USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 856 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 33 TYR OH : rot 180:sc= -0.508 USER MOD Set 1.2: A 67 LYS NZ :NH3+ -127:sc= 0.363 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -170:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.2) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.813 USER MOD Single : A 26 LYS NZ :NH3+ -164:sc= 0.871 (180deg=0.448) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 14:sc= -0.104 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.0924 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0214) USER MOD Single : A 71 THR OG1 : rot -46:sc= 0.322 USER MOD Single : A 73 ASN : amide:sc= -0.521 K(o=-0.52,f=-0.019) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot -56:sc= -6.2! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 15:sc= -0.91 USER MOD Single : A 93 LYS NZ :NH3+ -146:sc= 0.195 (180deg=0.00329) USER MOD Single : A 95 GLN : amide:sc= -2.28 K(o=-2.3,f=-0.96) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0605 USER MOD Single : A 99 TYR OH : rot -30:sc= -1.69 USER MOD Single : A 100 SER OG : rot 180:sc= 0.00542 USER MOD Single : A 102 SER OG : rot 154:sc= 0.0348 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -4.98 K(o=-5,f=-8.9!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 134:sc= 0.384 USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 9 -2.623 9.350 3.895 1.00 0.00 N ATOM 98 CA VAL A 9 -1.264 8.952 4.241 1.00 0.00 C ATOM 99 C VAL A 9 -1.231 8.211 5.574 1.00 0.00 C ATOM 100 O VAL A 9 -1.723 8.710 6.586 1.00 0.00 O ATOM 101 CB VAL A 9 -0.320 10.167 4.317 1.00 0.00 C ATOM 102 CG1 VAL A 9 1.120 9.717 4.518 1.00 0.00 C ATOM 103 CG2 VAL A 9 -0.450 11.025 3.066 1.00 0.00 C ATOM 0 HA VAL A 9 -0.920 8.287 3.449 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.608 10.773 5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.770 10.590 4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.198 9.152 5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.424 9.086 3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.224 11.878 3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.191 10.431 2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.476 11.381 2.974 1.00 0.00 H new ATOM 113 N THR A 10 -0.648 7.016 5.566 1.00 0.00 N ATOM 114 CA THR A 10 -0.551 6.205 6.774 1.00 0.00 C ATOM 115 C THR A 10 0.860 5.651 6.947 1.00 0.00 C ATOM 116 O THR A 10 1.504 5.250 5.977 1.00 0.00 O ATOM 117 CB THR A 10 -1.560 5.057 6.725 1.00 0.00 C ATOM 118 OG1 THR A 10 -2.784 5.489 6.157 1.00 0.00 O ATOM 119 CG2 THR A 10 -1.866 4.471 8.086 1.00 0.00 C ATOM 0 H THR A 10 -0.236 6.588 4.737 1.00 0.00 H new ATOM 0 HA THR A 10 -0.778 6.843 7.628 1.00 0.00 H new ATOM 0 HB THR A 10 -1.091 4.286 6.113 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.464 4.793 6.277 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.588 3.662 7.980 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.949 4.083 8.530 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.281 5.246 8.731 1.00 0.00 H new ATOM 127 N VAL A 11 1.332 5.632 8.190 1.00 0.00 N ATOM 128 CA VAL A 11 2.666 5.129 8.495 1.00 0.00 C ATOM 129 C VAL A 11 2.650 3.616 8.697 1.00 0.00 C ATOM 130 O VAL A 11 1.697 3.063 9.247 1.00 0.00 O ATOM 131 CB VAL A 11 3.246 5.802 9.755 1.00 0.00 C ATOM 132 CG1 VAL A 11 2.374 5.514 10.968 1.00 0.00 C ATOM 133 CG2 VAL A 11 4.678 5.347 9.996 1.00 0.00 C ATOM 0 H VAL A 11 0.809 5.960 9.002 1.00 0.00 H new ATOM 0 HA VAL A 11 3.299 5.371 7.641 1.00 0.00 H new ATOM 0 HB VAL A 11 3.256 6.880 9.594 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.801 5.998 11.846 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.369 5.899 10.794 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.326 4.438 11.134 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.069 5.833 10.890 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.698 4.266 10.133 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.294 5.615 9.138 1.00 0.00 H new ATOM 143 N VAL A 12 3.710 2.953 8.246 1.00 0.00 N ATOM 144 CA VAL A 12 3.819 1.505 8.375 1.00 0.00 C ATOM 145 C VAL A 12 5.231 1.092 8.777 1.00 0.00 C ATOM 146 O VAL A 12 6.121 0.988 7.933 1.00 0.00 O ATOM 147 CB VAL A 12 3.449 0.797 7.058 1.00 0.00 C ATOM 148 CG1 VAL A 12 3.340 -0.704 7.273 1.00 0.00 C ATOM 149 CG2 VAL A 12 2.151 1.358 6.495 1.00 0.00 C ATOM 0 H VAL A 12 4.506 3.396 7.788 1.00 0.00 H new ATOM 0 HA VAL A 12 3.119 1.204 9.154 1.00 0.00 H new ATOM 0 HB VAL A 12 4.241 0.981 6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.078 -1.188 6.332 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.296 -1.091 7.627 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.568 -0.910 8.015 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.906 0.845 5.565 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.347 1.207 7.215 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.269 2.424 6.301 1.00 0.00 H new ATOM 159 N VAL A 13 5.431 0.854 10.070 1.00 0.00 N ATOM 160 CA VAL A 13 6.736 0.448 10.578 1.00 0.00 C ATOM 161 C VAL A 13 6.742 -1.037 10.935 1.00 0.00 C ATOM 162 O VAL A 13 5.689 -1.648 11.099 1.00 0.00 O ATOM 163 CB VAL A 13 7.147 1.281 11.811 1.00 0.00 C ATOM 164 CG1 VAL A 13 6.165 1.080 12.953 1.00 0.00 C ATOM 165 CG2 VAL A 13 8.563 0.934 12.248 1.00 0.00 C ATOM 0 H VAL A 13 4.707 0.935 10.784 1.00 0.00 H new ATOM 0 HA VAL A 13 7.461 0.627 9.784 1.00 0.00 H new ATOM 0 HB VAL A 13 7.126 2.334 11.530 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.476 1.677 13.810 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.170 1.391 12.636 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.144 0.027 13.233 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.832 1.533 13.118 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.616 -0.124 12.505 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.257 1.145 11.434 1.00 0.00 H new ATOM 175 N ALA A 14 7.935 -1.613 11.042 1.00 0.00 N ATOM 176 CA ALA A 14 8.085 -3.030 11.365 1.00 0.00 C ATOM 177 C ALA A 14 7.176 -3.464 12.517 1.00 0.00 C ATOM 178 O ALA A 14 6.662 -4.582 12.523 1.00 0.00 O ATOM 179 CB ALA A 14 9.536 -3.335 11.705 1.00 0.00 C ATOM 0 H ALA A 14 8.817 -1.118 10.909 1.00 0.00 H new ATOM 0 HA ALA A 14 7.785 -3.597 10.484 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.639 -4.393 11.945 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.168 -3.093 10.851 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.842 -2.737 12.564 1.00 0.00 H new ATOM 185 N LYS A 15 6.995 -2.583 13.495 1.00 0.00 N ATOM 186 CA LYS A 15 6.163 -2.890 14.658 1.00 0.00 C ATOM 187 C LYS A 15 4.686 -2.572 14.415 1.00 0.00 C ATOM 188 O LYS A 15 3.836 -2.891 15.247 1.00 0.00 O ATOM 189 CB LYS A 15 6.663 -2.119 15.880 1.00 0.00 C ATOM 190 CG LYS A 15 6.895 -0.640 15.615 1.00 0.00 C ATOM 191 CD LYS A 15 7.056 0.139 16.910 1.00 0.00 C ATOM 192 CE LYS A 15 8.121 1.216 16.783 1.00 0.00 C ATOM 193 NZ LYS A 15 8.567 1.714 18.114 1.00 0.00 N ATOM 0 H LYS A 15 7.411 -1.652 13.508 1.00 0.00 H new ATOM 0 HA LYS A 15 6.244 -3.962 14.838 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.939 -2.225 16.687 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.594 -2.568 16.226 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.787 -0.515 15.001 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.057 -0.235 15.047 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.105 0.597 17.181 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.322 -0.544 17.716 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.977 0.818 16.239 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.729 2.047 16.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.293 2.447 17.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.755 2.117 18.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.965 0.926 18.664 1.00 0.00 H new ATOM 207 N ASN A 16 4.381 -1.937 13.288 1.00 0.00 N ATOM 208 CA ASN A 16 3.001 -1.578 12.969 1.00 0.00 C ATOM 209 C ASN A 16 2.473 -2.379 11.784 1.00 0.00 C ATOM 210 O ASN A 16 1.357 -2.898 11.823 1.00 0.00 O ATOM 211 CB ASN A 16 2.904 -0.083 12.663 1.00 0.00 C ATOM 212 CG ASN A 16 1.691 0.562 13.305 1.00 0.00 C ATOM 213 OD1 ASN A 16 1.794 1.202 14.351 1.00 0.00 O ATOM 214 ND2 ASN A 16 0.532 0.396 12.678 1.00 0.00 N ATOM 0 H ASN A 16 5.065 -1.661 12.583 1.00 0.00 H new ATOM 0 HA ASN A 16 2.388 -1.815 13.839 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.807 0.416 13.015 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.860 0.062 11.584 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.319 0.807 13.062 1.00 0.00 H new ATOM 0 HD22 ASN A 16 0.493 -0.143 11.813 1.00 0.00 H new ATOM 221 N TYR A 17 3.276 -2.466 10.729 1.00 0.00 N ATOM 222 CA TYR A 17 2.890 -3.192 9.522 1.00 0.00 C ATOM 223 C TYR A 17 2.259 -4.543 9.856 1.00 0.00 C ATOM 224 O TYR A 17 1.209 -4.888 9.333 1.00 0.00 O ATOM 225 CB TYR A 17 4.107 -3.380 8.605 1.00 0.00 C ATOM 226 CG TYR A 17 4.650 -4.794 8.571 1.00 0.00 C ATOM 227 CD1 TYR A 17 4.086 -5.752 7.739 1.00 0.00 C ATOM 228 CD2 TYR A 17 5.718 -5.169 9.375 1.00 0.00 C ATOM 229 CE1 TYR A 17 4.572 -7.044 7.706 1.00 0.00 C ATOM 230 CE2 TYR A 17 6.212 -6.460 9.347 1.00 0.00 C ATOM 231 CZ TYR A 17 5.636 -7.393 8.511 1.00 0.00 C ATOM 232 OH TYR A 17 6.124 -8.679 8.482 1.00 0.00 O ATOM 0 H TYR A 17 4.202 -2.041 10.684 1.00 0.00 H new ATOM 0 HA TYR A 17 2.139 -2.598 9.000 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.833 -3.084 7.592 1.00 0.00 H new ATOM 0 HB3 TYR A 17 4.900 -2.707 8.931 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.253 -5.482 7.107 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.170 -4.441 10.032 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.121 -7.777 7.053 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.045 -6.736 9.977 1.00 0.00 H new ATOM 0 HH TYR A 17 6.874 -8.758 9.107 1.00 0.00 H new ATOM 242 N ASN A 18 2.914 -5.306 10.721 1.00 0.00 N ATOM 243 CA ASN A 18 2.415 -6.623 11.110 1.00 0.00 C ATOM 244 C ASN A 18 0.955 -6.562 11.565 1.00 0.00 C ATOM 245 O ASN A 18 0.189 -7.502 11.351 1.00 0.00 O ATOM 246 CB ASN A 18 3.294 -7.214 12.220 1.00 0.00 C ATOM 247 CG ASN A 18 2.996 -6.631 13.591 1.00 0.00 C ATOM 248 OD1 ASN A 18 2.698 -7.363 14.535 1.00 0.00 O ATOM 249 ND2 ASN A 18 3.074 -5.310 13.709 1.00 0.00 N ATOM 0 H ASN A 18 3.791 -5.038 11.167 1.00 0.00 H new ATOM 0 HA ASN A 18 2.461 -7.269 10.233 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.151 -8.294 12.252 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.342 -7.039 11.977 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.883 -4.866 14.607 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.324 -4.740 12.901 1.00 0.00 H new ATOM 256 N GLU A 19 0.581 -5.459 12.204 1.00 0.00 N ATOM 257 CA GLU A 19 -0.781 -5.288 12.704 1.00 0.00 C ATOM 258 C GLU A 19 -1.771 -4.983 11.580 1.00 0.00 C ATOM 259 O GLU A 19 -2.741 -5.713 11.384 1.00 0.00 O ATOM 260 CB GLU A 19 -0.822 -4.168 13.745 1.00 0.00 C ATOM 261 CG GLU A 19 -1.781 -4.440 14.893 1.00 0.00 C ATOM 262 CD GLU A 19 -2.736 -3.289 15.142 1.00 0.00 C ATOM 263 OE1 GLU A 19 -2.392 -2.395 15.945 1.00 0.00 O ATOM 264 OE2 GLU A 19 -3.828 -3.281 14.536 1.00 0.00 O ATOM 0 H GLU A 19 1.200 -4.670 12.389 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.079 -6.230 13.163 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.180 -4.020 14.147 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.109 -3.238 13.255 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.354 -5.342 14.677 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.209 -4.635 15.800 1.00 0.00 H new ATOM 271 N ILE A 20 -1.533 -3.893 10.859 1.00 0.00 N ATOM 272 CA ILE A 20 -2.418 -3.483 9.771 1.00 0.00 C ATOM 273 C ILE A 20 -2.597 -4.585 8.727 1.00 0.00 C ATOM 274 O ILE A 20 -3.716 -4.880 8.307 1.00 0.00 O ATOM 275 CB ILE A 20 -1.897 -2.207 9.078 1.00 0.00 C ATOM 276 CG1 ILE A 20 -0.467 -2.416 8.567 1.00 0.00 C ATOM 277 CG2 ILE A 20 -1.957 -1.027 10.038 1.00 0.00 C ATOM 278 CD1 ILE A 20 0.167 -1.161 8.005 1.00 0.00 C ATOM 0 H ILE A 20 -0.734 -3.276 11.007 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.387 -3.278 10.226 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.535 -1.991 8.221 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.150 -2.790 9.384 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.475 -3.186 7.795 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.587 -0.132 9.538 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.988 -0.866 10.353 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.339 -1.237 10.911 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.177 -1.386 7.663 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.427 -0.797 7.167 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.208 -0.396 8.780 1.00 0.00 H new ATOM 290 N VAL A 21 -1.490 -5.181 8.307 1.00 0.00 N ATOM 291 CA VAL A 21 -1.511 -6.242 7.306 1.00 0.00 C ATOM 292 C VAL A 21 -2.272 -7.470 7.801 1.00 0.00 C ATOM 293 O VAL A 21 -2.996 -8.109 7.038 1.00 0.00 O ATOM 294 CB VAL A 21 -0.079 -6.657 6.908 1.00 0.00 C ATOM 295 CG1 VAL A 21 0.686 -5.463 6.355 1.00 0.00 C ATOM 296 CG2 VAL A 21 0.657 -7.266 8.093 1.00 0.00 C ATOM 0 H VAL A 21 -0.557 -4.946 8.647 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.026 -5.841 6.433 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.146 -7.415 6.127 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.694 -5.773 6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.171 -5.077 5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.741 -4.683 7.114 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.664 -7.551 7.788 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.715 -6.535 8.900 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.120 -8.148 8.440 1.00 0.00 H new ATOM 306 N LEU A 22 -2.103 -7.797 9.078 1.00 0.00 N ATOM 307 CA LEU A 22 -2.775 -8.952 9.663 1.00 0.00 C ATOM 308 C LEU A 22 -4.244 -8.651 9.968 1.00 0.00 C ATOM 309 O LEU A 22 -5.009 -9.551 10.314 1.00 0.00 O ATOM 310 CB LEU A 22 -2.054 -9.391 10.939 1.00 0.00 C ATOM 311 CG LEU A 22 -0.675 -10.017 10.720 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.065 -10.152 12.042 1.00 0.00 C ATOM 313 CD2 LEU A 22 -0.807 -11.372 10.041 1.00 0.00 C ATOM 0 H LEU A 22 -1.508 -7.280 9.726 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.743 -9.761 8.934 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.944 -8.525 11.592 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.683 -10.109 11.465 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.098 -9.361 10.069 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.044 -10.599 11.867 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.191 -9.167 12.491 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.509 -10.787 12.717 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.183 -11.803 9.893 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.402 -12.037 10.668 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.297 -11.249 9.075 1.00 0.00 H new ATOM 325 N ASP A 23 -4.633 -7.384 9.842 1.00 0.00 N ATOM 326 CA ASP A 23 -6.008 -6.977 10.108 1.00 0.00 C ATOM 327 C ASP A 23 -6.945 -7.456 9.003 1.00 0.00 C ATOM 328 O ASP A 23 -6.958 -6.903 7.903 1.00 0.00 O ATOM 329 CB ASP A 23 -6.094 -5.455 10.241 1.00 0.00 C ATOM 330 CG ASP A 23 -6.999 -5.022 11.378 1.00 0.00 C ATOM 331 OD1 ASP A 23 -7.787 -5.861 11.863 1.00 0.00 O ATOM 332 OD2 ASP A 23 -6.920 -3.843 11.784 1.00 0.00 O ATOM 0 H ASP A 23 -4.015 -6.624 9.558 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.320 -7.437 11.046 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.095 -5.051 10.402 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.462 -5.032 9.306 1.00 0.00 H new ATOM 337 N ASP A 24 -7.728 -8.487 9.304 1.00 0.00 N ATOM 338 CA ASP A 24 -8.670 -9.041 8.338 1.00 0.00 C ATOM 339 C ASP A 24 -9.937 -8.193 8.246 1.00 0.00 C ATOM 340 O ASP A 24 -10.717 -8.330 7.304 1.00 0.00 O ATOM 341 CB ASP A 24 -9.034 -10.477 8.718 1.00 0.00 C ATOM 342 CG ASP A 24 -9.711 -10.563 10.072 1.00 0.00 C ATOM 343 OD1 ASP A 24 -10.948 -10.399 10.129 1.00 0.00 O ATOM 344 OD2 ASP A 24 -9.004 -10.794 11.075 1.00 0.00 O ATOM 0 H ASP A 24 -7.729 -8.956 10.210 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.186 -9.037 7.361 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.694 -10.895 7.958 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.131 -11.088 8.727 1.00 0.00 H new ATOM 349 N THR A 25 -10.143 -7.320 9.230 1.00 0.00 N ATOM 350 CA THR A 25 -11.320 -6.459 9.252 1.00 0.00 C ATOM 351 C THR A 25 -11.260 -5.419 8.137 1.00 0.00 C ATOM 352 O THR A 25 -12.293 -4.983 7.627 1.00 0.00 O ATOM 353 CB THR A 25 -11.442 -5.762 10.608 1.00 0.00 C ATOM 354 OG1 THR A 25 -10.163 -5.536 11.172 1.00 0.00 O ATOM 355 CG2 THR A 25 -12.255 -6.548 11.613 1.00 0.00 C ATOM 0 H THR A 25 -9.511 -7.191 10.020 1.00 0.00 H new ATOM 0 HA THR A 25 -12.198 -7.085 9.091 1.00 0.00 H new ATOM 0 HB THR A 25 -11.955 -4.822 10.405 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.262 -5.089 12.038 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.302 -5.998 12.553 1.00 0.00 H new ATOM 0 HG22 THR A 25 -13.264 -6.697 11.228 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.785 -7.517 11.783 1.00 0.00 H new ATOM 363 N LYS A 26 -10.048 -5.024 7.763 1.00 0.00 N ATOM 364 CA LYS A 26 -9.860 -4.033 6.709 1.00 0.00 C ATOM 365 C LYS A 26 -8.650 -4.374 5.845 1.00 0.00 C ATOM 366 O LYS A 26 -7.691 -4.985 6.316 1.00 0.00 O ATOM 367 CB LYS A 26 -9.689 -2.640 7.318 1.00 0.00 C ATOM 368 CG LYS A 26 -9.751 -1.516 6.297 1.00 0.00 C ATOM 369 CD LYS A 26 -9.023 -0.276 6.790 1.00 0.00 C ATOM 370 CE LYS A 26 -9.511 0.976 6.079 1.00 0.00 C ATOM 371 NZ LYS A 26 -9.288 2.201 6.895 1.00 0.00 N ATOM 0 H LYS A 26 -9.182 -5.374 8.173 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.747 -4.042 6.076 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.465 -2.482 8.067 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.732 -2.595 7.837 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.308 -1.850 5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.792 -1.269 6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.173 -0.168 7.864 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.951 -0.393 6.628 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.994 1.076 5.125 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.573 0.876 5.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.863 2.980 6.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.563 2.016 7.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.282 2.463 6.860 1.00 0.00 H new ATOM 385 N ASP A 27 -8.702 -3.971 4.579 1.00 0.00 N ATOM 386 CA ASP A 27 -7.610 -4.230 3.648 1.00 0.00 C ATOM 387 C ASP A 27 -6.521 -3.170 3.783 1.00 0.00 C ATOM 388 O ASP A 27 -6.809 -2.002 4.042 1.00 0.00 O ATOM 389 CB ASP A 27 -8.134 -4.260 2.211 1.00 0.00 C ATOM 390 CG ASP A 27 -7.187 -4.972 1.264 1.00 0.00 C ATOM 391 OD1 ASP A 27 -5.959 -4.871 1.465 1.00 0.00 O ATOM 392 OD2 ASP A 27 -7.675 -5.630 0.321 1.00 0.00 O ATOM 0 H ASP A 27 -9.489 -3.464 4.175 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.180 -5.202 3.890 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.104 -4.756 2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.291 -3.239 1.863 1.00 0.00 H new ATOM 397 N VAL A 28 -5.270 -3.585 3.608 1.00 0.00 N ATOM 398 CA VAL A 28 -4.142 -2.668 3.714 1.00 0.00 C ATOM 399 C VAL A 28 -3.167 -2.855 2.557 1.00 0.00 C ATOM 400 O VAL A 28 -2.924 -3.977 2.110 1.00 0.00 O ATOM 401 CB VAL A 28 -3.387 -2.857 5.044 1.00 0.00 C ATOM 402 CG1 VAL A 28 -2.396 -1.725 5.264 1.00 0.00 C ATOM 403 CG2 VAL A 28 -4.367 -2.952 6.204 1.00 0.00 C ATOM 0 H VAL A 28 -5.013 -4.548 3.393 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.552 -1.659 3.678 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.827 -3.791 4.993 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.873 -1.877 6.208 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.674 -1.710 4.448 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.930 -0.775 5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.817 -3.085 7.135 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.956 -2.037 6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.031 -3.802 6.050 1.00 0.00 H new ATOM 413 N LEU A 29 -2.610 -1.748 2.075 1.00 0.00 N ATOM 414 CA LEU A 29 -1.660 -1.786 0.969 1.00 0.00 C ATOM 415 C LEU A 29 -0.363 -1.077 1.347 1.00 0.00 C ATOM 416 O LEU A 29 -0.302 0.152 1.377 1.00 0.00 O ATOM 417 CB LEU A 29 -2.265 -1.133 -0.277 1.00 0.00 C ATOM 418 CG LEU A 29 -3.782 -1.281 -0.418 1.00 0.00 C ATOM 419 CD1 LEU A 29 -4.309 -0.361 -1.509 1.00 0.00 C ATOM 420 CD2 LEU A 29 -4.151 -2.727 -0.712 1.00 0.00 C ATOM 0 H LEU A 29 -2.801 -0.812 2.434 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.436 -2.830 0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.019 -0.071 -0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.790 -1.562 -1.159 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.246 -0.994 0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.389 -0.480 -1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.077 0.674 -1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.839 -0.617 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.233 -2.814 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.677 -3.042 -1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.808 -3.363 0.104 1.00 0.00 H new ATOM 432 N ILE A 30 0.672 -1.859 1.637 1.00 0.00 N ATOM 433 CA ILE A 30 1.967 -1.303 2.015 1.00 0.00 C ATOM 434 C ILE A 30 2.939 -1.322 0.839 1.00 0.00 C ATOM 435 O ILE A 30 3.297 -2.386 0.337 1.00 0.00 O ATOM 436 CB ILE A 30 2.586 -2.078 3.196 1.00 0.00 C ATOM 437 CG1 ILE A 30 3.899 -1.423 3.636 1.00 0.00 C ATOM 438 CG2 ILE A 30 2.813 -3.536 2.818 1.00 0.00 C ATOM 439 CD1 ILE A 30 4.597 -2.160 4.759 1.00 0.00 C ATOM 0 H ILE A 30 0.640 -2.878 1.618 1.00 0.00 H new ATOM 0 HA ILE A 30 1.793 -0.271 2.319 1.00 0.00 H new ATOM 0 HB ILE A 30 1.889 -2.047 4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.570 -1.363 2.779 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.696 -0.400 3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.250 -4.067 3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.861 -3.996 2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.491 -3.590 1.966 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.519 -1.639 5.018 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.944 -2.197 5.631 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.831 -3.175 4.438 1.00 0.00 H new ATOM 451 N GLU A 31 3.362 -0.139 0.405 1.00 0.00 N ATOM 452 CA GLU A 31 4.293 -0.026 -0.713 1.00 0.00 C ATOM 453 C GLU A 31 5.687 0.363 -0.231 1.00 0.00 C ATOM 454 O GLU A 31 5.851 1.319 0.526 1.00 0.00 O ATOM 455 CB GLU A 31 3.785 1.001 -1.727 1.00 0.00 C ATOM 456 CG GLU A 31 4.458 0.896 -3.087 1.00 0.00 C ATOM 457 CD GLU A 31 3.496 0.494 -4.188 1.00 0.00 C ATOM 458 OE1 GLU A 31 2.407 -0.025 -3.866 1.00 0.00 O ATOM 459 OE2 GLU A 31 3.833 0.698 -5.374 1.00 0.00 O ATOM 0 H GLU A 31 3.076 0.753 0.809 1.00 0.00 H new ATOM 0 HA GLU A 31 4.358 -1.002 -1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.710 0.875 -1.852 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.944 2.003 -1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.911 1.855 -3.338 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.266 0.167 -3.032 1.00 0.00 H new ATOM 466 N PHE A 32 6.689 -0.387 -0.680 1.00 0.00 N ATOM 467 CA PHE A 32 8.074 -0.127 -0.304 1.00 0.00 C ATOM 468 C PHE A 32 8.804 0.626 -1.412 1.00 0.00 C ATOM 469 O PHE A 32 8.911 0.141 -2.539 1.00 0.00 O ATOM 470 CB PHE A 32 8.798 -1.441 -0.004 1.00 0.00 C ATOM 471 CG PHE A 32 8.555 -1.957 1.385 1.00 0.00 C ATOM 472 CD1 PHE A 32 9.056 -1.282 2.486 1.00 0.00 C ATOM 473 CD2 PHE A 32 7.826 -3.118 1.590 1.00 0.00 C ATOM 474 CE1 PHE A 32 8.835 -1.754 3.766 1.00 0.00 C ATOM 475 CE2 PHE A 32 7.601 -3.595 2.867 1.00 0.00 C ATOM 476 CZ PHE A 32 8.106 -2.912 3.957 1.00 0.00 C ATOM 0 H PHE A 32 6.566 -1.182 -1.307 1.00 0.00 H new ATOM 0 HA PHE A 32 8.072 0.492 0.593 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.479 -2.195 -0.724 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.869 -1.297 -0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.626 -0.376 2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.429 -3.656 0.742 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.232 -1.218 4.616 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.031 -4.501 3.013 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.931 -3.283 4.956 1.00 0.00 H new ATOM 486 N TYR A 33 9.302 1.814 -1.085 1.00 0.00 N ATOM 487 CA TYR A 33 10.020 2.635 -2.054 1.00 0.00 C ATOM 488 C TYR A 33 11.187 3.365 -1.394 1.00 0.00 C ATOM 489 O TYR A 33 11.384 3.274 -0.183 1.00 0.00 O ATOM 490 CB TYR A 33 9.070 3.648 -2.695 1.00 0.00 C ATOM 491 CG TYR A 33 8.507 4.652 -1.715 1.00 0.00 C ATOM 492 CD1 TYR A 33 7.468 4.309 -0.860 1.00 0.00 C ATOM 493 CD2 TYR A 33 9.016 5.943 -1.644 1.00 0.00 C ATOM 494 CE1 TYR A 33 6.952 5.223 0.038 1.00 0.00 C ATOM 495 CE2 TYR A 33 8.506 6.863 -0.749 1.00 0.00 C ATOM 496 CZ TYR A 33 7.474 6.498 0.090 1.00 0.00 C ATOM 497 OH TYR A 33 6.962 7.412 0.983 1.00 0.00 O ATOM 0 H TYR A 33 9.222 2.230 -0.157 1.00 0.00 H new ATOM 0 HA TYR A 33 10.418 1.976 -2.826 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.599 4.181 -3.485 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.247 3.113 -3.168 1.00 0.00 H new ATOM 0 HD1 TYR A 33 7.057 3.311 -0.898 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.824 6.232 -2.300 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.144 4.940 0.696 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.913 7.862 -0.706 1.00 0.00 H new ATOM 0 HH TYR A 33 7.441 8.262 0.892 1.00 0.00 H new ATOM 507 N ALA A 34 11.956 4.089 -2.201 1.00 0.00 N ATOM 508 CA ALA A 34 13.102 4.837 -1.698 1.00 0.00 C ATOM 509 C ALA A 34 13.262 6.162 -2.440 1.00 0.00 C ATOM 510 O ALA A 34 12.936 6.263 -3.623 1.00 0.00 O ATOM 511 CB ALA A 34 14.370 4.004 -1.820 1.00 0.00 C ATOM 0 H ALA A 34 11.806 4.173 -3.206 1.00 0.00 H new ATOM 0 HA ALA A 34 12.927 5.060 -0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.218 4.574 -1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 34 14.261 3.088 -1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.541 3.752 -2.867 1.00 0.00 H new ATOM 517 N PRO A 35 13.770 7.201 -1.753 1.00 0.00 N ATOM 518 CA PRO A 35 13.971 8.523 -2.356 1.00 0.00 C ATOM 519 C PRO A 35 15.126 8.536 -3.352 1.00 0.00 C ATOM 520 O PRO A 35 15.008 9.084 -4.448 1.00 0.00 O ATOM 521 CB PRO A 35 14.290 9.414 -1.155 1.00 0.00 C ATOM 522 CG PRO A 35 14.877 8.491 -0.145 1.00 0.00 C ATOM 523 CD PRO A 35 14.186 7.169 -0.338 1.00 0.00 C ATOM 0 HA PRO A 35 13.101 8.848 -2.926 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.991 10.205 -1.423 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.392 9.900 -0.773 1.00 0.00 H new ATOM 0 HG2 PRO A 35 15.953 8.393 -0.286 1.00 0.00 H new ATOM 0 HG3 PRO A 35 14.721 8.869 0.866 1.00 0.00 H new ATOM 0 HD2 PRO A 35 14.855 6.333 -0.135 1.00 0.00 H new ATOM 0 HD3 PRO A 35 13.331 7.062 0.329 1.00 0.00 H new ATOM 531 N TRP A 36 16.242 7.927 -2.964 1.00 0.00 N ATOM 532 CA TRP A 36 17.420 7.866 -3.823 1.00 0.00 C ATOM 533 C TRP A 36 17.264 6.797 -4.905 1.00 0.00 C ATOM 534 O TRP A 36 18.133 6.642 -5.764 1.00 0.00 O ATOM 535 CB TRP A 36 18.669 7.579 -2.988 1.00 0.00 C ATOM 536 CG TRP A 36 18.596 6.286 -2.235 1.00 0.00 C ATOM 537 CD1 TRP A 36 18.476 5.034 -2.766 1.00 0.00 C ATOM 538 CD2 TRP A 36 18.635 6.118 -0.814 1.00 0.00 C ATOM 539 NE1 TRP A 36 18.440 4.097 -1.762 1.00 0.00 N ATOM 540 CE2 TRP A 36 18.536 4.737 -0.554 1.00 0.00 C ATOM 541 CE3 TRP A 36 18.747 6.999 0.265 1.00 0.00 C ATOM 542 CZ2 TRP A 36 18.544 4.220 0.739 1.00 0.00 C ATOM 543 CZ3 TRP A 36 18.755 6.485 1.548 1.00 0.00 C ATOM 544 CH2 TRP A 36 18.655 5.106 1.775 1.00 0.00 C ATOM 0 H TRP A 36 16.356 7.468 -2.060 1.00 0.00 H new ATOM 0 HA TRP A 36 17.526 8.834 -4.312 1.00 0.00 H new ATOM 0 HB2 TRP A 36 19.539 7.560 -3.644 1.00 0.00 H new ATOM 0 HB3 TRP A 36 18.820 8.395 -2.281 1.00 0.00 H new ATOM 0 HD1 TRP A 36 18.418 4.813 -3.821 1.00 0.00 H new ATOM 0 HE1 TRP A 36 18.356 3.089 -1.894 1.00 0.00 H new ATOM 0 HE3 TRP A 36 18.826 8.063 0.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 18.465 3.158 0.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 18.840 7.157 2.389 1.00 0.00 H new ATOM 0 HH2 TRP A 36 18.666 4.735 2.789 1.00 0.00 H new ATOM 555 N CYS A 37 16.156 6.059 -4.861 1.00 0.00 N ATOM 556 CA CYS A 37 15.892 5.006 -5.836 1.00 0.00 C ATOM 557 C CYS A 37 16.074 5.514 -7.265 1.00 0.00 C ATOM 558 O CYS A 37 16.696 4.852 -8.095 1.00 0.00 O ATOM 559 CB CYS A 37 14.468 4.466 -5.655 1.00 0.00 C ATOM 560 SG CYS A 37 13.921 3.331 -6.976 1.00 0.00 S ATOM 0 H CYS A 37 15.426 6.173 -4.158 1.00 0.00 H new ATOM 0 HA CYS A 37 16.610 4.204 -5.665 1.00 0.00 H new ATOM 0 HB2 CYS A 37 14.408 3.947 -4.698 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.777 5.307 -5.606 1.00 0.00 H new ATOM 565 N GLY A 38 15.509 6.683 -7.548 1.00 0.00 N ATOM 566 CA GLY A 38 15.602 7.247 -8.881 1.00 0.00 C ATOM 567 C GLY A 38 14.380 6.913 -9.711 1.00 0.00 C ATOM 568 O GLY A 38 13.866 7.754 -10.448 1.00 0.00 O ATOM 0 H GLY A 38 14.989 7.249 -6.878 1.00 0.00 H new ATOM 0 HA2 GLY A 38 15.712 8.329 -8.813 1.00 0.00 H new ATOM 0 HA3 GLY A 38 16.495 6.867 -9.377 1.00 0.00 H new ATOM 572 N HIS A 39 13.908 5.677 -9.574 1.00 0.00 N ATOM 573 CA HIS A 39 12.728 5.215 -10.294 1.00 0.00 C ATOM 574 C HIS A 39 11.545 5.047 -9.340 1.00 0.00 C ATOM 575 O HIS A 39 10.437 4.719 -9.764 1.00 0.00 O ATOM 576 CB HIS A 39 13.022 3.887 -10.994 1.00 0.00 C ATOM 577 CG HIS A 39 12.250 3.695 -12.263 1.00 0.00 C ATOM 578 ND1 HIS A 39 12.570 4.335 -13.443 1.00 0.00 N ATOM 579 CD2 HIS A 39 11.167 2.928 -12.535 1.00 0.00 C ATOM 580 CE1 HIS A 39 11.717 3.970 -14.384 1.00 0.00 C ATOM 581 NE2 HIS A 39 10.857 3.117 -13.859 1.00 0.00 N ATOM 0 H HIS A 39 14.329 4.974 -8.966 1.00 0.00 H new ATOM 0 HA HIS A 39 12.469 5.964 -11.042 1.00 0.00 H new ATOM 0 HB2 HIS A 39 14.088 3.830 -11.215 1.00 0.00 H new ATOM 0 HB3 HIS A 39 12.794 3.068 -10.312 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.645 2.287 -11.840 1.00 0.00 H new ATOM 0 HE1 HIS A 39 11.722 4.312 -15.409 1.00 0.00 H new ATOM 0 HE2 HIS A 39 10.087 2.671 -14.357 1.00 0.00 H new ATOM 590 N CYS A 40 11.789 5.275 -8.050 1.00 0.00 N ATOM 591 CA CYS A 40 10.748 5.150 -7.038 1.00 0.00 C ATOM 592 C CYS A 40 10.333 6.519 -6.507 1.00 0.00 C ATOM 593 O CYS A 40 9.252 6.671 -5.938 1.00 0.00 O ATOM 594 CB CYS A 40 11.231 4.274 -5.881 1.00 0.00 C ATOM 595 SG CYS A 40 12.065 2.739 -6.400 1.00 0.00 S ATOM 0 H CYS A 40 12.701 5.548 -7.683 1.00 0.00 H new ATOM 0 HA CYS A 40 9.882 4.682 -7.506 1.00 0.00 H new ATOM 0 HB2 CYS A 40 11.916 4.854 -5.263 1.00 0.00 H new ATOM 0 HB3 CYS A 40 10.377 4.016 -5.255 1.00 0.00 H new ATOM 600 N LYS A 41 11.197 7.516 -6.694 1.00 0.00 N ATOM 601 CA LYS A 41 10.915 8.871 -6.231 1.00 0.00 C ATOM 602 C LYS A 41 9.527 9.323 -6.678 1.00 0.00 C ATOM 603 O LYS A 41 8.886 10.141 -6.018 1.00 0.00 O ATOM 604 CB LYS A 41 11.976 9.841 -6.754 1.00 0.00 C ATOM 605 CG LYS A 41 12.340 10.937 -5.765 1.00 0.00 C ATOM 606 CD LYS A 41 13.438 11.837 -6.309 1.00 0.00 C ATOM 607 CE LYS A 41 12.869 13.121 -6.891 1.00 0.00 C ATOM 608 NZ LYS A 41 12.939 14.249 -5.921 1.00 0.00 N ATOM 0 H LYS A 41 12.097 7.409 -7.163 1.00 0.00 H new ATOM 0 HA LYS A 41 10.941 8.869 -5.141 1.00 0.00 H new ATOM 0 HB2 LYS A 41 12.875 9.280 -7.009 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.615 10.299 -7.675 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.456 11.534 -5.541 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.667 10.488 -4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 41 14.141 12.078 -5.511 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.998 11.305 -7.078 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.418 13.385 -7.795 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.832 12.958 -7.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.541 15.106 -6.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.394 14.008 -5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.931 14.421 -5.660 1.00 0.00 H new ATOM 622 N ALA A 42 9.067 8.778 -7.800 1.00 0.00 N ATOM 623 CA ALA A 42 7.754 9.116 -8.333 1.00 0.00 C ATOM 624 C ALA A 42 6.657 8.341 -7.608 1.00 0.00 C ATOM 625 O ALA A 42 5.519 8.798 -7.512 1.00 0.00 O ATOM 626 CB ALA A 42 7.703 8.835 -9.828 1.00 0.00 C ATOM 0 H ALA A 42 9.586 8.100 -8.358 1.00 0.00 H new ATOM 0 HA ALA A 42 7.582 10.180 -8.170 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.716 9.092 -10.213 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.458 9.434 -10.337 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.898 7.777 -10.006 1.00 0.00 H new ATOM 632 N LEU A 43 7.012 7.166 -7.098 1.00 0.00 N ATOM 633 CA LEU A 43 6.065 6.323 -6.378 1.00 0.00 C ATOM 634 C LEU A 43 5.521 7.045 -5.148 1.00 0.00 C ATOM 635 O LEU A 43 4.369 6.851 -4.761 1.00 0.00 O ATOM 636 CB LEU A 43 6.738 5.012 -5.961 1.00 0.00 C ATOM 637 CG LEU A 43 5.921 3.746 -6.227 1.00 0.00 C ATOM 638 CD1 LEU A 43 4.594 3.797 -5.484 1.00 0.00 C ATOM 639 CD2 LEU A 43 5.694 3.565 -7.721 1.00 0.00 C ATOM 0 H LEU A 43 7.951 6.775 -7.171 1.00 0.00 H new ATOM 0 HA LEU A 43 5.231 6.101 -7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.690 4.928 -6.486 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.965 5.062 -4.896 1.00 0.00 H new ATOM 0 HG LEU A 43 6.484 2.889 -5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.028 2.888 -5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.780 3.878 -4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.022 4.662 -5.820 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.111 2.660 -7.893 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.152 4.426 -8.114 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.655 3.480 -8.227 1.00 0.00 H new ATOM 651 N ALA A 44 6.361 7.876 -4.538 1.00 0.00 N ATOM 652 CA ALA A 44 5.969 8.626 -3.350 1.00 0.00 C ATOM 653 C ALA A 44 4.809 9.575 -3.648 1.00 0.00 C ATOM 654 O ALA A 44 3.727 9.441 -3.077 1.00 0.00 O ATOM 655 CB ALA A 44 7.158 9.399 -2.799 1.00 0.00 C ATOM 0 H ALA A 44 7.318 8.047 -4.847 1.00 0.00 H new ATOM 0 HA ALA A 44 5.631 7.912 -2.599 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.852 9.954 -1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.954 8.703 -2.534 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.522 10.095 -3.555 1.00 0.00 H new ATOM 661 N PRO A 45 5.018 10.552 -4.549 1.00 0.00 N ATOM 662 CA PRO A 45 3.981 11.523 -4.914 1.00 0.00 C ATOM 663 C PRO A 45 2.752 10.855 -5.523 1.00 0.00 C ATOM 664 O PRO A 45 1.625 11.308 -5.323 1.00 0.00 O ATOM 665 CB PRO A 45 4.667 12.426 -5.947 1.00 0.00 C ATOM 666 CG PRO A 45 5.835 11.640 -6.437 1.00 0.00 C ATOM 667 CD PRO A 45 6.274 10.790 -5.280 1.00 0.00 C ATOM 0 HA PRO A 45 3.612 12.064 -4.042 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.990 12.676 -6.764 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.986 13.367 -5.498 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.559 11.023 -7.292 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.639 12.299 -6.765 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.730 9.858 -5.614 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.011 11.301 -4.660 1.00 0.00 H new ATOM 675 N LYS A 46 2.977 9.776 -6.265 1.00 0.00 N ATOM 676 CA LYS A 46 1.885 9.048 -6.900 1.00 0.00 C ATOM 677 C LYS A 46 1.005 8.367 -5.856 1.00 0.00 C ATOM 678 O LYS A 46 -0.191 8.170 -6.072 1.00 0.00 O ATOM 679 CB LYS A 46 2.438 8.007 -7.875 1.00 0.00 C ATOM 680 CG LYS A 46 1.550 7.778 -9.087 1.00 0.00 C ATOM 681 CD LYS A 46 1.750 8.859 -10.137 1.00 0.00 C ATOM 682 CE LYS A 46 0.433 9.260 -10.782 1.00 0.00 C ATOM 683 NZ LYS A 46 0.610 9.664 -12.204 1.00 0.00 N ATOM 0 H LYS A 46 3.903 9.387 -6.441 1.00 0.00 H new ATOM 0 HA LYS A 46 1.276 9.764 -7.451 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.424 8.325 -8.212 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.571 7.062 -7.348 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.770 6.803 -9.521 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.505 7.760 -8.776 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.212 9.733 -9.678 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.437 8.501 -10.903 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.267 8.426 -10.726 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.009 10.085 -10.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.311 9.930 -12.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.258 10.476 -12.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.007 8.869 -12.744 1.00 0.00 H new ATOM 697 N TYR A 47 1.604 8.011 -4.724 1.00 0.00 N ATOM 698 CA TYR A 47 0.872 7.354 -3.647 1.00 0.00 C ATOM 699 C TYR A 47 0.059 8.365 -2.844 1.00 0.00 C ATOM 700 O TYR A 47 -0.979 8.029 -2.275 1.00 0.00 O ATOM 701 CB TYR A 47 1.838 6.605 -2.726 1.00 0.00 C ATOM 702 CG TYR A 47 1.485 5.147 -2.538 1.00 0.00 C ATOM 703 CD1 TYR A 47 1.758 4.212 -3.529 1.00 0.00 C ATOM 704 CD2 TYR A 47 0.876 4.706 -1.370 1.00 0.00 C ATOM 705 CE1 TYR A 47 1.435 2.879 -3.360 1.00 0.00 C ATOM 706 CE2 TYR A 47 0.549 3.374 -1.194 1.00 0.00 C ATOM 707 CZ TYR A 47 0.831 2.465 -2.192 1.00 0.00 C ATOM 708 OH TYR A 47 0.506 1.139 -2.021 1.00 0.00 O ATOM 0 H TYR A 47 2.593 8.166 -4.529 1.00 0.00 H new ATOM 0 HA TYR A 47 0.183 6.638 -4.094 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.846 6.677 -3.135 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.853 7.095 -1.753 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.230 4.532 -4.446 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.654 5.415 -0.586 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.655 2.165 -4.140 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.075 3.047 -0.280 1.00 0.00 H new ATOM 0 HH TYR A 47 0.960 0.600 -2.702 1.00 0.00 H new ATOM 718 N GLU A 48 0.537 9.605 -2.802 1.00 0.00 N ATOM 719 CA GLU A 48 -0.149 10.663 -2.070 1.00 0.00 C ATOM 720 C GLU A 48 -1.441 11.060 -2.776 1.00 0.00 C ATOM 721 O GLU A 48 -2.440 11.378 -2.131 1.00 0.00 O ATOM 722 CB GLU A 48 0.762 11.883 -1.921 1.00 0.00 C ATOM 723 CG GLU A 48 1.567 11.889 -0.632 1.00 0.00 C ATOM 724 CD GLU A 48 0.868 12.633 0.488 1.00 0.00 C ATOM 725 OE1 GLU A 48 -0.347 12.416 0.678 1.00 0.00 O ATOM 726 OE2 GLU A 48 1.536 13.434 1.176 1.00 0.00 O ATOM 0 H GLU A 48 1.396 9.901 -3.266 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.399 10.284 -1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.448 11.919 -2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.154 12.787 -1.964 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.754 10.861 -0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.539 12.347 -0.817 1.00 0.00 H new ATOM 733 N GLU A 49 -1.414 11.036 -4.104 1.00 0.00 N ATOM 734 CA GLU A 49 -2.583 11.391 -4.899 1.00 0.00 C ATOM 735 C GLU A 49 -3.663 10.320 -4.783 1.00 0.00 C ATOM 736 O GLU A 49 -4.802 10.610 -4.416 1.00 0.00 O ATOM 737 CB GLU A 49 -2.191 11.581 -6.366 1.00 0.00 C ATOM 738 CG GLU A 49 -2.902 12.743 -7.040 1.00 0.00 C ATOM 739 CD GLU A 49 -2.058 14.002 -7.076 1.00 0.00 C ATOM 740 OE1 GLU A 49 -0.889 13.921 -7.509 1.00 0.00 O ATOM 741 OE2 GLU A 49 -2.565 15.069 -6.672 1.00 0.00 O ATOM 0 H GLU A 49 -0.595 10.774 -4.652 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.983 12.329 -4.514 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.114 11.739 -6.428 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.411 10.665 -6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.168 12.460 -8.058 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.833 12.949 -6.513 1.00 0.00 H new ATOM 748 N LEU A 50 -3.297 9.082 -5.097 1.00 0.00 N ATOM 749 CA LEU A 50 -4.234 7.967 -5.025 1.00 0.00 C ATOM 750 C LEU A 50 -4.760 7.791 -3.602 1.00 0.00 C ATOM 751 O LEU A 50 -5.877 7.315 -3.397 1.00 0.00 O ATOM 752 CB LEU A 50 -3.559 6.676 -5.504 1.00 0.00 C ATOM 753 CG LEU A 50 -4.312 5.383 -5.177 1.00 0.00 C ATOM 754 CD1 LEU A 50 -5.635 5.333 -5.924 1.00 0.00 C ATOM 755 CD2 LEU A 50 -3.458 4.170 -5.515 1.00 0.00 C ATOM 0 H LEU A 50 -2.359 8.825 -5.404 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.079 8.187 -5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.424 6.735 -6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.565 6.620 -5.061 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.523 5.367 -4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.156 4.407 -5.679 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.250 6.184 -5.632 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.449 5.372 -6.997 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.008 3.260 -5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.216 4.180 -6.578 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.537 4.200 -4.933 1.00 0.00 H new ATOM 767 N GLY A 51 -3.948 8.177 -2.623 1.00 0.00 N ATOM 768 CA GLY A 51 -4.349 8.053 -1.234 1.00 0.00 C ATOM 769 C GLY A 51 -5.496 8.976 -0.875 1.00 0.00 C ATOM 770 O GLY A 51 -6.431 8.573 -0.183 1.00 0.00 O ATOM 0 H GLY A 51 -3.019 8.574 -2.767 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.641 7.022 -1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.496 8.273 -0.592 1.00 0.00 H new ATOM 774 N ALA A 52 -5.425 10.217 -1.344 1.00 0.00 N ATOM 775 CA ALA A 52 -6.466 11.199 -1.066 1.00 0.00 C ATOM 776 C ALA A 52 -7.723 10.914 -1.883 1.00 0.00 C ATOM 777 O ALA A 52 -8.836 11.217 -1.453 1.00 0.00 O ATOM 778 CB ALA A 52 -5.956 12.603 -1.351 1.00 0.00 C ATOM 0 H ALA A 52 -4.658 10.566 -1.918 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.727 11.126 -0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.744 13.326 -1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.092 12.812 -0.720 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.666 12.679 -2.399 1.00 0.00 H new ATOM 784 N LEU A 53 -7.537 10.329 -3.062 1.00 0.00 N ATOM 785 CA LEU A 53 -8.656 10.003 -3.938 1.00 0.00 C ATOM 786 C LEU A 53 -9.420 8.791 -3.416 1.00 0.00 C ATOM 787 O LEU A 53 -10.631 8.853 -3.201 1.00 0.00 O ATOM 788 CB LEU A 53 -8.154 9.735 -5.360 1.00 0.00 C ATOM 789 CG LEU A 53 -8.420 10.860 -6.362 1.00 0.00 C ATOM 790 CD1 LEU A 53 -7.285 10.957 -7.369 1.00 0.00 C ATOM 791 CD2 LEU A 53 -9.747 10.638 -7.072 1.00 0.00 C ATOM 0 H LEU A 53 -6.622 10.071 -3.432 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.335 10.856 -3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.081 9.549 -5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.622 8.822 -5.729 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.475 11.802 -5.816 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.492 11.763 -8.074 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.351 11.163 -6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.197 10.015 -7.910 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.920 11.448 -7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.720 9.688 -7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.553 10.619 -6.339 1.00 0.00 H new ATOM 803 N TYR A 54 -8.706 7.689 -3.215 1.00 0.00 N ATOM 804 CA TYR A 54 -9.317 6.461 -2.720 1.00 0.00 C ATOM 805 C TYR A 54 -9.873 6.659 -1.313 1.00 0.00 C ATOM 806 O TYR A 54 -10.880 6.055 -0.942 1.00 0.00 O ATOM 807 CB TYR A 54 -8.296 5.321 -2.726 1.00 0.00 C ATOM 808 CG TYR A 54 -8.804 4.057 -3.383 1.00 0.00 C ATOM 809 CD1 TYR A 54 -9.514 4.109 -4.575 1.00 0.00 C ATOM 810 CD2 TYR A 54 -8.572 2.813 -2.811 1.00 0.00 C ATOM 811 CE1 TYR A 54 -9.980 2.957 -5.179 1.00 0.00 C ATOM 812 CE2 TYR A 54 -9.034 1.656 -3.409 1.00 0.00 C ATOM 813 CZ TYR A 54 -9.738 1.733 -4.592 1.00 0.00 C ATOM 814 OH TYR A 54 -10.201 0.584 -5.190 1.00 0.00 O ATOM 0 H TYR A 54 -7.703 7.621 -3.387 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.143 6.201 -3.382 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.396 5.653 -3.244 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.009 5.096 -1.699 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.705 5.066 -5.038 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.022 2.749 -1.884 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.531 3.015 -6.106 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -8.845 0.696 -2.952 1.00 0.00 H new ATOM 0 HH TYR A 54 -9.945 -0.192 -4.649 1.00 0.00 H new ATOM 824 N ALA A 55 -9.211 7.509 -0.534 1.00 0.00 N ATOM 825 CA ALA A 55 -9.639 7.787 0.831 1.00 0.00 C ATOM 826 C ALA A 55 -10.950 8.564 0.848 1.00 0.00 C ATOM 827 O ALA A 55 -11.780 8.383 1.739 1.00 0.00 O ATOM 828 CB ALA A 55 -8.557 8.555 1.576 1.00 0.00 C ATOM 0 H ALA A 55 -8.376 8.017 -0.826 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.806 6.835 1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.889 8.756 2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.643 7.962 1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.363 9.498 1.065 1.00 0.00 H new ATOM 834 N LYS A 56 -11.131 9.431 -0.143 1.00 0.00 N ATOM 835 CA LYS A 56 -12.343 10.237 -0.243 1.00 0.00 C ATOM 836 C LYS A 56 -13.524 9.391 -0.709 1.00 0.00 C ATOM 837 O LYS A 56 -14.674 9.675 -0.376 1.00 0.00 O ATOM 838 CB LYS A 56 -12.126 11.405 -1.205 1.00 0.00 C ATOM 839 CG LYS A 56 -12.951 12.635 -0.865 1.00 0.00 C ATOM 840 CD LYS A 56 -12.252 13.508 0.164 1.00 0.00 C ATOM 841 CE LYS A 56 -13.243 14.126 1.138 1.00 0.00 C ATOM 842 NZ LYS A 56 -12.868 15.519 1.504 1.00 0.00 N ATOM 0 H LYS A 56 -10.454 9.594 -0.888 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.570 10.629 0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.070 11.675 -1.204 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.371 11.082 -2.217 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.134 13.214 -1.771 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.924 12.327 -0.482 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.524 12.912 0.714 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.699 14.298 -0.344 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.238 14.123 0.694 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.295 13.515 2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.569 15.904 2.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.929 15.520 1.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.844 16.108 0.647 1.00 0.00 H new ATOM 856 N SER A 57 -13.232 8.349 -1.483 1.00 0.00 N ATOM 857 CA SER A 57 -14.270 7.462 -1.996 1.00 0.00 C ATOM 858 C SER A 57 -15.070 6.840 -0.855 1.00 0.00 C ATOM 859 O SER A 57 -14.883 7.191 0.311 1.00 0.00 O ATOM 860 CB SER A 57 -13.649 6.361 -2.857 1.00 0.00 C ATOM 861 OG SER A 57 -14.471 6.059 -3.971 1.00 0.00 O ATOM 0 H SER A 57 -12.285 8.099 -1.768 1.00 0.00 H new ATOM 0 HA SER A 57 -14.948 8.056 -2.609 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.665 6.677 -3.203 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.503 5.464 -2.255 1.00 0.00 H new ATOM 0 HG SER A 57 -14.051 5.354 -4.506 1.00 0.00 H new ATOM 867 N GLU A 58 -15.961 5.917 -1.198 1.00 0.00 N ATOM 868 CA GLU A 58 -16.790 5.247 -0.202 1.00 0.00 C ATOM 869 C GLU A 58 -16.172 3.916 0.215 1.00 0.00 C ATOM 870 O GLU A 58 -16.868 2.908 0.340 1.00 0.00 O ATOM 871 CB GLU A 58 -18.200 5.020 -0.751 1.00 0.00 C ATOM 872 CG GLU A 58 -18.800 6.250 -1.414 1.00 0.00 C ATOM 873 CD GLU A 58 -19.242 5.988 -2.841 1.00 0.00 C ATOM 874 OE1 GLU A 58 -19.602 4.833 -3.148 1.00 0.00 O ATOM 875 OE2 GLU A 58 -19.227 6.939 -3.651 1.00 0.00 O ATOM 0 H GLU A 58 -16.128 5.615 -2.158 1.00 0.00 H new ATOM 0 HA GLU A 58 -16.849 5.889 0.677 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -18.173 4.205 -1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -18.851 4.702 0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -19.655 6.592 -0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -18.066 7.056 -1.407 1.00 0.00 H new ATOM 882 N PHE A 59 -14.860 3.920 0.430 1.00 0.00 N ATOM 883 CA PHE A 59 -14.148 2.714 0.834 1.00 0.00 C ATOM 884 C PHE A 59 -13.113 3.028 1.909 1.00 0.00 C ATOM 885 O PHE A 59 -12.050 2.409 1.962 1.00 0.00 O ATOM 886 CB PHE A 59 -13.467 2.070 -0.374 1.00 0.00 C ATOM 887 CG PHE A 59 -14.406 1.782 -1.511 1.00 0.00 C ATOM 888 CD1 PHE A 59 -15.227 0.666 -1.483 1.00 0.00 C ATOM 889 CD2 PHE A 59 -14.467 2.628 -2.607 1.00 0.00 C ATOM 890 CE1 PHE A 59 -16.092 0.399 -2.527 1.00 0.00 C ATOM 891 CE2 PHE A 59 -15.330 2.366 -3.654 1.00 0.00 C ATOM 892 CZ PHE A 59 -16.143 1.250 -3.614 1.00 0.00 C ATOM 0 H PHE A 59 -14.269 4.745 0.331 1.00 0.00 H new ATOM 0 HA PHE A 59 -14.874 2.015 1.248 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -12.673 2.729 -0.727 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -12.993 1.140 -0.060 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -15.190 -0.003 -0.636 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -13.833 3.502 -2.643 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -16.727 -0.474 -2.493 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -15.369 3.033 -4.503 1.00 0.00 H new ATOM 0 HZ PHE A 59 -16.818 1.043 -4.432 1.00 0.00 H new ATOM 902 N LYS A 60 -13.430 3.996 2.763 1.00 0.00 N ATOM 903 CA LYS A 60 -12.528 4.395 3.837 1.00 0.00 C ATOM 904 C LYS A 60 -12.290 3.240 4.805 1.00 0.00 C ATOM 905 O LYS A 60 -11.160 2.995 5.228 1.00 0.00 O ATOM 906 CB LYS A 60 -13.100 5.597 4.590 1.00 0.00 C ATOM 907 CG LYS A 60 -12.210 6.089 5.720 1.00 0.00 C ATOM 908 CD LYS A 60 -11.069 6.946 5.196 1.00 0.00 C ATOM 909 CE LYS A 60 -10.604 7.950 6.239 1.00 0.00 C ATOM 910 NZ LYS A 60 -11.547 9.095 6.367 1.00 0.00 N ATOM 0 H LYS A 60 -14.305 4.519 2.732 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.573 4.674 3.392 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.262 6.413 3.885 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.075 5.329 4.997 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.805 6.666 6.428 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.806 5.236 6.264 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.235 6.307 4.907 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.391 7.474 4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.505 7.452 7.203 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.616 8.322 5.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.123 9.828 6.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.741 9.492 5.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.436 8.766 6.794 1.00 0.00 H new ATOM 924 N ASP A 61 -13.361 2.536 5.153 1.00 0.00 N ATOM 925 CA ASP A 61 -13.269 1.408 6.073 1.00 0.00 C ATOM 926 C ASP A 61 -13.124 0.087 5.319 1.00 0.00 C ATOM 927 O ASP A 61 -13.328 -0.986 5.887 1.00 0.00 O ATOM 928 CB ASP A 61 -14.503 1.359 6.976 1.00 0.00 C ATOM 929 CG ASP A 61 -14.262 0.563 8.243 1.00 0.00 C ATOM 930 OD1 ASP A 61 -13.738 1.143 9.218 1.00 0.00 O ATOM 931 OD2 ASP A 61 -14.597 -0.640 8.262 1.00 0.00 O ATOM 0 H ASP A 61 -14.303 2.726 4.812 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.379 1.550 6.686 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.798 2.375 7.239 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.335 0.918 6.426 1.00 0.00 H new ATOM 936 N ARG A 62 -12.773 0.169 4.038 1.00 0.00 N ATOM 937 CA ARG A 62 -12.604 -1.024 3.216 1.00 0.00 C ATOM 938 C ARG A 62 -11.147 -1.196 2.799 1.00 0.00 C ATOM 939 O ARG A 62 -10.570 -2.273 2.950 1.00 0.00 O ATOM 940 CB ARG A 62 -13.497 -0.945 1.975 1.00 0.00 C ATOM 941 CG ARG A 62 -14.871 -1.565 2.174 1.00 0.00 C ATOM 942 CD ARG A 62 -15.965 -0.510 2.186 1.00 0.00 C ATOM 943 NE ARG A 62 -17.299 -1.103 2.117 1.00 0.00 N ATOM 944 CZ ARG A 62 -17.924 -1.645 3.159 1.00 0.00 C ATOM 945 NH1 ARG A 62 -17.341 -1.673 4.351 1.00 0.00 N ATOM 946 NH2 ARG A 62 -19.136 -2.162 3.010 1.00 0.00 N ATOM 0 H ARG A 62 -12.601 1.047 3.549 1.00 0.00 H new ATOM 0 HA ARG A 62 -12.897 -1.889 3.811 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -13.617 0.100 1.690 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -12.998 -1.446 1.146 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -15.066 -2.283 1.377 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -14.888 -2.119 3.113 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -15.881 0.089 3.093 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -15.825 0.167 1.343 1.00 0.00 H new ATOM 0 HE ARG A 62 -17.779 -1.101 1.217 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -16.409 -1.278 4.472 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -17.825 -2.090 5.146 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -19.589 -2.144 2.096 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -19.615 -2.577 3.809 1.00 0.00 H new ATOM 960 N VAL A 63 -10.557 -0.127 2.274 1.00 0.00 N ATOM 961 CA VAL A 63 -9.168 -0.158 1.835 1.00 0.00 C ATOM 962 C VAL A 63 -8.420 1.091 2.292 1.00 0.00 C ATOM 963 O VAL A 63 -8.959 2.197 2.255 1.00 0.00 O ATOM 964 CB VAL A 63 -9.066 -0.278 0.301 1.00 0.00 C ATOM 965 CG1 VAL A 63 -9.701 0.927 -0.376 1.00 0.00 C ATOM 966 CG2 VAL A 63 -7.615 -0.438 -0.129 1.00 0.00 C ATOM 0 H VAL A 63 -11.020 0.772 2.142 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.710 -1.037 2.289 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.613 -1.168 -0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.618 0.822 -1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.753 0.989 -0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.188 1.835 -0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.564 -0.521 -1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.041 0.430 0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.199 -1.338 0.324 1.00 0.00 H new ATOM 976 N VAL A 64 -7.176 0.906 2.724 1.00 0.00 N ATOM 977 CA VAL A 64 -6.356 2.018 3.189 1.00 0.00 C ATOM 978 C VAL A 64 -5.003 2.038 2.483 1.00 0.00 C ATOM 979 O VAL A 64 -4.299 1.029 2.439 1.00 0.00 O ATOM 980 CB VAL A 64 -6.131 1.950 4.713 1.00 0.00 C ATOM 981 CG1 VAL A 64 -5.394 0.674 5.091 1.00 0.00 C ATOM 982 CG2 VAL A 64 -5.374 3.177 5.199 1.00 0.00 C ATOM 0 H VAL A 64 -6.715 -0.003 2.761 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.898 2.933 2.951 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.105 1.936 5.203 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.245 0.646 6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.982 -0.191 4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.426 0.651 4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.225 3.110 6.277 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.405 3.228 4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.948 4.074 4.967 1.00 0.00 H new ATOM 992 N ILE A 65 -4.646 3.195 1.933 1.00 0.00 N ATOM 993 CA ILE A 65 -3.378 3.349 1.231 1.00 0.00 C ATOM 994 C ILE A 65 -2.254 3.693 2.203 1.00 0.00 C ATOM 995 O ILE A 65 -2.174 4.815 2.703 1.00 0.00 O ATOM 996 CB ILE A 65 -3.461 4.446 0.151 1.00 0.00 C ATOM 997 CG1 ILE A 65 -4.717 4.258 -0.703 1.00 0.00 C ATOM 998 CG2 ILE A 65 -2.213 4.430 -0.719 1.00 0.00 C ATOM 999 CD1 ILE A 65 -4.707 2.987 -1.523 1.00 0.00 C ATOM 0 H ILE A 65 -5.218 4.039 1.960 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.163 2.394 0.751 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.522 5.416 0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.591 4.254 -0.052 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.822 5.112 -1.373 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.287 5.210 -1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.335 4.609 -0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.121 3.459 -1.206 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.628 2.921 -2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.852 2.997 -2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.634 2.126 -0.859 1.00 0.00 H new ATOM 1011 N ALA A 66 -1.389 2.719 2.469 1.00 0.00 N ATOM 1012 CA ALA A 66 -0.271 2.919 3.384 1.00 0.00 C ATOM 1013 C ALA A 66 1.059 2.941 2.637 1.00 0.00 C ATOM 1014 O ALA A 66 1.316 2.096 1.778 1.00 0.00 O ATOM 1015 CB ALA A 66 -0.262 1.832 4.448 1.00 0.00 C ATOM 0 H ALA A 66 -1.441 1.784 2.064 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.400 3.888 3.867 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.577 1.992 5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.194 1.867 5.011 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.162 0.857 3.971 1.00 0.00 H new ATOM 1021 N LYS A 67 1.902 3.912 2.973 1.00 0.00 N ATOM 1022 CA LYS A 67 3.208 4.045 2.338 1.00 0.00 C ATOM 1023 C LYS A 67 4.327 3.803 3.345 1.00 0.00 C ATOM 1024 O LYS A 67 4.151 4.015 4.545 1.00 0.00 O ATOM 1025 CB LYS A 67 3.357 5.434 1.713 1.00 0.00 C ATOM 1026 CG LYS A 67 3.269 6.567 2.722 1.00 0.00 C ATOM 1027 CD LYS A 67 2.969 7.894 2.043 1.00 0.00 C ATOM 1028 CE LYS A 67 4.238 8.565 1.543 1.00 0.00 C ATOM 1029 NZ LYS A 67 4.399 8.423 0.070 1.00 0.00 N ATOM 0 H LYS A 67 1.704 4.618 3.682 1.00 0.00 H new ATOM 0 HA LYS A 67 3.282 3.293 1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.316 5.491 1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.582 5.569 0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.490 6.346 3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.208 6.641 3.270 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.289 7.730 1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.459 8.555 2.744 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.217 9.623 1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.101 8.129 2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.337 8.026 -0.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.663 7.788 -0.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.309 9.356 -0.381 1.00 0.00 H new ATOM 1043 N VAL A 68 5.476 3.353 2.851 1.00 0.00 N ATOM 1044 CA VAL A 68 6.619 3.080 3.712 1.00 0.00 C ATOM 1045 C VAL A 68 7.888 2.858 2.893 1.00 0.00 C ATOM 1046 O VAL A 68 7.832 2.381 1.760 1.00 0.00 O ATOM 1047 CB VAL A 68 6.368 1.844 4.598 1.00 0.00 C ATOM 1048 CG1 VAL A 68 6.155 0.606 3.740 1.00 0.00 C ATOM 1049 CG2 VAL A 68 7.518 1.635 5.572 1.00 0.00 C ATOM 0 H VAL A 68 5.639 3.170 1.861 1.00 0.00 H new ATOM 0 HA VAL A 68 6.753 3.955 4.348 1.00 0.00 H new ATOM 0 HB VAL A 68 5.462 2.018 5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.979 -0.256 4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.292 0.757 3.091 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.041 0.429 3.130 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.319 0.757 6.187 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.443 1.486 5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.617 2.512 6.212 1.00 0.00 H new ATOM 1059 N ASP A 69 9.030 3.201 3.480 1.00 0.00 N ATOM 1060 CA ASP A 69 10.315 3.033 2.812 1.00 0.00 C ATOM 1061 C ASP A 69 10.858 1.627 3.040 1.00 0.00 C ATOM 1062 O ASP A 69 10.651 1.036 4.100 1.00 0.00 O ATOM 1063 CB ASP A 69 11.319 4.068 3.322 1.00 0.00 C ATOM 1064 CG ASP A 69 11.395 4.103 4.836 1.00 0.00 C ATOM 1065 OD1 ASP A 69 12.027 3.197 5.420 1.00 0.00 O ATOM 1066 OD2 ASP A 69 10.823 5.036 5.438 1.00 0.00 O ATOM 0 H ASP A 69 9.091 3.597 4.418 1.00 0.00 H new ATOM 0 HA ASP A 69 10.166 3.181 1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.306 3.844 2.917 1.00 0.00 H new ATOM 0 HB3 ASP A 69 11.039 5.054 2.952 1.00 0.00 H new ATOM 1071 N ALA A 70 11.556 1.093 2.041 1.00 0.00 N ATOM 1072 CA ALA A 70 12.128 -0.245 2.140 1.00 0.00 C ATOM 1073 C ALA A 70 13.521 -0.203 2.761 1.00 0.00 C ATOM 1074 O ALA A 70 14.464 -0.801 2.242 1.00 0.00 O ATOM 1075 CB ALA A 70 12.172 -0.902 0.767 1.00 0.00 C ATOM 0 H ALA A 70 11.738 1.566 1.156 1.00 0.00 H new ATOM 0 HA ALA A 70 11.490 -0.841 2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.601 -1.900 0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.161 -0.976 0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 70 12.786 -0.301 0.096 1.00 0.00 H new ATOM 1081 N THR A 71 13.641 0.509 3.876 1.00 0.00 N ATOM 1082 CA THR A 71 14.916 0.632 4.572 1.00 0.00 C ATOM 1083 C THR A 71 14.725 0.502 6.082 1.00 0.00 C ATOM 1084 O THR A 71 15.568 0.942 6.864 1.00 0.00 O ATOM 1085 CB THR A 71 15.573 1.975 4.240 1.00 0.00 C ATOM 1086 OG1 THR A 71 15.055 3.006 5.063 1.00 0.00 O ATOM 1087 CG2 THR A 71 15.378 2.399 2.799 1.00 0.00 C ATOM 0 H THR A 71 12.870 1.010 4.317 1.00 0.00 H new ATOM 0 HA THR A 71 15.567 -0.175 4.236 1.00 0.00 H new ATOM 0 HB THR A 71 16.638 1.825 4.417 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.078 2.937 5.097 1.00 0.00 H new ATOM 0 HG21 THR A 71 15.868 3.358 2.632 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.812 1.650 2.137 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.313 2.495 2.589 1.00 0.00 H new ATOM 1095 N ALA A 72 13.610 -0.101 6.485 1.00 0.00 N ATOM 1096 CA ALA A 72 13.307 -0.285 7.898 1.00 0.00 C ATOM 1097 C ALA A 72 13.942 -1.562 8.436 1.00 0.00 C ATOM 1098 O ALA A 72 14.649 -2.268 7.716 1.00 0.00 O ATOM 1099 CB ALA A 72 11.801 -0.310 8.113 1.00 0.00 C ATOM 0 H ALA A 72 12.902 -0.470 5.851 1.00 0.00 H new ATOM 0 HA ALA A 72 13.729 0.556 8.448 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.587 -0.448 9.173 1.00 0.00 H new ATOM 0 HB2 ALA A 72 11.370 0.632 7.775 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.366 -1.132 7.545 1.00 0.00 H new ATOM 1105 N ASN A 73 13.689 -1.852 9.708 1.00 0.00 N ATOM 1106 CA ASN A 73 14.239 -3.044 10.346 1.00 0.00 C ATOM 1107 C ASN A 73 13.157 -4.100 10.549 1.00 0.00 C ATOM 1108 O ASN A 73 11.966 -3.791 10.545 1.00 0.00 O ATOM 1109 CB ASN A 73 14.874 -2.688 11.695 1.00 0.00 C ATOM 1110 CG ASN A 73 15.463 -1.290 11.717 1.00 0.00 C ATOM 1111 OD1 ASN A 73 16.674 -1.111 11.581 1.00 0.00 O ATOM 1112 ND2 ASN A 73 14.606 -0.290 11.889 1.00 0.00 N ATOM 0 H ASN A 73 13.107 -1.278 10.318 1.00 0.00 H new ATOM 0 HA ASN A 73 15.007 -3.451 9.688 1.00 0.00 H new ATOM 0 HB2 ASN A 73 14.122 -2.773 12.479 1.00 0.00 H new ATOM 0 HB3 ASN A 73 15.657 -3.411 11.925 1.00 0.00 H new ATOM 0 HD21 ASN A 73 14.943 0.672 11.912 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.611 -0.484 11.998 1.00 0.00 H new ATOM 1119 N ASP A 74 13.580 -5.347 10.729 1.00 0.00 N ATOM 1120 CA ASP A 74 12.649 -6.452 10.937 1.00 0.00 C ATOM 1121 C ASP A 74 11.624 -6.529 9.809 1.00 0.00 C ATOM 1122 O ASP A 74 10.439 -6.761 10.048 1.00 0.00 O ATOM 1123 CB ASP A 74 11.935 -6.296 12.281 1.00 0.00 C ATOM 1124 CG ASP A 74 12.773 -6.794 13.442 1.00 0.00 C ATOM 1125 OD1 ASP A 74 12.833 -8.025 13.645 1.00 0.00 O ATOM 1126 OD2 ASP A 74 13.369 -5.954 14.148 1.00 0.00 O ATOM 0 H ASP A 74 14.563 -5.619 10.735 1.00 0.00 H new ATOM 0 HA ASP A 74 13.223 -7.379 10.941 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.688 -5.246 12.439 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.993 -6.844 12.255 1.00 0.00 H new ATOM 1131 N VAL A 75 12.088 -6.336 8.579 1.00 0.00 N ATOM 1132 CA VAL A 75 11.211 -6.386 7.416 1.00 0.00 C ATOM 1133 C VAL A 75 11.771 -7.325 6.347 1.00 0.00 C ATOM 1134 O VAL A 75 12.423 -6.887 5.399 1.00 0.00 O ATOM 1135 CB VAL A 75 11.003 -4.982 6.810 1.00 0.00 C ATOM 1136 CG1 VAL A 75 12.331 -4.378 6.380 1.00 0.00 C ATOM 1137 CG2 VAL A 75 10.026 -5.037 5.643 1.00 0.00 C ATOM 0 H VAL A 75 13.066 -6.144 8.362 1.00 0.00 H new ATOM 0 HA VAL A 75 10.248 -6.767 7.756 1.00 0.00 H new ATOM 0 HB VAL A 75 10.574 -4.339 7.579 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.160 -3.389 5.956 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.989 -4.293 7.245 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.796 -5.019 5.631 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.894 -4.036 5.231 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.419 -5.698 4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.065 -5.416 5.991 1.00 0.00 H new ATOM 1147 N PRO A 76 11.522 -8.638 6.490 1.00 0.00 N ATOM 1148 CA PRO A 76 12.003 -9.644 5.538 1.00 0.00 C ATOM 1149 C PRO A 76 11.250 -9.595 4.213 1.00 0.00 C ATOM 1150 O PRO A 76 10.341 -10.391 3.974 1.00 0.00 O ATOM 1151 CB PRO A 76 11.735 -10.967 6.257 1.00 0.00 C ATOM 1152 CG PRO A 76 10.589 -10.676 7.162 1.00 0.00 C ATOM 1153 CD PRO A 76 10.753 -9.245 7.593 1.00 0.00 C ATOM 0 HA PRO A 76 13.050 -9.490 5.275 1.00 0.00 H new ATOM 0 HB2 PRO A 76 11.491 -11.760 5.550 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.609 -11.298 6.818 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.639 -10.822 6.648 1.00 0.00 H new ATOM 0 HG3 PRO A 76 10.592 -11.345 8.022 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.789 -8.754 7.728 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.285 -9.170 8.542 1.00 0.00 H new ATOM 1161 N ASP A 77 11.632 -8.655 3.355 1.00 0.00 N ATOM 1162 CA ASP A 77 10.990 -8.503 2.054 1.00 0.00 C ATOM 1163 C ASP A 77 12.017 -8.537 0.926 1.00 0.00 C ATOM 1164 O ASP A 77 12.594 -7.511 0.567 1.00 0.00 O ATOM 1165 CB ASP A 77 10.204 -7.191 2.002 1.00 0.00 C ATOM 1166 CG ASP A 77 9.434 -7.030 0.706 1.00 0.00 C ATOM 1167 OD1 ASP A 77 9.193 -8.051 0.028 1.00 0.00 O ATOM 1168 OD2 ASP A 77 9.072 -5.883 0.369 1.00 0.00 O ATOM 0 H ASP A 77 12.382 -7.988 3.536 1.00 0.00 H new ATOM 0 HA ASP A 77 10.304 -9.339 1.918 1.00 0.00 H new ATOM 0 HB2 ASP A 77 9.510 -7.153 2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.892 -6.354 2.119 1.00 0.00 H new ATOM 1173 N GLU A 78 12.237 -9.724 0.367 1.00 0.00 N ATOM 1174 CA GLU A 78 13.189 -9.891 -0.725 1.00 0.00 C ATOM 1175 C GLU A 78 12.508 -9.663 -2.070 1.00 0.00 C ATOM 1176 O GLU A 78 11.577 -10.382 -2.434 1.00 0.00 O ATOM 1177 CB GLU A 78 13.809 -11.289 -0.682 1.00 0.00 C ATOM 1178 CG GLU A 78 15.287 -11.311 -1.039 1.00 0.00 C ATOM 1179 CD GLU A 78 15.660 -12.499 -1.902 1.00 0.00 C ATOM 1180 OE1 GLU A 78 15.166 -13.613 -1.626 1.00 0.00 O ATOM 1181 OE2 GLU A 78 16.447 -12.317 -2.855 1.00 0.00 O ATOM 0 H GLU A 78 11.769 -10.584 0.653 1.00 0.00 H new ATOM 0 HA GLU A 78 13.980 -9.151 -0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.679 -11.704 0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.268 -11.939 -1.370 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.544 -10.391 -1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.878 -11.332 -0.123 1.00 0.00 H new ATOM 1188 N ILE A 79 12.970 -8.654 -2.802 1.00 0.00 N ATOM 1189 CA ILE A 79 12.395 -8.329 -4.102 1.00 0.00 C ATOM 1190 C ILE A 79 13.477 -8.026 -5.133 1.00 0.00 C ATOM 1191 O ILE A 79 14.615 -7.715 -4.782 1.00 0.00 O ATOM 1192 CB ILE A 79 11.440 -7.125 -4.007 1.00 0.00 C ATOM 1193 CG1 ILE A 79 12.174 -5.903 -3.442 1.00 0.00 C ATOM 1194 CG2 ILE A 79 10.230 -7.476 -3.153 1.00 0.00 C ATOM 1195 CD1 ILE A 79 12.482 -6.001 -1.962 1.00 0.00 C ATOM 0 H ILE A 79 13.740 -8.048 -2.517 1.00 0.00 H new ATOM 0 HA ILE A 79 11.835 -9.207 -4.423 1.00 0.00 H new ATOM 0 HB ILE A 79 11.089 -6.876 -5.009 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.107 -5.767 -3.989 1.00 0.00 H new ATOM 0 HG13 ILE A 79 11.569 -5.014 -3.619 1.00 0.00 H new ATOM 0 HG21 ILE A 79 9.564 -6.615 -3.095 1.00 0.00 H new ATOM 0 HG22 ILE A 79 9.699 -8.316 -3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 79 10.559 -7.749 -2.150 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.001 -5.099 -1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.552 -6.105 -1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 79 13.114 -6.870 -1.779 1.00 0.00 H new ATOM 1207 N GLN A 80 13.112 -8.122 -6.408 1.00 0.00 N ATOM 1208 CA GLN A 80 14.048 -7.862 -7.496 1.00 0.00 C ATOM 1209 C GLN A 80 14.279 -6.364 -7.680 1.00 0.00 C ATOM 1210 O GLN A 80 15.421 -5.913 -7.777 1.00 0.00 O ATOM 1211 CB GLN A 80 13.531 -8.475 -8.799 1.00 0.00 C ATOM 1212 CG GLN A 80 12.207 -7.892 -9.264 1.00 0.00 C ATOM 1213 CD GLN A 80 11.589 -8.683 -10.400 1.00 0.00 C ATOM 1214 OE1 GLN A 80 10.480 -9.204 -10.278 1.00 0.00 O ATOM 1215 NE2 GLN A 80 12.306 -8.779 -11.514 1.00 0.00 N ATOM 0 H GLN A 80 12.173 -8.378 -6.713 1.00 0.00 H new ATOM 0 HA GLN A 80 15.000 -8.324 -7.236 1.00 0.00 H new ATOM 0 HB2 GLN A 80 14.277 -8.329 -9.580 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.417 -9.551 -8.664 1.00 0.00 H new ATOM 0 HG2 GLN A 80 11.512 -7.864 -8.425 1.00 0.00 H new ATOM 0 HG3 GLN A 80 12.361 -6.862 -9.585 1.00 0.00 H new ATOM 0 HE21 GLN A 80 13.221 -8.331 -11.572 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.942 -9.300 -12.312 1.00 0.00 H new ATOM 1224 N GLY A 81 13.194 -5.595 -7.730 1.00 0.00 N ATOM 1225 CA GLY A 81 13.316 -4.158 -7.905 1.00 0.00 C ATOM 1226 C GLY A 81 12.677 -3.376 -6.774 1.00 0.00 C ATOM 1227 O GLY A 81 11.627 -3.760 -6.259 1.00 0.00 O ATOM 0 H GLY A 81 12.237 -5.939 -7.653 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.371 -3.893 -7.975 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.852 -3.870 -8.848 1.00 0.00 H new ATOM 1231 N PHE A 82 13.326 -2.286 -6.374 1.00 0.00 N ATOM 1232 CA PHE A 82 12.846 -1.450 -5.288 1.00 0.00 C ATOM 1233 C PHE A 82 11.385 -1.184 -5.298 1.00 0.00 C ATOM 1234 O PHE A 82 10.739 -1.312 -4.258 1.00 0.00 O ATOM 1235 CB PHE A 82 13.609 -0.145 -5.251 1.00 0.00 C ATOM 1236 CG PHE A 82 14.571 -0.137 -4.133 1.00 0.00 C ATOM 1237 CD1 PHE A 82 14.111 -0.247 -2.839 1.00 0.00 C ATOM 1238 CD2 PHE A 82 15.922 -0.065 -4.373 1.00 0.00 C ATOM 1239 CE1 PHE A 82 15.000 -0.273 -1.785 1.00 0.00 C ATOM 1240 CE2 PHE A 82 16.817 -0.095 -3.335 1.00 0.00 C ATOM 1241 CZ PHE A 82 16.360 -0.197 -2.032 1.00 0.00 C ATOM 0 H PHE A 82 14.197 -1.962 -6.795 1.00 0.00 H new ATOM 0 HA PHE A 82 13.030 -2.028 -4.383 1.00 0.00 H new ATOM 0 HB2 PHE A 82 14.137 0.000 -6.193 1.00 0.00 H new ATOM 0 HB3 PHE A 82 12.913 0.687 -5.144 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.050 -0.313 -2.649 1.00 0.00 H new ATOM 0 HD2 PHE A 82 16.282 0.016 -5.388 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.637 -0.352 -0.771 1.00 0.00 H new ATOM 0 HE2 PHE A 82 17.877 -0.039 -3.533 1.00 0.00 H new ATOM 0 HZ PHE A 82 17.062 -0.217 -1.211 1.00 0.00 H new ATOM 1251 N PRO A 83 10.818 -0.778 -6.408 1.00 0.00 N ATOM 1252 CA PRO A 83 9.424 -0.486 -6.401 1.00 0.00 C ATOM 1253 C PRO A 83 8.601 -1.741 -6.154 1.00 0.00 C ATOM 1254 O PRO A 83 8.056 -2.346 -7.077 1.00 0.00 O ATOM 1255 CB PRO A 83 9.146 0.123 -7.770 1.00 0.00 C ATOM 1256 CG PRO A 83 10.481 0.374 -8.395 1.00 0.00 C ATOM 1257 CD PRO A 83 11.459 -0.535 -7.706 1.00 0.00 C ATOM 0 HA PRO A 83 9.147 0.197 -5.598 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.550 -0.553 -8.383 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.580 1.050 -7.676 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.451 0.170 -9.465 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.773 1.417 -8.277 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.612 -1.460 -8.261 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.437 -0.066 -7.593 1.00 0.00 H new ATOM 1265 N THR A 84 8.549 -2.131 -4.887 1.00 0.00 N ATOM 1266 CA THR A 84 7.835 -3.321 -4.465 1.00 0.00 C ATOM 1267 C THR A 84 6.481 -2.963 -3.859 1.00 0.00 C ATOM 1268 O THR A 84 6.346 -1.954 -3.169 1.00 0.00 O ATOM 1269 CB THR A 84 8.708 -4.091 -3.463 1.00 0.00 C ATOM 1270 OG1 THR A 84 9.421 -5.119 -4.124 1.00 0.00 O ATOM 1271 CG2 THR A 84 7.938 -4.731 -2.324 1.00 0.00 C ATOM 0 H THR A 84 9.003 -1.628 -4.125 1.00 0.00 H new ATOM 0 HA THR A 84 7.637 -3.953 -5.331 1.00 0.00 H new ATOM 0 HB THR A 84 9.372 -3.340 -3.035 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.791 -5.705 -4.593 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.631 -5.254 -1.665 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.413 -3.959 -1.761 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.215 -5.441 -2.727 1.00 0.00 H new ATOM 1279 N ILE A 85 5.482 -3.798 -4.123 1.00 0.00 N ATOM 1280 CA ILE A 85 4.140 -3.571 -3.603 1.00 0.00 C ATOM 1281 C ILE A 85 3.617 -4.810 -2.884 1.00 0.00 C ATOM 1282 O ILE A 85 3.489 -5.879 -3.481 1.00 0.00 O ATOM 1283 CB ILE A 85 3.156 -3.191 -4.725 1.00 0.00 C ATOM 1284 CG1 ILE A 85 3.773 -2.131 -5.640 1.00 0.00 C ATOM 1285 CG2 ILE A 85 1.845 -2.693 -4.134 1.00 0.00 C ATOM 1286 CD1 ILE A 85 4.420 -2.707 -6.880 1.00 0.00 C ATOM 0 H ILE A 85 5.577 -4.638 -4.694 1.00 0.00 H new ATOM 0 HA ILE A 85 4.210 -2.743 -2.898 1.00 0.00 H new ATOM 0 HB ILE A 85 2.948 -4.079 -5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.998 -1.425 -5.939 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.519 -1.568 -5.079 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.160 -2.428 -4.940 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.400 -3.478 -3.523 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.035 -1.815 -3.516 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.836 -1.899 -7.482 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.217 -3.391 -6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.673 -3.246 -7.463 1.00 0.00 H new ATOM 1298 N LYS A 86 3.317 -4.657 -1.599 1.00 0.00 N ATOM 1299 CA LYS A 86 2.807 -5.761 -0.795 1.00 0.00 C ATOM 1300 C LYS A 86 1.303 -5.623 -0.577 1.00 0.00 C ATOM 1301 O LYS A 86 0.843 -4.677 0.064 1.00 0.00 O ATOM 1302 CB LYS A 86 3.532 -5.816 0.553 1.00 0.00 C ATOM 1303 CG LYS A 86 4.317 -7.100 0.768 1.00 0.00 C ATOM 1304 CD LYS A 86 5.265 -6.981 1.950 1.00 0.00 C ATOM 1305 CE LYS A 86 6.276 -8.117 1.970 1.00 0.00 C ATOM 1306 NZ LYS A 86 6.567 -8.577 3.355 1.00 0.00 N ATOM 0 H LYS A 86 3.418 -3.778 -1.091 1.00 0.00 H new ATOM 0 HA LYS A 86 2.993 -6.690 -1.334 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.212 -4.967 0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 86 2.801 -5.708 1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.626 -7.926 0.936 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.884 -7.336 -0.132 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.789 -6.027 1.903 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.693 -6.985 2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.895 -8.952 1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.200 -7.789 1.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.260 -9.352 3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.955 -7.787 3.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.690 -8.914 3.800 1.00 0.00 H new ATOM 1320 N LEU A 87 0.544 -6.570 -1.117 1.00 0.00 N ATOM 1321 CA LEU A 87 -0.908 -6.553 -0.985 1.00 0.00 C ATOM 1322 C LEU A 87 -1.364 -7.457 0.157 1.00 0.00 C ATOM 1323 O LEU A 87 -0.945 -8.611 0.255 1.00 0.00 O ATOM 1324 CB LEU A 87 -1.564 -6.994 -2.295 1.00 0.00 C ATOM 1325 CG LEU A 87 -2.668 -6.070 -2.811 1.00 0.00 C ATOM 1326 CD1 LEU A 87 -3.780 -5.940 -1.781 1.00 0.00 C ATOM 1327 CD2 LEU A 87 -2.098 -4.704 -3.159 1.00 0.00 C ATOM 0 H LEU A 87 0.910 -7.359 -1.650 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.215 -5.532 -0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.792 -7.075 -3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.982 -7.991 -2.156 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.089 -6.507 -3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.557 -5.279 -2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.207 -6.923 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.375 -5.525 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.897 -4.059 -3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.650 -4.259 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.337 -4.813 -3.932 1.00 0.00 H new ATOM 1339 N TYR A 88 -2.228 -6.922 1.014 1.00 0.00 N ATOM 1340 CA TYR A 88 -2.751 -7.674 2.147 1.00 0.00 C ATOM 1341 C TYR A 88 -4.268 -7.521 2.240 1.00 0.00 C ATOM 1342 O TYR A 88 -4.768 -6.572 2.843 1.00 0.00 O ATOM 1343 CB TYR A 88 -2.096 -7.199 3.445 1.00 0.00 C ATOM 1344 CG TYR A 88 -0.900 -8.029 3.855 1.00 0.00 C ATOM 1345 CD1 TYR A 88 -1.064 -9.302 4.386 1.00 0.00 C ATOM 1346 CD2 TYR A 88 0.392 -7.539 3.711 1.00 0.00 C ATOM 1347 CE1 TYR A 88 0.026 -10.064 4.762 1.00 0.00 C ATOM 1348 CE2 TYR A 88 1.487 -8.295 4.085 1.00 0.00 C ATOM 1349 CZ TYR A 88 1.298 -9.556 4.610 1.00 0.00 C ATOM 1350 OH TYR A 88 2.386 -10.311 4.984 1.00 0.00 O ATOM 0 H TYR A 88 -2.581 -5.968 0.944 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.517 -8.728 1.997 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.785 -6.161 3.327 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.836 -7.221 4.245 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.060 -9.703 4.507 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.543 -6.552 3.300 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.118 -11.052 5.173 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.485 -7.900 3.967 1.00 0.00 H new ATOM 0 HH TYR A 88 2.111 -11.243 5.107 1.00 0.00 H new ATOM 1360 N PRO A 89 -5.024 -8.457 1.638 1.00 0.00 N ATOM 1361 CA PRO A 89 -6.489 -8.417 1.654 1.00 0.00 C ATOM 1362 C PRO A 89 -7.065 -8.764 3.021 1.00 0.00 C ATOM 1363 O PRO A 89 -6.493 -9.562 3.764 1.00 0.00 O ATOM 1364 CB PRO A 89 -6.882 -9.477 0.624 1.00 0.00 C ATOM 1365 CG PRO A 89 -5.745 -10.438 0.621 1.00 0.00 C ATOM 1366 CD PRO A 89 -4.510 -9.622 0.891 1.00 0.00 C ATOM 0 HA PRO A 89 -6.872 -7.421 1.430 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.816 -9.969 0.898 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.031 -9.036 -0.362 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -5.880 -11.205 1.384 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -5.671 -10.952 -0.338 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.778 -10.182 1.474 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.018 -9.321 -0.034 1.00 0.00 H new ATOM 1374 N ALA A 90 -8.204 -8.161 3.346 1.00 0.00 N ATOM 1375 CA ALA A 90 -8.861 -8.408 4.623 1.00 0.00 C ATOM 1376 C ALA A 90 -9.611 -9.735 4.601 1.00 0.00 C ATOM 1377 O ALA A 90 -10.563 -9.910 3.840 1.00 0.00 O ATOM 1378 CB ALA A 90 -9.808 -7.264 4.957 1.00 0.00 C ATOM 0 H ALA A 90 -8.690 -7.498 2.742 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.096 -8.466 5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.293 -7.460 5.913 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -9.245 -6.333 5.020 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.565 -7.179 4.177 1.00 0.00 H new ATOM 1384 N GLY A 91 -9.174 -10.670 5.438 1.00 0.00 N ATOM 1385 CA GLY A 91 -9.812 -11.972 5.496 1.00 0.00 C ATOM 1386 C GLY A 91 -8.972 -13.053 4.847 1.00 0.00 C ATOM 1387 O GLY A 91 -8.933 -14.188 5.321 1.00 0.00 O ATOM 0 H GLY A 91 -8.389 -10.549 6.078 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.999 -12.236 6.537 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.781 -11.922 5.000 1.00 0.00 H new ATOM 1391 N ALA A 92 -8.295 -12.698 3.759 1.00 0.00 N ATOM 1392 CA ALA A 92 -7.447 -13.643 3.043 1.00 0.00 C ATOM 1393 C ALA A 92 -5.977 -13.253 3.156 1.00 0.00 C ATOM 1394 O ALA A 92 -5.181 -13.524 2.257 1.00 0.00 O ATOM 1395 CB ALA A 92 -7.864 -13.721 1.581 1.00 0.00 C ATOM 0 H ALA A 92 -8.318 -11.762 3.354 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.572 -14.626 3.498 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.223 -14.430 1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.901 -14.052 1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.767 -12.737 1.122 1.00 0.00 H new ATOM 1401 N LYS A 93 -5.625 -12.614 4.268 1.00 0.00 N ATOM 1402 CA LYS A 93 -4.250 -12.185 4.501 1.00 0.00 C ATOM 1403 C LYS A 93 -3.380 -13.363 4.934 1.00 0.00 C ATOM 1404 O LYS A 93 -3.819 -14.513 4.905 1.00 0.00 O ATOM 1405 CB LYS A 93 -4.204 -11.074 5.560 1.00 0.00 C ATOM 1406 CG LYS A 93 -5.131 -11.302 6.746 1.00 0.00 C ATOM 1407 CD LYS A 93 -4.954 -12.690 7.342 1.00 0.00 C ATOM 1408 CE LYS A 93 -5.652 -12.813 8.687 1.00 0.00 C ATOM 1409 NZ LYS A 93 -4.700 -12.661 9.823 1.00 0.00 N ATOM 0 H LYS A 93 -6.273 -12.382 5.021 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.855 -11.791 3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.182 -10.979 5.926 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.463 -10.127 5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.935 -10.550 7.511 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.166 -11.172 6.429 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.353 -13.436 6.654 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.892 -12.903 7.462 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -6.431 -12.054 8.762 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.144 -13.783 8.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.999 -13.271 10.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.746 -12.936 9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.690 -11.670 10.137 1.00 0.00 H new ATOM 1423 N GLY A 94 -2.145 -13.071 5.331 1.00 0.00 N ATOM 1424 CA GLY A 94 -1.237 -14.119 5.760 1.00 0.00 C ATOM 1425 C GLY A 94 -0.166 -14.421 4.728 1.00 0.00 C ATOM 1426 O GLY A 94 0.836 -15.065 5.038 1.00 0.00 O ATOM 0 H GLY A 94 -1.757 -12.128 5.363 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.762 -13.823 6.695 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.806 -15.026 5.964 1.00 0.00 H new ATOM 1430 N GLN A 95 -0.373 -13.951 3.501 1.00 0.00 N ATOM 1431 CA GLN A 95 0.588 -14.172 2.428 1.00 0.00 C ATOM 1432 C GLN A 95 0.942 -12.853 1.736 1.00 0.00 C ATOM 1433 O GLN A 95 0.100 -12.242 1.080 1.00 0.00 O ATOM 1434 CB GLN A 95 0.039 -15.186 1.413 1.00 0.00 C ATOM 1435 CG GLN A 95 -1.060 -14.646 0.508 1.00 0.00 C ATOM 1436 CD GLN A 95 -2.257 -14.126 1.280 1.00 0.00 C ATOM 1437 OE1 GLN A 95 -3.039 -14.901 1.831 1.00 0.00 O ATOM 1438 NE2 GLN A 95 -2.406 -12.807 1.324 1.00 0.00 N ATOM 0 H GLN A 95 -1.197 -13.416 3.227 1.00 0.00 H new ATOM 0 HA GLN A 95 1.499 -14.581 2.865 1.00 0.00 H new ATOM 0 HB2 GLN A 95 0.862 -15.540 0.792 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.346 -16.050 1.955 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.655 -13.843 -0.108 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.386 -15.435 -0.170 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.734 -12.202 0.853 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -3.193 -12.399 1.829 1.00 0.00 H new ATOM 1447 N PRO A 96 2.197 -12.387 1.879 1.00 0.00 N ATOM 1448 CA PRO A 96 2.645 -11.132 1.266 1.00 0.00 C ATOM 1449 C PRO A 96 2.587 -11.183 -0.257 1.00 0.00 C ATOM 1450 O PRO A 96 3.389 -11.864 -0.895 1.00 0.00 O ATOM 1451 CB PRO A 96 4.099 -10.986 1.737 1.00 0.00 C ATOM 1452 CG PRO A 96 4.229 -11.905 2.903 1.00 0.00 C ATOM 1453 CD PRO A 96 3.272 -13.033 2.650 1.00 0.00 C ATOM 0 HA PRO A 96 2.009 -10.295 1.555 1.00 0.00 H new ATOM 0 HB2 PRO A 96 4.798 -11.254 0.945 1.00 0.00 H new ATOM 0 HB3 PRO A 96 4.319 -9.957 2.021 1.00 0.00 H new ATOM 0 HG2 PRO A 96 5.250 -12.274 2.997 1.00 0.00 H new ATOM 0 HG3 PRO A 96 3.989 -11.391 3.834 1.00 0.00 H new ATOM 0 HD2 PRO A 96 3.741 -13.842 2.090 1.00 0.00 H new ATOM 0 HD3 PRO A 96 2.900 -13.463 3.580 1.00 0.00 H new ATOM 1461 N VAL A 97 1.636 -10.457 -0.835 1.00 0.00 N ATOM 1462 CA VAL A 97 1.482 -10.423 -2.284 1.00 0.00 C ATOM 1463 C VAL A 97 2.489 -9.469 -2.918 1.00 0.00 C ATOM 1464 O VAL A 97 2.347 -8.250 -2.826 1.00 0.00 O ATOM 1465 CB VAL A 97 0.060 -9.995 -2.690 1.00 0.00 C ATOM 1466 CG1 VAL A 97 -0.141 -10.158 -4.189 1.00 0.00 C ATOM 1467 CG2 VAL A 97 -0.979 -10.792 -1.915 1.00 0.00 C ATOM 0 H VAL A 97 0.963 -9.886 -0.324 1.00 0.00 H new ATOM 0 HA VAL A 97 1.663 -11.435 -2.646 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.066 -8.941 -2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.152 -9.850 -4.456 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.580 -9.538 -4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.005 -11.203 -4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.978 -10.476 -2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.855 -11.854 -2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.849 -10.618 -0.847 1.00 0.00 H new ATOM 1477 N THR A 98 3.508 -10.034 -3.557 1.00 0.00 N ATOM 1478 CA THR A 98 4.542 -9.234 -4.204 1.00 0.00 C ATOM 1479 C THR A 98 4.194 -8.967 -5.665 1.00 0.00 C ATOM 1480 O THR A 98 3.918 -9.893 -6.427 1.00 0.00 O ATOM 1481 CB THR A 98 5.894 -9.943 -4.112 1.00 0.00 C ATOM 1482 OG1 THR A 98 5.725 -11.349 -4.116 1.00 0.00 O ATOM 1483 CG2 THR A 98 6.678 -9.578 -2.870 1.00 0.00 C ATOM 0 H THR A 98 3.640 -11.042 -3.641 1.00 0.00 H new ATOM 0 HA THR A 98 4.603 -8.277 -3.685 1.00 0.00 H new ATOM 0 HB THR A 98 6.454 -9.611 -4.986 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.601 -11.784 -4.058 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.626 -10.116 -2.867 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.869 -8.505 -2.863 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.104 -9.850 -1.984 1.00 0.00 H new ATOM 1491 N TYR A 99 4.210 -7.694 -6.047 1.00 0.00 N ATOM 1492 CA TYR A 99 3.897 -7.302 -7.417 1.00 0.00 C ATOM 1493 C TYR A 99 5.037 -7.666 -8.362 1.00 0.00 C ATOM 1494 O TYR A 99 6.033 -8.261 -7.951 1.00 0.00 O ATOM 1495 CB TYR A 99 3.628 -5.799 -7.490 1.00 0.00 C ATOM 1496 CG TYR A 99 2.190 -5.423 -7.215 1.00 0.00 C ATOM 1497 CD1 TYR A 99 1.480 -6.026 -6.184 1.00 0.00 C ATOM 1498 CD2 TYR A 99 1.545 -4.463 -7.983 1.00 0.00 C ATOM 1499 CE1 TYR A 99 0.167 -5.682 -5.927 1.00 0.00 C ATOM 1500 CE2 TYR A 99 0.231 -4.113 -7.732 1.00 0.00 C ATOM 1501 CZ TYR A 99 -0.453 -4.726 -6.703 1.00 0.00 C ATOM 1502 OH TYR A 99 -1.759 -4.379 -6.448 1.00 0.00 O ATOM 0 H TYR A 99 4.436 -6.916 -5.427 1.00 0.00 H new ATOM 0 HA TYR A 99 3.003 -7.843 -7.726 1.00 0.00 H new ATOM 0 HB2 TYR A 99 4.271 -5.289 -6.773 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.906 -5.437 -8.480 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.962 -6.775 -5.574 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.078 -3.982 -8.790 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -0.371 -6.160 -5.122 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.257 -3.364 -8.338 1.00 0.00 H new ATOM 0 HH TYR A 99 -2.235 -5.150 -6.074 1.00 0.00 H new ATOM 1512 N SER A 100 4.883 -7.300 -9.630 1.00 0.00 N ATOM 1513 CA SER A 100 5.899 -7.582 -10.637 1.00 0.00 C ATOM 1514 C SER A 100 6.598 -6.298 -11.076 1.00 0.00 C ATOM 1515 O SER A 100 7.751 -6.323 -11.506 1.00 0.00 O ATOM 1516 CB SER A 100 5.271 -8.274 -11.847 1.00 0.00 C ATOM 1517 OG SER A 100 3.947 -7.817 -12.067 1.00 0.00 O ATOM 0 H SER A 100 4.064 -6.807 -9.985 1.00 0.00 H new ATOM 0 HA SER A 100 6.641 -8.246 -10.194 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.876 -8.084 -12.733 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.265 -9.353 -11.690 1.00 0.00 H new ATOM 0 HG SER A 100 3.569 -8.274 -12.847 1.00 0.00 H new ATOM 1523 N GLY A 101 5.891 -5.176 -10.966 1.00 0.00 N ATOM 1524 CA GLY A 101 6.460 -3.900 -11.355 1.00 0.00 C ATOM 1525 C GLY A 101 5.455 -2.768 -11.274 1.00 0.00 C ATOM 1526 O GLY A 101 4.323 -2.901 -11.740 1.00 0.00 O ATOM 0 H GLY A 101 4.935 -5.129 -10.614 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.310 -3.674 -10.712 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.841 -3.971 -12.374 1.00 0.00 H new ATOM 1530 N SER A 102 5.867 -1.653 -10.680 1.00 0.00 N ATOM 1531 CA SER A 102 4.993 -0.495 -10.539 1.00 0.00 C ATOM 1532 C SER A 102 5.228 0.507 -11.665 1.00 0.00 C ATOM 1533 O SER A 102 6.184 0.382 -12.430 1.00 0.00 O ATOM 1534 CB SER A 102 5.223 0.179 -9.184 1.00 0.00 C ATOM 1535 OG SER A 102 3.994 0.531 -8.574 1.00 0.00 O ATOM 0 H SER A 102 6.801 -1.527 -10.289 1.00 0.00 H new ATOM 0 HA SER A 102 3.961 -0.841 -10.596 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.778 -0.493 -8.530 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.835 1.071 -9.317 1.00 0.00 H new ATOM 0 HG SER A 102 4.106 0.554 -7.601 1.00 0.00 H new ATOM 1541 N ARG A 103 4.349 1.500 -11.762 1.00 0.00 N ATOM 1542 CA ARG A 103 4.463 2.522 -12.796 1.00 0.00 C ATOM 1543 C ARG A 103 3.399 3.601 -12.621 1.00 0.00 C ATOM 1544 O ARG A 103 3.682 4.792 -12.752 1.00 0.00 O ATOM 1545 CB ARG A 103 4.340 1.889 -14.184 1.00 0.00 C ATOM 1546 CG ARG A 103 3.032 1.145 -14.399 1.00 0.00 C ATOM 1547 CD ARG A 103 3.170 0.076 -15.471 1.00 0.00 C ATOM 1548 NE ARG A 103 2.710 0.546 -16.776 1.00 0.00 N ATOM 1549 CZ ARG A 103 2.496 -0.253 -17.818 1.00 0.00 C ATOM 1550 NH1 ARG A 103 2.698 -1.561 -17.713 1.00 0.00 N ATOM 1551 NH2 ARG A 103 2.078 0.256 -18.969 1.00 0.00 N ATOM 0 H ARG A 103 3.551 1.618 -11.138 1.00 0.00 H new ATOM 0 HA ARG A 103 5.444 2.988 -12.701 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.433 2.669 -14.940 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.170 1.199 -14.334 1.00 0.00 H new ATOM 0 HG2 ARG A 103 2.716 0.685 -13.463 1.00 0.00 H new ATOM 0 HG3 ARG A 103 2.253 1.851 -14.686 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.213 -0.232 -15.544 1.00 0.00 H new ATOM 0 HD3 ARG A 103 2.597 -0.805 -15.180 1.00 0.00 H new ATOM 0 HE ARG A 103 2.543 1.545 -16.895 1.00 0.00 H new ATOM 0 HH11 ARG A 103 3.019 -1.958 -16.830 1.00 0.00 H new ATOM 0 HH12 ARG A 103 2.532 -2.169 -18.515 1.00 0.00 H new ATOM 0 HH21 ARG A 103 1.921 1.260 -19.055 1.00 0.00 H new ATOM 0 HH22 ARG A 103 1.914 -0.357 -19.768 1.00 0.00 H new ATOM 1565 N THR A 104 2.173 3.179 -12.326 1.00 0.00 N ATOM 1566 CA THR A 104 1.069 4.113 -12.136 1.00 0.00 C ATOM 1567 C THR A 104 0.056 3.567 -11.134 1.00 0.00 C ATOM 1568 O THR A 104 -0.140 2.356 -11.032 1.00 0.00 O ATOM 1569 CB THR A 104 0.382 4.397 -13.472 1.00 0.00 C ATOM 1570 OG1 THR A 104 1.336 4.735 -14.464 1.00 0.00 O ATOM 1571 CG2 THR A 104 -0.625 5.525 -13.401 1.00 0.00 C ATOM 0 H THR A 104 1.920 2.197 -12.214 1.00 0.00 H new ATOM 0 HA THR A 104 1.477 5.042 -11.739 1.00 0.00 H new ATOM 0 HB THR A 104 -0.145 3.477 -13.726 1.00 0.00 H new ATOM 0 HG1 THR A 104 0.878 4.912 -15.312 1.00 0.00 H new ATOM 0 HG21 THR A 104 -1.075 5.673 -14.383 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.403 5.274 -12.680 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.124 6.441 -13.089 1.00 0.00 H new ATOM 1579 N VAL A 105 -0.585 4.469 -10.397 1.00 0.00 N ATOM 1580 CA VAL A 105 -1.577 4.081 -9.401 1.00 0.00 C ATOM 1581 C VAL A 105 -2.759 3.362 -10.043 1.00 0.00 C ATOM 1582 O VAL A 105 -3.414 2.539 -9.406 1.00 0.00 O ATOM 1583 CB VAL A 105 -2.100 5.303 -8.622 1.00 0.00 C ATOM 1584 CG1 VAL A 105 -1.074 5.763 -7.598 1.00 0.00 C ATOM 1585 CG2 VAL A 105 -2.456 6.433 -9.576 1.00 0.00 C ATOM 0 H VAL A 105 -0.435 5.475 -10.471 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.076 3.403 -8.711 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.005 5.011 -8.089 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.461 6.627 -7.058 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.874 4.955 -6.895 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.150 6.038 -8.107 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.823 7.287 -9.007 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.570 6.726 -10.139 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.230 6.097 -10.266 1.00 0.00 H new ATOM 1595 N GLU A 106 -3.029 3.677 -11.306 1.00 0.00 N ATOM 1596 CA GLU A 106 -4.137 3.058 -12.027 1.00 0.00 C ATOM 1597 C GLU A 106 -3.984 1.540 -12.063 1.00 0.00 C ATOM 1598 O GLU A 106 -4.969 0.805 -11.994 1.00 0.00 O ATOM 1599 CB GLU A 106 -4.218 3.609 -13.452 1.00 0.00 C ATOM 1600 CG GLU A 106 -3.007 3.271 -14.306 1.00 0.00 C ATOM 1601 CD GLU A 106 -2.965 4.062 -15.598 1.00 0.00 C ATOM 1602 OE1 GLU A 106 -3.431 5.221 -15.600 1.00 0.00 O ATOM 1603 OE2 GLU A 106 -2.465 3.524 -16.608 1.00 0.00 O ATOM 0 H GLU A 106 -2.497 4.356 -11.851 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.060 3.299 -11.499 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.113 3.216 -13.934 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.330 4.692 -13.408 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.099 3.466 -13.735 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.016 2.206 -14.537 1.00 0.00 H new ATOM 1610 N ASP A 107 -2.743 1.078 -12.170 1.00 0.00 N ATOM 1611 CA ASP A 107 -2.462 -0.353 -12.214 1.00 0.00 C ATOM 1612 C ASP A 107 -2.594 -0.975 -10.827 1.00 0.00 C ATOM 1613 O ASP A 107 -2.926 -2.152 -10.693 1.00 0.00 O ATOM 1614 CB ASP A 107 -1.057 -0.601 -12.765 1.00 0.00 C ATOM 1615 CG ASP A 107 -0.832 -2.051 -13.144 1.00 0.00 C ATOM 1616 OD1 ASP A 107 -1.652 -2.598 -13.912 1.00 0.00 O ATOM 1617 OD2 ASP A 107 0.164 -2.641 -12.674 1.00 0.00 O ATOM 0 H ASP A 107 -1.916 1.673 -12.228 1.00 0.00 H new ATOM 0 HA ASP A 107 -3.192 -0.822 -12.874 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.896 0.029 -13.640 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.320 -0.305 -12.019 1.00 0.00 H new ATOM 1622 N LEU A 108 -2.330 -0.175 -9.798 1.00 0.00 N ATOM 1623 CA LEU A 108 -2.419 -0.647 -8.421 1.00 0.00 C ATOM 1624 C LEU A 108 -3.871 -0.881 -8.017 1.00 0.00 C ATOM 1625 O LEU A 108 -4.221 -1.948 -7.515 1.00 0.00 O ATOM 1626 CB LEU A 108 -1.767 0.364 -7.473 1.00 0.00 C ATOM 1627 CG LEU A 108 -1.922 0.053 -5.983 1.00 0.00 C ATOM 1628 CD1 LEU A 108 -1.250 -1.267 -5.640 1.00 0.00 C ATOM 1629 CD2 LEU A 108 -1.345 1.182 -5.142 1.00 0.00 C ATOM 0 H LEU A 108 -2.053 0.802 -9.892 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.887 -1.596 -8.352 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.704 0.424 -7.707 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.192 1.348 -7.669 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.985 -0.036 -5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -1.371 -1.471 -4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.708 -2.070 -6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.188 -1.208 -5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.463 0.945 -4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.286 1.302 -5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.872 2.109 -5.367 1.00 0.00 H new ATOM 1641 N ILE A 109 -4.711 0.124 -8.238 1.00 0.00 N ATOM 1642 CA ILE A 109 -6.125 0.032 -7.897 1.00 0.00 C ATOM 1643 C ILE A 109 -6.787 -1.152 -8.598 1.00 0.00 C ATOM 1644 O ILE A 109 -7.533 -1.912 -7.981 1.00 0.00 O ATOM 1645 CB ILE A 109 -6.874 1.327 -8.273 1.00 0.00 C ATOM 1646 CG1 ILE A 109 -8.356 1.222 -7.894 1.00 0.00 C ATOM 1647 CG2 ILE A 109 -6.714 1.615 -9.759 1.00 0.00 C ATOM 1648 CD1 ILE A 109 -9.194 2.383 -8.385 1.00 0.00 C ATOM 0 H ILE A 109 -4.436 1.014 -8.653 1.00 0.00 H new ATOM 0 HA ILE A 109 -6.184 -0.114 -6.818 1.00 0.00 H new ATOM 0 HB ILE A 109 -6.441 2.156 -7.713 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.761 0.295 -8.301 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.441 1.158 -6.809 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -7.247 2.531 -10.011 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -5.656 1.734 -9.995 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -7.124 0.786 -10.336 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -10.230 2.239 -8.079 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.815 3.311 -7.958 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.141 2.436 -9.472 1.00 0.00 H new ATOM 1660 N LYS A 110 -6.513 -1.300 -9.890 1.00 0.00 N ATOM 1661 CA LYS A 110 -7.087 -2.389 -10.672 1.00 0.00 C ATOM 1662 C LYS A 110 -6.712 -3.744 -10.080 1.00 0.00 C ATOM 1663 O LYS A 110 -7.574 -4.594 -9.849 1.00 0.00 O ATOM 1664 CB LYS A 110 -6.614 -2.306 -12.125 1.00 0.00 C ATOM 1665 CG LYS A 110 -7.544 -2.996 -13.109 1.00 0.00 C ATOM 1666 CD LYS A 110 -7.288 -2.535 -14.534 1.00 0.00 C ATOM 1667 CE LYS A 110 -8.505 -2.754 -15.418 1.00 0.00 C ATOM 1668 NZ LYS A 110 -9.312 -1.512 -15.570 1.00 0.00 N ATOM 0 H LYS A 110 -5.898 -0.680 -10.417 1.00 0.00 H new ATOM 0 HA LYS A 110 -8.172 -2.289 -10.643 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.514 -1.258 -12.406 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.622 -2.752 -12.201 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.407 -4.075 -13.045 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.580 -2.789 -12.839 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.023 -1.478 -14.533 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.436 -3.077 -14.945 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.183 -3.100 -16.400 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -9.127 -3.541 -14.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -10.132 -1.704 -16.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -9.641 -1.195 -14.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -8.727 -0.768 -16.001 1.00 0.00 H new ATOM 1682 N PHE A 111 -5.420 -3.940 -9.837 1.00 0.00 N ATOM 1683 CA PHE A 111 -4.929 -5.193 -9.272 1.00 0.00 C ATOM 1684 C PHE A 111 -5.626 -5.509 -7.952 1.00 0.00 C ATOM 1685 O PHE A 111 -6.162 -6.602 -7.769 1.00 0.00 O ATOM 1686 CB PHE A 111 -3.415 -5.120 -9.060 1.00 0.00 C ATOM 1687 CG PHE A 111 -2.684 -6.348 -9.522 1.00 0.00 C ATOM 1688 CD1 PHE A 111 -2.507 -6.598 -10.873 1.00 0.00 C ATOM 1689 CD2 PHE A 111 -2.174 -7.252 -8.604 1.00 0.00 C ATOM 1690 CE1 PHE A 111 -1.834 -7.727 -11.301 1.00 0.00 C ATOM 1691 CE2 PHE A 111 -1.501 -8.383 -9.026 1.00 0.00 C ATOM 1692 CZ PHE A 111 -1.330 -8.620 -10.376 1.00 0.00 C ATOM 0 H PHE A 111 -4.694 -3.248 -10.022 1.00 0.00 H new ATOM 0 HA PHE A 111 -5.153 -5.993 -9.978 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -3.023 -4.253 -9.591 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -3.212 -4.963 -8.001 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.899 -5.903 -11.600 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.304 -7.071 -7.547 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -1.703 -7.910 -12.357 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.109 -9.081 -8.301 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.803 -9.502 -10.708 1.00 0.00 H new ATOM 1702 N ILE A 112 -5.618 -4.545 -7.035 1.00 0.00 N ATOM 1703 CA ILE A 112 -6.250 -4.719 -5.731 1.00 0.00 C ATOM 1704 C ILE A 112 -7.683 -5.223 -5.880 1.00 0.00 C ATOM 1705 O ILE A 112 -8.190 -5.948 -5.024 1.00 0.00 O ATOM 1706 CB ILE A 112 -6.256 -3.403 -4.925 1.00 0.00 C ATOM 1707 CG1 ILE A 112 -4.830 -2.868 -4.768 1.00 0.00 C ATOM 1708 CG2 ILE A 112 -6.899 -3.610 -3.559 1.00 0.00 C ATOM 1709 CD1 ILE A 112 -4.762 -1.361 -4.643 1.00 0.00 C ATOM 0 H ILE A 112 -5.180 -3.634 -7.172 1.00 0.00 H new ATOM 0 HA ILE A 112 -5.662 -5.460 -5.190 1.00 0.00 H new ATOM 0 HB ILE A 112 -6.846 -2.668 -5.473 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.376 -3.319 -3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -4.236 -3.181 -5.627 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -6.893 -2.670 -3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -7.927 -3.948 -3.688 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -6.338 -4.361 -3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.722 -1.051 -4.535 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.186 -0.902 -5.536 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.328 -1.043 -3.768 1.00 0.00 H new ATOM 1721 N ALA A 113 -8.329 -4.839 -6.975 1.00 0.00 N ATOM 1722 CA ALA A 113 -9.700 -5.258 -7.237 1.00 0.00 C ATOM 1723 C ALA A 113 -9.745 -6.709 -7.703 1.00 0.00 C ATOM 1724 O ALA A 113 -10.737 -7.408 -7.496 1.00 0.00 O ATOM 1725 CB ALA A 113 -10.344 -4.346 -8.270 1.00 0.00 C ATOM 0 H ALA A 113 -7.926 -4.239 -7.695 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.264 -5.183 -6.307 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -11.368 -4.672 -8.455 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -10.351 -3.322 -7.897 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -9.776 -4.390 -9.199 1.00 0.00 H new ATOM 1731 N GLU A 114 -8.663 -7.157 -8.333 1.00 0.00 N ATOM 1732 CA GLU A 114 -8.578 -8.525 -8.828 1.00 0.00 C ATOM 1733 C GLU A 114 -8.145 -9.484 -7.721 1.00 0.00 C ATOM 1734 O GLU A 114 -8.629 -10.613 -7.643 1.00 0.00 O ATOM 1735 CB GLU A 114 -7.597 -8.606 -9.999 1.00 0.00 C ATOM 1736 CG GLU A 114 -7.793 -7.509 -11.033 1.00 0.00 C ATOM 1737 CD GLU A 114 -7.736 -8.030 -12.455 1.00 0.00 C ATOM 1738 OE1 GLU A 114 -8.550 -8.914 -12.797 1.00 0.00 O ATOM 1739 OE2 GLU A 114 -6.877 -7.556 -13.228 1.00 0.00 O ATOM 0 H GLU A 114 -7.833 -6.592 -8.512 1.00 0.00 H new ATOM 0 HA GLU A 114 -9.570 -8.820 -9.170 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.579 -8.553 -9.614 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.704 -9.576 -10.485 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.755 -7.025 -10.866 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.025 -6.747 -10.898 1.00 0.00 H new ATOM 1746 N ASN A 115 -7.231 -9.029 -6.869 1.00 0.00 N ATOM 1747 CA ASN A 115 -6.736 -9.852 -5.770 1.00 0.00 C ATOM 1748 C ASN A 115 -7.552 -9.623 -4.501 1.00 0.00 C ATOM 1749 O ASN A 115 -7.918 -10.571 -3.807 1.00 0.00 O ATOM 1750 CB ASN A 115 -5.259 -9.555 -5.501 1.00 0.00 C ATOM 1751 CG ASN A 115 -4.989 -8.078 -5.299 1.00 0.00 C ATOM 1752 OD1 ASN A 115 -5.405 -7.489 -4.301 1.00 0.00 O ATOM 1753 ND2 ASN A 115 -4.287 -7.471 -6.248 1.00 0.00 N ATOM 0 H ASN A 115 -6.819 -8.097 -6.918 1.00 0.00 H new ATOM 0 HA ASN A 115 -6.841 -10.897 -6.063 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -4.937 -10.104 -4.616 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -4.661 -9.919 -6.337 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.072 -6.477 -6.167 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -3.962 -7.998 -7.058 1.00 0.00 H new ATOM 1760 N GLY A 116 -7.830 -8.358 -4.203 1.00 0.00 N ATOM 1761 CA GLY A 116 -8.598 -8.028 -3.016 1.00 0.00 C ATOM 1762 C GLY A 116 -10.081 -8.290 -3.190 1.00 0.00 C ATOM 1763 O GLY A 116 -10.659 -7.963 -4.226 1.00 0.00 O ATOM 0 H GLY A 116 -7.538 -7.556 -4.761 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.226 -8.611 -2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -8.445 -6.977 -2.769 1.00 0.00 H new ATOM 1767 N LYS A 117 -10.698 -8.882 -2.172 1.00 0.00 N ATOM 1768 CA LYS A 117 -12.123 -9.189 -2.215 1.00 0.00 C ATOM 1769 C LYS A 117 -12.956 -7.953 -1.888 1.00 0.00 C ATOM 1770 O LYS A 117 -14.059 -7.781 -2.407 1.00 0.00 O ATOM 1771 CB LYS A 117 -12.454 -10.315 -1.233 1.00 0.00 C ATOM 1772 CG LYS A 117 -11.896 -10.089 0.163 1.00 0.00 C ATOM 1773 CD LYS A 117 -12.863 -10.568 1.234 1.00 0.00 C ATOM 1774 CE LYS A 117 -12.589 -12.011 1.626 1.00 0.00 C ATOM 1775 NZ LYS A 117 -13.843 -12.747 1.946 1.00 0.00 N ATOM 0 H LYS A 117 -10.233 -9.159 -1.307 1.00 0.00 H new ATOM 0 HA LYS A 117 -12.368 -9.514 -3.226 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -13.537 -10.423 -1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -12.062 -11.254 -1.624 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -10.947 -10.615 0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -11.689 -9.028 0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -12.780 -9.929 2.113 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -13.886 -10.477 0.869 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -12.069 -12.516 0.812 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -11.925 -12.033 2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -13.613 -13.727 2.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -14.327 -12.280 2.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -14.467 -12.749 1.114 1.00 0.00 H new ATOM 1789 N TYR A 118 -12.420 -7.096 -1.025 1.00 0.00 N ATOM 1790 CA TYR A 118 -13.114 -5.876 -0.628 1.00 0.00 C ATOM 1791 C TYR A 118 -13.299 -4.943 -1.821 1.00 0.00 C ATOM 1792 O TYR A 118 -14.273 -4.194 -1.891 1.00 0.00 O ATOM 1793 CB TYR A 118 -12.338 -5.160 0.479 1.00 0.00 C ATOM 1794 CG TYR A 118 -12.778 -5.545 1.873 1.00 0.00 C ATOM 1795 CD1 TYR A 118 -12.926 -6.879 2.232 1.00 0.00 C ATOM 1796 CD2 TYR A 118 -13.047 -4.575 2.830 1.00 0.00 C ATOM 1797 CE1 TYR A 118 -13.329 -7.235 3.504 1.00 0.00 C ATOM 1798 CE2 TYR A 118 -13.450 -4.923 4.106 1.00 0.00 C ATOM 1799 CZ TYR A 118 -13.589 -6.254 4.437 1.00 0.00 C ATOM 1800 OH TYR A 118 -13.991 -6.605 5.706 1.00 0.00 O ATOM 0 H TYR A 118 -11.508 -7.224 -0.587 1.00 0.00 H new ATOM 0 HA TYR A 118 -14.098 -6.154 -0.251 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -11.276 -5.381 0.368 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -12.454 -4.083 0.355 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -12.722 -7.650 1.504 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -12.940 -3.531 2.573 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -13.440 -8.277 3.767 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -13.655 -4.157 4.839 1.00 0.00 H new ATOM 0 HH TYR A 118 -13.478 -6.093 6.365 1.00 0.00 H new