USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 588 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 19 GLN : amide:sc= -0.0549 K(o=-0.055,f=-0.9) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.139 USER MOD Single : A 33 SER OG : rot 180:sc= 0.204 USER MOD Single : A 34 THR OG1 : rot 42:sc= -0.132 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN :FLIP amide:sc= -3.93! C(o=-5.1!,f=-3.9!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 77 HIS :FLIP no HD1:sc= 0.268 F(o=-1.6!,f=0.27) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HE2:sc= -1.29 X(o=-1.3,f=-1.6) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 84 SER OG : rot 98:sc= 1.21 USER MOD Single : A 91 SER OG : rot -113:sc= 1.45 USER MOD Single : A 92 CYS SG : rot 180:sc= -1.49 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -160:sc= -0.12 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.0638 K(o=-0.064,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -18.105 -0.481 6.927 1.00 0.00 N ATOM 81 CA ALA A 9 -18.208 -1.790 6.293 1.00 0.00 C ATOM 82 C ALA A 9 -17.425 -2.840 7.074 1.00 0.00 C ATOM 83 O ALA A 9 -16.849 -2.547 8.122 1.00 0.00 O ATOM 84 CB ALA A 9 -17.713 -1.721 4.856 1.00 0.00 C ATOM 0 HA ALA A 9 -19.258 -2.084 6.290 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -17.796 -2.705 4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -18.317 -1.007 4.297 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.671 -1.402 4.845 1.00 0.00 H new ATOM 90 N ARG A 10 -17.410 -4.065 6.557 1.00 0.00 N ATOM 91 CA ARG A 10 -16.700 -5.159 7.208 1.00 0.00 C ATOM 92 C ARG A 10 -15.563 -5.669 6.327 1.00 0.00 C ATOM 93 O ARG A 10 -15.439 -5.277 5.166 1.00 0.00 O ATOM 94 CB ARG A 10 -17.664 -6.304 7.526 1.00 0.00 C ATOM 95 CG ARG A 10 -18.427 -6.113 8.827 1.00 0.00 C ATOM 96 CD ARG A 10 -18.869 -7.445 9.414 1.00 0.00 C ATOM 97 NE ARG A 10 -19.399 -7.298 10.766 1.00 0.00 N ATOM 98 CZ ARG A 10 -19.460 -8.293 11.644 1.00 0.00 C ATOM 99 NH1 ARG A 10 -19.025 -9.501 11.313 1.00 0.00 N ATOM 100 NH2 ARG A 10 -19.956 -8.081 12.856 1.00 0.00 N ATOM 0 H ARG A 10 -17.881 -4.324 5.690 1.00 0.00 H new ATOM 0 HA ARG A 10 -16.276 -4.781 8.138 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.377 -6.405 6.708 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -17.103 -7.237 7.577 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -17.797 -5.588 9.546 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -19.300 -5.485 8.649 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -19.630 -7.889 8.773 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -18.024 -8.133 9.429 1.00 0.00 H new ATOM 0 HE ARG A 10 -19.741 -6.381 11.052 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.642 -9.668 10.382 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -19.073 -10.263 11.989 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -20.291 -7.153 13.115 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -20.002 -8.846 13.529 1.00 0.00 H new ATOM 114 N LEU A 11 -14.734 -6.543 6.887 1.00 0.00 N ATOM 115 CA LEU A 11 -13.605 -7.106 6.154 1.00 0.00 C ATOM 116 C LEU A 11 -13.879 -8.554 5.762 1.00 0.00 C ATOM 117 O LEU A 11 -14.414 -9.332 6.552 1.00 0.00 O ATOM 118 CB LEU A 11 -12.332 -7.025 6.997 1.00 0.00 C ATOM 119 CG LEU A 11 -11.054 -7.541 6.335 1.00 0.00 C ATOM 120 CD1 LEU A 11 -10.753 -6.753 5.069 1.00 0.00 C ATOM 121 CD2 LEU A 11 -9.883 -7.465 7.303 1.00 0.00 C ATOM 0 H LEU A 11 -14.822 -6.877 7.847 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.467 -6.522 5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.175 -5.985 7.282 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.493 -7.587 7.917 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.206 -8.585 6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.840 -7.134 4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.581 -6.859 4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.621 -5.700 5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.982 -7.836 6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.730 -6.430 7.608 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.097 -8.074 8.181 1.00 0.00 H new ATOM 133 N VAL A 12 -13.506 -8.911 4.537 1.00 0.00 N ATOM 134 CA VAL A 12 -13.708 -10.268 4.041 1.00 0.00 C ATOM 135 C VAL A 12 -12.379 -10.927 3.689 1.00 0.00 C ATOM 136 O VAL A 12 -12.179 -12.116 3.938 1.00 0.00 O ATOM 137 CB VAL A 12 -14.620 -10.282 2.801 1.00 0.00 C ATOM 138 CG1 VAL A 12 -16.074 -10.469 3.209 1.00 0.00 C ATOM 139 CG2 VAL A 12 -14.445 -9.003 1.996 1.00 0.00 C ATOM 0 H VAL A 12 -13.062 -8.280 3.870 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.188 -10.830 4.842 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.333 -11.124 2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.704 -10.476 2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -16.184 -11.415 3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -16.377 -9.650 3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.097 -9.030 1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.704 -8.145 2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.408 -8.916 1.671 1.00 0.00 H new ATOM 149 N ALA A 13 -11.473 -10.147 3.108 1.00 0.00 N ATOM 150 CA ALA A 13 -10.162 -10.655 2.724 1.00 0.00 C ATOM 151 C ALA A 13 -9.057 -9.689 3.136 1.00 0.00 C ATOM 152 O ALA A 13 -8.650 -8.827 2.358 1.00 0.00 O ATOM 153 CB ALA A 13 -10.113 -10.908 1.224 1.00 0.00 C ATOM 0 H ALA A 13 -11.623 -9.161 2.893 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.997 -11.598 3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.128 -11.287 0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.872 -11.642 0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.303 -9.976 0.691 1.00 0.00 H new ATOM 159 N GLY A 14 -8.575 -9.838 4.366 1.00 0.00 N ATOM 160 CA GLY A 14 -7.521 -8.971 4.861 1.00 0.00 C ATOM 161 C GLY A 14 -6.324 -8.927 3.933 1.00 0.00 C ATOM 162 O GLY A 14 -6.288 -9.625 2.919 1.00 0.00 O ATOM 0 H GLY A 14 -8.896 -10.544 5.029 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.914 -7.963 4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.202 -9.317 5.844 1.00 0.00 H new ATOM 166 N LEU A 15 -5.340 -8.103 4.278 1.00 0.00 N ATOM 167 CA LEU A 15 -4.134 -7.969 3.468 1.00 0.00 C ATOM 168 C LEU A 15 -3.304 -9.248 3.510 1.00 0.00 C ATOM 169 O LEU A 15 -3.453 -10.065 4.418 1.00 0.00 O ATOM 170 CB LEU A 15 -3.296 -6.787 3.957 1.00 0.00 C ATOM 171 CG LEU A 15 -3.769 -5.401 3.517 1.00 0.00 C ATOM 172 CD1 LEU A 15 -3.807 -5.307 2.000 1.00 0.00 C ATOM 173 CD2 LEU A 15 -5.137 -5.092 4.107 1.00 0.00 C ATOM 0 H LEU A 15 -5.354 -7.518 5.113 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.437 -7.789 2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.271 -6.811 5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.272 -6.926 3.611 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.060 -4.661 3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.146 -4.314 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.809 -5.483 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.494 -6.056 1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.458 -4.102 3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.857 -5.836 3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.078 -5.116 5.195 1.00 0.00 H new ATOM 185 N GLU A 16 -2.430 -9.414 2.523 1.00 0.00 N ATOM 186 CA GLU A 16 -1.575 -10.593 2.449 1.00 0.00 C ATOM 187 C GLU A 16 -0.102 -10.203 2.533 1.00 0.00 C ATOM 188 O GLU A 16 0.298 -9.141 2.056 1.00 0.00 O ATOM 189 CB GLU A 16 -1.839 -11.361 1.152 1.00 0.00 C ATOM 190 CG GLU A 16 -3.277 -11.826 1.002 1.00 0.00 C ATOM 191 CD GLU A 16 -4.165 -10.778 0.358 1.00 0.00 C ATOM 192 OE1 GLU A 16 -3.644 -9.968 -0.437 1.00 0.00 O ATOM 193 OE2 GLU A 16 -5.379 -10.768 0.649 1.00 0.00 O ATOM 0 H GLU A 16 -2.295 -8.747 1.763 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.811 -11.236 3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.581 -10.726 0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.180 -12.228 1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.300 -12.735 0.401 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.676 -12.082 1.983 1.00 0.00 H new ATOM 200 N ASP A 17 0.699 -11.071 3.141 1.00 0.00 N ATOM 201 CA ASP A 17 2.128 -10.819 3.287 1.00 0.00 C ATOM 202 C ASP A 17 2.863 -11.084 1.977 1.00 0.00 C ATOM 203 O ASP A 17 2.608 -12.081 1.301 1.00 0.00 O ATOM 204 CB ASP A 17 2.711 -11.692 4.399 1.00 0.00 C ATOM 205 CG ASP A 17 2.216 -13.124 4.330 1.00 0.00 C ATOM 206 OD1 ASP A 17 2.586 -13.833 3.372 1.00 0.00 O ATOM 207 OD2 ASP A 17 1.458 -13.534 5.234 1.00 0.00 O ATOM 0 H ASP A 17 0.383 -11.955 3.541 1.00 0.00 H new ATOM 0 HA ASP A 17 2.261 -9.770 3.552 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.799 -11.683 4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.448 -11.266 5.367 1.00 0.00 H new ATOM 212 N VAL A 18 3.777 -10.185 1.624 1.00 0.00 N ATOM 213 CA VAL A 18 4.549 -10.322 0.395 1.00 0.00 C ATOM 214 C VAL A 18 6.016 -9.976 0.626 1.00 0.00 C ATOM 215 O VAL A 18 6.341 -9.156 1.484 1.00 0.00 O ATOM 216 CB VAL A 18 3.990 -9.422 -0.723 1.00 0.00 C ATOM 217 CG1 VAL A 18 4.797 -9.593 -2.001 1.00 0.00 C ATOM 218 CG2 VAL A 18 2.520 -9.726 -0.966 1.00 0.00 C ATOM 0 H VAL A 18 4.001 -9.354 2.172 1.00 0.00 H new ATOM 0 HA VAL A 18 4.469 -11.364 0.086 1.00 0.00 H new ATOM 0 HB VAL A 18 4.075 -8.383 -0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.387 -8.949 -2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.836 -9.320 -1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.747 -10.632 -2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.141 -9.081 -1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.408 -10.769 -1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.955 -9.546 -0.051 1.00 0.00 H new ATOM 228 N GLN A 19 6.895 -10.605 -0.146 1.00 0.00 N ATOM 229 CA GLN A 19 8.328 -10.362 -0.025 1.00 0.00 C ATOM 230 C GLN A 19 8.993 -10.330 -1.397 1.00 0.00 C ATOM 231 O GLN A 19 8.845 -11.258 -2.193 1.00 0.00 O ATOM 232 CB GLN A 19 8.978 -11.441 0.844 1.00 0.00 C ATOM 233 CG GLN A 19 9.284 -12.726 0.091 1.00 0.00 C ATOM 234 CD GLN A 19 9.403 -13.926 1.010 1.00 0.00 C ATOM 235 OE1 GLN A 19 8.643 -14.066 1.969 1.00 0.00 O ATOM 236 NE2 GLN A 19 10.360 -14.800 0.722 1.00 0.00 N ATOM 0 H GLN A 19 6.641 -11.286 -0.861 1.00 0.00 H new ATOM 0 HA GLN A 19 8.467 -9.390 0.449 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.903 -11.048 1.266 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.318 -11.668 1.681 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.497 -12.910 -0.641 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.214 -12.605 -0.464 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.967 -14.645 -0.083 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.488 -15.627 1.305 1.00 0.00 H new ATOM 245 N VAL A 20 9.726 -9.255 -1.669 1.00 0.00 N ATOM 246 CA VAL A 20 10.414 -9.101 -2.945 1.00 0.00 C ATOM 247 C VAL A 20 11.791 -8.475 -2.756 1.00 0.00 C ATOM 248 O VAL A 20 12.026 -7.748 -1.791 1.00 0.00 O ATOM 249 CB VAL A 20 9.598 -8.234 -3.923 1.00 0.00 C ATOM 250 CG1 VAL A 20 8.246 -8.872 -4.202 1.00 0.00 C ATOM 251 CG2 VAL A 20 9.429 -6.827 -3.371 1.00 0.00 C ATOM 0 H VAL A 20 9.859 -8.478 -1.022 1.00 0.00 H new ATOM 0 HA VAL A 20 10.527 -10.100 -3.365 1.00 0.00 H new ATOM 0 HB VAL A 20 10.142 -8.168 -4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.684 -8.245 -4.895 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.393 -9.858 -4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.691 -8.970 -3.269 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.850 -6.227 -4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.906 -6.871 -2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.409 -6.372 -3.227 1.00 0.00 H new ATOM 261 N TYR A 21 12.698 -8.763 -3.682 1.00 0.00 N ATOM 262 CA TYR A 21 14.054 -8.229 -3.616 1.00 0.00 C ATOM 263 C TYR A 21 14.087 -6.769 -4.057 1.00 0.00 C ATOM 264 O TYR A 21 13.181 -6.296 -4.745 1.00 0.00 O ATOM 265 CB TYR A 21 14.994 -9.059 -4.492 1.00 0.00 C ATOM 266 CG TYR A 21 15.445 -10.348 -3.843 1.00 0.00 C ATOM 267 CD1 TYR A 21 14.527 -11.218 -3.268 1.00 0.00 C ATOM 268 CD2 TYR A 21 16.790 -10.696 -3.805 1.00 0.00 C ATOM 269 CE1 TYR A 21 14.934 -12.396 -2.673 1.00 0.00 C ATOM 270 CE2 TYR A 21 17.206 -11.873 -3.214 1.00 0.00 C ATOM 271 CZ TYR A 21 16.275 -12.720 -2.649 1.00 0.00 C ATOM 272 OH TYR A 21 16.686 -13.893 -2.058 1.00 0.00 O ATOM 0 H TYR A 21 12.520 -9.363 -4.487 1.00 0.00 H new ATOM 0 HA TYR A 21 14.389 -8.284 -2.580 1.00 0.00 H new ATOM 0 HB2 TYR A 21 14.492 -9.291 -5.431 1.00 0.00 H new ATOM 0 HB3 TYR A 21 15.871 -8.460 -4.739 1.00 0.00 H new ATOM 0 HD1 TYR A 21 13.476 -10.969 -3.287 1.00 0.00 H new ATOM 0 HD2 TYR A 21 17.522 -10.035 -4.245 1.00 0.00 H new ATOM 0 HE1 TYR A 21 14.207 -13.060 -2.229 1.00 0.00 H new ATOM 0 HE2 TYR A 21 18.255 -12.129 -3.194 1.00 0.00 H new ATOM 0 HH TYR A 21 17.660 -13.970 -2.128 1.00 0.00 H new ATOM 282 N ASP A 22 15.137 -6.061 -3.657 1.00 0.00 N ATOM 283 CA ASP A 22 15.290 -4.655 -4.011 1.00 0.00 C ATOM 284 C ASP A 22 15.064 -4.443 -5.505 1.00 0.00 C ATOM 285 O ASP A 22 15.438 -5.280 -6.325 1.00 0.00 O ATOM 286 CB ASP A 22 16.682 -4.157 -3.618 1.00 0.00 C ATOM 287 CG ASP A 22 17.178 -3.047 -4.525 1.00 0.00 C ATOM 288 OD1 ASP A 22 17.614 -3.355 -5.653 1.00 0.00 O ATOM 289 OD2 ASP A 22 17.130 -1.872 -4.105 1.00 0.00 O ATOM 0 H ASP A 22 15.895 -6.438 -3.087 1.00 0.00 H new ATOM 0 HA ASP A 22 14.540 -4.084 -3.464 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.659 -3.798 -2.589 1.00 0.00 H new ATOM 0 HB3 ASP A 22 17.385 -4.990 -3.650 1.00 0.00 H new ATOM 294 N GLY A 23 14.448 -3.316 -5.851 1.00 0.00 N ATOM 295 CA GLY A 23 14.181 -3.015 -7.245 1.00 0.00 C ATOM 296 C GLY A 23 12.928 -3.698 -7.757 1.00 0.00 C ATOM 297 O GLY A 23 12.282 -3.210 -8.683 1.00 0.00 O ATOM 0 H GLY A 23 14.129 -2.607 -5.191 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.079 -1.937 -7.367 1.00 0.00 H new ATOM 0 HA3 GLY A 23 15.033 -3.325 -7.850 1.00 0.00 H new ATOM 301 N GLU A 24 12.586 -4.831 -7.152 1.00 0.00 N ATOM 302 CA GLU A 24 11.403 -5.583 -7.555 1.00 0.00 C ATOM 303 C GLU A 24 10.133 -4.774 -7.306 1.00 0.00 C ATOM 304 O GLU A 24 10.193 -3.621 -6.877 1.00 0.00 O ATOM 305 CB GLU A 24 11.332 -6.910 -6.796 1.00 0.00 C ATOM 306 CG GLU A 24 12.541 -7.803 -7.017 1.00 0.00 C ATOM 307 CD GLU A 24 12.702 -8.220 -8.466 1.00 0.00 C ATOM 308 OE1 GLU A 24 11.676 -8.497 -9.121 1.00 0.00 O ATOM 309 OE2 GLU A 24 13.854 -8.268 -8.944 1.00 0.00 O ATOM 0 H GLU A 24 13.110 -5.248 -6.383 1.00 0.00 H new ATOM 0 HA GLU A 24 11.480 -5.787 -8.623 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.233 -6.704 -5.730 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.434 -7.446 -7.102 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.440 -7.278 -6.692 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.449 -8.693 -6.395 1.00 0.00 H new ATOM 316 N ASP A 25 8.986 -5.386 -7.579 1.00 0.00 N ATOM 317 CA ASP A 25 7.701 -4.724 -7.384 1.00 0.00 C ATOM 318 C ASP A 25 6.825 -5.510 -6.414 1.00 0.00 C ATOM 319 O ASP A 25 6.714 -6.732 -6.514 1.00 0.00 O ATOM 320 CB ASP A 25 6.980 -4.559 -8.723 1.00 0.00 C ATOM 321 CG ASP A 25 7.938 -4.291 -9.867 1.00 0.00 C ATOM 322 OD1 ASP A 25 8.258 -3.108 -10.108 1.00 0.00 O ATOM 323 OD2 ASP A 25 8.367 -5.264 -10.523 1.00 0.00 O ATOM 0 H ASP A 25 8.920 -6.339 -7.936 1.00 0.00 H new ATOM 0 HA ASP A 25 7.889 -3.739 -6.957 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.406 -5.461 -8.937 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.267 -3.738 -8.650 1.00 0.00 H new ATOM 328 N ALA A 26 6.207 -4.802 -5.475 1.00 0.00 N ATOM 329 CA ALA A 26 5.341 -5.434 -4.488 1.00 0.00 C ATOM 330 C ALA A 26 3.872 -5.277 -4.865 1.00 0.00 C ATOM 331 O ALA A 26 3.497 -4.335 -5.564 1.00 0.00 O ATOM 332 CB ALA A 26 5.599 -4.847 -3.107 1.00 0.00 C ATOM 0 H ALA A 26 6.290 -3.790 -5.377 1.00 0.00 H new ATOM 0 HA ALA A 26 5.572 -6.499 -4.468 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.945 -5.328 -2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.639 -5.016 -2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.397 -3.776 -3.123 1.00 0.00 H new ATOM 338 N VAL A 27 3.044 -6.206 -4.400 1.00 0.00 N ATOM 339 CA VAL A 27 1.615 -6.171 -4.689 1.00 0.00 C ATOM 340 C VAL A 27 0.794 -6.488 -3.444 1.00 0.00 C ATOM 341 O VAL A 27 1.131 -7.393 -2.679 1.00 0.00 O ATOM 342 CB VAL A 27 1.243 -7.167 -5.803 1.00 0.00 C ATOM 343 CG1 VAL A 27 -0.232 -7.050 -6.154 1.00 0.00 C ATOM 344 CG2 VAL A 27 2.111 -6.941 -7.031 1.00 0.00 C ATOM 0 H VAL A 27 3.338 -6.993 -3.821 1.00 0.00 H new ATOM 0 HA VAL A 27 1.385 -5.160 -5.024 1.00 0.00 H new ATOM 0 HB VAL A 27 1.426 -8.178 -5.438 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.476 -7.762 -6.943 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.834 -7.266 -5.272 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.445 -6.038 -6.499 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.834 -7.654 -7.808 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.963 -5.926 -7.400 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.159 -7.081 -6.767 1.00 0.00 H new ATOM 354 N PHE A 28 -0.285 -5.738 -3.246 1.00 0.00 N ATOM 355 CA PHE A 28 -1.154 -5.939 -2.093 1.00 0.00 C ATOM 356 C PHE A 28 -2.612 -5.676 -2.459 1.00 0.00 C ATOM 357 O PHE A 28 -2.929 -4.687 -3.119 1.00 0.00 O ATOM 358 CB PHE A 28 -0.732 -5.022 -0.943 1.00 0.00 C ATOM 359 CG PHE A 28 0.604 -5.374 -0.355 1.00 0.00 C ATOM 360 CD1 PHE A 28 0.708 -6.336 0.637 1.00 0.00 C ATOM 361 CD2 PHE A 28 1.757 -4.743 -0.794 1.00 0.00 C ATOM 362 CE1 PHE A 28 1.936 -6.663 1.180 1.00 0.00 C ATOM 363 CE2 PHE A 28 2.988 -5.066 -0.255 1.00 0.00 C ATOM 364 CZ PHE A 28 3.077 -6.027 0.734 1.00 0.00 C ATOM 0 H PHE A 28 -0.578 -4.986 -3.869 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.059 -6.977 -1.774 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.702 -3.993 -1.302 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.488 -5.065 -0.159 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.182 -6.836 0.990 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.693 -3.990 -1.566 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.003 -7.415 1.952 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.879 -4.568 -0.606 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.038 -6.280 1.157 1.00 0.00 H new ATOM 374 N SER A 29 -3.495 -6.570 -2.025 1.00 0.00 N ATOM 375 CA SER A 29 -4.919 -6.439 -2.310 1.00 0.00 C ATOM 376 C SER A 29 -5.756 -6.893 -1.118 1.00 0.00 C ATOM 377 O SER A 29 -5.284 -7.643 -0.263 1.00 0.00 O ATOM 378 CB SER A 29 -5.290 -7.255 -3.550 1.00 0.00 C ATOM 379 OG SER A 29 -6.683 -7.516 -3.590 1.00 0.00 O ATOM 0 H SER A 29 -3.249 -7.393 -1.475 1.00 0.00 H new ATOM 0 HA SER A 29 -5.131 -5.387 -2.500 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.992 -6.714 -4.448 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.740 -8.196 -3.548 1.00 0.00 H new ATOM 0 HG SER A 29 -6.895 -8.037 -4.392 1.00 0.00 H new ATOM 385 N LEU A 30 -7.002 -6.434 -1.069 1.00 0.00 N ATOM 386 CA LEU A 30 -7.907 -6.793 0.017 1.00 0.00 C ATOM 387 C LEU A 30 -9.362 -6.616 -0.405 1.00 0.00 C ATOM 388 O LEU A 30 -9.677 -5.768 -1.241 1.00 0.00 O ATOM 389 CB LEU A 30 -7.615 -5.940 1.253 1.00 0.00 C ATOM 390 CG LEU A 30 -7.952 -4.453 1.137 1.00 0.00 C ATOM 391 CD1 LEU A 30 -9.368 -4.186 1.623 1.00 0.00 C ATOM 392 CD2 LEU A 30 -6.950 -3.617 1.921 1.00 0.00 C ATOM 0 H LEU A 30 -7.408 -5.813 -1.769 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.744 -7.843 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.171 -6.353 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.556 -6.034 1.493 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.891 -4.167 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.589 -3.123 1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.074 -4.756 1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.457 -4.488 2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.205 -2.561 1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.979 -3.906 2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.948 -3.785 1.526 1.00 0.00 H new ATOM 404 N ASP A 31 -10.244 -7.418 0.180 1.00 0.00 N ATOM 405 CA ASP A 31 -11.667 -7.348 -0.133 1.00 0.00 C ATOM 406 C ASP A 31 -12.462 -6.834 1.063 1.00 0.00 C ATOM 407 O ASP A 31 -12.009 -6.919 2.206 1.00 0.00 O ATOM 408 CB ASP A 31 -12.187 -8.724 -0.554 1.00 0.00 C ATOM 409 CG ASP A 31 -11.427 -9.293 -1.735 1.00 0.00 C ATOM 410 OD1 ASP A 31 -10.937 -8.499 -2.566 1.00 0.00 O ATOM 411 OD2 ASP A 31 -11.320 -10.534 -1.829 1.00 0.00 O ATOM 0 H ASP A 31 -9.999 -8.124 0.874 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.798 -6.650 -0.960 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.111 -9.411 0.289 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.244 -8.647 -0.809 1.00 0.00 H new ATOM 416 N LEU A 32 -13.648 -6.300 0.793 1.00 0.00 N ATOM 417 CA LEU A 32 -14.506 -5.771 1.848 1.00 0.00 C ATOM 418 C LEU A 32 -15.936 -6.279 1.692 1.00 0.00 C ATOM 419 O LEU A 32 -16.235 -7.050 0.781 1.00 0.00 O ATOM 420 CB LEU A 32 -14.491 -4.241 1.825 1.00 0.00 C ATOM 421 CG LEU A 32 -13.110 -3.584 1.822 1.00 0.00 C ATOM 422 CD1 LEU A 32 -13.236 -2.080 1.637 1.00 0.00 C ATOM 423 CD2 LEU A 32 -12.364 -3.904 3.108 1.00 0.00 C ATOM 0 H LEU A 32 -14.037 -6.222 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.119 -6.118 2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.033 -3.905 0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.042 -3.879 2.693 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.539 -3.986 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.244 -1.629 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.730 -1.870 0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.825 -1.661 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.384 -3.428 3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.931 -3.530 3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.242 -4.983 3.199 1.00 0.00 H new ATOM 435 N SER A 33 -16.815 -5.839 2.586 1.00 0.00 N ATOM 436 CA SER A 33 -18.214 -6.250 2.549 1.00 0.00 C ATOM 437 C SER A 33 -19.032 -5.314 1.665 1.00 0.00 C ATOM 438 O SER A 33 -19.998 -5.731 1.026 1.00 0.00 O ATOM 439 CB SER A 33 -18.798 -6.275 3.963 1.00 0.00 C ATOM 440 OG SER A 33 -19.364 -5.021 4.303 1.00 0.00 O ATOM 0 H SER A 33 -16.584 -5.198 3.345 1.00 0.00 H new ATOM 0 HA SER A 33 -18.261 -7.254 2.127 1.00 0.00 H new ATOM 0 HB2 SER A 33 -19.559 -7.052 4.032 1.00 0.00 H new ATOM 0 HB3 SER A 33 -18.016 -6.531 4.678 1.00 0.00 H new ATOM 0 HG SER A 33 -19.732 -5.063 5.210 1.00 0.00 H new ATOM 446 N THR A 34 -18.638 -4.045 1.634 1.00 0.00 N ATOM 447 CA THR A 34 -19.335 -3.048 0.831 1.00 0.00 C ATOM 448 C THR A 34 -18.404 -1.902 0.449 1.00 0.00 C ATOM 449 O THR A 34 -17.236 -1.884 0.837 1.00 0.00 O ATOM 450 CB THR A 34 -20.555 -2.476 1.578 1.00 0.00 C ATOM 451 OG1 THR A 34 -21.346 -1.682 0.687 1.00 0.00 O ATOM 452 CG2 THR A 34 -20.116 -1.632 2.765 1.00 0.00 C ATOM 0 H THR A 34 -17.840 -3.683 2.156 1.00 0.00 H new ATOM 0 HA THR A 34 -19.676 -3.553 -0.073 1.00 0.00 H new ATOM 0 HB THR A 34 -21.152 -3.310 1.947 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.414 -2.133 -0.180 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.994 -1.239 3.277 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.539 -2.247 3.455 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.500 -0.804 2.415 1.00 0.00 H new ATOM 460 N ILE A 35 -18.930 -0.948 -0.312 1.00 0.00 N ATOM 461 CA ILE A 35 -18.146 0.202 -0.745 1.00 0.00 C ATOM 462 C ILE A 35 -17.832 1.125 0.428 1.00 0.00 C ATOM 463 O ILE A 35 -18.654 1.302 1.328 1.00 0.00 O ATOM 464 CB ILE A 35 -18.879 1.005 -1.835 1.00 0.00 C ATOM 465 CG1 ILE A 35 -19.042 0.160 -3.100 1.00 0.00 C ATOM 466 CG2 ILE A 35 -18.125 2.290 -2.144 1.00 0.00 C ATOM 467 CD1 ILE A 35 -19.917 0.807 -4.151 1.00 0.00 C ATOM 0 H ILE A 35 -19.895 -0.949 -0.641 1.00 0.00 H new ATOM 0 HA ILE A 35 -17.215 -0.187 -1.158 1.00 0.00 H new ATOM 0 HB ILE A 35 -19.870 1.268 -1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -18.058 -0.033 -3.527 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -19.468 -0.806 -2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -18.656 2.847 -2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -18.056 2.897 -1.242 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -17.122 2.048 -2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -19.988 0.152 -5.019 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -20.913 0.976 -3.742 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -19.482 1.760 -4.450 1.00 0.00 H new ATOM 479 N ILE A 36 -16.641 1.713 0.408 1.00 0.00 N ATOM 480 CA ILE A 36 -16.220 2.621 1.468 1.00 0.00 C ATOM 481 C ILE A 36 -14.885 3.276 1.133 1.00 0.00 C ATOM 482 O ILE A 36 -14.032 2.672 0.484 1.00 0.00 O ATOM 483 CB ILE A 36 -16.096 1.891 2.819 1.00 0.00 C ATOM 484 CG1 ILE A 36 -15.780 2.888 3.935 1.00 0.00 C ATOM 485 CG2 ILE A 36 -15.024 0.815 2.743 1.00 0.00 C ATOM 486 CD1 ILE A 36 -16.222 2.423 5.305 1.00 0.00 C ATOM 0 H ILE A 36 -15.950 1.577 -0.330 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.989 3.389 1.549 1.00 0.00 H new ATOM 0 HB ILE A 36 -17.049 1.412 3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.706 3.073 3.952 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.264 3.838 3.709 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.948 0.308 3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -15.289 0.092 1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.066 1.273 2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.966 3.180 6.046 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.301 2.265 5.305 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.719 1.488 5.552 1.00 0.00 H new ATOM 498 N GLN A 37 -14.711 4.515 1.582 1.00 0.00 N ATOM 499 CA GLN A 37 -13.478 5.252 1.330 1.00 0.00 C ATOM 500 C GLN A 37 -12.522 5.133 2.512 1.00 0.00 C ATOM 501 O GLN A 37 -12.817 5.597 3.612 1.00 0.00 O ATOM 502 CB GLN A 37 -13.787 6.725 1.055 1.00 0.00 C ATOM 503 CG GLN A 37 -12.576 7.527 0.607 1.00 0.00 C ATOM 504 CD GLN A 37 -12.928 8.950 0.220 1.00 0.00 C ATOM 505 OE1 GLN A 37 -13.202 9.789 1.079 1.00 0.00 O ATOM 506 NE2 GLN A 37 -12.923 9.229 -1.078 1.00 0.00 N ATOM 0 H GLN A 37 -15.407 5.029 2.122 1.00 0.00 H new ATOM 0 HA GLN A 37 -12.998 4.819 0.453 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.559 6.789 0.288 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -14.197 7.176 1.958 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -11.840 7.545 1.410 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.109 7.029 -0.243 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -12.690 8.502 -1.755 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -13.152 10.170 -1.398 1.00 0.00 H new ATOM 515 N GLY A 38 -11.373 4.507 2.276 1.00 0.00 N ATOM 516 CA GLY A 38 -10.390 4.337 3.331 1.00 0.00 C ATOM 517 C GLY A 38 -9.041 4.925 2.966 1.00 0.00 C ATOM 518 O GLY A 38 -8.915 5.641 1.973 1.00 0.00 O ATOM 0 H GLY A 38 -11.105 4.115 1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.755 4.810 4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.274 3.275 3.547 1.00 0.00 H new ATOM 522 N THR A 39 -8.029 4.623 3.773 1.00 0.00 N ATOM 523 CA THR A 39 -6.683 5.128 3.533 1.00 0.00 C ATOM 524 C THR A 39 -5.636 4.053 3.799 1.00 0.00 C ATOM 525 O THR A 39 -5.797 3.226 4.697 1.00 0.00 O ATOM 526 CB THR A 39 -6.378 6.355 4.413 1.00 0.00 C ATOM 527 OG1 THR A 39 -7.224 7.448 4.040 1.00 0.00 O ATOM 528 CG2 THR A 39 -4.920 6.767 4.280 1.00 0.00 C ATOM 0 H THR A 39 -8.116 4.031 4.599 1.00 0.00 H new ATOM 0 HA THR A 39 -6.639 5.422 2.484 1.00 0.00 H new ATOM 0 HB THR A 39 -6.570 6.086 5.452 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.025 8.223 4.605 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.728 7.635 4.910 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.279 5.943 4.593 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.706 7.019 3.241 1.00 0.00 H new ATOM 536 N TRP A 40 -4.564 4.070 3.015 1.00 0.00 N ATOM 537 CA TRP A 40 -3.490 3.096 3.168 1.00 0.00 C ATOM 538 C TRP A 40 -2.396 3.631 4.084 1.00 0.00 C ATOM 539 O TRP A 40 -2.288 4.839 4.299 1.00 0.00 O ATOM 540 CB TRP A 40 -2.900 2.739 1.802 1.00 0.00 C ATOM 541 CG TRP A 40 -3.795 1.864 0.978 1.00 0.00 C ATOM 542 CD1 TRP A 40 -4.827 2.267 0.181 1.00 0.00 C ATOM 543 CD2 TRP A 40 -3.738 0.437 0.874 1.00 0.00 C ATOM 544 NE1 TRP A 40 -5.416 1.177 -0.414 1.00 0.00 N ATOM 545 CE2 TRP A 40 -4.765 0.043 -0.006 1.00 0.00 C ATOM 546 CE3 TRP A 40 -2.918 -0.545 1.435 1.00 0.00 C ATOM 547 CZ2 TRP A 40 -4.992 -1.291 -0.334 1.00 0.00 C ATOM 548 CZ3 TRP A 40 -3.145 -1.869 1.109 1.00 0.00 C ATOM 549 CH2 TRP A 40 -4.174 -2.232 0.231 1.00 0.00 C ATOM 0 H TRP A 40 -4.416 4.748 2.267 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.909 2.198 3.621 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.695 3.657 1.252 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.945 2.235 1.948 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.136 3.292 0.039 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -6.209 1.208 -1.055 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.121 -0.275 2.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -5.785 -1.573 -1.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.518 -2.636 1.539 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.325 -3.275 -0.005 1.00 0.00 H new ATOM 560 N PHE A 41 -1.585 2.726 4.622 1.00 0.00 N ATOM 561 CA PHE A 41 -0.499 3.108 5.517 1.00 0.00 C ATOM 562 C PHE A 41 0.811 2.450 5.094 1.00 0.00 C ATOM 563 O PHE A 41 0.812 1.412 4.431 1.00 0.00 O ATOM 564 CB PHE A 41 -0.836 2.719 6.958 1.00 0.00 C ATOM 565 CG PHE A 41 -1.617 3.769 7.695 1.00 0.00 C ATOM 566 CD1 PHE A 41 -2.833 4.219 7.205 1.00 0.00 C ATOM 567 CD2 PHE A 41 -1.137 4.306 8.878 1.00 0.00 C ATOM 568 CE1 PHE A 41 -3.553 5.186 7.880 1.00 0.00 C ATOM 569 CE2 PHE A 41 -1.853 5.273 9.559 1.00 0.00 C ATOM 570 CZ PHE A 41 -3.063 5.712 9.060 1.00 0.00 C ATOM 0 H PHE A 41 -1.659 1.723 4.454 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.378 4.190 5.459 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.407 1.791 6.951 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.090 2.520 7.498 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.222 3.809 6.285 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.192 3.965 9.273 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.498 5.530 7.486 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.466 5.684 10.480 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.626 6.465 9.591 1.00 0.00 H new ATOM 580 N LEU A 42 1.925 3.061 5.482 1.00 0.00 N ATOM 581 CA LEU A 42 3.243 2.535 5.143 1.00 0.00 C ATOM 582 C LEU A 42 4.217 2.719 6.303 1.00 0.00 C ATOM 583 O LEU A 42 4.575 3.843 6.653 1.00 0.00 O ATOM 584 CB LEU A 42 3.785 3.230 3.892 1.00 0.00 C ATOM 585 CG LEU A 42 5.172 2.787 3.427 1.00 0.00 C ATOM 586 CD1 LEU A 42 5.080 1.502 2.619 1.00 0.00 C ATOM 587 CD2 LEU A 42 5.836 3.886 2.610 1.00 0.00 C ATOM 0 H LEU A 42 1.942 3.920 6.031 1.00 0.00 H new ATOM 0 HA LEU A 42 3.141 1.468 4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.081 3.067 3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.812 4.303 4.080 1.00 0.00 H new ATOM 0 HG LEU A 42 5.785 2.595 4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.077 1.203 2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.646 0.715 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.450 1.666 1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.823 3.554 2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.224 4.110 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.937 4.783 3.221 1.00 0.00 H new ATOM 599 N ASN A 43 4.644 1.607 6.892 1.00 0.00 N ATOM 600 CA ASN A 43 5.579 1.646 8.011 1.00 0.00 C ATOM 601 C ASN A 43 4.904 2.197 9.264 1.00 0.00 C ATOM 602 O ASN A 43 5.544 2.842 10.094 1.00 0.00 O ATOM 603 CB ASN A 43 6.797 2.501 7.656 1.00 0.00 C ATOM 604 CG ASN A 43 7.195 2.364 6.200 1.00 0.00 C ATOM 605 OD1 ASN A 43 7.103 1.148 5.673 1.00 0.00 O flip ATOM 606 ND2 ASN A 43 7.581 3.339 5.555 1.00 0.00 N flip ATOM 0 H ASN A 43 4.358 0.668 6.614 1.00 0.00 H new ATOM 0 HA ASN A 43 5.907 0.627 8.214 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.579 3.547 7.873 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.637 2.212 8.288 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.636 4.255 6.000 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.845 3.231 4.576 1.00 0.00 H new ATOM 613 N GLY A 44 3.607 1.938 9.394 1.00 0.00 N ATOM 614 CA GLY A 44 2.867 2.414 10.548 1.00 0.00 C ATOM 615 C GLY A 44 2.244 3.776 10.316 1.00 0.00 C ATOM 616 O GLY A 44 1.286 4.150 10.990 1.00 0.00 O ATOM 0 H GLY A 44 3.055 1.407 8.721 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.084 1.697 10.795 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.535 2.465 11.408 1.00 0.00 H new ATOM 620 N GLU A 45 2.792 4.520 9.360 1.00 0.00 N ATOM 621 CA GLU A 45 2.285 5.850 9.043 1.00 0.00 C ATOM 622 C GLU A 45 1.225 5.782 7.948 1.00 0.00 C ATOM 623 O GLU A 45 0.924 4.708 7.429 1.00 0.00 O ATOM 624 CB GLU A 45 3.430 6.766 8.604 1.00 0.00 C ATOM 625 CG GLU A 45 3.667 6.765 7.103 1.00 0.00 C ATOM 626 CD GLU A 45 5.069 7.212 6.734 1.00 0.00 C ATOM 627 OE1 GLU A 45 5.298 8.437 6.652 1.00 0.00 O ATOM 628 OE2 GLU A 45 5.936 6.337 6.527 1.00 0.00 O ATOM 0 H GLU A 45 3.586 4.225 8.792 1.00 0.00 H new ATOM 0 HA GLU A 45 1.827 6.260 9.943 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.215 7.784 8.929 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.346 6.457 9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.495 5.762 6.712 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.942 7.423 6.624 1.00 0.00 H new ATOM 635 N GLU A 46 0.663 6.936 7.604 1.00 0.00 N ATOM 636 CA GLU A 46 -0.365 7.007 6.571 1.00 0.00 C ATOM 637 C GLU A 46 0.218 7.520 5.258 1.00 0.00 C ATOM 638 O GLU A 46 0.748 8.630 5.192 1.00 0.00 O ATOM 639 CB GLU A 46 -1.511 7.914 7.023 1.00 0.00 C ATOM 640 CG GLU A 46 -2.532 8.193 5.933 1.00 0.00 C ATOM 641 CD GLU A 46 -2.171 9.401 5.090 1.00 0.00 C ATOM 642 OE1 GLU A 46 -1.441 10.279 5.596 1.00 0.00 O ATOM 643 OE2 GLU A 46 -2.617 9.467 3.926 1.00 0.00 O ATOM 0 H GLU A 46 0.901 7.834 8.025 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.751 6.001 6.408 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.015 7.453 7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.098 8.860 7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.618 7.318 5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.510 8.351 6.388 1.00 0.00 H new ATOM 650 N LEU A 47 0.116 6.705 4.214 1.00 0.00 N ATOM 651 CA LEU A 47 0.633 7.075 2.901 1.00 0.00 C ATOM 652 C LEU A 47 -0.018 8.361 2.402 1.00 0.00 C ATOM 653 O LEU A 47 -1.126 8.342 1.866 1.00 0.00 O ATOM 654 CB LEU A 47 0.391 5.946 1.899 1.00 0.00 C ATOM 655 CG LEU A 47 1.364 4.768 1.967 1.00 0.00 C ATOM 656 CD1 LEU A 47 0.747 3.529 1.336 1.00 0.00 C ATOM 657 CD2 LEU A 47 2.677 5.119 1.283 1.00 0.00 C ATOM 0 H LEU A 47 -0.320 5.784 4.251 1.00 0.00 H new ATOM 0 HA LEU A 47 1.706 7.245 2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.620 5.566 2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.429 6.365 0.894 1.00 0.00 H new ATOM 0 HG LEU A 47 1.570 4.553 3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.454 2.701 1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.166 3.265 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.510 3.732 0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.356 4.269 1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.489 5.362 0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.128 5.978 1.780 1.00 0.00 H new ATOM 910 N ARG A 64 0.774 2.369 -7.191 1.00 0.00 N ATOM 911 CA ARG A 64 -0.571 2.496 -7.740 1.00 0.00 C ATOM 912 C ARG A 64 -1.621 2.145 -6.690 1.00 0.00 C ATOM 913 O ARG A 64 -1.524 1.117 -6.019 1.00 0.00 O ATOM 914 CB ARG A 64 -0.734 1.591 -8.962 1.00 0.00 C ATOM 915 CG ARG A 64 -2.023 1.834 -9.732 1.00 0.00 C ATOM 916 CD ARG A 64 -2.262 0.750 -10.771 1.00 0.00 C ATOM 917 NE ARG A 64 -2.876 -0.440 -10.190 1.00 0.00 N ATOM 918 CZ ARG A 64 -3.476 -1.383 -10.908 1.00 0.00 C ATOM 919 NH1 ARG A 64 -3.542 -1.275 -12.228 1.00 0.00 N ATOM 920 NH2 ARG A 64 -4.011 -2.438 -10.306 1.00 0.00 N ATOM 0 HA ARG A 64 -0.717 3.533 -8.043 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.113 1.742 -9.631 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.704 0.550 -8.640 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.863 1.866 -9.038 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.978 2.806 -10.222 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.904 1.140 -11.561 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.314 0.478 -11.236 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.843 -0.554 -9.177 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.131 -0.466 -12.695 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.003 -2.001 -12.777 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.962 -2.525 -9.291 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.471 -3.161 -10.858 1.00 0.00 H new ATOM 934 N ILE A 65 -2.624 3.006 -6.553 1.00 0.00 N ATOM 935 CA ILE A 65 -3.692 2.787 -5.585 1.00 0.00 C ATOM 936 C ILE A 65 -5.048 2.687 -6.276 1.00 0.00 C ATOM 937 O ILE A 65 -5.625 3.696 -6.681 1.00 0.00 O ATOM 938 CB ILE A 65 -3.744 3.915 -4.539 1.00 0.00 C ATOM 939 CG1 ILE A 65 -2.433 3.972 -3.752 1.00 0.00 C ATOM 940 CG2 ILE A 65 -4.924 3.712 -3.599 1.00 0.00 C ATOM 941 CD1 ILE A 65 -2.370 5.116 -2.764 1.00 0.00 C ATOM 0 H ILE A 65 -2.719 3.862 -7.100 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.473 1.846 -5.081 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.876 4.865 -5.057 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.299 3.032 -3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.602 4.061 -4.452 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.947 4.518 -2.865 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.851 3.717 -4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.820 2.756 -3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.413 5.094 -2.242 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.472 6.062 -3.296 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.180 5.017 -2.041 1.00 0.00 H new ATOM 953 N GLU A 66 -5.551 1.463 -6.407 1.00 0.00 N ATOM 954 CA GLU A 66 -6.840 1.232 -7.048 1.00 0.00 C ATOM 955 C GLU A 66 -7.932 1.003 -6.008 1.00 0.00 C ATOM 956 O GLU A 66 -7.940 -0.015 -5.317 1.00 0.00 O ATOM 957 CB GLU A 66 -6.757 0.029 -7.990 1.00 0.00 C ATOM 958 CG GLU A 66 -5.772 0.216 -9.132 1.00 0.00 C ATOM 959 CD GLU A 66 -6.378 0.953 -10.311 1.00 0.00 C ATOM 960 OE1 GLU A 66 -7.084 1.957 -10.084 1.00 0.00 O ATOM 961 OE2 GLU A 66 -6.145 0.524 -11.460 1.00 0.00 O ATOM 0 H GLU A 66 -5.086 0.617 -6.078 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.094 2.121 -7.626 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.471 -0.852 -7.416 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.746 -0.167 -8.403 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.904 0.767 -8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.415 -0.760 -9.463 1.00 0.00 H new ATOM 1014 N LEU A 70 -15.472 -2.503 -2.592 1.00 0.00 N ATOM 1015 CA LEU A 70 -14.920 -3.480 -1.660 1.00 0.00 C ATOM 1016 C LEU A 70 -13.712 -4.187 -2.265 1.00 0.00 C ATOM 1017 O LEU A 70 -13.476 -5.366 -2.004 1.00 0.00 O ATOM 1018 CB LEU A 70 -15.986 -4.506 -1.275 1.00 0.00 C ATOM 1019 CG LEU A 70 -16.979 -4.887 -2.374 1.00 0.00 C ATOM 1020 CD1 LEU A 70 -17.440 -6.326 -2.203 1.00 0.00 C ATOM 1021 CD2 LEU A 70 -18.170 -3.939 -2.367 1.00 0.00 C ATOM 0 HA LEU A 70 -14.596 -2.949 -0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.484 -5.412 -0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.547 -4.116 -0.426 1.00 0.00 H new ATOM 0 HG LEU A 70 -16.476 -4.801 -3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.146 -6.578 -2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.579 -6.993 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.926 -6.440 -1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -18.867 -4.224 -3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -18.673 -3.993 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -17.825 -2.920 -2.540 1.00 0.00 H new ATOM 1033 N GLN A 71 -12.949 -3.458 -3.073 1.00 0.00 N ATOM 1034 CA GLN A 71 -11.764 -4.016 -3.714 1.00 0.00 C ATOM 1035 C GLN A 71 -10.662 -2.968 -3.828 1.00 0.00 C ATOM 1036 O GLN A 71 -10.739 -2.058 -4.655 1.00 0.00 O ATOM 1037 CB GLN A 71 -12.115 -4.557 -5.101 1.00 0.00 C ATOM 1038 CG GLN A 71 -11.236 -5.715 -5.543 1.00 0.00 C ATOM 1039 CD GLN A 71 -11.801 -6.453 -6.741 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -12.791 -7.176 -6.629 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -11.173 -6.273 -7.897 1.00 0.00 N ATOM 0 H GLN A 71 -13.130 -2.480 -3.299 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.399 -4.835 -3.094 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.156 -4.881 -5.103 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.031 -3.750 -5.829 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.243 -5.339 -5.788 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -11.117 -6.413 -4.714 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.356 -5.664 -7.944 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.508 -6.743 -8.738 1.00 0.00 H new ATOM 1050 N HIS A 72 -9.636 -3.101 -2.993 1.00 0.00 N ATOM 1051 CA HIS A 72 -8.518 -2.165 -3.000 1.00 0.00 C ATOM 1052 C HIS A 72 -7.206 -2.888 -3.289 1.00 0.00 C ATOM 1053 O HIS A 72 -7.048 -4.063 -2.956 1.00 0.00 O ATOM 1054 CB HIS A 72 -8.428 -1.434 -1.660 1.00 0.00 C ATOM 1055 CG HIS A 72 -9.672 -0.680 -1.304 1.00 0.00 C ATOM 1056 ND1 HIS A 72 -9.747 0.696 -1.319 1.00 0.00 N ATOM 1057 CD2 HIS A 72 -10.894 -1.119 -0.923 1.00 0.00 C ATOM 1058 CE1 HIS A 72 -10.962 1.072 -0.961 1.00 0.00 C ATOM 1059 NE2 HIS A 72 -11.678 -0.011 -0.716 1.00 0.00 N ATOM 0 H HIS A 72 -9.556 -3.848 -2.303 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.692 -1.436 -3.791 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.215 -2.158 -0.874 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.588 -0.740 -1.690 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.196 -2.149 -0.804 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -11.311 2.091 -0.882 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -12.654 -0.022 -0.421 1.00 0.00 H new ATOM 1067 N ARG A 73 -6.269 -2.179 -3.909 1.00 0.00 N ATOM 1068 CA ARG A 73 -4.971 -2.755 -4.244 1.00 0.00 C ATOM 1069 C ARG A 73 -3.886 -1.682 -4.247 1.00 0.00 C ATOM 1070 O ARG A 73 -4.112 -0.555 -4.689 1.00 0.00 O ATOM 1071 CB ARG A 73 -5.031 -3.440 -5.610 1.00 0.00 C ATOM 1072 CG ARG A 73 -3.892 -4.417 -5.851 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.006 -5.079 -7.215 1.00 0.00 C ATOM 1074 NE ARG A 73 -3.218 -6.306 -7.296 1.00 0.00 N ATOM 1075 CZ ARG A 73 -3.686 -7.504 -6.961 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -4.932 -7.634 -6.527 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -2.907 -8.573 -7.062 1.00 0.00 N ATOM 0 H ARG A 73 -6.384 -1.205 -4.190 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.723 -3.497 -3.485 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.979 -3.971 -5.700 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.017 -2.679 -6.390 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.939 -3.892 -5.778 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.895 -5.181 -5.073 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.052 -5.306 -7.421 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.673 -4.383 -7.985 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.256 -6.240 -7.628 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.533 -6.814 -6.450 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.289 -8.554 -6.270 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.948 -8.476 -7.397 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.267 -9.492 -6.805 1.00 0.00 H new ATOM 1091 N LEU A 74 -2.707 -2.041 -3.750 1.00 0.00 N ATOM 1092 CA LEU A 74 -1.585 -1.110 -3.695 1.00 0.00 C ATOM 1093 C LEU A 74 -0.307 -1.766 -4.208 1.00 0.00 C ATOM 1094 O LEU A 74 0.331 -2.544 -3.497 1.00 0.00 O ATOM 1095 CB LEU A 74 -1.378 -0.613 -2.263 1.00 0.00 C ATOM 1096 CG LEU A 74 -0.066 0.122 -1.990 1.00 0.00 C ATOM 1097 CD1 LEU A 74 -0.012 1.425 -2.773 1.00 0.00 C ATOM 1098 CD2 LEU A 74 0.098 0.386 -0.501 1.00 0.00 C ATOM 0 H LEU A 74 -2.503 -2.969 -3.380 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.818 -0.261 -4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.203 0.052 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.438 -1.469 -1.591 1.00 0.00 H new ATOM 0 HG LEU A 74 0.758 -0.511 -2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.929 1.935 -2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.083 1.212 -3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.844 2.063 -2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.038 0.910 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.731 0.999 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.105 -0.561 0.038 1.00 0.00 H new ATOM 1110 N ILE A 75 0.062 -1.445 -5.443 1.00 0.00 N ATOM 1111 CA ILE A 75 1.266 -2.001 -6.049 1.00 0.00 C ATOM 1112 C ILE A 75 2.421 -1.007 -5.989 1.00 0.00 C ATOM 1113 O ILE A 75 2.290 0.140 -6.418 1.00 0.00 O ATOM 1114 CB ILE A 75 1.024 -2.403 -7.516 1.00 0.00 C ATOM 1115 CG1 ILE A 75 -0.219 -3.287 -7.627 1.00 0.00 C ATOM 1116 CG2 ILE A 75 2.243 -3.121 -8.076 1.00 0.00 C ATOM 1117 CD1 ILE A 75 -1.493 -2.509 -7.875 1.00 0.00 C ATOM 0 H ILE A 75 -0.455 -0.803 -6.044 1.00 0.00 H new ATOM 0 HA ILE A 75 1.526 -2.891 -5.476 1.00 0.00 H new ATOM 0 HB ILE A 75 0.857 -1.499 -8.102 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.076 -4.002 -8.437 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.328 -3.864 -6.709 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.057 -3.399 -9.113 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.109 -2.461 -8.027 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.438 -4.019 -7.489 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.334 -3.200 -7.943 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.660 -1.813 -7.053 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.404 -1.953 -8.808 1.00 0.00 H new ATOM 1129 N LEU A 76 3.552 -1.455 -5.455 1.00 0.00 N ATOM 1130 CA LEU A 76 4.733 -0.605 -5.341 1.00 0.00 C ATOM 1131 C LEU A 76 5.837 -1.078 -6.281 1.00 0.00 C ATOM 1132 O LEU A 76 6.584 -2.003 -5.962 1.00 0.00 O ATOM 1133 CB LEU A 76 5.243 -0.599 -3.898 1.00 0.00 C ATOM 1134 CG LEU A 76 4.206 -0.278 -2.821 1.00 0.00 C ATOM 1135 CD1 LEU A 76 4.587 -0.933 -1.502 1.00 0.00 C ATOM 1136 CD2 LEU A 76 4.063 1.227 -2.650 1.00 0.00 C ATOM 0 H LEU A 76 3.677 -2.401 -5.094 1.00 0.00 H new ATOM 0 HA LEU A 76 4.450 0.409 -5.624 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.672 -1.577 -3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.052 0.127 -3.823 1.00 0.00 H new ATOM 0 HG LEU A 76 3.244 -0.680 -3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.838 -0.694 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.637 -2.014 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.559 -0.561 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.321 1.437 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.022 1.652 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.743 1.672 -3.592 1.00 0.00 H new ATOM 1148 N HIS A 77 5.935 -0.434 -7.440 1.00 0.00 N ATOM 1149 CA HIS A 77 6.951 -0.787 -8.426 1.00 0.00 C ATOM 1150 C HIS A 77 8.300 -0.177 -8.058 1.00 0.00 C ATOM 1151 O HIS A 77 8.392 1.012 -7.755 1.00 0.00 O ATOM 1152 CB HIS A 77 6.527 -0.315 -9.817 1.00 0.00 C ATOM 1153 CG HIS A 77 5.042 -0.282 -10.011 1.00 0.00 C ATOM 1154 ND1 HIS A 77 4.111 0.595 -9.568 1.00 0.00 N flip ATOM 1155 CD2 HIS A 77 4.356 -1.233 -10.737 1.00 0.00 C flip ATOM 1156 CE1 HIS A 77 2.892 0.162 -10.030 1.00 0.00 C flip ATOM 1157 NE2 HIS A 77 3.068 -0.942 -10.733 1.00 0.00 N flip ATOM 0 H HIS A 77 5.324 0.334 -7.719 1.00 0.00 H new ATOM 0 HA HIS A 77 7.053 -1.872 -8.434 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.930 0.682 -9.992 1.00 0.00 H new ATOM 0 HB3 HIS A 77 6.968 -0.973 -10.565 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.803 -2.083 -11.232 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.944 0.646 -9.848 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.334 -1.479 -11.195 1.00 0.00 H new ATOM 1166 N ALA A 78 9.344 -0.999 -8.087 1.00 0.00 N ATOM 1167 CA ALA A 78 10.687 -0.540 -7.758 1.00 0.00 C ATOM 1168 C ALA A 78 10.824 -0.268 -6.264 1.00 0.00 C ATOM 1169 O ALA A 78 11.209 0.827 -5.855 1.00 0.00 O ATOM 1170 CB ALA A 78 11.029 0.708 -8.557 1.00 0.00 C ATOM 0 H ALA A 78 9.285 -1.987 -8.335 1.00 0.00 H new ATOM 0 HA ALA A 78 11.389 -1.331 -8.022 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.035 1.040 -8.301 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.981 0.482 -9.622 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.316 1.498 -8.321 1.00 0.00 H new ATOM 1176 N VAL A 79 10.506 -1.272 -5.452 1.00 0.00 N ATOM 1177 CA VAL A 79 10.593 -1.141 -4.003 1.00 0.00 C ATOM 1178 C VAL A 79 12.039 -0.958 -3.554 1.00 0.00 C ATOM 1179 O VAL A 79 12.974 -1.218 -4.312 1.00 0.00 O ATOM 1180 CB VAL A 79 9.998 -2.370 -3.291 1.00 0.00 C ATOM 1181 CG1 VAL A 79 8.487 -2.407 -3.463 1.00 0.00 C ATOM 1182 CG2 VAL A 79 10.634 -3.649 -3.815 1.00 0.00 C ATOM 0 H VAL A 79 10.186 -2.185 -5.774 1.00 0.00 H new ATOM 0 HA VAL A 79 10.016 -0.258 -3.730 1.00 0.00 H new ATOM 0 HB VAL A 79 10.217 -2.293 -2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 79 8.084 -3.282 -2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 79 8.050 -1.505 -3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.243 -2.461 -4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 79 10.202 -4.507 -3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.448 -3.736 -4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.709 -3.621 -3.635 1.00 0.00 H new ATOM 1192 N LYS A 80 12.216 -0.510 -2.316 1.00 0.00 N ATOM 1193 CA LYS A 80 13.548 -0.293 -1.764 1.00 0.00 C ATOM 1194 C LYS A 80 13.822 -1.256 -0.613 1.00 0.00 C ATOM 1195 O LYS A 80 12.904 -1.673 0.093 1.00 0.00 O ATOM 1196 CB LYS A 80 13.693 1.152 -1.280 1.00 0.00 C ATOM 1197 CG LYS A 80 13.278 2.184 -2.314 1.00 0.00 C ATOM 1198 CD LYS A 80 14.176 2.139 -3.538 1.00 0.00 C ATOM 1199 CE LYS A 80 15.571 2.657 -3.225 1.00 0.00 C ATOM 1200 NZ LYS A 80 16.427 2.716 -4.442 1.00 0.00 N ATOM 0 H LYS A 80 11.453 -0.290 -1.675 1.00 0.00 H new ATOM 0 HA LYS A 80 14.277 -0.480 -2.553 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.091 1.288 -0.382 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.731 1.329 -0.998 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.245 2.006 -2.613 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.315 3.179 -1.871 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.241 1.115 -3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.735 2.737 -4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.499 3.651 -2.783 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.040 2.012 -2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.369 3.074 -4.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.517 1.763 -4.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.993 3.352 -5.141 1.00 0.00 H new ATOM 1214 N HIS A 81 15.092 -1.603 -0.428 1.00 0.00 N ATOM 1215 CA HIS A 81 15.487 -2.515 0.639 1.00 0.00 C ATOM 1216 C HIS A 81 15.458 -1.813 1.993 1.00 0.00 C ATOM 1217 O HIS A 81 14.949 -2.356 2.973 1.00 0.00 O ATOM 1218 CB HIS A 81 16.886 -3.072 0.371 1.00 0.00 C ATOM 1219 CG HIS A 81 17.500 -3.747 1.559 1.00 0.00 C ATOM 1220 ND1 HIS A 81 16.945 -4.855 2.165 1.00 0.00 N ATOM 1221 CD2 HIS A 81 18.628 -3.466 2.252 1.00 0.00 C ATOM 1222 CE1 HIS A 81 17.705 -5.225 3.180 1.00 0.00 C ATOM 1223 NE2 HIS A 81 18.733 -4.399 3.255 1.00 0.00 N ATOM 0 H HIS A 81 15.864 -1.266 -1.003 1.00 0.00 H new ATOM 0 HA HIS A 81 14.774 -3.339 0.661 1.00 0.00 H new ATOM 0 HB2 HIS A 81 16.833 -3.783 -0.453 1.00 0.00 H new ATOM 0 HB3 HIS A 81 17.536 -2.259 0.049 1.00 0.00 H new ATOM 0 HD1 HIS A 81 16.083 -5.316 1.875 1.00 0.00 H new ATOM 0 HD2 HIS A 81 19.317 -2.659 2.054 1.00 0.00 H new ATOM 0 HE1 HIS A 81 17.518 -6.061 3.837 1.00 0.00 H new ATOM 1232 N GLN A 82 16.006 -0.603 2.039 1.00 0.00 N ATOM 1233 CA GLN A 82 16.043 0.173 3.273 1.00 0.00 C ATOM 1234 C GLN A 82 14.703 0.106 3.998 1.00 0.00 C ATOM 1235 O GLN A 82 14.642 0.222 5.222 1.00 0.00 O ATOM 1236 CB GLN A 82 16.403 1.629 2.975 1.00 0.00 C ATOM 1237 CG GLN A 82 15.420 2.320 2.044 1.00 0.00 C ATOM 1238 CD GLN A 82 16.035 3.501 1.318 1.00 0.00 C ATOM 1239 OE1 GLN A 82 16.931 3.337 0.489 1.00 0.00 O ATOM 1240 NE2 GLN A 82 15.556 4.700 1.627 1.00 0.00 N ATOM 0 H GLN A 82 16.430 -0.139 1.236 1.00 0.00 H new ATOM 0 HA GLN A 82 16.808 -0.257 3.920 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.452 2.182 3.913 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.398 1.665 2.531 1.00 0.00 H new ATOM 0 HG2 GLN A 82 15.051 1.601 1.313 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.559 2.660 2.619 1.00 0.00 H new ATOM 0 HE21 GLN A 82 14.813 4.789 2.320 1.00 0.00 H new ATOM 0 HE22 GLN A 82 15.931 5.532 1.171 1.00 0.00 H new ATOM 1249 N ASP A 83 13.632 -0.081 3.235 1.00 0.00 N ATOM 1250 CA ASP A 83 12.292 -0.164 3.805 1.00 0.00 C ATOM 1251 C ASP A 83 11.875 -1.618 4.005 1.00 0.00 C ATOM 1252 O ASP A 83 10.694 -1.953 3.919 1.00 0.00 O ATOM 1253 CB ASP A 83 11.285 0.548 2.900 1.00 0.00 C ATOM 1254 CG ASP A 83 10.101 1.098 3.671 1.00 0.00 C ATOM 1255 OD1 ASP A 83 10.324 1.839 4.652 1.00 0.00 O ATOM 1256 OD2 ASP A 83 8.952 0.787 3.295 1.00 0.00 O ATOM 0 H ASP A 83 13.665 -0.178 2.220 1.00 0.00 H new ATOM 0 HA ASP A 83 12.307 0.328 4.778 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.784 1.363 2.377 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.929 -0.148 2.140 1.00 0.00 H new ATOM 1261 N SER A 84 12.854 -2.477 4.271 1.00 0.00 N ATOM 1262 CA SER A 84 12.589 -3.896 4.479 1.00 0.00 C ATOM 1263 C SER A 84 11.517 -4.099 5.545 1.00 0.00 C ATOM 1264 O SER A 84 11.285 -3.227 6.382 1.00 0.00 O ATOM 1265 CB SER A 84 13.873 -4.621 4.887 1.00 0.00 C ATOM 1266 OG SER A 84 13.681 -6.025 4.906 1.00 0.00 O ATOM 0 H SER A 84 13.837 -2.215 4.348 1.00 0.00 H new ATOM 0 HA SER A 84 12.226 -4.314 3.540 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.673 -4.369 4.191 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.189 -4.280 5.873 1.00 0.00 H new ATOM 0 HG SER A 84 14.015 -6.412 4.070 1.00 0.00 H new ATOM 1272 N GLY A 85 10.865 -5.257 5.507 1.00 0.00 N ATOM 1273 CA GLY A 85 9.824 -5.554 6.474 1.00 0.00 C ATOM 1274 C GLY A 85 8.919 -4.367 6.735 1.00 0.00 C ATOM 1275 O GLY A 85 8.611 -4.054 7.885 1.00 0.00 O ATOM 0 H GLY A 85 11.039 -5.995 4.824 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.226 -6.391 6.113 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.282 -5.870 7.411 1.00 0.00 H new ATOM 1279 N ALA A 86 8.493 -3.703 5.666 1.00 0.00 N ATOM 1280 CA ALA A 86 7.618 -2.543 5.785 1.00 0.00 C ATOM 1281 C ALA A 86 6.230 -2.951 6.269 1.00 0.00 C ATOM 1282 O ALA A 86 5.902 -4.137 6.319 1.00 0.00 O ATOM 1283 CB ALA A 86 7.522 -1.815 4.453 1.00 0.00 C ATOM 0 H ALA A 86 8.740 -3.948 4.707 1.00 0.00 H new ATOM 0 HA ALA A 86 8.049 -1.868 6.524 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.865 -0.951 4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.514 -1.482 4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.118 -2.489 3.698 1.00 0.00 H new ATOM 1289 N LEU A 87 5.419 -1.961 6.624 1.00 0.00 N ATOM 1290 CA LEU A 87 4.066 -2.216 7.105 1.00 0.00 C ATOM 1291 C LEU A 87 3.031 -1.587 6.178 1.00 0.00 C ATOM 1292 O LEU A 87 2.899 -0.364 6.116 1.00 0.00 O ATOM 1293 CB LEU A 87 3.895 -1.670 8.524 1.00 0.00 C ATOM 1294 CG LEU A 87 2.901 -2.415 9.415 1.00 0.00 C ATOM 1295 CD1 LEU A 87 1.549 -2.527 8.729 1.00 0.00 C ATOM 1296 CD2 LEU A 87 3.435 -3.794 9.773 1.00 0.00 C ATOM 0 H LEU A 87 5.675 -0.974 6.588 1.00 0.00 H new ATOM 0 HA LEU A 87 3.909 -3.295 7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.868 -1.678 9.014 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.581 -0.628 8.456 1.00 0.00 H new ATOM 0 HG LEU A 87 2.772 -1.847 10.336 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.855 -3.060 9.378 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.161 -1.529 8.524 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.661 -3.072 7.792 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.714 -4.310 10.408 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.594 -4.370 8.862 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.380 -3.691 10.307 1.00 0.00 H new ATOM 1308 N VAL A 88 2.296 -2.430 5.460 1.00 0.00 N ATOM 1309 CA VAL A 88 1.270 -1.957 4.539 1.00 0.00 C ATOM 1310 C VAL A 88 -0.121 -2.369 5.007 1.00 0.00 C ATOM 1311 O VAL A 88 -0.460 -3.552 5.016 1.00 0.00 O ATOM 1312 CB VAL A 88 1.502 -2.497 3.115 1.00 0.00 C ATOM 1313 CG1 VAL A 88 0.490 -1.903 2.147 1.00 0.00 C ATOM 1314 CG2 VAL A 88 2.923 -2.205 2.659 1.00 0.00 C ATOM 0 H VAL A 88 2.392 -3.445 5.499 1.00 0.00 H new ATOM 0 HA VAL A 88 1.337 -0.869 4.522 1.00 0.00 H new ATOM 0 HB VAL A 88 1.365 -3.578 3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.670 -2.296 1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.518 -2.169 2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.592 -0.818 2.134 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.069 -2.594 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.092 -1.128 2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.629 -2.684 3.338 1.00 0.00 H new ATOM 1324 N GLY A 89 -0.925 -1.384 5.394 1.00 0.00 N ATOM 1325 CA GLY A 89 -2.272 -1.664 5.858 1.00 0.00 C ATOM 1326 C GLY A 89 -3.276 -0.636 5.377 1.00 0.00 C ATOM 1327 O GLY A 89 -2.921 0.511 5.105 1.00 0.00 O ATOM 0 H GLY A 89 -0.668 -0.397 5.395 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.574 -2.652 5.512 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.279 -1.692 6.948 1.00 0.00 H new ATOM 1331 N PHE A 90 -4.536 -1.047 5.269 1.00 0.00 N ATOM 1332 CA PHE A 90 -5.595 -0.154 4.814 1.00 0.00 C ATOM 1333 C PHE A 90 -6.554 0.177 5.954 1.00 0.00 C ATOM 1334 O PHE A 90 -7.362 -0.658 6.362 1.00 0.00 O ATOM 1335 CB PHE A 90 -6.364 -0.789 3.654 1.00 0.00 C ATOM 1336 CG PHE A 90 -7.715 -0.176 3.422 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -7.844 0.990 2.685 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -8.856 -0.765 3.942 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -9.086 1.557 2.471 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -10.101 -0.202 3.731 1.00 0.00 C ATOM 1341 CZ PHE A 90 -10.216 0.960 2.994 1.00 0.00 C ATOM 0 H PHE A 90 -4.848 -1.993 5.490 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.133 0.772 4.471 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.772 -0.698 2.743 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.486 -1.854 3.850 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.964 1.461 2.273 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -8.772 -1.674 4.519 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.173 2.466 1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -10.983 -0.671 4.142 1.00 0.00 H new ATOM 0 HZ PHE A 90 -11.188 1.401 2.827 1.00 0.00 H new ATOM 1351 N SER A 91 -6.458 1.401 6.464 1.00 0.00 N ATOM 1352 CA SER A 91 -7.313 1.841 7.560 1.00 0.00 C ATOM 1353 C SER A 91 -8.600 2.465 7.027 1.00 0.00 C ATOM 1354 O SER A 91 -8.567 3.332 6.153 1.00 0.00 O ATOM 1355 CB SER A 91 -6.571 2.849 8.441 1.00 0.00 C ATOM 1356 OG SER A 91 -6.144 3.968 7.685 1.00 0.00 O ATOM 0 H SER A 91 -5.797 2.105 6.136 1.00 0.00 H new ATOM 0 HA SER A 91 -7.573 0.968 8.159 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.223 3.180 9.249 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.709 2.368 8.903 1.00 0.00 H new ATOM 0 HG SER A 91 -5.165 3.979 7.642 1.00 0.00 H new ATOM 1362 N CYS A 92 -9.731 2.017 7.561 1.00 0.00 N ATOM 1363 CA CYS A 92 -11.030 2.530 7.140 1.00 0.00 C ATOM 1364 C CYS A 92 -12.020 2.520 8.300 1.00 0.00 C ATOM 1365 O CYS A 92 -11.874 1.773 9.267 1.00 0.00 O ATOM 1366 CB CYS A 92 -11.578 1.698 5.979 1.00 0.00 C ATOM 1367 SG CYS A 92 -12.670 0.349 6.488 1.00 0.00 S ATOM 0 H CYS A 92 -9.775 1.300 8.286 1.00 0.00 H new ATOM 0 HA CYS A 92 -10.897 3.560 6.809 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -12.122 2.355 5.300 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -10.741 1.282 5.418 1.00 0.00 H new ATOM 0 HG CYS A 92 -13.083 -0.295 5.437 1.00 0.00 H new ATOM 1373 N PRO A 93 -13.053 3.371 8.203 1.00 0.00 N ATOM 1374 CA PRO A 93 -14.087 3.481 9.236 1.00 0.00 C ATOM 1375 C PRO A 93 -14.982 2.247 9.294 1.00 0.00 C ATOM 1376 O PRO A 93 -16.099 2.254 8.778 1.00 0.00 O ATOM 1377 CB PRO A 93 -14.894 4.707 8.802 1.00 0.00 C ATOM 1378 CG PRO A 93 -14.685 4.796 7.330 1.00 0.00 C ATOM 1379 CD PRO A 93 -13.291 4.291 7.078 1.00 0.00 C ATOM 0 HA PRO A 93 -13.658 3.568 10.234 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -15.950 4.592 9.046 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -14.547 5.609 9.306 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.420 4.195 6.795 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.797 5.823 6.981 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -13.216 3.780 6.118 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.565 5.104 7.064 1.00 0.00 H new ATOM 1387 N GLY A 94 -14.484 1.189 9.927 1.00 0.00 N ATOM 1388 CA GLY A 94 -15.252 -0.037 10.040 1.00 0.00 C ATOM 1389 C GLY A 94 -14.381 -1.275 9.973 1.00 0.00 C ATOM 1390 O GLY A 94 -14.801 -2.362 10.372 1.00 0.00 O ATOM 0 H GLY A 94 -13.563 1.159 10.363 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.800 -0.033 10.982 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.992 -0.073 9.241 1.00 0.00 H new ATOM 1394 N VAL A 95 -13.163 -1.114 9.464 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.231 -2.228 9.344 1.00 0.00 C ATOM 1396 C VAL A 95 -10.804 -1.785 9.646 1.00 0.00 C ATOM 1397 O VAL A 95 -10.421 -0.651 9.357 1.00 0.00 O ATOM 1398 CB VAL A 95 -12.276 -2.849 7.935 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -11.164 -3.873 7.767 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.636 -3.478 7.674 1.00 0.00 C ATOM 0 H VAL A 95 -12.799 -0.222 9.128 1.00 0.00 H new ATOM 0 HA VAL A 95 -12.538 -2.978 10.073 1.00 0.00 H new ATOM 0 HB VAL A 95 -12.121 -2.057 7.202 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -11.212 -4.301 6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -10.198 -3.388 7.909 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -11.284 -4.665 8.506 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.650 -3.912 6.674 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.823 -4.259 8.411 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.410 -2.715 7.749 1.00 0.00 H new ATOM 1410 N GLN A 96 -10.021 -2.686 10.230 1.00 0.00 N ATOM 1411 CA GLN A 96 -8.635 -2.388 10.572 1.00 0.00 C ATOM 1412 C GLN A 96 -7.753 -3.619 10.393 1.00 0.00 C ATOM 1413 O GLN A 96 -7.860 -4.586 11.146 1.00 0.00 O ATOM 1414 CB GLN A 96 -8.541 -1.883 12.013 1.00 0.00 C ATOM 1415 CG GLN A 96 -9.426 -0.680 12.296 1.00 0.00 C ATOM 1416 CD GLN A 96 -9.261 -0.153 13.707 1.00 0.00 C ATOM 1417 OE1 GLN A 96 -8.235 0.440 14.044 1.00 0.00 O ATOM 1418 NE2 GLN A 96 -10.272 -0.365 14.541 1.00 0.00 N ATOM 0 H GLN A 96 -10.323 -3.629 10.476 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.280 -1.609 9.897 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.814 -2.692 12.691 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.506 -1.621 12.230 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.192 0.113 11.586 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.468 -0.955 12.134 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -11.103 -0.861 14.219 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -10.218 -0.032 15.504 1.00 0.00 H new ATOM 1427 N ASP A 97 -6.882 -3.575 9.390 1.00 0.00 N ATOM 1428 CA ASP A 97 -5.980 -4.687 9.113 1.00 0.00 C ATOM 1429 C ASP A 97 -4.724 -4.202 8.396 1.00 0.00 C ATOM 1430 O ASP A 97 -4.723 -3.138 7.776 1.00 0.00 O ATOM 1431 CB ASP A 97 -6.688 -5.746 8.266 1.00 0.00 C ATOM 1432 CG ASP A 97 -6.023 -7.105 8.365 1.00 0.00 C ATOM 1433 OD1 ASP A 97 -6.353 -7.860 9.304 1.00 0.00 O ATOM 1434 OD2 ASP A 97 -5.174 -7.414 7.503 1.00 0.00 O ATOM 0 H ASP A 97 -6.782 -2.782 8.756 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.686 -5.130 10.064 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.727 -5.829 8.586 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.700 -5.426 7.224 1.00 0.00 H new ATOM 1439 N SER A 98 -3.656 -4.987 8.488 1.00 0.00 N ATOM 1440 CA SER A 98 -2.391 -4.635 7.852 1.00 0.00 C ATOM 1441 C SER A 98 -1.548 -5.880 7.594 1.00 0.00 C ATOM 1442 O SER A 98 -1.734 -6.913 8.236 1.00 0.00 O ATOM 1443 CB SER A 98 -1.613 -3.651 8.728 1.00 0.00 C ATOM 1444 OG SER A 98 -1.194 -4.264 9.935 1.00 0.00 O ATOM 0 H SER A 98 -3.641 -5.871 8.997 1.00 0.00 H new ATOM 0 HA SER A 98 -2.612 -4.163 6.895 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.744 -3.282 8.183 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.238 -2.787 8.953 1.00 0.00 H new ATOM 0 HG SER A 98 -0.991 -3.573 10.600 1.00 0.00 H new ATOM 1450 N ALA A 99 -0.621 -5.773 6.648 1.00 0.00 N ATOM 1451 CA ALA A 99 0.253 -6.888 6.304 1.00 0.00 C ATOM 1452 C ALA A 99 1.720 -6.509 6.475 1.00 0.00 C ATOM 1453 O ALA A 99 2.039 -5.387 6.867 1.00 0.00 O ATOM 1454 CB ALA A 99 -0.013 -7.347 4.878 1.00 0.00 C ATOM 0 H ALA A 99 -0.456 -4.925 6.106 1.00 0.00 H new ATOM 0 HA ALA A 99 0.036 -7.711 6.985 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.647 -8.180 4.635 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.051 -7.667 4.787 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.174 -6.523 4.190 1.00 0.00 H new ATOM 1460 N ALA A 100 2.608 -7.452 6.178 1.00 0.00 N ATOM 1461 CA ALA A 100 4.042 -7.216 6.297 1.00 0.00 C ATOM 1462 C ALA A 100 4.729 -7.313 4.940 1.00 0.00 C ATOM 1463 O ALA A 100 4.447 -8.218 4.153 1.00 0.00 O ATOM 1464 CB ALA A 100 4.660 -8.203 7.276 1.00 0.00 C ATOM 0 H ALA A 100 2.360 -8.387 5.853 1.00 0.00 H new ATOM 0 HA ALA A 100 4.188 -6.205 6.677 1.00 0.00 H new ATOM 0 HB1 ALA A 100 5.731 -8.015 7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.197 -8.082 8.255 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.495 -9.220 6.920 1.00 0.00 H new ATOM 1470 N LEU A 101 5.632 -6.377 4.670 1.00 0.00 N ATOM 1471 CA LEU A 101 6.359 -6.357 3.406 1.00 0.00 C ATOM 1472 C LEU A 101 7.854 -6.560 3.634 1.00 0.00 C ATOM 1473 O LEU A 101 8.557 -5.646 4.066 1.00 0.00 O ATOM 1474 CB LEU A 101 6.119 -5.034 2.677 1.00 0.00 C ATOM 1475 CG LEU A 101 7.039 -4.744 1.490 1.00 0.00 C ATOM 1476 CD1 LEU A 101 6.721 -5.674 0.329 1.00 0.00 C ATOM 1477 CD2 LEU A 101 6.914 -3.290 1.061 1.00 0.00 C ATOM 0 H LEU A 101 5.878 -5.622 5.310 1.00 0.00 H new ATOM 0 HA LEU A 101 5.989 -7.177 2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.088 -5.019 2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.221 -4.222 3.397 1.00 0.00 H new ATOM 0 HG LEU A 101 8.068 -4.923 1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.385 -5.453 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.863 -6.708 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.686 -5.528 0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.576 -3.102 0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.884 -3.084 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.192 -2.641 1.891 1.00 0.00 H new ATOM 1489 N THR A 102 8.334 -7.765 3.341 1.00 0.00 N ATOM 1490 CA THR A 102 9.744 -8.088 3.513 1.00 0.00 C ATOM 1491 C THR A 102 10.534 -7.801 2.241 1.00 0.00 C ATOM 1492 O THR A 102 10.047 -8.029 1.133 1.00 0.00 O ATOM 1493 CB THR A 102 9.938 -9.566 3.901 1.00 0.00 C ATOM 1494 OG1 THR A 102 9.315 -9.827 5.164 1.00 0.00 O ATOM 1495 CG2 THR A 102 11.417 -9.916 3.978 1.00 0.00 C ATOM 0 H THR A 102 7.766 -8.533 2.983 1.00 0.00 H new ATOM 0 HA THR A 102 10.117 -7.456 4.319 1.00 0.00 H new ATOM 0 HB THR A 102 9.474 -10.184 3.132 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.441 -10.769 5.403 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.529 -10.965 4.254 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.883 -9.744 3.008 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.900 -9.290 4.728 1.00 0.00 H new ATOM 1503 N ILE A 103 11.753 -7.301 2.407 1.00 0.00 N ATOM 1504 CA ILE A 103 12.610 -6.985 1.271 1.00 0.00 C ATOM 1505 C ILE A 103 14.052 -7.406 1.536 1.00 0.00 C ATOM 1506 O ILE A 103 14.674 -6.954 2.497 1.00 0.00 O ATOM 1507 CB ILE A 103 12.579 -5.480 0.944 1.00 0.00 C ATOM 1508 CG1 ILE A 103 11.137 -5.010 0.742 1.00 0.00 C ATOM 1509 CG2 ILE A 103 13.416 -5.190 -0.293 1.00 0.00 C ATOM 1510 CD1 ILE A 103 10.988 -3.504 0.736 1.00 0.00 C ATOM 0 H ILE A 103 12.170 -7.106 3.317 1.00 0.00 H new ATOM 0 HA ILE A 103 12.222 -7.542 0.418 1.00 0.00 H new ATOM 0 HB ILE A 103 13.005 -4.931 1.784 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.762 -5.408 -0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 103 10.514 -5.426 1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.384 -4.123 -0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 103 14.447 -5.493 -0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.017 -5.746 -1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 103 9.940 -3.243 0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.332 -3.101 1.688 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.584 -3.083 -0.073 1.00 0.00 H new ATOM 1522 N GLN A 104 14.576 -8.274 0.676 1.00 0.00 N ATOM 1523 CA GLN A 104 15.945 -8.755 0.817 1.00 0.00 C ATOM 1524 C GLN A 104 16.875 -8.047 -0.163 1.00 0.00 C ATOM 1525 O GLN A 104 16.428 -7.499 -1.170 1.00 0.00 O ATOM 1526 CB GLN A 104 16.002 -10.267 0.591 1.00 0.00 C ATOM 1527 CG GLN A 104 15.425 -11.077 1.741 1.00 0.00 C ATOM 1528 CD GLN A 104 16.308 -11.051 2.973 1.00 0.00 C ATOM 1529 OE1 GLN A 104 17.442 -10.573 2.929 1.00 0.00 O ATOM 1530 NE2 GLN A 104 15.791 -11.566 4.082 1.00 0.00 N ATOM 0 H GLN A 104 14.074 -8.658 -0.125 1.00 0.00 H new ATOM 0 HA GLN A 104 16.279 -8.533 1.831 1.00 0.00 H new ATOM 0 HB2 GLN A 104 15.459 -10.510 -0.322 1.00 0.00 H new ATOM 0 HB3 GLN A 104 17.039 -10.563 0.433 1.00 0.00 H new ATOM 0 HG2 GLN A 104 14.440 -10.687 1.996 1.00 0.00 H new ATOM 0 HG3 GLN A 104 15.286 -12.109 1.420 1.00 0.00 H new ATOM 0 HE21 GLN A 104 14.847 -11.952 4.073 1.00 0.00 H new ATOM 0 HE22 GLN A 104 16.338 -11.576 4.943 1.00 0.00 H new ATOM 1539 N GLU A 105 18.169 -8.063 0.140 1.00 0.00 N ATOM 1540 CA GLU A 105 19.161 -7.421 -0.715 1.00 0.00 C ATOM 1541 C GLU A 105 19.451 -8.273 -1.947 1.00 0.00 C ATOM 1542 O GLU A 105 19.458 -9.502 -1.877 1.00 0.00 O ATOM 1543 CB GLU A 105 20.454 -7.174 0.064 1.00 0.00 C ATOM 1544 CG GLU A 105 20.309 -6.146 1.174 1.00 0.00 C ATOM 1545 CD GLU A 105 21.627 -5.838 1.859 1.00 0.00 C ATOM 1546 OE1 GLU A 105 22.660 -5.781 1.161 1.00 0.00 O ATOM 1547 OE2 GLU A 105 21.623 -5.652 3.094 1.00 0.00 O ATOM 0 H GLU A 105 18.555 -8.513 0.970 1.00 0.00 H new ATOM 0 HA GLU A 105 18.755 -6.464 -1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 105 20.794 -8.116 0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 105 21.228 -6.842 -0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 105 19.895 -5.226 0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 105 19.597 -6.513 1.913 1.00 0.00 H new