USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 933 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+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 121 GLN : amide:sc= -0.358 K(o=-0.36,f=-3.8!) USER MOD Set 2.1: A 65 SER OG : rot -121:sc= 1.39 USER MOD Set 2.2: A 108 TYR OH : rot -161:sc= 1.35 USER MOD Set 3.1: A 51 GLN : amide:sc= -1.74 K(o=-1.7,f=-3!) USER MOD Set 3.2: A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 36 CYS SG : rot -131:sc= 1.21 USER MOD Set 4.2: A 39 CYS SG : rot 160:sc= -0.255 USER MOD Set 5.1: A 27 THR OG1 : rot 140:sc= 0 USER MOD Set 5.2: A 59 ASN : amide:sc= -0.207 X(o=-0.21,f=-0.0039) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 128:sc= -0.745 USER MOD Single : A 14 ASN : amide:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -100:sc= 1.85 USER MOD Single : A 41 SER OG : rot -61:sc= 0.604 USER MOD Single : A 45 GLN : amide:sc= -7.62! C(o=-7.6!,f=-9.3!) USER MOD Single : A 46 THR OG1 : rot 74:sc= 0.878 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 93:sc= 0.0114 USER MOD Single : A 62 THR OG1 : rot -102:sc= -1.5 USER MOD Single : A 70 HIS : no HD1:sc=-0.00434 X(o=-0.0043,f=-0.0025) USER MOD Single : A 72 LYS NZ :NH3+ 147:sc= -0.162 (180deg=-1.04) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -5.04! C(o=-5!,f=-6!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 46:sc= 0.13 USER MOD Single : A 95 ASN : amide:sc= -0.735 K(o=-0.74,f=-4.7!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc=-0.000999 K(o=-0.001,f=-0.96) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.595 X(o=-0.6,f=-0.59) USER MOD Single : A 106 SER OG : rot 30:sc= 0.339 USER MOD Single : A 110 SER OG : rot -101:sc= -0.86 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= -0.843 K(o=-0.84,f=-6.9!) USER MOD Single : A 132 GLN : amide:sc= -4.84! C(o=-4.8!,f=-18!) USER MOD ----------------------------------------------------------------- ATOM 124 N LEU A 9 1.004 -0.305 13.462 1.00 0.00 N ATOM 125 CA LEU A 9 0.724 0.908 12.713 1.00 0.00 C ATOM 126 C LEU A 9 -0.790 1.065 12.556 1.00 0.00 C ATOM 127 O LEU A 9 -1.544 0.122 12.789 1.00 0.00 O ATOM 128 CB LEU A 9 1.484 0.906 11.386 1.00 0.00 C ATOM 129 CG LEU A 9 2.855 1.583 11.398 1.00 0.00 C ATOM 130 CD1 LEU A 9 3.526 1.487 10.025 1.00 0.00 C ATOM 131 CD2 LEU A 9 2.749 3.029 11.883 1.00 0.00 C ATOM 0 HA LEU A 9 1.082 1.783 13.256 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.614 -0.128 11.066 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.865 1.397 10.635 1.00 0.00 H new ATOM 0 HG LEU A 9 3.491 1.052 12.106 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.499 1.976 10.061 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.656 0.439 9.756 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.901 1.978 9.279 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.738 3.487 11.882 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.090 3.588 11.219 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.343 3.045 12.895 1.00 0.00 H new ATOM 143 N LYS A 10 -1.190 2.265 12.160 1.00 0.00 N ATOM 144 CA LYS A 10 -2.599 2.559 11.968 1.00 0.00 C ATOM 145 C LYS A 10 -2.793 3.249 10.616 1.00 0.00 C ATOM 146 O LYS A 10 -1.845 3.789 10.050 1.00 0.00 O ATOM 147 CB LYS A 10 -3.146 3.359 13.151 1.00 0.00 C ATOM 148 CG LYS A 10 -3.718 2.431 14.224 1.00 0.00 C ATOM 149 CD LYS A 10 -2.711 2.213 15.354 1.00 0.00 C ATOM 150 CE LYS A 10 -3.346 1.442 16.514 1.00 0.00 C ATOM 151 NZ LYS A 10 -2.844 0.051 16.548 1.00 0.00 N ATOM 0 H LYS A 10 -0.562 3.045 11.967 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.180 1.637 11.941 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.352 3.970 13.580 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.922 4.042 12.805 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.636 2.858 14.628 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.982 1.472 13.778 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.849 1.664 14.976 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.345 3.176 15.710 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.119 1.940 17.457 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.431 1.441 16.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.285 -0.458 17.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.082 -0.426 15.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.811 0.058 16.672 1.00 0.00 H new ATOM 164 N THR A 11 -4.028 3.208 10.138 1.00 0.00 N ATOM 165 CA THR A 11 -4.358 3.822 8.864 1.00 0.00 C ATOM 166 C THR A 11 -4.845 5.257 9.075 1.00 0.00 C ATOM 167 O THR A 11 -4.931 5.729 10.208 1.00 0.00 O ATOM 168 CB THR A 11 -5.381 2.930 8.160 1.00 0.00 C ATOM 169 OG1 THR A 11 -6.410 2.750 9.129 1.00 0.00 O ATOM 170 CG2 THR A 11 -4.852 1.517 7.910 1.00 0.00 C ATOM 0 H THR A 11 -4.812 2.759 10.611 1.00 0.00 H new ATOM 0 HA THR A 11 -3.480 3.901 8.223 1.00 0.00 H new ATOM 0 HB THR A 11 -5.666 3.384 7.211 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.277 2.977 8.732 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.618 0.925 7.408 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.963 1.567 7.282 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.598 1.050 8.862 1.00 0.00 H new ATOM 178 N ALA A 12 -5.154 5.913 7.965 1.00 0.00 N ATOM 179 CA ALA A 12 -5.632 7.284 8.013 1.00 0.00 C ATOM 180 C ALA A 12 -6.976 7.326 8.744 1.00 0.00 C ATOM 181 O ALA A 12 -7.444 8.397 9.128 1.00 0.00 O ATOM 182 CB ALA A 12 -5.723 7.844 6.593 1.00 0.00 C ATOM 0 H ALA A 12 -5.082 5.519 7.027 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.936 7.913 8.567 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.082 8.873 6.630 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.737 7.820 6.129 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.415 7.239 6.007 1.00 0.00 H new ATOM 188 N ASP A 13 -7.559 6.148 8.911 1.00 0.00 N ATOM 189 CA ASP A 13 -8.840 6.038 9.588 1.00 0.00 C ATOM 190 C ASP A 13 -8.607 5.664 11.054 1.00 0.00 C ATOM 191 O ASP A 13 -9.533 5.250 11.748 1.00 0.00 O ATOM 192 CB ASP A 13 -9.706 4.946 8.955 1.00 0.00 C ATOM 193 CG ASP A 13 -11.023 5.435 8.351 1.00 0.00 C ATOM 194 OD1 ASP A 13 -11.062 6.449 7.639 1.00 0.00 O ATOM 195 OD2 ASP A 13 -12.055 4.716 8.641 1.00 0.00 O ATOM 0 H ASP A 13 -7.168 5.262 8.590 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.349 6.998 9.503 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.128 4.451 8.175 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.928 4.194 9.713 1.00 0.00 H new ATOM 201 N ASN A 14 -7.363 5.826 11.482 1.00 0.00 N ATOM 202 CA ASN A 14 -6.996 5.511 12.852 1.00 0.00 C ATOM 203 C ASN A 14 -7.357 4.056 13.150 1.00 0.00 C ATOM 204 O ASN A 14 -7.646 3.706 14.294 1.00 0.00 O ATOM 205 CB ASN A 14 -7.753 6.400 13.843 1.00 0.00 C ATOM 206 CG ASN A 14 -6.788 7.079 14.818 1.00 0.00 C ATOM 207 OD1 ASN A 14 -6.737 8.292 14.935 1.00 0.00 O ATOM 208 ND2 ASN A 14 -6.031 6.231 15.508 1.00 0.00 N ATOM 0 H ASN A 14 -6.597 6.171 10.904 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.925 5.680 12.962 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.319 7.157 13.300 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.474 5.800 14.398 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.356 6.585 16.185 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.126 5.226 15.360 1.00 0.00 H new ATOM 215 N ARG A 15 -7.331 3.245 12.103 1.00 0.00 N ATOM 216 CA ARG A 15 -7.651 1.835 12.239 1.00 0.00 C ATOM 217 C ARG A 15 -6.371 0.998 12.252 1.00 0.00 C ATOM 218 O ARG A 15 -5.330 1.440 11.766 1.00 0.00 O ATOM 219 CB ARG A 15 -8.549 1.361 11.094 1.00 0.00 C ATOM 220 CG ARG A 15 -9.944 1.980 11.201 1.00 0.00 C ATOM 221 CD ARG A 15 -10.845 1.148 12.118 1.00 0.00 C ATOM 222 NE ARG A 15 -11.956 0.559 11.338 1.00 0.00 N ATOM 223 CZ ARG A 15 -13.055 1.243 10.955 1.00 0.00 C ATOM 224 NH1 ARG A 15 -13.200 2.545 11.277 1.00 0.00 N ATOM 225 NH2 ARG A 15 -13.988 0.616 10.261 1.00 0.00 N ATOM 0 H ARG A 15 -7.093 3.538 11.156 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.183 1.706 13.182 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.099 1.631 10.138 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.627 0.274 11.114 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.866 2.996 11.587 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.392 2.049 10.210 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.264 0.357 12.592 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.243 1.774 12.917 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.887 -0.424 11.074 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.476 3.021 11.814 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.034 3.053 10.983 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.871 -0.369 10.023 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.825 1.117 9.963 1.00 0.00 H new ATOM 238 N PRO A 16 -6.490 -0.227 12.831 1.00 0.00 N ATOM 239 CA PRO A 16 -5.355 -1.129 12.915 1.00 0.00 C ATOM 240 C PRO A 16 -5.056 -1.763 11.555 1.00 0.00 C ATOM 241 O PRO A 16 -5.939 -2.355 10.935 1.00 0.00 O ATOM 242 CB PRO A 16 -5.741 -2.150 13.974 1.00 0.00 C ATOM 243 CG PRO A 16 -7.252 -2.059 14.109 1.00 0.00 C ATOM 244 CD PRO A 16 -7.706 -0.783 13.419 1.00 0.00 C ATOM 0 HA PRO A 16 -4.432 -0.619 13.190 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.435 -3.154 13.679 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.250 -1.933 14.923 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.729 -2.928 13.656 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.541 -2.048 15.160 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.456 -0.991 12.656 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.157 -0.088 14.128 1.00 0.00 H new ATOM 252 N ALA A 17 -3.809 -1.617 11.131 1.00 0.00 N ATOM 253 CA ALA A 17 -3.384 -2.167 9.856 1.00 0.00 C ATOM 254 C ALA A 17 -3.569 -3.686 9.873 1.00 0.00 C ATOM 255 O ALA A 17 -3.899 -4.287 8.853 1.00 0.00 O ATOM 256 CB ALA A 17 -1.936 -1.760 9.581 1.00 0.00 C ATOM 0 H ALA A 17 -3.080 -1.126 11.648 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.994 -1.769 9.045 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.617 -2.173 8.624 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.863 -0.673 9.549 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.293 -2.144 10.374 1.00 0.00 H new ATOM 262 N SER A 18 -3.346 -4.263 11.045 1.00 0.00 N ATOM 263 CA SER A 18 -3.484 -5.700 11.210 1.00 0.00 C ATOM 264 C SER A 18 -4.835 -6.163 10.663 1.00 0.00 C ATOM 265 O SER A 18 -4.967 -7.293 10.197 1.00 0.00 O ATOM 266 CB SER A 18 -3.340 -6.103 12.679 1.00 0.00 C ATOM 267 OG SER A 18 -3.148 -7.507 12.831 1.00 0.00 O ATOM 0 H SER A 18 -3.071 -3.761 11.889 1.00 0.00 H new ATOM 0 HA SER A 18 -2.686 -6.186 10.648 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.496 -5.572 13.120 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.231 -5.797 13.228 1.00 0.00 H new ATOM 0 HG SER A 18 -3.059 -7.724 13.783 1.00 0.00 H new ATOM 273 N VAL A 19 -5.807 -5.265 10.738 1.00 0.00 N ATOM 274 CA VAL A 19 -7.144 -5.567 10.256 1.00 0.00 C ATOM 275 C VAL A 19 -7.087 -5.860 8.756 1.00 0.00 C ATOM 276 O VAL A 19 -7.821 -6.713 8.259 1.00 0.00 O ATOM 277 CB VAL A 19 -8.097 -4.422 10.607 1.00 0.00 C ATOM 278 CG1 VAL A 19 -8.375 -3.547 9.383 1.00 0.00 C ATOM 279 CG2 VAL A 19 -9.400 -4.957 11.205 1.00 0.00 C ATOM 0 H VAL A 19 -5.695 -4.328 11.125 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.535 -6.459 10.746 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.612 -3.801 11.361 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.055 -2.741 9.659 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.439 -3.124 9.018 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.829 -4.152 8.599 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.059 -4.123 11.446 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.890 -5.611 10.483 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.180 -5.519 12.113 1.00 0.00 H new ATOM 289 N TYR A 20 -6.209 -5.136 8.077 1.00 0.00 N ATOM 290 CA TYR A 20 -6.046 -5.309 6.644 1.00 0.00 C ATOM 291 C TYR A 20 -4.904 -6.277 6.334 1.00 0.00 C ATOM 292 O TYR A 20 -4.375 -6.285 5.223 1.00 0.00 O ATOM 293 CB TYR A 20 -5.691 -3.927 6.092 1.00 0.00 C ATOM 294 CG TYR A 20 -6.900 -3.018 5.862 1.00 0.00 C ATOM 295 CD1 TYR A 20 -7.908 -3.412 5.004 1.00 0.00 C ATOM 296 CD2 TYR A 20 -6.984 -1.805 6.515 1.00 0.00 C ATOM 297 CE1 TYR A 20 -9.046 -2.556 4.790 1.00 0.00 C ATOM 298 CE2 TYR A 20 -8.123 -0.949 6.299 1.00 0.00 C ATOM 299 CZ TYR A 20 -9.097 -1.367 5.448 1.00 0.00 C ATOM 300 OH TYR A 20 -10.174 -0.559 5.245 1.00 0.00 O ATOM 0 H TYR A 20 -5.603 -4.429 8.493 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.954 -5.717 6.201 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.007 -3.436 6.784 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.158 -4.050 5.149 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.843 -4.362 4.494 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.197 -1.498 7.187 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -9.841 -2.852 4.122 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -8.201 0.003 6.802 1.00 0.00 H new ATOM 0 HH TYR A 20 -10.077 0.256 5.780 1.00 0.00 H new ATOM 310 N LEU A 21 -4.556 -7.074 7.335 1.00 0.00 N ATOM 311 CA LEU A 21 -3.487 -8.044 7.183 1.00 0.00 C ATOM 312 C LEU A 21 -4.046 -9.451 7.404 1.00 0.00 C ATOM 313 O LEU A 21 -4.573 -9.752 8.475 1.00 0.00 O ATOM 314 CB LEU A 21 -2.314 -7.697 8.102 1.00 0.00 C ATOM 315 CG LEU A 21 -1.031 -7.235 7.407 1.00 0.00 C ATOM 316 CD1 LEU A 21 -0.561 -8.270 6.383 1.00 0.00 C ATOM 317 CD2 LEU A 21 -1.214 -5.852 6.781 1.00 0.00 C ATOM 0 H LEU A 21 -4.997 -7.067 8.255 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.087 -8.015 6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.635 -6.913 8.787 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.081 -8.573 8.707 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.247 -7.146 8.159 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.352 -7.918 5.903 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.365 -9.217 6.886 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.335 -8.413 5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.288 -5.548 6.294 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.016 -5.889 6.044 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.469 -5.132 7.558 1.00 0.00 H new ATOM 329 N LYS A 22 -3.913 -10.274 6.376 1.00 0.00 N ATOM 330 CA LYS A 22 -4.397 -11.643 6.445 1.00 0.00 C ATOM 331 C LYS A 22 -3.236 -12.574 6.798 1.00 0.00 C ATOM 332 O LYS A 22 -2.377 -12.846 5.961 1.00 0.00 O ATOM 333 CB LYS A 22 -5.117 -12.022 5.148 1.00 0.00 C ATOM 334 CG LYS A 22 -6.270 -12.990 5.423 1.00 0.00 C ATOM 335 CD LYS A 22 -7.622 -12.290 5.269 1.00 0.00 C ATOM 336 CE LYS A 22 -8.316 -12.133 6.624 1.00 0.00 C ATOM 337 NZ LYS A 22 -9.759 -11.859 6.438 1.00 0.00 N ATOM 0 H LYS A 22 -3.477 -10.020 5.490 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.139 -11.745 7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.500 -11.123 4.664 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.410 -12.480 4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.213 -13.834 4.735 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.178 -13.394 6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.478 -11.310 4.814 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.258 -12.864 4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.185 -13.040 7.214 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.854 -11.320 7.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.215 -11.755 7.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.878 -10.981 5.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.199 -12.648 5.923 1.00 0.00 H new ATOM 350 N LYS A 23 -3.248 -13.037 8.039 1.00 0.00 N ATOM 351 CA LYS A 23 -2.207 -13.933 8.514 1.00 0.00 C ATOM 352 C LYS A 23 -2.363 -15.295 7.836 1.00 0.00 C ATOM 353 O LYS A 23 -2.489 -16.317 8.510 1.00 0.00 O ATOM 354 CB LYS A 23 -2.214 -14.000 10.043 1.00 0.00 C ATOM 355 CG LYS A 23 -0.807 -13.796 10.608 1.00 0.00 C ATOM 356 CD LYS A 23 -0.665 -12.407 11.234 1.00 0.00 C ATOM 357 CE LYS A 23 -0.583 -12.499 12.759 1.00 0.00 C ATOM 358 NZ LYS A 23 0.758 -12.086 13.232 1.00 0.00 N ATOM 0 H LYS A 23 -3.962 -12.809 8.730 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.223 -13.553 8.240 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.883 -13.237 10.441 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.603 -14.966 10.366 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.597 -14.560 11.357 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.071 -13.918 9.814 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.230 -11.919 10.847 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.515 -11.787 10.949 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.346 -11.863 13.209 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.790 -13.520 13.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.797 -12.154 14.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.480 -12.709 12.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.941 -11.104 12.943 1.00 0.00 H new ATOM 371 N ASP A 24 -2.349 -15.266 6.512 1.00 0.00 N ATOM 372 CA ASP A 24 -2.489 -16.487 5.736 1.00 0.00 C ATOM 373 C ASP A 24 -2.704 -16.128 4.264 1.00 0.00 C ATOM 374 O ASP A 24 -3.477 -16.786 3.568 1.00 0.00 O ATOM 375 CB ASP A 24 -3.694 -17.303 6.205 1.00 0.00 C ATOM 376 CG ASP A 24 -3.409 -18.783 6.474 1.00 0.00 C ATOM 377 OD1 ASP A 24 -3.402 -19.231 7.629 1.00 0.00 O ATOM 378 OD2 ASP A 24 -3.184 -19.494 5.421 1.00 0.00 O ATOM 0 H ASP A 24 -2.243 -14.417 5.957 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.582 -17.077 5.868 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.086 -16.853 7.117 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.478 -17.231 5.451 1.00 0.00 H new ATOM 384 N LYS A 25 -2.007 -15.087 3.834 1.00 0.00 N ATOM 385 CA LYS A 25 -2.113 -14.633 2.457 1.00 0.00 C ATOM 386 C LYS A 25 -1.034 -13.582 2.187 1.00 0.00 C ATOM 387 O LYS A 25 -0.462 -13.021 3.119 1.00 0.00 O ATOM 388 CB LYS A 25 -3.533 -14.148 2.161 1.00 0.00 C ATOM 389 CG LYS A 25 -4.336 -15.216 1.416 1.00 0.00 C ATOM 390 CD LYS A 25 -5.748 -15.340 1.989 1.00 0.00 C ATOM 391 CE LYS A 25 -6.789 -15.418 0.871 1.00 0.00 C ATOM 392 NZ LYS A 25 -7.778 -16.481 1.156 1.00 0.00 N ATOM 0 H LYS A 25 -1.367 -14.545 4.414 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.933 -15.458 1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.036 -13.895 3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.492 -13.237 1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.390 -14.962 0.357 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.825 -16.176 1.488 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.814 -16.230 2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.961 -14.484 2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.296 -14.458 0.771 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.295 -15.618 -0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.477 -16.520 0.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.292 -17.397 1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.262 -16.274 2.053 1.00 0.00 H new ATOM 405 N PRO A 26 -0.781 -13.342 0.872 1.00 0.00 N ATOM 406 CA PRO A 26 0.218 -12.369 0.468 1.00 0.00 C ATOM 407 C PRO A 26 -0.294 -10.941 0.667 1.00 0.00 C ATOM 408 O PRO A 26 -1.473 -10.665 0.447 1.00 0.00 O ATOM 409 CB PRO A 26 0.519 -12.695 -0.986 1.00 0.00 C ATOM 410 CG PRO A 26 -0.651 -13.533 -1.476 1.00 0.00 C ATOM 411 CD PRO A 26 -1.441 -13.988 -0.259 1.00 0.00 C ATOM 0 HA PRO A 26 1.125 -12.423 1.071 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.622 -11.785 -1.577 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.457 -13.243 -1.077 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.284 -12.951 -2.146 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.294 -14.393 -2.043 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.487 -13.689 -0.331 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.426 -15.073 -0.160 1.00 0.00 H new ATOM 419 N THR A 27 0.616 -10.072 1.078 1.00 0.00 N ATOM 420 CA THR A 27 0.270 -8.679 1.309 1.00 0.00 C ATOM 421 C THR A 27 1.054 -7.772 0.359 1.00 0.00 C ATOM 422 O THR A 27 2.282 -7.825 0.315 1.00 0.00 O ATOM 423 CB THR A 27 0.517 -8.369 2.787 1.00 0.00 C ATOM 424 OG1 THR A 27 -0.168 -9.411 3.478 1.00 0.00 O ATOM 425 CG2 THR A 27 -0.189 -7.092 3.243 1.00 0.00 C ATOM 0 H THR A 27 1.593 -10.304 1.257 1.00 0.00 H new ATOM 0 HA THR A 27 -0.782 -8.491 1.095 1.00 0.00 H new ATOM 0 HB THR A 27 1.588 -8.274 2.965 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.371 -9.706 4.242 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.019 -6.918 4.299 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.174 -6.247 2.658 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.264 -7.199 3.098 1.00 0.00 H new ATOM 433 N LEU A 28 0.312 -6.958 -0.378 1.00 0.00 N ATOM 434 CA LEU A 28 0.921 -6.039 -1.324 1.00 0.00 C ATOM 435 C LEU A 28 0.807 -4.611 -0.788 1.00 0.00 C ATOM 436 O LEU A 28 -0.281 -4.166 -0.425 1.00 0.00 O ATOM 437 CB LEU A 28 0.315 -6.225 -2.716 1.00 0.00 C ATOM 438 CG LEU A 28 1.114 -5.633 -3.881 1.00 0.00 C ATOM 439 CD1 LEU A 28 2.401 -6.424 -4.118 1.00 0.00 C ATOM 440 CD2 LEU A 28 0.255 -5.540 -5.142 1.00 0.00 C ATOM 0 H LEU A 28 -0.706 -6.916 -0.339 1.00 0.00 H new ATOM 0 HA LEU A 28 1.984 -6.253 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.187 -7.293 -2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.680 -5.779 -2.720 1.00 0.00 H new ATOM 0 HG LEU A 28 1.406 -4.617 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.951 -5.984 -4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.017 -6.394 -3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.154 -7.459 -4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.846 -5.117 -5.954 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.087 -6.536 -5.423 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.607 -4.901 -4.949 1.00 0.00 H new ATOM 452 N ILE A 29 1.945 -3.932 -0.756 1.00 0.00 N ATOM 453 CA ILE A 29 1.986 -2.563 -0.270 1.00 0.00 C ATOM 454 C ILE A 29 2.192 -1.614 -1.451 1.00 0.00 C ATOM 455 O ILE A 29 2.808 -1.983 -2.450 1.00 0.00 O ATOM 456 CB ILE A 29 3.042 -2.416 0.827 1.00 0.00 C ATOM 457 CG1 ILE A 29 2.850 -3.473 1.918 1.00 0.00 C ATOM 458 CG2 ILE A 29 3.045 -0.997 1.399 1.00 0.00 C ATOM 459 CD1 ILE A 29 4.106 -4.331 2.076 1.00 0.00 C ATOM 0 H ILE A 29 2.845 -4.304 -1.059 1.00 0.00 H new ATOM 0 HA ILE A 29 1.037 -2.295 0.194 1.00 0.00 H new ATOM 0 HB ILE A 29 4.022 -2.586 0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.617 -2.986 2.865 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.000 -4.108 1.669 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.805 -0.920 2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.266 -0.285 0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.066 -0.774 1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.943 -5.074 2.857 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.323 -4.836 1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.949 -3.696 2.349 1.00 0.00 H new ATOM 471 N LYS A 30 1.661 -0.408 -1.299 1.00 0.00 N ATOM 472 CA LYS A 30 1.778 0.597 -2.342 1.00 0.00 C ATOM 473 C LYS A 30 2.071 1.956 -1.702 1.00 0.00 C ATOM 474 O LYS A 30 1.210 2.532 -1.039 1.00 0.00 O ATOM 475 CB LYS A 30 0.534 0.592 -3.233 1.00 0.00 C ATOM 476 CG LYS A 30 0.411 1.904 -4.010 1.00 0.00 C ATOM 477 CD LYS A 30 -0.207 1.669 -5.390 1.00 0.00 C ATOM 478 CE LYS A 30 -0.789 2.965 -5.957 1.00 0.00 C ATOM 479 NZ LYS A 30 0.007 3.427 -7.116 1.00 0.00 N ATOM 0 H LYS A 30 1.149 -0.105 -0.470 1.00 0.00 H new ATOM 0 HA LYS A 30 2.615 0.367 -3.002 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.585 -0.244 -3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.356 0.443 -2.621 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.203 2.607 -3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.395 2.358 -4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.550 1.278 -6.070 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.991 0.915 -5.318 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.824 2.804 -6.260 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.799 3.735 -5.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.402 4.308 -7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.988 3.600 -6.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.005 2.698 -7.858 1.00 0.00 H new ATOM 492 N PHE A 31 3.289 2.428 -1.925 1.00 0.00 N ATOM 493 CA PHE A 31 3.706 3.709 -1.380 1.00 0.00 C ATOM 494 C PHE A 31 3.251 4.861 -2.277 1.00 0.00 C ATOM 495 O PHE A 31 3.530 4.867 -3.476 1.00 0.00 O ATOM 496 CB PHE A 31 5.234 3.694 -1.322 1.00 0.00 C ATOM 497 CG PHE A 31 5.816 2.520 -0.532 1.00 0.00 C ATOM 498 CD1 PHE A 31 6.011 1.320 -1.141 1.00 0.00 C ATOM 499 CD2 PHE A 31 6.140 2.677 0.779 1.00 0.00 C ATOM 500 CE1 PHE A 31 6.552 0.230 -0.408 1.00 0.00 C ATOM 501 CE2 PHE A 31 6.679 1.587 1.512 1.00 0.00 C ATOM 502 CZ PHE A 31 6.874 0.388 0.903 1.00 0.00 C ATOM 0 H PHE A 31 4.000 1.947 -2.475 1.00 0.00 H new ATOM 0 HA PHE A 31 3.264 3.856 -0.395 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.626 3.664 -2.339 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.579 4.626 -0.875 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.754 1.195 -2.183 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.987 3.630 1.263 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.707 -0.723 -0.892 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.934 1.711 2.554 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.285 -0.440 1.461 1.00 0.00 H new ATOM 512 N TRP A 32 2.559 5.810 -1.663 1.00 0.00 N ATOM 513 CA TRP A 32 2.065 6.966 -2.392 1.00 0.00 C ATOM 514 C TRP A 32 2.376 8.215 -1.566 1.00 0.00 C ATOM 515 O TRP A 32 2.732 8.115 -0.393 1.00 0.00 O ATOM 516 CB TRP A 32 0.576 6.816 -2.710 1.00 0.00 C ATOM 517 CG TRP A 32 -0.315 6.688 -1.473 1.00 0.00 C ATOM 518 CD1 TRP A 32 -0.293 5.730 -0.536 1.00 0.00 C ATOM 519 CD2 TRP A 32 -1.369 7.589 -1.075 1.00 0.00 C ATOM 520 NE1 TRP A 32 -1.250 5.948 0.434 1.00 0.00 N ATOM 521 CE2 TRP A 32 -1.926 7.116 0.095 1.00 0.00 C ATOM 522 CE3 TRP A 32 -1.837 8.768 -1.684 1.00 0.00 C ATOM 523 CZ2 TRP A 32 -2.978 7.756 0.757 1.00 0.00 C ATOM 524 CZ3 TRP A 32 -2.890 9.397 -1.009 1.00 0.00 C ATOM 525 CH2 TRP A 32 -3.461 8.932 0.170 1.00 0.00 C ATOM 0 H TRP A 32 2.329 5.802 -0.669 1.00 0.00 H new ATOM 0 HA TRP A 32 2.563 7.055 -3.358 1.00 0.00 H new ATOM 0 HB2 TRP A 32 0.251 7.678 -3.292 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.436 5.936 -3.338 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.388 4.892 -0.540 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.429 5.361 1.249 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -1.417 9.157 -2.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -3.396 7.364 1.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -3.286 10.307 -1.434 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -4.273 9.475 0.631 1.00 0.00 H new ATOM 536 N ALA A 33 2.232 9.363 -2.211 1.00 0.00 N ATOM 537 CA ALA A 33 2.494 10.631 -1.550 1.00 0.00 C ATOM 538 C ALA A 33 1.422 11.643 -1.957 1.00 0.00 C ATOM 539 O ALA A 33 1.032 11.706 -3.122 1.00 0.00 O ATOM 540 CB ALA A 33 3.906 11.105 -1.897 1.00 0.00 C ATOM 0 H ALA A 33 1.937 9.442 -3.184 1.00 0.00 H new ATOM 0 HA ALA A 33 2.446 10.517 -0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.103 12.056 -1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.631 10.364 -1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.992 11.234 -2.976 1.00 0.00 H new ATOM 546 N SER A 34 0.977 12.412 -0.974 1.00 0.00 N ATOM 547 CA SER A 34 -0.042 13.420 -1.216 1.00 0.00 C ATOM 548 C SER A 34 0.473 14.458 -2.214 1.00 0.00 C ATOM 549 O SER A 34 -0.246 14.855 -3.130 1.00 0.00 O ATOM 550 CB SER A 34 -0.463 14.101 0.088 1.00 0.00 C ATOM 551 OG SER A 34 -1.856 14.401 0.109 1.00 0.00 O ATOM 0 H SER A 34 1.303 12.358 -0.009 1.00 0.00 H new ATOM 0 HA SER A 34 -0.918 12.926 -1.636 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.219 13.453 0.930 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.108 15.021 0.217 1.00 0.00 H new ATOM 0 HG SER A 34 -1.990 15.349 -0.102 1.00 0.00 H new ATOM 557 N TRP A 35 1.716 14.868 -2.004 1.00 0.00 N ATOM 558 CA TRP A 35 2.337 15.852 -2.874 1.00 0.00 C ATOM 559 C TRP A 35 2.475 15.232 -4.265 1.00 0.00 C ATOM 560 O TRP A 35 2.634 15.947 -5.255 1.00 0.00 O ATOM 561 CB TRP A 35 3.671 16.329 -2.298 1.00 0.00 C ATOM 562 CG TRP A 35 4.724 15.228 -2.170 1.00 0.00 C ATOM 563 CD1 TRP A 35 5.146 14.614 -1.056 1.00 0.00 C ATOM 564 CD2 TRP A 35 5.476 14.628 -3.247 1.00 0.00 C ATOM 565 NE1 TRP A 35 6.111 13.668 -1.335 1.00 0.00 N ATOM 566 CE2 TRP A 35 6.318 13.676 -2.709 1.00 0.00 C ATOM 567 CE3 TRP A 35 5.445 14.881 -4.630 1.00 0.00 C ATOM 568 CZ2 TRP A 35 7.193 12.902 -3.481 1.00 0.00 C ATOM 569 CZ3 TRP A 35 6.325 14.099 -5.387 1.00 0.00 C ATOM 570 CH2 TRP A 35 7.179 13.137 -4.861 1.00 0.00 C ATOM 0 H TRP A 35 2.309 14.536 -1.244 1.00 0.00 H new ATOM 0 HA TRP A 35 1.717 16.745 -2.950 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.066 17.123 -2.932 1.00 0.00 H new ATOM 0 HB3 TRP A 35 3.495 16.765 -1.315 1.00 0.00 H new ATOM 0 HD1 TRP A 35 4.777 14.832 -0.065 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.586 13.072 -0.657 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.794 15.620 -5.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 7.843 12.164 -3.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 6.342 14.254 -6.456 1.00 0.00 H new ATOM 0 HH2 TRP A 35 7.829 12.573 -5.514 1.00 0.00 H new ATOM 581 N CYS A 36 2.409 13.909 -4.299 1.00 0.00 N ATOM 582 CA CYS A 36 2.525 13.185 -5.553 1.00 0.00 C ATOM 583 C CYS A 36 1.149 13.161 -6.223 1.00 0.00 C ATOM 584 O CYS A 36 0.204 12.580 -5.690 1.00 0.00 O ATOM 585 CB CYS A 36 3.081 11.775 -5.343 1.00 0.00 C ATOM 586 SG CYS A 36 3.407 10.984 -6.961 1.00 0.00 S ATOM 0 H CYS A 36 2.277 13.319 -3.477 1.00 0.00 H new ATOM 0 HA CYS A 36 3.237 13.693 -6.204 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.000 11.821 -4.759 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.371 11.176 -4.773 1.00 0.00 H new ATOM 0 HG CYS A 36 2.881 9.795 -6.977 1.00 0.00 H new ATOM 592 N PRO A 37 1.077 13.818 -7.413 1.00 0.00 N ATOM 593 CA PRO A 37 -0.166 13.877 -8.160 1.00 0.00 C ATOM 594 C PRO A 37 -0.461 12.539 -8.841 1.00 0.00 C ATOM 595 O PRO A 37 -1.536 11.969 -8.657 1.00 0.00 O ATOM 596 CB PRO A 37 0.023 15.017 -9.147 1.00 0.00 C ATOM 597 CG PRO A 37 1.522 15.249 -9.235 1.00 0.00 C ATOM 598 CD PRO A 37 2.175 14.517 -8.074 1.00 0.00 C ATOM 0 HA PRO A 37 -1.032 14.058 -7.523 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.390 14.761 -10.123 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.492 15.916 -8.808 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.910 14.882 -10.185 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.747 16.315 -9.190 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.936 13.819 -8.423 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.668 15.212 -7.395 1.00 0.00 H new ATOM 606 N LEU A 38 0.510 12.078 -9.614 1.00 0.00 N ATOM 607 CA LEU A 38 0.368 10.818 -10.323 1.00 0.00 C ATOM 608 C LEU A 38 -0.145 9.748 -9.356 1.00 0.00 C ATOM 609 O LEU A 38 -0.879 8.846 -9.754 1.00 0.00 O ATOM 610 CB LEU A 38 1.679 10.443 -11.018 1.00 0.00 C ATOM 611 CG LEU A 38 1.566 10.033 -12.487 1.00 0.00 C ATOM 612 CD1 LEU A 38 2.950 9.846 -13.113 1.00 0.00 C ATOM 613 CD2 LEU A 38 0.694 8.786 -12.643 1.00 0.00 C ATOM 0 H LEU A 38 1.399 12.555 -9.765 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.372 10.910 -11.118 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.359 11.292 -10.950 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.138 9.622 -10.467 1.00 0.00 H new ATOM 0 HG LEU A 38 1.074 10.840 -13.029 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.840 9.555 -14.158 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.506 10.782 -13.054 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.491 9.068 -12.574 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.630 8.516 -13.697 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.135 7.961 -12.083 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.306 8.991 -12.260 1.00 0.00 H new ATOM 625 N CYS A 39 0.265 9.884 -8.104 1.00 0.00 N ATOM 626 CA CYS A 39 -0.143 8.940 -7.076 1.00 0.00 C ATOM 627 C CYS A 39 -1.641 9.123 -6.825 1.00 0.00 C ATOM 628 O CYS A 39 -2.416 8.176 -6.957 1.00 0.00 O ATOM 629 CB CYS A 39 0.676 9.110 -5.796 1.00 0.00 C ATOM 630 SG CYS A 39 2.206 8.113 -5.894 1.00 0.00 S ATOM 0 H CYS A 39 0.875 10.633 -7.777 1.00 0.00 H new ATOM 0 HA CYS A 39 0.046 7.922 -7.416 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.926 10.161 -5.652 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.086 8.801 -4.933 1.00 0.00 H new ATOM 0 HG CYS A 39 3.076 8.568 -5.042 1.00 0.00 H new ATOM 636 N LEU A 40 -2.004 10.345 -6.466 1.00 0.00 N ATOM 637 CA LEU A 40 -3.396 10.664 -6.195 1.00 0.00 C ATOM 638 C LEU A 40 -4.260 10.185 -7.364 1.00 0.00 C ATOM 639 O LEU A 40 -5.242 9.472 -7.163 1.00 0.00 O ATOM 640 CB LEU A 40 -3.554 12.152 -5.882 1.00 0.00 C ATOM 641 CG LEU A 40 -3.315 12.561 -4.427 1.00 0.00 C ATOM 642 CD1 LEU A 40 -3.215 14.081 -4.294 1.00 0.00 C ATOM 643 CD2 LEU A 40 -4.390 11.974 -3.509 1.00 0.00 C ATOM 0 H LEU A 40 -1.358 11.127 -6.356 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.742 10.138 -5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.864 12.711 -6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.562 12.457 -6.163 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.358 12.147 -4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.045 14.344 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.385 14.445 -4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.143 14.538 -4.637 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.197 12.280 -2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.370 12.338 -3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.370 10.886 -3.574 1.00 0.00 H new ATOM 655 N SER A 41 -3.864 10.599 -8.558 1.00 0.00 N ATOM 656 CA SER A 41 -4.592 10.222 -9.759 1.00 0.00 C ATOM 657 C SER A 41 -4.770 8.703 -9.809 1.00 0.00 C ATOM 658 O SER A 41 -5.703 8.204 -10.434 1.00 0.00 O ATOM 659 CB SER A 41 -3.872 10.714 -11.017 1.00 0.00 C ATOM 660 OG SER A 41 -3.029 9.710 -11.575 1.00 0.00 O ATOM 0 H SER A 41 -3.050 11.191 -8.720 1.00 0.00 H new ATOM 0 HA SER A 41 -5.573 10.695 -9.726 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.608 11.023 -11.759 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.276 11.594 -10.773 1.00 0.00 H new ATOM 0 HG SER A 41 -2.336 9.467 -10.926 1.00 0.00 H new ATOM 666 N GLU A 42 -3.859 8.011 -9.141 1.00 0.00 N ATOM 667 CA GLU A 42 -3.903 6.559 -9.100 1.00 0.00 C ATOM 668 C GLU A 42 -4.667 6.085 -7.863 1.00 0.00 C ATOM 669 O GLU A 42 -5.324 5.045 -7.895 1.00 0.00 O ATOM 670 CB GLU A 42 -2.493 5.968 -9.134 1.00 0.00 C ATOM 671 CG GLU A 42 -2.395 4.841 -10.164 1.00 0.00 C ATOM 672 CD GLU A 42 -1.054 4.883 -10.900 1.00 0.00 C ATOM 673 OE1 GLU A 42 -0.086 5.465 -10.388 1.00 0.00 O ATOM 674 OE2 GLU A 42 -1.038 4.284 -12.041 1.00 0.00 O ATOM 0 H GLU A 42 -3.086 8.429 -8.624 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.431 6.206 -9.985 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.773 6.750 -9.376 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.231 5.587 -8.147 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.510 3.878 -9.666 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.210 4.928 -10.882 1.00 0.00 H new ATOM 682 N LEU A 43 -4.557 6.872 -6.802 1.00 0.00 N ATOM 683 CA LEU A 43 -5.231 6.546 -5.557 1.00 0.00 C ATOM 684 C LEU A 43 -6.662 6.095 -5.857 1.00 0.00 C ATOM 685 O LEU A 43 -7.075 5.013 -5.445 1.00 0.00 O ATOM 686 CB LEU A 43 -5.148 7.719 -4.579 1.00 0.00 C ATOM 687 CG LEU A 43 -4.021 7.658 -3.548 1.00 0.00 C ATOM 688 CD1 LEU A 43 -4.540 7.172 -2.195 1.00 0.00 C ATOM 689 CD2 LEU A 43 -2.859 6.801 -4.059 1.00 0.00 C ATOM 0 H LEU A 43 -4.012 7.734 -6.779 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.732 5.713 -5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.037 8.638 -5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.096 7.789 -4.046 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.638 8.668 -3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.717 7.138 -1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.307 7.856 -1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.966 6.175 -2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.070 6.773 -3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.212 5.788 -4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.467 7.231 -4.981 1.00 0.00 H new ATOM 701 N GLY A 44 -7.379 6.948 -6.574 1.00 0.00 N ATOM 702 CA GLY A 44 -8.754 6.651 -6.937 1.00 0.00 C ATOM 703 C GLY A 44 -8.861 5.281 -7.607 1.00 0.00 C ATOM 704 O GLY A 44 -9.658 4.441 -7.189 1.00 0.00 O ATOM 0 H GLY A 44 -7.033 7.845 -6.913 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.382 6.674 -6.046 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.130 7.420 -7.612 1.00 0.00 H new ATOM 708 N GLN A 45 -8.047 5.095 -8.636 1.00 0.00 N ATOM 709 CA GLN A 45 -8.040 3.841 -9.369 1.00 0.00 C ATOM 710 C GLN A 45 -7.630 2.689 -8.448 1.00 0.00 C ATOM 711 O GLN A 45 -8.058 1.553 -8.641 1.00 0.00 O ATOM 712 CB GLN A 45 -7.118 3.922 -10.588 1.00 0.00 C ATOM 713 CG GLN A 45 -7.307 2.709 -11.500 1.00 0.00 C ATOM 714 CD GLN A 45 -6.207 2.645 -12.563 1.00 0.00 C ATOM 715 OE1 GLN A 45 -5.026 2.734 -12.274 1.00 0.00 O ATOM 716 NE2 GLN A 45 -6.661 2.486 -13.801 1.00 0.00 N ATOM 0 H GLN A 45 -7.387 5.793 -8.979 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.050 3.650 -9.731 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.325 4.836 -11.145 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.080 3.977 -10.260 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.295 1.796 -10.904 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.282 2.762 -11.984 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.664 2.419 -13.972 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.006 2.431 -14.581 1.00 0.00 H new ATOM 725 N THR A 46 -6.806 3.025 -7.466 1.00 0.00 N ATOM 726 CA THR A 46 -6.334 2.034 -6.515 1.00 0.00 C ATOM 727 C THR A 46 -7.483 1.561 -5.622 1.00 0.00 C ATOM 728 O THR A 46 -7.576 0.378 -5.297 1.00 0.00 O ATOM 729 CB THR A 46 -5.171 2.647 -5.732 1.00 0.00 C ATOM 730 OG1 THR A 46 -4.194 2.933 -6.729 1.00 0.00 O ATOM 731 CG2 THR A 46 -4.482 1.633 -4.817 1.00 0.00 C ATOM 0 H THR A 46 -6.454 3.969 -7.309 1.00 0.00 H new ATOM 0 HA THR A 46 -5.970 1.141 -7.023 1.00 0.00 H new ATOM 0 HB THR A 46 -5.536 3.484 -5.137 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.473 3.718 -7.245 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.665 2.120 -4.285 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.202 1.244 -4.098 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.087 0.812 -5.416 1.00 0.00 H new ATOM 739 N GLU A 47 -8.332 2.510 -5.252 1.00 0.00 N ATOM 740 CA GLU A 47 -9.471 2.204 -4.403 1.00 0.00 C ATOM 741 C GLU A 47 -10.392 1.196 -5.094 1.00 0.00 C ATOM 742 O GLU A 47 -10.951 0.313 -4.444 1.00 0.00 O ATOM 743 CB GLU A 47 -10.233 3.477 -4.031 1.00 0.00 C ATOM 744 CG GLU A 47 -11.359 3.173 -3.042 1.00 0.00 C ATOM 745 CD GLU A 47 -11.607 4.360 -2.109 1.00 0.00 C ATOM 746 OE1 GLU A 47 -11.287 5.504 -2.464 1.00 0.00 O ATOM 747 OE2 GLU A 47 -12.152 4.061 -0.979 1.00 0.00 O ATOM 0 H GLU A 47 -8.254 3.490 -5.525 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.103 1.757 -3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.546 4.202 -3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.647 3.933 -4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.273 2.938 -3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.103 2.292 -2.454 1.00 0.00 H new ATOM 755 N LYS A 48 -10.522 1.361 -6.402 1.00 0.00 N ATOM 756 CA LYS A 48 -11.365 0.476 -7.189 1.00 0.00 C ATOM 757 C LYS A 48 -10.622 -0.836 -7.443 1.00 0.00 C ATOM 758 O LYS A 48 -11.226 -1.906 -7.438 1.00 0.00 O ATOM 759 CB LYS A 48 -11.833 1.177 -8.466 1.00 0.00 C ATOM 760 CG LYS A 48 -12.634 0.221 -9.353 1.00 0.00 C ATOM 761 CD LYS A 48 -13.622 0.989 -10.232 1.00 0.00 C ATOM 762 CE LYS A 48 -13.317 0.775 -11.716 1.00 0.00 C ATOM 763 NZ LYS A 48 -13.544 2.024 -12.478 1.00 0.00 N ATOM 0 H LYS A 48 -10.058 2.095 -6.937 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.273 0.226 -6.640 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.447 2.040 -8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.970 1.553 -9.016 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.954 -0.354 -9.981 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.174 -0.493 -8.730 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.639 0.661 -10.015 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.573 2.052 -9.997 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.284 0.451 -11.838 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.949 -0.020 -12.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.332 1.861 -13.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.537 2.317 -12.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.923 2.773 -12.110 1.00 0.00 H new ATOM 776 N TRP A 49 -9.321 -0.711 -7.660 1.00 0.00 N ATOM 777 CA TRP A 49 -8.488 -1.874 -7.917 1.00 0.00 C ATOM 778 C TRP A 49 -8.566 -2.790 -6.693 1.00 0.00 C ATOM 779 O TRP A 49 -8.471 -4.009 -6.820 1.00 0.00 O ATOM 780 CB TRP A 49 -7.057 -1.458 -8.264 1.00 0.00 C ATOM 781 CG TRP A 49 -6.883 -0.967 -9.702 1.00 0.00 C ATOM 782 CD1 TRP A 49 -7.833 -0.756 -10.622 1.00 0.00 C ATOM 783 CD2 TRP A 49 -5.638 -0.631 -10.350 1.00 0.00 C ATOM 784 NE1 TRP A 49 -7.294 -0.311 -11.812 1.00 0.00 N ATOM 785 CE2 TRP A 49 -5.918 -0.232 -11.642 1.00 0.00 C ATOM 786 CE3 TRP A 49 -4.320 -0.663 -9.863 1.00 0.00 C ATOM 787 CZ2 TRP A 49 -4.930 0.164 -12.553 1.00 0.00 C ATOM 788 CZ3 TRP A 49 -3.346 -0.264 -10.785 1.00 0.00 C ATOM 789 CH2 TRP A 49 -3.610 0.141 -12.088 1.00 0.00 C ATOM 0 H TRP A 49 -8.823 0.179 -7.663 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.849 -2.423 -8.786 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -6.743 -0.669 -7.581 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -6.393 -2.306 -8.098 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.888 -0.914 -10.454 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.811 -0.082 -12.661 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.078 -0.971 -8.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.174 0.470 -13.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -2.316 -0.271 -10.461 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.800 0.437 -12.739 1.00 0.00 H new ATOM 800 N ALA A 50 -8.737 -2.165 -5.538 1.00 0.00 N ATOM 801 CA ALA A 50 -8.828 -2.910 -4.292 1.00 0.00 C ATOM 802 C ALA A 50 -10.193 -3.595 -4.211 1.00 0.00 C ATOM 803 O ALA A 50 -10.431 -4.411 -3.321 1.00 0.00 O ATOM 804 CB ALA A 50 -8.578 -1.966 -3.115 1.00 0.00 C ATOM 0 H ALA A 50 -8.815 -1.153 -5.437 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.066 -3.689 -4.253 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.646 -2.523 -2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.584 -1.528 -3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.326 -1.173 -3.120 1.00 0.00 H new ATOM 810 N GLN A 51 -11.056 -3.238 -5.153 1.00 0.00 N ATOM 811 CA GLN A 51 -12.391 -3.809 -5.198 1.00 0.00 C ATOM 812 C GLN A 51 -12.465 -4.903 -6.264 1.00 0.00 C ATOM 813 O GLN A 51 -13.443 -5.644 -6.333 1.00 0.00 O ATOM 814 CB GLN A 51 -13.441 -2.725 -5.451 1.00 0.00 C ATOM 815 CG GLN A 51 -13.803 -1.998 -4.154 1.00 0.00 C ATOM 816 CD GLN A 51 -15.312 -1.765 -4.059 1.00 0.00 C ATOM 817 OE1 GLN A 51 -16.075 -2.098 -4.950 1.00 0.00 O ATOM 818 NE2 GLN A 51 -15.697 -1.175 -2.931 1.00 0.00 N ATOM 0 H GLN A 51 -10.856 -2.561 -5.890 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.606 -4.259 -4.229 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -13.061 -2.009 -6.180 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -14.336 -3.174 -5.882 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.467 -2.584 -3.299 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -13.280 -1.042 -4.110 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -15.005 -0.922 -2.226 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -16.684 -0.975 -2.771 1.00 0.00 H new ATOM 827 N ASP A 52 -11.415 -4.970 -7.070 1.00 0.00 N ATOM 828 CA ASP A 52 -11.348 -5.962 -8.131 1.00 0.00 C ATOM 829 C ASP A 52 -11.230 -7.355 -7.513 1.00 0.00 C ATOM 830 O ASP A 52 -10.325 -7.612 -6.721 1.00 0.00 O ATOM 831 CB ASP A 52 -10.125 -5.734 -9.022 1.00 0.00 C ATOM 832 CG ASP A 52 -9.740 -6.920 -9.908 1.00 0.00 C ATOM 833 OD1 ASP A 52 -8.562 -7.297 -9.994 1.00 0.00 O ATOM 834 OD2 ASP A 52 -10.722 -7.474 -10.534 1.00 0.00 O ATOM 0 H ASP A 52 -10.604 -4.354 -7.010 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.253 -5.875 -8.732 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.315 -4.870 -9.659 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.275 -5.482 -8.388 1.00 0.00 H new ATOM 840 N ALA A 53 -12.157 -8.221 -7.899 1.00 0.00 N ATOM 841 CA ALA A 53 -12.168 -9.582 -7.392 1.00 0.00 C ATOM 842 C ALA A 53 -10.787 -10.208 -7.595 1.00 0.00 C ATOM 843 O ALA A 53 -10.249 -10.843 -6.688 1.00 0.00 O ATOM 844 CB ALA A 53 -13.276 -10.377 -8.085 1.00 0.00 C ATOM 0 H ALA A 53 -12.906 -8.005 -8.557 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.381 -9.591 -6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.284 -11.398 -7.704 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.240 -9.908 -7.886 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.095 -10.392 -9.160 1.00 0.00 H new ATOM 850 N LYS A 54 -10.251 -10.008 -8.790 1.00 0.00 N ATOM 851 CA LYS A 54 -8.943 -10.546 -9.122 1.00 0.00 C ATOM 852 C LYS A 54 -7.948 -10.172 -8.024 1.00 0.00 C ATOM 853 O LYS A 54 -7.192 -11.018 -7.550 1.00 0.00 O ATOM 854 CB LYS A 54 -8.517 -10.088 -10.520 1.00 0.00 C ATOM 855 CG LYS A 54 -8.529 -11.259 -11.507 1.00 0.00 C ATOM 856 CD LYS A 54 -7.414 -12.256 -11.188 1.00 0.00 C ATOM 857 CE LYS A 54 -7.943 -13.692 -11.200 1.00 0.00 C ATOM 858 NZ LYS A 54 -7.427 -14.425 -12.378 1.00 0.00 N ATOM 0 H LYS A 54 -10.699 -9.481 -9.540 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.977 -11.635 -9.163 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.189 -9.305 -10.871 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.518 -9.655 -10.476 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.495 -11.763 -11.467 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.407 -10.884 -12.523 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.611 -12.154 -11.918 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.988 -12.030 -10.211 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.643 -14.204 -10.286 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.033 -13.684 -11.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.796 -15.397 -12.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.734 -13.945 -13.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.388 -14.448 -12.344 1.00 0.00 H new ATOM 871 N PHE A 55 -7.979 -8.901 -7.648 1.00 0.00 N ATOM 872 CA PHE A 55 -7.089 -8.405 -6.613 1.00 0.00 C ATOM 873 C PHE A 55 -7.444 -9.002 -5.250 1.00 0.00 C ATOM 874 O PHE A 55 -6.582 -9.145 -4.386 1.00 0.00 O ATOM 875 CB PHE A 55 -7.273 -6.887 -6.555 1.00 0.00 C ATOM 876 CG PHE A 55 -6.110 -6.096 -7.156 1.00 0.00 C ATOM 877 CD1 PHE A 55 -4.865 -6.200 -6.617 1.00 0.00 C ATOM 878 CD2 PHE A 55 -6.321 -5.287 -8.228 1.00 0.00 C ATOM 879 CE1 PHE A 55 -3.787 -5.464 -7.176 1.00 0.00 C ATOM 880 CE2 PHE A 55 -5.241 -4.552 -8.788 1.00 0.00 C ATOM 881 CZ PHE A 55 -3.997 -4.656 -8.248 1.00 0.00 C ATOM 0 H PHE A 55 -8.607 -8.200 -8.042 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.060 -8.682 -6.843 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.190 -6.622 -7.082 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.404 -6.587 -5.515 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.697 -6.842 -5.765 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.310 -5.203 -8.654 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.799 -5.547 -6.748 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.408 -3.912 -9.641 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.176 -4.096 -8.671 1.00 0.00 H new ATOM 891 N SER A 56 -8.718 -9.336 -5.101 1.00 0.00 N ATOM 892 CA SER A 56 -9.200 -9.915 -3.858 1.00 0.00 C ATOM 893 C SER A 56 -8.252 -11.025 -3.397 1.00 0.00 C ATOM 894 O SER A 56 -7.970 -11.150 -2.207 1.00 0.00 O ATOM 895 CB SER A 56 -10.620 -10.461 -4.018 1.00 0.00 C ATOM 896 OG SER A 56 -11.361 -10.385 -2.804 1.00 0.00 O ATOM 0 H SER A 56 -9.431 -9.217 -5.821 1.00 0.00 H new ATOM 0 HA SER A 56 -9.226 -9.130 -3.102 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.139 -9.900 -4.795 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.574 -11.498 -4.351 1.00 0.00 H new ATOM 0 HG SER A 56 -12.262 -10.742 -2.948 1.00 0.00 H new ATOM 902 N SER A 57 -7.789 -11.803 -4.364 1.00 0.00 N ATOM 903 CA SER A 57 -6.881 -12.899 -4.072 1.00 0.00 C ATOM 904 C SER A 57 -5.878 -12.475 -2.997 1.00 0.00 C ATOM 905 O SER A 57 -5.851 -13.046 -1.908 1.00 0.00 O ATOM 906 CB SER A 57 -6.145 -13.356 -5.335 1.00 0.00 C ATOM 907 OG SER A 57 -7.028 -13.951 -6.280 1.00 0.00 O ATOM 0 H SER A 57 -8.026 -11.696 -5.350 1.00 0.00 H new ATOM 0 HA SER A 57 -7.467 -13.740 -3.701 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.646 -12.502 -5.793 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.369 -14.071 -5.064 1.00 0.00 H new ATOM 0 HG SER A 57 -7.343 -13.268 -6.909 1.00 0.00 H new ATOM 913 N ALA A 58 -5.077 -11.476 -3.342 1.00 0.00 N ATOM 914 CA ALA A 58 -4.074 -10.970 -2.420 1.00 0.00 C ATOM 915 C ALA A 58 -4.591 -9.683 -1.770 1.00 0.00 C ATOM 916 O ALA A 58 -5.568 -9.098 -2.233 1.00 0.00 O ATOM 917 CB ALA A 58 -2.756 -10.758 -3.165 1.00 0.00 C ATOM 0 H ALA A 58 -5.103 -11.004 -4.246 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.885 -11.690 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.004 -10.378 -2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.418 -11.706 -3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.905 -10.038 -3.970 1.00 0.00 H new ATOM 923 N ASN A 59 -3.909 -9.281 -0.707 1.00 0.00 N ATOM 924 CA ASN A 59 -4.286 -8.076 0.012 1.00 0.00 C ATOM 925 C ASN A 59 -3.567 -6.874 -0.606 1.00 0.00 C ATOM 926 O ASN A 59 -2.358 -6.917 -0.830 1.00 0.00 O ATOM 927 CB ASN A 59 -3.881 -8.163 1.484 1.00 0.00 C ATOM 928 CG ASN A 59 -4.511 -9.386 2.154 1.00 0.00 C ATOM 929 OD1 ASN A 59 -5.716 -9.483 2.318 1.00 0.00 O ATOM 930 ND2 ASN A 59 -3.631 -10.309 2.531 1.00 0.00 N ATOM 0 H ASN A 59 -3.098 -9.769 -0.327 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.368 -7.966 -0.058 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.795 -8.219 1.564 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.192 -7.258 2.005 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.951 -11.163 2.988 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.636 -10.163 2.363 1.00 0.00 H new ATOM 937 N LEU A 60 -4.341 -5.830 -0.864 1.00 0.00 N ATOM 938 CA LEU A 60 -3.793 -4.619 -1.451 1.00 0.00 C ATOM 939 C LEU A 60 -3.995 -3.452 -0.482 1.00 0.00 C ATOM 940 O LEU A 60 -5.111 -3.203 -0.029 1.00 0.00 O ATOM 941 CB LEU A 60 -4.393 -4.378 -2.837 1.00 0.00 C ATOM 942 CG LEU A 60 -3.870 -3.152 -3.590 1.00 0.00 C ATOM 943 CD1 LEU A 60 -4.470 -3.074 -4.994 1.00 0.00 C ATOM 944 CD2 LEU A 60 -4.118 -1.871 -2.789 1.00 0.00 C ATOM 0 H LEU A 60 -5.343 -5.798 -0.677 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.719 -4.722 -1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.210 -5.261 -3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.474 -4.282 -2.732 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.791 -3.257 -3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.082 -2.194 -5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.201 -3.969 -5.555 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.555 -3.003 -4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.737 -1.015 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.188 -1.748 -2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.605 -1.937 -1.829 1.00 0.00 H new ATOM 956 N ILE A 61 -2.896 -2.768 -0.194 1.00 0.00 N ATOM 957 CA ILE A 61 -2.939 -1.633 0.713 1.00 0.00 C ATOM 958 C ILE A 61 -1.824 -0.652 0.346 1.00 0.00 C ATOM 959 O ILE A 61 -0.868 -1.019 -0.333 1.00 0.00 O ATOM 960 CB ILE A 61 -2.887 -2.107 2.167 1.00 0.00 C ATOM 961 CG1 ILE A 61 -1.470 -2.530 2.555 1.00 0.00 C ATOM 962 CG2 ILE A 61 -3.907 -3.219 2.418 1.00 0.00 C ATOM 963 CD1 ILE A 61 -1.000 -1.788 3.810 1.00 0.00 C ATOM 0 H ILE A 61 -1.972 -2.978 -0.572 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.883 -1.098 0.610 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.160 -1.270 2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.443 -3.605 2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.787 -2.326 1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.849 -3.538 3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.910 -2.847 2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.690 -4.066 1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.011 -2.107 4.064 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.005 -0.714 3.621 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.671 -2.014 4.639 1.00 0.00 H new ATOM 975 N THR A 62 -1.984 0.577 0.812 1.00 0.00 N ATOM 976 CA THR A 62 -1.003 1.615 0.542 1.00 0.00 C ATOM 977 C THR A 62 -0.345 2.078 1.843 1.00 0.00 C ATOM 978 O THR A 62 -0.965 2.041 2.904 1.00 0.00 O ATOM 979 CB THR A 62 -1.705 2.741 -0.219 1.00 0.00 C ATOM 980 OG1 THR A 62 -2.609 3.294 0.735 1.00 0.00 O ATOM 981 CG2 THR A 62 -2.612 2.219 -1.334 1.00 0.00 C ATOM 0 H THR A 62 -2.779 0.878 1.376 1.00 0.00 H new ATOM 0 HA THR A 62 -0.190 1.240 -0.080 1.00 0.00 H new ATOM 0 HB THR A 62 -0.958 3.411 -0.644 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.515 2.968 0.554 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.085 3.060 -1.842 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.018 1.650 -2.050 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.380 1.574 -0.906 1.00 0.00 H new ATOM 989 N VAL A 63 0.903 2.505 1.719 1.00 0.00 N ATOM 990 CA VAL A 63 1.653 2.974 2.870 1.00 0.00 C ATOM 991 C VAL A 63 2.147 4.398 2.606 1.00 0.00 C ATOM 992 O VAL A 63 2.479 4.744 1.472 1.00 0.00 O ATOM 993 CB VAL A 63 2.785 1.997 3.191 1.00 0.00 C ATOM 994 CG1 VAL A 63 3.907 2.695 3.966 1.00 0.00 C ATOM 995 CG2 VAL A 63 2.262 0.783 3.961 1.00 0.00 C ATOM 0 H VAL A 63 1.414 2.536 0.837 1.00 0.00 H new ATOM 0 HA VAL A 63 1.015 3.011 3.753 1.00 0.00 H new ATOM 0 HB VAL A 63 3.198 1.642 2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.700 1.979 4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.309 3.512 3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.511 3.091 4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.088 0.105 4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.810 1.113 4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.515 0.265 3.360 1.00 0.00 H new ATOM 1005 N ALA A 64 2.181 5.186 3.670 1.00 0.00 N ATOM 1006 CA ALA A 64 2.631 6.564 3.567 1.00 0.00 C ATOM 1007 C ALA A 64 3.626 6.857 4.691 1.00 0.00 C ATOM 1008 O ALA A 64 3.539 6.273 5.771 1.00 0.00 O ATOM 1009 CB ALA A 64 1.420 7.500 3.603 1.00 0.00 C ATOM 0 H ALA A 64 1.904 4.897 4.608 1.00 0.00 H new ATOM 0 HA ALA A 64 3.145 6.730 2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.757 8.534 3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.758 7.271 2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.882 7.363 4.541 1.00 0.00 H new ATOM 1015 N SER A 65 4.550 7.761 4.399 1.00 0.00 N ATOM 1016 CA SER A 65 5.562 8.138 5.371 1.00 0.00 C ATOM 1017 C SER A 65 5.573 9.657 5.551 1.00 0.00 C ATOM 1018 O SER A 65 5.999 10.388 4.660 1.00 0.00 O ATOM 1019 CB SER A 65 6.945 7.643 4.946 1.00 0.00 C ATOM 1020 OG SER A 65 7.141 7.748 3.539 1.00 0.00 O ATOM 0 H SER A 65 4.619 8.243 3.503 1.00 0.00 H new ATOM 0 HA SER A 65 5.315 7.668 6.323 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.711 8.221 5.463 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.068 6.604 5.253 1.00 0.00 H new ATOM 0 HG SER A 65 7.332 6.861 3.168 1.00 0.00 H new ATOM 1026 N PRO A 66 5.086 10.098 6.742 1.00 0.00 N ATOM 1027 CA PRO A 66 5.038 11.518 7.051 1.00 0.00 C ATOM 1028 C PRO A 66 6.431 12.057 7.381 1.00 0.00 C ATOM 1029 O PRO A 66 7.155 11.466 8.181 1.00 0.00 O ATOM 1030 CB PRO A 66 4.066 11.634 8.214 1.00 0.00 C ATOM 1031 CG PRO A 66 3.965 10.241 8.814 1.00 0.00 C ATOM 1032 CD PRO A 66 4.574 9.262 7.823 1.00 0.00 C ATOM 0 HA PRO A 66 4.704 12.120 6.206 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.424 12.352 8.952 1.00 0.00 H new ATOM 0 HB3 PRO A 66 3.091 11.985 7.875 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.492 10.197 9.767 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.924 9.985 9.013 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.371 8.678 8.283 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.830 8.554 7.458 1.00 0.00 H new ATOM 1040 N GLY A 67 6.766 13.171 6.747 1.00 0.00 N ATOM 1041 CA GLY A 67 8.060 13.795 6.963 1.00 0.00 C ATOM 1042 C GLY A 67 9.118 13.198 6.034 1.00 0.00 C ATOM 1043 O GLY A 67 10.201 13.762 5.876 1.00 0.00 O ATOM 0 H GLY A 67 6.163 13.658 6.083 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.983 14.869 6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.364 13.660 8.001 1.00 0.00 H new ATOM 1047 N PHE A 68 8.771 12.063 5.445 1.00 0.00 N ATOM 1048 CA PHE A 68 9.678 11.383 4.536 1.00 0.00 C ATOM 1049 C PHE A 68 9.331 11.695 3.078 1.00 0.00 C ATOM 1050 O PHE A 68 8.171 11.604 2.680 1.00 0.00 O ATOM 1051 CB PHE A 68 9.510 9.882 4.777 1.00 0.00 C ATOM 1052 CG PHE A 68 10.815 9.089 4.696 1.00 0.00 C ATOM 1053 CD1 PHE A 68 11.925 9.537 5.341 1.00 0.00 C ATOM 1054 CD2 PHE A 68 10.867 7.934 3.979 1.00 0.00 C ATOM 1055 CE1 PHE A 68 13.137 8.802 5.265 1.00 0.00 C ATOM 1056 CE2 PHE A 68 12.079 7.198 3.903 1.00 0.00 C ATOM 1057 CZ PHE A 68 13.189 7.647 4.549 1.00 0.00 C ATOM 0 H PHE A 68 7.874 11.597 5.580 1.00 0.00 H new ATOM 0 HA PHE A 68 10.701 11.713 4.716 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.065 9.730 5.760 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.808 9.483 4.044 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.884 10.453 5.912 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.986 7.577 3.467 1.00 0.00 H new ATOM 0 HE1 PHE A 68 14.018 9.160 5.776 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.120 6.282 3.332 1.00 0.00 H new ATOM 0 HZ PHE A 68 14.111 7.087 4.493 1.00 0.00 H new ATOM 1067 N LEU A 69 10.358 12.058 2.324 1.00 0.00 N ATOM 1068 CA LEU A 69 10.176 12.385 0.920 1.00 0.00 C ATOM 1069 C LEU A 69 9.345 13.664 0.803 1.00 0.00 C ATOM 1070 O LEU A 69 8.843 13.985 -0.275 1.00 0.00 O ATOM 1071 CB LEU A 69 9.582 11.194 0.166 1.00 0.00 C ATOM 1072 CG LEU A 69 10.582 10.147 -0.329 1.00 0.00 C ATOM 1073 CD1 LEU A 69 11.268 9.446 0.844 1.00 0.00 C ATOM 1074 CD2 LEU A 69 9.910 9.151 -1.277 1.00 0.00 C ATOM 0 H LEU A 69 11.319 12.133 2.659 1.00 0.00 H new ATOM 0 HA LEU A 69 11.137 12.585 0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.861 10.700 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.028 11.573 -0.693 1.00 0.00 H new ATOM 0 HG LEU A 69 11.358 10.659 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.973 8.707 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.802 10.182 1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.518 8.949 1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.643 8.418 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.100 8.641 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.507 9.684 -2.138 1.00 0.00 H new ATOM 1086 N HIS A 70 9.226 14.360 1.923 1.00 0.00 N ATOM 1087 CA HIS A 70 8.465 15.597 1.959 1.00 0.00 C ATOM 1088 C HIS A 70 6.969 15.280 1.928 1.00 0.00 C ATOM 1089 O HIS A 70 6.207 15.934 1.215 1.00 0.00 O ATOM 1090 CB HIS A 70 8.897 16.533 0.828 1.00 0.00 C ATOM 1091 CG HIS A 70 9.542 17.814 1.303 1.00 0.00 C ATOM 1092 ND1 HIS A 70 9.090 19.065 0.925 1.00 0.00 N ATOM 1093 CD2 HIS A 70 10.608 18.022 2.128 1.00 0.00 C ATOM 1094 CE1 HIS A 70 9.857 19.978 1.502 1.00 0.00 C ATOM 1095 NE2 HIS A 70 10.797 19.329 2.247 1.00 0.00 N ATOM 0 H HIS A 70 9.644 14.091 2.814 1.00 0.00 H new ATOM 0 HA HIS A 70 8.669 16.127 2.889 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.596 16.005 0.180 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.025 16.780 0.222 1.00 0.00 H new ATOM 0 HD2 HIS A 70 11.198 17.253 2.604 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.756 21.048 1.400 1.00 0.00 H new ATOM 0 HE2 HIS A 70 11.526 19.776 2.804 1.00 0.00 H new ATOM 1104 N GLU A 71 6.592 14.277 2.706 1.00 0.00 N ATOM 1105 CA GLU A 71 5.201 13.865 2.777 1.00 0.00 C ATOM 1106 C GLU A 71 4.504 14.549 3.954 1.00 0.00 C ATOM 1107 O GLU A 71 5.101 14.727 5.015 1.00 0.00 O ATOM 1108 CB GLU A 71 5.084 12.344 2.879 1.00 0.00 C ATOM 1109 CG GLU A 71 4.154 11.790 1.796 1.00 0.00 C ATOM 1110 CD GLU A 71 2.891 12.646 1.670 1.00 0.00 C ATOM 1111 OE1 GLU A 71 2.870 13.608 0.887 1.00 0.00 O ATOM 1112 OE2 GLU A 71 1.908 12.281 2.420 1.00 0.00 O ATOM 0 H GLU A 71 7.227 13.737 3.294 1.00 0.00 H new ATOM 0 HA GLU A 71 4.704 14.173 1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.071 11.893 2.781 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.705 12.070 3.864 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.677 11.764 0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.880 10.763 2.037 1.00 0.00 H new ATOM 1120 N LYS A 72 3.250 14.914 3.729 1.00 0.00 N ATOM 1121 CA LYS A 72 2.467 15.575 4.759 1.00 0.00 C ATOM 1122 C LYS A 72 2.719 14.890 6.104 1.00 0.00 C ATOM 1123 O LYS A 72 2.457 13.697 6.255 1.00 0.00 O ATOM 1124 CB LYS A 72 0.990 15.622 4.360 1.00 0.00 C ATOM 1125 CG LYS A 72 0.706 16.818 3.449 1.00 0.00 C ATOM 1126 CD LYS A 72 -0.258 17.799 4.118 1.00 0.00 C ATOM 1127 CE LYS A 72 0.469 19.071 4.557 1.00 0.00 C ATOM 1128 NZ LYS A 72 1.107 19.729 3.397 1.00 0.00 N ATOM 0 H LYS A 72 2.757 14.764 2.849 1.00 0.00 H new ATOM 0 HA LYS A 72 2.778 16.614 4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.718 14.698 3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.370 15.686 5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.640 17.327 3.209 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.281 16.470 2.507 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.060 18.055 3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.723 17.325 4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.236 19.756 5.029 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.224 18.826 5.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.097 20.760 3.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.090 19.401 3.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.584 19.489 2.531 1.00 0.00 H new ATOM 1141 N LYS A 73 3.224 15.674 7.044 1.00 0.00 N ATOM 1142 CA LYS A 73 3.513 15.159 8.371 1.00 0.00 C ATOM 1143 C LYS A 73 2.214 14.684 9.026 1.00 0.00 C ATOM 1144 O LYS A 73 1.138 15.198 8.721 1.00 0.00 O ATOM 1145 CB LYS A 73 4.272 16.200 9.197 1.00 0.00 C ATOM 1146 CG LYS A 73 4.913 15.560 10.430 1.00 0.00 C ATOM 1147 CD LYS A 73 6.253 14.911 10.080 1.00 0.00 C ATOM 1148 CE LYS A 73 6.685 13.921 11.162 1.00 0.00 C ATOM 1149 NZ LYS A 73 7.710 14.526 12.039 1.00 0.00 N ATOM 0 H LYS A 73 3.441 16.662 6.913 1.00 0.00 H new ATOM 0 HA LYS A 73 4.172 14.293 8.306 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.042 16.666 8.583 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.590 16.992 9.507 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.062 16.317 11.200 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.240 14.810 10.846 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.172 14.396 9.123 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.015 15.682 9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.821 13.622 11.755 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.082 13.018 10.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.992 13.840 12.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.541 14.789 11.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.319 15.375 12.495 1.00 0.00 H new ATOM 1162 N ASP A 74 2.355 13.709 9.911 1.00 0.00 N ATOM 1163 CA ASP A 74 1.207 13.159 10.610 1.00 0.00 C ATOM 1164 C ASP A 74 0.312 14.304 11.091 1.00 0.00 C ATOM 1165 O ASP A 74 0.808 15.344 11.522 1.00 0.00 O ATOM 1166 CB ASP A 74 1.641 12.353 11.835 1.00 0.00 C ATOM 1167 CG ASP A 74 0.566 12.179 12.910 1.00 0.00 C ATOM 1168 OD1 ASP A 74 0.610 12.828 13.966 1.00 0.00 O ATOM 1169 OD2 ASP A 74 -0.357 11.326 12.626 1.00 0.00 O ATOM 0 H ASP A 74 3.249 13.285 10.160 1.00 0.00 H new ATOM 0 HA ASP A 74 0.674 12.506 9.919 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.966 11.366 11.505 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.506 12.841 12.284 1.00 0.00 H new ATOM 1175 N GLY A 75 -0.990 14.073 11.001 1.00 0.00 N ATOM 1176 CA GLY A 75 -1.957 15.072 11.422 1.00 0.00 C ATOM 1177 C GLY A 75 -2.360 15.972 10.252 1.00 0.00 C ATOM 1178 O GLY A 75 -3.547 16.171 9.999 1.00 0.00 O ATOM 0 H GLY A 75 -1.397 13.209 10.643 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.841 14.580 11.828 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.534 15.678 12.223 1.00 0.00 H new ATOM 1182 N ASP A 76 -1.349 16.490 9.569 1.00 0.00 N ATOM 1183 CA ASP A 76 -1.585 17.363 8.432 1.00 0.00 C ATOM 1184 C ASP A 76 -2.122 16.537 7.262 1.00 0.00 C ATOM 1185 O ASP A 76 -2.952 17.014 6.490 1.00 0.00 O ATOM 1186 CB ASP A 76 -0.288 18.037 7.978 1.00 0.00 C ATOM 1187 CG ASP A 76 -0.135 19.498 8.403 1.00 0.00 C ATOM 1188 OD1 ASP A 76 -1.127 20.191 8.676 1.00 0.00 O ATOM 1189 OD2 ASP A 76 1.079 19.929 8.450 1.00 0.00 O ATOM 0 H ASP A 76 -0.366 16.322 9.781 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.302 18.126 8.736 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.555 17.470 8.372 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.229 17.983 6.891 1.00 0.00 H new ATOM 1195 N PHE A 77 -1.626 15.312 7.168 1.00 0.00 N ATOM 1196 CA PHE A 77 -2.047 14.414 6.106 1.00 0.00 C ATOM 1197 C PHE A 77 -3.478 13.923 6.336 1.00 0.00 C ATOM 1198 O PHE A 77 -4.201 13.637 5.384 1.00 0.00 O ATOM 1199 CB PHE A 77 -1.099 13.214 6.132 1.00 0.00 C ATOM 1200 CG PHE A 77 -1.426 12.139 5.095 1.00 0.00 C ATOM 1201 CD1 PHE A 77 -2.399 11.222 5.351 1.00 0.00 C ATOM 1202 CD2 PHE A 77 -0.747 12.098 3.918 1.00 0.00 C ATOM 1203 CE1 PHE A 77 -2.704 10.223 4.389 1.00 0.00 C ATOM 1204 CE2 PHE A 77 -1.053 11.099 2.956 1.00 0.00 C ATOM 1205 CZ PHE A 77 -2.024 10.183 3.211 1.00 0.00 C ATOM 0 H PHE A 77 -0.937 14.920 7.810 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.020 14.934 5.148 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.080 13.565 5.967 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.124 12.766 7.125 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.939 11.254 6.286 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.025 12.825 3.714 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.476 9.495 4.592 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.514 11.067 2.021 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.256 9.424 2.479 1.00 0.00 H new ATOM 1215 N GLN A 78 -3.844 13.841 7.608 1.00 0.00 N ATOM 1216 CA GLN A 78 -5.175 13.390 7.975 1.00 0.00 C ATOM 1217 C GLN A 78 -6.221 14.424 7.554 1.00 0.00 C ATOM 1218 O GLN A 78 -7.319 14.065 7.133 1.00 0.00 O ATOM 1219 CB GLN A 78 -5.261 13.102 9.475 1.00 0.00 C ATOM 1220 CG GLN A 78 -3.909 12.643 10.025 1.00 0.00 C ATOM 1221 CD GLN A 78 -3.216 11.690 9.048 1.00 0.00 C ATOM 1222 OE1 GLN A 78 -2.010 11.720 8.861 1.00 0.00 O ATOM 1223 NE2 GLN A 78 -4.042 10.847 8.437 1.00 0.00 N ATOM 0 H GLN A 78 -3.242 14.079 8.396 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.381 12.459 7.447 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.587 13.998 10.003 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.012 12.334 9.659 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.273 13.509 10.207 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.052 12.146 10.984 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.041 10.875 8.640 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.677 10.172 7.765 1.00 0.00 H new ATOM 1232 N LYS A 79 -5.842 15.687 7.682 1.00 0.00 N ATOM 1233 CA LYS A 79 -6.735 16.777 7.319 1.00 0.00 C ATOM 1234 C LYS A 79 -7.079 16.674 5.833 1.00 0.00 C ATOM 1235 O LYS A 79 -8.217 16.920 5.437 1.00 0.00 O ATOM 1236 CB LYS A 79 -6.127 18.122 7.720 1.00 0.00 C ATOM 1237 CG LYS A 79 -6.958 18.794 8.814 1.00 0.00 C ATOM 1238 CD LYS A 79 -6.169 19.917 9.491 1.00 0.00 C ATOM 1239 CE LYS A 79 -7.103 20.881 10.223 1.00 0.00 C ATOM 1240 NZ LYS A 79 -6.328 21.796 11.091 1.00 0.00 N ATOM 0 H LYS A 79 -4.930 15.981 8.032 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.673 16.702 7.868 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.107 17.973 8.073 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.071 18.774 6.848 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.874 19.197 8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.254 18.054 9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.456 19.491 10.196 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.592 20.462 8.744 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.679 21.458 9.500 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.817 20.318 10.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.978 22.444 11.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.797 21.242 11.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.664 22.346 10.510 1.00 0.00 H new ATOM 1253 N TRP A 80 -6.075 16.311 5.049 1.00 0.00 N ATOM 1254 CA TRP A 80 -6.256 16.173 3.615 1.00 0.00 C ATOM 1255 C TRP A 80 -7.317 15.096 3.373 1.00 0.00 C ATOM 1256 O TRP A 80 -8.288 15.327 2.654 1.00 0.00 O ATOM 1257 CB TRP A 80 -4.926 15.869 2.919 1.00 0.00 C ATOM 1258 CG TRP A 80 -5.007 15.878 1.391 1.00 0.00 C ATOM 1259 CD1 TRP A 80 -5.995 15.410 0.614 1.00 0.00 C ATOM 1260 CD2 TRP A 80 -4.017 16.401 0.481 1.00 0.00 C ATOM 1261 NE1 TRP A 80 -5.714 15.593 -0.724 1.00 0.00 N ATOM 1262 CE2 TRP A 80 -4.473 16.214 -0.808 1.00 0.00 C ATOM 1263 CE3 TRP A 80 -2.777 17.011 0.738 1.00 0.00 C ATOM 1264 CZ2 TRP A 80 -3.751 16.610 -1.941 1.00 0.00 C ATOM 1265 CZ3 TRP A 80 -2.069 17.401 -0.404 1.00 0.00 C ATOM 1266 CH2 TRP A 80 -2.513 17.219 -1.708 1.00 0.00 C ATOM 0 H TRP A 80 -5.132 16.108 5.381 1.00 0.00 H new ATOM 0 HA TRP A 80 -6.604 17.110 3.180 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -4.185 16.602 3.238 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -4.570 14.893 3.248 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -6.897 14.948 0.989 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.308 15.322 -1.508 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -2.400 17.166 1.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -4.129 16.454 -2.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.110 17.877 -0.262 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -1.905 17.546 -2.538 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.040 3.032 1.701 1.00 0.00 N ATOM 1384 CA LYS A 88 -12.945 1.887 0.811 1.00 0.00 C ATOM 1385 C LYS A 88 -11.541 1.831 0.206 1.00 0.00 C ATOM 1386 O LYS A 88 -11.272 1.017 -0.675 1.00 0.00 O ATOM 1387 CB LYS A 88 -14.063 1.926 -0.233 1.00 0.00 C ATOM 1388 CG LYS A 88 -15.409 1.546 0.389 1.00 0.00 C ATOM 1389 CD LYS A 88 -16.035 0.357 -0.343 1.00 0.00 C ATOM 1390 CE LYS A 88 -17.326 -0.091 0.344 1.00 0.00 C ATOM 1391 NZ LYS A 88 -18.005 -1.133 -0.457 1.00 0.00 N ATOM 0 HA LYS A 88 -13.090 0.960 1.366 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.127 2.925 -0.665 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -13.829 1.241 -1.048 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.270 1.298 1.441 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -16.086 2.399 0.349 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -16.245 0.631 -1.377 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -15.327 -0.471 -0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.101 -0.477 1.338 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.989 0.764 0.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.879 -1.426 0.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -18.237 -0.752 -1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -17.376 -1.955 -0.562 1.00 0.00 H new ATOM 1404 N LEU A 89 -10.681 2.708 0.704 1.00 0.00 N ATOM 1405 CA LEU A 89 -9.312 2.768 0.225 1.00 0.00 C ATOM 1406 C LEU A 89 -8.354 2.578 1.402 1.00 0.00 C ATOM 1407 O LEU A 89 -8.366 3.364 2.349 1.00 0.00 O ATOM 1408 CB LEU A 89 -9.074 4.061 -0.558 1.00 0.00 C ATOM 1409 CG LEU A 89 -7.659 4.638 -0.489 1.00 0.00 C ATOM 1410 CD1 LEU A 89 -6.630 3.630 -1.002 1.00 0.00 C ATOM 1411 CD2 LEU A 89 -7.575 5.972 -1.232 1.00 0.00 C ATOM 0 H LEU A 89 -10.907 3.383 1.435 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.120 1.957 -0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.320 3.879 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.771 4.816 -0.194 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.421 4.836 0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.633 4.066 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.669 2.728 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.854 3.377 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.559 6.361 -1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.841 5.823 -2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.265 6.684 -0.780 1.00 0.00 H new ATOM 1423 N PRO A 90 -7.527 1.505 1.305 1.00 0.00 N ATOM 1424 CA PRO A 90 -6.565 1.202 2.350 1.00 0.00 C ATOM 1425 C PRO A 90 -5.377 2.166 2.299 1.00 0.00 C ATOM 1426 O PRO A 90 -4.754 2.333 1.252 1.00 0.00 O ATOM 1427 CB PRO A 90 -6.166 -0.245 2.113 1.00 0.00 C ATOM 1428 CG PRO A 90 -6.560 -0.555 0.678 1.00 0.00 C ATOM 1429 CD PRO A 90 -7.484 0.553 0.198 1.00 0.00 C ATOM 0 HA PRO A 90 -6.979 1.327 3.350 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.095 -0.385 2.263 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.675 -0.910 2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.675 -0.616 0.044 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.061 -1.521 0.620 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.104 1.019 -0.711 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.477 0.168 -0.032 1.00 0.00 H new ATOM 1437 N VAL A 91 -5.098 2.774 3.443 1.00 0.00 N ATOM 1438 CA VAL A 91 -3.998 3.716 3.540 1.00 0.00 C ATOM 1439 C VAL A 91 -3.364 3.611 4.929 1.00 0.00 C ATOM 1440 O VAL A 91 -4.021 3.869 5.935 1.00 0.00 O ATOM 1441 CB VAL A 91 -4.485 5.128 3.211 1.00 0.00 C ATOM 1442 CG1 VAL A 91 -3.531 6.184 3.774 1.00 0.00 C ATOM 1443 CG2 VAL A 91 -4.672 5.308 1.703 1.00 0.00 C ATOM 0 H VAL A 91 -5.616 2.632 4.310 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.225 3.476 2.810 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.456 5.265 3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.901 7.179 3.525 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.471 6.079 4.857 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.540 6.047 3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.019 6.321 1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.722 5.140 1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.409 4.592 1.340 1.00 0.00 H new ATOM 1453 N VAL A 92 -2.095 3.231 4.937 1.00 0.00 N ATOM 1454 CA VAL A 92 -1.365 3.088 6.187 1.00 0.00 C ATOM 1455 C VAL A 92 -0.283 4.169 6.266 1.00 0.00 C ATOM 1456 O VAL A 92 0.440 4.400 5.299 1.00 0.00 O ATOM 1457 CB VAL A 92 -0.804 1.670 6.306 1.00 0.00 C ATOM 1458 CG1 VAL A 92 -0.104 1.470 7.651 1.00 0.00 C ATOM 1459 CG2 VAL A 92 -1.903 0.628 6.097 1.00 0.00 C ATOM 0 H VAL A 92 -1.553 3.018 4.099 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.031 3.231 7.038 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.061 1.534 5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.286 0.454 7.711 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.718 2.180 7.743 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.816 1.633 8.460 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.478 -0.372 6.187 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.679 0.761 6.851 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.336 0.750 5.104 1.00 0.00 H new ATOM 1469 N THR A 93 -0.207 4.800 7.428 1.00 0.00 N ATOM 1470 CA THR A 93 0.775 5.850 7.646 1.00 0.00 C ATOM 1471 C THR A 93 1.875 5.361 8.590 1.00 0.00 C ATOM 1472 O THR A 93 1.611 5.058 9.752 1.00 0.00 O ATOM 1473 CB THR A 93 0.036 7.087 8.161 1.00 0.00 C ATOM 1474 OG1 THR A 93 -0.912 6.564 9.087 1.00 0.00 O ATOM 1475 CG2 THR A 93 -0.823 7.748 7.082 1.00 0.00 C ATOM 0 H THR A 93 -0.809 4.605 8.228 1.00 0.00 H new ATOM 0 HA THR A 93 1.282 6.119 6.719 1.00 0.00 H new ATOM 0 HB THR A 93 0.759 7.809 8.542 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.473 5.911 9.671 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.325 8.620 7.500 1.00 0.00 H new ATOM 0 HG22 THR A 93 -0.189 8.058 6.251 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.568 7.037 6.724 1.00 0.00 H new ATOM 1483 N ASP A 94 3.085 5.303 8.055 1.00 0.00 N ATOM 1484 CA ASP A 94 4.228 4.858 8.836 1.00 0.00 C ATOM 1485 C ASP A 94 5.147 6.049 9.113 1.00 0.00 C ATOM 1486 O ASP A 94 5.788 6.568 8.201 1.00 0.00 O ATOM 1487 CB ASP A 94 5.036 3.804 8.076 1.00 0.00 C ATOM 1488 CG ASP A 94 6.155 3.143 8.883 1.00 0.00 C ATOM 1489 OD1 ASP A 94 6.587 3.663 9.923 1.00 0.00 O ATOM 1490 OD2 ASP A 94 6.594 2.031 8.397 1.00 0.00 O ATOM 0 H ASP A 94 3.300 5.556 7.091 1.00 0.00 H new ATOM 0 HA ASP A 94 3.855 4.427 9.765 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.355 3.029 7.725 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.472 4.270 7.192 1.00 0.00 H new ATOM 1496 N ASN A 95 5.181 6.449 10.375 1.00 0.00 N ATOM 1497 CA ASN A 95 6.011 7.569 10.784 1.00 0.00 C ATOM 1498 C ASN A 95 7.471 7.269 10.441 1.00 0.00 C ATOM 1499 O ASN A 95 8.073 6.363 11.014 1.00 0.00 O ATOM 1500 CB ASN A 95 5.918 7.801 12.294 1.00 0.00 C ATOM 1501 CG ASN A 95 6.637 9.091 12.695 1.00 0.00 C ATOM 1502 OD1 ASN A 95 7.698 9.423 12.191 1.00 0.00 O ATOM 1503 ND2 ASN A 95 6.005 9.795 13.628 1.00 0.00 N ATOM 0 H ASN A 95 4.647 6.017 11.129 1.00 0.00 H new ATOM 0 HA ASN A 95 5.660 8.458 10.260 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.871 7.855 12.594 1.00 0.00 H new ATOM 0 HB3 ASN A 95 6.358 6.956 12.823 1.00 0.00 H new ATOM 0 HD21 ASN A 95 6.405 10.671 13.965 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.120 9.460 14.008 1.00 0.00 H new ATOM 1510 N GLY A 96 7.998 8.048 9.506 1.00 0.00 N ATOM 1511 CA GLY A 96 9.376 7.877 9.080 1.00 0.00 C ATOM 1512 C GLY A 96 9.478 6.842 7.959 1.00 0.00 C ATOM 1513 O GLY A 96 10.453 6.828 7.208 1.00 0.00 O ATOM 0 H GLY A 96 7.495 8.798 9.032 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.775 8.831 8.736 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.986 7.563 9.927 1.00 0.00 H new ATOM 1517 N GLY A 97 8.459 5.998 7.880 1.00 0.00 N ATOM 1518 CA GLY A 97 8.422 4.961 6.862 1.00 0.00 C ATOM 1519 C GLY A 97 9.522 3.924 7.095 1.00 0.00 C ATOM 1520 O GLY A 97 10.524 3.905 6.381 1.00 0.00 O ATOM 0 H GLY A 97 7.653 6.011 8.505 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.448 4.472 6.872 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.543 5.410 5.876 1.00 0.00 H new ATOM 1524 N THR A 98 9.300 3.088 8.099 1.00 0.00 N ATOM 1525 CA THR A 98 10.261 2.050 8.434 1.00 0.00 C ATOM 1526 C THR A 98 10.297 0.983 7.340 1.00 0.00 C ATOM 1527 O THR A 98 11.329 0.347 7.122 1.00 0.00 O ATOM 1528 CB THR A 98 9.894 1.495 9.812 1.00 0.00 C ATOM 1529 OG1 THR A 98 10.634 2.305 10.721 1.00 0.00 O ATOM 1530 CG2 THR A 98 10.441 0.084 10.040 1.00 0.00 C ATOM 0 H THR A 98 8.470 3.108 8.691 1.00 0.00 H new ATOM 0 HA THR A 98 11.274 2.450 8.487 1.00 0.00 H new ATOM 0 HB THR A 98 8.810 1.486 9.922 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.454 2.015 11.639 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.152 -0.262 11.032 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.033 -0.590 9.287 1.00 0.00 H new ATOM 0 HG23 THR A 98 11.528 0.098 9.963 1.00 0.00 H new ATOM 1538 N ILE A 99 9.160 0.818 6.679 1.00 0.00 N ATOM 1539 CA ILE A 99 9.050 -0.162 5.612 1.00 0.00 C ATOM 1540 C ILE A 99 9.712 0.390 4.349 1.00 0.00 C ATOM 1541 O ILE A 99 10.327 -0.356 3.589 1.00 0.00 O ATOM 1542 CB ILE A 99 7.590 -0.574 5.412 1.00 0.00 C ATOM 1543 CG1 ILE A 99 6.927 -0.907 6.750 1.00 0.00 C ATOM 1544 CG2 ILE A 99 7.478 -1.728 4.415 1.00 0.00 C ATOM 1545 CD1 ILE A 99 5.531 -0.286 6.838 1.00 0.00 C ATOM 0 H ILE A 99 8.307 1.347 6.862 1.00 0.00 H new ATOM 0 HA ILE A 99 9.581 -1.076 5.877 1.00 0.00 H new ATOM 0 HB ILE A 99 7.051 0.273 4.987 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.856 -1.988 6.866 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.545 -0.539 7.568 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.430 -2.001 4.291 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.889 -1.419 3.454 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.035 -2.587 4.789 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.081 -0.537 7.798 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.608 0.797 6.746 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.908 -0.675 6.033 1.00 0.00 H new ATOM 1557 N ALA A 100 9.563 1.694 4.161 1.00 0.00 N ATOM 1558 CA ALA A 100 10.139 2.355 3.003 1.00 0.00 C ATOM 1559 C ALA A 100 11.661 2.391 3.146 1.00 0.00 C ATOM 1560 O ALA A 100 12.385 2.196 2.170 1.00 0.00 O ATOM 1561 CB ALA A 100 9.533 3.752 2.859 1.00 0.00 C ATOM 0 H ALA A 100 9.051 2.310 4.792 1.00 0.00 H new ATOM 0 HA ALA A 100 9.907 1.804 2.092 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.965 4.248 1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.454 3.669 2.730 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.748 4.336 3.754 1.00 0.00 H new ATOM 1567 N GLN A 101 12.102 2.643 4.369 1.00 0.00 N ATOM 1568 CA GLN A 101 13.527 2.708 4.653 1.00 0.00 C ATOM 1569 C GLN A 101 14.103 1.299 4.803 1.00 0.00 C ATOM 1570 O GLN A 101 15.263 1.060 4.470 1.00 0.00 O ATOM 1571 CB GLN A 101 13.800 3.549 5.901 1.00 0.00 C ATOM 1572 CG GLN A 101 13.725 2.692 7.166 1.00 0.00 C ATOM 1573 CD GLN A 101 13.919 3.546 8.420 1.00 0.00 C ATOM 1574 OE1 GLN A 101 13.903 4.766 8.380 1.00 0.00 O ATOM 1575 NE2 GLN A 101 14.102 2.841 9.532 1.00 0.00 N ATOM 0 H GLN A 101 11.499 2.805 5.175 1.00 0.00 H new ATOM 0 HA GLN A 101 14.023 3.194 3.813 1.00 0.00 H new ATOM 0 HB2 GLN A 101 14.786 4.008 5.826 1.00 0.00 H new ATOM 0 HB3 GLN A 101 13.075 4.360 5.963 1.00 0.00 H new ATOM 0 HG2 GLN A 101 12.760 2.188 7.211 1.00 0.00 H new ATOM 0 HG3 GLN A 101 14.489 1.915 7.129 1.00 0.00 H new ATOM 0 HE21 GLN A 101 14.104 1.822 9.495 1.00 0.00 H new ATOM 0 HE22 GLN A 101 14.240 3.319 10.422 1.00 0.00 H new ATOM 1584 N SER A 102 13.266 0.403 5.304 1.00 0.00 N ATOM 1585 CA SER A 102 13.677 -0.977 5.503 1.00 0.00 C ATOM 1586 C SER A 102 14.005 -1.624 4.157 1.00 0.00 C ATOM 1587 O SER A 102 14.881 -2.483 4.075 1.00 0.00 O ATOM 1588 CB SER A 102 12.591 -1.776 6.227 1.00 0.00 C ATOM 1589 OG SER A 102 12.810 -3.181 6.131 1.00 0.00 O ATOM 0 H SER A 102 12.305 0.605 5.578 1.00 0.00 H new ATOM 0 HA SER A 102 14.570 -0.982 6.128 1.00 0.00 H new ATOM 0 HB2 SER A 102 12.565 -1.484 7.277 1.00 0.00 H new ATOM 0 HB3 SER A 102 11.617 -1.531 5.803 1.00 0.00 H new ATOM 0 HG SER A 102 12.097 -3.656 6.607 1.00 0.00 H new ATOM 1595 N LEU A 103 13.283 -1.188 3.135 1.00 0.00 N ATOM 1596 CA LEU A 103 13.486 -1.714 1.796 1.00 0.00 C ATOM 1597 C LEU A 103 14.331 -0.727 0.987 1.00 0.00 C ATOM 1598 O LEU A 103 14.750 -1.033 -0.127 1.00 0.00 O ATOM 1599 CB LEU A 103 12.144 -2.054 1.144 1.00 0.00 C ATOM 1600 CG LEU A 103 11.596 -3.454 1.427 1.00 0.00 C ATOM 1601 CD1 LEU A 103 10.074 -3.489 1.270 1.00 0.00 C ATOM 1602 CD2 LEU A 103 12.287 -4.501 0.553 1.00 0.00 C ATOM 0 H LEU A 103 12.556 -0.476 3.208 1.00 0.00 H new ATOM 0 HA LEU A 103 14.041 -2.651 1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 103 11.406 -1.323 1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 103 12.247 -1.937 0.065 1.00 0.00 H new ATOM 0 HG LEU A 103 11.818 -3.704 2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.710 -4.495 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.620 -2.788 1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.807 -3.209 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.878 -5.487 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 103 12.118 -4.266 -0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 103 13.357 -4.497 0.758 1.00 0.00 H new ATOM 1614 N ASN A 104 14.554 0.436 1.580 1.00 0.00 N ATOM 1615 CA ASN A 104 15.341 1.469 0.929 1.00 0.00 C ATOM 1616 C ASN A 104 14.641 1.897 -0.363 1.00 0.00 C ATOM 1617 O ASN A 104 15.194 1.742 -1.452 1.00 0.00 O ATOM 1618 CB ASN A 104 16.734 0.953 0.565 1.00 0.00 C ATOM 1619 CG ASN A 104 17.540 2.025 -0.171 1.00 0.00 C ATOM 1620 OD1 ASN A 104 17.644 3.163 0.257 1.00 0.00 O ATOM 1621 ND2 ASN A 104 18.102 1.599 -1.299 1.00 0.00 N ATOM 0 H ASN A 104 14.203 0.686 2.505 1.00 0.00 H new ATOM 0 HA ASN A 104 15.437 2.307 1.620 1.00 0.00 H new ATOM 0 HB2 ASN A 104 17.262 0.653 1.470 1.00 0.00 H new ATOM 0 HB3 ASN A 104 16.645 0.066 -0.062 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.661 2.239 -1.864 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.974 0.633 -1.599 1.00 0.00 H new ATOM 1628 N ILE A 105 13.438 2.428 -0.200 1.00 0.00 N ATOM 1629 CA ILE A 105 12.659 2.880 -1.341 1.00 0.00 C ATOM 1630 C ILE A 105 12.890 4.377 -1.550 1.00 0.00 C ATOM 1631 O ILE A 105 13.579 4.779 -2.487 1.00 0.00 O ATOM 1632 CB ILE A 105 11.187 2.501 -1.167 1.00 0.00 C ATOM 1633 CG1 ILE A 105 11.047 1.099 -0.572 1.00 0.00 C ATOM 1634 CG2 ILE A 105 10.425 2.642 -2.486 1.00 0.00 C ATOM 1635 CD1 ILE A 105 9.584 0.778 -0.262 1.00 0.00 C ATOM 0 H ILE A 105 12.984 2.555 0.704 1.00 0.00 H new ATOM 0 HA ILE A 105 12.988 2.378 -2.251 1.00 0.00 H new ATOM 0 HB ILE A 105 10.737 3.197 -0.459 1.00 0.00 H new ATOM 0 HG12 ILE A 105 11.444 0.362 -1.270 1.00 0.00 H new ATOM 0 HG13 ILE A 105 11.640 1.026 0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 105 9.381 2.367 -2.334 1.00 0.00 H new ATOM 0 HG22 ILE A 105 10.481 3.675 -2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 105 10.869 1.985 -3.234 1.00 0.00 H new ATOM 0 HD11 ILE A 105 9.513 -0.225 0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 105 9.197 1.502 0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 105 8.998 0.828 -1.180 1.00 0.00 H new ATOM 1647 N SER A 106 12.299 5.163 -0.661 1.00 0.00 N ATOM 1648 CA SER A 106 12.432 6.608 -0.736 1.00 0.00 C ATOM 1649 C SER A 106 12.042 7.097 -2.132 1.00 0.00 C ATOM 1650 O SER A 106 12.523 8.134 -2.588 1.00 0.00 O ATOM 1651 CB SER A 106 13.857 7.050 -0.399 1.00 0.00 C ATOM 1652 OG SER A 106 14.830 6.345 -1.165 1.00 0.00 O ATOM 0 H SER A 106 11.728 4.826 0.114 1.00 0.00 H new ATOM 0 HA SER A 106 11.760 7.051 -0.001 1.00 0.00 H new ATOM 0 HB2 SER A 106 13.957 8.120 -0.582 1.00 0.00 H new ATOM 0 HB3 SER A 106 14.045 6.889 0.663 1.00 0.00 H new ATOM 0 HG SER A 106 14.444 6.091 -2.029 1.00 0.00 H new ATOM 1658 N VAL A 107 11.174 6.329 -2.773 1.00 0.00 N ATOM 1659 CA VAL A 107 10.713 6.671 -4.108 1.00 0.00 C ATOM 1660 C VAL A 107 9.276 6.177 -4.290 1.00 0.00 C ATOM 1661 O VAL A 107 8.965 5.031 -3.972 1.00 0.00 O ATOM 1662 CB VAL A 107 11.676 6.105 -5.155 1.00 0.00 C ATOM 1663 CG1 VAL A 107 11.991 4.635 -4.872 1.00 0.00 C ATOM 1664 CG2 VAL A 107 11.118 6.285 -6.567 1.00 0.00 C ATOM 0 H VAL A 107 10.777 5.470 -2.392 1.00 0.00 H new ATOM 0 HA VAL A 107 10.705 7.753 -4.243 1.00 0.00 H new ATOM 0 HB VAL A 107 12.609 6.665 -5.090 1.00 0.00 H new ATOM 0 HG11 VAL A 107 12.677 4.257 -5.630 1.00 0.00 H new ATOM 0 HG12 VAL A 107 12.452 4.544 -3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 107 11.069 4.054 -4.895 1.00 0.00 H new ATOM 0 HG21 VAL A 107 11.822 5.875 -7.291 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.165 5.763 -6.651 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.969 7.346 -6.767 1.00 0.00 H new ATOM 1674 N TYR A 108 8.439 7.069 -4.799 1.00 0.00 N ATOM 1675 CA TYR A 108 7.042 6.740 -5.026 1.00 0.00 C ATOM 1676 C TYR A 108 6.605 7.147 -6.434 1.00 0.00 C ATOM 1677 O TYR A 108 7.166 8.073 -7.019 1.00 0.00 O ATOM 1678 CB TYR A 108 6.245 7.550 -4.003 1.00 0.00 C ATOM 1679 CG TYR A 108 6.729 7.380 -2.561 1.00 0.00 C ATOM 1680 CD1 TYR A 108 7.031 6.123 -2.078 1.00 0.00 C ATOM 1681 CD2 TYR A 108 6.864 8.485 -1.744 1.00 0.00 C ATOM 1682 CE1 TYR A 108 7.488 5.964 -0.721 1.00 0.00 C ATOM 1683 CE2 TYR A 108 7.320 8.324 -0.386 1.00 0.00 C ATOM 1684 CZ TYR A 108 7.608 7.072 0.058 1.00 0.00 C ATOM 1685 OH TYR A 108 8.039 6.921 1.339 1.00 0.00 O ATOM 0 H TYR A 108 8.701 8.019 -5.061 1.00 0.00 H new ATOM 0 HA TYR A 108 6.880 5.667 -4.926 1.00 0.00 H new ATOM 0 HB2 TYR A 108 6.297 8.605 -4.271 1.00 0.00 H new ATOM 0 HB3 TYR A 108 5.197 7.257 -4.060 1.00 0.00 H new ATOM 0 HD1 TYR A 108 6.925 5.259 -2.717 1.00 0.00 H new ATOM 0 HD2 TYR A 108 6.628 9.469 -2.122 1.00 0.00 H new ATOM 0 HE1 TYR A 108 7.730 4.986 -0.331 1.00 0.00 H new ATOM 0 HE2 TYR A 108 7.430 9.179 0.264 1.00 0.00 H new ATOM 0 HH TYR A 108 7.796 7.714 1.861 1.00 0.00 H new ATOM 1695 N PRO A 109 5.580 6.417 -6.951 1.00 0.00 N ATOM 1696 CA PRO A 109 4.971 5.338 -6.192 1.00 0.00 C ATOM 1697 C PRO A 109 5.879 4.107 -6.164 1.00 0.00 C ATOM 1698 O PRO A 109 6.911 4.078 -6.834 1.00 0.00 O ATOM 1699 CB PRO A 109 3.639 5.079 -6.876 1.00 0.00 C ATOM 1700 CG PRO A 109 3.753 5.696 -8.260 1.00 0.00 C ATOM 1701 CD PRO A 109 4.976 6.600 -8.268 1.00 0.00 C ATOM 0 HA PRO A 109 4.821 5.594 -5.143 1.00 0.00 H new ATOM 0 HB2 PRO A 109 3.435 4.010 -6.941 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.819 5.527 -6.315 1.00 0.00 H new ATOM 0 HG2 PRO A 109 3.848 4.918 -9.018 1.00 0.00 H new ATOM 0 HG3 PRO A 109 2.855 6.266 -8.499 1.00 0.00 H new ATOM 0 HD2 PRO A 109 5.668 6.323 -9.063 1.00 0.00 H new ATOM 0 HD3 PRO A 109 4.698 7.641 -8.435 1.00 0.00 H new ATOM 1709 N SER A 110 5.462 3.122 -5.383 1.00 0.00 N ATOM 1710 CA SER A 110 6.226 1.892 -5.261 1.00 0.00 C ATOM 1711 C SER A 110 5.305 0.744 -4.838 1.00 0.00 C ATOM 1712 O SER A 110 4.273 0.973 -4.209 1.00 0.00 O ATOM 1713 CB SER A 110 7.369 2.050 -4.257 1.00 0.00 C ATOM 1714 OG SER A 110 7.359 3.332 -3.635 1.00 0.00 O ATOM 0 H SER A 110 4.606 3.150 -4.829 1.00 0.00 H new ATOM 0 HA SER A 110 6.661 1.663 -6.234 1.00 0.00 H new ATOM 0 HB2 SER A 110 7.291 1.276 -3.494 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.322 1.901 -4.765 1.00 0.00 H new ATOM 0 HG SER A 110 8.034 3.905 -4.055 1.00 0.00 H new ATOM 1720 N TRP A 111 5.712 -0.464 -5.200 1.00 0.00 N ATOM 1721 CA TRP A 111 4.936 -1.645 -4.865 1.00 0.00 C ATOM 1722 C TRP A 111 5.849 -2.611 -4.106 1.00 0.00 C ATOM 1723 O TRP A 111 7.010 -2.793 -4.474 1.00 0.00 O ATOM 1724 CB TRP A 111 4.319 -2.268 -6.118 1.00 0.00 C ATOM 1725 CG TRP A 111 3.314 -1.362 -6.833 1.00 0.00 C ATOM 1726 CD1 TRP A 111 3.565 -0.288 -7.593 1.00 0.00 C ATOM 1727 CD2 TRP A 111 1.877 -1.498 -6.823 1.00 0.00 C ATOM 1728 NE1 TRP A 111 2.401 0.277 -8.071 1.00 0.00 N ATOM 1729 CE2 TRP A 111 1.341 -0.482 -7.587 1.00 0.00 C ATOM 1730 CE3 TRP A 111 1.056 -2.447 -6.188 1.00 0.00 C ATOM 1731 CZ2 TRP A 111 -0.034 -0.318 -7.790 1.00 0.00 C ATOM 1732 CZ3 TRP A 111 -0.315 -2.270 -6.399 1.00 0.00 C ATOM 1733 CH2 TRP A 111 -0.871 -1.252 -7.167 1.00 0.00 C ATOM 0 H TRP A 111 6.569 -0.650 -5.722 1.00 0.00 H new ATOM 0 HA TRP A 111 4.094 -1.384 -4.224 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.117 -2.527 -6.813 1.00 0.00 H new ATOM 0 HB3 TRP A 111 3.822 -3.198 -5.842 1.00 0.00 H new ATOM 0 HD1 TRP A 111 4.555 0.088 -7.805 1.00 0.00 H new ATOM 0 HE1 TRP A 111 2.331 1.100 -8.669 1.00 0.00 H new ATOM 0 HE3 TRP A 111 1.453 -3.250 -5.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -0.428 0.485 -8.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -0.990 -2.973 -5.933 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -1.943 -1.182 -7.282 1.00 0.00 H new ATOM 1744 N ALA A 112 5.292 -3.204 -3.061 1.00 0.00 N ATOM 1745 CA ALA A 112 6.041 -4.145 -2.247 1.00 0.00 C ATOM 1746 C ALA A 112 5.227 -5.430 -2.082 1.00 0.00 C ATOM 1747 O ALA A 112 4.023 -5.380 -1.835 1.00 0.00 O ATOM 1748 CB ALA A 112 6.387 -3.498 -0.905 1.00 0.00 C ATOM 0 H ALA A 112 4.330 -3.051 -2.759 1.00 0.00 H new ATOM 0 HA ALA A 112 6.980 -4.409 -2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 112 6.949 -4.205 -0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 112 6.990 -2.606 -1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 112 5.469 -3.221 -0.387 1.00 0.00 H new ATOM 1754 N LEU A 113 5.917 -6.553 -2.222 1.00 0.00 N ATOM 1755 CA LEU A 113 5.273 -7.849 -2.093 1.00 0.00 C ATOM 1756 C LEU A 113 5.724 -8.508 -0.788 1.00 0.00 C ATOM 1757 O LEU A 113 6.915 -8.525 -0.476 1.00 0.00 O ATOM 1758 CB LEU A 113 5.531 -8.703 -3.336 1.00 0.00 C ATOM 1759 CG LEU A 113 4.733 -10.004 -3.432 1.00 0.00 C ATOM 1760 CD1 LEU A 113 3.255 -9.722 -3.706 1.00 0.00 C ATOM 1761 CD2 LEU A 113 5.341 -10.944 -4.476 1.00 0.00 C ATOM 0 H LEU A 113 6.916 -6.592 -2.424 1.00 0.00 H new ATOM 0 HA LEU A 113 4.191 -7.733 -2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 113 5.314 -8.101 -4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 113 6.593 -8.948 -3.371 1.00 0.00 H new ATOM 0 HG LEU A 113 4.790 -10.512 -2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 113 2.711 -10.664 -3.770 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.844 -9.119 -2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.156 -9.182 -4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.755 -11.862 -4.525 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.335 -10.457 -5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.367 -11.183 -4.197 1.00 0.00 H new ATOM 1773 N ILE A 114 4.751 -9.037 -0.062 1.00 0.00 N ATOM 1774 CA ILE A 114 5.034 -9.696 1.203 1.00 0.00 C ATOM 1775 C ILE A 114 4.525 -11.138 1.145 1.00 0.00 C ATOM 1776 O ILE A 114 3.332 -11.373 0.960 1.00 0.00 O ATOM 1777 CB ILE A 114 4.460 -8.889 2.369 1.00 0.00 C ATOM 1778 CG1 ILE A 114 4.672 -7.388 2.154 1.00 0.00 C ATOM 1779 CG2 ILE A 114 5.039 -9.364 3.702 1.00 0.00 C ATOM 1780 CD1 ILE A 114 6.136 -7.004 2.378 1.00 0.00 C ATOM 0 H ILE A 114 3.766 -9.023 -0.325 1.00 0.00 H new ATOM 0 HA ILE A 114 6.109 -9.742 1.376 1.00 0.00 H new ATOM 0 HB ILE A 114 3.384 -9.060 2.406 1.00 0.00 H new ATOM 0 HG12 ILE A 114 4.372 -7.116 1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.036 -6.826 2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 114 4.614 -8.774 4.514 1.00 0.00 H new ATOM 0 HG22 ILE A 114 4.794 -10.416 3.851 1.00 0.00 H new ATOM 0 HG23 ILE A 114 6.122 -9.242 3.692 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.260 -5.933 2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.426 -7.255 3.398 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.767 -7.550 1.677 1.00 0.00 H new ATOM 1792 N GLY A 115 5.457 -12.066 1.305 1.00 0.00 N ATOM 1793 CA GLY A 115 5.120 -13.480 1.273 1.00 0.00 C ATOM 1794 C GLY A 115 3.942 -13.782 2.200 1.00 0.00 C ATOM 1795 O GLY A 115 3.592 -12.967 3.052 1.00 0.00 O ATOM 0 H GLY A 115 6.446 -11.867 1.457 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.871 -13.775 0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 115 5.985 -14.071 1.574 1.00 0.00 H new ATOM 1799 N LYS A 116 3.361 -14.956 2.002 1.00 0.00 N ATOM 1800 CA LYS A 116 2.228 -15.376 2.809 1.00 0.00 C ATOM 1801 C LYS A 116 2.697 -15.634 4.243 1.00 0.00 C ATOM 1802 O LYS A 116 1.881 -15.730 5.159 1.00 0.00 O ATOM 1803 CB LYS A 116 1.528 -16.576 2.167 1.00 0.00 C ATOM 1804 CG LYS A 116 2.485 -17.760 2.029 1.00 0.00 C ATOM 1805 CD LYS A 116 2.543 -18.254 0.582 1.00 0.00 C ATOM 1806 CE LYS A 116 3.949 -18.736 0.221 1.00 0.00 C ATOM 1807 NZ LYS A 116 4.462 -18.010 -0.961 1.00 0.00 N ATOM 0 H LYS A 116 3.654 -15.630 1.294 1.00 0.00 H new ATOM 0 HA LYS A 116 1.479 -14.585 2.854 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.669 -16.867 2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.146 -16.296 1.185 1.00 0.00 H new ATOM 0 HG2 LYS A 116 3.482 -17.466 2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 116 2.161 -18.571 2.681 1.00 0.00 H new ATOM 0 HD2 LYS A 116 1.830 -19.066 0.443 1.00 0.00 H new ATOM 0 HD3 LYS A 116 2.246 -17.450 -0.092 1.00 0.00 H new ATOM 0 HE2 LYS A 116 4.619 -18.584 1.067 1.00 0.00 H new ATOM 0 HE3 LYS A 116 3.931 -19.807 0.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 5.417 -18.351 -1.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.831 -18.176 -1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 4.499 -16.991 -0.754 1.00 0.00 H new ATOM 1820 N ASP A 117 4.010 -15.740 4.393 1.00 0.00 N ATOM 1821 CA ASP A 117 4.596 -15.984 5.700 1.00 0.00 C ATOM 1822 C ASP A 117 4.632 -14.675 6.490 1.00 0.00 C ATOM 1823 O ASP A 117 4.689 -14.689 7.719 1.00 0.00 O ATOM 1824 CB ASP A 117 6.032 -16.499 5.570 1.00 0.00 C ATOM 1825 CG ASP A 117 6.357 -17.181 4.241 1.00 0.00 C ATOM 1826 OD1 ASP A 117 5.557 -17.967 3.713 1.00 0.00 O ATOM 1827 OD2 ASP A 117 7.504 -16.872 3.736 1.00 0.00 O ATOM 0 H ASP A 117 4.684 -15.661 3.631 1.00 0.00 H new ATOM 0 HA ASP A 117 3.989 -16.732 6.209 1.00 0.00 H new ATOM 0 HB2 ASP A 117 6.716 -15.662 5.708 1.00 0.00 H new ATOM 0 HB3 ASP A 117 6.224 -17.204 6.379 1.00 0.00 H new ATOM 1833 N GLY A 118 4.598 -13.574 5.753 1.00 0.00 N ATOM 1834 CA GLY A 118 4.625 -12.259 6.371 1.00 0.00 C ATOM 1835 C GLY A 118 6.023 -11.642 6.285 1.00 0.00 C ATOM 1836 O GLY A 118 6.403 -10.837 7.134 1.00 0.00 O ATOM 0 H GLY A 118 4.552 -13.566 4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 118 3.905 -11.606 5.878 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.322 -12.337 7.415 1.00 0.00 H new ATOM 1840 N ASP A 119 6.749 -12.045 5.253 1.00 0.00 N ATOM 1841 CA ASP A 119 8.097 -11.541 5.045 1.00 0.00 C ATOM 1842 C ASP A 119 8.211 -10.970 3.630 1.00 0.00 C ATOM 1843 O ASP A 119 7.487 -11.390 2.728 1.00 0.00 O ATOM 1844 CB ASP A 119 9.131 -12.660 5.188 1.00 0.00 C ATOM 1845 CG ASP A 119 9.288 -13.555 3.958 1.00 0.00 C ATOM 1846 OD1 ASP A 119 8.302 -14.075 3.414 1.00 0.00 O ATOM 1847 OD2 ASP A 119 10.503 -13.715 3.551 1.00 0.00 O ATOM 0 H ASP A 119 6.430 -12.714 4.552 1.00 0.00 H new ATOM 0 HA ASP A 119 8.290 -10.774 5.795 1.00 0.00 H new ATOM 0 HB2 ASP A 119 10.098 -12.213 5.420 1.00 0.00 H new ATOM 0 HB3 ASP A 119 8.855 -13.283 6.039 1.00 0.00 H new ATOM 1853 N VAL A 120 9.123 -10.021 3.481 1.00 0.00 N ATOM 1854 CA VAL A 120 9.341 -9.388 2.192 1.00 0.00 C ATOM 1855 C VAL A 120 9.579 -10.467 1.132 1.00 0.00 C ATOM 1856 O VAL A 120 10.537 -11.231 1.225 1.00 0.00 O ATOM 1857 CB VAL A 120 10.489 -8.383 2.289 1.00 0.00 C ATOM 1858 CG1 VAL A 120 10.873 -7.852 0.906 1.00 0.00 C ATOM 1859 CG2 VAL A 120 10.135 -7.235 3.239 1.00 0.00 C ATOM 0 H VAL A 120 9.720 -9.675 4.232 1.00 0.00 H new ATOM 0 HA VAL A 120 8.458 -8.824 1.890 1.00 0.00 H new ATOM 0 HB VAL A 120 11.355 -8.903 2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.692 -7.139 1.004 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.188 -8.681 0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 120 10.013 -7.357 0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 120 10.969 -6.535 3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 120 9.249 -6.718 2.871 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.935 -7.634 4.233 1.00 0.00 H new ATOM 1869 N GLN A 121 8.689 -10.493 0.151 1.00 0.00 N ATOM 1870 CA GLN A 121 8.791 -11.464 -0.925 1.00 0.00 C ATOM 1871 C GLN A 121 9.503 -10.850 -2.131 1.00 0.00 C ATOM 1872 O GLN A 121 10.515 -11.374 -2.593 1.00 0.00 O ATOM 1873 CB GLN A 121 7.410 -11.996 -1.315 1.00 0.00 C ATOM 1874 CG GLN A 121 7.370 -13.524 -1.241 1.00 0.00 C ATOM 1875 CD GLN A 121 6.576 -14.110 -2.411 1.00 0.00 C ATOM 1876 OE1 GLN A 121 6.506 -13.545 -3.491 1.00 0.00 O ATOM 1877 NE2 GLN A 121 5.987 -15.270 -2.139 1.00 0.00 N ATOM 0 H GLN A 121 7.894 -9.858 0.079 1.00 0.00 H new ATOM 0 HA GLN A 121 9.383 -12.308 -0.571 1.00 0.00 H new ATOM 0 HB2 GLN A 121 6.654 -11.576 -0.651 1.00 0.00 H new ATOM 0 HB3 GLN A 121 7.163 -11.671 -2.326 1.00 0.00 H new ATOM 0 HG2 GLN A 121 8.386 -13.919 -1.253 1.00 0.00 H new ATOM 0 HG3 GLN A 121 6.918 -13.834 -0.299 1.00 0.00 H new ATOM 0 HE21 GLN A 121 6.086 -15.688 -1.214 1.00 0.00 H new ATOM 0 HE22 GLN A 121 5.436 -15.742 -2.855 1.00 0.00 H new ATOM 1886 N ARG A 122 8.944 -9.746 -2.607 1.00 0.00 N ATOM 1887 CA ARG A 122 9.513 -9.054 -3.751 1.00 0.00 C ATOM 1888 C ARG A 122 9.188 -7.561 -3.684 1.00 0.00 C ATOM 1889 O ARG A 122 8.160 -7.170 -3.132 1.00 0.00 O ATOM 1890 CB ARG A 122 8.978 -9.628 -5.065 1.00 0.00 C ATOM 1891 CG ARG A 122 10.118 -9.916 -6.043 1.00 0.00 C ATOM 1892 CD ARG A 122 10.041 -8.993 -7.261 1.00 0.00 C ATOM 1893 NE ARG A 122 10.245 -9.776 -8.501 1.00 0.00 N ATOM 1894 CZ ARG A 122 11.449 -10.204 -8.937 1.00 0.00 C ATOM 1895 NH1 ARG A 122 12.569 -9.929 -8.235 1.00 0.00 N ATOM 1896 NH2 ARG A 122 11.515 -10.895 -10.059 1.00 0.00 N ATOM 0 H ARG A 122 8.104 -9.315 -2.221 1.00 0.00 H new ATOM 0 HA ARG A 122 10.593 -9.195 -3.720 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.424 -10.546 -4.866 1.00 0.00 H new ATOM 0 HB3 ARG A 122 8.278 -8.924 -5.515 1.00 0.00 H new ATOM 0 HG2 ARG A 122 11.076 -9.782 -5.540 1.00 0.00 H new ATOM 0 HG3 ARG A 122 10.071 -10.956 -6.366 1.00 0.00 H new ATOM 0 HD2 ARG A 122 9.072 -8.495 -7.290 1.00 0.00 H new ATOM 0 HD3 ARG A 122 10.798 -8.212 -7.185 1.00 0.00 H new ATOM 0 HE ARG A 122 9.424 -10.007 -9.061 1.00 0.00 H new ATOM 0 HH11 ARG A 122 12.509 -9.394 -7.368 1.00 0.00 H new ATOM 0 HH12 ARG A 122 13.475 -10.256 -8.571 1.00 0.00 H new ATOM 0 HH21 ARG A 122 10.664 -11.099 -10.583 1.00 0.00 H new ATOM 0 HH22 ARG A 122 12.417 -11.226 -10.402 1.00 0.00 H new ATOM 1909 N ILE A 123 10.082 -6.767 -4.252 1.00 0.00 N ATOM 1910 CA ILE A 123 9.902 -5.324 -4.264 1.00 0.00 C ATOM 1911 C ILE A 123 9.759 -4.844 -5.709 1.00 0.00 C ATOM 1912 O ILE A 123 10.430 -5.352 -6.605 1.00 0.00 O ATOM 1913 CB ILE A 123 11.035 -4.637 -3.497 1.00 0.00 C ATOM 1914 CG1 ILE A 123 10.855 -3.118 -3.498 1.00 0.00 C ATOM 1915 CG2 ILE A 123 12.401 -5.053 -4.047 1.00 0.00 C ATOM 1916 CD1 ILE A 123 11.691 -2.465 -2.395 1.00 0.00 C ATOM 0 H ILE A 123 10.934 -7.094 -4.708 1.00 0.00 H new ATOM 0 HA ILE A 123 8.984 -5.050 -3.745 1.00 0.00 H new ATOM 0 HB ILE A 123 10.993 -4.966 -2.459 1.00 0.00 H new ATOM 0 HG12 ILE A 123 11.147 -2.714 -4.468 1.00 0.00 H new ATOM 0 HG13 ILE A 123 9.803 -2.873 -3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 123 13.188 -4.551 -3.485 1.00 0.00 H new ATOM 0 HG22 ILE A 123 12.519 -6.132 -3.951 1.00 0.00 H new ATOM 0 HG23 ILE A 123 12.471 -4.773 -5.098 1.00 0.00 H new ATOM 0 HD11 ILE A 123 11.544 -1.385 -2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 123 11.380 -2.853 -1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 123 12.745 -2.692 -2.555 1.00 0.00 H new ATOM 1928 N VAL A 124 8.880 -3.869 -5.891 1.00 0.00 N ATOM 1929 CA VAL A 124 8.639 -3.314 -7.212 1.00 0.00 C ATOM 1930 C VAL A 124 8.620 -1.787 -7.124 1.00 0.00 C ATOM 1931 O VAL A 124 7.935 -1.219 -6.274 1.00 0.00 O ATOM 1932 CB VAL A 124 7.351 -3.895 -7.797 1.00 0.00 C ATOM 1933 CG1 VAL A 124 6.834 -3.031 -8.949 1.00 0.00 C ATOM 1934 CG2 VAL A 124 7.556 -5.343 -8.246 1.00 0.00 C ATOM 0 H VAL A 124 8.326 -3.449 -5.145 1.00 0.00 H new ATOM 0 HA VAL A 124 9.443 -3.590 -7.894 1.00 0.00 H new ATOM 0 HB VAL A 124 6.596 -3.893 -7.011 1.00 0.00 H new ATOM 0 HG11 VAL A 124 5.917 -3.466 -9.347 1.00 0.00 H new ATOM 0 HG12 VAL A 124 6.629 -2.024 -8.585 1.00 0.00 H new ATOM 0 HG13 VAL A 124 7.586 -2.986 -9.736 1.00 0.00 H new ATOM 0 HG21 VAL A 124 6.625 -5.732 -8.658 1.00 0.00 H new ATOM 0 HG22 VAL A 124 8.334 -5.381 -9.009 1.00 0.00 H new ATOM 0 HG23 VAL A 124 7.856 -5.950 -7.392 1.00 0.00 H new ATOM 1944 N LYS A 125 9.381 -1.165 -8.012 1.00 0.00 N ATOM 1945 CA LYS A 125 9.461 0.285 -8.044 1.00 0.00 C ATOM 1946 C LYS A 125 8.886 0.793 -9.368 1.00 0.00 C ATOM 1947 O LYS A 125 9.235 0.291 -10.435 1.00 0.00 O ATOM 1948 CB LYS A 125 10.895 0.750 -7.780 1.00 0.00 C ATOM 1949 CG LYS A 125 11.849 0.224 -8.854 1.00 0.00 C ATOM 1950 CD LYS A 125 12.668 1.364 -9.464 1.00 0.00 C ATOM 1951 CE LYS A 125 14.097 1.364 -8.918 1.00 0.00 C ATOM 1952 NZ LYS A 125 14.296 2.499 -7.987 1.00 0.00 N ATOM 0 H LYS A 125 9.948 -1.639 -8.715 1.00 0.00 H new ATOM 0 HA LYS A 125 8.858 0.717 -7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 125 10.930 1.839 -7.760 1.00 0.00 H new ATOM 0 HB3 LYS A 125 11.219 0.402 -6.799 1.00 0.00 H new ATOM 0 HG2 LYS A 125 12.519 -0.518 -8.419 1.00 0.00 H new ATOM 0 HG3 LYS A 125 11.280 -0.279 -9.636 1.00 0.00 H new ATOM 0 HD2 LYS A 125 12.689 1.261 -10.549 1.00 0.00 H new ATOM 0 HD3 LYS A 125 12.190 2.319 -9.243 1.00 0.00 H new ATOM 0 HE2 LYS A 125 14.296 0.424 -8.403 1.00 0.00 H new ATOM 0 HE3 LYS A 125 14.807 1.433 -9.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 15.271 2.485 -7.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 14.126 3.394 -8.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 13.631 2.417 -7.192 1.00 0.00 H new ATOM 1965 N GLY A 126 8.014 1.783 -9.256 1.00 0.00 N ATOM 1966 CA GLY A 126 7.386 2.366 -10.430 1.00 0.00 C ATOM 1967 C GLY A 126 5.862 2.257 -10.348 1.00 0.00 C ATOM 1968 O GLY A 126 5.299 2.197 -9.256 1.00 0.00 O ATOM 0 H GLY A 126 7.727 2.197 -8.369 1.00 0.00 H new ATOM 0 HA2 GLY A 126 7.675 3.413 -10.519 1.00 0.00 H new ATOM 0 HA3 GLY A 126 7.743 1.860 -11.327 1.00 0.00 H new ATOM 1972 N SER A 127 5.238 2.236 -11.518 1.00 0.00 N ATOM 1973 CA SER A 127 3.791 2.137 -11.591 1.00 0.00 C ATOM 1974 C SER A 127 3.393 0.955 -12.477 1.00 0.00 C ATOM 1975 O SER A 127 4.030 0.696 -13.497 1.00 0.00 O ATOM 1976 CB SER A 127 3.177 3.432 -12.127 1.00 0.00 C ATOM 1977 OG SER A 127 4.008 4.562 -11.875 1.00 0.00 O ATOM 0 H SER A 127 5.709 2.286 -12.422 1.00 0.00 H new ATOM 0 HA SER A 127 3.407 1.974 -10.584 1.00 0.00 H new ATOM 0 HB2 SER A 127 3.010 3.337 -13.200 1.00 0.00 H new ATOM 0 HB3 SER A 127 2.202 3.589 -11.665 1.00 0.00 H new ATOM 0 HG SER A 127 3.582 5.368 -12.234 1.00 0.00 H new ATOM 1983 N ILE A 128 2.341 0.268 -12.055 1.00 0.00 N ATOM 1984 CA ILE A 128 1.850 -0.880 -12.797 1.00 0.00 C ATOM 1985 C ILE A 128 0.399 -0.630 -13.215 1.00 0.00 C ATOM 1986 O ILE A 128 -0.264 0.251 -12.670 1.00 0.00 O ATOM 1987 CB ILE A 128 2.045 -2.165 -11.988 1.00 0.00 C ATOM 1988 CG1 ILE A 128 1.648 -1.956 -10.526 1.00 0.00 C ATOM 1989 CG2 ILE A 128 3.476 -2.687 -12.125 1.00 0.00 C ATOM 1990 CD1 ILE A 128 1.258 -3.282 -9.869 1.00 0.00 C ATOM 0 H ILE A 128 1.815 0.485 -11.208 1.00 0.00 H new ATOM 0 HA ILE A 128 2.426 -1.017 -13.712 1.00 0.00 H new ATOM 0 HB ILE A 128 1.384 -2.930 -12.395 1.00 0.00 H new ATOM 0 HG12 ILE A 128 2.478 -1.506 -9.981 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.813 -1.258 -10.468 1.00 0.00 H new ATOM 0 HG21 ILE A 128 3.588 -3.600 -11.541 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.687 -2.899 -13.173 1.00 0.00 H new ATOM 0 HG23 ILE A 128 4.174 -1.934 -11.759 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.980 -3.105 -8.830 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.413 -3.717 -10.402 1.00 0.00 H new ATOM 0 HD13 ILE A 128 2.103 -3.969 -9.907 1.00 0.00 H new ATOM 2002 N ASN A 129 -0.050 -1.422 -14.178 1.00 0.00 N ATOM 2003 CA ASN A 129 -1.410 -1.298 -14.674 1.00 0.00 C ATOM 2004 C ASN A 129 -2.236 -2.492 -14.192 1.00 0.00 C ATOM 2005 O ASN A 129 -1.682 -3.489 -13.731 1.00 0.00 O ATOM 2006 CB ASN A 129 -1.440 -1.289 -16.203 1.00 0.00 C ATOM 2007 CG ASN A 129 -0.369 -2.219 -16.777 1.00 0.00 C ATOM 2008 OD1 ASN A 129 -0.366 -3.419 -16.552 1.00 0.00 O ATOM 2009 ND2 ASN A 129 0.536 -1.602 -17.531 1.00 0.00 N ATOM 0 H ASN A 129 0.504 -2.151 -14.628 1.00 0.00 H new ATOM 0 HA ASN A 129 -1.821 -0.360 -14.300 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -2.424 -1.602 -16.553 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -1.279 -0.274 -16.568 1.00 0.00 H new ATOM 0 HD21 ASN A 129 1.291 -2.136 -17.961 1.00 0.00 H new ATOM 0 HD22 ASN A 129 0.475 -0.595 -17.679 1.00 0.00 H new ATOM 2016 N GLU A 130 -3.548 -2.353 -14.315 1.00 0.00 N ATOM 2017 CA GLU A 130 -4.455 -3.409 -13.898 1.00 0.00 C ATOM 2018 C GLU A 130 -4.037 -4.744 -14.518 1.00 0.00 C ATOM 2019 O GLU A 130 -4.200 -5.796 -13.903 1.00 0.00 O ATOM 2020 CB GLU A 130 -5.901 -3.064 -14.260 1.00 0.00 C ATOM 2021 CG GLU A 130 -6.884 -3.962 -13.505 1.00 0.00 C ATOM 2022 CD GLU A 130 -7.859 -3.126 -12.672 1.00 0.00 C ATOM 2023 OE1 GLU A 130 -7.930 -3.297 -11.447 1.00 0.00 O ATOM 2024 OE2 GLU A 130 -8.558 -2.276 -13.343 1.00 0.00 O ATOM 0 H GLU A 130 -4.005 -1.525 -14.698 1.00 0.00 H new ATOM 0 HA GLU A 130 -4.399 -3.502 -12.813 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.100 -2.019 -14.021 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.048 -3.179 -15.334 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -7.439 -4.577 -14.214 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -6.335 -4.643 -12.855 1.00 0.00 H new ATOM 2032 N ALA A 131 -3.507 -4.656 -15.728 1.00 0.00 N ATOM 2033 CA ALA A 131 -3.065 -5.844 -16.439 1.00 0.00 C ATOM 2034 C ALA A 131 -2.034 -6.588 -15.588 1.00 0.00 C ATOM 2035 O ALA A 131 -2.195 -7.775 -15.307 1.00 0.00 O ATOM 2036 CB ALA A 131 -2.511 -5.444 -17.808 1.00 0.00 C ATOM 0 H ALA A 131 -3.373 -3.781 -16.235 1.00 0.00 H new ATOM 0 HA ALA A 131 -3.901 -6.521 -16.611 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.180 -6.335 -18.341 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -3.290 -4.945 -18.384 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -1.668 -4.766 -17.675 1.00 0.00 H new ATOM 2042 N GLN A 132 -0.997 -5.860 -15.202 1.00 0.00 N ATOM 2043 CA GLN A 132 0.061 -6.436 -14.387 1.00 0.00 C ATOM 2044 C GLN A 132 -0.534 -7.140 -13.166 1.00 0.00 C ATOM 2045 O GLN A 132 -0.173 -8.279 -12.866 1.00 0.00 O ATOM 2046 CB GLN A 132 1.071 -5.368 -13.966 1.00 0.00 C ATOM 2047 CG GLN A 132 2.280 -5.356 -14.904 1.00 0.00 C ATOM 2048 CD GLN A 132 2.778 -3.928 -15.139 1.00 0.00 C ATOM 2049 OE1 GLN A 132 2.201 -2.958 -14.676 1.00 0.00 O ATOM 2050 NE2 GLN A 132 3.880 -3.854 -15.881 1.00 0.00 N ATOM 0 H GLN A 132 -0.866 -4.876 -15.438 1.00 0.00 H new ATOM 0 HA GLN A 132 0.593 -7.176 -14.985 1.00 0.00 H new ATOM 0 HB2 GLN A 132 0.593 -4.388 -13.971 1.00 0.00 H new ATOM 0 HB3 GLN A 132 1.401 -5.557 -12.944 1.00 0.00 H new ATOM 0 HG2 GLN A 132 3.082 -5.959 -14.477 1.00 0.00 H new ATOM 0 HG3 GLN A 132 2.010 -5.812 -15.856 1.00 0.00 H new ATOM 0 HE21 GLN A 132 4.313 -4.706 -16.238 1.00 0.00 H new ATOM 0 HE22 GLN A 132 4.292 -2.945 -16.093 1.00 0.00 H new ATOM 2059 N ALA A 133 -1.435 -6.437 -12.496 1.00 0.00 N ATOM 2060 CA ALA A 133 -2.081 -6.981 -11.315 1.00 0.00 C ATOM 2061 C ALA A 133 -2.679 -8.349 -11.651 1.00 0.00 C ATOM 2062 O ALA A 133 -2.517 -9.305 -10.893 1.00 0.00 O ATOM 2063 CB ALA A 133 -3.134 -5.994 -10.809 1.00 0.00 C ATOM 0 H ALA A 133 -1.733 -5.495 -12.749 1.00 0.00 H new ATOM 0 HA ALA A 133 -1.357 -7.125 -10.513 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -3.619 -6.402 -9.922 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -2.655 -5.048 -10.557 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -3.880 -5.827 -11.586 1.00 0.00 H new ATOM 2069 N LEU A 134 -3.357 -8.400 -12.788 1.00 0.00 N ATOM 2070 CA LEU A 134 -3.979 -9.635 -13.234 1.00 0.00 C ATOM 2071 C LEU A 134 -2.893 -10.622 -13.669 1.00 0.00 C ATOM 2072 O LEU A 134 -2.857 -11.758 -13.198 1.00 0.00 O ATOM 2073 CB LEU A 134 -5.019 -9.350 -14.318 1.00 0.00 C ATOM 2074 CG LEU A 134 -6.137 -8.376 -13.936 1.00 0.00 C ATOM 2075 CD1 LEU A 134 -7.172 -8.262 -15.058 1.00 0.00 C ATOM 2076 CD2 LEU A 134 -6.776 -8.771 -12.605 1.00 0.00 C ATOM 0 H LEU A 134 -3.489 -7.606 -13.414 1.00 0.00 H new ATOM 0 HA LEU A 134 -4.525 -10.103 -12.415 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -4.503 -8.955 -15.193 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -5.473 -10.295 -14.615 1.00 0.00 H new ATOM 0 HG LEU A 134 -5.698 -7.387 -13.801 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -7.955 -7.564 -14.761 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -6.687 -7.899 -15.965 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -7.612 -9.241 -15.248 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -7.567 -8.063 -12.357 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -7.198 -9.773 -12.687 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -6.019 -8.759 -11.820 1.00 0.00 H new