USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 622 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 Single : A 11 ASN : amide:sc= 0.666 K(o=0.67,f=-1!) USER MOD Single : A 18 TYR OH : rot 180:sc= -1.41! USER MOD Single : A 23 THR OG1 : rot 130:sc= -0.531 USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= 0.826 (180deg=0.0124!) USER MOD Single : A 25 GLN : amide:sc= -0.022 X(o=-0.022,f=-0.47) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0156 K(o=-0.016,f=-0.87) USER MOD Single : A 67 SER OG : rot -46:sc= 0.367 USER MOD Single : A 70 HIS : no HD1:sc= 0.0935 K(o=0.13,f=-5!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.349 USER MOD Single : A 76 LYS NZ :NH3+ 168:sc= -0.275 (180deg=-0.656) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 0:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0.0475 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 134:sc= 1.1 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot -37:sc= -0.0793 USER MOD Single : A 103 CYS SG : rot 146:sc= 0.967 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.028 X(o=-0.028,f=-0.14) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 67:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 130 N ASN A 11 -13.776 6.646 1.018 1.00 0.00 N ATOM 131 CA ASN A 11 -12.812 7.080 2.040 1.00 0.00 C ATOM 132 C ASN A 11 -13.558 7.269 3.349 1.00 0.00 C ATOM 133 O ASN A 11 -13.063 6.949 4.431 1.00 0.00 O ATOM 134 CB ASN A 11 -12.126 8.396 1.612 1.00 0.00 C ATOM 135 CG ASN A 11 -10.950 8.806 2.510 1.00 0.00 C ATOM 136 OD1 ASN A 11 -10.916 8.518 3.704 1.00 0.00 O ATOM 137 ND2 ASN A 11 -9.977 9.488 1.929 1.00 0.00 N ATOM 0 HA ASN A 11 -12.034 6.326 2.162 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.769 8.291 0.588 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.866 9.196 1.611 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.170 9.790 2.474 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.034 9.712 0.936 1.00 0.00 H new ATOM 144 N ALA A 12 -14.763 7.784 3.235 1.00 0.00 N ATOM 145 CA ALA A 12 -15.630 7.951 4.367 1.00 0.00 C ATOM 146 C ALA A 12 -16.513 6.722 4.488 1.00 0.00 C ATOM 147 O ALA A 12 -17.137 6.304 3.514 1.00 0.00 O ATOM 148 CB ALA A 12 -16.476 9.207 4.208 1.00 0.00 C ATOM 0 H ALA A 12 -15.164 8.097 2.351 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.035 8.064 5.274 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.128 9.319 5.075 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -15.824 10.077 4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -17.083 9.125 3.306 1.00 0.00 H new ATOM 154 N VAL A 13 -16.570 6.144 5.665 1.00 0.00 N ATOM 155 CA VAL A 13 -17.336 4.934 5.850 1.00 0.00 C ATOM 156 C VAL A 13 -18.536 5.191 6.732 1.00 0.00 C ATOM 157 O VAL A 13 -18.544 6.130 7.531 1.00 0.00 O ATOM 158 CB VAL A 13 -16.486 3.800 6.474 1.00 0.00 C ATOM 159 CG1 VAL A 13 -15.205 3.581 5.692 1.00 0.00 C ATOM 160 CG2 VAL A 13 -16.196 4.063 7.943 1.00 0.00 C ATOM 0 H VAL A 13 -16.100 6.488 6.502 1.00 0.00 H new ATOM 0 HA VAL A 13 -17.665 4.616 4.861 1.00 0.00 H new ATOM 0 HB VAL A 13 -17.072 2.883 6.416 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.629 2.779 6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.448 3.308 4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.616 4.498 5.694 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.598 3.247 8.348 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.647 5.000 8.044 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -17.135 4.132 8.493 1.00 0.00 H new ATOM 170 N VAL A 14 -19.542 4.374 6.586 1.00 0.00 N ATOM 171 CA VAL A 14 -20.725 4.502 7.385 1.00 0.00 C ATOM 172 C VAL A 14 -20.672 3.500 8.516 1.00 0.00 C ATOM 173 O VAL A 14 -20.634 2.288 8.289 1.00 0.00 O ATOM 174 CB VAL A 14 -22.005 4.269 6.550 1.00 0.00 C ATOM 175 CG1 VAL A 14 -23.254 4.426 7.416 1.00 0.00 C ATOM 176 CG2 VAL A 14 -22.051 5.223 5.361 1.00 0.00 C ATOM 0 H VAL A 14 -19.564 3.607 5.914 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.762 5.518 7.778 1.00 0.00 H new ATOM 0 HB VAL A 14 -21.982 3.248 6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -24.142 4.258 6.807 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -23.227 3.699 8.228 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -23.284 5.433 7.831 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -22.959 5.044 4.785 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -22.046 6.252 5.720 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -21.181 5.056 4.727 1.00 0.00 H new ATOM 186 N VAL A 15 -20.641 4.007 9.727 1.00 0.00 N ATOM 187 CA VAL A 15 -20.578 3.173 10.899 1.00 0.00 C ATOM 188 C VAL A 15 -21.954 3.077 11.529 1.00 0.00 C ATOM 189 O VAL A 15 -22.557 4.095 11.880 1.00 0.00 O ATOM 190 CB VAL A 15 -19.581 3.738 11.937 1.00 0.00 C ATOM 191 CG1 VAL A 15 -19.460 2.812 13.140 1.00 0.00 C ATOM 192 CG2 VAL A 15 -18.219 4.000 11.302 1.00 0.00 C ATOM 0 H VAL A 15 -20.659 5.008 9.924 1.00 0.00 H new ATOM 0 HA VAL A 15 -20.235 2.185 10.593 1.00 0.00 H new ATOM 0 HB VAL A 15 -19.971 4.692 12.291 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -18.753 3.234 13.854 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -20.435 2.704 13.616 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -19.106 1.835 12.813 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.537 4.397 12.054 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.818 3.068 10.904 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -18.328 4.723 10.493 1.00 0.00 H new ATOM 202 N PHE A 16 -22.453 1.868 11.659 1.00 0.00 N ATOM 203 CA PHE A 16 -23.750 1.642 12.249 1.00 0.00 C ATOM 204 C PHE A 16 -23.691 0.497 13.243 1.00 0.00 C ATOM 205 O PHE A 16 -22.793 -0.350 13.177 1.00 0.00 O ATOM 206 CB PHE A 16 -24.809 1.373 11.162 1.00 0.00 C ATOM 207 CG PHE A 16 -24.519 0.177 10.285 1.00 0.00 C ATOM 208 CD1 PHE A 16 -24.934 -1.092 10.653 1.00 0.00 C ATOM 209 CD2 PHE A 16 -23.834 0.330 9.087 1.00 0.00 C ATOM 210 CE1 PHE A 16 -24.669 -2.184 9.848 1.00 0.00 C ATOM 211 CE2 PHE A 16 -23.570 -0.757 8.280 1.00 0.00 C ATOM 212 CZ PHE A 16 -23.987 -2.016 8.661 1.00 0.00 C ATOM 0 H PHE A 16 -21.973 1.019 11.360 1.00 0.00 H new ATOM 0 HA PHE A 16 -24.043 2.544 12.785 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -25.776 1.228 11.643 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -24.896 2.257 10.531 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -25.471 -1.230 11.580 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -23.504 1.312 8.783 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.996 -3.169 10.148 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -23.037 -0.623 7.350 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.780 -2.868 8.031 1.00 0.00 H new ATOM 222 N GLY A 17 -24.637 0.474 14.159 1.00 0.00 N ATOM 223 CA GLY A 17 -24.667 -0.566 15.163 1.00 0.00 C ATOM 224 C GLY A 17 -24.457 -0.017 16.556 1.00 0.00 C ATOM 225 O GLY A 17 -24.457 -0.766 17.532 1.00 0.00 O ATOM 0 H GLY A 17 -25.390 1.159 14.228 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -25.625 -1.085 15.119 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -23.895 -1.303 14.944 1.00 0.00 H new ATOM 229 N TYR A 18 -24.288 1.291 16.649 1.00 0.00 N ATOM 230 CA TYR A 18 -24.086 1.942 17.925 1.00 0.00 C ATOM 231 C TYR A 18 -25.348 2.685 18.329 1.00 0.00 C ATOM 232 O TYR A 18 -26.286 2.807 17.540 1.00 0.00 O ATOM 233 CB TYR A 18 -22.903 2.925 17.864 1.00 0.00 C ATOM 234 CG TYR A 18 -23.152 4.147 17.003 1.00 0.00 C ATOM 235 CD1 TYR A 18 -22.995 4.109 15.625 1.00 0.00 C ATOM 236 CD2 TYR A 18 -23.560 5.340 17.584 1.00 0.00 C ATOM 237 CE1 TYR A 18 -23.237 5.229 14.855 1.00 0.00 C ATOM 238 CE2 TYR A 18 -23.805 6.455 16.826 1.00 0.00 C ATOM 239 CZ TYR A 18 -23.645 6.401 15.464 1.00 0.00 C ATOM 240 OH TYR A 18 -23.900 7.516 14.707 1.00 0.00 O ATOM 0 H TYR A 18 -24.287 1.923 15.849 1.00 0.00 H new ATOM 0 HA TYR A 18 -23.858 1.176 18.666 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -22.664 3.251 18.876 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -22.028 2.399 17.483 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -22.680 3.192 15.149 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -23.687 5.390 18.655 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -23.108 5.190 13.783 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -24.123 7.373 17.299 1.00 0.00 H new ATOM 0 HH TYR A 18 -24.178 8.252 15.292 1.00 0.00 H new ATOM 250 N ARG A 19 -25.368 3.179 19.547 1.00 0.00 N ATOM 251 CA ARG A 19 -26.494 3.932 20.052 1.00 0.00 C ATOM 252 C ARG A 19 -25.995 5.091 20.891 1.00 0.00 C ATOM 253 O ARG A 19 -24.840 5.082 21.343 1.00 0.00 O ATOM 254 CB ARG A 19 -27.442 3.026 20.855 1.00 0.00 C ATOM 255 CG ARG A 19 -26.825 2.392 22.092 1.00 0.00 C ATOM 256 CD ARG A 19 -27.814 1.445 22.755 1.00 0.00 C ATOM 257 NE ARG A 19 -27.243 0.754 23.914 1.00 0.00 N ATOM 258 CZ ARG A 19 -27.604 -0.481 24.303 1.00 0.00 C ATOM 259 NH1 ARG A 19 -28.572 -1.138 23.650 1.00 0.00 N ATOM 260 NH2 ARG A 19 -27.005 -1.052 25.346 1.00 0.00 N ATOM 0 H ARG A 19 -24.605 3.070 20.215 1.00 0.00 H new ATOM 0 HA ARG A 19 -27.062 4.331 19.212 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -28.310 3.611 21.159 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -27.805 2.233 20.201 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -25.921 1.849 21.817 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -26.528 3.169 22.797 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -28.694 2.006 23.069 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -28.149 0.707 22.026 1.00 0.00 H new ATOM 0 HE ARG A 19 -26.529 1.239 24.458 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -29.038 -0.701 22.855 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -28.843 -2.075 23.948 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -26.272 -0.552 25.850 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -27.279 -1.989 25.641 1.00 0.00 H new ATOM 274 N GLU A 20 -26.846 6.084 21.097 1.00 0.00 N ATOM 275 CA GLU A 20 -26.469 7.274 21.854 1.00 0.00 C ATOM 276 C GLU A 20 -26.455 6.971 23.359 1.00 0.00 C ATOM 277 O GLU A 20 -27.222 7.543 24.138 1.00 0.00 O ATOM 278 CB GLU A 20 -27.430 8.425 21.522 1.00 0.00 C ATOM 279 CG GLU A 20 -26.962 9.795 21.990 1.00 0.00 C ATOM 280 CD GLU A 20 -27.924 10.890 21.599 1.00 0.00 C ATOM 281 OE1 GLU A 20 -28.899 11.125 22.340 1.00 0.00 O ATOM 282 OE2 GLU A 20 -27.713 11.531 20.550 1.00 0.00 O ATOM 0 H GLU A 20 -27.805 6.092 20.751 1.00 0.00 H new ATOM 0 HA GLU A 20 -25.461 7.577 21.571 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -27.580 8.456 20.443 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -28.400 8.213 21.973 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -26.845 9.786 23.074 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -25.981 10.007 21.565 1.00 0.00 H new ATOM 289 N ALA A 21 -25.587 6.034 23.744 1.00 0.00 N ATOM 290 CA ALA A 21 -25.444 5.629 25.132 1.00 0.00 C ATOM 291 C ALA A 21 -24.081 4.968 25.394 1.00 0.00 C ATOM 292 O ALA A 21 -23.851 4.410 26.465 1.00 0.00 O ATOM 293 CB ALA A 21 -26.574 4.684 25.518 1.00 0.00 C ATOM 0 H ALA A 21 -24.968 5.540 23.101 1.00 0.00 H new ATOM 0 HA ALA A 21 -25.498 6.526 25.749 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.459 4.386 26.560 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -27.531 5.189 25.389 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -26.542 3.800 24.882 1.00 0.00 H new ATOM 299 N ILE A 22 -23.178 5.029 24.409 1.00 0.00 N ATOM 300 CA ILE A 22 -21.848 4.423 24.548 1.00 0.00 C ATOM 301 C ILE A 22 -20.745 5.389 24.143 1.00 0.00 C ATOM 302 O ILE A 22 -19.621 4.970 23.856 1.00 0.00 O ATOM 303 CB ILE A 22 -21.688 3.137 23.704 1.00 0.00 C ATOM 304 CG1 ILE A 22 -22.043 3.390 22.232 1.00 0.00 C ATOM 305 CG2 ILE A 22 -22.512 2.002 24.277 1.00 0.00 C ATOM 306 CD1 ILE A 22 -21.663 2.250 21.316 1.00 0.00 C ATOM 0 H ILE A 22 -23.341 5.488 23.513 1.00 0.00 H new ATOM 0 HA ILE A 22 -21.758 4.171 25.605 1.00 0.00 H new ATOM 0 HB ILE A 22 -20.640 2.842 23.746 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -23.115 3.569 22.151 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -21.542 4.298 21.896 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -22.380 1.111 23.663 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -22.185 1.793 25.296 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -23.565 2.285 24.285 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -21.943 2.497 20.292 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -20.587 2.085 21.368 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -22.185 1.345 21.626 1.00 0.00 H new ATOM 318 N THR A 23 -21.056 6.672 24.135 1.00 0.00 N ATOM 319 CA THR A 23 -20.108 7.684 23.692 1.00 0.00 C ATOM 320 C THR A 23 -18.848 7.694 24.553 1.00 0.00 C ATOM 321 O THR A 23 -17.735 7.740 24.034 1.00 0.00 O ATOM 322 CB THR A 23 -20.732 9.081 23.711 1.00 0.00 C ATOM 323 OG1 THR A 23 -22.013 9.042 23.059 1.00 0.00 O ATOM 324 CG2 THR A 23 -19.823 10.064 22.987 1.00 0.00 C ATOM 0 H THR A 23 -21.960 7.041 24.431 1.00 0.00 H new ATOM 0 HA THR A 23 -19.837 7.423 22.669 1.00 0.00 H new ATOM 0 HB THR A 23 -20.857 9.404 24.744 1.00 0.00 H new ATOM 0 HG1 THR A 23 -22.685 9.465 23.633 1.00 0.00 H new ATOM 0 HG21 THR A 23 -20.273 11.056 23.004 1.00 0.00 H new ATOM 0 HG22 THR A 23 -18.853 10.097 23.484 1.00 0.00 H new ATOM 0 HG23 THR A 23 -19.690 9.744 21.954 1.00 0.00 H new ATOM 332 N LYS A 24 -19.030 7.619 25.859 1.00 0.00 N ATOM 333 CA LYS A 24 -17.921 7.646 26.792 1.00 0.00 C ATOM 334 C LYS A 24 -16.975 6.472 26.522 1.00 0.00 C ATOM 335 O LYS A 24 -15.772 6.553 26.765 1.00 0.00 O ATOM 336 CB LYS A 24 -18.432 7.547 28.234 1.00 0.00 C ATOM 337 CG LYS A 24 -19.752 8.273 28.519 1.00 0.00 C ATOM 338 CD LYS A 24 -19.719 9.756 28.174 1.00 0.00 C ATOM 339 CE LYS A 24 -21.037 10.414 28.573 1.00 0.00 C ATOM 340 NZ LYS A 24 -21.083 11.858 28.241 1.00 0.00 N ATOM 0 H LYS A 24 -19.946 7.538 26.300 1.00 0.00 H new ATOM 0 HA LYS A 24 -17.388 8.587 26.658 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -18.556 6.494 28.485 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -17.667 7.946 28.900 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -20.550 7.794 27.952 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -19.999 8.159 29.575 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.890 10.240 28.691 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -19.547 9.886 27.105 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -21.859 9.904 28.070 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -21.191 10.287 29.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -22.069 12.187 28.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -20.526 12.392 28.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -20.686 12.009 27.292 1.00 0.00 H new ATOM 354 N GLN A 25 -17.535 5.383 26.015 1.00 0.00 N ATOM 355 CA GLN A 25 -16.782 4.163 25.775 1.00 0.00 C ATOM 356 C GLN A 25 -16.146 4.122 24.371 1.00 0.00 C ATOM 357 O GLN A 25 -14.927 4.208 24.229 1.00 0.00 O ATOM 358 CB GLN A 25 -17.696 2.945 25.945 1.00 0.00 C ATOM 359 CG GLN A 25 -18.394 2.874 27.288 1.00 0.00 C ATOM 360 CD GLN A 25 -17.432 2.761 28.444 1.00 0.00 C ATOM 361 OE1 GLN A 25 -16.362 2.155 28.330 1.00 0.00 O ATOM 362 NE2 GLN A 25 -17.793 3.346 29.558 1.00 0.00 N ATOM 0 H GLN A 25 -18.521 5.321 25.760 1.00 0.00 H new ATOM 0 HA GLN A 25 -15.973 4.143 26.506 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.449 2.957 25.157 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.105 2.039 25.807 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -19.009 3.764 27.420 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.067 2.017 27.297 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -18.686 3.837 29.610 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -17.181 3.311 30.374 1.00 0.00 H new ATOM 371 N ILE A 26 -16.987 4.003 23.340 1.00 0.00 N ATOM 372 CA ILE A 26 -16.518 3.809 21.978 1.00 0.00 C ATOM 373 C ILE A 26 -15.725 5.018 21.448 1.00 0.00 C ATOM 374 O ILE A 26 -14.693 4.852 20.793 1.00 0.00 O ATOM 375 CB ILE A 26 -17.696 3.469 21.016 1.00 0.00 C ATOM 376 CG1 ILE A 26 -17.156 2.896 19.721 1.00 0.00 C ATOM 377 CG2 ILE A 26 -18.561 4.698 20.730 1.00 0.00 C ATOM 378 CD1 ILE A 26 -18.218 2.349 18.800 1.00 0.00 C ATOM 0 H ILE A 26 -18.002 4.039 23.431 1.00 0.00 H new ATOM 0 HA ILE A 26 -15.835 2.960 22.008 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.327 2.727 21.505 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.600 3.673 19.196 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.448 2.101 19.955 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -19.372 4.423 20.056 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -18.977 5.075 21.664 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -17.950 5.473 20.266 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -17.750 1.958 17.897 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -18.759 1.548 19.304 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -18.913 3.145 18.533 1.00 0.00 H new ATOM 390 N LEU A 27 -16.193 6.222 21.757 1.00 0.00 N ATOM 391 CA LEU A 27 -15.559 7.428 21.263 1.00 0.00 C ATOM 392 C LEU A 27 -14.170 7.596 21.865 1.00 0.00 C ATOM 393 O LEU A 27 -13.271 8.075 21.204 1.00 0.00 O ATOM 394 CB LEU A 27 -16.453 8.657 21.501 1.00 0.00 C ATOM 395 CG LEU A 27 -16.035 9.956 20.788 1.00 0.00 C ATOM 396 CD1 LEU A 27 -17.256 10.828 20.535 1.00 0.00 C ATOM 397 CD2 LEU A 27 -15.022 10.727 21.619 1.00 0.00 C ATOM 0 H LEU A 27 -17.009 6.384 22.347 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.430 7.335 20.185 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -17.467 8.407 21.189 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.488 8.852 22.573 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.575 9.689 19.836 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.950 11.745 20.030 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -17.965 10.288 19.908 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -17.728 11.077 21.485 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.742 11.641 21.095 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.461 10.982 22.583 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.136 10.112 21.775 1.00 0.00 H new ATOM 409 N ALA A 28 -14.001 7.180 23.114 1.00 0.00 N ATOM 410 CA ALA A 28 -12.706 7.290 23.788 1.00 0.00 C ATOM 411 C ALA A 28 -11.602 6.564 22.998 1.00 0.00 C ATOM 412 O ALA A 28 -10.442 6.976 23.005 1.00 0.00 O ATOM 413 CB ALA A 28 -12.793 6.724 25.192 1.00 0.00 C ATOM 0 H ALA A 28 -14.739 6.764 23.682 1.00 0.00 H new ATOM 0 HA ALA A 28 -12.448 8.348 23.843 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.823 6.813 25.681 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.539 7.278 25.762 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -13.080 5.674 25.144 1.00 0.00 H new ATOM 419 N TYR A 29 -11.978 5.488 22.333 1.00 0.00 N ATOM 420 CA TYR A 29 -11.044 4.700 21.547 1.00 0.00 C ATOM 421 C TYR A 29 -10.973 5.185 20.087 1.00 0.00 C ATOM 422 O TYR A 29 -9.894 5.272 19.503 1.00 0.00 O ATOM 423 CB TYR A 29 -11.446 3.218 21.598 1.00 0.00 C ATOM 424 CG TYR A 29 -10.593 2.315 20.733 1.00 0.00 C ATOM 425 CD1 TYR A 29 -9.377 1.826 21.190 1.00 0.00 C ATOM 426 CD2 TYR A 29 -11.009 1.954 19.462 1.00 0.00 C ATOM 427 CE1 TYR A 29 -8.598 1.000 20.397 1.00 0.00 C ATOM 428 CE2 TYR A 29 -10.243 1.134 18.665 1.00 0.00 C ATOM 429 CZ TYR A 29 -9.037 0.658 19.132 1.00 0.00 C ATOM 430 OH TYR A 29 -8.268 -0.166 18.337 1.00 0.00 O ATOM 0 H TYR A 29 -12.935 5.136 22.321 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.051 4.824 21.979 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.390 2.873 22.630 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.486 3.124 21.287 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.033 2.094 22.178 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.953 2.323 19.089 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.654 0.626 20.765 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.586 0.865 17.677 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.721 -0.309 17.480 1.00 0.00 H new ATOM 440 N PHE A 30 -12.123 5.504 19.506 1.00 0.00 N ATOM 441 CA PHE A 30 -12.188 5.874 18.091 1.00 0.00 C ATOM 442 C PHE A 30 -11.910 7.354 17.827 1.00 0.00 C ATOM 443 O PHE A 30 -11.794 7.755 16.674 1.00 0.00 O ATOM 444 CB PHE A 30 -13.509 5.446 17.465 1.00 0.00 C ATOM 445 CG PHE A 30 -13.604 3.962 17.206 1.00 0.00 C ATOM 446 CD1 PHE A 30 -14.088 3.103 18.175 1.00 0.00 C ATOM 447 CD2 PHE A 30 -13.201 3.435 15.987 1.00 0.00 C ATOM 448 CE1 PHE A 30 -14.170 1.737 17.934 1.00 0.00 C ATOM 449 CE2 PHE A 30 -13.281 2.080 15.740 1.00 0.00 C ATOM 450 CZ PHE A 30 -13.766 1.229 16.714 1.00 0.00 C ATOM 0 H PHE A 30 -13.022 5.515 19.988 1.00 0.00 H new ATOM 0 HA PHE A 30 -11.379 5.326 17.608 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.326 5.744 18.122 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.645 5.980 16.524 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -14.406 3.498 19.129 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.820 4.094 15.221 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -14.548 1.074 18.698 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.965 1.685 14.786 1.00 0.00 H new ATOM 0 HZ PHE A 30 -13.829 0.168 16.522 1.00 0.00 H new ATOM 460 N ALA A 31 -11.795 8.159 18.884 1.00 0.00 N ATOM 461 CA ALA A 31 -11.498 9.600 18.746 1.00 0.00 C ATOM 462 C ALA A 31 -10.186 9.815 17.994 1.00 0.00 C ATOM 463 O ALA A 31 -9.959 10.869 17.402 1.00 0.00 O ATOM 464 CB ALA A 31 -11.433 10.269 20.109 1.00 0.00 C ATOM 0 H ALA A 31 -11.902 7.845 19.849 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.306 10.054 18.172 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.213 11.329 19.984 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.391 10.154 20.617 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.648 9.804 20.706 1.00 0.00 H new ATOM 470 N GLN A 32 -9.330 8.802 18.036 1.00 0.00 N ATOM 471 CA GLN A 32 -8.069 8.815 17.317 1.00 0.00 C ATOM 472 C GLN A 32 -8.344 8.973 15.818 1.00 0.00 C ATOM 473 O GLN A 32 -7.601 9.647 15.095 1.00 0.00 O ATOM 474 CB GLN A 32 -7.324 7.492 17.561 1.00 0.00 C ATOM 475 CG GLN A 32 -5.920 7.444 16.963 1.00 0.00 C ATOM 476 CD GLN A 32 -4.948 8.350 17.691 1.00 0.00 C ATOM 477 OE1 GLN A 32 -5.048 8.540 18.897 1.00 0.00 O ATOM 478 NE2 GLN A 32 -4.010 8.918 16.962 1.00 0.00 N ATOM 0 H GLN A 32 -9.493 7.949 18.571 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.458 9.646 17.669 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.255 7.320 18.635 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.912 6.675 17.144 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.550 6.419 16.995 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.966 7.734 15.913 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.961 8.734 15.960 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.332 9.542 17.399 1.00 0.00 H new ATOM 487 N PHE A 33 -9.425 8.342 15.371 1.00 0.00 N ATOM 488 CA PHE A 33 -9.823 8.364 13.976 1.00 0.00 C ATOM 489 C PHE A 33 -10.860 9.468 13.715 1.00 0.00 C ATOM 490 O PHE A 33 -10.699 10.275 12.802 1.00 0.00 O ATOM 491 CB PHE A 33 -10.405 7.001 13.583 1.00 0.00 C ATOM 492 CG PHE A 33 -9.464 5.844 13.797 1.00 0.00 C ATOM 493 CD1 PHE A 33 -8.501 5.527 12.851 1.00 0.00 C ATOM 494 CD2 PHE A 33 -9.546 5.073 14.949 1.00 0.00 C ATOM 495 CE1 PHE A 33 -7.643 4.460 13.047 1.00 0.00 C ATOM 496 CE2 PHE A 33 -8.693 4.006 15.150 1.00 0.00 C ATOM 497 CZ PHE A 33 -7.737 3.703 14.202 1.00 0.00 C ATOM 0 H PHE A 33 -10.048 7.801 15.971 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.941 8.574 13.371 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.314 6.827 14.159 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.694 7.031 12.532 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.420 6.119 11.952 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -10.287 5.311 15.698 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.901 4.218 12.300 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.774 3.410 16.047 1.00 0.00 H new ATOM 0 HZ PHE A 33 -7.062 2.875 14.361 1.00 0.00 H new ATOM 507 N GLY A 34 -11.913 9.494 14.530 1.00 0.00 N ATOM 508 CA GLY A 34 -12.965 10.485 14.374 1.00 0.00 C ATOM 509 C GLY A 34 -14.112 10.265 15.360 1.00 0.00 C ATOM 510 O GLY A 34 -14.378 9.130 15.770 1.00 0.00 O ATOM 0 H GLY A 34 -12.056 8.841 15.301 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.548 11.482 14.520 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.351 10.447 13.355 1.00 0.00 H new ATOM 514 N GLU A 35 -14.776 11.351 15.747 1.00 0.00 N ATOM 515 CA GLU A 35 -15.886 11.303 16.700 1.00 0.00 C ATOM 516 C GLU A 35 -17.120 10.650 16.089 1.00 0.00 C ATOM 517 O GLU A 35 -17.479 10.923 14.951 1.00 0.00 O ATOM 518 CB GLU A 35 -16.242 12.710 17.188 1.00 0.00 C ATOM 519 CG GLU A 35 -15.061 13.487 17.736 1.00 0.00 C ATOM 520 CD GLU A 35 -14.381 14.350 16.684 1.00 0.00 C ATOM 521 OE1 GLU A 35 -13.859 13.806 15.701 1.00 0.00 O ATOM 522 OE2 GLU A 35 -14.366 15.592 16.864 1.00 0.00 O ATOM 0 H GLU A 35 -14.561 12.290 15.410 1.00 0.00 H new ATOM 0 HA GLU A 35 -15.558 10.699 17.546 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -16.681 13.270 16.362 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -17.005 12.633 17.963 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.399 14.121 18.556 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.334 12.789 18.151 1.00 0.00 H new ATOM 529 N ILE A 36 -17.767 9.799 16.864 1.00 0.00 N ATOM 530 CA ILE A 36 -18.947 9.082 16.393 1.00 0.00 C ATOM 531 C ILE A 36 -20.248 9.811 16.766 1.00 0.00 C ATOM 532 O ILE A 36 -21.172 9.889 15.962 1.00 0.00 O ATOM 533 CB ILE A 36 -18.997 7.606 16.929 1.00 0.00 C ATOM 534 CG1 ILE A 36 -17.800 6.789 16.437 1.00 0.00 C ATOM 535 CG2 ILE A 36 -20.283 6.916 16.510 1.00 0.00 C ATOM 536 CD1 ILE A 36 -16.507 7.107 17.144 1.00 0.00 C ATOM 0 H ILE A 36 -17.498 9.584 17.824 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.864 9.051 15.307 1.00 0.00 H new ATOM 0 HB ILE A 36 -18.959 7.663 18.017 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -18.020 5.729 16.564 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.670 6.962 15.369 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -20.291 5.896 16.895 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -21.136 7.462 16.912 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -20.346 6.894 15.422 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.708 6.486 16.738 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.261 8.158 16.996 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.616 6.906 18.210 1.00 0.00 H new ATOM 548 N LEU A 37 -20.310 10.357 17.979 1.00 0.00 N ATOM 549 CA LEU A 37 -21.546 10.977 18.458 1.00 0.00 C ATOM 550 C LEU A 37 -21.360 12.444 18.836 1.00 0.00 C ATOM 551 O LEU A 37 -20.238 12.938 18.939 1.00 0.00 O ATOM 552 CB LEU A 37 -22.116 10.219 19.663 1.00 0.00 C ATOM 553 CG LEU A 37 -22.378 8.721 19.469 1.00 0.00 C ATOM 554 CD1 LEU A 37 -21.161 7.903 19.868 1.00 0.00 C ATOM 555 CD2 LEU A 37 -23.600 8.283 20.252 1.00 0.00 C ATOM 0 H LEU A 37 -19.533 10.384 18.640 1.00 0.00 H new ATOM 0 HA LEU A 37 -22.247 10.926 17.625 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -21.426 10.339 20.499 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -23.053 10.694 19.952 1.00 0.00 H new ATOM 0 HG LEU A 37 -22.572 8.546 18.411 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -21.371 6.843 19.722 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -20.310 8.193 19.252 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -20.928 8.085 20.917 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -23.767 7.217 20.100 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -23.441 8.477 21.313 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -24.472 8.840 19.908 1.00 0.00 H new ATOM 567 N GLU A 38 -22.488 13.129 19.042 1.00 0.00 N ATOM 568 CA GLU A 38 -22.502 14.538 19.441 1.00 0.00 C ATOM 569 C GLU A 38 -21.980 14.702 20.881 1.00 0.00 C ATOM 570 O GLU A 38 -21.385 15.720 21.230 1.00 0.00 O ATOM 571 CB GLU A 38 -23.930 15.087 19.356 1.00 0.00 C ATOM 572 CG GLU A 38 -24.565 14.997 17.972 1.00 0.00 C ATOM 573 CD GLU A 38 -23.864 15.825 16.906 1.00 0.00 C ATOM 574 OE1 GLU A 38 -22.954 16.621 17.239 1.00 0.00 O ATOM 575 OE2 GLU A 38 -24.238 15.678 15.717 1.00 0.00 O ATOM 0 H GLU A 38 -23.417 12.722 18.937 1.00 0.00 H new ATOM 0 HA GLU A 38 -21.852 15.092 18.765 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -24.556 14.545 20.064 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -23.923 16.131 19.671 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -24.575 13.954 17.657 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -25.604 15.319 18.040 1.00 0.00 H new ATOM 582 N ASP A 39 -22.234 13.693 21.707 1.00 0.00 N ATOM 583 CA ASP A 39 -21.820 13.696 23.115 1.00 0.00 C ATOM 584 C ASP A 39 -20.292 13.680 23.240 1.00 0.00 C ATOM 585 O ASP A 39 -19.604 13.087 22.403 1.00 0.00 O ATOM 586 CB ASP A 39 -22.428 12.489 23.830 1.00 0.00 C ATOM 587 CG ASP A 39 -22.032 12.410 25.285 1.00 0.00 C ATOM 588 OD1 ASP A 39 -22.639 13.117 26.114 1.00 0.00 O ATOM 589 OD2 ASP A 39 -21.117 11.634 25.613 1.00 0.00 O ATOM 0 H ASP A 39 -22.732 12.849 21.425 1.00 0.00 H new ATOM 0 HA ASP A 39 -22.182 14.611 23.583 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -23.514 12.538 23.756 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -22.115 11.576 23.323 1.00 0.00 H new ATOM 594 N LEU A 40 -19.767 14.340 24.277 1.00 0.00 N ATOM 595 CA LEU A 40 -18.344 14.420 24.484 1.00 0.00 C ATOM 596 C LEU A 40 -18.056 14.711 25.956 1.00 0.00 C ATOM 597 O LEU A 40 -18.398 15.775 26.464 1.00 0.00 O ATOM 598 CB LEU A 40 -17.748 15.525 23.591 1.00 0.00 C ATOM 599 CG LEU A 40 -16.240 15.454 23.327 1.00 0.00 C ATOM 600 CD1 LEU A 40 -15.429 15.876 24.548 1.00 0.00 C ATOM 601 CD2 LEU A 40 -15.854 14.050 22.893 1.00 0.00 C ATOM 0 H LEU A 40 -20.322 14.825 24.982 1.00 0.00 H new ATOM 0 HA LEU A 40 -17.883 13.469 24.216 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -18.264 15.502 22.631 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -17.969 16.489 24.049 1.00 0.00 H new ATOM 0 HG LEU A 40 -16.009 16.155 22.525 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.365 15.811 24.318 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -15.681 16.902 24.815 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -15.660 15.216 25.384 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -14.781 14.009 22.708 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.114 13.342 23.680 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -16.390 13.791 21.980 1.00 0.00 H new ATOM 1035 N SER A 67 -19.971 17.851 13.032 1.00 0.00 N ATOM 1036 CA SER A 67 -20.023 18.559 11.770 1.00 0.00 C ATOM 1037 C SER A 67 -20.188 17.590 10.591 1.00 0.00 C ATOM 1038 O SER A 67 -19.760 17.864 9.467 1.00 0.00 O ATOM 1039 CB SER A 67 -18.786 19.442 11.595 1.00 0.00 C ATOM 1040 OG SER A 67 -18.928 20.343 10.500 1.00 0.00 O ATOM 0 HA SER A 67 -20.900 19.206 11.783 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.611 20.007 12.510 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.910 18.813 11.437 1.00 0.00 H new ATOM 0 HG SER A 67 -19.280 19.861 9.723 1.00 0.00 H new ATOM 1046 N ARG A 68 -20.827 16.475 10.852 1.00 0.00 N ATOM 1047 CA ARG A 68 -21.070 15.491 9.830 1.00 0.00 C ATOM 1048 C ARG A 68 -22.508 15.003 9.935 1.00 0.00 C ATOM 1049 O ARG A 68 -23.016 14.805 11.044 1.00 0.00 O ATOM 1050 CB ARG A 68 -20.085 14.331 9.980 1.00 0.00 C ATOM 1051 CG ARG A 68 -20.050 13.383 8.802 1.00 0.00 C ATOM 1052 CD ARG A 68 -19.645 14.107 7.532 1.00 0.00 C ATOM 1053 NE ARG A 68 -18.359 14.800 7.667 1.00 0.00 N ATOM 1054 CZ ARG A 68 -18.042 15.927 7.014 1.00 0.00 C ATOM 1055 NH1 ARG A 68 -18.927 16.506 6.221 1.00 0.00 N ATOM 1056 NH2 ARG A 68 -16.842 16.480 7.170 1.00 0.00 N ATOM 0 H ARG A 68 -21.190 16.227 11.772 1.00 0.00 H new ATOM 0 HA ARG A 68 -20.922 15.935 8.846 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.085 14.737 10.133 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.341 13.767 10.877 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -19.348 12.574 9.003 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -21.031 12.928 8.668 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -19.584 13.391 6.713 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -20.417 14.829 7.267 1.00 0.00 H new ATOM 0 HE ARG A 68 -17.663 14.400 8.296 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -19.853 16.095 6.105 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -18.683 17.363 5.725 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -16.157 16.046 7.789 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -16.607 17.338 6.670 1.00 0.00 H new ATOM 1070 N GLU A 69 -23.168 14.824 8.800 1.00 0.00 N ATOM 1071 CA GLU A 69 -24.553 14.378 8.794 1.00 0.00 C ATOM 1072 C GLU A 69 -24.624 12.897 9.147 1.00 0.00 C ATOM 1073 O GLU A 69 -23.834 12.087 8.639 1.00 0.00 O ATOM 1074 CB GLU A 69 -25.199 14.640 7.427 1.00 0.00 C ATOM 1075 CG GLU A 69 -26.700 14.375 7.392 1.00 0.00 C ATOM 1076 CD GLU A 69 -27.468 15.300 8.321 1.00 0.00 C ATOM 1077 OE1 GLU A 69 -27.571 14.980 9.527 1.00 0.00 O ATOM 1078 OE2 GLU A 69 -27.959 16.354 7.856 1.00 0.00 O ATOM 0 H GLU A 69 -22.768 14.980 7.875 1.00 0.00 H new ATOM 0 HA GLU A 69 -25.107 14.944 9.543 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -25.016 15.676 7.142 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -24.712 14.013 6.680 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -27.066 14.501 6.373 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -26.891 13.339 7.674 1.00 0.00 H new ATOM 1085 N HIS A 70 -25.566 12.546 10.000 1.00 0.00 N ATOM 1086 CA HIS A 70 -25.706 11.178 10.481 1.00 0.00 C ATOM 1087 C HIS A 70 -27.163 10.841 10.788 1.00 0.00 C ATOM 1088 O HIS A 70 -28.027 11.719 10.775 1.00 0.00 O ATOM 1089 CB HIS A 70 -24.824 10.931 11.724 1.00 0.00 C ATOM 1090 CG HIS A 70 -25.041 11.901 12.857 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -25.949 11.695 13.871 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -24.444 13.084 13.130 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -25.898 12.710 14.716 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -24.993 13.560 14.287 1.00 0.00 N ATOM 0 H HIS A 70 -26.255 13.195 10.380 1.00 0.00 H new ATOM 0 HA HIS A 70 -25.367 10.518 9.682 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -25.010 9.921 12.089 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -23.777 10.974 11.423 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -23.675 13.563 12.542 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -26.498 12.822 15.607 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -24.740 14.436 14.745 1.00 0.00 H new ATOM 1102 N GLY A 71 -27.421 9.570 11.042 1.00 0.00 N ATOM 1103 CA GLY A 71 -28.760 9.115 11.345 1.00 0.00 C ATOM 1104 C GLY A 71 -28.921 8.779 12.809 1.00 0.00 C ATOM 1105 O GLY A 71 -28.152 9.247 13.643 1.00 0.00 O ATOM 0 H GLY A 71 -26.715 8.834 11.044 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -29.478 9.887 11.068 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -28.990 8.236 10.743 1.00 0.00 H new ATOM 1109 N ARG A 72 -29.917 7.965 13.126 1.00 0.00 N ATOM 1110 CA ARG A 72 -30.200 7.606 14.519 1.00 0.00 C ATOM 1111 C ARG A 72 -29.119 6.713 15.104 1.00 0.00 C ATOM 1112 O ARG A 72 -28.671 6.918 16.235 1.00 0.00 O ATOM 1113 CB ARG A 72 -31.546 6.889 14.622 1.00 0.00 C ATOM 1114 CG ARG A 72 -31.993 6.615 16.055 1.00 0.00 C ATOM 1115 CD ARG A 72 -33.265 5.782 16.094 1.00 0.00 C ATOM 1116 NE ARG A 72 -33.032 4.402 15.655 1.00 0.00 N ATOM 1117 CZ ARG A 72 -33.544 3.847 14.549 1.00 0.00 C ATOM 1118 NH1 ARG A 72 -34.296 4.563 13.722 1.00 0.00 N ATOM 1119 NH2 ARG A 72 -33.296 2.573 14.274 1.00 0.00 N ATOM 0 H ARG A 72 -30.544 7.539 12.444 1.00 0.00 H new ATOM 0 HA ARG A 72 -30.227 8.535 15.088 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -32.306 7.491 14.124 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -31.485 5.943 14.084 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -31.200 6.094 16.591 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -32.160 7.560 16.572 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -33.664 5.777 17.108 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -34.020 6.243 15.457 1.00 0.00 H new ATOM 0 HE ARG A 72 -32.432 3.819 16.239 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -34.488 5.544 13.927 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -34.682 4.133 12.882 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -32.717 2.019 14.904 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -33.685 2.148 13.432 1.00 0.00 H new ATOM 1133 N THR A 73 -28.710 5.728 14.342 1.00 0.00 N ATOM 1134 CA THR A 73 -27.768 4.758 14.825 1.00 0.00 C ATOM 1135 C THR A 73 -26.590 4.567 13.869 1.00 0.00 C ATOM 1136 O THR A 73 -25.837 3.590 13.981 1.00 0.00 O ATOM 1137 CB THR A 73 -28.476 3.420 15.050 1.00 0.00 C ATOM 1138 OG1 THR A 73 -29.199 3.046 13.865 1.00 0.00 O ATOM 1139 CG2 THR A 73 -29.440 3.507 16.223 1.00 0.00 C ATOM 0 H THR A 73 -29.019 5.580 13.381 1.00 0.00 H new ATOM 0 HA THR A 73 -27.365 5.132 15.766 1.00 0.00 H new ATOM 0 HB THR A 73 -27.720 2.667 15.274 1.00 0.00 H new ATOM 0 HG1 THR A 73 -29.649 2.188 14.013 1.00 0.00 H new ATOM 0 HG21 THR A 73 -29.931 2.544 16.363 1.00 0.00 H new ATOM 0 HG22 THR A 73 -28.890 3.769 17.127 1.00 0.00 H new ATOM 0 HG23 THR A 73 -30.191 4.271 16.021 1.00 0.00 H new ATOM 1147 N TRP A 74 -26.429 5.495 12.937 1.00 0.00 N ATOM 1148 CA TRP A 74 -25.355 5.410 11.961 1.00 0.00 C ATOM 1149 C TRP A 74 -24.743 6.772 11.700 1.00 0.00 C ATOM 1150 O TRP A 74 -25.440 7.777 11.696 1.00 0.00 O ATOM 1151 CB TRP A 74 -25.872 4.790 10.649 1.00 0.00 C ATOM 1152 CG TRP A 74 -27.071 5.490 10.054 1.00 0.00 C ATOM 1153 CD1 TRP A 74 -28.385 5.265 10.361 1.00 0.00 C ATOM 1154 CD2 TRP A 74 -27.070 6.512 9.039 1.00 0.00 C ATOM 1155 NE1 TRP A 74 -29.190 6.087 9.616 1.00 0.00 N ATOM 1156 CE2 TRP A 74 -28.415 6.860 8.800 1.00 0.00 C ATOM 1157 CE3 TRP A 74 -26.065 7.171 8.324 1.00 0.00 C ATOM 1158 CZ2 TRP A 74 -28.781 7.828 7.870 1.00 0.00 C ATOM 1159 CZ3 TRP A 74 -26.434 8.136 7.400 1.00 0.00 C ATOM 1160 CH2 TRP A 74 -27.784 8.457 7.186 1.00 0.00 C ATOM 0 H TRP A 74 -27.028 6.314 12.837 1.00 0.00 H new ATOM 0 HA TRP A 74 -24.576 4.766 12.370 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -25.064 4.795 9.917 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -26.130 3.747 10.832 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -28.737 4.545 11.085 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -30.208 6.117 9.664 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -25.024 6.933 8.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -29.819 8.072 7.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -25.670 8.650 6.835 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -28.038 9.219 6.464 1.00 0.00 H new ATOM 1171 N THR A 75 -23.438 6.799 11.503 1.00 0.00 N ATOM 1172 CA THR A 75 -22.731 8.031 11.186 1.00 0.00 C ATOM 1173 C THR A 75 -21.633 7.748 10.174 1.00 0.00 C ATOM 1174 O THR A 75 -21.062 6.659 10.157 1.00 0.00 O ATOM 1175 CB THR A 75 -22.126 8.719 12.457 1.00 0.00 C ATOM 1176 OG1 THR A 75 -21.706 10.056 12.139 1.00 0.00 O ATOM 1177 CG2 THR A 75 -20.930 7.953 13.011 1.00 0.00 C ATOM 0 H THR A 75 -22.839 5.975 11.557 1.00 0.00 H new ATOM 0 HA THR A 75 -23.458 8.724 10.762 1.00 0.00 H new ATOM 0 HB THR A 75 -22.909 8.732 13.215 1.00 0.00 H new ATOM 0 HG1 THR A 75 -21.331 10.480 12.939 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.544 8.468 13.891 1.00 0.00 H new ATOM 0 HG22 THR A 75 -21.240 6.945 13.287 1.00 0.00 H new ATOM 0 HG23 THR A 75 -20.150 7.898 12.252 1.00 0.00 H new ATOM 1185 N LYS A 76 -21.362 8.705 9.310 1.00 0.00 N ATOM 1186 CA LYS A 76 -20.331 8.537 8.315 1.00 0.00 C ATOM 1187 C LYS A 76 -19.058 9.243 8.757 1.00 0.00 C ATOM 1188 O LYS A 76 -19.045 10.459 8.934 1.00 0.00 O ATOM 1189 CB LYS A 76 -20.799 9.061 6.950 1.00 0.00 C ATOM 1190 CG LYS A 76 -19.756 8.944 5.850 1.00 0.00 C ATOM 1191 CD LYS A 76 -20.290 9.454 4.522 1.00 0.00 C ATOM 1192 CE LYS A 76 -20.532 10.952 4.551 1.00 0.00 C ATOM 1193 NZ LYS A 76 -19.279 11.709 4.788 1.00 0.00 N ATOM 0 H LYS A 76 -21.842 9.604 9.279 1.00 0.00 H new ATOM 0 HA LYS A 76 -20.120 7.473 8.210 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -21.692 8.513 6.649 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -21.087 10.107 7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.867 9.510 6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -19.451 7.903 5.745 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.581 9.215 3.729 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -21.221 8.940 4.283 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -20.973 11.267 3.605 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -21.253 11.188 5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -19.443 12.719 4.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -18.980 11.584 5.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -18.535 11.356 4.154 1.00 0.00 H new ATOM 1207 N LEU A 77 -17.994 8.482 8.919 1.00 0.00 N ATOM 1208 CA LEU A 77 -16.741 9.027 9.386 1.00 0.00 C ATOM 1209 C LEU A 77 -15.761 9.199 8.248 1.00 0.00 C ATOM 1210 O LEU A 77 -15.537 8.279 7.457 1.00 0.00 O ATOM 1211 CB LEU A 77 -16.128 8.137 10.470 1.00 0.00 C ATOM 1212 CG LEU A 77 -16.985 7.904 11.714 1.00 0.00 C ATOM 1213 CD1 LEU A 77 -16.221 7.090 12.744 1.00 0.00 C ATOM 1214 CD2 LEU A 77 -17.441 9.227 12.301 1.00 0.00 C ATOM 0 H LEU A 77 -17.975 7.479 8.732 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.951 10.008 9.813 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.895 7.168 10.027 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.182 8.580 10.783 1.00 0.00 H new ATOM 0 HG LEU A 77 -17.870 7.338 11.423 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -16.847 6.935 13.622 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -15.950 6.125 12.316 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.317 7.626 13.033 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -18.050 9.042 13.186 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.570 9.822 12.578 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -18.031 9.769 11.562 1.00 0.00 H new ATOM 1226 N THR A 78 -15.181 10.370 8.172 1.00 0.00 N ATOM 1227 CA THR A 78 -14.200 10.673 7.170 1.00 0.00 C ATOM 1228 C THR A 78 -12.819 10.654 7.808 1.00 0.00 C ATOM 1229 O THR A 78 -12.502 11.507 8.634 1.00 0.00 O ATOM 1230 CB THR A 78 -14.469 12.062 6.561 1.00 0.00 C ATOM 1231 OG1 THR A 78 -15.795 12.095 6.006 1.00 0.00 O ATOM 1232 CG2 THR A 78 -13.448 12.389 5.478 1.00 0.00 C ATOM 0 H THR A 78 -15.380 11.142 8.809 1.00 0.00 H new ATOM 0 HA THR A 78 -14.254 9.928 6.376 1.00 0.00 H new ATOM 0 HB THR A 78 -14.382 12.809 7.350 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.966 12.979 5.620 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.660 13.375 5.064 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.447 12.384 5.909 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.506 11.643 4.686 1.00 0.00 H new ATOM 1240 N TYR A 79 -12.011 9.672 7.444 1.00 0.00 N ATOM 1241 CA TYR A 79 -10.685 9.527 8.028 1.00 0.00 C ATOM 1242 C TYR A 79 -9.668 10.331 7.253 1.00 0.00 C ATOM 1243 O TYR A 79 -8.586 10.619 7.760 1.00 0.00 O ATOM 1244 CB TYR A 79 -10.284 8.051 8.061 1.00 0.00 C ATOM 1245 CG TYR A 79 -11.327 7.181 8.709 1.00 0.00 C ATOM 1246 CD1 TYR A 79 -11.465 7.144 10.086 1.00 0.00 C ATOM 1247 CD2 TYR A 79 -12.184 6.408 7.942 1.00 0.00 C ATOM 1248 CE1 TYR A 79 -12.434 6.364 10.683 1.00 0.00 C ATOM 1249 CE2 TYR A 79 -13.157 5.627 8.528 1.00 0.00 C ATOM 1250 CZ TYR A 79 -13.274 5.601 9.900 1.00 0.00 C ATOM 1251 OH TYR A 79 -14.240 4.818 10.489 1.00 0.00 O ATOM 0 H TYR A 79 -12.248 8.964 6.749 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.713 9.908 9.049 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.108 7.704 7.043 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.343 7.946 8.601 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.804 7.735 10.703 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.088 6.418 6.866 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.534 6.351 11.758 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -13.824 5.039 7.915 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.193 4.918 11.463 1.00 0.00 H new ATOM 1261 N ALA A 80 -10.030 10.686 6.014 1.00 0.00 N ATOM 1262 CA ALA A 80 -9.186 11.484 5.115 1.00 0.00 C ATOM 1263 C ALA A 80 -7.944 10.716 4.657 1.00 0.00 C ATOM 1264 O ALA A 80 -7.738 10.509 3.457 1.00 0.00 O ATOM 1265 CB ALA A 80 -8.803 12.823 5.750 1.00 0.00 C ATOM 0 H ALA A 80 -10.926 10.425 5.603 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.781 11.692 4.226 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.179 13.388 5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.706 13.392 5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.251 12.644 6.673 1.00 0.00 H new ATOM 1271 N ASN A 81 -7.122 10.299 5.605 1.00 0.00 N ATOM 1272 CA ASN A 81 -5.917 9.547 5.300 1.00 0.00 C ATOM 1273 C ASN A 81 -6.249 8.073 5.113 1.00 0.00 C ATOM 1274 O ASN A 81 -7.063 7.510 5.843 1.00 0.00 O ATOM 1275 CB ASN A 81 -4.870 9.707 6.415 1.00 0.00 C ATOM 1276 CG ASN A 81 -4.365 11.130 6.559 1.00 0.00 C ATOM 1277 OD1 ASN A 81 -4.895 11.912 7.343 1.00 0.00 O ATOM 1278 ND2 ASN A 81 -3.332 11.479 5.806 1.00 0.00 N ATOM 0 H ASN A 81 -7.269 10.470 6.600 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.499 9.942 4.374 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.304 9.385 7.361 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.027 9.048 6.210 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.952 12.424 5.867 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.916 10.803 5.165 1.00 0.00 H new ATOM 1285 N HIS A 82 -5.608 7.453 4.138 1.00 0.00 N ATOM 1286 CA HIS A 82 -5.851 6.052 3.818 1.00 0.00 C ATOM 1287 C HIS A 82 -5.116 5.141 4.798 1.00 0.00 C ATOM 1288 O HIS A 82 -5.518 4.006 5.024 1.00 0.00 O ATOM 1289 CB HIS A 82 -5.422 5.753 2.373 1.00 0.00 C ATOM 1290 CG HIS A 82 -5.808 4.381 1.873 1.00 0.00 C ATOM 1291 ND1 HIS A 82 -7.090 4.052 1.486 1.00 0.00 N ATOM 1292 CD2 HIS A 82 -5.070 3.260 1.691 1.00 0.00 C ATOM 1293 CE1 HIS A 82 -7.122 2.794 1.088 1.00 0.00 C ATOM 1294 NE2 HIS A 82 -5.912 2.290 1.203 1.00 0.00 N ATOM 0 H HIS A 82 -4.908 7.901 3.547 1.00 0.00 H new ATOM 0 HA HIS A 82 -6.919 5.856 3.909 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -5.862 6.502 1.715 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -4.340 5.861 2.300 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -4.015 3.149 1.892 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.994 2.267 0.729 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.643 1.335 0.968 1.00 0.00 H new ATOM 1302 N SER A 83 -4.042 5.657 5.382 1.00 0.00 N ATOM 1303 CA SER A 83 -3.244 4.900 6.337 1.00 0.00 C ATOM 1304 C SER A 83 -4.087 4.508 7.565 1.00 0.00 C ATOM 1305 O SER A 83 -4.000 3.382 8.063 1.00 0.00 O ATOM 1306 CB SER A 83 -2.009 5.722 6.761 1.00 0.00 C ATOM 1307 OG SER A 83 -1.167 4.993 7.640 1.00 0.00 O ATOM 0 H SER A 83 -3.702 6.603 5.209 1.00 0.00 H new ATOM 0 HA SER A 83 -2.905 3.982 5.858 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.445 6.013 5.875 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.334 6.641 7.248 1.00 0.00 H new ATOM 0 HG SER A 83 -0.395 5.544 7.886 1.00 0.00 H new ATOM 1313 N SER A 84 -4.907 5.436 8.037 1.00 0.00 N ATOM 1314 CA SER A 84 -5.757 5.198 9.190 1.00 0.00 C ATOM 1315 C SER A 84 -7.037 4.448 8.796 1.00 0.00 C ATOM 1316 O SER A 84 -7.738 3.892 9.647 1.00 0.00 O ATOM 1317 CB SER A 84 -6.095 6.533 9.835 1.00 0.00 C ATOM 1318 OG SER A 84 -6.419 7.494 8.841 1.00 0.00 O ATOM 0 H SER A 84 -5.000 6.368 7.633 1.00 0.00 H new ATOM 0 HA SER A 84 -5.222 4.569 9.902 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.934 6.411 10.520 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.249 6.883 10.427 1.00 0.00 H new ATOM 0 HG SER A 84 -6.636 8.348 9.270 1.00 0.00 H new ATOM 1324 N TYR A 85 -7.317 4.427 7.499 1.00 0.00 N ATOM 1325 CA TYR A 85 -8.502 3.771 6.950 1.00 0.00 C ATOM 1326 C TYR A 85 -8.499 2.262 7.220 1.00 0.00 C ATOM 1327 O TYR A 85 -9.522 1.694 7.587 1.00 0.00 O ATOM 1328 CB TYR A 85 -8.620 4.063 5.441 1.00 0.00 C ATOM 1329 CG TYR A 85 -9.758 3.352 4.739 1.00 0.00 C ATOM 1330 CD1 TYR A 85 -11.061 3.821 4.829 1.00 0.00 C ATOM 1331 CD2 TYR A 85 -9.518 2.220 3.965 1.00 0.00 C ATOM 1332 CE1 TYR A 85 -12.095 3.178 4.176 1.00 0.00 C ATOM 1333 CE2 TYR A 85 -10.545 1.572 3.311 1.00 0.00 C ATOM 1334 CZ TYR A 85 -11.833 2.053 3.416 1.00 0.00 C ATOM 1335 OH TYR A 85 -12.864 1.408 2.761 1.00 0.00 O ATOM 0 H TYR A 85 -6.727 4.866 6.793 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.375 4.182 7.457 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.742 5.137 5.303 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -7.684 3.784 4.958 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.270 4.702 5.418 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -8.510 1.843 3.875 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.104 3.553 4.259 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.341 0.692 2.719 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.509 0.637 2.271 1.00 0.00 H new ATOM 1345 N LEU A 86 -7.341 1.623 7.060 1.00 0.00 N ATOM 1346 CA LEU A 86 -7.235 0.164 7.218 1.00 0.00 C ATOM 1347 C LEU A 86 -7.614 -0.287 8.628 1.00 0.00 C ATOM 1348 O LEU A 86 -8.344 -1.264 8.800 1.00 0.00 O ATOM 1349 CB LEU A 86 -5.807 -0.321 6.911 1.00 0.00 C ATOM 1350 CG LEU A 86 -5.422 -0.471 5.428 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -6.381 -1.399 4.703 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -5.348 0.879 4.740 1.00 0.00 C ATOM 0 H LEU A 86 -6.464 2.086 6.822 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.936 -0.276 6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.107 0.374 7.374 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.666 -1.287 7.397 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.429 -0.920 5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.084 -1.485 3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.357 -2.384 5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.392 -0.995 4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.074 0.740 3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.319 1.371 4.798 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.598 1.498 5.232 1.00 0.00 H new ATOM 1364 N ARG A 87 -7.128 0.434 9.625 1.00 0.00 N ATOM 1365 CA ARG A 87 -7.393 0.082 11.017 1.00 0.00 C ATOM 1366 C ARG A 87 -8.868 0.260 11.378 1.00 0.00 C ATOM 1367 O ARG A 87 -9.428 -0.532 12.130 1.00 0.00 O ATOM 1368 CB ARG A 87 -6.500 0.891 11.969 1.00 0.00 C ATOM 1369 CG ARG A 87 -5.016 0.565 11.847 1.00 0.00 C ATOM 1370 CD ARG A 87 -4.182 1.410 12.789 1.00 0.00 C ATOM 1371 NE ARG A 87 -4.459 1.101 14.192 1.00 0.00 N ATOM 1372 CZ ARG A 87 -3.921 1.747 15.232 1.00 0.00 C ATOM 1373 NH1 ARG A 87 -3.101 2.780 15.039 1.00 0.00 N ATOM 1374 NH2 ARG A 87 -4.203 1.360 16.465 1.00 0.00 N ATOM 0 H ARG A 87 -6.549 1.265 9.501 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.152 -0.975 11.133 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.646 1.953 11.774 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.819 0.708 12.995 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.855 -0.491 12.065 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.689 0.732 10.821 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.124 1.246 12.583 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.383 2.465 12.604 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.108 0.340 14.391 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.879 3.085 14.091 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.696 3.266 15.839 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.830 0.570 16.621 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.794 1.851 17.260 1.00 0.00 H new ATOM 1388 N ALA A 88 -9.485 1.295 10.831 1.00 0.00 N ATOM 1389 CA ALA A 88 -10.880 1.607 11.121 1.00 0.00 C ATOM 1390 C ALA A 88 -11.853 0.779 10.275 1.00 0.00 C ATOM 1391 O ALA A 88 -13.051 0.746 10.548 1.00 0.00 O ATOM 1392 CB ALA A 88 -11.128 3.087 10.922 1.00 0.00 C ATOM 0 H ALA A 88 -9.039 1.940 10.178 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.066 1.343 12.162 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.172 3.314 11.140 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -10.485 3.657 11.593 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -10.906 3.358 9.890 1.00 0.00 H new ATOM 1398 N LEU A 89 -11.335 0.123 9.252 1.00 0.00 N ATOM 1399 CA LEU A 89 -12.166 -0.673 8.341 1.00 0.00 C ATOM 1400 C LEU A 89 -12.447 -2.063 8.927 1.00 0.00 C ATOM 1401 O LEU A 89 -13.205 -2.849 8.355 1.00 0.00 O ATOM 1402 CB LEU A 89 -11.472 -0.812 6.974 1.00 0.00 C ATOM 1403 CG LEU A 89 -12.308 -1.446 5.864 1.00 0.00 C ATOM 1404 CD1 LEU A 89 -13.484 -0.552 5.499 1.00 0.00 C ATOM 1405 CD2 LEU A 89 -11.450 -1.738 4.641 1.00 0.00 C ATOM 0 H LEU A 89 -10.341 0.121 9.024 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.117 -0.156 8.210 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.158 0.179 6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.568 -1.406 7.106 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.703 -2.392 6.234 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.066 -1.022 4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.115 -0.406 6.375 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.114 0.413 5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.066 -2.189 3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.019 -0.809 4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.649 -2.426 4.914 1.00 0.00 H new ATOM 1417 N ARG A 90 -11.806 -2.359 10.054 1.00 0.00 N ATOM 1418 CA ARG A 90 -11.920 -3.663 10.710 1.00 0.00 C ATOM 1419 C ARG A 90 -13.396 -4.085 10.981 1.00 0.00 C ATOM 1420 O ARG A 90 -14.045 -3.599 11.908 1.00 0.00 O ATOM 1421 CB ARG A 90 -11.081 -3.689 12.013 1.00 0.00 C ATOM 1422 CG ARG A 90 -11.556 -2.748 13.103 1.00 0.00 C ATOM 1423 CD ARG A 90 -10.682 -2.870 14.336 1.00 0.00 C ATOM 1424 NE ARG A 90 -11.246 -2.155 15.488 1.00 0.00 N ATOM 1425 CZ ARG A 90 -10.947 -2.439 16.762 1.00 0.00 C ATOM 1426 NH1 ARG A 90 -10.021 -3.346 17.041 1.00 0.00 N ATOM 1427 NH2 ARG A 90 -11.568 -1.815 17.754 1.00 0.00 N ATOM 0 H ARG A 90 -11.193 -1.704 10.540 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.519 -4.402 10.016 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -11.081 -4.705 12.407 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.048 -3.443 11.767 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.536 -1.721 12.738 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.590 -2.975 13.361 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.558 -3.923 14.589 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.690 -2.476 14.116 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.904 -1.397 15.307 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.535 -3.828 16.285 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.794 -3.561 18.012 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.279 -1.113 17.549 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.334 -2.037 18.722 1.00 0.00 H new ATOM 1441 N GLU A 91 -13.907 -4.978 10.139 1.00 0.00 N ATOM 1442 CA GLU A 91 -15.261 -5.523 10.300 1.00 0.00 C ATOM 1443 C GLU A 91 -15.194 -7.038 10.460 1.00 0.00 C ATOM 1444 O GLU A 91 -16.220 -7.711 10.583 1.00 0.00 O ATOM 1445 CB GLU A 91 -16.127 -5.197 9.075 1.00 0.00 C ATOM 1446 CG GLU A 91 -15.628 -5.848 7.788 1.00 0.00 C ATOM 1447 CD GLU A 91 -16.668 -5.861 6.693 1.00 0.00 C ATOM 1448 OE1 GLU A 91 -17.572 -6.732 6.745 1.00 0.00 O ATOM 1449 OE2 GLU A 91 -16.585 -5.024 5.775 1.00 0.00 O ATOM 0 H GLU A 91 -13.404 -5.345 9.331 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.705 -5.070 11.187 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -17.150 -5.523 9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -16.157 -4.116 8.938 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -14.745 -5.315 7.436 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.319 -6.871 8.001 1.00 0.00 H new ATOM 1456 N HIS A 92 -13.978 -7.566 10.451 1.00 0.00 N ATOM 1457 CA HIS A 92 -13.763 -9.007 10.531 1.00 0.00 C ATOM 1458 C HIS A 92 -14.284 -9.573 11.848 1.00 0.00 C ATOM 1459 O HIS A 92 -14.828 -10.674 11.886 1.00 0.00 O ATOM 1460 CB HIS A 92 -12.278 -9.344 10.352 1.00 0.00 C ATOM 1461 CG HIS A 92 -11.753 -9.076 8.973 1.00 0.00 C ATOM 1462 ND1 HIS A 92 -11.229 -7.858 8.587 1.00 0.00 N ATOM 1463 CD2 HIS A 92 -11.656 -9.882 7.886 1.00 0.00 C ATOM 1464 CE1 HIS A 92 -10.836 -7.930 7.325 1.00 0.00 C ATOM 1465 NE2 HIS A 92 -11.083 -9.145 6.882 1.00 0.00 N ATOM 0 H HIS A 92 -13.121 -7.017 10.389 1.00 0.00 H new ATOM 0 HA HIS A 92 -14.325 -9.472 9.721 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -11.696 -8.766 11.070 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -12.124 -10.396 10.590 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -11.972 -10.913 7.823 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.389 -7.129 6.756 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -10.880 -9.484 5.942 1.00 0.00 H new ATOM 1473 N GLY A 93 -14.105 -8.825 12.917 1.00 0.00 N ATOM 1474 CA GLY A 93 -14.583 -9.251 14.211 1.00 0.00 C ATOM 1475 C GLY A 93 -14.448 -8.153 15.238 1.00 0.00 C ATOM 1476 O GLY A 93 -13.639 -8.252 16.158 1.00 0.00 O ATOM 0 H GLY A 93 -13.633 -7.921 12.913 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.628 -9.552 14.133 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.022 -10.127 14.537 1.00 0.00 H new ATOM 1480 N THR A 94 -15.237 -7.108 15.086 1.00 0.00 N ATOM 1481 CA THR A 94 -15.161 -5.970 15.972 1.00 0.00 C ATOM 1482 C THR A 94 -16.417 -5.865 16.842 1.00 0.00 C ATOM 1483 O THR A 94 -17.422 -5.273 16.441 1.00 0.00 O ATOM 1484 CB THR A 94 -14.962 -4.665 15.167 1.00 0.00 C ATOM 1485 OG1 THR A 94 -13.863 -4.830 14.254 1.00 0.00 O ATOM 1486 CG2 THR A 94 -14.667 -3.493 16.092 1.00 0.00 C ATOM 0 H THR A 94 -15.941 -7.026 14.352 1.00 0.00 H new ATOM 0 HA THR A 94 -14.301 -6.114 16.626 1.00 0.00 H new ATOM 0 HB THR A 94 -15.881 -4.456 14.620 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.116 -4.486 13.372 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.531 -2.588 15.500 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.500 -3.355 16.781 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.758 -3.696 16.658 1.00 0.00 H new ATOM 1494 N ILE A 95 -16.358 -6.470 18.017 1.00 0.00 N ATOM 1495 CA ILE A 95 -17.473 -6.439 18.946 1.00 0.00 C ATOM 1496 C ILE A 95 -17.172 -5.487 20.090 1.00 0.00 C ATOM 1497 O ILE A 95 -16.163 -5.632 20.783 1.00 0.00 O ATOM 1498 CB ILE A 95 -17.781 -7.846 19.514 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -18.150 -8.805 18.385 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -18.913 -7.777 20.536 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -18.249 -10.255 18.820 1.00 0.00 C ATOM 0 H ILE A 95 -15.546 -6.990 18.350 1.00 0.00 H new ATOM 0 HA ILE A 95 -18.349 -6.093 18.398 1.00 0.00 H new ATOM 0 HB ILE A 95 -16.886 -8.218 20.013 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -19.104 -8.498 17.958 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -17.405 -8.723 17.593 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -19.115 -8.776 20.924 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -18.623 -7.121 21.357 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -19.811 -7.385 20.058 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -18.515 -10.875 17.963 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -17.289 -10.581 19.220 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -19.015 -10.353 19.590 1.00 0.00 H new ATOM 1513 N TYR A 96 -18.036 -4.514 20.272 1.00 0.00 N ATOM 1514 CA TYR A 96 -17.867 -3.541 21.320 1.00 0.00 C ATOM 1515 C TYR A 96 -19.175 -3.402 22.087 1.00 0.00 C ATOM 1516 O TYR A 96 -20.242 -3.368 21.484 1.00 0.00 O ATOM 1517 CB TYR A 96 -17.454 -2.192 20.720 1.00 0.00 C ATOM 1518 CG TYR A 96 -16.802 -1.258 21.720 1.00 0.00 C ATOM 1519 CD1 TYR A 96 -17.561 -0.469 22.575 1.00 0.00 C ATOM 1520 CD2 TYR A 96 -15.420 -1.187 21.815 1.00 0.00 C ATOM 1521 CE1 TYR A 96 -16.953 0.369 23.495 1.00 0.00 C ATOM 1522 CE2 TYR A 96 -14.806 -0.357 22.728 1.00 0.00 C ATOM 1523 CZ TYR A 96 -15.572 0.416 23.567 1.00 0.00 C ATOM 1524 OH TYR A 96 -14.955 1.244 24.488 1.00 0.00 O ATOM 0 H TYR A 96 -18.870 -4.378 19.700 1.00 0.00 H new ATOM 0 HA TYR A 96 -17.083 -3.869 22.003 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -16.764 -2.367 19.895 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -18.335 -1.705 20.301 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -18.639 -0.510 22.522 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -14.813 -1.794 21.160 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -17.553 0.982 24.152 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -13.728 -0.314 22.784 1.00 0.00 H new ATOM 0 HH TYR A 96 -13.982 1.156 24.407 1.00 0.00 H new ATOM 1534 N CYS A 97 -19.088 -3.356 23.415 1.00 0.00 N ATOM 1535 CA CYS A 97 -20.272 -3.220 24.280 1.00 0.00 C ATOM 1536 C CYS A 97 -21.195 -4.454 24.173 1.00 0.00 C ATOM 1537 O CYS A 97 -22.334 -4.444 24.652 1.00 0.00 O ATOM 1538 CB CYS A 97 -21.042 -1.926 23.941 1.00 0.00 C ATOM 1539 SG CYS A 97 -22.368 -1.511 25.102 1.00 0.00 S ATOM 0 H CYS A 97 -18.206 -3.411 23.924 1.00 0.00 H new ATOM 0 HA CYS A 97 -19.928 -3.158 25.312 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -20.335 -1.097 23.906 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -21.469 -2.024 22.943 1.00 0.00 H new ATOM 0 HG CYS A 97 -22.961 -2.601 25.491 1.00 0.00 H new ATOM 1545 N GLY A 98 -20.684 -5.521 23.574 1.00 0.00 N ATOM 1546 CA GLY A 98 -21.466 -6.734 23.431 1.00 0.00 C ATOM 1547 C GLY A 98 -22.121 -6.863 22.068 1.00 0.00 C ATOM 1548 O GLY A 98 -22.929 -7.762 21.854 1.00 0.00 O ATOM 0 H GLY A 98 -19.742 -5.569 23.185 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -20.822 -7.597 23.601 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -22.237 -6.755 24.201 1.00 0.00 H new ATOM 1552 N ALA A 99 -21.790 -5.965 21.146 1.00 0.00 N ATOM 1553 CA ALA A 99 -22.347 -6.030 19.805 1.00 0.00 C ATOM 1554 C ALA A 99 -21.323 -5.635 18.762 1.00 0.00 C ATOM 1555 O ALA A 99 -20.468 -4.789 19.011 1.00 0.00 O ATOM 1556 CB ALA A 99 -23.569 -5.142 19.692 1.00 0.00 C ATOM 0 H ALA A 99 -21.144 -5.191 21.303 1.00 0.00 H new ATOM 0 HA ALA A 99 -22.640 -7.064 19.621 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -23.972 -5.204 18.681 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -24.325 -5.471 20.405 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -23.291 -4.111 19.909 1.00 0.00 H new ATOM 1562 N ALA A 100 -21.388 -6.265 17.605 1.00 0.00 N ATOM 1563 CA ALA A 100 -20.483 -5.932 16.523 1.00 0.00 C ATOM 1564 C ALA A 100 -20.950 -4.693 15.800 1.00 0.00 C ATOM 1565 O ALA A 100 -22.138 -4.553 15.482 1.00 0.00 O ATOM 1566 CB ALA A 100 -20.329 -7.091 15.546 1.00 0.00 C ATOM 0 H ALA A 100 -22.055 -7.007 17.391 1.00 0.00 H new ATOM 0 HA ALA A 100 -19.505 -5.733 16.962 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -19.644 -6.806 14.748 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -19.932 -7.960 16.072 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -21.301 -7.338 15.118 1.00 0.00 H new ATOM 1572 N ILE A 101 -20.025 -3.797 15.550 1.00 0.00 N ATOM 1573 CA ILE A 101 -20.314 -2.581 14.825 1.00 0.00 C ATOM 1574 C ILE A 101 -19.952 -2.757 13.362 1.00 0.00 C ATOM 1575 O ILE A 101 -18.947 -3.393 13.035 1.00 0.00 O ATOM 1576 CB ILE A 101 -19.561 -1.361 15.416 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -18.053 -1.648 15.499 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -20.123 -0.997 16.786 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -17.224 -0.466 15.952 1.00 0.00 C ATOM 0 H ILE A 101 -19.052 -3.889 15.843 1.00 0.00 H new ATOM 0 HA ILE A 101 -21.382 -2.384 14.919 1.00 0.00 H new ATOM 0 HB ILE A 101 -19.708 -0.508 14.753 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -17.889 -2.478 16.186 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -17.701 -1.971 14.519 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -19.582 -0.139 17.185 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -21.180 -0.748 16.691 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -20.009 -1.844 17.463 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -16.172 -0.750 15.984 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -17.355 0.360 15.253 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -17.546 -0.155 16.946 1.00 0.00 H new ATOM 1591 N GLY A 102 -20.778 -2.228 12.487 1.00 0.00 N ATOM 1592 CA GLY A 102 -20.524 -2.368 11.080 1.00 0.00 C ATOM 1593 C GLY A 102 -20.076 -1.080 10.456 1.00 0.00 C ATOM 1594 O GLY A 102 -20.820 -0.101 10.441 1.00 0.00 O ATOM 0 H GLY A 102 -21.620 -1.704 12.725 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -19.761 -3.130 10.924 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -21.429 -2.716 10.582 1.00 0.00 H new ATOM 1598 N CYS A 103 -18.858 -1.069 9.963 1.00 0.00 N ATOM 1599 CA CYS A 103 -18.323 0.091 9.285 1.00 0.00 C ATOM 1600 C CYS A 103 -17.908 -0.275 7.861 1.00 0.00 C ATOM 1601 O CYS A 103 -16.856 -0.870 7.636 1.00 0.00 O ATOM 1602 CB CYS A 103 -17.144 0.680 10.074 1.00 0.00 C ATOM 1603 SG CYS A 103 -15.927 -0.542 10.631 1.00 0.00 S ATOM 0 H CYS A 103 -18.214 -1.858 10.020 1.00 0.00 H new ATOM 0 HA CYS A 103 -19.099 0.854 9.227 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -16.639 1.419 9.451 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -17.533 1.209 10.944 1.00 0.00 H new ATOM 0 HG CYS A 103 -14.741 -0.011 10.617 1.00 0.00 H new ATOM 1609 N VAL A 104 -18.755 0.067 6.906 1.00 0.00 N ATOM 1610 CA VAL A 104 -18.484 -0.239 5.508 1.00 0.00 C ATOM 1611 C VAL A 104 -18.310 1.053 4.715 1.00 0.00 C ATOM 1612 O VAL A 104 -18.760 2.115 5.159 1.00 0.00 O ATOM 1613 CB VAL A 104 -19.623 -1.096 4.869 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -19.821 -2.393 5.636 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -20.925 -0.316 4.791 1.00 0.00 C ATOM 0 H VAL A 104 -19.635 0.556 7.070 1.00 0.00 H new ATOM 0 HA VAL A 104 -17.564 -0.823 5.472 1.00 0.00 H new ATOM 0 HB VAL A 104 -19.319 -1.342 3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -20.619 -2.972 5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -18.897 -2.970 5.619 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -20.089 -2.168 6.668 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -21.697 -0.941 4.342 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -21.234 -0.023 5.794 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -20.779 0.576 4.181 1.00 0.00 H new ATOM 1625 N PRO A 105 -17.648 0.991 3.540 1.00 0.00 N ATOM 1626 CA PRO A 105 -17.442 2.167 2.688 1.00 0.00 C ATOM 1627 C PRO A 105 -18.766 2.799 2.272 1.00 0.00 C ATOM 1628 O PRO A 105 -19.802 2.118 2.193 1.00 0.00 O ATOM 1629 CB PRO A 105 -16.698 1.611 1.463 1.00 0.00 C ATOM 1630 CG PRO A 105 -16.920 0.141 1.514 1.00 0.00 C ATOM 1631 CD PRO A 105 -17.031 -0.209 2.963 1.00 0.00 C ATOM 0 HA PRO A 105 -16.890 2.954 3.202 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.086 2.037 0.538 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -15.636 1.852 1.503 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.826 -0.136 0.975 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -16.095 -0.395 1.045 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -17.646 -1.095 3.119 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -16.056 -0.415 3.405 1.00 0.00 H new ATOM 1639 N TYR A 106 -18.733 4.096 2.035 1.00 0.00 N ATOM 1640 CA TYR A 106 -19.928 4.847 1.703 1.00 0.00 C ATOM 1641 C TYR A 106 -20.586 4.357 0.423 1.00 0.00 C ATOM 1642 O TYR A 106 -19.986 4.354 -0.648 1.00 0.00 O ATOM 1643 CB TYR A 106 -19.608 6.342 1.583 1.00 0.00 C ATOM 1644 CG TYR A 106 -20.803 7.215 1.251 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -21.705 7.592 2.233 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -21.016 7.673 -0.043 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -22.784 8.402 1.941 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -22.096 8.479 -0.347 1.00 0.00 C ATOM 1649 CZ TYR A 106 -22.979 8.842 0.648 1.00 0.00 C ATOM 1650 OH TYR A 106 -24.053 9.654 0.347 1.00 0.00 O ATOM 0 H TYR A 106 -17.881 4.657 2.067 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.635 4.688 2.517 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.173 6.684 2.522 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -18.849 6.478 0.812 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.561 7.246 3.246 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.325 7.394 -0.825 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.473 8.690 2.721 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -22.248 8.823 -1.359 1.00 0.00 H new ATOM 0 HH TYR A 106 -24.040 9.872 -0.608 1.00 0.00 H new ATOM 1660 N LYS A 107 -21.825 3.939 0.560 1.00 0.00 N ATOM 1661 CA LYS A 107 -22.646 3.554 -0.561 1.00 0.00 C ATOM 1662 C LYS A 107 -23.932 4.351 -0.503 1.00 0.00 C ATOM 1663 O LYS A 107 -24.562 4.439 0.553 1.00 0.00 O ATOM 1664 CB LYS A 107 -22.965 2.048 -0.538 1.00 0.00 C ATOM 1665 CG LYS A 107 -21.767 1.128 -0.745 1.00 0.00 C ATOM 1666 CD LYS A 107 -22.212 -0.322 -0.919 1.00 0.00 C ATOM 1667 CE LYS A 107 -22.839 -0.881 0.349 1.00 0.00 C ATOM 1668 NZ LYS A 107 -23.340 -2.262 0.151 1.00 0.00 N ATOM 0 H LYS A 107 -22.293 3.857 1.462 1.00 0.00 H new ATOM 0 HA LYS A 107 -22.104 3.759 -1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -23.428 1.805 0.418 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -23.703 1.837 -1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -21.206 1.448 -1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -21.093 1.205 0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -22.930 -0.385 -1.737 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -21.354 -0.933 -1.199 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -22.103 -0.873 1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -23.661 -0.237 0.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -23.760 -2.609 1.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -24.061 -2.266 -0.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -22.551 -2.881 -0.124 1.00 0.00 H new ATOM 1682 N HIS A 108 -24.332 4.934 -1.619 1.00 0.00 N ATOM 1683 CA HIS A 108 -25.531 5.756 -1.643 1.00 0.00 C ATOM 1684 C HIS A 108 -26.782 4.915 -1.397 1.00 0.00 C ATOM 1685 O HIS A 108 -27.733 5.369 -0.754 1.00 0.00 O ATOM 1686 CB HIS A 108 -25.642 6.580 -2.943 1.00 0.00 C ATOM 1687 CG HIS A 108 -25.615 5.792 -4.229 1.00 0.00 C ATOM 1688 ND1 HIS A 108 -26.709 5.123 -4.728 1.00 0.00 N ATOM 1689 CD2 HIS A 108 -24.615 5.594 -5.127 1.00 0.00 C ATOM 1690 CE1 HIS A 108 -26.381 4.545 -5.879 1.00 0.00 C ATOM 1691 NE2 HIS A 108 -25.120 4.821 -6.138 1.00 0.00 N ATOM 0 H HIS A 108 -23.850 4.855 -2.514 1.00 0.00 H new ATOM 0 HA HIS A 108 -25.449 6.472 -0.825 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -26.570 7.151 -2.910 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -24.824 7.300 -2.964 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -23.607 5.976 -5.056 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -27.037 3.950 -6.497 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -24.602 4.509 -6.960 1.00 0.00 H new ATOM 1699 N GLU A 109 -26.759 3.688 -1.894 1.00 0.00 N ATOM 1700 CA GLU A 109 -27.864 2.761 -1.708 1.00 0.00 C ATOM 1701 C GLU A 109 -27.964 2.347 -0.235 1.00 0.00 C ATOM 1702 O GLU A 109 -29.060 2.158 0.298 1.00 0.00 O ATOM 1703 CB GLU A 109 -27.671 1.534 -2.605 1.00 0.00 C ATOM 1704 CG GLU A 109 -28.852 0.590 -2.633 1.00 0.00 C ATOM 1705 CD GLU A 109 -28.652 -0.543 -3.614 1.00 0.00 C ATOM 1706 OE1 GLU A 109 -28.968 -0.359 -4.807 1.00 0.00 O ATOM 1707 OE2 GLU A 109 -28.197 -1.627 -3.199 1.00 0.00 O ATOM 0 H GLU A 109 -25.981 3.309 -2.433 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.795 3.253 -1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -27.466 1.870 -3.621 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -26.791 0.986 -2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -29.012 0.181 -1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -29.752 1.144 -2.899 1.00 0.00 H new ATOM 1714 N LEU A 110 -26.805 2.234 0.421 1.00 0.00 N ATOM 1715 CA LEU A 110 -26.745 1.857 1.839 1.00 0.00 C ATOM 1716 C LEU A 110 -27.456 2.900 2.684 1.00 0.00 C ATOM 1717 O LEU A 110 -28.236 2.574 3.569 1.00 0.00 O ATOM 1718 CB LEU A 110 -25.287 1.765 2.298 1.00 0.00 C ATOM 1719 CG LEU A 110 -25.066 1.351 3.754 1.00 0.00 C ATOM 1720 CD1 LEU A 110 -25.349 -0.136 3.947 1.00 0.00 C ATOM 1721 CD2 LEU A 110 -23.661 1.707 4.208 1.00 0.00 C ATOM 0 H LEU A 110 -25.894 2.398 -0.007 1.00 0.00 H new ATOM 0 HA LEU A 110 -27.231 0.889 1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -24.769 1.052 1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -24.816 2.735 2.142 1.00 0.00 H new ATOM 0 HG LEU A 110 -25.769 1.905 4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -25.185 -0.405 4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -26.383 -0.348 3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -24.681 -0.719 3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -23.526 1.404 5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -22.934 1.190 3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -23.513 2.783 4.123 1.00 0.00 H new ATOM 1733 N ILE A 111 -27.206 4.162 2.368 1.00 0.00 N ATOM 1734 CA ILE A 111 -27.823 5.269 3.081 1.00 0.00 C ATOM 1735 C ILE A 111 -29.330 5.207 2.924 1.00 0.00 C ATOM 1736 O ILE A 111 -30.072 5.411 3.891 1.00 0.00 O ATOM 1737 CB ILE A 111 -27.297 6.631 2.558 1.00 0.00 C ATOM 1738 CG1 ILE A 111 -25.771 6.689 2.674 1.00 0.00 C ATOM 1739 CG2 ILE A 111 -27.935 7.794 3.314 1.00 0.00 C ATOM 1740 CD1 ILE A 111 -25.250 6.570 4.101 1.00 0.00 C ATOM 0 H ILE A 111 -26.576 4.445 1.618 1.00 0.00 H new ATOM 0 HA ILE A 111 -27.562 5.183 4.136 1.00 0.00 H new ATOM 0 HB ILE A 111 -27.574 6.722 1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -25.341 5.887 2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -25.421 7.629 2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -27.548 8.736 2.926 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -29.017 7.764 3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -27.697 7.713 4.375 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -24.161 6.620 4.096 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -25.648 7.387 4.703 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -25.567 5.618 4.526 1.00 0.00 H new ATOM 1752 N SER A 112 -29.775 4.909 1.717 1.00 0.00 N ATOM 1753 CA SER A 112 -31.188 4.792 1.438 1.00 0.00 C ATOM 1754 C SER A 112 -31.790 3.672 2.286 1.00 0.00 C ATOM 1755 O SER A 112 -32.836 3.849 2.903 1.00 0.00 O ATOM 1756 CB SER A 112 -31.396 4.487 -0.044 1.00 0.00 C ATOM 1757 OG SER A 112 -32.771 4.514 -0.395 1.00 0.00 O ATOM 0 H SER A 112 -29.171 4.743 0.912 1.00 0.00 H new ATOM 0 HA SER A 112 -31.682 5.732 1.684 1.00 0.00 H new ATOM 0 HB2 SER A 112 -30.852 5.215 -0.646 1.00 0.00 H new ATOM 0 HB3 SER A 112 -30.980 3.507 -0.276 1.00 0.00 H new ATOM 0 HG SER A 112 -32.869 4.316 -1.350 1.00 0.00 H new ATOM 1763 N GLU A 113 -31.105 2.530 2.330 1.00 0.00 N ATOM 1764 CA GLU A 113 -31.567 1.378 3.119 1.00 0.00 C ATOM 1765 C GLU A 113 -31.650 1.712 4.610 1.00 0.00 C ATOM 1766 O GLU A 113 -32.653 1.426 5.251 1.00 0.00 O ATOM 1767 CB GLU A 113 -30.659 0.161 2.900 1.00 0.00 C ATOM 1768 CG GLU A 113 -30.988 -1.021 3.810 1.00 0.00 C ATOM 1769 CD GLU A 113 -32.415 -1.520 3.642 1.00 0.00 C ATOM 1770 OE1 GLU A 113 -32.905 -1.560 2.496 1.00 0.00 O ATOM 1771 OE2 GLU A 113 -33.058 -1.871 4.665 1.00 0.00 O ATOM 0 H GLU A 113 -30.229 2.373 1.831 1.00 0.00 H new ATOM 0 HA GLU A 113 -32.570 1.133 2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -30.739 -0.158 1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -29.623 0.457 3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -30.296 -1.837 3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -30.831 -0.728 4.848 1.00 0.00 H new ATOM 1778 N LEU A 114 -30.613 2.326 5.143 1.00 0.00 N ATOM 1779 CA LEU A 114 -30.585 2.702 6.542 1.00 0.00 C ATOM 1780 C LEU A 114 -31.681 3.708 6.884 1.00 0.00 C ATOM 1781 O LEU A 114 -32.222 3.688 7.985 1.00 0.00 O ATOM 1782 CB LEU A 114 -29.198 3.223 6.931 1.00 0.00 C ATOM 1783 CG LEU A 114 -28.168 2.139 7.293 1.00 0.00 C ATOM 1784 CD1 LEU A 114 -27.971 1.145 6.166 1.00 0.00 C ATOM 1785 CD2 LEU A 114 -26.840 2.755 7.692 1.00 0.00 C ATOM 0 H LEU A 114 -29.772 2.577 4.623 1.00 0.00 H new ATOM 0 HA LEU A 114 -30.788 1.808 7.131 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -28.804 3.814 6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -29.306 3.897 7.781 1.00 0.00 H new ATOM 0 HG LEU A 114 -28.569 1.596 8.149 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -27.236 0.398 6.464 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -28.918 0.654 5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -27.617 1.668 5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -26.133 1.964 7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -26.448 3.343 6.862 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -26.984 3.400 8.558 1.00 0.00 H new ATOM 1797 N SER A 115 -32.005 4.585 5.948 1.00 0.00 N ATOM 1798 CA SER A 115 -33.076 5.555 6.167 1.00 0.00 C ATOM 1799 C SER A 115 -34.456 4.858 6.099 1.00 0.00 C ATOM 1800 O SER A 115 -35.449 5.360 6.626 1.00 0.00 O ATOM 1801 CB SER A 115 -32.986 6.675 5.128 1.00 0.00 C ATOM 1802 OG SER A 115 -31.673 7.236 5.092 1.00 0.00 O ATOM 0 H SER A 115 -31.550 4.649 5.037 1.00 0.00 H new ATOM 0 HA SER A 115 -32.962 5.990 7.160 1.00 0.00 H new ATOM 0 HB2 SER A 115 -33.246 6.285 4.144 1.00 0.00 H new ATOM 0 HB3 SER A 115 -33.712 7.454 5.364 1.00 0.00 H new ATOM 0 HG SER A 115 -31.041 6.568 4.753 1.00 0.00 H new