USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1100 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 116 LYS NZ :NH3+ 169:sc= 0.892 (180deg=-0.13) USER MOD Set 1.2: A 131 SER OG : rot 180:sc= 0.775 USER MOD Set 2.1: A 84 ASN : amide:sc= 0.715 K(o=2,f=-5.8) USER MOD Set 2.2: A 87 LYS NZ :NH3+ 138:sc= 1.24 (180deg=0) USER MOD Set 3.1: A 83 SER OG : rot -58:sc= 0.0906 USER MOD Set 3.2: A 96 TYR OH : rot -151:sc= 1.23 USER MOD Set 4.1: A 77 HIS : no HD1:sc= -0.22 X(o=0.32,f=0.4) USER MOD Set 4.2: A 81 THR OG1 : rot 76:sc= 0.536 USER MOD Set 5.1: A 48 ASN : amide:sc= -0.413 K(o=-1.9,f=-8.4!) USER MOD Set 5.2: A 50 HIS :FLIP no HD1:sc= -1.47 F(o=-2.7!,f=-1.9) USER MOD Set 6.1: A 40 TYR OH : rot 180:sc= 0.498 USER MOD Set 6.2: A 110 THR OG1 : rot 75:sc= 0.266 USER MOD Set 7.1: A 18 LYS NZ :NH3+ -168:sc= 1.39 (180deg=-0.0276!) USER MOD Set 7.2: A 24 ASN : amide:sc= -0.107 K(o=1.3,f=-7.1!) USER MOD Single : A 8 GLN : amide:sc= -0.106 K(o=-0.11,f=-1.8!) USER MOD Single : A 13 LYS NZ :NH3+ 165:sc= 1.84 (180deg=1.77) USER MOD Single : A 14 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.5) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 25 TYR OH : rot 32:sc= 0.677 USER MOD Single : A 26 GLN : amide:sc= -0.305 X(o=-0.3,f=-0.19) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 76:sc= 1.24 USER MOD Single : A 33 LYS NZ :NH3+ -110:sc= -0.911 (180deg=-2.94!) USER MOD Single : A 35 HIS : no HD1:sc= 0.371 K(o=0.37,f=-2.8!) USER MOD Single : A 36 ASN : amide:sc= -0.86 K(o=-0.86,f=-4.5!) USER MOD Single : A 38 SER OG : rot -130:sc= -0.286 USER MOD Single : A 39 HIS : no HD1:sc= -0.0533 X(o=-0.053,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -161:sc= -0.103 (180deg=-0.547) USER MOD Single : A 55 ASN : amide:sc= -0.265 K(o=-0.27,f=-0.93) USER MOD Single : A 57 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.54) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.785 K(o=0.79,f=-0.25) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.161) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -131:sc= 1.25 (180deg=-0.451) USER MOD Single : A 82 THR OG1 : rot 86:sc= 1.24 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 76:sc= 0.969 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0534 USER MOD Single : A 94 GLN : amide:sc= 1.14 K(o=1.1,f=-0.061) USER MOD Single : A 99 ASN : amide:sc= -0.0203 K(o=-0.02,f=-1.1) USER MOD Single : A 102 LYS NZ :NH3+ 158:sc= -1.11 (180deg=-1.77!) USER MOD Single : A 111 ASN : amide:sc= -2.04 K(o=-2,f=-10!) USER MOD Single : A 113 HIS : no HE2:sc= 0.995 K(o=0.99,f=-5.8!) USER MOD Single : A 115 GLN : amide:sc= -0.181 K(o=-0.18,f=-1.3) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot -109:sc= 1.28 USER MOD Single : A 120 TYR OH : rot 108:sc= 0.00782 USER MOD Single : A 121 THR OG1 : rot 55:sc= 0.241 USER MOD Single : A 124 ASN : amide:sc= -0.411 X(o=-0.41,f=-0.13) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot -105:sc= -0.776 USER MOD Single : A 133 GLN :FLIP amide:sc= -0.595 F(o=-4.2!,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 7 -6.492 14.699 -15.536 1.00 0.00 N ATOM 2 CA ASP A 7 -6.085 13.353 -15.179 1.00 0.00 C ATOM 3 C ASP A 7 -5.800 13.271 -13.691 1.00 0.00 C ATOM 4 O ASP A 7 -4.668 13.478 -13.255 1.00 0.00 O ATOM 5 CB ASP A 7 -4.849 12.911 -15.973 1.00 0.00 C ATOM 6 CG ASP A 7 -5.148 12.645 -17.434 1.00 0.00 C ATOM 7 OD1 ASP A 7 -5.082 13.592 -18.249 1.00 0.00 O ATOM 8 OD2 ASP A 7 -5.440 11.479 -17.781 1.00 0.00 O ATOM 0 HA ASP A 7 -6.905 12.680 -15.429 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.082 13.682 -15.899 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.438 12.008 -15.522 1.00 0.00 H new ATOM 13 N GLN A 8 -6.842 12.981 -12.917 1.00 0.00 N ATOM 14 CA GLN A 8 -6.722 12.809 -11.471 1.00 0.00 C ATOM 15 C GLN A 8 -5.678 11.740 -11.149 1.00 0.00 C ATOM 16 O GLN A 8 -5.081 11.729 -10.070 1.00 0.00 O ATOM 17 CB GLN A 8 -8.076 12.412 -10.882 1.00 0.00 C ATOM 18 CG GLN A 8 -8.090 12.349 -9.366 1.00 0.00 C ATOM 19 CD GLN A 8 -7.988 13.717 -8.722 1.00 0.00 C ATOM 20 OE1 GLN A 8 -6.897 14.213 -8.454 1.00 0.00 O ATOM 21 NE2 GLN A 8 -9.129 14.329 -8.457 1.00 0.00 N ATOM 0 H GLN A 8 -7.790 12.859 -13.272 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.403 13.753 -11.029 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.829 13.127 -11.214 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.363 11.439 -11.279 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.008 11.864 -9.035 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.261 11.729 -9.025 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.015 13.883 -8.696 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.124 15.248 -8.014 1.00 0.00 H new ATOM 30 N VAL A 9 -5.466 10.853 -12.112 1.00 0.00 N ATOM 31 CA VAL A 9 -4.478 9.795 -11.998 1.00 0.00 C ATOM 32 C VAL A 9 -3.091 10.374 -11.731 1.00 0.00 C ATOM 33 O VAL A 9 -2.337 9.834 -10.925 1.00 0.00 O ATOM 34 CB VAL A 9 -4.436 8.936 -13.280 1.00 0.00 C ATOM 35 CG1 VAL A 9 -3.443 7.790 -13.137 1.00 0.00 C ATOM 36 CG2 VAL A 9 -5.823 8.411 -13.615 1.00 0.00 C ATOM 0 H VAL A 9 -5.977 10.849 -12.995 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.770 9.164 -11.158 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.100 9.568 -14.102 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.433 7.201 -14.054 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.447 8.193 -12.954 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.738 7.156 -12.301 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.775 7.808 -14.522 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.189 7.799 -12.791 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.501 9.250 -13.773 1.00 0.00 H new ATOM 46 N VAL A 10 -2.772 11.489 -12.383 1.00 0.00 N ATOM 47 CA VAL A 10 -1.456 12.104 -12.238 1.00 0.00 C ATOM 48 C VAL A 10 -1.238 12.587 -10.806 1.00 0.00 C ATOM 49 O VAL A 10 -0.155 12.424 -10.245 1.00 0.00 O ATOM 50 CB VAL A 10 -1.275 13.286 -13.217 1.00 0.00 C ATOM 51 CG1 VAL A 10 0.087 13.946 -13.032 1.00 0.00 C ATOM 52 CG2 VAL A 10 -1.448 12.818 -14.652 1.00 0.00 C ATOM 0 H VAL A 10 -3.403 11.983 -13.014 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.714 11.341 -12.475 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.043 14.028 -12.997 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.188 14.774 -13.733 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.174 14.321 -12.012 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.874 13.215 -13.218 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.317 13.663 -15.328 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.704 12.054 -14.878 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.447 12.401 -14.781 1.00 0.00 H new ATOM 62 N ILE A 11 -2.283 13.152 -10.213 1.00 0.00 N ATOM 63 CA ILE A 11 -2.202 13.685 -8.860 1.00 0.00 C ATOM 64 C ILE A 11 -1.887 12.574 -7.861 1.00 0.00 C ATOM 65 O ILE A 11 -0.878 12.631 -7.154 1.00 0.00 O ATOM 66 CB ILE A 11 -3.514 14.407 -8.439 1.00 0.00 C ATOM 67 CG1 ILE A 11 -3.720 15.705 -9.235 1.00 0.00 C ATOM 68 CG2 ILE A 11 -3.507 14.715 -6.947 1.00 0.00 C ATOM 69 CD1 ILE A 11 -4.151 15.502 -10.673 1.00 0.00 C ATOM 0 H ILE A 11 -3.199 13.253 -10.650 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.395 14.418 -8.855 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.341 13.732 -8.660 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.470 16.312 -8.727 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.790 16.273 -9.225 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.434 15.220 -6.675 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.421 13.786 -6.384 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.660 15.360 -6.713 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.272 16.471 -11.157 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.393 14.925 -11.202 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.099 14.964 -10.696 1.00 0.00 H new ATOM 81 N PHE A 12 -2.732 11.555 -7.828 1.00 0.00 N ATOM 82 CA PHE A 12 -2.577 10.472 -6.868 1.00 0.00 C ATOM 83 C PHE A 12 -1.318 9.655 -7.141 1.00 0.00 C ATOM 84 O PHE A 12 -0.602 9.289 -6.208 1.00 0.00 O ATOM 85 CB PHE A 12 -3.801 9.561 -6.880 1.00 0.00 C ATOM 86 CG PHE A 12 -4.994 10.130 -6.166 1.00 0.00 C ATOM 87 CD1 PHE A 12 -5.871 10.985 -6.814 1.00 0.00 C ATOM 88 CD2 PHE A 12 -5.241 9.797 -4.845 1.00 0.00 C ATOM 89 CE1 PHE A 12 -6.974 11.497 -6.153 1.00 0.00 C ATOM 90 CE2 PHE A 12 -6.339 10.308 -4.181 1.00 0.00 C ATOM 91 CZ PHE A 12 -7.206 11.158 -4.838 1.00 0.00 C ATOM 0 H PHE A 12 -3.531 11.455 -8.454 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.480 10.925 -5.881 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.075 9.352 -7.914 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.536 8.608 -6.421 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.692 11.254 -7.844 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.567 9.130 -4.328 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.652 12.162 -6.668 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.519 10.043 -3.150 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.066 11.557 -4.321 1.00 0.00 H new ATOM 101 N LYS A 13 -1.038 9.379 -8.412 1.00 0.00 N ATOM 102 CA LYS A 13 0.142 8.601 -8.772 1.00 0.00 C ATOM 103 C LYS A 13 1.409 9.310 -8.314 1.00 0.00 C ATOM 104 O LYS A 13 2.349 8.671 -7.839 1.00 0.00 O ATOM 105 CB LYS A 13 0.202 8.349 -10.284 1.00 0.00 C ATOM 106 CG LYS A 13 1.484 7.659 -10.730 1.00 0.00 C ATOM 107 CD LYS A 13 1.520 7.437 -12.231 1.00 0.00 C ATOM 108 CE LYS A 13 2.890 6.954 -12.684 1.00 0.00 C ATOM 109 NZ LYS A 13 3.319 5.729 -11.955 1.00 0.00 N ATOM 0 H LYS A 13 -1.607 9.680 -9.203 1.00 0.00 H new ATOM 0 HA LYS A 13 0.070 7.638 -8.267 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.652 7.738 -10.578 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.109 9.300 -10.808 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.342 8.262 -10.432 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.576 6.700 -10.220 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.763 6.705 -12.511 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.271 8.366 -12.745 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.866 6.749 -13.754 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.623 7.745 -12.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.119 5.290 -12.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.611 5.984 -10.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.527 5.056 -11.911 1.00 0.00 H new ATOM 123 N GLN A 14 1.418 10.632 -8.443 1.00 0.00 N ATOM 124 CA GLN A 14 2.561 11.434 -8.032 1.00 0.00 C ATOM 125 C GLN A 14 2.837 11.229 -6.547 1.00 0.00 C ATOM 126 O GLN A 14 3.988 11.105 -6.130 1.00 0.00 O ATOM 127 CB GLN A 14 2.296 12.914 -8.313 1.00 0.00 C ATOM 128 CG GLN A 14 3.556 13.752 -8.437 1.00 0.00 C ATOM 129 CD GLN A 14 4.417 13.316 -9.608 1.00 0.00 C ATOM 130 OE1 GLN A 14 5.325 12.497 -9.460 1.00 0.00 O ATOM 131 NE2 GLN A 14 4.122 13.847 -10.784 1.00 0.00 N ATOM 0 H GLN A 14 0.643 11.171 -8.830 1.00 0.00 H new ATOM 0 HA GLN A 14 3.434 11.117 -8.603 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.721 13.001 -9.235 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.678 13.321 -7.512 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.283 14.800 -8.558 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.133 13.677 -7.515 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.362 14.522 -10.862 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.655 13.581 -11.612 1.00 0.00 H new ATOM 140 N ILE A 15 1.765 11.177 -5.763 1.00 0.00 N ATOM 141 CA ILE A 15 1.871 10.969 -4.323 1.00 0.00 C ATOM 142 C ILE A 15 2.463 9.596 -4.020 1.00 0.00 C ATOM 143 O ILE A 15 3.406 9.470 -3.234 1.00 0.00 O ATOM 144 CB ILE A 15 0.488 11.084 -3.639 1.00 0.00 C ATOM 145 CG1 ILE A 15 -0.232 12.359 -4.087 1.00 0.00 C ATOM 146 CG2 ILE A 15 0.644 11.070 -2.126 1.00 0.00 C ATOM 147 CD1 ILE A 15 -1.656 12.466 -3.582 1.00 0.00 C ATOM 0 H ILE A 15 0.808 11.277 -6.103 1.00 0.00 H new ATOM 0 HA ILE A 15 2.528 11.745 -3.930 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.115 10.226 -3.937 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.333 13.225 -3.741 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.239 12.398 -5.176 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.337 11.152 -1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.117 10.137 -1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.265 11.911 -1.816 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.100 13.395 -3.940 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.237 11.620 -3.950 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.657 12.460 -2.492 1.00 0.00 H new ATOM 159 N PHE A 16 1.916 8.574 -4.668 1.00 0.00 N ATOM 160 CA PHE A 16 2.345 7.199 -4.442 1.00 0.00 C ATOM 161 C PHE A 16 3.785 6.969 -4.893 1.00 0.00 C ATOM 162 O PHE A 16 4.579 6.387 -4.155 1.00 0.00 O ATOM 163 CB PHE A 16 1.410 6.220 -5.155 1.00 0.00 C ATOM 164 CG PHE A 16 0.135 5.949 -4.403 1.00 0.00 C ATOM 165 CD1 PHE A 16 -0.903 6.864 -4.413 1.00 0.00 C ATOM 166 CD2 PHE A 16 -0.018 4.778 -3.681 1.00 0.00 C ATOM 167 CE1 PHE A 16 -2.073 6.618 -3.718 1.00 0.00 C ATOM 168 CE2 PHE A 16 -1.183 4.524 -2.983 1.00 0.00 C ATOM 169 CZ PHE A 16 -2.211 5.445 -3.001 1.00 0.00 C ATOM 0 H PHE A 16 1.171 8.673 -5.357 1.00 0.00 H new ATOM 0 HA PHE A 16 2.300 7.020 -3.368 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.164 6.617 -6.140 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.936 5.278 -5.314 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.798 7.783 -4.971 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.783 4.054 -3.663 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.876 7.340 -3.736 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.289 3.606 -2.424 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.122 5.249 -2.455 1.00 0.00 H new ATOM 179 N ASP A 17 4.121 7.420 -6.096 1.00 0.00 N ATOM 180 CA ASP A 17 5.472 7.230 -6.626 1.00 0.00 C ATOM 181 C ASP A 17 6.498 8.010 -5.812 1.00 0.00 C ATOM 182 O ASP A 17 7.651 7.595 -5.694 1.00 0.00 O ATOM 183 CB ASP A 17 5.550 7.630 -8.103 1.00 0.00 C ATOM 184 CG ASP A 17 5.287 6.463 -9.038 1.00 0.00 C ATOM 185 OD1 ASP A 17 6.239 5.707 -9.331 1.00 0.00 O ATOM 186 OD2 ASP A 17 4.134 6.298 -9.489 1.00 0.00 O ATOM 0 H ASP A 17 3.485 7.916 -6.721 1.00 0.00 H new ATOM 0 HA ASP A 17 5.706 6.168 -6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.825 8.420 -8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.537 8.043 -8.312 1.00 0.00 H new ATOM 191 N LYS A 18 6.071 9.136 -5.248 1.00 0.00 N ATOM 192 CA LYS A 18 6.941 9.952 -4.409 1.00 0.00 C ATOM 193 C LYS A 18 7.341 9.190 -3.151 1.00 0.00 C ATOM 194 O LYS A 18 8.524 9.001 -2.881 1.00 0.00 O ATOM 195 CB LYS A 18 6.237 11.263 -4.032 1.00 0.00 C ATOM 196 CG LYS A 18 7.097 12.253 -3.248 1.00 0.00 C ATOM 197 CD LYS A 18 8.338 12.665 -4.026 1.00 0.00 C ATOM 198 CE LYS A 18 8.877 14.015 -3.563 1.00 0.00 C ATOM 199 NZ LYS A 18 9.271 14.026 -2.125 1.00 0.00 N ATOM 0 H LYS A 18 5.126 9.504 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 18 7.844 10.186 -4.973 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.891 11.748 -4.945 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.352 11.026 -3.442 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.507 13.138 -3.010 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.395 11.804 -2.300 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.110 11.905 -3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.101 12.714 -5.089 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.740 14.283 -4.172 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.118 14.779 -3.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.434 15.006 -1.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.511 13.606 -1.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.144 13.474 -2.000 1.00 0.00 H new ATOM 213 N VAL A 19 6.349 8.720 -2.400 1.00 0.00 N ATOM 214 CA VAL A 19 6.604 8.065 -1.121 1.00 0.00 C ATOM 215 C VAL A 19 7.373 6.750 -1.301 1.00 0.00 C ATOM 216 O VAL A 19 8.118 6.342 -0.413 1.00 0.00 O ATOM 217 CB VAL A 19 5.290 7.812 -0.340 1.00 0.00 C ATOM 218 CG1 VAL A 19 4.391 6.833 -1.074 1.00 0.00 C ATOM 219 CG2 VAL A 19 5.581 7.322 1.069 1.00 0.00 C ATOM 0 H VAL A 19 5.363 8.780 -2.654 1.00 0.00 H new ATOM 0 HA VAL A 19 7.225 8.746 -0.538 1.00 0.00 H new ATOM 0 HB VAL A 19 4.761 8.762 -0.269 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.478 6.677 -0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.139 7.236 -2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.910 5.882 -1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.642 7.152 1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.144 6.390 1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.165 8.072 1.602 1.00 0.00 H new ATOM 229 N ARG A 20 7.215 6.115 -2.464 1.00 0.00 N ATOM 230 CA ARG A 20 7.895 4.852 -2.756 1.00 0.00 C ATOM 231 C ARG A 20 9.407 4.963 -2.565 1.00 0.00 C ATOM 232 O ARG A 20 10.030 4.081 -1.973 1.00 0.00 O ATOM 233 CB ARG A 20 7.586 4.392 -4.185 1.00 0.00 C ATOM 234 CG ARG A 20 6.184 3.828 -4.363 1.00 0.00 C ATOM 235 CD ARG A 20 5.841 3.605 -5.830 1.00 0.00 C ATOM 236 NE ARG A 20 6.783 2.706 -6.495 1.00 0.00 N ATOM 237 CZ ARG A 20 6.449 1.851 -7.464 1.00 0.00 C ATOM 238 NH1 ARG A 20 5.190 1.745 -7.872 1.00 0.00 N ATOM 239 NH2 ARG A 20 7.378 1.098 -8.030 1.00 0.00 N ATOM 0 H ARG A 20 6.621 6.456 -3.220 1.00 0.00 H new ATOM 0 HA ARG A 20 7.519 4.113 -2.049 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.716 5.235 -4.864 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.312 3.633 -4.477 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.102 2.884 -3.824 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.459 4.512 -3.921 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.835 3.193 -5.906 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.832 4.564 -6.348 1.00 0.00 H new ATOM 0 HE ARG A 20 7.759 2.734 -6.199 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.465 2.321 -7.444 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.948 1.088 -8.613 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.349 1.171 -7.726 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.123 0.444 -8.771 1.00 0.00 H new ATOM 253 N ASN A 21 9.991 6.046 -3.059 1.00 0.00 N ATOM 254 CA ASN A 21 11.439 6.223 -2.983 1.00 0.00 C ATOM 255 C ASN A 21 11.822 7.224 -1.898 1.00 0.00 C ATOM 256 O ASN A 21 12.841 7.064 -1.224 1.00 0.00 O ATOM 257 CB ASN A 21 11.991 6.703 -4.332 1.00 0.00 C ATOM 258 CG ASN A 21 11.814 5.687 -5.446 1.00 0.00 C ATOM 259 OD1 ASN A 21 11.821 4.477 -5.215 1.00 0.00 O ATOM 260 ND2 ASN A 21 11.658 6.173 -6.669 1.00 0.00 N ATOM 0 H ASN A 21 9.492 6.811 -3.513 1.00 0.00 H new ATOM 0 HA ASN A 21 11.873 5.255 -2.732 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.492 7.631 -4.612 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.051 6.932 -4.223 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.538 5.538 -7.459 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.658 7.182 -6.821 1.00 0.00 H new ATOM 267 N ASP A 22 10.992 8.241 -1.723 1.00 0.00 N ATOM 268 CA ASP A 22 11.310 9.358 -0.835 1.00 0.00 C ATOM 269 C ASP A 22 11.066 9.014 0.633 1.00 0.00 C ATOM 270 O ASP A 22 11.767 9.519 1.512 1.00 0.00 O ATOM 271 CB ASP A 22 10.463 10.571 -1.223 1.00 0.00 C ATOM 272 CG ASP A 22 10.830 11.837 -0.472 1.00 0.00 C ATOM 273 OD1 ASP A 22 10.467 11.969 0.711 1.00 0.00 O ATOM 274 OD2 ASP A 22 11.446 12.731 -1.087 1.00 0.00 O ATOM 0 H ASP A 22 10.086 8.319 -2.186 1.00 0.00 H new ATOM 0 HA ASP A 22 12.371 9.582 -0.949 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.570 10.750 -2.293 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.413 10.343 -1.041 1.00 0.00 H new ATOM 279 N LEU A 23 10.087 8.138 0.883 1.00 0.00 N ATOM 280 CA LEU A 23 9.585 7.882 2.239 1.00 0.00 C ATOM 281 C LEU A 23 8.852 9.118 2.749 1.00 0.00 C ATOM 282 O LEU A 23 8.890 9.450 3.935 1.00 0.00 O ATOM 283 CB LEU A 23 10.718 7.484 3.196 1.00 0.00 C ATOM 284 CG LEU A 23 11.363 6.127 2.905 1.00 0.00 C ATOM 285 CD1 LEU A 23 12.478 5.832 3.892 1.00 0.00 C ATOM 286 CD2 LEU A 23 10.320 5.027 2.952 1.00 0.00 C ATOM 0 H LEU A 23 9.623 7.590 0.158 1.00 0.00 H new ATOM 0 HA LEU A 23 8.892 7.042 2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.491 8.252 3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.327 7.473 4.213 1.00 0.00 H new ATOM 0 HG LEU A 23 11.793 6.165 1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.919 4.862 3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.243 6.605 3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.073 5.817 4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.793 4.068 2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.865 4.999 3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.551 5.223 2.205 1.00 0.00 H new ATOM 298 N ASN A 24 8.155 9.769 1.826 1.00 0.00 N ATOM 299 CA ASN A 24 7.428 11.004 2.100 1.00 0.00 C ATOM 300 C ASN A 24 6.097 10.701 2.795 1.00 0.00 C ATOM 301 O ASN A 24 5.028 11.080 2.312 1.00 0.00 O ATOM 302 CB ASN A 24 7.172 11.737 0.777 1.00 0.00 C ATOM 303 CG ASN A 24 7.104 13.250 0.912 1.00 0.00 C ATOM 304 OD1 ASN A 24 7.406 13.970 -0.041 1.00 0.00 O ATOM 305 ND2 ASN A 24 6.732 13.746 2.085 1.00 0.00 N ATOM 0 H ASN A 24 8.077 9.453 0.859 1.00 0.00 H new ATOM 0 HA ASN A 24 8.024 11.632 2.762 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.963 11.480 0.072 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.236 11.378 0.350 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.689 14.756 2.221 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.489 13.117 2.851 1.00 0.00 H new ATOM 312 N TYR A 25 6.177 10.030 3.937 1.00 0.00 N ATOM 313 CA TYR A 25 4.988 9.566 4.645 1.00 0.00 C ATOM 314 C TYR A 25 4.104 10.715 5.122 1.00 0.00 C ATOM 315 O TYR A 25 2.882 10.593 5.116 1.00 0.00 O ATOM 316 CB TYR A 25 5.374 8.689 5.839 1.00 0.00 C ATOM 317 CG TYR A 25 5.956 7.347 5.452 1.00 0.00 C ATOM 318 CD1 TYR A 25 5.162 6.366 4.873 1.00 0.00 C ATOM 319 CD2 TYR A 25 7.296 7.061 5.671 1.00 0.00 C ATOM 320 CE1 TYR A 25 5.688 5.135 4.525 1.00 0.00 C ATOM 321 CE2 TYR A 25 7.828 5.835 5.326 1.00 0.00 C ATOM 322 CZ TYR A 25 7.020 4.877 4.753 1.00 0.00 C ATOM 323 OH TYR A 25 7.548 3.655 4.408 1.00 0.00 O ATOM 0 H TYR A 25 7.057 9.793 4.396 1.00 0.00 H new ATOM 0 HA TYR A 25 4.413 8.979 3.929 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.099 9.225 6.452 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.492 8.526 6.458 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.117 6.567 4.691 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.933 7.810 6.119 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.057 4.381 4.077 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.873 5.627 5.504 1.00 0.00 H new ATOM 0 HH TYR A 25 7.081 3.308 3.620 1.00 0.00 H new ATOM 333 N GLN A 26 4.713 11.827 5.521 1.00 0.00 N ATOM 334 CA GLN A 26 3.955 12.945 6.079 1.00 0.00 C ATOM 335 C GLN A 26 2.944 13.484 5.074 1.00 0.00 C ATOM 336 O GLN A 26 1.755 13.606 5.377 1.00 0.00 O ATOM 337 CB GLN A 26 4.893 14.064 6.530 1.00 0.00 C ATOM 338 CG GLN A 26 5.734 13.711 7.748 1.00 0.00 C ATOM 339 CD GLN A 26 4.887 13.314 8.943 1.00 0.00 C ATOM 340 OE1 GLN A 26 4.446 14.167 9.715 1.00 0.00 O ATOM 341 NE2 GLN A 26 4.680 12.020 9.123 1.00 0.00 N ATOM 0 H GLN A 26 5.720 11.979 5.470 1.00 0.00 H new ATOM 0 HA GLN A 26 3.410 12.572 6.946 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.557 14.323 5.705 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.302 14.952 6.754 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.407 12.892 7.496 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.357 14.565 8.015 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.062 11.345 8.460 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.138 11.697 9.924 1.00 0.00 H new ATOM 350 N TRP A 27 3.413 13.791 3.874 1.00 0.00 N ATOM 351 CA TRP A 27 2.549 14.332 2.832 1.00 0.00 C ATOM 352 C TRP A 27 1.616 13.244 2.296 1.00 0.00 C ATOM 353 O TRP A 27 0.440 13.498 2.031 1.00 0.00 O ATOM 354 CB TRP A 27 3.405 14.918 1.707 1.00 0.00 C ATOM 355 CG TRP A 27 2.630 15.674 0.671 1.00 0.00 C ATOM 356 CD1 TRP A 27 1.953 16.847 0.842 1.00 0.00 C ATOM 357 CD2 TRP A 27 2.468 15.318 -0.705 1.00 0.00 C ATOM 358 NE1 TRP A 27 1.380 17.239 -0.343 1.00 0.00 N ATOM 359 CE2 TRP A 27 1.680 16.315 -1.308 1.00 0.00 C ATOM 360 CE3 TRP A 27 2.915 14.250 -1.485 1.00 0.00 C ATOM 361 CZ2 TRP A 27 1.330 16.275 -2.656 1.00 0.00 C ATOM 362 CZ3 TRP A 27 2.567 14.210 -2.820 1.00 0.00 C ATOM 363 CH2 TRP A 27 1.783 15.217 -3.394 1.00 0.00 C ATOM 0 H TRP A 27 4.388 13.675 3.596 1.00 0.00 H new ATOM 0 HA TRP A 27 1.933 15.126 3.253 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.151 15.583 2.143 1.00 0.00 H new ATOM 0 HB3 TRP A 27 3.947 14.108 1.219 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.879 17.388 1.774 1.00 0.00 H new ATOM 0 HE1 TRP A 27 0.822 18.081 -0.482 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.522 13.469 -1.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 0.724 17.050 -3.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 2.906 13.387 -3.432 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.530 15.157 -4.442 1.00 0.00 H new ATOM 374 N PHE A 28 2.149 12.031 2.176 1.00 0.00 N ATOM 375 CA PHE A 28 1.390 10.882 1.682 1.00 0.00 C ATOM 376 C PHE A 28 0.157 10.616 2.556 1.00 0.00 C ATOM 377 O PHE A 28 -0.966 10.546 2.058 1.00 0.00 O ATOM 378 CB PHE A 28 2.308 9.656 1.654 1.00 0.00 C ATOM 379 CG PHE A 28 1.680 8.401 1.108 1.00 0.00 C ATOM 380 CD1 PHE A 28 1.225 8.344 -0.200 1.00 0.00 C ATOM 381 CD2 PHE A 28 1.570 7.268 1.899 1.00 0.00 C ATOM 382 CE1 PHE A 28 0.672 7.184 -0.708 1.00 0.00 C ATOM 383 CE2 PHE A 28 1.015 6.105 1.396 1.00 0.00 C ATOM 384 CZ PHE A 28 0.566 6.064 0.091 1.00 0.00 C ATOM 0 H PHE A 28 3.116 11.816 2.417 1.00 0.00 H new ATOM 0 HA PHE A 28 1.033 11.095 0.674 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.188 9.894 1.056 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.656 9.458 2.668 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.304 9.217 -0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.922 7.294 2.920 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.323 7.154 -1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.933 5.230 2.024 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.133 5.157 -0.304 1.00 0.00 H new ATOM 394 N TYR A 29 0.378 10.501 3.864 1.00 0.00 N ATOM 395 CA TYR A 29 -0.700 10.221 4.814 1.00 0.00 C ATOM 396 C TYR A 29 -1.698 11.374 4.890 1.00 0.00 C ATOM 397 O TYR A 29 -2.858 11.182 5.267 1.00 0.00 O ATOM 398 CB TYR A 29 -0.127 9.950 6.212 1.00 0.00 C ATOM 399 CG TYR A 29 0.400 8.546 6.416 1.00 0.00 C ATOM 400 CD1 TYR A 29 1.197 7.925 5.459 1.00 0.00 C ATOM 401 CD2 TYR A 29 0.096 7.841 7.572 1.00 0.00 C ATOM 402 CE1 TYR A 29 1.673 6.644 5.653 1.00 0.00 C ATOM 403 CE2 TYR A 29 0.570 6.559 7.772 1.00 0.00 C ATOM 404 CZ TYR A 29 1.359 5.966 6.812 1.00 0.00 C ATOM 405 OH TYR A 29 1.833 4.691 7.009 1.00 0.00 O ATOM 0 H TYR A 29 1.298 10.598 4.293 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.225 9.335 4.456 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.679 10.658 6.403 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.903 10.144 6.952 1.00 0.00 H new ATOM 0 HD1 TYR A 29 1.447 8.453 4.551 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.522 8.303 8.328 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.289 6.175 4.900 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.323 6.024 8.677 1.00 0.00 H new ATOM 0 HH TYR A 29 1.521 4.356 7.876 1.00 0.00 H new ATOM 415 N SER A 30 -1.250 12.568 4.538 1.00 0.00 N ATOM 416 CA SER A 30 -2.107 13.740 4.599 1.00 0.00 C ATOM 417 C SER A 30 -3.039 13.801 3.394 1.00 0.00 C ATOM 418 O SER A 30 -4.245 13.982 3.552 1.00 0.00 O ATOM 419 CB SER A 30 -1.263 15.012 4.701 1.00 0.00 C ATOM 420 OG SER A 30 -0.478 14.996 5.883 1.00 0.00 O ATOM 0 H SER A 30 -0.302 12.751 4.208 1.00 0.00 H new ATOM 0 HA SER A 30 -2.726 13.664 5.493 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.615 15.096 3.829 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.913 15.887 4.701 1.00 0.00 H new ATOM 0 HG SER A 30 0.281 14.387 5.764 1.00 0.00 H new ATOM 426 N GLU A 31 -2.487 13.620 2.199 1.00 0.00 N ATOM 427 CA GLU A 31 -3.292 13.655 0.983 1.00 0.00 C ATOM 428 C GLU A 31 -4.249 12.468 0.916 1.00 0.00 C ATOM 429 O GLU A 31 -5.364 12.590 0.399 1.00 0.00 O ATOM 430 CB GLU A 31 -2.403 13.697 -0.256 1.00 0.00 C ATOM 431 CG GLU A 31 -1.814 15.072 -0.521 1.00 0.00 C ATOM 432 CD GLU A 31 -2.887 16.129 -0.708 1.00 0.00 C ATOM 433 OE1 GLU A 31 -3.426 16.242 -1.829 1.00 0.00 O ATOM 434 OE2 GLU A 31 -3.202 16.847 0.265 1.00 0.00 O ATOM 0 H GLU A 31 -1.493 13.449 2.046 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.889 14.566 1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.592 12.978 -0.139 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.984 13.384 -1.123 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.168 15.355 0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.187 15.031 -1.412 1.00 0.00 H new ATOM 441 N LEU A 32 -3.827 11.323 1.440 1.00 0.00 N ATOM 442 CA LEU A 32 -4.715 10.173 1.534 1.00 0.00 C ATOM 443 C LEU A 32 -5.894 10.500 2.437 1.00 0.00 C ATOM 444 O LEU A 32 -7.040 10.284 2.075 1.00 0.00 O ATOM 445 CB LEU A 32 -3.980 8.941 2.066 1.00 0.00 C ATOM 446 CG LEU A 32 -2.957 8.321 1.117 1.00 0.00 C ATOM 447 CD1 LEU A 32 -2.350 7.078 1.745 1.00 0.00 C ATOM 448 CD2 LEU A 32 -3.606 7.984 -0.218 1.00 0.00 C ATOM 0 H LEU A 32 -2.886 11.168 1.802 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.075 9.945 0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.472 9.215 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.719 8.181 2.321 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.162 9.044 0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.622 6.643 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.855 7.346 2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.137 6.351 1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.863 7.543 -0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.418 7.274 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.003 8.893 -0.670 1.00 0.00 H new ATOM 460 N LYS A 33 -5.599 11.068 3.596 1.00 0.00 N ATOM 461 CA LYS A 33 -6.628 11.425 4.569 1.00 0.00 C ATOM 462 C LYS A 33 -7.481 12.591 4.055 1.00 0.00 C ATOM 463 O LYS A 33 -8.535 12.901 4.607 1.00 0.00 O ATOM 464 CB LYS A 33 -5.949 11.804 5.888 1.00 0.00 C ATOM 465 CG LYS A 33 -6.897 11.981 7.063 1.00 0.00 C ATOM 466 CD LYS A 33 -6.188 12.536 8.297 1.00 0.00 C ATOM 467 CE LYS A 33 -5.117 11.589 8.840 1.00 0.00 C ATOM 468 NZ LYS A 33 -3.842 11.653 8.065 1.00 0.00 N ATOM 0 H LYS A 33 -4.649 11.294 3.890 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.289 10.572 4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.220 11.034 6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.395 12.732 5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.706 12.654 6.777 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.352 11.021 7.308 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.728 13.492 8.047 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.924 12.730 9.077 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.916 11.835 9.883 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.498 10.568 8.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.717 10.771 7.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.876 12.457 7.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.044 11.776 8.720 1.00 0.00 H new ATOM 482 N ARG A 34 -7.009 13.238 2.999 1.00 0.00 N ATOM 483 CA ARG A 34 -7.693 14.389 2.433 1.00 0.00 C ATOM 484 C ARG A 34 -8.679 13.967 1.350 1.00 0.00 C ATOM 485 O ARG A 34 -9.828 14.409 1.335 1.00 0.00 O ATOM 486 CB ARG A 34 -6.674 15.357 1.838 1.00 0.00 C ATOM 487 CG ARG A 34 -7.270 16.683 1.399 1.00 0.00 C ATOM 488 CD ARG A 34 -7.620 17.548 2.596 1.00 0.00 C ATOM 489 NE ARG A 34 -6.915 18.823 2.561 1.00 0.00 N ATOM 490 CZ ARG A 34 -5.878 19.128 3.341 1.00 0.00 C ATOM 491 NH1 ARG A 34 -5.434 18.258 4.244 1.00 0.00 N ATOM 492 NH2 ARG A 34 -5.290 20.309 3.224 1.00 0.00 N ATOM 0 H ARG A 34 -6.149 12.982 2.515 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.247 14.879 3.234 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.894 15.547 2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.195 14.884 0.981 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.561 17.210 0.760 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.164 16.503 0.802 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.695 17.726 2.615 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.369 17.018 3.515 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.236 19.527 1.897 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.888 17.350 4.343 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.640 18.499 4.837 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.631 20.983 2.538 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.496 20.545 3.820 1.00 0.00 H new ATOM 506 N HIS A 35 -8.228 13.103 0.452 1.00 0.00 N ATOM 507 CA HIS A 35 -9.002 12.762 -0.733 1.00 0.00 C ATOM 508 C HIS A 35 -9.599 11.371 -0.596 1.00 0.00 C ATOM 509 O HIS A 35 -10.768 11.149 -0.914 1.00 0.00 O ATOM 510 CB HIS A 35 -8.132 12.826 -1.990 1.00 0.00 C ATOM 511 CG HIS A 35 -7.456 14.146 -2.205 1.00 0.00 C ATOM 512 ND1 HIS A 35 -8.028 15.183 -2.909 1.00 0.00 N ATOM 513 CD2 HIS A 35 -6.241 14.590 -1.809 1.00 0.00 C ATOM 514 CE1 HIS A 35 -7.193 16.207 -2.937 1.00 0.00 C ATOM 515 NE2 HIS A 35 -6.100 15.870 -2.275 1.00 0.00 N ATOM 0 H HIS A 35 -7.330 12.625 0.521 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.808 13.490 -0.827 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.372 12.047 -1.932 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.752 12.603 -2.858 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.515 14.037 -1.231 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.373 17.157 -3.419 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.284 16.466 -2.134 1.00 0.00 H new ATOM 524 N ASN A 36 -8.786 10.440 -0.122 1.00 0.00 N ATOM 525 CA ASN A 36 -9.236 9.075 0.116 1.00 0.00 C ATOM 526 C ASN A 36 -9.961 9.008 1.452 1.00 0.00 C ATOM 527 O ASN A 36 -9.385 8.647 2.467 1.00 0.00 O ATOM 528 CB ASN A 36 -8.053 8.100 0.122 1.00 0.00 C ATOM 529 CG ASN A 36 -8.475 6.668 0.393 1.00 0.00 C ATOM 530 OD1 ASN A 36 -9.531 6.224 -0.049 1.00 0.00 O ATOM 531 ND2 ASN A 36 -7.662 5.945 1.149 1.00 0.00 N ATOM 0 H ASN A 36 -7.806 10.605 0.107 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.912 8.787 -0.689 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.543 8.148 -0.840 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.334 8.412 0.880 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.905 4.982 1.383 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.793 6.351 1.497 1.00 0.00 H new ATOM 538 N VAL A 37 -11.211 9.424 1.449 1.00 0.00 N ATOM 539 CA VAL A 37 -12.022 9.428 2.662 1.00 0.00 C ATOM 540 C VAL A 37 -12.474 8.013 3.033 1.00 0.00 C ATOM 541 O VAL A 37 -12.862 7.748 4.175 1.00 0.00 O ATOM 542 CB VAL A 37 -13.247 10.356 2.493 1.00 0.00 C ATOM 543 CG1 VAL A 37 -14.040 10.472 3.788 1.00 0.00 C ATOM 544 CG2 VAL A 37 -12.803 11.731 2.010 1.00 0.00 C ATOM 0 H VAL A 37 -11.694 9.766 0.619 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.403 9.808 3.475 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.904 9.915 1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.894 11.132 3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.393 9.485 4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.401 10.882 4.570 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.675 12.375 1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -12.121 12.170 2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.295 11.633 1.051 1.00 0.00 H new ATOM 554 N SER A 38 -12.404 7.099 2.078 1.00 0.00 N ATOM 555 CA SER A 38 -12.851 5.735 2.312 1.00 0.00 C ATOM 556 C SER A 38 -11.672 4.754 2.393 1.00 0.00 C ATOM 557 O SER A 38 -11.167 4.472 3.484 1.00 0.00 O ATOM 558 CB SER A 38 -13.846 5.317 1.229 1.00 0.00 C ATOM 559 OG SER A 38 -14.957 6.202 1.195 1.00 0.00 O ATOM 0 H SER A 38 -12.045 7.275 1.140 1.00 0.00 H new ATOM 0 HA SER A 38 -13.353 5.704 3.279 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.351 5.310 0.258 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.191 4.301 1.419 1.00 0.00 H new ATOM 0 HG SER A 38 -15.789 5.684 1.210 1.00 0.00 H new ATOM 565 N HIS A 39 -11.217 4.249 1.245 1.00 0.00 N ATOM 566 CA HIS A 39 -10.158 3.240 1.220 1.00 0.00 C ATOM 567 C HIS A 39 -9.669 2.998 -0.206 1.00 0.00 C ATOM 568 O HIS A 39 -10.428 3.157 -1.161 1.00 0.00 O ATOM 569 CB HIS A 39 -10.658 1.918 1.837 1.00 0.00 C ATOM 570 CG HIS A 39 -11.742 1.232 1.052 1.00 0.00 C ATOM 571 ND1 HIS A 39 -13.085 1.402 1.300 1.00 0.00 N ATOM 572 CD2 HIS A 39 -11.663 0.347 0.031 1.00 0.00 C ATOM 573 CE1 HIS A 39 -13.782 0.654 0.468 1.00 0.00 C ATOM 574 NE2 HIS A 39 -12.944 0.000 -0.316 1.00 0.00 N ATOM 0 H HIS A 39 -11.563 4.521 0.325 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.323 3.614 1.813 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.813 1.237 1.937 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -11.027 2.118 2.843 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.756 -0.019 -0.427 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.859 0.587 0.433 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -13.205 -0.653 -1.055 1.00 0.00 H new ATOM 583 N TYR A 40 -8.409 2.607 -0.352 1.00 0.00 N ATOM 584 CA TYR A 40 -7.868 2.303 -1.669 1.00 0.00 C ATOM 585 C TYR A 40 -7.271 0.899 -1.697 1.00 0.00 C ATOM 586 O TYR A 40 -6.747 0.417 -0.687 1.00 0.00 O ATOM 587 CB TYR A 40 -6.821 3.345 -2.102 1.00 0.00 C ATOM 588 CG TYR A 40 -5.499 3.283 -1.363 1.00 0.00 C ATOM 589 CD1 TYR A 40 -4.471 2.457 -1.807 1.00 0.00 C ATOM 590 CD2 TYR A 40 -5.275 4.057 -0.234 1.00 0.00 C ATOM 591 CE1 TYR A 40 -3.261 2.404 -1.144 1.00 0.00 C ATOM 592 CE2 TYR A 40 -4.067 4.010 0.434 1.00 0.00 C ATOM 593 CZ TYR A 40 -3.064 3.182 -0.023 1.00 0.00 C ATOM 594 OH TYR A 40 -1.861 3.133 0.646 1.00 0.00 O ATOM 0 H TYR A 40 -7.749 2.494 0.417 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.692 2.343 -2.381 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.629 3.221 -3.168 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.246 4.340 -1.969 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.622 1.847 -2.685 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.058 4.707 0.129 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.474 1.757 -1.501 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.909 4.620 1.311 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.888 3.743 1.413 1.00 0.00 H new ATOM 604 N ILE A 41 -7.373 0.249 -2.846 1.00 0.00 N ATOM 605 CA ILE A 41 -6.828 -1.088 -3.031 1.00 0.00 C ATOM 606 C ILE A 41 -5.631 -1.043 -3.975 1.00 0.00 C ATOM 607 O ILE A 41 -5.760 -0.675 -5.141 1.00 0.00 O ATOM 608 CB ILE A 41 -7.877 -2.079 -3.603 1.00 0.00 C ATOM 609 CG1 ILE A 41 -9.103 -2.190 -2.688 1.00 0.00 C ATOM 610 CG2 ILE A 41 -7.254 -3.452 -3.809 1.00 0.00 C ATOM 611 CD1 ILE A 41 -10.122 -1.086 -2.883 1.00 0.00 C ATOM 0 H ILE A 41 -7.833 0.630 -3.673 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.524 -1.442 -2.046 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.209 -1.689 -4.565 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.587 -3.151 -2.862 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.770 -2.184 -1.650 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.003 -4.135 -4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.422 -3.373 -4.509 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.890 -3.833 -2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.957 -1.237 -2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.657 -0.121 -2.680 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.486 -1.104 -3.910 1.00 0.00 H new ATOM 623 N TYR A 42 -4.471 -1.403 -3.456 1.00 0.00 N ATOM 624 CA TYR A 42 -3.243 -1.418 -4.231 1.00 0.00 C ATOM 625 C TYR A 42 -2.884 -2.854 -4.607 1.00 0.00 C ATOM 626 O TYR A 42 -2.567 -3.668 -3.741 1.00 0.00 O ATOM 627 CB TYR A 42 -2.116 -0.787 -3.405 1.00 0.00 C ATOM 628 CG TYR A 42 -0.843 -0.494 -4.167 1.00 0.00 C ATOM 629 CD1 TYR A 42 0.038 -1.506 -4.529 1.00 0.00 C ATOM 630 CD2 TYR A 42 -0.513 0.811 -4.506 1.00 0.00 C ATOM 631 CE1 TYR A 42 1.205 -1.226 -5.212 1.00 0.00 C ATOM 632 CE2 TYR A 42 0.652 1.100 -5.185 1.00 0.00 C ATOM 633 CZ TYR A 42 1.508 0.081 -5.536 1.00 0.00 C ATOM 634 OH TYR A 42 2.671 0.368 -6.209 1.00 0.00 O ATOM 0 H TYR A 42 -4.353 -1.693 -2.485 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.381 -0.843 -5.147 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.483 0.143 -2.971 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.879 -1.453 -2.576 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.194 -2.529 -4.272 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -1.181 1.615 -4.233 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.876 -2.025 -5.491 1.00 0.00 H new ATOM 0 HE2 TYR A 42 0.892 2.122 -5.440 1.00 0.00 H new ATOM 0 HH TYR A 42 2.732 1.334 -6.360 1.00 0.00 H new ATOM 644 N TYR A 43 -2.956 -3.173 -5.887 1.00 0.00 N ATOM 645 CA TYR A 43 -2.573 -4.496 -6.357 1.00 0.00 C ATOM 646 C TYR A 43 -1.067 -4.560 -6.579 1.00 0.00 C ATOM 647 O TYR A 43 -0.535 -3.860 -7.440 1.00 0.00 O ATOM 648 CB TYR A 43 -3.296 -4.843 -7.662 1.00 0.00 C ATOM 649 CG TYR A 43 -4.802 -4.931 -7.538 1.00 0.00 C ATOM 650 CD1 TYR A 43 -5.410 -6.068 -7.027 1.00 0.00 C ATOM 651 CD2 TYR A 43 -5.613 -3.878 -7.945 1.00 0.00 C ATOM 652 CE1 TYR A 43 -6.785 -6.156 -6.923 1.00 0.00 C ATOM 653 CE2 TYR A 43 -6.988 -3.957 -7.841 1.00 0.00 C ATOM 654 CZ TYR A 43 -7.568 -5.098 -7.330 1.00 0.00 C ATOM 655 OH TYR A 43 -8.937 -5.183 -7.231 1.00 0.00 O ATOM 0 H TYR A 43 -3.275 -2.538 -6.619 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.859 -5.220 -5.594 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.049 -4.091 -8.411 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.918 -5.797 -8.030 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.799 -6.898 -6.705 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.161 -2.984 -8.349 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -7.243 -7.049 -6.525 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.605 -3.129 -8.158 1.00 0.00 H new ATOM 0 HH TYR A 43 -9.341 -4.353 -7.559 1.00 0.00 H new ATOM 665 N LEU A 44 -0.379 -5.388 -5.803 1.00 0.00 N ATOM 666 CA LEU A 44 1.059 -5.556 -5.975 1.00 0.00 C ATOM 667 C LEU A 44 1.355 -6.278 -7.289 1.00 0.00 C ATOM 668 O LEU A 44 0.492 -6.984 -7.817 1.00 0.00 O ATOM 669 CB LEU A 44 1.689 -6.313 -4.796 1.00 0.00 C ATOM 670 CG LEU A 44 1.894 -5.493 -3.510 1.00 0.00 C ATOM 671 CD1 LEU A 44 0.599 -5.365 -2.720 1.00 0.00 C ATOM 672 CD2 LEU A 44 2.982 -6.114 -2.649 1.00 0.00 C ATOM 0 H LEU A 44 -0.788 -5.949 -5.056 1.00 0.00 H new ATOM 0 HA LEU A 44 1.506 -4.562 -6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.060 -7.171 -4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.656 -6.704 -5.114 1.00 0.00 H new ATOM 0 HG LEU A 44 2.207 -4.491 -3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.779 -4.780 -1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.153 -4.866 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.242 -6.357 -2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.113 -5.521 -1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.696 -7.130 -2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.918 -6.137 -3.206 1.00 0.00 H new ATOM 684 N ALA A 45 2.568 -6.070 -7.814 1.00 0.00 N ATOM 685 CA ALA A 45 3.003 -6.629 -9.105 1.00 0.00 C ATOM 686 C ALA A 45 2.337 -5.909 -10.273 1.00 0.00 C ATOM 687 O ALA A 45 3.012 -5.431 -11.181 1.00 0.00 O ATOM 688 CB ALA A 45 2.757 -8.130 -9.189 1.00 0.00 C ATOM 0 H ALA A 45 3.282 -5.506 -7.354 1.00 0.00 H new ATOM 0 HA ALA A 45 4.079 -6.468 -9.172 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.093 -8.500 -10.158 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.310 -8.634 -8.397 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.692 -8.331 -9.073 1.00 0.00 H new ATOM 694 N THR A 46 1.016 -5.831 -10.241 1.00 0.00 N ATOM 695 CA THR A 46 0.267 -5.147 -11.280 1.00 0.00 C ATOM 696 C THR A 46 0.357 -3.633 -11.094 1.00 0.00 C ATOM 697 O THR A 46 0.149 -2.870 -12.034 1.00 0.00 O ATOM 698 CB THR A 46 -1.210 -5.585 -11.263 1.00 0.00 C ATOM 699 OG1 THR A 46 -1.279 -7.015 -11.163 1.00 0.00 O ATOM 700 CG2 THR A 46 -1.939 -5.130 -12.521 1.00 0.00 C ATOM 0 H THR A 46 0.440 -6.235 -9.503 1.00 0.00 H new ATOM 0 HA THR A 46 0.703 -5.414 -12.243 1.00 0.00 H new ATOM 0 HB THR A 46 -1.694 -5.122 -10.403 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.217 -7.297 -11.150 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.978 -5.455 -12.477 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.902 -4.043 -12.590 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.459 -5.566 -13.397 1.00 0.00 H new ATOM 708 N GLU A 47 0.667 -3.216 -9.864 1.00 0.00 N ATOM 709 CA GLU A 47 0.808 -1.799 -9.523 1.00 0.00 C ATOM 710 C GLU A 47 -0.460 -1.024 -9.873 1.00 0.00 C ATOM 711 O GLU A 47 -0.415 0.171 -10.174 1.00 0.00 O ATOM 712 CB GLU A 47 2.023 -1.194 -10.225 1.00 0.00 C ATOM 713 CG GLU A 47 3.346 -1.780 -9.758 1.00 0.00 C ATOM 714 CD GLU A 47 4.535 -1.075 -10.372 1.00 0.00 C ATOM 715 OE1 GLU A 47 5.002 -0.074 -9.788 1.00 0.00 O ATOM 716 OE2 GLU A 47 4.993 -1.508 -11.449 1.00 0.00 O ATOM 0 H GLU A 47 0.827 -3.848 -9.080 1.00 0.00 H new ATOM 0 HA GLU A 47 0.962 -1.724 -8.447 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.926 -1.347 -11.300 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.032 -0.117 -10.056 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.407 -1.712 -8.672 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.382 -2.839 -10.014 1.00 0.00 H new ATOM 723 N ASN A 48 -1.583 -1.720 -9.802 1.00 0.00 N ATOM 724 CA ASN A 48 -2.879 -1.141 -10.108 1.00 0.00 C ATOM 725 C ASN A 48 -3.511 -0.633 -8.819 1.00 0.00 C ATOM 726 O ASN A 48 -3.756 -1.408 -7.895 1.00 0.00 O ATOM 727 CB ASN A 48 -3.769 -2.200 -10.771 1.00 0.00 C ATOM 728 CG ASN A 48 -5.081 -1.649 -11.301 1.00 0.00 C ATOM 729 OD1 ASN A 48 -5.653 -0.716 -10.748 1.00 0.00 O ATOM 730 ND2 ASN A 48 -5.568 -2.231 -12.387 1.00 0.00 N ATOM 0 H ASN A 48 -1.621 -2.702 -9.530 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.765 -0.306 -10.799 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.220 -2.661 -11.592 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.981 -2.988 -10.048 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.447 -1.905 -12.790 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.064 -3.005 -12.820 1.00 0.00 H new ATOM 737 N VAL A 49 -3.748 0.666 -8.745 1.00 0.00 N ATOM 738 CA VAL A 49 -4.250 1.274 -7.523 1.00 0.00 C ATOM 739 C VAL A 49 -5.684 1.751 -7.707 1.00 0.00 C ATOM 740 O VAL A 49 -5.976 2.515 -8.622 1.00 0.00 O ATOM 741 CB VAL A 49 -3.379 2.468 -7.092 1.00 0.00 C ATOM 742 CG1 VAL A 49 -3.666 2.849 -5.650 1.00 0.00 C ATOM 743 CG2 VAL A 49 -1.902 2.160 -7.286 1.00 0.00 C ATOM 0 H VAL A 49 -3.601 1.319 -9.515 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.215 0.510 -6.747 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.632 3.318 -7.726 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.040 3.695 -5.366 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.716 3.124 -5.548 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.449 2.002 -5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.307 3.019 -6.975 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.629 1.292 -6.685 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.710 1.948 -8.338 1.00 0.00 H new ATOM 753 N HIS A 50 -6.576 1.286 -6.849 1.00 0.00 N ATOM 754 CA HIS A 50 -7.971 1.701 -6.895 1.00 0.00 C ATOM 755 C HIS A 50 -8.331 2.525 -5.669 1.00 0.00 C ATOM 756 O HIS A 50 -8.610 1.975 -4.606 1.00 0.00 O ATOM 757 CB HIS A 50 -8.900 0.487 -6.985 1.00 0.00 C ATOM 758 CG HIS A 50 -8.978 -0.123 -8.350 1.00 0.00 C ATOM 759 ND1 HIS A 50 -8.175 0.014 -9.428 1.00 0.00 N flip ATOM 760 CD2 HIS A 50 -9.977 -0.993 -8.731 1.00 0.00 C flip ATOM 761 CE1 HIS A 50 -8.696 -0.766 -10.430 1.00 0.00 C flip ATOM 762 NE2 HIS A 50 -9.782 -1.361 -9.983 1.00 0.00 N flip ATOM 0 H HIS A 50 -6.360 0.618 -6.109 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.102 2.314 -7.787 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -8.560 -0.271 -6.279 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.901 0.785 -6.674 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -10.792 -1.322 -8.103 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -8.283 -0.874 -11.422 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -10.373 -1.999 -10.515 1.00 0.00 H new ATOM 771 N ILE A 51 -8.309 3.842 -5.812 1.00 0.00 N ATOM 772 CA ILE A 51 -8.715 4.727 -4.733 1.00 0.00 C ATOM 773 C ILE A 51 -10.221 4.918 -4.779 1.00 0.00 C ATOM 774 O ILE A 51 -10.740 5.659 -5.619 1.00 0.00 O ATOM 775 CB ILE A 51 -8.023 6.114 -4.791 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.496 5.986 -4.744 1.00 0.00 C ATOM 777 CG2 ILE A 51 -8.503 6.996 -3.648 1.00 0.00 C ATOM 778 CD1 ILE A 51 -5.867 5.616 -6.068 1.00 0.00 C ATOM 0 H ILE A 51 -8.015 4.320 -6.664 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.409 4.254 -3.800 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.295 6.575 -5.741 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.073 6.932 -4.405 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.228 5.233 -4.003 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.008 7.965 -3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.581 7.135 -3.724 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.264 6.521 -2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.786 5.545 -5.950 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.259 4.655 -6.401 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.102 6.380 -6.809 1.00 0.00 H new ATOM 790 N VAL A 52 -10.920 4.219 -3.905 1.00 0.00 N ATOM 791 CA VAL A 52 -12.363 4.313 -3.847 1.00 0.00 C ATOM 792 C VAL A 52 -12.767 5.479 -2.962 1.00 0.00 C ATOM 793 O VAL A 52 -12.520 5.473 -1.755 1.00 0.00 O ATOM 794 CB VAL A 52 -13.003 3.012 -3.312 1.00 0.00 C ATOM 795 CG1 VAL A 52 -14.520 3.090 -3.379 1.00 0.00 C ATOM 796 CG2 VAL A 52 -12.492 1.800 -4.080 1.00 0.00 C ATOM 0 H VAL A 52 -10.509 3.579 -3.225 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.725 4.472 -4.863 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.713 2.898 -2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -14.949 2.164 -2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.868 3.927 -2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -14.832 3.235 -4.413 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.957 0.897 -3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.743 1.906 -5.135 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.410 1.729 -3.970 1.00 0.00 H new ATOM 806 N LEU A 53 -13.356 6.493 -3.579 1.00 0.00 N ATOM 807 CA LEU A 53 -13.824 7.661 -2.850 1.00 0.00 C ATOM 808 C LEU A 53 -15.064 7.311 -2.048 1.00 0.00 C ATOM 809 O LEU A 53 -15.477 6.150 -2.008 1.00 0.00 O ATOM 810 CB LEU A 53 -14.166 8.786 -3.817 1.00 0.00 C ATOM 811 CG LEU A 53 -13.083 9.141 -4.829 1.00 0.00 C ATOM 812 CD1 LEU A 53 -13.612 10.202 -5.768 1.00 0.00 C ATOM 813 CD2 LEU A 53 -11.814 9.609 -4.126 1.00 0.00 C ATOM 0 H LEU A 53 -13.521 6.530 -4.585 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.029 7.986 -2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.069 8.510 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.403 9.679 -3.238 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.822 8.254 -5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.842 10.461 -6.495 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -14.490 9.821 -6.289 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.885 11.089 -5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.056 9.856 -4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.035 10.491 -3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.442 8.814 -3.479 1.00 0.00 H new ATOM 825 N LYS A 54 -15.686 8.317 -1.450 1.00 0.00 N ATOM 826 CA LYS A 54 -16.884 8.089 -0.665 1.00 0.00 C ATOM 827 C LYS A 54 -18.097 7.874 -1.573 1.00 0.00 C ATOM 828 O LYS A 54 -18.989 8.727 -1.660 1.00 0.00 O ATOM 829 CB LYS A 54 -17.139 9.244 0.304 1.00 0.00 C ATOM 830 CG LYS A 54 -18.247 8.951 1.303 1.00 0.00 C ATOM 831 CD LYS A 54 -18.577 10.169 2.147 1.00 0.00 C ATOM 832 CE LYS A 54 -19.760 9.901 3.060 1.00 0.00 C ATOM 833 NZ LYS A 54 -20.972 9.489 2.299 1.00 0.00 N ATOM 0 H LYS A 54 -15.382 9.290 -1.494 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.728 7.184 -0.078 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.219 9.466 0.845 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -17.398 10.137 -0.265 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -19.140 8.624 0.771 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -17.944 8.129 1.952 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.709 10.446 2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -18.800 11.015 1.497 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -19.497 9.120 3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -19.982 10.798 3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -21.816 9.626 2.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -21.055 10.067 1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -20.893 8.486 2.036 1.00 0.00 H new ATOM 847 N ASN A 55 -18.048 6.775 -2.323 1.00 0.00 N ATOM 848 CA ASN A 55 -19.215 6.214 -3.013 1.00 0.00 C ATOM 849 C ASN A 55 -19.482 6.923 -4.338 1.00 0.00 C ATOM 850 O ASN A 55 -20.501 6.693 -4.989 1.00 0.00 O ATOM 851 CB ASN A 55 -20.457 6.267 -2.107 1.00 0.00 C ATOM 852 CG ASN A 55 -21.631 5.472 -2.649 1.00 0.00 C ATOM 853 OD1 ASN A 55 -21.454 4.429 -3.282 1.00 0.00 O ATOM 854 ND2 ASN A 55 -22.838 5.963 -2.415 1.00 0.00 N ATOM 0 H ASN A 55 -17.191 6.242 -2.472 1.00 0.00 H new ATOM 0 HA ASN A 55 -18.994 5.171 -3.239 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -20.194 5.886 -1.120 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -20.760 7.306 -1.978 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -23.663 5.475 -2.763 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -22.943 6.829 -1.887 1.00 0.00 H new ATOM 861 N ASP A 56 -18.557 7.771 -4.758 1.00 0.00 N ATOM 862 CA ASP A 56 -18.741 8.492 -6.005 1.00 0.00 C ATOM 863 C ASP A 56 -18.104 7.733 -7.164 1.00 0.00 C ATOM 864 O ASP A 56 -18.805 7.161 -7.998 1.00 0.00 O ATOM 865 CB ASP A 56 -18.173 9.904 -5.919 1.00 0.00 C ATOM 866 CG ASP A 56 -18.694 10.781 -7.037 1.00 0.00 C ATOM 867 OD1 ASP A 56 -19.805 11.335 -6.892 1.00 0.00 O ATOM 868 OD2 ASP A 56 -18.007 10.916 -8.064 1.00 0.00 O ATOM 0 H ASP A 56 -17.688 7.974 -4.264 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.813 8.571 -6.186 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.435 10.345 -4.957 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.085 9.863 -5.965 1.00 0.00 H new ATOM 873 N ASN A 57 -16.779 7.713 -7.209 1.00 0.00 N ATOM 874 CA ASN A 57 -16.066 6.981 -8.250 1.00 0.00 C ATOM 875 C ASN A 57 -14.762 6.417 -7.698 1.00 0.00 C ATOM 876 O ASN A 57 -14.396 6.679 -6.549 1.00 0.00 O ATOM 877 CB ASN A 57 -15.785 7.879 -9.467 1.00 0.00 C ATOM 878 CG ASN A 57 -14.661 8.878 -9.234 1.00 0.00 C ATOM 879 OD1 ASN A 57 -14.883 9.977 -8.730 1.00 0.00 O ATOM 880 ND2 ASN A 57 -13.446 8.518 -9.630 1.00 0.00 N ATOM 0 H ASN A 57 -16.177 8.193 -6.540 1.00 0.00 H new ATOM 0 HA ASN A 57 -16.699 6.157 -8.578 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -15.532 7.251 -10.322 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -16.694 8.421 -9.727 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.662 9.161 -9.520 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.296 7.598 -10.045 1.00 0.00 H new ATOM 887 N THR A 58 -14.068 5.641 -8.514 1.00 0.00 N ATOM 888 CA THR A 58 -12.797 5.065 -8.124 1.00 0.00 C ATOM 889 C THR A 58 -11.671 5.633 -8.986 1.00 0.00 C ATOM 890 O THR A 58 -11.775 5.662 -10.213 1.00 0.00 O ATOM 891 CB THR A 58 -12.831 3.529 -8.261 1.00 0.00 C ATOM 892 OG1 THR A 58 -13.945 2.995 -7.533 1.00 0.00 O ATOM 893 CG2 THR A 58 -11.546 2.903 -7.744 1.00 0.00 C ATOM 0 H THR A 58 -14.369 5.396 -9.457 1.00 0.00 H new ATOM 0 HA THR A 58 -12.614 5.321 -7.081 1.00 0.00 H new ATOM 0 HB THR A 58 -12.933 3.290 -9.320 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.960 2.020 -7.627 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.599 1.820 -7.853 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.700 3.284 -8.316 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.416 3.155 -6.692 1.00 0.00 H new ATOM 901 N VAL A 59 -10.613 6.110 -8.344 1.00 0.00 N ATOM 902 CA VAL A 59 -9.446 6.605 -9.059 1.00 0.00 C ATOM 903 C VAL A 59 -8.491 5.451 -9.334 1.00 0.00 C ATOM 904 O VAL A 59 -8.049 4.767 -8.411 1.00 0.00 O ATOM 905 CB VAL A 59 -8.712 7.715 -8.271 1.00 0.00 C ATOM 906 CG1 VAL A 59 -7.527 8.250 -9.063 1.00 0.00 C ATOM 907 CG2 VAL A 59 -9.670 8.843 -7.910 1.00 0.00 C ATOM 0 H VAL A 59 -10.540 6.164 -7.328 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.789 7.040 -9.998 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.333 7.279 -7.347 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.027 9.029 -8.488 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.826 7.439 -9.261 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.878 8.665 -10.008 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.133 9.613 -7.356 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.085 9.274 -8.821 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.479 8.450 -7.294 1.00 0.00 H new ATOM 917 N LEU A 60 -8.194 5.226 -10.605 1.00 0.00 N ATOM 918 CA LEU A 60 -7.382 4.089 -11.018 1.00 0.00 C ATOM 919 C LEU A 60 -5.972 4.555 -11.374 1.00 0.00 C ATOM 920 O LEU A 60 -5.785 5.319 -12.322 1.00 0.00 O ATOM 921 CB LEU A 60 -8.049 3.405 -12.221 1.00 0.00 C ATOM 922 CG LEU A 60 -7.770 1.905 -12.398 1.00 0.00 C ATOM 923 CD1 LEU A 60 -8.716 1.318 -13.433 1.00 0.00 C ATOM 924 CD2 LEU A 60 -6.328 1.655 -12.815 1.00 0.00 C ATOM 0 H LEU A 60 -8.505 5.820 -11.374 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.306 3.374 -10.199 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.127 3.544 -12.138 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.730 3.921 -13.127 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.934 1.417 -11.437 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.511 0.254 -13.552 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.746 1.454 -13.103 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.571 1.824 -14.387 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.163 0.584 -12.932 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.131 2.158 -13.762 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.655 2.044 -12.051 1.00 0.00 H new ATOM 936 N LEU A 61 -4.989 4.106 -10.602 1.00 0.00 N ATOM 937 CA LEU A 61 -3.598 4.463 -10.854 1.00 0.00 C ATOM 938 C LEU A 61 -2.847 3.295 -11.458 1.00 0.00 C ATOM 939 O LEU A 61 -3.294 2.150 -11.394 1.00 0.00 O ATOM 940 CB LEU A 61 -2.875 4.869 -9.569 1.00 0.00 C ATOM 941 CG LEU A 61 -3.563 5.928 -8.717 1.00 0.00 C ATOM 942 CD1 LEU A 61 -2.712 6.245 -7.500 1.00 0.00 C ATOM 943 CD2 LEU A 61 -3.825 7.183 -9.532 1.00 0.00 C ATOM 0 H LEU A 61 -5.129 3.495 -9.797 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.614 5.307 -11.544 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.734 3.977 -8.959 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.883 5.234 -9.835 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.524 5.539 -8.380 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.210 7.003 -6.895 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.574 5.341 -6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.740 6.619 -7.823 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.317 7.927 -8.906 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.879 7.584 -9.897 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.467 6.940 -10.379 1.00 0.00 H new ATOM 955 N LYS A 62 -1.686 3.595 -12.008 1.00 0.00 N ATOM 956 CA LYS A 62 -0.816 2.579 -12.563 1.00 0.00 C ATOM 957 C LYS A 62 0.637 2.945 -12.298 1.00 0.00 C ATOM 958 O LYS A 62 1.081 4.043 -12.647 1.00 0.00 O ATOM 959 CB LYS A 62 -1.046 2.448 -14.069 1.00 0.00 C ATOM 960 CG LYS A 62 -0.198 1.372 -14.728 1.00 0.00 C ATOM 961 CD LYS A 62 -0.267 1.469 -16.242 1.00 0.00 C ATOM 962 CE LYS A 62 0.282 2.801 -16.736 1.00 0.00 C ATOM 963 NZ LYS A 62 0.233 2.910 -18.216 1.00 0.00 N ATOM 0 H LYS A 62 -1.322 4.545 -12.082 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.043 1.625 -12.087 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.098 2.229 -14.249 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.834 3.406 -14.544 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.837 1.470 -14.401 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.541 0.388 -14.408 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.300 0.652 -16.687 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.300 1.355 -16.569 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.291 3.616 -16.294 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.312 2.916 -16.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.616 3.831 -18.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.801 2.149 -18.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.752 2.826 -18.538 1.00 0.00 H new ATOM 977 N GLY A 63 1.358 2.050 -11.642 1.00 0.00 N ATOM 978 CA GLY A 63 2.795 2.212 -11.506 1.00 0.00 C ATOM 979 C GLY A 63 3.501 1.975 -12.827 1.00 0.00 C ATOM 980 O GLY A 63 3.463 2.824 -13.720 1.00 0.00 O ATOM 0 H GLY A 63 0.977 1.213 -11.200 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.018 3.217 -11.147 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.173 1.515 -10.758 1.00 0.00 H new ATOM 984 N LEU A 64 4.145 0.828 -12.954 1.00 0.00 N ATOM 985 CA LEU A 64 4.724 0.414 -14.225 1.00 0.00 C ATOM 986 C LEU A 64 4.082 -0.896 -14.677 1.00 0.00 C ATOM 987 O LEU A 64 4.269 -1.332 -15.814 1.00 0.00 O ATOM 988 CB LEU A 64 6.245 0.251 -14.091 1.00 0.00 C ATOM 989 CG LEU A 64 6.992 -0.052 -15.395 1.00 0.00 C ATOM 990 CD1 LEU A 64 6.829 1.090 -16.384 1.00 0.00 C ATOM 991 CD2 LEU A 64 8.464 -0.315 -15.112 1.00 0.00 C ATOM 0 H LEU A 64 4.282 0.164 -12.192 1.00 0.00 H new ATOM 0 HA LEU A 64 4.529 1.181 -14.974 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.655 1.165 -13.662 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.446 -0.552 -13.382 1.00 0.00 H new ATOM 0 HG LEU A 64 6.561 -0.949 -15.840 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.367 0.855 -17.303 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.771 1.229 -16.608 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.232 2.006 -15.952 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.982 -0.529 -16.047 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.907 0.564 -14.644 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.559 -1.169 -14.441 1.00 0.00 H new ATOM 1003 N LYS A 65 3.328 -1.505 -13.750 1.00 0.00 N ATOM 1004 CA LYS A 65 2.633 -2.788 -13.947 1.00 0.00 C ATOM 1005 C LYS A 65 3.566 -3.857 -14.511 1.00 0.00 C ATOM 1006 O LYS A 65 3.133 -4.781 -15.203 1.00 0.00 O ATOM 1007 CB LYS A 65 1.367 -2.640 -14.820 1.00 0.00 C ATOM 1008 CG LYS A 65 1.609 -2.343 -16.292 1.00 0.00 C ATOM 1009 CD LYS A 65 0.360 -2.594 -17.120 1.00 0.00 C ATOM 1010 CE LYS A 65 -0.080 -4.049 -17.027 1.00 0.00 C ATOM 1011 NZ LYS A 65 -1.262 -4.332 -17.881 1.00 0.00 N ATOM 0 H LYS A 65 3.180 -1.111 -12.821 1.00 0.00 H new ATOM 0 HA LYS A 65 2.308 -3.117 -12.960 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.787 -3.560 -14.745 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.753 -1.841 -14.404 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.923 -1.306 -16.409 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.424 -2.966 -16.661 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.445 -1.945 -16.774 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.553 -2.336 -18.161 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.745 -4.696 -17.325 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.316 -4.290 -15.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.527 -5.333 -17.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.058 -3.734 -17.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.030 -4.127 -18.874 1.00 0.00 H new ATOM 1025 N ASN A 66 4.843 -3.748 -14.178 1.00 0.00 N ATOM 1026 CA ASN A 66 5.834 -4.686 -14.677 1.00 0.00 C ATOM 1027 C ASN A 66 6.664 -5.252 -13.527 1.00 0.00 C ATOM 1028 O ASN A 66 7.361 -6.256 -13.683 1.00 0.00 O ATOM 1029 CB ASN A 66 6.731 -3.984 -15.704 1.00 0.00 C ATOM 1030 CG ASN A 66 7.361 -4.929 -16.720 1.00 0.00 C ATOM 1031 OD1 ASN A 66 7.523 -4.570 -17.884 1.00 0.00 O ATOM 1032 ND2 ASN A 66 7.731 -6.128 -16.301 1.00 0.00 N ATOM 0 H ASN A 66 5.216 -3.022 -13.566 1.00 0.00 H new ATOM 0 HA ASN A 66 5.326 -5.519 -15.163 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.143 -3.235 -16.235 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.523 -3.452 -15.177 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.164 -6.784 -16.951 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.583 -6.396 -15.328 1.00 0.00 H new ATOM 1039 N ILE A 67 6.574 -4.621 -12.363 1.00 0.00 N ATOM 1040 CA ILE A 67 7.341 -5.061 -11.208 1.00 0.00 C ATOM 1041 C ILE A 67 6.654 -6.243 -10.530 1.00 0.00 C ATOM 1042 O ILE A 67 5.967 -6.098 -9.518 1.00 0.00 O ATOM 1043 CB ILE A 67 7.553 -3.918 -10.189 1.00 0.00 C ATOM 1044 CG1 ILE A 67 8.191 -2.712 -10.883 1.00 0.00 C ATOM 1045 CG2 ILE A 67 8.425 -4.390 -9.031 1.00 0.00 C ATOM 1046 CD1 ILE A 67 8.391 -1.521 -9.970 1.00 0.00 C ATOM 0 H ILE A 67 5.981 -3.808 -12.196 1.00 0.00 H new ATOM 0 HA ILE A 67 8.321 -5.373 -11.569 1.00 0.00 H new ATOM 0 HB ILE A 67 6.584 -3.621 -9.787 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.155 -3.009 -11.295 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.564 -2.414 -11.723 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.564 -3.573 -8.323 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.940 -5.227 -8.528 1.00 0.00 H new ATOM 0 HG23 ILE A 67 9.395 -4.708 -9.412 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.847 -0.705 -10.531 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.427 -1.197 -9.578 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.043 -1.802 -9.143 1.00 0.00 H new ATOM 1058 N VAL A 68 6.815 -7.415 -11.121 1.00 0.00 N ATOM 1059 CA VAL A 68 6.241 -8.628 -10.569 1.00 0.00 C ATOM 1060 C VAL A 68 7.229 -9.289 -9.617 1.00 0.00 C ATOM 1061 O VAL A 68 8.039 -10.123 -10.019 1.00 0.00 O ATOM 1062 CB VAL A 68 5.840 -9.628 -11.675 1.00 0.00 C ATOM 1063 CG1 VAL A 68 5.128 -10.837 -11.083 1.00 0.00 C ATOM 1064 CG2 VAL A 68 4.959 -8.948 -12.714 1.00 0.00 C ATOM 0 H VAL A 68 7.340 -7.551 -11.985 1.00 0.00 H new ATOM 0 HA VAL A 68 5.339 -8.345 -10.027 1.00 0.00 H new ATOM 0 HB VAL A 68 6.750 -9.976 -12.164 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.856 -11.526 -11.882 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.790 -11.341 -10.379 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.227 -10.510 -10.563 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.686 -9.667 -13.486 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.056 -8.570 -12.234 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.504 -8.119 -13.167 1.00 0.00 H new ATOM 1074 N SER A 69 7.190 -8.871 -8.362 1.00 0.00 N ATOM 1075 CA SER A 69 8.061 -9.435 -7.343 1.00 0.00 C ATOM 1076 C SER A 69 7.255 -10.272 -6.351 1.00 0.00 C ATOM 1077 O SER A 69 7.778 -10.729 -5.337 1.00 0.00 O ATOM 1078 CB SER A 69 8.804 -8.315 -6.611 1.00 0.00 C ATOM 1079 OG SER A 69 9.525 -7.496 -7.523 1.00 0.00 O ATOM 0 H SER A 69 6.563 -8.141 -8.024 1.00 0.00 H new ATOM 0 HA SER A 69 8.789 -10.085 -7.828 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.092 -7.705 -6.055 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.491 -8.746 -5.883 1.00 0.00 H new ATOM 0 HG SER A 69 9.989 -6.788 -7.030 1.00 0.00 H new ATOM 1085 N VAL A 70 5.977 -10.473 -6.662 1.00 0.00 N ATOM 1086 CA VAL A 70 5.099 -11.252 -5.803 1.00 0.00 C ATOM 1087 C VAL A 70 5.434 -12.733 -5.908 1.00 0.00 C ATOM 1088 O VAL A 70 5.502 -13.292 -7.006 1.00 0.00 O ATOM 1089 CB VAL A 70 3.611 -11.023 -6.151 1.00 0.00 C ATOM 1090 CG1 VAL A 70 2.707 -11.878 -5.273 1.00 0.00 C ATOM 1091 CG2 VAL A 70 3.253 -9.552 -6.001 1.00 0.00 C ATOM 0 H VAL A 70 5.530 -10.106 -7.502 1.00 0.00 H new ATOM 0 HA VAL A 70 5.260 -10.917 -4.778 1.00 0.00 H new ATOM 0 HB VAL A 70 3.457 -11.319 -7.188 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.665 -11.698 -5.539 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.943 -12.931 -5.425 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.865 -11.618 -4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.202 -9.406 -6.250 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.430 -9.238 -4.972 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.871 -8.957 -6.674 1.00 0.00 H new ATOM 1101 N LYS A 71 5.650 -13.354 -4.763 1.00 0.00 N ATOM 1102 CA LYS A 71 6.085 -14.737 -4.706 1.00 0.00 C ATOM 1103 C LYS A 71 5.001 -15.605 -4.084 1.00 0.00 C ATOM 1104 O LYS A 71 4.264 -15.149 -3.208 1.00 0.00 O ATOM 1105 CB LYS A 71 7.381 -14.815 -3.892 1.00 0.00 C ATOM 1106 CG LYS A 71 8.157 -16.111 -4.056 1.00 0.00 C ATOM 1107 CD LYS A 71 8.531 -16.356 -5.507 1.00 0.00 C ATOM 1108 CE LYS A 71 9.624 -17.403 -5.636 1.00 0.00 C ATOM 1109 NZ LYS A 71 9.358 -18.609 -4.807 1.00 0.00 N ATOM 0 H LYS A 71 5.529 -12.916 -3.850 1.00 0.00 H new ATOM 0 HA LYS A 71 6.271 -15.108 -5.714 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.025 -13.983 -4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.140 -14.683 -2.837 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.061 -16.075 -3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.558 -16.944 -3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.650 -16.680 -6.060 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.866 -15.422 -5.959 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.719 -17.698 -6.681 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.578 -16.966 -5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.979 -19.385 -5.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.544 -18.391 -3.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.365 -18.896 -4.920 1.00 0.00 H new ATOM 1123 N PHE A 72 4.889 -16.844 -4.554 1.00 0.00 N ATOM 1124 CA PHE A 72 3.902 -17.773 -4.025 1.00 0.00 C ATOM 1125 C PHE A 72 4.273 -18.187 -2.605 1.00 0.00 C ATOM 1126 O PHE A 72 5.020 -19.146 -2.392 1.00 0.00 O ATOM 1127 CB PHE A 72 3.776 -19.002 -4.934 1.00 0.00 C ATOM 1128 CG PHE A 72 2.760 -20.012 -4.470 1.00 0.00 C ATOM 1129 CD1 PHE A 72 1.404 -19.752 -4.575 1.00 0.00 C ATOM 1130 CD2 PHE A 72 3.165 -21.223 -3.929 1.00 0.00 C ATOM 1131 CE1 PHE A 72 0.472 -20.679 -4.148 1.00 0.00 C ATOM 1132 CE2 PHE A 72 2.237 -22.152 -3.502 1.00 0.00 C ATOM 1133 CZ PHE A 72 0.888 -21.880 -3.611 1.00 0.00 C ATOM 0 H PHE A 72 5.471 -17.226 -5.300 1.00 0.00 H new ATOM 0 HA PHE A 72 2.934 -17.272 -3.996 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.511 -18.671 -5.938 1.00 0.00 H new ATOM 0 HB3 PHE A 72 4.749 -19.488 -5.005 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.071 -18.814 -4.995 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.219 -21.442 -3.841 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.583 -20.463 -4.235 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.566 -23.091 -3.083 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.161 -22.605 -3.277 1.00 0.00 H new ATOM 1143 N SER A 73 3.791 -17.417 -1.646 1.00 0.00 N ATOM 1144 CA SER A 73 3.997 -17.704 -0.238 1.00 0.00 C ATOM 1145 C SER A 73 2.861 -17.092 0.579 1.00 0.00 C ATOM 1146 O SER A 73 2.128 -16.236 0.083 1.00 0.00 O ATOM 1147 CB SER A 73 5.349 -17.143 0.219 1.00 0.00 C ATOM 1148 OG SER A 73 5.641 -17.508 1.558 1.00 0.00 O ATOM 0 H SER A 73 3.245 -16.574 -1.822 1.00 0.00 H new ATOM 0 HA SER A 73 4.002 -18.783 -0.085 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.137 -17.510 -0.439 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.341 -16.057 0.131 1.00 0.00 H new ATOM 0 HG SER A 73 6.510 -17.136 1.816 1.00 0.00 H new ATOM 1154 N LYS A 74 2.698 -17.556 1.809 1.00 0.00 N ATOM 1155 CA LYS A 74 1.711 -16.991 2.721 1.00 0.00 C ATOM 1156 C LYS A 74 2.344 -16.803 4.090 1.00 0.00 C ATOM 1157 O LYS A 74 1.971 -17.470 5.055 1.00 0.00 O ATOM 1158 CB LYS A 74 0.478 -17.899 2.833 1.00 0.00 C ATOM 1159 CG LYS A 74 -0.193 -18.189 1.502 1.00 0.00 C ATOM 1160 CD LYS A 74 -1.349 -19.160 1.653 1.00 0.00 C ATOM 1161 CE LYS A 74 -1.857 -19.616 0.296 1.00 0.00 C ATOM 1162 NZ LYS A 74 -3.052 -20.488 0.406 1.00 0.00 N ATOM 0 H LYS A 74 3.239 -18.326 2.201 1.00 0.00 H new ATOM 0 HA LYS A 74 1.384 -16.028 2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.773 -18.842 3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.246 -17.432 3.500 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.555 -17.257 1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.539 -18.601 0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.029 -20.024 2.235 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.158 -18.684 2.207 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.101 -18.743 -0.310 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.064 -20.154 -0.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.914 -21.341 -0.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.191 -20.762 1.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.890 -19.973 0.068 1.00 0.00 H new ATOM 1176 N ASP A 75 3.317 -15.908 4.171 1.00 0.00 N ATOM 1177 CA ASP A 75 4.079 -15.743 5.401 1.00 0.00 C ATOM 1178 C ASP A 75 3.640 -14.491 6.153 1.00 0.00 C ATOM 1179 O ASP A 75 3.996 -13.370 5.794 1.00 0.00 O ATOM 1180 CB ASP A 75 5.586 -15.695 5.119 1.00 0.00 C ATOM 1181 CG ASP A 75 6.417 -15.780 6.389 1.00 0.00 C ATOM 1182 OD1 ASP A 75 5.827 -15.825 7.490 1.00 0.00 O ATOM 1183 OD2 ASP A 75 7.664 -15.804 6.295 1.00 0.00 O ATOM 0 H ASP A 75 3.596 -15.290 3.409 1.00 0.00 H new ATOM 0 HA ASP A 75 3.878 -16.611 6.030 1.00 0.00 H new ATOM 0 HB2 ASP A 75 5.855 -16.518 4.456 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.825 -14.771 4.593 1.00 0.00 H new ATOM 1188 N ARG A 76 2.856 -14.705 7.200 1.00 0.00 N ATOM 1189 CA ARG A 76 2.388 -13.628 8.067 1.00 0.00 C ATOM 1190 C ARG A 76 3.529 -13.137 8.956 1.00 0.00 C ATOM 1191 O ARG A 76 3.534 -11.993 9.421 1.00 0.00 O ATOM 1192 CB ARG A 76 1.226 -14.143 8.922 1.00 0.00 C ATOM 1193 CG ARG A 76 0.585 -13.104 9.827 1.00 0.00 C ATOM 1194 CD ARG A 76 -0.525 -13.733 10.654 1.00 0.00 C ATOM 1195 NE ARG A 76 -1.123 -12.795 11.600 1.00 0.00 N ATOM 1196 CZ ARG A 76 -1.463 -13.125 12.848 1.00 0.00 C ATOM 1197 NH1 ARG A 76 -1.220 -14.350 13.301 1.00 0.00 N ATOM 1198 NH2 ARG A 76 -2.039 -12.230 13.643 1.00 0.00 N ATOM 0 H ARG A 76 2.525 -15.630 7.474 1.00 0.00 H new ATOM 0 HA ARG A 76 2.044 -12.791 7.459 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.460 -14.549 8.261 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.585 -14.967 9.538 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.338 -12.672 10.486 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.182 -12.288 9.226 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.299 -14.113 9.987 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.126 -14.588 11.199 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.290 -11.837 11.291 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.774 -15.039 12.695 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.480 -14.602 14.255 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.223 -11.287 13.300 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.297 -12.486 14.596 1.00 0.00 H new ATOM 1212 N HIS A 77 4.508 -14.008 9.161 1.00 0.00 N ATOM 1213 CA HIS A 77 5.639 -13.709 10.025 1.00 0.00 C ATOM 1214 C HIS A 77 6.594 -12.756 9.316 1.00 0.00 C ATOM 1215 O HIS A 77 7.114 -11.821 9.922 1.00 0.00 O ATOM 1216 CB HIS A 77 6.362 -15.007 10.412 1.00 0.00 C ATOM 1217 CG HIS A 77 7.391 -14.856 11.497 1.00 0.00 C ATOM 1218 ND1 HIS A 77 7.335 -15.562 12.682 1.00 0.00 N ATOM 1219 CD2 HIS A 77 8.518 -14.110 11.562 1.00 0.00 C ATOM 1220 CE1 HIS A 77 8.382 -15.252 13.427 1.00 0.00 C ATOM 1221 NE2 HIS A 77 9.113 -14.374 12.769 1.00 0.00 N ATOM 0 H HIS A 77 4.540 -14.935 8.736 1.00 0.00 H new ATOM 0 HA HIS A 77 5.279 -13.229 10.935 1.00 0.00 H new ATOM 0 HB2 HIS A 77 5.620 -15.738 10.734 1.00 0.00 H new ATOM 0 HB3 HIS A 77 6.847 -15.415 9.525 1.00 0.00 H new ATOM 0 HD2 HIS A 77 8.882 -13.432 10.804 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.601 -15.650 14.407 1.00 0.00 H new ATOM 0 HE2 HIS A 77 9.982 -13.958 13.104 1.00 0.00 H new ATOM 1230 N LEU A 78 6.807 -12.991 8.025 1.00 0.00 N ATOM 1231 CA LEU A 78 7.672 -12.132 7.226 1.00 0.00 C ATOM 1232 C LEU A 78 7.113 -10.718 7.173 1.00 0.00 C ATOM 1233 O LEU A 78 7.869 -9.751 7.202 1.00 0.00 O ATOM 1234 CB LEU A 78 7.842 -12.685 5.809 1.00 0.00 C ATOM 1235 CG LEU A 78 8.770 -11.870 4.899 1.00 0.00 C ATOM 1236 CD1 LEU A 78 10.139 -11.704 5.537 1.00 0.00 C ATOM 1237 CD2 LEU A 78 8.903 -12.537 3.540 1.00 0.00 C ATOM 0 H LEU A 78 6.393 -13.768 7.511 1.00 0.00 H new ATOM 0 HA LEU A 78 8.652 -12.107 7.702 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.227 -13.703 5.877 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.860 -12.746 5.339 1.00 0.00 H new ATOM 0 HG LEU A 78 8.330 -10.882 4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.781 -11.123 4.875 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.036 -11.185 6.490 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.584 -12.685 5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.565 -11.945 2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.318 -13.537 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.921 -12.608 3.072 1.00 0.00 H new ATOM 1249 N ILE A 79 5.791 -10.602 7.101 1.00 0.00 N ATOM 1250 CA ILE A 79 5.138 -9.299 7.136 1.00 0.00 C ATOM 1251 C ILE A 79 5.504 -8.572 8.426 1.00 0.00 C ATOM 1252 O ILE A 79 5.916 -7.412 8.402 1.00 0.00 O ATOM 1253 CB ILE A 79 3.601 -9.424 7.044 1.00 0.00 C ATOM 1254 CG1 ILE A 79 3.196 -10.206 5.790 1.00 0.00 C ATOM 1255 CG2 ILE A 79 2.957 -8.043 7.043 1.00 0.00 C ATOM 1256 CD1 ILE A 79 1.710 -10.480 5.697 1.00 0.00 C ATOM 0 H ILE A 79 5.152 -11.393 7.018 1.00 0.00 H new ATOM 0 HA ILE A 79 5.486 -8.734 6.271 1.00 0.00 H new ATOM 0 HB ILE A 79 3.247 -9.972 7.917 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.509 -9.648 4.908 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.733 -11.154 5.775 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.874 -8.147 6.978 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.217 -7.520 7.963 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.319 -7.473 6.187 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.499 -11.037 4.784 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.393 -11.065 6.560 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.166 -9.535 5.680 1.00 0.00 H new ATOM 1268 N GLU A 80 5.382 -9.286 9.543 1.00 0.00 N ATOM 1269 CA GLU A 80 5.733 -8.751 10.856 1.00 0.00 C ATOM 1270 C GLU A 80 7.185 -8.271 10.851 1.00 0.00 C ATOM 1271 O GLU A 80 7.487 -7.155 11.279 1.00 0.00 O ATOM 1272 CB GLU A 80 5.515 -9.841 11.917 1.00 0.00 C ATOM 1273 CG GLU A 80 5.309 -9.331 13.338 1.00 0.00 C ATOM 1274 CD GLU A 80 6.587 -8.870 14.010 1.00 0.00 C ATOM 1275 OE1 GLU A 80 7.512 -9.700 14.174 1.00 0.00 O ATOM 1276 OE2 GLU A 80 6.663 -7.689 14.396 1.00 0.00 O ATOM 0 H GLU A 80 5.039 -10.246 9.564 1.00 0.00 H new ATOM 0 HA GLU A 80 5.098 -7.898 11.093 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.647 -10.435 11.632 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.375 -10.510 11.909 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.600 -8.503 13.319 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.859 -10.122 13.937 1.00 0.00 H new ATOM 1283 N THR A 81 8.071 -9.112 10.329 1.00 0.00 N ATOM 1284 CA THR A 81 9.486 -8.787 10.230 1.00 0.00 C ATOM 1285 C THR A 81 9.721 -7.586 9.309 1.00 0.00 C ATOM 1286 O THR A 81 10.583 -6.747 9.576 1.00 0.00 O ATOM 1287 CB THR A 81 10.281 -9.999 9.708 1.00 0.00 C ATOM 1288 OG1 THR A 81 9.921 -11.168 10.454 1.00 0.00 O ATOM 1289 CG2 THR A 81 11.782 -9.768 9.820 1.00 0.00 C ATOM 0 H THR A 81 7.829 -10.033 9.965 1.00 0.00 H new ATOM 0 HA THR A 81 9.833 -8.528 11.230 1.00 0.00 H new ATOM 0 HB THR A 81 10.035 -10.137 8.655 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.040 -11.483 10.163 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.314 -10.642 9.443 1.00 0.00 H new ATOM 0 HG22 THR A 81 12.060 -8.893 9.233 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.048 -9.604 10.864 1.00 0.00 H new ATOM 1297 N THR A 82 8.946 -7.501 8.233 1.00 0.00 N ATOM 1298 CA THR A 82 9.060 -6.399 7.289 1.00 0.00 C ATOM 1299 C THR A 82 8.708 -5.076 7.969 1.00 0.00 C ATOM 1300 O THR A 82 9.419 -4.078 7.813 1.00 0.00 O ATOM 1301 CB THR A 82 8.155 -6.621 6.057 1.00 0.00 C ATOM 1302 OG1 THR A 82 8.488 -7.864 5.426 1.00 0.00 O ATOM 1303 CG2 THR A 82 8.311 -5.494 5.049 1.00 0.00 C ATOM 0 H THR A 82 8.229 -8.186 7.994 1.00 0.00 H new ATOM 0 HA THR A 82 10.094 -6.358 6.947 1.00 0.00 H new ATOM 0 HB THR A 82 7.121 -6.641 6.401 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.996 -8.593 5.859 1.00 0.00 H new ATOM 0 HG21 THR A 82 7.662 -5.679 4.193 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.036 -4.548 5.516 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.347 -5.446 4.714 1.00 0.00 H new ATOM 1311 N SER A 83 7.631 -5.084 8.747 1.00 0.00 N ATOM 1312 CA SER A 83 7.236 -3.915 9.518 1.00 0.00 C ATOM 1313 C SER A 83 8.344 -3.522 10.492 1.00 0.00 C ATOM 1314 O SER A 83 8.599 -2.341 10.715 1.00 0.00 O ATOM 1315 CB SER A 83 5.939 -4.199 10.279 1.00 0.00 C ATOM 1316 OG SER A 83 4.926 -4.669 9.406 1.00 0.00 O ATOM 0 H SER A 83 7.016 -5.890 8.859 1.00 0.00 H new ATOM 0 HA SER A 83 7.066 -3.085 8.832 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.125 -4.940 11.057 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.601 -3.291 10.778 1.00 0.00 H new ATOM 0 HG SER A 83 4.771 -4.008 8.699 1.00 0.00 H new ATOM 1322 N ASN A 84 9.018 -4.525 11.050 1.00 0.00 N ATOM 1323 CA ASN A 84 10.115 -4.296 11.984 1.00 0.00 C ATOM 1324 C ASN A 84 11.321 -3.690 11.284 1.00 0.00 C ATOM 1325 O ASN A 84 12.073 -2.928 11.883 1.00 0.00 O ATOM 1326 CB ASN A 84 10.527 -5.604 12.666 1.00 0.00 C ATOM 1327 CG ASN A 84 9.501 -6.091 13.663 1.00 0.00 C ATOM 1328 OD1 ASN A 84 8.823 -5.294 14.313 1.00 0.00 O ATOM 1329 ND2 ASN A 84 9.389 -7.401 13.797 1.00 0.00 N ATOM 0 H ASN A 84 8.821 -5.509 10.869 1.00 0.00 H new ATOM 0 HA ASN A 84 9.759 -3.593 12.737 1.00 0.00 H new ATOM 0 HB2 ASN A 84 10.683 -6.371 11.907 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.481 -5.459 13.174 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.719 -7.790 14.461 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.972 -8.023 13.237 1.00 0.00 H new ATOM 1336 N LYS A 85 11.501 -4.026 10.019 1.00 0.00 N ATOM 1337 CA LYS A 85 12.639 -3.537 9.257 1.00 0.00 C ATOM 1338 C LYS A 85 12.508 -2.034 9.006 1.00 0.00 C ATOM 1339 O LYS A 85 13.484 -1.286 9.113 1.00 0.00 O ATOM 1340 CB LYS A 85 12.750 -4.306 7.940 1.00 0.00 C ATOM 1341 CG LYS A 85 14.088 -4.138 7.237 1.00 0.00 C ATOM 1342 CD LYS A 85 15.252 -4.551 8.129 1.00 0.00 C ATOM 1343 CE LYS A 85 15.101 -5.983 8.622 1.00 0.00 C ATOM 1344 NZ LYS A 85 16.215 -6.381 9.521 1.00 0.00 N ATOM 0 H LYS A 85 10.873 -4.636 9.496 1.00 0.00 H new ATOM 0 HA LYS A 85 13.551 -3.701 9.832 1.00 0.00 H new ATOM 0 HB2 LYS A 85 12.584 -5.366 8.135 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.955 -3.976 7.271 1.00 0.00 H new ATOM 0 HG2 LYS A 85 14.098 -4.737 6.326 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.212 -3.098 6.936 1.00 0.00 H new ATOM 0 HD2 LYS A 85 16.187 -4.453 7.577 1.00 0.00 H new ATOM 0 HD3 LYS A 85 15.314 -3.876 8.983 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.153 -6.087 9.151 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.065 -6.659 7.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.074 -7.363 9.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 17.117 -6.307 9.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 16.234 -5.752 10.349 1.00 0.00 H new ATOM 1358 N LEU A 86 11.291 -1.601 8.691 1.00 0.00 N ATOM 1359 CA LEU A 86 10.993 -0.179 8.522 1.00 0.00 C ATOM 1360 C LEU A 86 10.976 0.514 9.884 1.00 0.00 C ATOM 1361 O LEU A 86 11.311 1.691 10.012 1.00 0.00 O ATOM 1362 CB LEU A 86 9.631 -0.018 7.837 1.00 0.00 C ATOM 1363 CG LEU A 86 9.158 1.422 7.617 1.00 0.00 C ATOM 1364 CD1 LEU A 86 9.975 2.099 6.532 1.00 0.00 C ATOM 1365 CD2 LEU A 86 7.679 1.454 7.267 1.00 0.00 C ATOM 0 H LEU A 86 10.490 -2.216 8.547 1.00 0.00 H new ATOM 0 HA LEU A 86 11.764 0.279 7.902 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.671 -0.518 6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.882 -0.539 8.434 1.00 0.00 H new ATOM 0 HG LEU A 86 9.304 1.971 8.547 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.621 3.120 6.394 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.025 2.116 6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.867 1.548 5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.363 2.486 7.115 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.509 0.884 6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.103 1.015 8.081 1.00 0.00 H new ATOM 1377 N LYS A 87 10.589 -0.248 10.894 1.00 0.00 N ATOM 1378 CA LYS A 87 10.460 0.248 12.256 1.00 0.00 C ATOM 1379 C LYS A 87 11.830 0.504 12.882 1.00 0.00 C ATOM 1380 O LYS A 87 12.039 1.516 13.550 1.00 0.00 O ATOM 1381 CB LYS A 87 9.698 -0.794 13.082 1.00 0.00 C ATOM 1382 CG LYS A 87 9.270 -0.337 14.466 1.00 0.00 C ATOM 1383 CD LYS A 87 8.649 -1.489 15.246 1.00 0.00 C ATOM 1384 CE LYS A 87 7.509 -2.143 14.474 1.00 0.00 C ATOM 1385 NZ LYS A 87 7.046 -3.400 15.119 1.00 0.00 N ATOM 0 H LYS A 87 10.354 -1.235 10.792 1.00 0.00 H new ATOM 0 HA LYS A 87 9.919 1.194 12.242 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.810 -1.096 12.526 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.325 -1.680 13.187 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.131 0.053 15.008 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.552 0.479 14.379 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.414 -2.234 15.466 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.277 -1.122 16.203 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.675 -1.445 14.400 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.837 -2.357 13.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.007 -3.440 15.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.435 -4.217 14.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.372 -3.424 16.106 1.00 0.00 H new ATOM 1399 N SER A 88 12.754 -0.421 12.660 1.00 0.00 N ATOM 1400 CA SER A 88 14.064 -0.361 13.293 1.00 0.00 C ATOM 1401 C SER A 88 15.035 0.524 12.519 1.00 0.00 C ATOM 1402 O SER A 88 15.662 1.414 13.093 1.00 0.00 O ATOM 1403 CB SER A 88 14.648 -1.766 13.425 1.00 0.00 C ATOM 1404 OG SER A 88 13.741 -2.632 14.090 1.00 0.00 O ATOM 0 H SER A 88 12.620 -1.223 12.045 1.00 0.00 H new ATOM 0 HA SER A 88 13.926 0.078 14.281 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.877 -2.163 12.436 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.587 -1.723 13.977 1.00 0.00 H new ATOM 0 HG SER A 88 13.021 -2.886 13.476 1.00 0.00 H new ATOM 1410 N ARG A 89 15.169 0.285 11.221 1.00 0.00 N ATOM 1411 CA ARG A 89 16.185 0.979 10.448 1.00 0.00 C ATOM 1412 C ARG A 89 15.575 2.142 9.663 1.00 0.00 C ATOM 1413 O ARG A 89 15.658 3.285 10.112 1.00 0.00 O ATOM 1414 CB ARG A 89 16.879 -0.026 9.525 1.00 0.00 C ATOM 1415 CG ARG A 89 18.081 0.527 8.782 1.00 0.00 C ATOM 1416 CD ARG A 89 19.031 1.272 9.708 1.00 0.00 C ATOM 1417 NE ARG A 89 19.518 0.444 10.810 1.00 0.00 N ATOM 1418 CZ ARG A 89 20.355 0.889 11.748 1.00 0.00 C ATOM 1419 NH1 ARG A 89 20.810 2.138 11.697 1.00 0.00 N ATOM 1420 NH2 ARG A 89 20.740 0.088 12.734 1.00 0.00 N ATOM 0 H ARG A 89 14.597 -0.372 10.691 1.00 0.00 H new ATOM 0 HA ARG A 89 16.927 1.410 11.120 1.00 0.00 H new ATOM 0 HB2 ARG A 89 17.197 -0.884 10.117 1.00 0.00 H new ATOM 0 HB3 ARG A 89 16.155 -0.392 8.797 1.00 0.00 H new ATOM 0 HG2 ARG A 89 18.615 -0.290 8.297 1.00 0.00 H new ATOM 0 HG3 ARG A 89 17.742 1.199 7.994 1.00 0.00 H new ATOM 0 HD2 ARG A 89 19.881 1.637 9.131 1.00 0.00 H new ATOM 0 HD3 ARG A 89 18.523 2.146 10.114 1.00 0.00 H new ATOM 0 HE ARG A 89 19.201 -0.524 10.864 1.00 0.00 H new ATOM 0 HH11 ARG A 89 20.519 2.756 10.940 1.00 0.00 H new ATOM 0 HH12 ARG A 89 21.450 2.477 12.415 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.396 -0.871 12.776 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.380 0.432 13.450 1.00 0.00 H new ATOM 1434 N GLU A 90 14.931 1.829 8.530 1.00 0.00 N ATOM 1435 CA GLU A 90 14.190 2.808 7.717 1.00 0.00 C ATOM 1436 C GLU A 90 13.966 2.258 6.310 1.00 0.00 C ATOM 1437 O GLU A 90 12.910 2.471 5.719 1.00 0.00 O ATOM 1438 CB GLU A 90 14.886 4.188 7.621 1.00 0.00 C ATOM 1439 CG GLU A 90 16.025 4.296 6.608 1.00 0.00 C ATOM 1440 CD GLU A 90 17.268 3.519 6.995 1.00 0.00 C ATOM 1441 OE1 GLU A 90 18.035 4.003 7.857 1.00 0.00 O ATOM 1442 OE2 GLU A 90 17.498 2.433 6.420 1.00 0.00 O ATOM 0 H GLU A 90 14.908 0.884 8.148 1.00 0.00 H new ATOM 0 HA GLU A 90 13.239 2.966 8.226 1.00 0.00 H new ATOM 0 HB2 GLU A 90 14.133 4.936 7.372 1.00 0.00 H new ATOM 0 HB3 GLU A 90 15.277 4.445 8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 90 15.672 3.939 5.640 1.00 0.00 H new ATOM 0 HG3 GLU A 90 16.289 5.346 6.484 1.00 0.00 H new ATOM 1449 N ILE A 91 14.983 1.554 5.794 1.00 0.00 N ATOM 1450 CA ILE A 91 14.977 0.981 4.442 1.00 0.00 C ATOM 1451 C ILE A 91 14.343 1.932 3.416 1.00 0.00 C ATOM 1452 O ILE A 91 14.700 3.110 3.357 1.00 0.00 O ATOM 1453 CB ILE A 91 14.318 -0.428 4.388 1.00 0.00 C ATOM 1454 CG1 ILE A 91 12.887 -0.426 4.953 1.00 0.00 C ATOM 1455 CG2 ILE A 91 15.181 -1.426 5.144 1.00 0.00 C ATOM 1456 CD1 ILE A 91 12.164 -1.747 4.790 1.00 0.00 C ATOM 0 H ILE A 91 15.842 1.365 6.310 1.00 0.00 H new ATOM 0 HA ILE A 91 16.024 0.850 4.168 1.00 0.00 H new ATOM 0 HB ILE A 91 14.247 -0.720 3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.925 -0.171 6.012 1.00 0.00 H new ATOM 0 HG13 ILE A 91 12.312 0.356 4.457 1.00 0.00 H new ATOM 0 HG21 ILE A 91 14.717 -2.412 5.104 1.00 0.00 H new ATOM 0 HG22 ILE A 91 16.170 -1.472 4.687 1.00 0.00 H new ATOM 0 HG23 ILE A 91 15.276 -1.111 6.183 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.162 -1.668 5.212 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.093 -1.995 3.731 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.716 -2.530 5.310 1.00 0.00 H new ATOM 1468 N THR A 92 13.438 1.420 2.600 1.00 0.00 N ATOM 1469 CA THR A 92 12.744 2.225 1.611 1.00 0.00 C ATOM 1470 C THR A 92 11.350 1.644 1.389 1.00 0.00 C ATOM 1471 O THR A 92 11.160 0.431 1.507 1.00 0.00 O ATOM 1472 CB THR A 92 13.536 2.268 0.284 1.00 0.00 C ATOM 1473 OG1 THR A 92 14.876 2.712 0.538 1.00 0.00 O ATOM 1474 CG2 THR A 92 12.887 3.206 -0.724 1.00 0.00 C ATOM 0 H THR A 92 13.164 0.437 2.604 1.00 0.00 H new ATOM 0 HA THR A 92 12.657 3.249 1.975 1.00 0.00 H new ATOM 0 HB THR A 92 13.541 1.261 -0.134 1.00 0.00 H new ATOM 0 HG1 THR A 92 15.377 2.737 -0.304 1.00 0.00 H new ATOM 0 HG21 THR A 92 13.471 3.211 -1.645 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.874 2.865 -0.938 1.00 0.00 H new ATOM 0 HG23 THR A 92 12.851 4.214 -0.312 1.00 0.00 H new ATOM 1482 N PHE A 93 10.377 2.501 1.080 1.00 0.00 N ATOM 1483 CA PHE A 93 8.987 2.074 0.959 1.00 0.00 C ATOM 1484 C PHE A 93 8.827 1.076 -0.183 1.00 0.00 C ATOM 1485 O PHE A 93 7.965 0.193 -0.137 1.00 0.00 O ATOM 1486 CB PHE A 93 8.072 3.284 0.746 1.00 0.00 C ATOM 1487 CG PHE A 93 6.605 2.963 0.828 1.00 0.00 C ATOM 1488 CD1 PHE A 93 6.101 2.230 1.890 1.00 0.00 C ATOM 1489 CD2 PHE A 93 5.729 3.398 -0.154 1.00 0.00 C ATOM 1490 CE1 PHE A 93 4.756 1.935 1.971 1.00 0.00 C ATOM 1491 CE2 PHE A 93 4.380 3.109 -0.078 1.00 0.00 C ATOM 1492 CZ PHE A 93 3.894 2.375 0.988 1.00 0.00 C ATOM 0 H PHE A 93 10.528 3.495 0.909 1.00 0.00 H new ATOM 0 HA PHE A 93 8.698 1.580 1.887 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.310 4.042 1.492 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.284 3.720 -0.230 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.770 1.885 2.665 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.106 3.970 -0.989 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.378 1.360 2.803 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.707 3.455 -0.849 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.840 2.146 1.051 1.00 0.00 H new ATOM 1502 N GLN A 94 9.663 1.225 -1.204 1.00 0.00 N ATOM 1503 CA GLN A 94 9.713 0.270 -2.299 1.00 0.00 C ATOM 1504 C GLN A 94 10.020 -1.126 -1.763 1.00 0.00 C ATOM 1505 O GLN A 94 9.289 -2.073 -2.034 1.00 0.00 O ATOM 1506 CB GLN A 94 10.775 0.691 -3.321 1.00 0.00 C ATOM 1507 CG GLN A 94 10.953 -0.290 -4.468 1.00 0.00 C ATOM 1508 CD GLN A 94 12.042 0.137 -5.432 1.00 0.00 C ATOM 1509 OE1 GLN A 94 11.783 0.832 -6.416 1.00 0.00 O ATOM 1510 NE2 GLN A 94 13.270 -0.262 -5.149 1.00 0.00 N ATOM 0 H GLN A 94 10.317 2.002 -1.294 1.00 0.00 H new ATOM 0 HA GLN A 94 8.742 0.251 -2.793 1.00 0.00 H new ATOM 0 HB2 GLN A 94 10.506 1.666 -3.729 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.729 0.812 -2.809 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.193 -1.274 -4.066 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.011 -0.387 -5.008 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.442 -0.837 -4.324 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.045 0.005 -5.755 1.00 0.00 H new ATOM 1519 N GLU A 95 11.084 -1.230 -0.973 1.00 0.00 N ATOM 1520 CA GLU A 95 11.503 -2.506 -0.396 1.00 0.00 C ATOM 1521 C GLU A 95 10.490 -3.018 0.623 1.00 0.00 C ATOM 1522 O GLU A 95 10.360 -4.226 0.820 1.00 0.00 O ATOM 1523 CB GLU A 95 12.880 -2.378 0.260 1.00 0.00 C ATOM 1524 CG GLU A 95 14.040 -2.428 -0.723 1.00 0.00 C ATOM 1525 CD GLU A 95 13.891 -1.443 -1.862 1.00 0.00 C ATOM 1526 OE1 GLU A 95 13.852 -0.228 -1.596 1.00 0.00 O ATOM 1527 OE2 GLU A 95 13.817 -1.883 -3.026 1.00 0.00 O ATOM 0 H GLU A 95 11.677 -0.441 -0.715 1.00 0.00 H new ATOM 0 HA GLU A 95 11.562 -3.227 -1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.923 -1.438 0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.000 -3.179 0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.969 -2.223 -0.191 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.122 -3.436 -1.130 1.00 0.00 H new ATOM 1534 N TYR A 96 9.782 -2.100 1.265 1.00 0.00 N ATOM 1535 CA TYR A 96 8.740 -2.466 2.214 1.00 0.00 C ATOM 1536 C TYR A 96 7.673 -3.302 1.508 1.00 0.00 C ATOM 1537 O TYR A 96 7.347 -4.407 1.941 1.00 0.00 O ATOM 1538 CB TYR A 96 8.120 -1.207 2.831 1.00 0.00 C ATOM 1539 CG TYR A 96 7.313 -1.461 4.084 1.00 0.00 C ATOM 1540 CD1 TYR A 96 7.935 -1.888 5.246 1.00 0.00 C ATOM 1541 CD2 TYR A 96 5.934 -1.259 4.113 1.00 0.00 C ATOM 1542 CE1 TYR A 96 7.216 -2.111 6.403 1.00 0.00 C ATOM 1543 CE2 TYR A 96 5.206 -1.474 5.273 1.00 0.00 C ATOM 1544 CZ TYR A 96 5.856 -1.901 6.415 1.00 0.00 C ATOM 1545 OH TYR A 96 5.152 -2.110 7.579 1.00 0.00 O ATOM 0 H TYR A 96 9.910 -1.095 1.146 1.00 0.00 H new ATOM 0 HA TYR A 96 9.177 -3.060 3.017 1.00 0.00 H new ATOM 0 HB2 TYR A 96 8.917 -0.500 3.063 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.478 -0.732 2.090 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.003 -2.049 5.247 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.425 -0.930 3.219 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.719 -2.449 7.297 1.00 0.00 H new ATOM 0 HE2 TYR A 96 4.139 -1.309 5.284 1.00 0.00 H new ATOM 0 HH TYR A 96 4.235 -2.379 7.363 1.00 0.00 H new ATOM 1555 N ARG A 97 7.164 -2.782 0.397 1.00 0.00 N ATOM 1556 CA ARG A 97 6.190 -3.506 -0.413 1.00 0.00 C ATOM 1557 C ARG A 97 6.850 -4.662 -1.163 1.00 0.00 C ATOM 1558 O ARG A 97 6.210 -5.667 -1.464 1.00 0.00 O ATOM 1559 CB ARG A 97 5.511 -2.557 -1.407 1.00 0.00 C ATOM 1560 CG ARG A 97 4.429 -1.687 -0.787 1.00 0.00 C ATOM 1561 CD ARG A 97 3.782 -0.779 -1.824 1.00 0.00 C ATOM 1562 NE ARG A 97 2.583 -0.115 -1.311 1.00 0.00 N ATOM 1563 CZ ARG A 97 2.112 1.044 -1.776 1.00 0.00 C ATOM 1564 NH1 ARG A 97 2.766 1.692 -2.739 1.00 0.00 N ATOM 1565 NH2 ARG A 97 0.993 1.555 -1.274 1.00 0.00 N ATOM 0 H ARG A 97 7.410 -1.860 0.036 1.00 0.00 H new ATOM 0 HA ARG A 97 5.436 -3.918 0.258 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.268 -1.914 -1.855 1.00 0.00 H new ATOM 0 HB3 ARG A 97 5.073 -3.144 -2.214 1.00 0.00 H new ATOM 0 HG2 ARG A 97 3.668 -2.320 -0.331 1.00 0.00 H new ATOM 0 HG3 ARG A 97 4.860 -1.082 0.010 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.502 -0.026 -2.144 1.00 0.00 H new ATOM 0 HD3 ARG A 97 3.521 -1.366 -2.705 1.00 0.00 H new ATOM 0 HE ARG A 97 2.075 -0.566 -0.550 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.628 1.302 -3.122 1.00 0.00 H new ATOM 0 HH12 ARG A 97 2.405 2.578 -3.094 1.00 0.00 H new ATOM 0 HH21 ARG A 97 0.494 1.062 -0.534 1.00 0.00 H new ATOM 0 HH22 ARG A 97 0.633 2.441 -1.629 1.00 0.00 H new ATOM 1579 N ARG A 98 8.134 -4.500 -1.456 1.00 0.00 N ATOM 1580 CA ARG A 98 8.916 -5.509 -2.165 1.00 0.00 C ATOM 1581 C ARG A 98 8.964 -6.806 -1.359 1.00 0.00 C ATOM 1582 O ARG A 98 8.697 -7.888 -1.883 1.00 0.00 O ATOM 1583 CB ARG A 98 10.333 -4.970 -2.396 1.00 0.00 C ATOM 1584 CG ARG A 98 11.073 -5.585 -3.570 1.00 0.00 C ATOM 1585 CD ARG A 98 12.400 -4.871 -3.795 1.00 0.00 C ATOM 1586 NE ARG A 98 13.043 -5.261 -5.046 1.00 0.00 N ATOM 1587 CZ ARG A 98 13.997 -4.544 -5.642 1.00 0.00 C ATOM 1588 NH1 ARG A 98 14.396 -3.391 -5.119 1.00 0.00 N ATOM 1589 NH2 ARG A 98 14.548 -4.975 -6.767 1.00 0.00 N ATOM 0 H ARG A 98 8.665 -3.665 -1.209 1.00 0.00 H new ATOM 0 HA ARG A 98 8.448 -5.725 -3.126 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.275 -3.892 -2.548 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.919 -5.133 -1.491 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.250 -6.644 -3.382 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.460 -5.519 -4.469 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.233 -3.794 -3.797 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.070 -5.088 -2.963 1.00 0.00 H new ATOM 0 HE ARG A 98 12.746 -6.130 -5.489 1.00 0.00 H new ATOM 0 HH11 ARG A 98 13.973 -3.049 -4.256 1.00 0.00 H new ATOM 0 HH12 ARG A 98 15.126 -2.848 -5.580 1.00 0.00 H new ATOM 0 HH21 ARG A 98 14.243 -5.857 -7.179 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.277 -4.425 -7.221 1.00 0.00 H new ATOM 1603 N ASN A 99 9.283 -6.683 -0.074 1.00 0.00 N ATOM 1604 CA ASN A 99 9.360 -7.838 0.816 1.00 0.00 C ATOM 1605 C ASN A 99 7.971 -8.376 1.132 1.00 0.00 C ATOM 1606 O ASN A 99 7.798 -9.570 1.376 1.00 0.00 O ATOM 1607 CB ASN A 99 10.101 -7.480 2.107 1.00 0.00 C ATOM 1608 CG ASN A 99 11.573 -7.222 1.867 1.00 0.00 C ATOM 1609 OD1 ASN A 99 12.178 -7.806 0.967 1.00 0.00 O ATOM 1610 ND2 ASN A 99 12.161 -6.342 2.662 1.00 0.00 N ATOM 0 H ASN A 99 9.493 -5.792 0.376 1.00 0.00 H new ATOM 0 HA ASN A 99 9.920 -8.620 0.302 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.646 -6.595 2.552 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.988 -8.292 2.826 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.150 -6.126 2.541 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.625 -5.880 3.396 1.00 0.00 H new ATOM 1617 N LEU A 100 6.980 -7.492 1.122 1.00 0.00 N ATOM 1618 CA LEU A 100 5.589 -7.902 1.290 1.00 0.00 C ATOM 1619 C LEU A 100 5.157 -8.807 0.144 1.00 0.00 C ATOM 1620 O LEU A 100 4.472 -9.811 0.355 1.00 0.00 O ATOM 1621 CB LEU A 100 4.676 -6.678 1.370 1.00 0.00 C ATOM 1622 CG LEU A 100 4.731 -5.923 2.695 1.00 0.00 C ATOM 1623 CD1 LEU A 100 4.037 -4.582 2.572 1.00 0.00 C ATOM 1624 CD2 LEU A 100 4.088 -6.750 3.794 1.00 0.00 C ATOM 0 H LEU A 100 7.112 -6.488 1.000 1.00 0.00 H new ATOM 0 HA LEU A 100 5.507 -8.459 2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.941 -5.992 0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.649 -6.996 1.192 1.00 0.00 H new ATOM 0 HG LEU A 100 5.776 -5.747 2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.086 -4.058 3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.531 -3.986 1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.994 -4.736 2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.133 -6.202 4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.047 -6.948 3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.622 -7.694 3.898 1.00 0.00 H new ATOM 1636 N ALA A 101 5.575 -8.453 -1.065 1.00 0.00 N ATOM 1637 CA ALA A 101 5.307 -9.266 -2.241 1.00 0.00 C ATOM 1638 C ALA A 101 5.975 -10.630 -2.105 1.00 0.00 C ATOM 1639 O ALA A 101 5.431 -11.649 -2.531 1.00 0.00 O ATOM 1640 CB ALA A 101 5.794 -8.553 -3.493 1.00 0.00 C ATOM 0 H ALA A 101 6.104 -7.602 -1.256 1.00 0.00 H new ATOM 0 HA ALA A 101 4.231 -9.418 -2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.588 -9.171 -4.367 1.00 0.00 H new ATOM 0 HB2 ALA A 101 5.276 -7.599 -3.593 1.00 0.00 H new ATOM 0 HB3 ALA A 101 6.867 -8.377 -3.418 1.00 0.00 H new ATOM 1646 N LYS A 102 7.153 -10.637 -1.490 1.00 0.00 N ATOM 1647 CA LYS A 102 7.893 -11.870 -1.239 1.00 0.00 C ATOM 1648 C LYS A 102 7.194 -12.716 -0.177 1.00 0.00 C ATOM 1649 O LYS A 102 7.337 -13.942 -0.148 1.00 0.00 O ATOM 1650 CB LYS A 102 9.322 -11.550 -0.790 1.00 0.00 C ATOM 1651 CG LYS A 102 10.137 -10.806 -1.838 1.00 0.00 C ATOM 1652 CD LYS A 102 10.433 -11.677 -3.050 1.00 0.00 C ATOM 1653 CE LYS A 102 11.709 -12.494 -2.878 1.00 0.00 C ATOM 1654 NZ LYS A 102 11.638 -13.443 -1.735 1.00 0.00 N ATOM 0 H LYS A 102 7.620 -9.795 -1.153 1.00 0.00 H new ATOM 0 HA LYS A 102 7.929 -12.439 -2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.283 -10.951 0.120 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.832 -12.480 -0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.594 -9.915 -2.155 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.074 -10.468 -1.396 1.00 0.00 H new ATOM 0 HD2 LYS A 102 9.594 -12.350 -3.224 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.525 -11.046 -3.934 1.00 0.00 H new ATOM 0 HE2 LYS A 102 11.904 -13.051 -3.795 1.00 0.00 H new ATOM 0 HE3 LYS A 102 12.551 -11.817 -2.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.330 -14.207 -1.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.853 -12.939 -0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.682 -13.848 -1.679 1.00 0.00 H new ATOM 1668 N ALA A 103 6.444 -12.054 0.698 1.00 0.00 N ATOM 1669 CA ALA A 103 5.706 -12.732 1.753 1.00 0.00 C ATOM 1670 C ALA A 103 4.421 -13.344 1.211 1.00 0.00 C ATOM 1671 O ALA A 103 3.858 -14.264 1.809 1.00 0.00 O ATOM 1672 CB ALA A 103 5.390 -11.765 2.887 1.00 0.00 C ATOM 0 H ALA A 103 6.332 -11.040 0.695 1.00 0.00 H new ATOM 0 HA ALA A 103 6.332 -13.536 2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.838 -12.288 3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.319 -11.373 3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.787 -10.941 2.505 1.00 0.00 H new ATOM 1678 N GLY A 104 3.967 -12.831 0.074 1.00 0.00 N ATOM 1679 CA GLY A 104 2.759 -13.339 -0.539 1.00 0.00 C ATOM 1680 C GLY A 104 1.622 -12.340 -0.500 1.00 0.00 C ATOM 1681 O GLY A 104 0.475 -12.681 -0.802 1.00 0.00 O ATOM 0 H GLY A 104 4.417 -12.070 -0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.967 -13.607 -1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 104 2.453 -14.252 -0.028 1.00 0.00 H new ATOM 1685 N VAL A 105 1.929 -11.107 -0.123 1.00 0.00 N ATOM 1686 CA VAL A 105 0.925 -10.050 -0.087 1.00 0.00 C ATOM 1687 C VAL A 105 0.637 -9.561 -1.498 1.00 0.00 C ATOM 1688 O VAL A 105 1.509 -9.015 -2.172 1.00 0.00 O ATOM 1689 CB VAL A 105 1.366 -8.864 0.796 1.00 0.00 C ATOM 1690 CG1 VAL A 105 0.306 -7.772 0.813 1.00 0.00 C ATOM 1691 CG2 VAL A 105 1.670 -9.339 2.209 1.00 0.00 C ATOM 0 H VAL A 105 2.863 -10.813 0.162 1.00 0.00 H new ATOM 0 HA VAL A 105 0.020 -10.471 0.351 1.00 0.00 H new ATOM 0 HB VAL A 105 2.275 -8.442 0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.642 -6.948 1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.141 -7.409 -0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.626 -8.175 1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.980 -8.491 2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.777 -9.790 2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.472 -10.077 2.180 1.00 0.00 H new ATOM 1701 N PHE A 106 -0.587 -9.776 -1.945 1.00 0.00 N ATOM 1702 CA PHE A 106 -0.977 -9.404 -3.293 1.00 0.00 C ATOM 1703 C PHE A 106 -1.898 -8.187 -3.261 1.00 0.00 C ATOM 1704 O PHE A 106 -1.964 -7.415 -4.218 1.00 0.00 O ATOM 1705 CB PHE A 106 -1.674 -10.585 -3.976 1.00 0.00 C ATOM 1706 CG PHE A 106 -1.891 -10.401 -5.455 1.00 0.00 C ATOM 1707 CD1 PHE A 106 -0.903 -10.757 -6.359 1.00 0.00 C ATOM 1708 CD2 PHE A 106 -3.079 -9.877 -5.942 1.00 0.00 C ATOM 1709 CE1 PHE A 106 -1.092 -10.594 -7.717 1.00 0.00 C ATOM 1710 CE2 PHE A 106 -3.274 -9.712 -7.301 1.00 0.00 C ATOM 1711 CZ PHE A 106 -2.280 -10.072 -8.189 1.00 0.00 C ATOM 0 H PHE A 106 -1.329 -10.207 -1.394 1.00 0.00 H new ATOM 0 HA PHE A 106 -0.085 -9.144 -3.862 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -1.080 -11.485 -3.816 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -2.639 -10.750 -3.496 1.00 0.00 H new ATOM 0 HD1 PHE A 106 0.028 -11.168 -5.996 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -3.861 -9.595 -5.252 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.312 -10.874 -8.409 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -4.203 -9.302 -7.668 1.00 0.00 H new ATOM 0 HZ PHE A 106 -2.431 -9.946 -9.251 1.00 0.00 H new ATOM 1721 N ARG A 107 -2.607 -8.017 -2.150 1.00 0.00 N ATOM 1722 CA ARG A 107 -3.538 -6.905 -2.012 1.00 0.00 C ATOM 1723 C ARG A 107 -3.147 -5.992 -0.859 1.00 0.00 C ATOM 1724 O ARG A 107 -3.194 -6.385 0.308 1.00 0.00 O ATOM 1725 CB ARG A 107 -4.979 -7.395 -1.812 1.00 0.00 C ATOM 1726 CG ARG A 107 -5.881 -7.116 -3.003 1.00 0.00 C ATOM 1727 CD ARG A 107 -5.625 -8.088 -4.139 1.00 0.00 C ATOM 1728 NE ARG A 107 -6.562 -9.211 -4.116 1.00 0.00 N ATOM 1729 CZ ARG A 107 -6.257 -10.437 -3.698 1.00 0.00 C ATOM 1730 NH1 ARG A 107 -5.053 -10.686 -3.203 1.00 0.00 N ATOM 1731 NH2 ARG A 107 -7.164 -11.407 -3.771 1.00 0.00 N ATOM 0 H ARG A 107 -2.555 -8.631 -1.337 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.488 -6.339 -2.942 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.967 -8.468 -1.618 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.399 -6.916 -0.927 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.924 -7.184 -2.694 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.718 -6.096 -3.352 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -5.709 -7.564 -5.091 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -4.604 -8.465 -4.072 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.514 -9.043 -4.442 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -4.362 -9.938 -3.143 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -4.818 -11.625 -2.882 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.092 -11.211 -4.147 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -6.932 -12.347 -3.451 1.00 0.00 H new ATOM 1745 N TRP A 108 -2.749 -4.780 -1.211 1.00 0.00 N ATOM 1746 CA TRP A 108 -2.469 -3.729 -0.248 1.00 0.00 C ATOM 1747 C TRP A 108 -3.721 -2.868 -0.083 1.00 0.00 C ATOM 1748 O TRP A 108 -4.004 -2.002 -0.909 1.00 0.00 O ATOM 1749 CB TRP A 108 -1.280 -2.889 -0.751 1.00 0.00 C ATOM 1750 CG TRP A 108 -0.941 -1.679 0.081 1.00 0.00 C ATOM 1751 CD1 TRP A 108 -1.642 -0.511 0.159 1.00 0.00 C ATOM 1752 CD2 TRP A 108 0.211 -1.508 0.915 1.00 0.00 C ATOM 1753 NE1 TRP A 108 -1.009 0.364 1.003 1.00 0.00 N ATOM 1754 CE2 TRP A 108 0.128 -0.221 1.482 1.00 0.00 C ATOM 1755 CE3 TRP A 108 1.297 -2.317 1.243 1.00 0.00 C ATOM 1756 CZ2 TRP A 108 1.091 0.269 2.357 1.00 0.00 C ATOM 1757 CZ3 TRP A 108 2.253 -1.829 2.112 1.00 0.00 C ATOM 1758 CH2 TRP A 108 2.144 -0.545 2.661 1.00 0.00 C ATOM 0 H TRP A 108 -2.610 -4.497 -2.181 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.205 -4.153 0.721 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -0.400 -3.531 -0.802 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -1.495 -2.560 -1.768 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -2.562 -0.306 -0.368 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.335 1.302 1.236 1.00 0.00 H new ATOM 0 HE3 TRP A 108 1.390 -3.308 0.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 1.009 1.259 2.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.099 -2.448 2.373 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.908 -0.192 3.338 1.00 0.00 H new ATOM 1769 N VAL A 109 -4.493 -3.128 0.956 1.00 0.00 N ATOM 1770 CA VAL A 109 -5.745 -2.414 1.155 1.00 0.00 C ATOM 1771 C VAL A 109 -5.657 -1.501 2.369 1.00 0.00 C ATOM 1772 O VAL A 109 -5.700 -1.956 3.508 1.00 0.00 O ATOM 1773 CB VAL A 109 -6.935 -3.384 1.324 1.00 0.00 C ATOM 1774 CG1 VAL A 109 -8.243 -2.617 1.485 1.00 0.00 C ATOM 1775 CG2 VAL A 109 -7.016 -4.338 0.138 1.00 0.00 C ATOM 0 H VAL A 109 -4.279 -3.823 1.672 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.916 -1.813 0.262 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.772 -3.969 2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -9.066 -3.322 1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.184 -1.978 2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.415 -2.002 0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -7.860 -5.015 0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.152 -3.766 -0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.094 -4.916 0.072 1.00 0.00 H new ATOM 1785 N THR A 110 -5.516 -0.213 2.125 1.00 0.00 N ATOM 1786 CA THR A 110 -5.443 0.748 3.209 1.00 0.00 C ATOM 1787 C THR A 110 -6.793 1.417 3.426 1.00 0.00 C ATOM 1788 O THR A 110 -7.213 2.277 2.645 1.00 0.00 O ATOM 1789 CB THR A 110 -4.374 1.826 2.949 1.00 0.00 C ATOM 1790 OG1 THR A 110 -3.108 1.204 2.710 1.00 0.00 O ATOM 1791 CG2 THR A 110 -4.257 2.778 4.129 1.00 0.00 C ATOM 0 H THR A 110 -5.450 0.191 1.191 1.00 0.00 H new ATOM 0 HA THR A 110 -5.161 0.195 4.105 1.00 0.00 H new ATOM 0 HB THR A 110 -4.676 2.399 2.072 1.00 0.00 H new ATOM 0 HG1 THR A 110 -3.102 0.808 1.814 1.00 0.00 H new ATOM 0 HG21 THR A 110 -3.495 3.528 3.917 1.00 0.00 H new ATOM 0 HG22 THR A 110 -5.215 3.271 4.295 1.00 0.00 H new ATOM 0 HG23 THR A 110 -3.977 2.218 5.022 1.00 0.00 H new ATOM 1799 N ASN A 111 -7.473 0.996 4.477 1.00 0.00 N ATOM 1800 CA ASN A 111 -8.726 1.613 4.868 1.00 0.00 C ATOM 1801 C ASN A 111 -8.422 2.741 5.843 1.00 0.00 C ATOM 1802 O ASN A 111 -8.271 2.516 7.045 1.00 0.00 O ATOM 1803 CB ASN A 111 -9.667 0.577 5.502 1.00 0.00 C ATOM 1804 CG ASN A 111 -11.057 1.125 5.791 1.00 0.00 C ATOM 1805 OD1 ASN A 111 -11.231 2.305 6.082 1.00 0.00 O ATOM 1806 ND2 ASN A 111 -12.065 0.264 5.704 1.00 0.00 N ATOM 0 H ASN A 111 -7.176 0.226 5.077 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.232 2.015 3.990 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -9.753 -0.281 4.836 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -9.226 0.216 6.431 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -13.020 0.577 5.881 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.884 -0.710 5.460 1.00 0.00 H new ATOM 1813 N ILE A 112 -8.296 3.953 5.315 1.00 0.00 N ATOM 1814 CA ILE A 112 -7.907 5.102 6.124 1.00 0.00 C ATOM 1815 C ILE A 112 -9.097 5.583 6.948 1.00 0.00 C ATOM 1816 O ILE A 112 -8.938 6.307 7.929 1.00 0.00 O ATOM 1817 CB ILE A 112 -7.355 6.261 5.250 1.00 0.00 C ATOM 1818 CG1 ILE A 112 -6.230 6.996 5.972 1.00 0.00 C ATOM 1819 CG2 ILE A 112 -8.447 7.244 4.874 1.00 0.00 C ATOM 1820 CD1 ILE A 112 -4.987 6.160 6.154 1.00 0.00 C ATOM 0 H ILE A 112 -8.458 4.165 4.331 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.106 4.785 6.792 1.00 0.00 H new ATOM 0 HB ILE A 112 -6.963 5.816 4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.975 7.895 5.411 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.587 7.320 6.949 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.024 8.041 4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -9.223 6.727 4.310 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -8.879 7.671 5.779 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.228 6.745 6.674 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.227 5.273 6.741 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -4.606 5.857 5.179 1.00 0.00 H new ATOM 1832 N HIS A 113 -10.287 5.154 6.550 1.00 0.00 N ATOM 1833 CA HIS A 113 -11.503 5.475 7.280 1.00 0.00 C ATOM 1834 C HIS A 113 -11.454 4.831 8.665 1.00 0.00 C ATOM 1835 O HIS A 113 -12.044 5.332 9.624 1.00 0.00 O ATOM 1836 CB HIS A 113 -12.723 4.977 6.497 1.00 0.00 C ATOM 1837 CG HIS A 113 -14.040 5.460 7.027 1.00 0.00 C ATOM 1838 ND1 HIS A 113 -14.718 4.835 8.047 1.00 0.00 N ATOM 1839 CD2 HIS A 113 -14.813 6.505 6.651 1.00 0.00 C ATOM 1840 CE1 HIS A 113 -15.847 5.471 8.279 1.00 0.00 C ATOM 1841 NE2 HIS A 113 -15.935 6.491 7.445 1.00 0.00 N ATOM 0 H HIS A 113 -10.435 4.579 5.720 1.00 0.00 H new ATOM 0 HA HIS A 113 -11.584 6.555 7.399 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -12.626 5.292 5.458 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -12.722 3.887 6.501 1.00 0.00 H new ATOM 0 HD1 HIS A 113 -14.396 4.006 8.547 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -14.590 7.218 5.871 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -16.579 5.203 9.027 1.00 0.00 H new ATOM 1850 N GLU A 114 -10.740 3.712 8.757 1.00 0.00 N ATOM 1851 CA GLU A 114 -10.561 3.020 10.028 1.00 0.00 C ATOM 1852 C GLU A 114 -9.138 3.208 10.546 1.00 0.00 C ATOM 1853 O GLU A 114 -8.817 2.802 11.665 1.00 0.00 O ATOM 1854 CB GLU A 114 -10.848 1.525 9.873 1.00 0.00 C ATOM 1855 CG GLU A 114 -12.195 1.218 9.243 1.00 0.00 C ATOM 1856 CD GLU A 114 -13.347 1.889 9.956 1.00 0.00 C ATOM 1857 OE1 GLU A 114 -13.509 1.669 11.173 1.00 0.00 O ATOM 1858 OE2 GLU A 114 -14.111 2.618 9.294 1.00 0.00 O ATOM 0 H GLU A 114 -10.276 3.266 7.966 1.00 0.00 H new ATOM 0 HA GLU A 114 -11.263 3.448 10.743 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -10.063 1.076 9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -10.801 1.053 10.854 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -12.184 1.538 8.201 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -12.353 0.140 9.244 1.00 0.00 H new ATOM 1865 N GLN A 115 -8.302 3.838 9.721 1.00 0.00 N ATOM 1866 CA GLN A 115 -6.880 4.018 10.022 1.00 0.00 C ATOM 1867 C GLN A 115 -6.195 2.663 10.202 1.00 0.00 C ATOM 1868 O GLN A 115 -5.458 2.441 11.166 1.00 0.00 O ATOM 1869 CB GLN A 115 -6.692 4.891 11.270 1.00 0.00 C ATOM 1870 CG GLN A 115 -7.249 6.301 11.128 1.00 0.00 C ATOM 1871 CD GLN A 115 -6.523 7.128 10.081 1.00 0.00 C ATOM 1872 OE1 GLN A 115 -5.328 6.955 9.844 1.00 0.00 O ATOM 1873 NE2 GLN A 115 -7.245 8.032 9.440 1.00 0.00 N ATOM 0 H GLN A 115 -8.589 4.237 8.827 1.00 0.00 H new ATOM 0 HA GLN A 115 -6.415 4.529 9.179 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -7.175 4.404 12.118 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -5.629 4.953 11.501 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -8.306 6.243 10.867 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -7.186 6.808 12.091 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -8.234 8.147 9.663 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -6.813 8.614 8.722 1.00 0.00 H new ATOM 1882 N LYS A 116 -6.442 1.752 9.262 1.00 0.00 N ATOM 1883 CA LYS A 116 -5.874 0.410 9.326 1.00 0.00 C ATOM 1884 C LYS A 116 -5.419 -0.053 7.942 1.00 0.00 C ATOM 1885 O LYS A 116 -6.143 0.102 6.955 1.00 0.00 O ATOM 1886 CB LYS A 116 -6.902 -0.578 9.896 1.00 0.00 C ATOM 1887 CG LYS A 116 -7.392 -0.221 11.292 1.00 0.00 C ATOM 1888 CD LYS A 116 -8.561 -1.094 11.727 1.00 0.00 C ATOM 1889 CE LYS A 116 -8.129 -2.522 12.007 1.00 0.00 C ATOM 1890 NZ LYS A 116 -7.279 -2.622 13.226 1.00 0.00 N ATOM 0 H LYS A 116 -7.032 1.921 8.447 1.00 0.00 H new ATOM 0 HA LYS A 116 -5.006 0.440 9.985 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -7.758 -0.626 9.222 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.460 -1.574 9.920 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -6.573 -0.331 12.003 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -7.694 0.826 11.313 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.017 -0.671 12.622 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -9.325 -1.092 10.949 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -9.012 -3.150 12.129 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -7.579 -2.908 11.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -7.161 -3.622 13.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -6.347 -2.202 13.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -7.734 -2.112 14.010 1.00 0.00 H new ATOM 1904 N ARG A 117 -4.213 -0.604 7.872 1.00 0.00 N ATOM 1905 CA ARG A 117 -3.688 -1.147 6.622 1.00 0.00 C ATOM 1906 C ARG A 117 -3.827 -2.663 6.606 1.00 0.00 C ATOM 1907 O ARG A 117 -3.250 -3.356 7.443 1.00 0.00 O ATOM 1908 CB ARG A 117 -2.220 -0.754 6.421 1.00 0.00 C ATOM 1909 CG ARG A 117 -1.997 0.748 6.351 1.00 0.00 C ATOM 1910 CD ARG A 117 -0.655 1.100 5.722 1.00 0.00 C ATOM 1911 NE ARG A 117 0.490 0.667 6.526 1.00 0.00 N ATOM 1912 CZ ARG A 117 1.715 1.176 6.402 1.00 0.00 C ATOM 1913 NH1 ARG A 117 1.951 2.129 5.508 1.00 0.00 N ATOM 1914 NH2 ARG A 117 2.706 0.733 7.163 1.00 0.00 N ATOM 0 H ARG A 117 -3.579 -0.687 8.666 1.00 0.00 H new ATOM 0 HA ARG A 117 -4.270 -0.725 5.802 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -1.628 -1.163 7.239 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -1.853 -1.211 5.502 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -2.799 1.206 5.773 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.047 1.169 7.355 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -0.592 0.641 4.735 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -0.601 2.179 5.576 1.00 0.00 H new ATOM 0 HE ARG A 117 0.341 -0.066 7.220 1.00 0.00 H new ATOM 0 HH11 ARG A 117 1.194 2.472 4.916 1.00 0.00 H new ATOM 0 HH12 ARG A 117 2.889 2.518 5.413 1.00 0.00 H new ATOM 0 HH21 ARG A 117 2.533 -0.002 7.849 1.00 0.00 H new ATOM 0 HH22 ARG A 117 3.641 1.127 7.063 1.00 0.00 H new ATOM 1928 N TYR A 118 -4.598 -3.167 5.657 1.00 0.00 N ATOM 1929 CA TYR A 118 -4.869 -4.595 5.558 1.00 0.00 C ATOM 1930 C TYR A 118 -4.000 -5.240 4.484 1.00 0.00 C ATOM 1931 O TYR A 118 -3.853 -4.703 3.384 1.00 0.00 O ATOM 1932 CB TYR A 118 -6.344 -4.835 5.234 1.00 0.00 C ATOM 1933 CG TYR A 118 -7.296 -4.336 6.294 1.00 0.00 C ATOM 1934 CD1 TYR A 118 -7.789 -3.039 6.258 1.00 0.00 C ATOM 1935 CD2 TYR A 118 -7.703 -5.165 7.328 1.00 0.00 C ATOM 1936 CE1 TYR A 118 -8.661 -2.582 7.225 1.00 0.00 C ATOM 1937 CE2 TYR A 118 -8.576 -4.715 8.299 1.00 0.00 C ATOM 1938 CZ TYR A 118 -9.051 -3.424 8.244 1.00 0.00 C ATOM 1939 OH TYR A 118 -9.919 -2.973 9.211 1.00 0.00 O ATOM 0 H TYR A 118 -5.052 -2.604 4.937 1.00 0.00 H new ATOM 0 HA TYR A 118 -4.632 -5.049 6.520 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -6.581 -4.347 4.289 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -6.504 -5.904 5.090 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -7.485 -2.377 5.461 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -7.332 -6.178 7.375 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -9.036 -1.570 7.183 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -8.885 -5.373 9.098 1.00 0.00 H new ATOM 0 HH TYR A 118 -10.093 -3.691 9.855 1.00 0.00 H new ATOM 1949 N TYR A 119 -3.432 -6.393 4.808 1.00 0.00 N ATOM 1950 CA TYR A 119 -2.586 -7.120 3.872 1.00 0.00 C ATOM 1951 C TYR A 119 -3.198 -8.472 3.536 1.00 0.00 C ATOM 1952 O TYR A 119 -3.359 -9.330 4.412 1.00 0.00 O ATOM 1953 CB TYR A 119 -1.183 -7.304 4.452 1.00 0.00 C ATOM 1954 CG TYR A 119 -0.518 -5.995 4.801 1.00 0.00 C ATOM 1955 CD1 TYR A 119 0.109 -5.236 3.824 1.00 0.00 C ATOM 1956 CD2 TYR A 119 -0.532 -5.508 6.102 1.00 0.00 C ATOM 1957 CE1 TYR A 119 0.705 -4.032 4.134 1.00 0.00 C ATOM 1958 CE2 TYR A 119 0.061 -4.303 6.418 1.00 0.00 C ATOM 1959 CZ TYR A 119 0.679 -3.570 5.429 1.00 0.00 C ATOM 1960 OH TYR A 119 1.269 -2.367 5.736 1.00 0.00 O ATOM 0 H TYR A 119 -3.542 -6.846 5.715 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.511 -6.536 2.954 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -1.243 -7.925 5.346 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -0.565 -7.840 3.732 1.00 0.00 H new ATOM 0 HD1 TYR A 119 0.131 -5.593 2.805 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -1.015 -6.082 6.879 1.00 0.00 H new ATOM 0 HE1 TYR A 119 1.191 -3.453 3.362 1.00 0.00 H new ATOM 0 HE2 TYR A 119 0.041 -3.937 7.434 1.00 0.00 H new ATOM 0 HH TYR A 119 2.081 -2.526 6.261 1.00 0.00 H new ATOM 1970 N TYR A 120 -3.542 -8.651 2.266 1.00 0.00 N ATOM 1971 CA TYR A 120 -4.194 -9.872 1.813 1.00 0.00 C ATOM 1972 C TYR A 120 -3.323 -10.630 0.818 1.00 0.00 C ATOM 1973 O TYR A 120 -2.718 -10.035 -0.079 1.00 0.00 O ATOM 1974 CB TYR A 120 -5.536 -9.549 1.149 1.00 0.00 C ATOM 1975 CG TYR A 120 -6.533 -8.871 2.056 1.00 0.00 C ATOM 1976 CD1 TYR A 120 -7.317 -9.608 2.929 1.00 0.00 C ATOM 1977 CD2 TYR A 120 -6.692 -7.493 2.035 1.00 0.00 C ATOM 1978 CE1 TYR A 120 -8.230 -8.993 3.759 1.00 0.00 C ATOM 1979 CE2 TYR A 120 -7.606 -6.870 2.864 1.00 0.00 C ATOM 1980 CZ TYR A 120 -8.371 -7.624 3.723 1.00 0.00 C ATOM 1981 OH TYR A 120 -9.278 -7.011 4.558 1.00 0.00 O ATOM 0 H TYR A 120 -3.379 -7.963 1.530 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.356 -10.497 2.691 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -5.355 -8.909 0.285 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -5.974 -10.474 0.775 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -7.211 -10.682 2.960 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -6.093 -6.898 1.361 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -8.832 -9.583 4.435 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -7.719 -5.796 2.837 1.00 0.00 H new ATOM 0 HH TYR A 120 -8.799 -6.527 5.262 1.00 0.00 H new ATOM 1991 N THR A 121 -3.272 -11.941 0.976 1.00 0.00 N ATOM 1992 CA THR A 121 -2.635 -12.803 -0.006 1.00 0.00 C ATOM 1993 C THR A 121 -3.606 -13.037 -1.165 1.00 0.00 C ATOM 1994 O THR A 121 -4.709 -12.488 -1.161 1.00 0.00 O ATOM 1995 CB THR A 121 -2.203 -14.149 0.621 1.00 0.00 C ATOM 1996 OG1 THR A 121 -1.461 -14.926 -0.329 1.00 0.00 O ATOM 1997 CG2 THR A 121 -3.410 -14.942 1.101 1.00 0.00 C ATOM 0 H THR A 121 -3.665 -12.434 1.778 1.00 0.00 H new ATOM 0 HA THR A 121 -1.733 -12.314 -0.374 1.00 0.00 H new ATOM 0 HB THR A 121 -1.569 -13.929 1.480 1.00 0.00 H new ATOM 0 HG1 THR A 121 -0.703 -14.401 -0.660 1.00 0.00 H new ATOM 0 HG21 THR A 121 -3.077 -15.884 1.537 1.00 0.00 H new ATOM 0 HG22 THR A 121 -3.949 -14.365 1.852 1.00 0.00 H new ATOM 0 HG23 THR A 121 -4.070 -15.146 0.258 1.00 0.00 H new ATOM 2005 N PHE A 122 -3.214 -13.828 -2.156 1.00 0.00 N ATOM 2006 CA PHE A 122 -4.066 -14.058 -3.323 1.00 0.00 C ATOM 2007 C PHE A 122 -5.407 -14.684 -2.922 1.00 0.00 C ATOM 2008 O PHE A 122 -6.423 -14.440 -3.568 1.00 0.00 O ATOM 2009 CB PHE A 122 -3.351 -14.916 -4.375 1.00 0.00 C ATOM 2010 CG PHE A 122 -2.893 -16.262 -3.885 1.00 0.00 C ATOM 2011 CD1 PHE A 122 -1.660 -16.408 -3.273 1.00 0.00 C ATOM 2012 CD2 PHE A 122 -3.692 -17.383 -4.049 1.00 0.00 C ATOM 2013 CE1 PHE A 122 -1.233 -17.643 -2.831 1.00 0.00 C ATOM 2014 CE2 PHE A 122 -3.269 -18.622 -3.611 1.00 0.00 C ATOM 2015 CZ PHE A 122 -2.039 -18.751 -3.002 1.00 0.00 C ATOM 0 H PHE A 122 -2.320 -14.319 -2.179 1.00 0.00 H new ATOM 0 HA PHE A 122 -4.274 -13.086 -3.771 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -4.022 -15.062 -5.221 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -2.486 -14.366 -4.745 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -1.025 -15.545 -3.140 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -4.657 -17.286 -4.525 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.270 -17.743 -2.352 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -3.900 -19.488 -3.745 1.00 0.00 H new ATOM 0 HZ PHE A 122 -1.706 -19.719 -2.658 1.00 0.00 H new ATOM 2025 N ASP A 123 -5.407 -15.454 -1.831 1.00 0.00 N ATOM 2026 CA ASP A 123 -6.640 -16.044 -1.291 1.00 0.00 C ATOM 2027 C ASP A 123 -7.618 -14.974 -0.817 1.00 0.00 C ATOM 2028 O ASP A 123 -8.797 -15.260 -0.604 1.00 0.00 O ATOM 2029 CB ASP A 123 -6.337 -16.974 -0.113 1.00 0.00 C ATOM 2030 CG ASP A 123 -5.909 -18.361 -0.537 1.00 0.00 C ATOM 2031 OD1 ASP A 123 -6.791 -19.228 -0.713 1.00 0.00 O ATOM 2032 OD2 ASP A 123 -4.694 -18.596 -0.667 1.00 0.00 O ATOM 0 H ASP A 123 -4.566 -15.685 -1.302 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.092 -16.610 -2.105 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -5.551 -16.530 0.498 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -7.224 -17.052 0.516 1.00 0.00 H new ATOM 2037 N ASN A 124 -7.114 -13.753 -0.633 1.00 0.00 N ATOM 2038 CA ASN A 124 -7.897 -12.630 -0.104 1.00 0.00 C ATOM 2039 C ASN A 124 -8.171 -12.850 1.386 1.00 0.00 C ATOM 2040 O ASN A 124 -9.049 -12.230 1.984 1.00 0.00 O ATOM 2041 CB ASN A 124 -9.200 -12.438 -0.902 1.00 0.00 C ATOM 2042 CG ASN A 124 -9.869 -11.098 -0.645 1.00 0.00 C ATOM 2043 OD1 ASN A 124 -9.505 -10.087 -1.245 1.00 0.00 O ATOM 2044 ND2 ASN A 124 -10.863 -11.086 0.228 1.00 0.00 N ATOM 0 H ASN A 124 -6.146 -13.512 -0.847 1.00 0.00 H new ATOM 0 HA ASN A 124 -7.321 -11.711 -0.215 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -8.983 -12.530 -1.966 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -9.895 -13.238 -0.648 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -11.358 -10.216 0.425 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -11.134 -11.946 0.704 1.00 0.00 H new ATOM 2051 N SER A 125 -7.390 -13.739 1.981 1.00 0.00 N ATOM 2052 CA SER A 125 -7.454 -13.969 3.409 1.00 0.00 C ATOM 2053 C SER A 125 -6.617 -12.923 4.127 1.00 0.00 C ATOM 2054 O SER A 125 -5.523 -12.571 3.671 1.00 0.00 O ATOM 2055 CB SER A 125 -6.959 -15.379 3.754 1.00 0.00 C ATOM 2056 OG SER A 125 -7.044 -15.629 5.151 1.00 0.00 O ATOM 0 H SER A 125 -6.703 -14.313 1.491 1.00 0.00 H new ATOM 0 HA SER A 125 -8.491 -13.887 3.735 1.00 0.00 H new ATOM 0 HB2 SER A 125 -7.552 -16.117 3.214 1.00 0.00 H new ATOM 0 HB3 SER A 125 -5.927 -15.495 3.424 1.00 0.00 H new ATOM 0 HG SER A 125 -6.724 -16.535 5.341 1.00 0.00 H new ATOM 2062 N LEU A 126 -7.145 -12.408 5.225 1.00 0.00 N ATOM 2063 CA LEU A 126 -6.449 -11.409 6.012 1.00 0.00 C ATOM 2064 C LEU A 126 -5.202 -12.009 6.648 1.00 0.00 C ATOM 2065 O LEU A 126 -5.292 -12.895 7.503 1.00 0.00 O ATOM 2066 CB LEU A 126 -7.374 -10.844 7.092 1.00 0.00 C ATOM 2067 CG LEU A 126 -6.788 -9.701 7.925 1.00 0.00 C ATOM 2068 CD1 LEU A 126 -6.432 -8.523 7.033 1.00 0.00 C ATOM 2069 CD2 LEU A 126 -7.771 -9.277 9.008 1.00 0.00 C ATOM 0 H LEU A 126 -8.060 -12.669 5.592 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.146 -10.597 5.351 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.289 -10.492 6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.656 -11.654 7.765 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.876 -10.053 8.407 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.017 -7.719 7.641 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.695 -8.836 6.293 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -7.328 -8.168 6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -7.340 -8.464 9.592 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.699 -8.940 8.546 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.978 -10.123 9.663 1.00 0.00 H new ATOM 2081 N LEU A 127 -4.045 -11.544 6.205 1.00 0.00 N ATOM 2082 CA LEU A 127 -2.783 -11.989 6.770 1.00 0.00 C ATOM 2083 C LEU A 127 -2.381 -11.083 7.923 1.00 0.00 C ATOM 2084 O LEU A 127 -2.151 -11.543 9.042 1.00 0.00 O ATOM 2085 CB LEU A 127 -1.678 -11.994 5.707 1.00 0.00 C ATOM 2086 CG LEU A 127 -1.880 -12.961 4.538 1.00 0.00 C ATOM 2087 CD1 LEU A 127 -0.777 -12.778 3.507 1.00 0.00 C ATOM 2088 CD2 LEU A 127 -1.904 -14.403 5.026 1.00 0.00 C ATOM 0 H LEU A 127 -3.954 -10.858 5.455 1.00 0.00 H new ATOM 0 HA LEU A 127 -2.915 -13.007 7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -1.581 -10.985 5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -0.733 -12.235 6.194 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.841 -12.738 4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -0.932 -13.472 2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.797 -11.755 3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 127 0.190 -12.976 3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.049 -15.072 4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.959 -14.637 5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.722 -14.534 5.735 1.00 0.00 H new ATOM 2100 N PHE A 128 -2.320 -9.788 7.656 1.00 0.00 N ATOM 2101 CA PHE A 128 -1.852 -8.834 8.650 1.00 0.00 C ATOM 2102 C PHE A 128 -2.665 -7.547 8.581 1.00 0.00 C ATOM 2103 O PHE A 128 -3.316 -7.267 7.571 1.00 0.00 O ATOM 2104 CB PHE A 128 -0.369 -8.537 8.418 1.00 0.00 C ATOM 2105 CG PHE A 128 0.414 -8.327 9.681 1.00 0.00 C ATOM 2106 CD1 PHE A 128 0.920 -9.414 10.373 1.00 0.00 C ATOM 2107 CD2 PHE A 128 0.649 -7.054 10.173 1.00 0.00 C ATOM 2108 CE1 PHE A 128 1.645 -9.239 11.534 1.00 0.00 C ATOM 2109 CE2 PHE A 128 1.374 -6.869 11.334 1.00 0.00 C ATOM 2110 CZ PHE A 128 1.873 -7.963 12.016 1.00 0.00 C ATOM 0 H PHE A 128 -2.587 -9.374 6.763 1.00 0.00 H new ATOM 0 HA PHE A 128 -1.981 -9.266 9.642 1.00 0.00 H new ATOM 0 HB2 PHE A 128 0.074 -9.362 7.861 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -0.280 -7.647 7.795 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.745 -10.412 9.999 1.00 0.00 H new ATOM 0 HD2 PHE A 128 0.261 -6.197 9.643 1.00 0.00 H new ATOM 0 HE1 PHE A 128 2.033 -10.096 12.065 1.00 0.00 H new ATOM 0 HE2 PHE A 128 1.551 -5.871 11.708 1.00 0.00 H new ATOM 0 HZ PHE A 128 2.440 -7.821 12.924 1.00 0.00 H new ATOM 2120 N THR A 129 -2.640 -6.778 9.662 1.00 0.00 N ATOM 2121 CA THR A 129 -3.341 -5.508 9.715 1.00 0.00 C ATOM 2122 C THR A 129 -2.568 -4.511 10.570 1.00 0.00 C ATOM 2123 O THR A 129 -2.432 -4.691 11.780 1.00 0.00 O ATOM 2124 CB THR A 129 -4.760 -5.669 10.288 1.00 0.00 C ATOM 2125 OG1 THR A 129 -5.476 -6.661 9.543 1.00 0.00 O ATOM 2126 CG2 THR A 129 -5.519 -4.351 10.234 1.00 0.00 C ATOM 0 H THR A 129 -2.138 -7.016 10.517 1.00 0.00 H new ATOM 0 HA THR A 129 -3.418 -5.137 8.693 1.00 0.00 H new ATOM 0 HB THR A 129 -4.674 -5.981 11.329 1.00 0.00 H new ATOM 0 HG1 THR A 129 -6.132 -6.223 8.961 1.00 0.00 H new ATOM 0 HG21 THR A 129 -6.519 -4.490 10.644 1.00 0.00 H new ATOM 0 HG22 THR A 129 -4.988 -3.601 10.820 1.00 0.00 H new ATOM 0 HG23 THR A 129 -5.595 -4.017 9.199 1.00 0.00 H new ATOM 2134 N GLU A 130 -2.051 -3.474 9.932 1.00 0.00 N ATOM 2135 CA GLU A 130 -1.339 -2.423 10.639 1.00 0.00 C ATOM 2136 C GLU A 130 -2.290 -1.296 11.016 1.00 0.00 C ATOM 2137 O GLU A 130 -2.760 -0.553 10.155 1.00 0.00 O ATOM 2138 CB GLU A 130 -0.199 -1.870 9.787 1.00 0.00 C ATOM 2139 CG GLU A 130 0.975 -2.822 9.617 1.00 0.00 C ATOM 2140 CD GLU A 130 2.080 -2.205 8.790 1.00 0.00 C ATOM 2141 OE1 GLU A 130 2.390 -1.018 9.013 1.00 0.00 O ATOM 2142 OE2 GLU A 130 2.631 -2.891 7.904 1.00 0.00 O ATOM 0 H GLU A 130 -2.111 -3.338 8.923 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.919 -2.855 11.547 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -0.589 -1.613 8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.161 -0.945 10.238 1.00 0.00 H new ATOM 0 HG2 GLU A 130 1.365 -3.098 10.597 1.00 0.00 H new ATOM 0 HG3 GLU A 130 0.633 -3.740 9.140 1.00 0.00 H new ATOM 2149 N SER A 131 -2.590 -1.191 12.297 1.00 0.00 N ATOM 2150 CA SER A 131 -3.430 -0.115 12.796 1.00 0.00 C ATOM 2151 C SER A 131 -2.582 1.128 13.048 1.00 0.00 C ATOM 2152 O SER A 131 -1.746 1.145 13.950 1.00 0.00 O ATOM 2153 CB SER A 131 -4.122 -0.564 14.083 1.00 0.00 C ATOM 2154 OG SER A 131 -4.734 -1.834 13.908 1.00 0.00 O ATOM 0 H SER A 131 -2.264 -1.839 13.014 1.00 0.00 H new ATOM 0 HA SER A 131 -4.191 0.130 12.055 1.00 0.00 H new ATOM 0 HB2 SER A 131 -3.395 -0.614 14.894 1.00 0.00 H new ATOM 0 HB3 SER A 131 -4.873 0.170 14.373 1.00 0.00 H new ATOM 0 HG SER A 131 -5.170 -2.105 14.743 1.00 0.00 H new ATOM 2160 N ILE A 132 -2.786 2.158 12.240 1.00 0.00 N ATOM 2161 CA ILE A 132 -1.959 3.352 12.320 1.00 0.00 C ATOM 2162 C ILE A 132 -2.581 4.400 13.240 1.00 0.00 C ATOM 2163 O ILE A 132 -3.710 4.845 13.036 1.00 0.00 O ATOM 2164 CB ILE A 132 -1.685 3.963 10.922 1.00 0.00 C ATOM 2165 CG1 ILE A 132 -2.993 4.228 10.167 1.00 0.00 C ATOM 2166 CG2 ILE A 132 -0.785 3.041 10.114 1.00 0.00 C ATOM 2167 CD1 ILE A 132 -2.800 4.873 8.811 1.00 0.00 C ATOM 0 H ILE A 132 -3.513 2.191 11.525 1.00 0.00 H new ATOM 0 HA ILE A 132 -1.004 3.042 12.744 1.00 0.00 H new ATOM 0 HB ILE A 132 -1.179 4.918 11.063 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -3.523 3.285 10.037 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -3.629 4.870 10.776 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -0.600 3.481 9.134 1.00 0.00 H new ATOM 0 HG22 ILE A 132 0.162 2.907 10.637 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -1.272 2.073 9.991 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -3.771 5.028 8.340 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -2.298 5.833 8.933 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -2.191 4.223 8.182 1.00 0.00 H new ATOM 2179 N GLN A 133 -1.849 4.762 14.279 1.00 0.00 N ATOM 2180 CA GLN A 133 -2.295 5.789 15.201 1.00 0.00 C ATOM 2181 C GLN A 133 -1.445 7.040 15.015 1.00 0.00 C ATOM 2182 O GLN A 133 -0.224 6.956 14.901 1.00 0.00 O ATOM 2183 CB GLN A 133 -2.210 5.291 16.648 1.00 0.00 C ATOM 2184 CG GLN A 133 -2.915 6.192 17.656 1.00 0.00 C ATOM 2185 CD GLN A 133 -4.432 6.028 17.668 1.00 0.00 C ATOM 2186 OE1 GLN A 133 -5.016 5.655 16.536 1.00 0.00 O flip ATOM 2187 NE2 GLN A 133 -5.075 6.230 18.695 1.00 0.00 N flip ATOM 0 H GLN A 133 -0.940 4.358 14.505 1.00 0.00 H new ATOM 0 HA GLN A 133 -3.337 6.029 14.990 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -2.643 4.292 16.704 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -1.161 5.200 16.929 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -2.527 5.980 18.653 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -2.672 7.231 17.434 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -4.596 6.516 19.549 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -6.088 6.112 18.694 1.00 0.00 H new TER 2196 GLN A 133