USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 456 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 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.834 K(o=0.83,f=-0.21) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 25:sc= 0.251 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 20:sc= 0.272! USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -3.77! C(o=-3.8!,f=-5.1!) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot -120:sc= -1.27 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 180:sc= -0.52 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 54 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.055) USER MOD Single : A 60 ASN : amide:sc= -1.88 X(o=-1.9,f=-1.9!) USER MOD Single : A 63 GLN : amide:sc= -0.524 K(o=-0.52,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 10.903 5.053 -3.781 1.00 0.00 N ATOM 60 CA GLY A 7 10.222 4.061 -2.970 1.00 0.00 C ATOM 61 C GLY A 7 9.778 4.613 -1.630 1.00 0.00 C ATOM 62 O GLY A 7 10.602 4.860 -0.748 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.353 3.688 -3.512 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.885 3.211 -2.808 1.00 0.00 H new ATOM 66 N LEU A 8 8.474 4.808 -1.475 1.00 0.00 N ATOM 67 CA LEU A 8 7.921 5.336 -0.233 1.00 0.00 C ATOM 68 C LEU A 8 7.458 4.205 0.681 1.00 0.00 C ATOM 69 O LEU A 8 7.476 3.035 0.297 1.00 0.00 O ATOM 70 CB LEU A 8 6.752 6.277 -0.530 1.00 0.00 C ATOM 71 CG LEU A 8 7.114 7.746 -0.754 1.00 0.00 C ATOM 72 CD1 LEU A 8 8.065 8.232 0.328 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.728 7.940 -2.133 1.00 0.00 C ATOM 0 H LEU A 8 7.779 4.608 -2.194 1.00 0.00 H new ATOM 0 HA LEU A 8 8.707 5.893 0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.234 5.912 -1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.046 6.220 0.298 1.00 0.00 H new ATOM 0 HG LEU A 8 6.200 8.338 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.312 9.279 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.589 8.130 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.977 7.636 0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.979 8.991 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.632 7.336 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.013 7.632 -2.896 1.00 0.00 H new ATOM 85 N LEU A 9 7.042 4.563 1.891 1.00 0.00 N ATOM 86 CA LEU A 9 6.572 3.579 2.860 1.00 0.00 C ATOM 87 C LEU A 9 5.236 4.003 3.462 1.00 0.00 C ATOM 88 O LEU A 9 5.094 5.119 3.959 1.00 0.00 O ATOM 89 CB LEU A 9 7.608 3.391 3.970 1.00 0.00 C ATOM 90 CG LEU A 9 9.031 3.069 3.512 1.00 0.00 C ATOM 91 CD1 LEU A 9 10.030 3.384 4.615 1.00 0.00 C ATOM 92 CD2 LEU A 9 9.139 1.610 3.092 1.00 0.00 C ATOM 0 H LEU A 9 7.021 5.527 2.224 1.00 0.00 H new ATOM 0 HA LEU A 9 6.431 2.632 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.638 4.301 4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.268 2.589 4.625 1.00 0.00 H new ATOM 0 HG LEU A 9 9.265 3.692 2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.037 3.149 4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.971 4.443 4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.799 2.787 5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.158 1.399 2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.886 0.969 3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.450 1.416 2.270 1.00 0.00 H new ATOM 104 N ALA A 10 4.259 3.103 3.414 1.00 0.00 N ATOM 105 CA ALA A 10 2.936 3.382 3.959 1.00 0.00 C ATOM 106 C ALA A 10 2.449 2.232 4.835 1.00 0.00 C ATOM 107 O ALA A 10 2.955 1.114 4.745 1.00 0.00 O ATOM 108 CB ALA A 10 1.947 3.645 2.833 1.00 0.00 C ATOM 0 H ALA A 10 4.359 2.175 3.003 1.00 0.00 H new ATOM 0 HA ALA A 10 3.007 4.274 4.582 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.963 3.852 3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.280 4.503 2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.889 2.768 2.188 1.00 0.00 H new ATOM 114 N ARG A 11 1.465 2.516 5.682 1.00 0.00 N ATOM 115 CA ARG A 11 0.912 1.506 6.575 1.00 0.00 C ATOM 116 C ARG A 11 -0.430 0.998 6.057 1.00 0.00 C ATOM 117 O ARG A 11 -1.050 1.621 5.196 1.00 0.00 O ATOM 118 CB ARG A 11 0.743 2.078 7.984 1.00 0.00 C ATOM 119 CG ARG A 11 0.663 1.015 9.068 1.00 0.00 C ATOM 120 CD ARG A 11 0.784 1.624 10.456 1.00 0.00 C ATOM 121 NE ARG A 11 2.174 1.720 10.892 1.00 0.00 N ATOM 122 CZ ARG A 11 2.951 0.664 11.107 1.00 0.00 C ATOM 123 NH1 ARG A 11 2.476 -0.560 10.926 1.00 0.00 N ATOM 124 NH2 ARG A 11 4.206 0.833 11.503 1.00 0.00 N ATOM 0 H ARG A 11 1.035 3.437 5.768 1.00 0.00 H new ATOM 0 HA ARG A 11 1.609 0.669 6.611 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.580 2.743 8.200 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.162 2.685 8.014 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.283 0.480 8.985 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.457 0.283 8.920 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.334 2.617 10.457 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.222 1.019 11.168 1.00 0.00 H new ATOM 0 HE ARG A 11 2.570 2.648 11.040 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.512 -0.693 10.621 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.075 -1.369 11.092 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.574 1.774 11.642 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.802 0.022 11.668 1.00 0.00 H new ATOM 138 N ALA A 12 -0.872 -0.138 6.587 1.00 0.00 N ATOM 139 CA ALA A 12 -2.141 -0.729 6.180 1.00 0.00 C ATOM 140 C ALA A 12 -3.160 -0.676 7.312 1.00 0.00 C ATOM 141 O ALA A 12 -3.132 -1.503 8.225 1.00 0.00 O ATOM 142 CB ALA A 12 -1.932 -2.164 5.721 1.00 0.00 C ATOM 0 H ALA A 12 -0.370 -0.668 7.299 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.534 -0.147 5.346 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.888 -2.593 5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.245 -2.179 4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.513 -2.750 6.539 1.00 0.00 H new ATOM 148 N LEU A 13 -4.059 0.300 7.249 1.00 0.00 N ATOM 149 CA LEU A 13 -5.088 0.460 8.270 1.00 0.00 C ATOM 150 C LEU A 13 -6.042 -0.730 8.274 1.00 0.00 C ATOM 151 O LEU A 13 -6.484 -1.181 9.331 1.00 0.00 O ATOM 152 CB LEU A 13 -5.870 1.754 8.036 1.00 0.00 C ATOM 153 CG LEU A 13 -5.035 2.995 7.719 1.00 0.00 C ATOM 154 CD1 LEU A 13 -5.923 4.123 7.218 1.00 0.00 C ATOM 155 CD2 LEU A 13 -4.249 3.437 8.945 1.00 0.00 C ATOM 0 H LEU A 13 -4.096 0.993 6.501 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.596 0.510 9.241 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.567 1.590 7.214 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.467 1.960 8.924 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.327 2.740 6.930 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.311 4.998 6.998 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.440 3.804 6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.656 4.377 7.984 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.661 4.321 8.701 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.940 3.673 9.754 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.583 2.634 9.259 1.00 0.00 H new ATOM 167 N TYR A 14 -6.354 -1.235 7.086 1.00 0.00 N ATOM 168 CA TYR A 14 -7.255 -2.373 6.952 1.00 0.00 C ATOM 169 C TYR A 14 -6.661 -3.434 6.031 1.00 0.00 C ATOM 170 O TYR A 14 -5.834 -3.132 5.170 1.00 0.00 O ATOM 171 CB TYR A 14 -8.612 -1.916 6.413 1.00 0.00 C ATOM 172 CG TYR A 14 -9.112 -0.635 7.041 1.00 0.00 C ATOM 173 CD1 TYR A 14 -8.766 0.603 6.513 1.00 0.00 C ATOM 174 CD2 TYR A 14 -9.932 -0.662 8.162 1.00 0.00 C ATOM 175 CE1 TYR A 14 -9.220 1.776 7.084 1.00 0.00 C ATOM 176 CE2 TYR A 14 -10.393 0.506 8.739 1.00 0.00 C ATOM 177 CZ TYR A 14 -10.033 1.722 8.196 1.00 0.00 C ATOM 178 OH TYR A 14 -10.489 2.888 8.767 1.00 0.00 O ATOM 0 H TYR A 14 -5.996 -0.874 6.202 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.393 -2.812 7.940 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.537 -1.777 5.334 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.345 -2.704 6.583 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.131 0.649 5.641 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.214 -1.613 8.590 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.940 2.730 6.662 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.031 0.467 9.610 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.051 2.675 9.541 1.00 0.00 H new ATOM 188 N ASP A 15 -7.088 -4.678 6.219 1.00 0.00 N ATOM 189 CA ASP A 15 -6.600 -5.785 5.405 1.00 0.00 C ATOM 190 C ASP A 15 -7.286 -5.800 4.042 1.00 0.00 C ATOM 191 O ASP A 15 -8.506 -5.675 3.948 1.00 0.00 O ATOM 192 CB ASP A 15 -6.835 -7.115 6.122 1.00 0.00 C ATOM 193 CG ASP A 15 -8.170 -7.160 6.838 1.00 0.00 C ATOM 194 OD1 ASP A 15 -9.181 -7.499 6.187 1.00 0.00 O ATOM 195 OD2 ASP A 15 -8.204 -6.857 8.048 1.00 0.00 O ATOM 0 H ASP A 15 -7.771 -4.945 6.928 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.530 -5.648 5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.787 -7.928 5.398 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.034 -7.282 6.842 1.00 0.00 H new ATOM 200 N ASN A 16 -6.491 -5.954 2.987 1.00 0.00 N ATOM 201 CA ASN A 16 -7.021 -5.983 1.629 1.00 0.00 C ATOM 202 C ASN A 16 -7.162 -7.419 1.131 1.00 0.00 C ATOM 203 O ASN A 16 -6.204 -8.193 1.159 1.00 0.00 O ATOM 204 CB ASN A 16 -6.111 -5.192 0.687 1.00 0.00 C ATOM 205 CG ASN A 16 -6.721 -5.012 -0.690 1.00 0.00 C ATOM 206 OD1 ASN A 16 -7.689 -4.270 -0.860 1.00 0.00 O ATOM 207 ND2 ASN A 16 -6.156 -5.692 -1.681 1.00 0.00 N ATOM 0 H ASN A 16 -5.478 -6.060 3.047 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.009 -5.522 1.641 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -5.906 -4.214 1.121 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.155 -5.706 0.593 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.523 -5.611 -2.629 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.355 -6.295 -1.494 1.00 0.00 H new ATOM 214 N CYS A 17 -8.360 -7.766 0.677 1.00 0.00 N ATOM 215 CA CYS A 17 -8.627 -9.109 0.172 1.00 0.00 C ATOM 216 C CYS A 17 -8.790 -9.098 -1.344 1.00 0.00 C ATOM 217 O CYS A 17 -9.902 -9.093 -1.873 1.00 0.00 O ATOM 218 CB CYS A 17 -9.884 -9.682 0.829 1.00 0.00 C ATOM 219 SG CYS A 17 -10.058 -11.473 0.651 1.00 0.00 S ATOM 0 H CYS A 17 -9.162 -7.137 0.648 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.775 -9.741 0.422 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.873 -9.432 1.890 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.760 -9.198 0.397 1.00 0.00 H new ATOM 0 HG CYS A 17 -11.149 -11.864 1.240 1.00 0.00 H new ATOM 225 N PRO A 18 -7.657 -9.091 -2.061 1.00 0.00 N ATOM 226 CA PRO A 18 -7.648 -9.079 -3.527 1.00 0.00 C ATOM 227 C PRO A 18 -8.131 -10.398 -4.121 1.00 0.00 C ATOM 228 O PRO A 18 -8.172 -11.420 -3.435 1.00 0.00 O ATOM 229 CB PRO A 18 -6.174 -8.846 -3.871 1.00 0.00 C ATOM 230 CG PRO A 18 -5.424 -9.363 -2.692 1.00 0.00 C ATOM 231 CD PRO A 18 -6.297 -9.096 -1.497 1.00 0.00 C ATOM 0 HA PRO A 18 -8.320 -8.322 -3.932 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.892 -9.374 -4.782 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.969 -7.789 -4.038 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.220 -10.429 -2.796 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.461 -8.862 -2.592 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.181 -9.867 -0.735 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.054 -8.143 -1.027 1.00 0.00 H new ATOM 239 N ASP A 19 -8.496 -10.368 -5.398 1.00 0.00 N ATOM 240 CA ASP A 19 -8.975 -11.562 -6.084 1.00 0.00 C ATOM 241 C ASP A 19 -8.215 -11.782 -7.388 1.00 0.00 C ATOM 242 O ASP A 19 -8.705 -12.449 -8.299 1.00 0.00 O ATOM 243 CB ASP A 19 -10.474 -11.447 -6.367 1.00 0.00 C ATOM 244 CG ASP A 19 -11.194 -10.600 -5.335 1.00 0.00 C ATOM 245 OD1 ASP A 19 -11.290 -11.039 -4.170 1.00 0.00 O ATOM 246 OD2 ASP A 19 -11.660 -9.499 -5.693 1.00 0.00 O ATOM 0 H ASP A 19 -8.469 -9.530 -5.979 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.800 -12.419 -5.433 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.622 -11.014 -7.356 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.915 -12.444 -6.387 1.00 0.00 H new ATOM 251 N CYS A 20 -7.016 -11.215 -7.470 1.00 0.00 N ATOM 252 CA CYS A 20 -6.188 -11.347 -8.664 1.00 0.00 C ATOM 253 C CYS A 20 -4.706 -11.311 -8.304 1.00 0.00 C ATOM 254 O CYS A 20 -4.344 -11.155 -7.138 1.00 0.00 O ATOM 255 CB CYS A 20 -6.511 -10.233 -9.660 1.00 0.00 C ATOM 256 SG CYS A 20 -7.901 -10.602 -10.756 1.00 0.00 S ATOM 0 H CYS A 20 -6.596 -10.660 -6.725 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.408 -12.310 -9.124 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.730 -9.319 -9.108 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.627 -10.035 -10.266 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.685 -11.469 -10.186 1.00 0.00 H new ATOM 262 N SER A 21 -3.854 -11.458 -9.314 1.00 0.00 N ATOM 263 CA SER A 21 -2.411 -11.447 -9.104 1.00 0.00 C ATOM 264 C SER A 21 -1.862 -10.025 -9.174 1.00 0.00 C ATOM 265 O SER A 21 -0.870 -9.698 -8.522 1.00 0.00 O ATOM 266 CB SER A 21 -1.716 -12.326 -10.145 1.00 0.00 C ATOM 267 OG SER A 21 -1.984 -13.699 -9.914 1.00 0.00 O ATOM 0 H SER A 21 -4.138 -11.586 -10.285 1.00 0.00 H new ATOM 0 HA SER A 21 -2.211 -11.846 -8.110 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.054 -12.049 -11.144 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.640 -12.152 -10.113 1.00 0.00 H new ATOM 0 HG SER A 21 -1.530 -14.240 -10.594 1.00 0.00 H new ATOM 273 N ASP A 22 -2.515 -9.185 -9.970 1.00 0.00 N ATOM 274 CA ASP A 22 -2.094 -7.797 -10.126 1.00 0.00 C ATOM 275 C ASP A 22 -2.227 -7.038 -8.809 1.00 0.00 C ATOM 276 O ASP A 22 -1.343 -6.269 -8.434 1.00 0.00 O ATOM 277 CB ASP A 22 -2.923 -7.110 -11.212 1.00 0.00 C ATOM 278 CG ASP A 22 -2.803 -7.802 -12.556 1.00 0.00 C ATOM 279 OD1 ASP A 22 -3.199 -8.982 -12.652 1.00 0.00 O ATOM 280 OD2 ASP A 22 -2.314 -7.163 -13.511 1.00 0.00 O ATOM 0 H ASP A 22 -3.337 -9.441 -10.517 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.045 -7.792 -10.423 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.970 -7.091 -10.909 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.601 -6.073 -11.310 1.00 0.00 H new ATOM 285 N GLU A 23 -3.339 -7.259 -8.115 1.00 0.00 N ATOM 286 CA GLU A 23 -3.588 -6.593 -6.841 1.00 0.00 C ATOM 287 C GLU A 23 -2.627 -7.095 -5.767 1.00 0.00 C ATOM 288 O GLU A 23 -1.816 -7.989 -6.013 1.00 0.00 O ATOM 289 CB GLU A 23 -5.034 -6.821 -6.395 1.00 0.00 C ATOM 290 CG GLU A 23 -6.045 -5.980 -7.155 1.00 0.00 C ATOM 291 CD GLU A 23 -6.051 -6.276 -8.642 1.00 0.00 C ATOM 292 OE1 GLU A 23 -5.103 -5.850 -9.335 1.00 0.00 O ATOM 293 OE2 GLU A 23 -7.003 -6.933 -9.113 1.00 0.00 O ATOM 0 H GLU A 23 -4.081 -7.893 -8.412 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.423 -5.525 -6.980 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.282 -7.875 -6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.116 -6.599 -5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.040 -6.160 -6.749 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.824 -4.924 -7.000 1.00 0.00 H new ATOM 300 N LEU A 24 -2.724 -6.515 -4.577 1.00 0.00 N ATOM 301 CA LEU A 24 -1.864 -6.902 -3.464 1.00 0.00 C ATOM 302 C LEU A 24 -2.694 -7.350 -2.265 1.00 0.00 C ATOM 303 O LEU A 24 -3.717 -6.746 -1.945 1.00 0.00 O ATOM 304 CB LEU A 24 -0.957 -5.737 -3.065 1.00 0.00 C ATOM 305 CG LEU A 24 0.373 -6.114 -2.413 1.00 0.00 C ATOM 306 CD1 LEU A 24 1.356 -4.957 -2.495 1.00 0.00 C ATOM 307 CD2 LEU A 24 0.158 -6.532 -0.965 1.00 0.00 C ATOM 0 H LEU A 24 -3.390 -5.774 -4.357 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.247 -7.740 -3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.747 -5.145 -3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.506 -5.094 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 24 0.794 -6.960 -2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.297 -5.245 -2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.534 -4.705 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.943 -4.091 -1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.116 -6.797 -0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.286 -5.706 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.509 -7.393 -0.930 1.00 0.00 H new ATOM 319 N ALA A 25 -2.244 -8.412 -1.604 1.00 0.00 N ATOM 320 CA ALA A 25 -2.942 -8.938 -0.438 1.00 0.00 C ATOM 321 C ALA A 25 -2.134 -8.709 0.835 1.00 0.00 C ATOM 322 O ALA A 25 -1.160 -9.414 1.099 1.00 0.00 O ATOM 323 CB ALA A 25 -3.234 -10.420 -0.621 1.00 0.00 C ATOM 0 H ALA A 25 -1.399 -8.925 -1.857 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.886 -8.403 -0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.756 -10.799 0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.859 -10.562 -1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.297 -10.962 -0.749 1.00 0.00 H new ATOM 329 N PHE A 26 -2.544 -7.720 1.622 1.00 0.00 N ATOM 330 CA PHE A 26 -1.857 -7.397 2.866 1.00 0.00 C ATOM 331 C PHE A 26 -2.844 -7.315 4.027 1.00 0.00 C ATOM 332 O PHE A 26 -4.047 -7.156 3.823 1.00 0.00 O ATOM 333 CB PHE A 26 -1.102 -6.074 2.729 1.00 0.00 C ATOM 334 CG PHE A 26 -1.974 -4.928 2.302 1.00 0.00 C ATOM 335 CD1 PHE A 26 -2.212 -4.684 0.959 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.556 -4.094 3.243 1.00 0.00 C ATOM 337 CE1 PHE A 26 -3.014 -3.630 0.563 1.00 0.00 C ATOM 338 CE2 PHE A 26 -3.359 -3.039 2.854 1.00 0.00 C ATOM 339 CZ PHE A 26 -3.588 -2.807 1.512 1.00 0.00 C ATOM 0 H PHE A 26 -3.350 -7.128 1.420 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.143 -8.194 3.074 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.637 -5.830 3.684 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.297 -6.197 2.004 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.766 -5.325 0.213 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.380 -4.271 4.294 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.191 -3.450 -0.487 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.807 -2.397 3.598 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.215 -1.983 1.205 1.00 0.00 H new ATOM 349 N SER A 27 -2.325 -7.424 5.246 1.00 0.00 N ATOM 350 CA SER A 27 -3.160 -7.367 6.440 1.00 0.00 C ATOM 351 C SER A 27 -2.940 -6.059 7.194 1.00 0.00 C ATOM 352 O SER A 27 -2.048 -5.279 6.860 1.00 0.00 O ATOM 353 CB SER A 27 -2.859 -8.554 7.357 1.00 0.00 C ATOM 354 OG SER A 27 -1.595 -8.409 7.980 1.00 0.00 O ATOM 0 H SER A 27 -1.330 -7.552 5.433 1.00 0.00 H new ATOM 0 HA SER A 27 -4.203 -7.415 6.126 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.636 -8.636 8.118 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.879 -9.478 6.779 1.00 0.00 H new ATOM 0 HG SER A 27 -1.326 -7.467 7.959 1.00 0.00 H new ATOM 360 N ARG A 28 -3.761 -5.825 8.213 1.00 0.00 N ATOM 361 CA ARG A 28 -3.658 -4.612 9.015 1.00 0.00 C ATOM 362 C ARG A 28 -2.346 -4.584 9.794 1.00 0.00 C ATOM 363 O ARG A 28 -1.824 -5.627 10.186 1.00 0.00 O ATOM 364 CB ARG A 28 -4.840 -4.512 9.981 1.00 0.00 C ATOM 365 CG ARG A 28 -4.712 -3.376 10.983 1.00 0.00 C ATOM 366 CD ARG A 28 -4.020 -3.833 12.258 1.00 0.00 C ATOM 367 NE ARG A 28 -3.597 -2.707 13.085 1.00 0.00 N ATOM 368 CZ ARG A 28 -2.693 -2.805 14.054 1.00 0.00 C ATOM 369 NH1 ARG A 28 -2.120 -3.971 14.314 1.00 0.00 N ATOM 370 NH2 ARG A 28 -2.360 -1.734 14.763 1.00 0.00 N ATOM 0 H ARG A 28 -4.505 -6.460 8.503 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.677 -3.757 8.339 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.757 -4.378 9.407 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.937 -5.453 10.522 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.149 -2.557 10.536 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.702 -2.989 11.224 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.696 -4.469 12.830 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.152 -4.441 12.002 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.018 -1.795 12.909 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.372 -4.796 13.770 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.426 -4.044 15.058 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.798 -0.835 14.564 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.666 -1.810 15.507 1.00 0.00 H new ATOM 384 N GLY A 29 -1.819 -3.384 10.013 1.00 0.00 N ATOM 385 CA GLY A 29 -0.572 -3.243 10.743 1.00 0.00 C ATOM 386 C GLY A 29 0.619 -3.759 9.961 1.00 0.00 C ATOM 387 O GLY A 29 1.588 -4.246 10.543 1.00 0.00 O ATOM 0 H GLY A 29 -2.233 -2.506 9.698 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.415 -2.193 10.988 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.644 -3.783 11.687 1.00 0.00 H new ATOM 391 N ASP A 30 0.547 -3.655 8.638 1.00 0.00 N ATOM 392 CA ASP A 30 1.628 -4.115 7.775 1.00 0.00 C ATOM 393 C ASP A 30 2.246 -2.950 7.009 1.00 0.00 C ATOM 394 O ASP A 30 1.534 -2.089 6.491 1.00 0.00 O ATOM 395 CB ASP A 30 1.112 -5.170 6.795 1.00 0.00 C ATOM 396 CG ASP A 30 0.892 -6.517 7.457 1.00 0.00 C ATOM 397 OD1 ASP A 30 0.075 -6.588 8.398 1.00 0.00 O ATOM 398 OD2 ASP A 30 1.537 -7.499 7.033 1.00 0.00 O ATOM 0 H ASP A 30 -0.249 -3.256 8.140 1.00 0.00 H new ATOM 0 HA ASP A 30 2.398 -4.560 8.405 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.175 -4.827 6.356 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.825 -5.282 5.978 1.00 0.00 H new ATOM 403 N ILE A 31 3.573 -2.929 6.942 1.00 0.00 N ATOM 404 CA ILE A 31 4.285 -1.870 6.239 1.00 0.00 C ATOM 405 C ILE A 31 4.488 -2.225 4.770 1.00 0.00 C ATOM 406 O ILE A 31 5.169 -3.197 4.443 1.00 0.00 O ATOM 407 CB ILE A 31 5.657 -1.591 6.882 1.00 0.00 C ATOM 408 CG1 ILE A 31 5.481 -1.121 8.327 1.00 0.00 C ATOM 409 CG2 ILE A 31 6.421 -0.556 6.071 1.00 0.00 C ATOM 410 CD1 ILE A 31 4.543 0.058 8.469 1.00 0.00 C ATOM 0 H ILE A 31 4.176 -3.634 7.366 1.00 0.00 H new ATOM 0 HA ILE A 31 3.669 -0.974 6.312 1.00 0.00 H new ATOM 0 HB ILE A 31 6.234 -2.516 6.889 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.104 -1.949 8.927 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.455 -0.851 8.734 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.388 -0.370 6.538 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.573 -0.928 5.058 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.850 0.372 6.035 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.466 0.337 9.520 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.930 0.901 7.897 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.557 -0.214 8.093 1.00 0.00 H new ATOM 422 N LEU A 32 3.894 -1.429 3.887 1.00 0.00 N ATOM 423 CA LEU A 32 4.010 -1.657 2.451 1.00 0.00 C ATOM 424 C LEU A 32 4.950 -0.639 1.813 1.00 0.00 C ATOM 425 O LEU A 32 4.886 0.554 2.111 1.00 0.00 O ATOM 426 CB LEU A 32 2.633 -1.582 1.790 1.00 0.00 C ATOM 427 CG LEU A 32 1.796 -2.861 1.834 1.00 0.00 C ATOM 428 CD1 LEU A 32 2.571 -4.027 1.241 1.00 0.00 C ATOM 429 CD2 LEU A 32 1.372 -3.172 3.262 1.00 0.00 C ATOM 0 H LEU A 32 3.327 -0.620 4.141 1.00 0.00 H new ATOM 0 HA LEU A 32 4.425 -2.653 2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.066 -0.784 2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.768 -1.296 0.747 1.00 0.00 H new ATOM 0 HG LEU A 32 0.899 -2.706 1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.959 -4.928 1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.824 -3.806 0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.486 -4.184 1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.777 -4.085 3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.257 -3.307 3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.777 -2.346 3.653 1.00 0.00 H new ATOM 441 N THR A 33 5.821 -1.118 0.930 1.00 0.00 N ATOM 442 CA THR A 33 6.773 -0.251 0.248 1.00 0.00 C ATOM 443 C THR A 33 6.220 0.229 -1.089 1.00 0.00 C ATOM 444 O THR A 33 6.279 -0.488 -2.088 1.00 0.00 O ATOM 445 CB THR A 33 8.115 -0.969 0.008 1.00 0.00 C ATOM 446 OG1 THR A 33 8.696 -1.352 1.259 1.00 0.00 O ATOM 447 CG2 THR A 33 9.080 -0.072 -0.752 1.00 0.00 C ATOM 0 H THR A 33 5.886 -2.102 0.671 1.00 0.00 H new ATOM 0 HA THR A 33 6.940 0.608 0.898 1.00 0.00 H new ATOM 0 HB THR A 33 7.924 -1.859 -0.591 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.548 -1.809 1.098 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.020 -0.600 -0.910 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.647 0.194 -1.716 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.265 0.834 -0.175 1.00 0.00 H new ATOM 455 N ILE A 34 5.684 1.444 -1.100 1.00 0.00 N ATOM 456 CA ILE A 34 5.122 2.020 -2.316 1.00 0.00 C ATOM 457 C ILE A 34 6.191 2.185 -3.391 1.00 0.00 C ATOM 458 O ILE A 34 6.848 3.224 -3.474 1.00 0.00 O ATOM 459 CB ILE A 34 4.470 3.388 -2.042 1.00 0.00 C ATOM 460 CG1 ILE A 34 3.380 3.253 -0.976 1.00 0.00 C ATOM 461 CG2 ILE A 34 3.894 3.966 -3.325 1.00 0.00 C ATOM 462 CD1 ILE A 34 2.827 4.580 -0.506 1.00 0.00 C ATOM 0 H ILE A 34 5.627 2.049 -0.281 1.00 0.00 H new ATOM 0 HA ILE A 34 4.358 1.327 -2.670 1.00 0.00 H new ATOM 0 HB ILE A 34 5.234 4.071 -1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.565 2.650 -1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.785 2.714 -0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.437 4.933 -3.115 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.692 4.093 -4.057 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.140 3.287 -3.724 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.059 4.408 0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.631 5.177 -0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.392 5.113 -1.351 1.00 0.00 H new ATOM 474 N LEU A 35 6.360 1.156 -4.213 1.00 0.00 N ATOM 475 CA LEU A 35 7.348 1.187 -5.285 1.00 0.00 C ATOM 476 C LEU A 35 7.190 2.444 -6.135 1.00 0.00 C ATOM 477 O LEU A 35 8.155 3.171 -6.367 1.00 0.00 O ATOM 478 CB LEU A 35 7.214 -0.057 -6.165 1.00 0.00 C ATOM 479 CG LEU A 35 7.275 -1.402 -5.440 1.00 0.00 C ATOM 480 CD1 LEU A 35 6.953 -2.540 -6.396 1.00 0.00 C ATOM 481 CD2 LEU A 35 8.644 -1.606 -4.808 1.00 0.00 C ATOM 0 H LEU A 35 5.825 0.289 -4.158 1.00 0.00 H new ATOM 0 HA LEU A 35 8.339 1.199 -4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.266 0.002 -6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.005 -0.035 -6.914 1.00 0.00 H new ATOM 0 HG LEU A 35 6.527 -1.399 -4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.002 -3.489 -5.862 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.950 -2.402 -6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.676 -2.546 -7.212 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.669 -2.568 -4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.409 -1.588 -5.584 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.836 -0.808 -4.090 1.00 0.00 H new ATOM 493 N GLU A 36 5.968 2.692 -6.593 1.00 0.00 N ATOM 494 CA GLU A 36 5.684 3.863 -7.416 1.00 0.00 C ATOM 495 C GLU A 36 4.248 4.336 -7.212 1.00 0.00 C ATOM 496 O GLU A 36 3.339 3.529 -7.020 1.00 0.00 O ATOM 497 CB GLU A 36 5.923 3.545 -8.893 1.00 0.00 C ATOM 498 CG GLU A 36 5.022 2.447 -9.433 1.00 0.00 C ATOM 499 CD GLU A 36 5.632 1.721 -10.617 1.00 0.00 C ATOM 500 OE1 GLU A 36 6.769 1.222 -10.484 1.00 0.00 O ATOM 501 OE2 GLU A 36 4.974 1.653 -11.675 1.00 0.00 O ATOM 0 H GLU A 36 5.159 2.099 -6.409 1.00 0.00 H new ATOM 0 HA GLU A 36 6.358 4.663 -7.110 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.770 4.450 -9.480 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.963 3.249 -9.029 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.814 1.729 -8.639 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.066 2.879 -9.730 1.00 0.00 H new ATOM 508 N GLN A 37 4.053 5.650 -7.254 1.00 0.00 N ATOM 509 CA GLN A 37 2.728 6.232 -7.072 1.00 0.00 C ATOM 510 C GLN A 37 2.023 6.409 -8.413 1.00 0.00 C ATOM 511 O GLN A 37 0.812 6.213 -8.520 1.00 0.00 O ATOM 512 CB GLN A 37 2.833 7.579 -6.355 1.00 0.00 C ATOM 513 CG GLN A 37 2.926 7.457 -4.843 1.00 0.00 C ATOM 514 CD GLN A 37 4.357 7.348 -4.353 1.00 0.00 C ATOM 515 OE1 GLN A 37 5.258 6.987 -5.110 1.00 0.00 O ATOM 516 NE2 GLN A 37 4.573 7.660 -3.081 1.00 0.00 N ATOM 0 H GLN A 37 4.795 6.332 -7.412 1.00 0.00 H new ATOM 0 HA GLN A 37 2.139 5.549 -6.460 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.711 8.110 -6.723 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.964 8.186 -6.610 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.453 8.325 -4.383 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.367 6.580 -4.518 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.796 7.955 -2.489 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.516 7.605 -2.695 1.00 0.00 H new ATOM 525 N HIS A 38 2.789 6.782 -9.434 1.00 0.00 N ATOM 526 CA HIS A 38 2.237 6.986 -10.768 1.00 0.00 C ATOM 527 C HIS A 38 1.811 5.659 -11.389 1.00 0.00 C ATOM 528 O HIS A 38 2.638 4.911 -11.909 1.00 0.00 O ATOM 529 CB HIS A 38 3.264 7.676 -11.667 1.00 0.00 C ATOM 530 CG HIS A 38 3.205 9.171 -11.606 1.00 0.00 C ATOM 531 ND1 HIS A 38 2.177 9.907 -12.157 1.00 0.00 N ATOM 532 CD2 HIS A 38 4.053 10.069 -11.052 1.00 0.00 C ATOM 533 CE1 HIS A 38 2.397 11.193 -11.946 1.00 0.00 C ATOM 534 NE2 HIS A 38 3.529 11.318 -11.277 1.00 0.00 N ATOM 0 H HIS A 38 3.793 6.949 -9.363 1.00 0.00 H new ATOM 0 HA HIS A 38 1.357 7.623 -10.677 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.263 7.348 -11.381 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.106 7.356 -12.697 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.971 9.845 -10.530 1.00 0.00 H new ATOM 0 HE1 HIS A 38 1.760 12.004 -12.266 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.946 12.199 -10.976 1.00 0.00 H new ATOM 543 N VAL A 39 0.514 5.372 -11.329 1.00 0.00 N ATOM 544 CA VAL A 39 -0.022 4.136 -11.884 1.00 0.00 C ATOM 545 C VAL A 39 -1.264 4.405 -12.727 1.00 0.00 C ATOM 546 O VAL A 39 -2.388 4.449 -12.225 1.00 0.00 O ATOM 547 CB VAL A 39 -0.377 3.129 -10.774 1.00 0.00 C ATOM 548 CG1 VAL A 39 -0.527 1.729 -11.350 1.00 0.00 C ATOM 549 CG2 VAL A 39 0.676 3.153 -9.677 1.00 0.00 C ATOM 0 H VAL A 39 -0.185 5.980 -10.901 1.00 0.00 H new ATOM 0 HA VAL A 39 0.757 3.709 -12.516 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.332 3.419 -10.336 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.778 1.032 -10.551 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.321 1.726 -12.097 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.410 1.425 -11.816 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.409 2.436 -8.901 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.646 2.888 -10.098 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.728 4.152 -9.245 1.00 0.00 H new ATOM 559 N PRO A 40 -1.060 4.590 -14.040 1.00 0.00 N ATOM 560 CA PRO A 40 -2.151 4.858 -14.981 1.00 0.00 C ATOM 561 C PRO A 40 -3.046 3.641 -15.192 1.00 0.00 C ATOM 562 O PRO A 40 -4.262 3.770 -15.327 1.00 0.00 O ATOM 563 CB PRO A 40 -1.421 5.216 -16.278 1.00 0.00 C ATOM 564 CG PRO A 40 -0.099 4.539 -16.168 1.00 0.00 C ATOM 565 CD PRO A 40 0.253 4.552 -14.706 1.00 0.00 C ATOM 0 HA PRO A 40 -2.817 5.642 -14.620 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.972 4.868 -17.152 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.306 6.295 -16.383 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.150 3.519 -16.548 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.656 5.060 -16.756 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.822 3.667 -14.422 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.861 5.419 -14.447 1.00 0.00 H new ATOM 573 N GLU A 41 -2.435 2.460 -15.218 1.00 0.00 N ATOM 574 CA GLU A 41 -3.178 1.221 -15.413 1.00 0.00 C ATOM 575 C GLU A 41 -4.263 1.064 -14.351 1.00 0.00 C ATOM 576 O GLU A 41 -5.397 0.696 -14.656 1.00 0.00 O ATOM 577 CB GLU A 41 -2.231 0.020 -15.371 1.00 0.00 C ATOM 578 CG GLU A 41 -1.507 -0.138 -14.045 1.00 0.00 C ATOM 579 CD GLU A 41 -0.276 -1.017 -14.153 1.00 0.00 C ATOM 580 OE1 GLU A 41 0.392 -0.975 -15.208 1.00 0.00 O ATOM 581 OE2 GLU A 41 0.019 -1.748 -13.185 1.00 0.00 O ATOM 0 H GLU A 41 -1.429 2.336 -15.107 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.655 1.264 -16.392 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.799 -0.887 -15.575 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.494 0.121 -16.168 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.215 0.845 -13.675 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.190 -0.565 -13.311 1.00 0.00 H new ATOM 588 N SER A 42 -3.905 1.346 -13.102 1.00 0.00 N ATOM 589 CA SER A 42 -4.845 1.232 -11.993 1.00 0.00 C ATOM 590 C SER A 42 -4.904 2.531 -11.196 1.00 0.00 C ATOM 591 O SER A 42 -4.749 2.529 -9.975 1.00 0.00 O ATOM 592 CB SER A 42 -4.447 0.074 -11.076 1.00 0.00 C ATOM 593 OG SER A 42 -4.708 -1.176 -11.689 1.00 0.00 O ATOM 0 H SER A 42 -2.971 1.655 -12.833 1.00 0.00 H new ATOM 0 HA SER A 42 -5.834 1.034 -12.406 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.387 0.148 -10.831 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.997 0.144 -10.137 1.00 0.00 H new ATOM 0 HG SER A 42 -5.340 -1.684 -11.139 1.00 0.00 H new ATOM 599 N GLU A 43 -5.130 3.638 -11.896 1.00 0.00 N ATOM 600 CA GLU A 43 -5.209 4.945 -11.253 1.00 0.00 C ATOM 601 C GLU A 43 -5.844 4.833 -9.870 1.00 0.00 C ATOM 602 O GLU A 43 -6.818 4.107 -9.679 1.00 0.00 O ATOM 603 CB GLU A 43 -6.015 5.916 -12.119 1.00 0.00 C ATOM 604 CG GLU A 43 -7.427 5.439 -12.415 1.00 0.00 C ATOM 605 CD GLU A 43 -7.457 4.263 -13.372 1.00 0.00 C ATOM 606 OE1 GLU A 43 -6.837 4.359 -14.451 1.00 0.00 O ATOM 607 OE2 GLU A 43 -8.101 3.246 -13.040 1.00 0.00 O ATOM 0 H GLU A 43 -5.262 3.656 -12.907 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.195 5.327 -11.139 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.065 6.882 -11.617 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.489 6.073 -13.060 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.914 5.156 -11.482 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.003 6.262 -12.838 1.00 0.00 H new ATOM 614 N GLY A 44 -5.282 5.559 -8.907 1.00 0.00 N ATOM 615 CA GLY A 44 -5.804 5.527 -7.554 1.00 0.00 C ATOM 616 C GLY A 44 -5.140 4.465 -6.700 1.00 0.00 C ATOM 617 O GLY A 44 -5.055 4.604 -5.480 1.00 0.00 O ATOM 0 H GLY A 44 -4.475 6.168 -9.041 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.662 6.503 -7.090 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.878 5.343 -7.587 1.00 0.00 H new ATOM 621 N TRP A 45 -4.669 3.402 -7.342 1.00 0.00 N ATOM 622 CA TRP A 45 -4.010 2.311 -6.633 1.00 0.00 C ATOM 623 C TRP A 45 -2.514 2.574 -6.500 1.00 0.00 C ATOM 624 O TRP A 45 -1.980 3.496 -7.116 1.00 0.00 O ATOM 625 CB TRP A 45 -4.246 0.987 -7.361 1.00 0.00 C ATOM 626 CG TRP A 45 -5.672 0.528 -7.314 1.00 0.00 C ATOM 627 CD1 TRP A 45 -6.738 1.101 -7.946 1.00 0.00 C ATOM 628 CD2 TRP A 45 -6.187 -0.598 -6.595 1.00 0.00 C ATOM 629 NE1 TRP A 45 -7.885 0.399 -7.663 1.00 0.00 N ATOM 630 CE2 TRP A 45 -7.574 -0.648 -6.837 1.00 0.00 C ATOM 631 CE3 TRP A 45 -5.611 -1.570 -5.772 1.00 0.00 C ATOM 632 CZ2 TRP A 45 -8.390 -1.631 -6.284 1.00 0.00 C ATOM 633 CZ3 TRP A 45 -6.423 -2.544 -5.224 1.00 0.00 C ATOM 634 CH2 TRP A 45 -7.800 -2.570 -5.483 1.00 0.00 C ATOM 0 H TRP A 45 -4.731 3.272 -8.352 1.00 0.00 H new ATOM 0 HA TRP A 45 -4.439 2.248 -5.633 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -3.941 1.094 -8.402 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.610 0.220 -6.919 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -6.687 1.977 -8.576 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -8.817 0.622 -8.012 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -4.550 -1.560 -5.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -9.452 -1.652 -6.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.989 -3.299 -4.585 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -8.407 -3.346 -5.042 1.00 0.00 H new ATOM 645 N TRP A 46 -1.845 1.758 -5.693 1.00 0.00 N ATOM 646 CA TRP A 46 -0.409 1.903 -5.480 1.00 0.00 C ATOM 647 C TRP A 46 0.293 0.553 -5.569 1.00 0.00 C ATOM 648 O TRP A 46 -0.182 -0.443 -5.023 1.00 0.00 O ATOM 649 CB TRP A 46 -0.137 2.546 -4.119 1.00 0.00 C ATOM 650 CG TRP A 46 -0.406 4.020 -4.093 1.00 0.00 C ATOM 651 CD1 TRP A 46 -0.449 4.864 -5.166 1.00 0.00 C ATOM 652 CD2 TRP A 46 -0.666 4.823 -2.938 1.00 0.00 C ATOM 653 NE1 TRP A 46 -0.721 6.144 -4.747 1.00 0.00 N ATOM 654 CE2 TRP A 46 -0.859 6.145 -3.384 1.00 0.00 C ATOM 655 CE3 TRP A 46 -0.758 4.555 -1.569 1.00 0.00 C ATOM 656 CZ2 TRP A 46 -1.136 7.193 -2.510 1.00 0.00 C ATOM 657 CZ3 TRP A 46 -1.032 5.596 -0.703 1.00 0.00 C ATOM 658 CH2 TRP A 46 -1.220 6.902 -1.176 1.00 0.00 C ATOM 0 H TRP A 46 -2.273 0.990 -5.176 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.013 2.549 -6.264 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.755 2.058 -3.365 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.902 2.369 -3.843 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -0.292 4.569 -6.193 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -0.806 6.961 -5.352 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.617 3.552 -1.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -1.279 8.200 -2.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.103 5.400 0.357 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -1.435 7.694 -0.474 1.00 0.00 H new ATOM 669 N LYS A 47 1.428 0.526 -6.260 1.00 0.00 N ATOM 670 CA LYS A 47 2.198 -0.702 -6.419 1.00 0.00 C ATOM 671 C LYS A 47 3.186 -0.878 -5.270 1.00 0.00 C ATOM 672 O LYS A 47 4.263 -0.280 -5.269 1.00 0.00 O ATOM 673 CB LYS A 47 2.948 -0.689 -7.753 1.00 0.00 C ATOM 674 CG LYS A 47 3.492 -2.048 -8.158 1.00 0.00 C ATOM 675 CD LYS A 47 3.588 -2.183 -9.668 1.00 0.00 C ATOM 676 CE LYS A 47 4.718 -1.337 -10.233 1.00 0.00 C ATOM 677 NZ LYS A 47 5.123 -1.787 -11.593 1.00 0.00 N ATOM 0 H LYS A 47 1.835 1.341 -6.719 1.00 0.00 H new ATOM 0 HA LYS A 47 1.502 -1.541 -6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.278 -0.328 -8.533 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.774 0.019 -7.689 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.478 -2.193 -7.716 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.846 -2.832 -7.762 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.748 -3.229 -9.931 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.644 -1.881 -10.122 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.405 -0.294 -10.274 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.577 -1.385 -9.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.895 -1.185 -11.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.446 -2.775 -11.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.310 -1.717 -12.238 1.00 0.00 H new ATOM 691 N CYS A 48 2.814 -1.701 -4.296 1.00 0.00 N ATOM 692 CA CYS A 48 3.668 -1.955 -3.142 1.00 0.00 C ATOM 693 C CYS A 48 4.294 -3.344 -3.223 1.00 0.00 C ATOM 694 O CYS A 48 3.898 -4.167 -4.050 1.00 0.00 O ATOM 695 CB CYS A 48 2.865 -1.820 -1.847 1.00 0.00 C ATOM 696 SG CYS A 48 2.032 -0.226 -1.658 1.00 0.00 S ATOM 0 H CYS A 48 1.927 -2.204 -4.283 1.00 0.00 H new ATOM 0 HA CYS A 48 4.468 -1.215 -3.144 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.119 -2.614 -1.810 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.534 -1.971 -1.000 1.00 0.00 H new ATOM 0 HG CYS A 48 1.378 -0.209 -0.535 1.00 0.00 H new ATOM 702 N LEU A 49 5.274 -3.597 -2.363 1.00 0.00 N ATOM 703 CA LEU A 49 5.956 -4.886 -2.339 1.00 0.00 C ATOM 704 C LEU A 49 5.875 -5.519 -0.954 1.00 0.00 C ATOM 705 O LEU A 49 6.161 -4.871 0.054 1.00 0.00 O ATOM 706 CB LEU A 49 7.420 -4.718 -2.751 1.00 0.00 C ATOM 707 CG LEU A 49 8.232 -6.007 -2.883 1.00 0.00 C ATOM 708 CD1 LEU A 49 8.579 -6.563 -1.511 1.00 0.00 C ATOM 709 CD2 LEU A 49 7.467 -7.037 -3.701 1.00 0.00 C ATOM 0 H LEU A 49 5.614 -2.927 -1.673 1.00 0.00 H new ATOM 0 HA LEU A 49 5.458 -5.546 -3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.450 -4.194 -3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.911 -4.076 -2.020 1.00 0.00 H new ATOM 0 HG LEU A 49 9.162 -5.777 -3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.157 -7.480 -1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.168 -5.830 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.662 -6.778 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.060 -7.948 -3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.521 -7.263 -3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.271 -6.639 -4.697 1.00 0.00 H new ATOM 721 N LEU A 50 5.486 -6.788 -0.911 1.00 0.00 N ATOM 722 CA LEU A 50 5.370 -7.511 0.351 1.00 0.00 C ATOM 723 C LEU A 50 5.455 -9.017 0.126 1.00 0.00 C ATOM 724 O LEU A 50 4.850 -9.552 -0.803 1.00 0.00 O ATOM 725 CB LEU A 50 4.051 -7.161 1.042 1.00 0.00 C ATOM 726 CG LEU A 50 3.837 -7.768 2.429 1.00 0.00 C ATOM 727 CD1 LEU A 50 4.412 -6.859 3.504 1.00 0.00 C ATOM 728 CD2 LEU A 50 2.358 -8.023 2.678 1.00 0.00 C ATOM 0 H LEU A 50 5.245 -7.338 -1.736 1.00 0.00 H new ATOM 0 HA LEU A 50 6.200 -7.211 0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.986 -6.076 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.231 -7.479 0.398 1.00 0.00 H new ATOM 0 HG LEU A 50 4.361 -8.723 2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.250 -7.307 4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.481 -6.729 3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.917 -5.889 3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.225 -8.455 3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.811 -7.082 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.977 -8.715 1.927 1.00 0.00 H new ATOM 740 N HIS A 51 6.210 -9.696 0.984 1.00 0.00 N ATOM 741 CA HIS A 51 6.373 -11.142 0.881 1.00 0.00 C ATOM 742 C HIS A 51 6.507 -11.571 -0.577 1.00 0.00 C ATOM 743 O HIS A 51 6.076 -12.659 -0.957 1.00 0.00 O ATOM 744 CB HIS A 51 5.186 -11.857 1.528 1.00 0.00 C ATOM 745 CG HIS A 51 5.270 -11.925 3.022 1.00 0.00 C ATOM 746 ND1 HIS A 51 6.281 -12.583 3.690 1.00 0.00 N ATOM 747 CD2 HIS A 51 4.462 -11.411 3.978 1.00 0.00 C ATOM 748 CE1 HIS A 51 6.090 -12.473 4.992 1.00 0.00 C ATOM 749 NE2 HIS A 51 4.993 -11.765 5.194 1.00 0.00 N ATOM 0 H HIS A 51 6.718 -9.268 1.758 1.00 0.00 H new ATOM 0 HA HIS A 51 7.286 -11.419 1.408 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.266 -11.344 1.247 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.121 -12.869 1.129 1.00 0.00 H new ATOM 0 HD2 HIS A 51 3.566 -10.830 3.815 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.723 -12.891 5.761 1.00 0.00 H new ATOM 0 HE2 HIS A 51 4.604 -11.521 6.105 1.00 0.00 H new ATOM 758 N GLY A 52 7.107 -10.707 -1.391 1.00 0.00 N ATOM 759 CA GLY A 52 7.286 -11.014 -2.798 1.00 0.00 C ATOM 760 C GLY A 52 5.974 -11.042 -3.556 1.00 0.00 C ATOM 761 O GLY A 52 5.700 -11.983 -4.302 1.00 0.00 O ATOM 0 H GLY A 52 7.472 -9.800 -1.101 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.946 -10.272 -3.248 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.779 -11.981 -2.896 1.00 0.00 H new ATOM 765 N ARG A 53 5.159 -10.009 -3.366 1.00 0.00 N ATOM 766 CA ARG A 53 3.868 -9.921 -4.036 1.00 0.00 C ATOM 767 C ARG A 53 3.952 -9.019 -5.264 1.00 0.00 C ATOM 768 O ARG A 53 3.636 -9.439 -6.376 1.00 0.00 O ATOM 769 CB ARG A 53 2.804 -9.391 -3.072 1.00 0.00 C ATOM 770 CG ARG A 53 2.224 -10.457 -2.159 1.00 0.00 C ATOM 771 CD ARG A 53 0.791 -10.134 -1.764 1.00 0.00 C ATOM 772 NE ARG A 53 0.058 -11.323 -1.338 1.00 0.00 N ATOM 773 CZ ARG A 53 -0.458 -12.209 -2.182 1.00 0.00 C ATOM 774 NH1 ARG A 53 -0.323 -12.041 -3.490 1.00 0.00 N ATOM 775 NH2 ARG A 53 -1.112 -13.267 -1.718 1.00 0.00 N ATOM 0 H ARG A 53 5.371 -9.221 -2.753 1.00 0.00 H new ATOM 0 HA ARG A 53 3.587 -10.923 -4.361 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.240 -8.600 -2.462 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.996 -8.940 -3.648 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.255 -11.424 -2.661 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.839 -10.544 -1.263 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.794 -9.402 -0.957 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.277 -9.675 -2.609 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.064 -11.482 -0.338 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.178 -11.229 -3.851 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.721 -12.723 -4.136 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.219 -13.400 -0.712 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.508 -13.947 -2.367 1.00 0.00 H new ATOM 789 N GLN A 54 4.381 -7.779 -5.052 1.00 0.00 N ATOM 790 CA GLN A 54 4.506 -6.818 -6.141 1.00 0.00 C ATOM 791 C GLN A 54 3.153 -6.558 -6.795 1.00 0.00 C ATOM 792 O GLN A 54 3.014 -6.650 -8.014 1.00 0.00 O ATOM 793 CB GLN A 54 5.502 -7.325 -7.185 1.00 0.00 C ATOM 794 CG GLN A 54 6.938 -6.908 -6.910 1.00 0.00 C ATOM 795 CD GLN A 54 7.784 -6.866 -8.167 1.00 0.00 C ATOM 796 OE1 GLN A 54 8.844 -7.489 -8.236 1.00 0.00 O ATOM 797 NE2 GLN A 54 7.320 -6.129 -9.169 1.00 0.00 N ATOM 0 H GLN A 54 4.648 -7.417 -4.137 1.00 0.00 H new ATOM 0 HA GLN A 54 4.874 -5.880 -5.724 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.450 -8.413 -7.226 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.207 -6.955 -8.167 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.943 -5.925 -6.440 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.384 -7.603 -6.199 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.437 -5.629 -9.068 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.847 -6.062 -10.040 1.00 0.00 H new ATOM 806 N GLY A 55 2.158 -6.232 -5.976 1.00 0.00 N ATOM 807 CA GLY A 55 0.828 -5.964 -6.494 1.00 0.00 C ATOM 808 C GLY A 55 0.344 -4.569 -6.152 1.00 0.00 C ATOM 809 O GLY A 55 1.007 -3.835 -5.419 1.00 0.00 O ATOM 0 H GLY A 55 2.248 -6.149 -4.963 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.831 -6.089 -7.577 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.129 -6.697 -6.090 1.00 0.00 H new ATOM 813 N LEU A 56 -0.816 -4.201 -6.686 1.00 0.00 N ATOM 814 CA LEU A 56 -1.389 -2.883 -6.435 1.00 0.00 C ATOM 815 C LEU A 56 -2.127 -2.855 -5.101 1.00 0.00 C ATOM 816 O LEU A 56 -2.487 -3.899 -4.557 1.00 0.00 O ATOM 817 CB LEU A 56 -2.342 -2.496 -7.567 1.00 0.00 C ATOM 818 CG LEU A 56 -1.761 -2.546 -8.981 1.00 0.00 C ATOM 819 CD1 LEU A 56 -2.856 -2.334 -10.015 1.00 0.00 C ATOM 820 CD2 LEU A 56 -0.662 -1.507 -9.143 1.00 0.00 C ATOM 0 H LEU A 56 -1.378 -4.796 -7.295 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.573 -2.161 -6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.208 -3.157 -7.528 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.704 -1.485 -7.380 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.326 -3.533 -9.140 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.424 -2.373 -11.015 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.608 -3.116 -9.914 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.321 -1.361 -9.858 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.260 -1.557 -10.155 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.072 -0.513 -8.964 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.135 -1.705 -8.426 1.00 0.00 H new ATOM 832 N ALA A 57 -2.353 -1.653 -4.580 1.00 0.00 N ATOM 833 CA ALA A 57 -3.052 -1.489 -3.312 1.00 0.00 C ATOM 834 C ALA A 57 -3.857 -0.194 -3.292 1.00 0.00 C ATOM 835 O ALA A 57 -3.438 0.833 -3.827 1.00 0.00 O ATOM 836 CB ALA A 57 -2.063 -1.516 -2.156 1.00 0.00 C ATOM 0 H ALA A 57 -2.062 -0.779 -5.017 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.748 -2.320 -3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.599 -1.392 -1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.536 -2.470 -2.150 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.344 -0.705 -2.273 1.00 0.00 H new ATOM 842 N PRO A 58 -5.040 -0.241 -2.663 1.00 0.00 N ATOM 843 CA PRO A 58 -5.928 0.921 -2.559 1.00 0.00 C ATOM 844 C PRO A 58 -5.368 1.997 -1.635 1.00 0.00 C ATOM 845 O PRO A 58 -5.293 1.809 -0.421 1.00 0.00 O ATOM 846 CB PRO A 58 -7.215 0.333 -1.976 1.00 0.00 C ATOM 847 CG PRO A 58 -6.775 -0.884 -1.238 1.00 0.00 C ATOM 848 CD PRO A 58 -5.602 -1.431 -2.003 1.00 0.00 C ATOM 0 HA PRO A 58 -6.066 1.416 -3.520 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.709 1.042 -1.311 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.928 0.083 -2.762 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.493 -0.639 -0.214 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.579 -1.617 -1.180 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.876 -1.904 -1.341 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.911 -2.184 -2.728 1.00 0.00 H new ATOM 856 N ALA A 59 -4.978 3.126 -2.218 1.00 0.00 N ATOM 857 CA ALA A 59 -4.427 4.234 -1.447 1.00 0.00 C ATOM 858 C ALA A 59 -5.424 4.724 -0.402 1.00 0.00 C ATOM 859 O ALA A 59 -5.047 5.368 0.576 1.00 0.00 O ATOM 860 CB ALA A 59 -4.026 5.373 -2.371 1.00 0.00 C ATOM 0 H ALA A 59 -5.033 3.297 -3.222 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.540 3.875 -0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.616 6.193 -1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.273 5.022 -3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.901 5.722 -2.919 1.00 0.00 H new ATOM 866 N ASN A 60 -6.699 4.415 -0.616 1.00 0.00 N ATOM 867 CA ASN A 60 -7.751 4.826 0.306 1.00 0.00 C ATOM 868 C ASN A 60 -7.662 4.045 1.614 1.00 0.00 C ATOM 869 O ASN A 60 -8.365 4.348 2.579 1.00 0.00 O ATOM 870 CB ASN A 60 -9.127 4.620 -0.331 1.00 0.00 C ATOM 871 CG ASN A 60 -9.675 3.227 -0.086 1.00 0.00 C ATOM 872 OD1 ASN A 60 -9.569 2.347 -0.940 1.00 0.00 O ATOM 873 ND2 ASN A 60 -10.265 3.022 1.086 1.00 0.00 N ATOM 0 H ASN A 60 -7.028 3.881 -1.420 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.615 5.885 0.525 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.823 5.357 0.069 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.058 4.797 -1.404 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.653 2.105 1.308 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.330 3.781 1.764 1.00 0.00 H new ATOM 880 N ARG A 61 -6.794 3.039 1.639 1.00 0.00 N ATOM 881 CA ARG A 61 -6.613 2.215 2.828 1.00 0.00 C ATOM 882 C ARG A 61 -5.171 2.281 3.322 1.00 0.00 C ATOM 883 O ARG A 61 -4.803 1.612 4.288 1.00 0.00 O ATOM 884 CB ARG A 61 -6.996 0.764 2.531 1.00 0.00 C ATOM 885 CG ARG A 61 -8.441 0.593 2.091 1.00 0.00 C ATOM 886 CD ARG A 61 -8.966 -0.794 2.427 1.00 0.00 C ATOM 887 NE ARG A 61 -10.418 -0.808 2.578 1.00 0.00 N ATOM 888 CZ ARG A 61 -11.262 -0.903 1.557 1.00 0.00 C ATOM 889 NH1 ARG A 61 -10.801 -0.993 0.317 1.00 0.00 N ATOM 890 NH2 ARG A 61 -12.571 -0.910 1.775 1.00 0.00 N ATOM 0 H ARG A 61 -6.205 2.775 0.849 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.264 2.603 3.611 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.340 0.376 1.752 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.823 0.162 3.423 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.062 1.346 2.577 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.518 0.762 1.017 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.677 -1.491 1.641 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.502 -1.143 3.349 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.805 -0.741 3.519 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.796 -0.989 0.145 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.452 -1.066 -0.465 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.930 -0.842 2.727 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.218 -0.983 0.990 1.00 0.00 H new ATOM 904 N LEU A 62 -4.358 3.090 2.651 1.00 0.00 N ATOM 905 CA LEU A 62 -2.956 3.244 3.021 1.00 0.00 C ATOM 906 C LEU A 62 -2.731 4.550 3.776 1.00 0.00 C ATOM 907 O LEU A 62 -3.453 5.526 3.574 1.00 0.00 O ATOM 908 CB LEU A 62 -2.072 3.204 1.773 1.00 0.00 C ATOM 909 CG LEU A 62 -1.722 1.813 1.243 1.00 0.00 C ATOM 910 CD1 LEU A 62 -1.148 0.947 2.353 1.00 0.00 C ATOM 911 CD2 LEU A 62 -2.947 1.153 0.628 1.00 0.00 C ATOM 0 H LEU A 62 -4.646 3.649 1.848 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.686 2.416 3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.573 3.758 0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.144 3.731 1.993 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.964 1.921 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.905 -0.039 1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.245 1.412 2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.882 0.846 3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.679 0.164 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.727 1.058 1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.314 1.764 -0.197 1.00 0.00 H new ATOM 923 N GLN A 63 -1.725 4.561 4.644 1.00 0.00 N ATOM 924 CA GLN A 63 -1.405 5.748 5.427 1.00 0.00 C ATOM 925 C GLN A 63 0.012 6.229 5.133 1.00 0.00 C ATOM 926 O GLN A 63 0.984 5.692 5.665 1.00 0.00 O ATOM 927 CB GLN A 63 -1.556 5.456 6.921 1.00 0.00 C ATOM 928 CG GLN A 63 -1.040 6.572 7.815 1.00 0.00 C ATOM 929 CD GLN A 63 -1.300 6.309 9.285 1.00 0.00 C ATOM 930 OE1 GLN A 63 -1.720 5.217 9.668 1.00 0.00 O ATOM 931 NE2 GLN A 63 -1.051 7.312 10.119 1.00 0.00 N ATOM 0 H GLN A 63 -1.118 3.761 4.823 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.103 6.536 5.145 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.609 5.281 7.144 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.022 4.536 7.158 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.031 6.694 7.656 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.514 7.511 7.528 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.704 8.201 9.759 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.207 7.194 11.120 1.00 0.00 H new ATOM 940 N ILE A 64 0.122 7.243 4.281 1.00 0.00 N ATOM 941 CA ILE A 64 1.421 7.797 3.917 1.00 0.00 C ATOM 942 C ILE A 64 2.095 8.453 5.117 1.00 0.00 C ATOM 943 O ILE A 64 1.672 9.515 5.576 1.00 0.00 O ATOM 944 CB ILE A 64 1.293 8.832 2.783 1.00 0.00 C ATOM 945 CG1 ILE A 64 0.626 8.201 1.560 1.00 0.00 C ATOM 946 CG2 ILE A 64 2.661 9.389 2.419 1.00 0.00 C ATOM 947 CD1 ILE A 64 1.526 7.250 0.803 1.00 0.00 C ATOM 0 H ILE A 64 -0.672 7.697 3.830 1.00 0.00 H new ATOM 0 HA ILE A 64 2.034 6.965 3.571 1.00 0.00 H new ATOM 0 HB ILE A 64 0.668 9.655 3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.268 7.665 1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.299 8.993 0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.555 10.119 1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.102 9.871 3.292 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.308 8.577 2.088 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.987 6.841 -0.051 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.408 7.785 0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.833 6.437 1.462 1.00 0.00 H new ATOM 959 N LEU A 65 3.147 7.816 5.619 1.00 0.00 N ATOM 960 CA LEU A 65 3.883 8.339 6.765 1.00 0.00 C ATOM 961 C LEU A 65 5.081 9.167 6.311 1.00 0.00 C ATOM 962 O LEU A 65 6.195 8.655 6.200 1.00 0.00 O ATOM 963 CB LEU A 65 4.351 7.192 7.662 1.00 0.00 C ATOM 964 CG LEU A 65 3.274 6.198 8.098 1.00 0.00 C ATOM 965 CD1 LEU A 65 3.899 5.017 8.823 1.00 0.00 C ATOM 966 CD2 LEU A 65 2.242 6.883 8.982 1.00 0.00 C ATOM 0 H LEU A 65 3.510 6.937 5.251 1.00 0.00 H new ATOM 0 HA LEU A 65 3.213 8.985 7.332 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.133 6.643 7.137 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.806 7.619 8.556 1.00 0.00 H new ATOM 0 HG LEU A 65 2.770 5.825 7.207 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.117 4.321 9.126 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.599 4.511 8.158 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.430 5.372 9.706 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.483 6.160 9.283 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.732 7.285 9.869 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.770 7.695 8.429 1.00 0.00 H new