USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 600 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 ASN : amide:sc= -7.68! C(o=-13!,f=-16!) USER MOD Set 1.2: A 19 GLN : amide:sc= -5.54! C(o=-13!,f=-25!) USER MOD Single : A 4 LYS NZ :NH3+ -156:sc= -3.13! (180deg=-6.57!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 0:sc= 0.0258! USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 125:sc= 0.011 USER MOD Single : A 32 SER OG : rot 113:sc= 0.823 USER MOD Single : A 37 GLN :FLIP amide:sc= -13.1! C(o=-15!,f=-13!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 138:sc= 0.245 USER MOD Single : A 43 LYS NZ :NH3+ -107:sc= -2.19 (180deg=-4.66!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 22:sc= 0.154 USER MOD Single : A 59 SER OG : rot 180:sc= 0.114 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc=-0.00462 F(o=-0.59,f=-0.0046) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.0074) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 3 -10.354 15.088 11.624 1.00 0.00 N ATOM 2 CA GLU A 3 -10.981 13.874 12.212 1.00 0.00 C ATOM 3 C GLU A 3 -10.545 12.637 11.423 1.00 0.00 C ATOM 4 O GLU A 3 -9.736 12.720 10.520 1.00 0.00 O ATOM 5 CB GLU A 3 -12.503 14.016 12.173 1.00 0.00 C ATOM 6 CG GLU A 3 -12.928 15.087 13.180 1.00 0.00 C ATOM 7 CD GLU A 3 -14.450 15.215 13.182 1.00 0.00 C ATOM 8 OE1 GLU A 3 -14.995 15.602 12.163 1.00 0.00 O ATOM 9 OE2 GLU A 3 -15.046 14.920 14.204 1.00 0.00 O ATOM 0 HA GLU A 3 -10.661 13.762 13.248 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.830 14.291 11.170 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.976 13.064 12.413 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.574 14.824 14.177 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.473 16.043 12.922 1.00 0.00 H new ATOM 16 N LYS A 4 -11.057 11.483 11.768 1.00 0.00 N ATOM 17 CA LYS A 4 -10.649 10.231 11.051 1.00 0.00 C ATOM 18 C LYS A 4 -11.455 10.053 9.752 1.00 0.00 C ATOM 19 O LYS A 4 -12.624 10.369 9.667 1.00 0.00 O ATOM 20 CB LYS A 4 -10.838 8.991 11.974 1.00 0.00 C ATOM 21 CG LYS A 4 -11.771 9.307 13.156 1.00 0.00 C ATOM 22 CD LYS A 4 -13.197 9.625 12.666 1.00 0.00 C ATOM 23 CE LYS A 4 -13.837 8.382 12.025 1.00 0.00 C ATOM 24 NZ LYS A 4 -13.516 8.341 10.572 1.00 0.00 N ATOM 0 H LYS A 4 -11.740 11.351 12.514 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.594 10.319 10.790 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.249 8.164 11.395 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.869 8.665 12.351 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.798 8.458 13.839 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.378 10.155 13.717 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.808 9.965 13.502 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.166 10.439 11.942 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.469 7.480 12.513 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.917 8.404 12.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.237 7.781 10.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.505 9.309 10.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.582 7.904 10.435 1.00 0.00 H new ATOM 38 N ARG A 5 -10.809 9.527 8.741 1.00 0.00 N ATOM 39 CA ARG A 5 -11.478 9.281 7.428 1.00 0.00 C ATOM 40 C ARG A 5 -11.914 7.813 7.375 1.00 0.00 C ATOM 41 O ARG A 5 -11.358 6.974 8.056 1.00 0.00 O ATOM 42 CB ARG A 5 -10.485 9.555 6.290 1.00 0.00 C ATOM 43 CG ARG A 5 -11.233 9.593 4.951 1.00 0.00 C ATOM 44 CD ARG A 5 -10.280 9.996 3.811 1.00 0.00 C ATOM 45 NE ARG A 5 -10.326 11.480 3.628 1.00 0.00 N ATOM 46 CZ ARG A 5 -9.453 12.073 2.856 1.00 0.00 C ATOM 47 NH1 ARG A 5 -8.552 11.366 2.230 1.00 0.00 N ATOM 48 NH2 ARG A 5 -9.484 13.371 2.705 1.00 0.00 N ATOM 0 H ARG A 5 -9.827 9.253 8.772 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.342 9.937 7.318 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.975 10.503 6.460 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.719 8.780 6.268 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.666 8.615 4.742 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.059 10.301 5.009 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -9.263 9.678 4.042 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -10.568 9.495 2.887 1.00 0.00 H new ATOM 0 HE ARG A 5 -11.039 12.030 4.106 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.530 10.353 2.343 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -7.870 11.827 1.627 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -10.191 13.924 3.190 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -8.802 13.831 2.102 1.00 0.00 H new ATOM 62 N ARG A 6 -12.901 7.488 6.574 1.00 0.00 N ATOM 63 CA ARG A 6 -13.362 6.066 6.481 1.00 0.00 C ATOM 64 C ARG A 6 -13.632 5.702 5.012 1.00 0.00 C ATOM 65 O ARG A 6 -13.994 6.537 4.207 1.00 0.00 O ATOM 66 CB ARG A 6 -14.647 5.906 7.295 1.00 0.00 C ATOM 67 CG ARG A 6 -14.985 4.417 7.431 1.00 0.00 C ATOM 68 CD ARG A 6 -16.108 4.228 8.454 1.00 0.00 C ATOM 69 NE ARG A 6 -17.405 4.643 7.852 1.00 0.00 N ATOM 70 CZ ARG A 6 -18.529 4.295 8.420 1.00 0.00 C ATOM 71 NH1 ARG A 6 -18.517 3.611 9.533 1.00 0.00 N ATOM 72 NH2 ARG A 6 -19.666 4.635 7.876 1.00 0.00 N ATOM 0 H ARG A 6 -13.407 8.146 5.981 1.00 0.00 H new ATOM 0 HA ARG A 6 -12.591 5.404 6.874 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -14.523 6.353 8.281 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -15.467 6.433 6.807 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -15.290 4.015 6.465 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -14.100 3.862 7.743 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.158 3.185 8.767 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -15.904 4.819 9.347 1.00 0.00 H new ATOM 0 HE ARG A 6 -17.416 5.199 6.997 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -17.629 3.348 9.960 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -19.396 3.340 9.975 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -19.676 5.172 7.009 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -20.544 4.364 8.318 1.00 0.00 H new ATOM 86 N ASP A 7 -13.452 4.453 4.662 1.00 0.00 N ATOM 87 CA ASP A 7 -13.691 4.017 3.253 1.00 0.00 C ATOM 88 C ASP A 7 -15.186 3.732 3.042 1.00 0.00 C ATOM 89 O ASP A 7 -15.946 3.640 3.986 1.00 0.00 O ATOM 90 CB ASP A 7 -12.878 2.750 2.979 1.00 0.00 C ATOM 91 CG ASP A 7 -13.306 1.647 3.950 1.00 0.00 C ATOM 92 OD1 ASP A 7 -14.166 1.912 4.775 1.00 0.00 O ATOM 93 OD2 ASP A 7 -12.763 0.557 3.855 1.00 0.00 O ATOM 0 H ASP A 7 -13.148 3.713 5.295 1.00 0.00 H new ATOM 0 HA ASP A 7 -13.383 4.806 2.568 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -13.031 2.423 1.951 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.814 2.957 3.093 1.00 0.00 H new ATOM 98 N ASN A 8 -15.614 3.595 1.809 1.00 0.00 N ATOM 99 CA ASN A 8 -17.059 3.319 1.536 1.00 0.00 C ATOM 100 C ASN A 8 -17.418 1.907 2.007 1.00 0.00 C ATOM 101 O ASN A 8 -18.535 1.453 1.847 1.00 0.00 O ATOM 102 CB ASN A 8 -17.343 3.456 0.032 1.00 0.00 C ATOM 103 CG ASN A 8 -16.592 2.370 -0.745 1.00 0.00 C ATOM 104 OD1 ASN A 8 -16.579 1.220 -0.354 1.00 0.00 O ATOM 105 ND2 ASN A 8 -15.959 2.688 -1.840 1.00 0.00 N ATOM 0 H ASN A 8 -15.024 3.663 0.980 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.668 4.041 2.080 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -18.414 3.372 -0.153 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -17.035 4.442 -0.316 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -15.456 1.972 -2.364 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.967 3.652 -2.172 1.00 0.00 H new ATOM 112 N ARG A 9 -16.474 1.205 2.576 1.00 0.00 N ATOM 113 CA ARG A 9 -16.736 -0.185 3.057 1.00 0.00 C ATOM 114 C ARG A 9 -16.969 -0.156 4.572 1.00 0.00 C ATOM 115 O ARG A 9 -17.957 -0.655 5.070 1.00 0.00 O ATOM 116 CB ARG A 9 -15.503 -1.044 2.749 1.00 0.00 C ATOM 117 CG ARG A 9 -15.551 -1.547 1.302 1.00 0.00 C ATOM 118 CD ARG A 9 -14.239 -2.268 0.969 1.00 0.00 C ATOM 119 NE ARG A 9 -14.263 -2.713 -0.454 1.00 0.00 N ATOM 120 CZ ARG A 9 -13.158 -3.094 -1.044 1.00 0.00 C ATOM 121 NH1 ARG A 9 -12.013 -2.991 -0.424 1.00 0.00 N ATOM 122 NH2 ARG A 9 -13.194 -3.561 -2.264 1.00 0.00 N ATOM 0 H ARG A 9 -15.522 1.538 2.730 1.00 0.00 H new ATOM 0 HA ARG A 9 -17.615 -0.599 2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.596 -0.460 2.908 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.461 -1.891 3.434 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.395 -2.224 1.169 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.702 -0.711 0.620 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.393 -1.602 1.139 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.106 -3.127 1.627 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.143 -2.721 -0.969 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.978 -2.613 0.523 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.154 -3.289 -0.886 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -14.084 -3.629 -2.758 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.332 -3.857 -2.722 1.00 0.00 H new ATOM 136 N GLY A 10 -16.063 0.431 5.307 1.00 0.00 N ATOM 137 CA GLY A 10 -16.227 0.501 6.791 1.00 0.00 C ATOM 138 C GLY A 10 -14.859 0.411 7.485 1.00 0.00 C ATOM 139 O GLY A 10 -14.767 0.505 8.693 1.00 0.00 O ATOM 0 H GLY A 10 -15.215 0.866 4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.721 1.433 7.065 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -16.869 -0.312 7.131 1.00 0.00 H new ATOM 143 N ARG A 11 -13.789 0.225 6.749 1.00 0.00 N ATOM 144 CA ARG A 11 -12.445 0.128 7.408 1.00 0.00 C ATOM 145 C ARG A 11 -11.817 1.518 7.533 1.00 0.00 C ATOM 146 O ARG A 11 -11.734 2.263 6.577 1.00 0.00 O ATOM 147 CB ARG A 11 -11.516 -0.762 6.582 1.00 0.00 C ATOM 148 CG ARG A 11 -12.197 -2.109 6.327 1.00 0.00 C ATOM 149 CD ARG A 11 -11.178 -3.141 5.789 1.00 0.00 C ATOM 150 NE ARG A 11 -11.704 -3.780 4.542 1.00 0.00 N ATOM 151 CZ ARG A 11 -12.917 -4.266 4.479 1.00 0.00 C ATOM 152 NH1 ARG A 11 -13.709 -4.210 5.514 1.00 0.00 N ATOM 153 NH2 ARG A 11 -13.338 -4.814 3.373 1.00 0.00 N ATOM 0 H ARG A 11 -13.785 0.137 5.733 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.580 -0.304 8.400 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.277 -0.278 5.635 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.574 -0.912 7.110 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.643 -2.478 7.251 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.008 -1.983 5.610 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.227 -2.651 5.582 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.987 -3.903 6.545 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.102 -3.838 3.721 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.384 -3.784 6.382 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.653 -4.592 5.455 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.722 -4.863 2.561 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.283 -5.194 3.320 1.00 0.00 H new ATOM 167 N ILE A 12 -11.353 1.864 8.704 1.00 0.00 N ATOM 168 CA ILE A 12 -10.712 3.193 8.881 1.00 0.00 C ATOM 169 C ILE A 12 -9.343 3.168 8.199 1.00 0.00 C ATOM 170 O ILE A 12 -8.423 2.511 8.647 1.00 0.00 O ATOM 171 CB ILE A 12 -10.521 3.489 10.373 1.00 0.00 C ATOM 172 CG1 ILE A 12 -11.877 3.437 11.109 1.00 0.00 C ATOM 173 CG2 ILE A 12 -9.877 4.870 10.537 1.00 0.00 C ATOM 174 CD1 ILE A 12 -12.649 4.759 10.960 1.00 0.00 C ATOM 0 H ILE A 12 -11.391 1.283 9.542 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.344 3.965 8.442 1.00 0.00 H new ATOM 0 HB ILE A 12 -9.868 2.733 10.809 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.476 2.617 10.713 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.711 3.228 12.166 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.740 5.084 11.597 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.909 4.882 10.036 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.524 5.628 10.095 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.599 4.688 11.490 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -12.059 5.574 11.380 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.837 4.954 9.904 1.00 0.00 H new ATOM 186 N LEU A 13 -9.206 3.880 7.114 1.00 0.00 N ATOM 187 CA LEU A 13 -7.903 3.916 6.379 1.00 0.00 C ATOM 188 C LEU A 13 -7.082 5.127 6.850 1.00 0.00 C ATOM 189 O LEU A 13 -7.621 6.122 7.291 1.00 0.00 O ATOM 190 CB LEU A 13 -8.176 4.010 4.866 1.00 0.00 C ATOM 191 CG LEU A 13 -9.496 4.748 4.603 1.00 0.00 C ATOM 192 CD1 LEU A 13 -9.460 6.150 5.234 1.00 0.00 C ATOM 193 CD2 LEU A 13 -9.698 4.875 3.091 1.00 0.00 C ATOM 0 H LEU A 13 -9.947 4.445 6.699 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.337 3.007 6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.356 4.533 4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.220 3.010 4.435 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.318 4.186 5.047 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.403 6.661 5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.311 6.061 6.310 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.640 6.723 4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.633 5.398 2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.869 5.436 2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.735 3.881 2.644 1.00 0.00 H new ATOM 205 N LYS A 14 -5.777 5.046 6.771 1.00 0.00 N ATOM 206 CA LYS A 14 -4.926 6.187 7.228 1.00 0.00 C ATOM 207 C LYS A 14 -4.682 7.176 6.083 1.00 0.00 C ATOM 208 O LYS A 14 -5.236 7.068 5.007 1.00 0.00 O ATOM 209 CB LYS A 14 -3.571 5.668 7.714 1.00 0.00 C ATOM 210 CG LYS A 14 -3.761 4.762 8.935 1.00 0.00 C ATOM 211 CD LYS A 14 -4.331 5.570 10.126 1.00 0.00 C ATOM 212 CE LYS A 14 -3.765 5.034 11.445 1.00 0.00 C ATOM 213 NZ LYS A 14 -4.529 5.612 12.591 1.00 0.00 N ATOM 0 H LYS A 14 -5.265 4.241 6.411 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.451 6.691 8.039 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.077 5.115 6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.923 6.506 7.971 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.437 3.944 8.686 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.807 4.314 9.215 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.078 6.624 10.014 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.419 5.502 10.134 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.829 3.946 11.464 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.710 5.293 11.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.143 5.247 13.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.446 6.649 12.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.531 5.344 12.511 1.00 0.00 H new ATOM 227 N THR A 15 -3.841 8.138 6.332 1.00 0.00 N ATOM 228 CA THR A 15 -3.506 9.167 5.302 1.00 0.00 C ATOM 229 C THR A 15 -2.961 8.497 4.031 1.00 0.00 C ATOM 230 O THR A 15 -2.575 7.345 4.041 1.00 0.00 O ATOM 231 CB THR A 15 -2.433 10.104 5.870 1.00 0.00 C ATOM 232 OG1 THR A 15 -1.212 9.389 6.007 1.00 0.00 O ATOM 233 CG2 THR A 15 -2.867 10.630 7.243 1.00 0.00 C ATOM 0 H THR A 15 -3.360 8.260 7.223 1.00 0.00 H new ATOM 0 HA THR A 15 -4.408 9.725 5.049 1.00 0.00 H new ATOM 0 HB THR A 15 -2.298 10.946 5.191 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.523 9.985 6.368 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.098 11.294 7.638 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.804 11.178 7.143 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.008 9.792 7.926 1.00 0.00 H new ATOM 241 N GLY A 16 -2.896 9.228 2.947 1.00 0.00 N ATOM 242 CA GLY A 16 -2.338 8.663 1.681 1.00 0.00 C ATOM 243 C GLY A 16 -3.304 7.667 1.036 1.00 0.00 C ATOM 244 O GLY A 16 -3.500 7.681 -0.161 1.00 0.00 O ATOM 0 H GLY A 16 -3.207 10.197 2.884 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.128 9.472 0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.389 8.168 1.890 1.00 0.00 H new ATOM 248 N GLU A 17 -3.894 6.794 1.803 1.00 0.00 N ATOM 249 CA GLU A 17 -4.825 5.792 1.206 1.00 0.00 C ATOM 250 C GLU A 17 -6.061 6.481 0.614 1.00 0.00 C ATOM 251 O GLU A 17 -6.481 7.533 1.053 1.00 0.00 O ATOM 252 CB GLU A 17 -5.286 4.815 2.293 1.00 0.00 C ATOM 253 CG GLU A 17 -4.134 3.885 2.729 1.00 0.00 C ATOM 254 CD GLU A 17 -3.338 4.525 3.865 1.00 0.00 C ATOM 255 OE1 GLU A 17 -3.961 5.062 4.761 1.00 0.00 O ATOM 256 OE2 GLU A 17 -2.121 4.458 3.823 1.00 0.00 O ATOM 0 H GLU A 17 -3.774 6.729 2.814 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.296 5.263 0.413 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.654 5.372 3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.118 4.218 1.920 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.535 2.925 3.053 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.477 3.687 1.882 1.00 0.00 H new ATOM 263 N SER A 18 -6.653 5.870 -0.380 1.00 0.00 N ATOM 264 CA SER A 18 -7.873 6.445 -1.013 1.00 0.00 C ATOM 265 C SER A 18 -8.620 5.315 -1.726 1.00 0.00 C ATOM 266 O SER A 18 -8.017 4.456 -2.340 1.00 0.00 O ATOM 267 CB SER A 18 -7.478 7.516 -2.029 1.00 0.00 C ATOM 268 OG SER A 18 -8.629 7.919 -2.757 1.00 0.00 O ATOM 0 H SER A 18 -6.338 4.988 -0.783 1.00 0.00 H new ATOM 0 HA SER A 18 -8.508 6.901 -0.253 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.038 8.373 -1.519 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.721 7.127 -2.710 1.00 0.00 H new ATOM 0 HG SER A 18 -8.380 8.607 -3.409 1.00 0.00 H new ATOM 274 N GLN A 19 -9.926 5.299 -1.644 1.00 0.00 N ATOM 275 CA GLN A 19 -10.714 4.212 -2.312 1.00 0.00 C ATOM 276 C GLN A 19 -11.284 4.722 -3.640 1.00 0.00 C ATOM 277 O GLN A 19 -11.896 5.769 -3.713 1.00 0.00 O ATOM 278 CB GLN A 19 -11.857 3.789 -1.390 1.00 0.00 C ATOM 279 CG GLN A 19 -12.539 2.539 -1.953 1.00 0.00 C ATOM 280 CD GLN A 19 -13.447 1.945 -0.878 1.00 0.00 C ATOM 281 OE1 GLN A 19 -14.089 2.670 -0.149 1.00 0.00 O ATOM 282 NE2 GLN A 19 -13.520 0.651 -0.740 1.00 0.00 N ATOM 0 H GLN A 19 -10.484 5.991 -1.144 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.065 3.359 -2.511 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.474 3.587 -0.390 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.580 4.599 -1.297 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.120 2.793 -2.839 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.791 1.808 -2.261 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.980 0.041 -1.354 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.118 0.248 -0.018 1.00 0.00 H new ATOM 291 N ARG A 20 -11.072 3.983 -4.694 1.00 0.00 N ATOM 292 CA ARG A 20 -11.578 4.402 -6.037 1.00 0.00 C ATOM 293 C ARG A 20 -12.994 3.869 -6.271 1.00 0.00 C ATOM 294 O ARG A 20 -13.468 2.999 -5.569 1.00 0.00 O ATOM 295 CB ARG A 20 -10.644 3.853 -7.116 1.00 0.00 C ATOM 296 CG ARG A 20 -9.318 4.619 -7.094 1.00 0.00 C ATOM 297 CD ARG A 20 -8.510 4.256 -8.338 1.00 0.00 C ATOM 298 NE ARG A 20 -9.250 4.697 -9.555 1.00 0.00 N ATOM 299 CZ ARG A 20 -8.636 4.772 -10.705 1.00 0.00 C ATOM 300 NH1 ARG A 20 -7.369 4.472 -10.795 1.00 0.00 N ATOM 301 NH2 ARG A 20 -9.292 5.147 -11.767 1.00 0.00 N ATOM 0 H ARG A 20 -10.565 3.098 -4.685 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.605 5.491 -6.081 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.464 2.791 -6.948 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.112 3.946 -8.096 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.504 5.693 -7.067 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.755 4.370 -6.194 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.531 4.734 -8.301 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.339 3.180 -8.373 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.238 4.941 -9.489 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.854 4.178 -9.965 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.893 4.532 -11.695 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.282 5.381 -11.698 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.815 5.207 -12.667 1.00 0.00 H new ATOM 315 N LYS A 21 -13.666 4.381 -7.272 1.00 0.00 N ATOM 316 CA LYS A 21 -15.046 3.905 -7.580 1.00 0.00 C ATOM 317 C LYS A 21 -15.011 2.416 -7.942 1.00 0.00 C ATOM 318 O LYS A 21 -16.009 1.726 -7.881 1.00 0.00 O ATOM 319 CB LYS A 21 -15.610 4.703 -8.767 1.00 0.00 C ATOM 320 CG LYS A 21 -14.612 4.682 -9.957 1.00 0.00 C ATOM 321 CD LYS A 21 -13.851 6.019 -10.055 1.00 0.00 C ATOM 322 CE LYS A 21 -14.694 7.046 -10.822 1.00 0.00 C ATOM 323 NZ LYS A 21 -14.138 8.412 -10.611 1.00 0.00 N ATOM 0 H LYS A 21 -13.315 5.112 -7.891 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.680 4.051 -6.705 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.565 4.279 -9.078 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.802 5.732 -8.463 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.904 3.863 -9.829 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.150 4.496 -10.886 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.626 6.393 -9.056 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.897 5.868 -10.561 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.699 6.805 -11.885 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.729 7.008 -10.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.712 9.105 -11.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.156 8.641 -9.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.158 8.445 -10.956 1.00 0.00 H new ATOM 337 N ASP A 22 -13.868 1.916 -8.324 1.00 0.00 N ATOM 338 CA ASP A 22 -13.774 0.472 -8.696 1.00 0.00 C ATOM 339 C ASP A 22 -13.534 -0.365 -7.436 1.00 0.00 C ATOM 340 O ASP A 22 -13.754 -1.561 -7.425 1.00 0.00 O ATOM 341 CB ASP A 22 -12.614 0.279 -9.670 1.00 0.00 C ATOM 342 CG ASP A 22 -12.934 0.983 -10.989 1.00 0.00 C ATOM 343 OD1 ASP A 22 -14.103 1.239 -11.233 1.00 0.00 O ATOM 344 OD2 ASP A 22 -12.008 1.258 -11.733 1.00 0.00 O ATOM 0 H ASP A 22 -12.997 2.441 -8.395 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.703 0.152 -9.168 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.696 0.683 -9.243 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.444 -0.784 -9.844 1.00 0.00 H new ATOM 349 N GLY A 23 -13.108 0.261 -6.363 1.00 0.00 N ATOM 350 CA GLY A 23 -12.877 -0.479 -5.083 1.00 0.00 C ATOM 351 C GLY A 23 -11.382 -0.674 -4.831 1.00 0.00 C ATOM 352 O GLY A 23 -10.963 -0.871 -3.709 1.00 0.00 O ATOM 0 H GLY A 23 -12.909 1.261 -6.321 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.321 0.072 -4.254 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.373 -1.449 -5.124 1.00 0.00 H new ATOM 356 N ARG A 24 -10.567 -0.629 -5.849 1.00 0.00 N ATOM 357 CA ARG A 24 -9.102 -0.823 -5.612 1.00 0.00 C ATOM 358 C ARG A 24 -8.574 0.314 -4.741 1.00 0.00 C ATOM 359 O ARG A 24 -9.043 1.433 -4.810 1.00 0.00 O ATOM 360 CB ARG A 24 -8.307 -0.898 -6.935 1.00 0.00 C ATOM 361 CG ARG A 24 -8.946 -0.042 -8.036 1.00 0.00 C ATOM 362 CD ARG A 24 -8.165 -0.220 -9.364 1.00 0.00 C ATOM 363 NE ARG A 24 -7.470 1.053 -9.712 1.00 0.00 N ATOM 364 CZ ARG A 24 -6.558 1.070 -10.643 1.00 0.00 C ATOM 365 NH1 ARG A 24 -6.205 -0.034 -11.235 1.00 0.00 N ATOM 366 NH2 ARG A 24 -5.987 2.194 -10.969 1.00 0.00 N ATOM 0 H ARG A 24 -10.841 -0.470 -6.818 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.965 -1.776 -5.100 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.284 -0.564 -6.763 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.252 -1.935 -7.267 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.988 -0.331 -8.175 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.943 1.007 -7.740 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.439 -1.027 -9.265 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.849 -0.503 -10.164 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.709 1.914 -9.220 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.642 -0.917 -10.971 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.491 -0.016 -11.963 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.254 3.058 -10.496 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.273 2.211 -11.697 1.00 0.00 H new ATOM 380 N TYR A 25 -7.604 0.029 -3.909 1.00 0.00 N ATOM 381 CA TYR A 25 -7.048 1.082 -3.017 1.00 0.00 C ATOM 382 C TYR A 25 -5.912 1.815 -3.726 1.00 0.00 C ATOM 383 O TYR A 25 -5.408 1.383 -4.745 1.00 0.00 O ATOM 384 CB TYR A 25 -6.515 0.446 -1.736 1.00 0.00 C ATOM 385 CG TYR A 25 -7.669 -0.097 -0.922 1.00 0.00 C ATOM 386 CD1 TYR A 25 -8.550 0.789 -0.286 1.00 0.00 C ATOM 387 CD2 TYR A 25 -7.858 -1.480 -0.801 1.00 0.00 C ATOM 388 CE1 TYR A 25 -9.620 0.292 0.471 1.00 0.00 C ATOM 389 CE2 TYR A 25 -8.925 -1.976 -0.043 1.00 0.00 C ATOM 390 CZ TYR A 25 -9.807 -1.093 0.591 1.00 0.00 C ATOM 391 OH TYR A 25 -10.855 -1.589 1.339 1.00 0.00 O ATOM 0 H TYR A 25 -7.175 -0.891 -3.812 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.839 1.790 -2.770 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.818 -0.356 -1.979 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.962 1.183 -1.155 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.404 1.855 -0.379 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.181 -2.163 -1.292 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.299 0.974 0.961 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.068 -3.042 0.053 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.368 -0.845 1.717 1.00 0.00 H new ATOM 401 N LEU A 26 -5.511 2.929 -3.187 1.00 0.00 N ATOM 402 CA LEU A 26 -4.411 3.717 -3.811 1.00 0.00 C ATOM 403 C LEU A 26 -3.636 4.445 -2.708 1.00 0.00 C ATOM 404 O LEU A 26 -4.188 5.235 -1.968 1.00 0.00 O ATOM 405 CB LEU A 26 -5.036 4.729 -4.776 1.00 0.00 C ATOM 406 CG LEU A 26 -3.980 5.712 -5.289 1.00 0.00 C ATOM 407 CD1 LEU A 26 -2.781 4.944 -5.862 1.00 0.00 C ATOM 408 CD2 LEU A 26 -4.607 6.584 -6.383 1.00 0.00 C ATOM 0 H LEU A 26 -5.900 3.332 -2.335 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.726 3.067 -4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.490 4.205 -5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.834 5.275 -4.272 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.633 6.339 -4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.035 5.652 -6.224 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.342 4.321 -5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.113 4.313 -6.686 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.864 7.289 -6.757 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.950 5.951 -7.201 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.453 7.133 -5.970 1.00 0.00 H new ATOM 420 N TYR A 27 -2.363 4.166 -2.588 1.00 0.00 N ATOM 421 CA TYR A 27 -1.527 4.810 -1.530 1.00 0.00 C ATOM 422 C TYR A 27 -0.235 5.344 -2.156 1.00 0.00 C ATOM 423 O TYR A 27 0.086 5.049 -3.290 1.00 0.00 O ATOM 424 CB TYR A 27 -1.188 3.757 -0.474 1.00 0.00 C ATOM 425 CG TYR A 27 -0.300 4.347 0.596 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.843 5.210 1.555 1.00 0.00 C ATOM 427 CD2 TYR A 27 1.060 4.015 0.641 1.00 0.00 C ATOM 428 CE1 TYR A 27 -0.028 5.741 2.563 1.00 0.00 C ATOM 429 CE2 TYR A 27 1.876 4.551 1.650 1.00 0.00 C ATOM 430 CZ TYR A 27 1.331 5.413 2.611 1.00 0.00 C ATOM 431 OH TYR A 27 2.134 5.937 3.609 1.00 0.00 O ATOM 0 H TYR A 27 -1.861 3.510 -3.187 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.070 5.637 -1.073 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.105 3.376 -0.024 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.688 2.910 -0.944 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.891 5.467 1.518 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.480 3.349 -0.098 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.449 6.404 3.304 1.00 0.00 H new ATOM 0 HE2 TYR A 27 2.925 4.299 1.686 1.00 0.00 H new ATOM 0 HH TYR A 27 3.050 5.608 3.498 1.00 0.00 H new ATOM 441 N LYS A 28 0.503 6.134 -1.420 1.00 0.00 N ATOM 442 CA LYS A 28 1.781 6.713 -1.944 1.00 0.00 C ATOM 443 C LYS A 28 2.885 6.480 -0.903 1.00 0.00 C ATOM 444 O LYS A 28 2.685 6.689 0.278 1.00 0.00 O ATOM 445 CB LYS A 28 1.578 8.220 -2.168 1.00 0.00 C ATOM 446 CG LYS A 28 2.826 8.854 -2.813 1.00 0.00 C ATOM 447 CD LYS A 28 2.831 10.367 -2.543 1.00 0.00 C ATOM 448 CE LYS A 28 3.999 11.021 -3.280 1.00 0.00 C ATOM 449 NZ LYS A 28 4.079 12.464 -2.909 1.00 0.00 N ATOM 0 H LYS A 28 0.273 6.407 -0.465 1.00 0.00 H new ATOM 0 HA LYS A 28 2.065 6.242 -2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.711 8.383 -2.808 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.368 8.708 -1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.729 8.399 -2.407 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.829 8.666 -3.887 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.890 10.807 -2.872 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.914 10.554 -1.472 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.931 10.517 -3.025 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.866 10.919 -4.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.874 12.908 -3.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.193 12.940 -3.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.226 12.551 -1.883 1.00 0.00 H new ATOM 463 N TYR A 29 4.049 6.047 -1.336 1.00 0.00 N ATOM 464 CA TYR A 29 5.181 5.797 -0.379 1.00 0.00 C ATOM 465 C TYR A 29 6.462 6.433 -0.945 1.00 0.00 C ATOM 466 O TYR A 29 6.519 6.793 -2.105 1.00 0.00 O ATOM 467 CB TYR A 29 5.371 4.280 -0.172 1.00 0.00 C ATOM 468 CG TYR A 29 6.081 3.652 -1.354 1.00 0.00 C ATOM 469 CD1 TYR A 29 5.374 3.358 -2.525 1.00 0.00 C ATOM 470 CD2 TYR A 29 7.449 3.361 -1.273 1.00 0.00 C ATOM 471 CE1 TYR A 29 6.034 2.772 -3.613 1.00 0.00 C ATOM 472 CE2 TYR A 29 8.109 2.776 -2.356 1.00 0.00 C ATOM 473 CZ TYR A 29 7.405 2.483 -3.528 1.00 0.00 C ATOM 474 OH TYR A 29 8.062 1.910 -4.599 1.00 0.00 O ATOM 0 H TYR A 29 4.265 5.855 -2.314 1.00 0.00 H new ATOM 0 HA TYR A 29 4.955 6.245 0.589 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.946 4.103 0.737 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.400 3.805 -0.033 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.320 3.583 -2.590 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.995 3.590 -0.370 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.488 2.543 -4.516 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.163 2.550 -2.288 1.00 0.00 H new ATOM 0 HH TYR A 29 8.835 2.462 -4.842 1.00 0.00 H new ATOM 484 N ILE A 30 7.487 6.589 -0.134 1.00 0.00 N ATOM 485 CA ILE A 30 8.756 7.218 -0.627 1.00 0.00 C ATOM 486 C ILE A 30 9.799 6.129 -0.867 1.00 0.00 C ATOM 487 O ILE A 30 9.993 5.249 -0.052 1.00 0.00 O ATOM 488 CB ILE A 30 9.291 8.196 0.435 1.00 0.00 C ATOM 489 CG1 ILE A 30 8.195 9.197 0.831 1.00 0.00 C ATOM 490 CG2 ILE A 30 10.508 8.966 -0.109 1.00 0.00 C ATOM 491 CD1 ILE A 30 7.581 9.846 -0.412 1.00 0.00 C ATOM 0 H ILE A 30 7.498 6.308 0.846 1.00 0.00 H new ATOM 0 HA ILE A 30 8.557 7.754 -1.555 1.00 0.00 H new ATOM 0 HB ILE A 30 9.592 7.620 1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.419 8.687 1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.615 9.966 1.479 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.874 9.653 0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.297 8.261 -0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.216 9.530 -0.995 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.807 10.551 -0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.356 10.374 -0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.142 9.075 -1.046 1.00 0.00 H new ATOM 503 N ASP A 31 10.484 6.187 -1.976 1.00 0.00 N ATOM 504 CA ASP A 31 11.526 5.163 -2.251 1.00 0.00 C ATOM 505 C ASP A 31 12.822 5.572 -1.544 1.00 0.00 C ATOM 506 O ASP A 31 13.039 6.729 -1.238 1.00 0.00 O ATOM 507 CB ASP A 31 11.773 5.066 -3.755 1.00 0.00 C ATOM 508 CG ASP A 31 10.530 4.496 -4.439 1.00 0.00 C ATOM 509 OD1 ASP A 31 9.499 4.448 -3.792 1.00 0.00 O ATOM 510 OD2 ASP A 31 10.628 4.121 -5.596 1.00 0.00 O ATOM 0 H ASP A 31 10.367 6.896 -2.699 1.00 0.00 H new ATOM 0 HA ASP A 31 11.192 4.193 -1.883 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.005 6.051 -4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.635 4.428 -3.953 1.00 0.00 H new ATOM 515 N SER A 32 13.673 4.628 -1.273 1.00 0.00 N ATOM 516 CA SER A 32 14.952 4.939 -0.574 1.00 0.00 C ATOM 517 C SER A 32 15.721 6.046 -1.307 1.00 0.00 C ATOM 518 O SER A 32 16.710 6.545 -0.809 1.00 0.00 O ATOM 519 CB SER A 32 15.807 3.679 -0.525 1.00 0.00 C ATOM 520 OG SER A 32 15.075 2.651 0.125 1.00 0.00 O ATOM 0 H SER A 32 13.539 3.644 -1.507 1.00 0.00 H new ATOM 0 HA SER A 32 14.727 5.286 0.435 1.00 0.00 H new ATOM 0 HB2 SER A 32 16.078 3.368 -1.534 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.737 3.875 0.009 1.00 0.00 H new ATOM 0 HG SER A 32 14.863 1.943 -0.519 1.00 0.00 H new ATOM 526 N PHE A 33 15.288 6.438 -2.479 1.00 0.00 N ATOM 527 CA PHE A 33 16.018 7.511 -3.221 1.00 0.00 C ATOM 528 C PHE A 33 15.319 8.849 -2.968 1.00 0.00 C ATOM 529 O PHE A 33 15.865 9.902 -3.228 1.00 0.00 O ATOM 530 CB PHE A 33 16.005 7.200 -4.722 1.00 0.00 C ATOM 531 CG PHE A 33 16.343 5.744 -4.952 1.00 0.00 C ATOM 532 CD1 PHE A 33 17.667 5.305 -4.840 1.00 0.00 C ATOM 533 CD2 PHE A 33 15.328 4.834 -5.279 1.00 0.00 C ATOM 534 CE1 PHE A 33 17.981 3.956 -5.057 1.00 0.00 C ATOM 535 CE2 PHE A 33 15.639 3.485 -5.495 1.00 0.00 C ATOM 536 CZ PHE A 33 16.966 3.044 -5.385 1.00 0.00 C ATOM 0 H PHE A 33 14.465 6.064 -2.952 1.00 0.00 H new ATOM 0 HA PHE A 33 17.051 7.561 -2.877 1.00 0.00 H new ATOM 0 HB2 PHE A 33 15.023 7.424 -5.140 1.00 0.00 H new ATOM 0 HB3 PHE A 33 16.724 7.835 -5.239 1.00 0.00 H new ATOM 0 HD1 PHE A 33 18.448 6.006 -4.586 1.00 0.00 H new ATOM 0 HD2 PHE A 33 14.306 5.173 -5.364 1.00 0.00 H new ATOM 0 HE1 PHE A 33 19.003 3.619 -4.972 1.00 0.00 H new ATOM 0 HE2 PHE A 33 14.857 2.784 -5.746 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.206 2.004 -5.552 1.00 0.00 H new ATOM 546 N GLY A 34 14.121 8.817 -2.435 1.00 0.00 N ATOM 547 CA GLY A 34 13.389 10.088 -2.136 1.00 0.00 C ATOM 548 C GLY A 34 12.411 10.414 -3.265 1.00 0.00 C ATOM 549 O GLY A 34 11.715 11.411 -3.228 1.00 0.00 O ATOM 0 H GLY A 34 13.618 7.963 -2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.849 9.992 -1.194 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.100 10.905 -2.014 1.00 0.00 H new ATOM 553 N GLU A 35 12.339 9.585 -4.267 1.00 0.00 N ATOM 554 CA GLU A 35 11.389 9.861 -5.380 1.00 0.00 C ATOM 555 C GLU A 35 9.996 9.341 -4.969 1.00 0.00 C ATOM 556 O GLU A 35 9.898 8.383 -4.232 1.00 0.00 O ATOM 557 CB GLU A 35 11.876 9.158 -6.655 1.00 0.00 C ATOM 558 CG GLU A 35 12.029 7.655 -6.409 1.00 0.00 C ATOM 559 CD GLU A 35 12.358 6.946 -7.721 1.00 0.00 C ATOM 560 OE1 GLU A 35 12.464 7.621 -8.731 1.00 0.00 O ATOM 561 OE2 GLU A 35 12.498 5.734 -7.692 1.00 0.00 O ATOM 0 H GLU A 35 12.892 8.734 -4.364 1.00 0.00 H new ATOM 0 HA GLU A 35 11.332 10.931 -5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.168 9.330 -7.466 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.830 9.581 -6.969 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.819 7.475 -5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.109 7.251 -5.988 1.00 0.00 H new ATOM 568 N PRO A 36 8.925 9.963 -5.417 1.00 0.00 N ATOM 569 CA PRO A 36 7.538 9.531 -5.056 1.00 0.00 C ATOM 570 C PRO A 36 7.018 8.372 -5.926 1.00 0.00 C ATOM 571 O PRO A 36 7.245 8.327 -7.117 1.00 0.00 O ATOM 572 CB PRO A 36 6.715 10.792 -5.316 1.00 0.00 C ATOM 573 CG PRO A 36 7.401 11.459 -6.461 1.00 0.00 C ATOM 574 CD PRO A 36 8.897 11.144 -6.306 1.00 0.00 C ATOM 0 HA PRO A 36 7.485 9.153 -4.035 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.681 10.547 -5.561 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.690 11.437 -4.438 1.00 0.00 H new ATOM 0 HG2 PRO A 36 7.021 11.087 -7.413 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.226 12.535 -6.447 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.361 10.930 -7.269 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.439 11.984 -5.871 1.00 0.00 H new ATOM 582 N GLN A 37 6.297 7.449 -5.337 1.00 0.00 N ATOM 583 CA GLN A 37 5.730 6.303 -6.122 1.00 0.00 C ATOM 584 C GLN A 37 4.301 6.021 -5.624 1.00 0.00 C ATOM 585 O GLN A 37 3.918 6.437 -4.547 1.00 0.00 O ATOM 586 CB GLN A 37 6.614 5.054 -5.929 1.00 0.00 C ATOM 587 CG GLN A 37 7.779 5.058 -6.931 1.00 0.00 C ATOM 588 CD GLN A 37 8.731 6.206 -6.608 1.00 0.00 C ATOM 589 OE1 GLN A 37 8.941 6.525 -5.366 1.00 0.00 O flip ATOM 590 NE2 GLN A 37 9.289 6.818 -7.497 1.00 0.00 N flip ATOM 0 H GLN A 37 6.075 7.439 -4.342 1.00 0.00 H new ATOM 0 HA GLN A 37 5.705 6.553 -7.183 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.003 5.030 -4.911 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.015 4.153 -6.063 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.312 4.108 -6.888 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.398 5.164 -7.947 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.123 6.566 -8.471 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.923 7.583 -7.269 1.00 0.00 H new ATOM 599 N PHE A 38 3.508 5.321 -6.406 1.00 0.00 N ATOM 600 CA PHE A 38 2.099 5.008 -5.991 1.00 0.00 C ATOM 601 C PHE A 38 1.813 3.522 -6.210 1.00 0.00 C ATOM 602 O PHE A 38 2.271 2.923 -7.164 1.00 0.00 O ATOM 603 CB PHE A 38 1.118 5.840 -6.822 1.00 0.00 C ATOM 604 CG PHE A 38 1.177 7.286 -6.387 1.00 0.00 C ATOM 605 CD1 PHE A 38 2.262 8.084 -6.764 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.142 7.833 -5.616 1.00 0.00 C ATOM 607 CE1 PHE A 38 2.313 9.428 -6.370 1.00 0.00 C ATOM 608 CE2 PHE A 38 0.194 9.173 -5.221 1.00 0.00 C ATOM 609 CZ PHE A 38 1.276 9.972 -5.598 1.00 0.00 C ATOM 0 H PHE A 38 3.778 4.952 -7.318 1.00 0.00 H new ATOM 0 HA PHE A 38 1.978 5.250 -4.935 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.364 5.759 -7.881 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.106 5.455 -6.700 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.060 7.665 -7.358 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.697 7.218 -5.327 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.151 10.045 -6.661 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.603 9.591 -4.624 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.314 11.008 -5.295 1.00 0.00 H new ATOM 619 N VAL A 39 1.065 2.925 -5.315 1.00 0.00 N ATOM 620 CA VAL A 39 0.737 1.471 -5.418 1.00 0.00 C ATOM 621 C VAL A 39 -0.788 1.280 -5.458 1.00 0.00 C ATOM 622 O VAL A 39 -1.542 2.063 -4.913 1.00 0.00 O ATOM 623 CB VAL A 39 1.304 0.768 -4.172 1.00 0.00 C ATOM 624 CG1 VAL A 39 2.789 0.461 -4.374 1.00 0.00 C ATOM 625 CG2 VAL A 39 1.136 1.687 -2.956 1.00 0.00 C ATOM 0 H VAL A 39 0.661 3.393 -4.504 1.00 0.00 H new ATOM 0 HA VAL A 39 1.168 1.053 -6.328 1.00 0.00 H new ATOM 0 HB VAL A 39 0.766 -0.166 -4.010 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.182 -0.036 -3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.911 -0.190 -5.239 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.333 1.391 -4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.536 1.194 -2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.674 2.619 -3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.078 1.902 -2.806 1.00 0.00 H new ATOM 635 N TYR A 40 -1.236 0.226 -6.094 1.00 0.00 N ATOM 636 CA TYR A 40 -2.701 -0.071 -6.180 1.00 0.00 C ATOM 637 C TYR A 40 -2.942 -1.473 -5.620 1.00 0.00 C ATOM 638 O TYR A 40 -2.079 -2.328 -5.681 1.00 0.00 O ATOM 639 CB TYR A 40 -3.147 -0.016 -7.639 1.00 0.00 C ATOM 640 CG TYR A 40 -3.096 1.415 -8.114 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.861 2.013 -8.396 1.00 0.00 C ATOM 642 CD2 TYR A 40 -4.279 2.145 -8.259 1.00 0.00 C ATOM 643 CE1 TYR A 40 -1.810 3.344 -8.822 1.00 0.00 C ATOM 644 CE2 TYR A 40 -4.230 3.471 -8.688 1.00 0.00 C ATOM 645 CZ TYR A 40 -2.996 4.074 -8.970 1.00 0.00 C ATOM 646 OH TYR A 40 -2.952 5.388 -9.387 1.00 0.00 O ATOM 0 H TYR A 40 -0.638 -0.453 -6.565 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.269 0.663 -5.608 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.499 -0.640 -8.255 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.158 -0.410 -7.739 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.948 1.446 -8.284 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.230 1.683 -8.039 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.858 3.808 -9.036 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.144 4.034 -8.803 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.863 5.746 -9.438 1.00 0.00 H new ATOM 656 N SER A 41 -4.094 -1.720 -5.060 1.00 0.00 N ATOM 657 CA SER A 41 -4.345 -3.071 -4.482 1.00 0.00 C ATOM 658 C SER A 41 -5.837 -3.260 -4.196 1.00 0.00 C ATOM 659 O SER A 41 -6.547 -2.326 -3.884 1.00 0.00 O ATOM 660 CB SER A 41 -3.564 -3.206 -3.176 1.00 0.00 C ATOM 661 OG SER A 41 -3.851 -4.468 -2.585 1.00 0.00 O ATOM 0 H SER A 41 -4.863 -1.055 -4.978 1.00 0.00 H new ATOM 0 HA SER A 41 -4.023 -3.829 -5.196 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.495 -3.116 -3.367 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.834 -2.401 -2.492 1.00 0.00 H new ATOM 0 HG SER A 41 -3.023 -4.864 -2.241 1.00 0.00 H new ATOM 667 N TRP A 42 -6.312 -4.470 -4.310 1.00 0.00 N ATOM 668 CA TRP A 42 -7.755 -4.752 -4.055 1.00 0.00 C ATOM 669 C TRP A 42 -7.954 -5.119 -2.578 1.00 0.00 C ATOM 670 O TRP A 42 -9.011 -5.571 -2.183 1.00 0.00 O ATOM 671 CB TRP A 42 -8.195 -5.926 -4.948 1.00 0.00 C ATOM 672 CG TRP A 42 -8.516 -5.428 -6.314 1.00 0.00 C ATOM 673 CD1 TRP A 42 -7.672 -5.452 -7.364 1.00 0.00 C ATOM 674 CD2 TRP A 42 -9.757 -4.838 -6.793 1.00 0.00 C ATOM 675 NE1 TRP A 42 -8.314 -4.913 -8.460 1.00 0.00 N ATOM 676 CE2 TRP A 42 -9.600 -4.516 -8.157 1.00 0.00 C ATOM 677 CE3 TRP A 42 -10.990 -4.552 -6.180 1.00 0.00 C ATOM 678 CZ2 TRP A 42 -10.628 -3.932 -8.895 1.00 0.00 C ATOM 679 CZ3 TRP A 42 -12.031 -3.962 -6.918 1.00 0.00 C ATOM 680 CH2 TRP A 42 -11.849 -3.651 -8.275 1.00 0.00 C ATOM 0 H TRP A 42 -5.757 -5.284 -4.572 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.353 -3.870 -4.284 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.402 -6.672 -5.000 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.067 -6.417 -4.516 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.661 -5.830 -7.350 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.889 -4.819 -9.383 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.138 -4.787 -5.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.482 -3.698 -9.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.975 -3.747 -6.439 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.650 -3.196 -8.838 1.00 0.00 H new ATOM 691 N LYS A 43 -6.946 -4.932 -1.759 1.00 0.00 N ATOM 692 CA LYS A 43 -7.075 -5.276 -0.307 1.00 0.00 C ATOM 693 C LYS A 43 -6.383 -4.216 0.553 1.00 0.00 C ATOM 694 O LYS A 43 -5.337 -3.704 0.203 1.00 0.00 O ATOM 695 CB LYS A 43 -6.389 -6.611 -0.039 1.00 0.00 C ATOM 696 CG LYS A 43 -7.020 -7.702 -0.898 1.00 0.00 C ATOM 697 CD LYS A 43 -6.506 -9.078 -0.443 1.00 0.00 C ATOM 698 CE LYS A 43 -4.971 -9.093 -0.470 1.00 0.00 C ATOM 699 NZ LYS A 43 -4.442 -8.509 0.793 1.00 0.00 N ATOM 0 H LYS A 43 -6.039 -4.556 -2.034 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.135 -5.326 -0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.324 -6.533 -0.259 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.478 -6.870 1.016 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.106 -7.662 -0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.775 -7.540 -1.948 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.864 -9.296 0.563 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.898 -9.857 -1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.610 -10.114 -0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.607 -8.524 -1.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.049 -7.565 0.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.212 -8.429 1.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.695 -9.124 1.174 1.00 0.00 H new ATOM 713 N LEU A 44 -6.936 -3.915 1.700 1.00 0.00 N ATOM 714 CA LEU A 44 -6.289 -2.925 2.611 1.00 0.00 C ATOM 715 C LEU A 44 -5.359 -3.690 3.557 1.00 0.00 C ATOM 716 O LEU A 44 -4.246 -3.280 3.812 1.00 0.00 O ATOM 717 CB LEU A 44 -7.367 -2.181 3.410 1.00 0.00 C ATOM 718 CG LEU A 44 -6.725 -1.246 4.446 1.00 0.00 C ATOM 719 CD1 LEU A 44 -5.818 -0.218 3.750 1.00 0.00 C ATOM 720 CD2 LEU A 44 -7.833 -0.514 5.209 1.00 0.00 C ATOM 0 H LEU A 44 -7.809 -4.313 2.045 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.718 -2.193 2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.996 -1.604 2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.015 -2.899 3.913 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.121 -1.836 5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.370 0.437 4.497 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.030 -0.738 3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.409 0.377 3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.387 0.153 5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.433 0.068 4.510 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.469 -1.241 5.714 1.00 0.00 H new ATOM 732 N VAL A 45 -5.818 -4.813 4.064 1.00 0.00 N ATOM 733 CA VAL A 45 -4.989 -5.653 4.992 1.00 0.00 C ATOM 734 C VAL A 45 -4.871 -7.069 4.402 1.00 0.00 C ATOM 735 O VAL A 45 -5.564 -7.420 3.467 1.00 0.00 O ATOM 736 CB VAL A 45 -5.666 -5.732 6.366 1.00 0.00 C ATOM 737 CG1 VAL A 45 -5.692 -4.344 7.008 1.00 0.00 C ATOM 738 CG2 VAL A 45 -7.095 -6.251 6.203 1.00 0.00 C ATOM 0 H VAL A 45 -6.746 -5.188 3.871 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.000 -5.208 5.106 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.105 -6.413 7.006 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.174 -4.404 7.984 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.672 -3.980 7.128 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.249 -3.658 6.370 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.575 -6.307 7.180 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.657 -5.573 5.560 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.073 -7.243 5.752 1.00 0.00 H new ATOM 748 N ALA A 46 -3.990 -7.879 4.928 1.00 0.00 N ATOM 749 CA ALA A 46 -3.814 -9.266 4.386 1.00 0.00 C ATOM 750 C ALA A 46 -4.986 -10.182 4.768 1.00 0.00 C ATOM 751 O ALA A 46 -5.052 -11.315 4.333 1.00 0.00 O ATOM 752 CB ALA A 46 -2.514 -9.866 4.924 1.00 0.00 C ATOM 0 H ALA A 46 -3.382 -7.642 5.712 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.779 -9.194 3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.388 -10.874 4.529 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.672 -9.247 4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.555 -9.905 6.013 1.00 0.00 H new ATOM 758 N THR A 47 -5.902 -9.732 5.586 1.00 0.00 N ATOM 759 CA THR A 47 -7.040 -10.628 5.979 1.00 0.00 C ATOM 760 C THR A 47 -8.189 -10.485 4.978 1.00 0.00 C ATOM 761 O THR A 47 -9.057 -11.332 4.886 1.00 0.00 O ATOM 762 CB THR A 47 -7.540 -10.238 7.375 1.00 0.00 C ATOM 763 OG1 THR A 47 -8.170 -8.965 7.313 1.00 0.00 O ATOM 764 CG2 THR A 47 -6.358 -10.176 8.347 1.00 0.00 C ATOM 0 H THR A 47 -5.916 -8.798 5.996 1.00 0.00 H new ATOM 0 HA THR A 47 -6.692 -11.661 5.985 1.00 0.00 H new ATOM 0 HB THR A 47 -8.255 -10.983 7.724 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.492 -8.715 8.204 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.716 -9.899 9.338 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.875 -11.152 8.396 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.640 -9.433 8.000 1.00 0.00 H new ATOM 772 N ASP A 48 -8.200 -9.427 4.222 1.00 0.00 N ATOM 773 CA ASP A 48 -9.286 -9.230 3.220 1.00 0.00 C ATOM 774 C ASP A 48 -9.080 -10.192 2.042 1.00 0.00 C ATOM 775 O ASP A 48 -8.093 -10.897 1.974 1.00 0.00 O ATOM 776 CB ASP A 48 -9.253 -7.788 2.722 1.00 0.00 C ATOM 777 CG ASP A 48 -9.488 -6.838 3.897 1.00 0.00 C ATOM 778 OD1 ASP A 48 -9.799 -7.323 4.971 1.00 0.00 O ATOM 779 OD2 ASP A 48 -9.343 -5.642 3.704 1.00 0.00 O ATOM 0 H ASP A 48 -7.501 -8.685 4.253 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.253 -9.433 3.681 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.291 -7.575 2.255 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.018 -7.637 1.960 1.00 0.00 H new ATOM 784 N ARG A 49 -10.002 -10.224 1.109 1.00 0.00 N ATOM 785 CA ARG A 49 -9.859 -11.134 -0.072 1.00 0.00 C ATOM 786 C ARG A 49 -10.308 -10.379 -1.328 1.00 0.00 C ATOM 787 O ARG A 49 -11.201 -9.558 -1.278 1.00 0.00 O ATOM 788 CB ARG A 49 -10.708 -12.404 0.155 1.00 0.00 C ATOM 789 CG ARG A 49 -12.195 -12.151 -0.192 1.00 0.00 C ATOM 790 CD ARG A 49 -12.471 -12.479 -1.677 1.00 0.00 C ATOM 791 NE ARG A 49 -13.013 -13.862 -1.791 1.00 0.00 N ATOM 792 CZ ARG A 49 -13.564 -14.247 -2.909 1.00 0.00 C ATOM 793 NH1 ARG A 49 -13.560 -13.449 -3.940 1.00 0.00 N ATOM 794 NH2 ARG A 49 -14.099 -15.435 -3.003 1.00 0.00 N ATOM 0 H ARG A 49 -10.850 -9.657 1.115 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.821 -11.441 -0.200 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.322 -13.218 -0.459 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.623 -12.721 1.194 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.832 -12.764 0.446 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.449 -11.110 0.009 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.181 -11.764 -2.092 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.552 -12.389 -2.257 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.954 -14.504 -1.000 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.127 -12.528 -3.870 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.990 -13.746 -4.816 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.087 -16.065 -2.201 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.529 -15.733 -3.879 1.00 0.00 H new ATOM 808 N VAL A 50 -9.686 -10.637 -2.454 1.00 0.00 N ATOM 809 CA VAL A 50 -10.081 -9.916 -3.696 1.00 0.00 C ATOM 810 C VAL A 50 -11.347 -10.560 -4.290 1.00 0.00 C ATOM 811 O VAL A 50 -11.377 -11.755 -4.507 1.00 0.00 O ATOM 812 CB VAL A 50 -8.951 -10.002 -4.737 1.00 0.00 C ATOM 813 CG1 VAL A 50 -7.632 -9.600 -4.093 1.00 0.00 C ATOM 814 CG2 VAL A 50 -8.834 -11.427 -5.296 1.00 0.00 C ATOM 0 H VAL A 50 -8.928 -11.311 -2.562 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.274 -8.872 -3.447 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.184 -9.323 -5.558 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.833 -9.662 -4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.705 -8.578 -3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.412 -10.272 -3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.029 -11.465 -6.030 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.617 -12.120 -4.483 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.773 -11.709 -5.772 1.00 0.00 H new ATOM 824 N PRO A 51 -12.379 -9.800 -4.588 1.00 0.00 N ATOM 825 CA PRO A 51 -13.606 -10.378 -5.195 1.00 0.00 C ATOM 826 C PRO A 51 -13.237 -11.325 -6.343 1.00 0.00 C ATOM 827 O PRO A 51 -12.321 -11.059 -7.094 1.00 0.00 O ATOM 828 CB PRO A 51 -14.366 -9.149 -5.720 1.00 0.00 C ATOM 829 CG PRO A 51 -13.929 -8.017 -4.842 1.00 0.00 C ATOM 830 CD PRO A 51 -12.503 -8.345 -4.381 1.00 0.00 C ATOM 0 HA PRO A 51 -14.196 -10.966 -4.492 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.125 -8.953 -6.765 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.444 -9.298 -5.664 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.953 -7.073 -5.386 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -14.597 -7.909 -3.988 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.761 -7.796 -4.961 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.352 -8.078 -3.335 1.00 0.00 H new ATOM 838 N ALA A 52 -13.929 -12.424 -6.481 1.00 0.00 N ATOM 839 CA ALA A 52 -13.600 -13.383 -7.579 1.00 0.00 C ATOM 840 C ALA A 52 -13.374 -12.621 -8.892 1.00 0.00 C ATOM 841 O ALA A 52 -14.028 -11.636 -9.170 1.00 0.00 O ATOM 842 CB ALA A 52 -14.754 -14.380 -7.751 1.00 0.00 C ATOM 0 H ALA A 52 -14.707 -12.700 -5.882 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.689 -13.923 -7.322 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.514 -15.079 -8.552 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.902 -14.930 -6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.667 -13.840 -8.002 1.00 0.00 H new ATOM 848 N GLY A 53 -12.442 -13.071 -9.696 1.00 0.00 N ATOM 849 CA GLY A 53 -12.150 -12.381 -10.995 1.00 0.00 C ATOM 850 C GLY A 53 -10.842 -11.598 -10.859 1.00 0.00 C ATOM 851 O GLY A 53 -10.089 -11.455 -11.805 1.00 0.00 O ATOM 0 H GLY A 53 -11.866 -13.892 -9.508 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.070 -13.112 -11.800 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.967 -11.708 -11.256 1.00 0.00 H new ATOM 855 N LYS A 54 -10.559 -11.099 -9.684 1.00 0.00 N ATOM 856 CA LYS A 54 -9.299 -10.335 -9.466 1.00 0.00 C ATOM 857 C LYS A 54 -8.214 -11.309 -8.991 1.00 0.00 C ATOM 858 O LYS A 54 -8.470 -12.210 -8.215 1.00 0.00 O ATOM 859 CB LYS A 54 -9.534 -9.262 -8.388 1.00 0.00 C ATOM 860 CG LYS A 54 -10.217 -8.015 -8.985 1.00 0.00 C ATOM 861 CD LYS A 54 -11.731 -8.232 -9.086 1.00 0.00 C ATOM 862 CE LYS A 54 -12.355 -7.111 -9.919 1.00 0.00 C ATOM 863 NZ LYS A 54 -13.781 -7.439 -10.206 1.00 0.00 N ATOM 0 H LYS A 54 -11.153 -11.190 -8.860 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.987 -9.852 -10.392 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.153 -9.673 -7.591 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.582 -8.979 -7.939 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.009 -7.145 -8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.807 -7.805 -9.973 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.940 -9.199 -9.544 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.174 -8.248 -8.090 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.289 -6.165 -9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.805 -6.987 -10.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.205 -6.677 -10.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.832 -8.333 -10.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.302 -7.536 -9.311 1.00 0.00 H new ATOM 877 N ARG A 55 -7.007 -11.144 -9.452 1.00 0.00 N ATOM 878 CA ARG A 55 -5.915 -12.064 -9.029 1.00 0.00 C ATOM 879 C ARG A 55 -5.467 -11.710 -7.612 1.00 0.00 C ATOM 880 O ARG A 55 -5.613 -10.591 -7.166 1.00 0.00 O ATOM 881 CB ARG A 55 -4.726 -11.907 -9.979 1.00 0.00 C ATOM 882 CG ARG A 55 -4.217 -10.465 -9.913 1.00 0.00 C ATOM 883 CD ARG A 55 -3.305 -10.194 -11.108 1.00 0.00 C ATOM 884 NE ARG A 55 -4.075 -10.392 -12.367 1.00 0.00 N ATOM 885 CZ ARG A 55 -3.607 -9.944 -13.495 1.00 0.00 C ATOM 886 NH1 ARG A 55 -2.477 -9.294 -13.520 1.00 0.00 N ATOM 887 NH2 ARG A 55 -4.279 -10.134 -14.595 1.00 0.00 N ATOM 0 H ARG A 55 -6.729 -10.411 -10.104 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.279 -13.091 -9.053 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.931 -12.599 -9.703 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.024 -12.154 -10.998 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.057 -9.771 -9.918 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.674 -10.302 -8.982 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.917 -9.176 -11.061 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.446 -10.864 -11.084 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.971 -10.880 -12.345 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.960 -9.137 -12.655 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.110 -8.943 -14.405 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.169 -10.632 -14.570 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.916 -9.784 -15.482 1.00 0.00 H new ATOM 901 N ASP A 56 -4.906 -12.653 -6.912 1.00 0.00 N ATOM 902 CA ASP A 56 -4.425 -12.376 -5.530 1.00 0.00 C ATOM 903 C ASP A 56 -3.507 -11.151 -5.551 1.00 0.00 C ATOM 904 O ASP A 56 -2.918 -10.826 -6.563 1.00 0.00 O ATOM 905 CB ASP A 56 -3.639 -13.590 -5.034 1.00 0.00 C ATOM 906 CG ASP A 56 -2.510 -13.889 -6.021 1.00 0.00 C ATOM 907 OD1 ASP A 56 -2.302 -13.084 -6.913 1.00 0.00 O ATOM 908 OD2 ASP A 56 -1.875 -14.920 -5.875 1.00 0.00 O ATOM 0 H ASP A 56 -4.759 -13.608 -7.238 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.271 -12.184 -4.870 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.230 -13.395 -4.043 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.298 -14.454 -4.943 1.00 0.00 H new ATOM 913 N CYS A 57 -3.379 -10.464 -4.443 1.00 0.00 N ATOM 914 CA CYS A 57 -2.495 -9.259 -4.408 1.00 0.00 C ATOM 915 C CYS A 57 -2.012 -9.023 -2.973 1.00 0.00 C ATOM 916 O CYS A 57 -2.614 -9.484 -2.023 1.00 0.00 O ATOM 917 CB CYS A 57 -3.270 -8.033 -4.907 1.00 0.00 C ATOM 918 SG CYS A 57 -3.490 -8.151 -6.702 1.00 0.00 S ATOM 0 H CYS A 57 -3.847 -10.685 -3.564 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.634 -9.421 -5.056 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.240 -7.976 -4.413 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.730 -7.120 -4.655 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.370 -9.391 -7.073 1.00 0.00 H new ATOM 924 N ILE A 58 -0.920 -8.321 -2.807 1.00 0.00 N ATOM 925 CA ILE A 58 -0.394 -8.073 -1.431 1.00 0.00 C ATOM 926 C ILE A 58 -1.087 -6.848 -0.810 1.00 0.00 C ATOM 927 O ILE A 58 -1.241 -5.821 -1.442 1.00 0.00 O ATOM 928 CB ILE A 58 1.113 -7.827 -1.504 1.00 0.00 C ATOM 929 CG1 ILE A 58 1.793 -9.058 -2.120 1.00 0.00 C ATOM 930 CG2 ILE A 58 1.660 -7.593 -0.093 1.00 0.00 C ATOM 931 CD1 ILE A 58 3.271 -8.762 -2.396 1.00 0.00 C ATOM 0 H ILE A 58 -0.371 -7.910 -3.562 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.596 -8.945 -0.808 1.00 0.00 H new ATOM 0 HB ILE A 58 1.314 -6.950 -2.119 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.705 -9.908 -1.444 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.291 -9.335 -3.047 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.735 -7.417 -0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.171 -6.724 0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.464 -8.471 0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.743 -9.642 -2.833 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.351 -7.925 -3.090 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.772 -8.508 -1.462 1.00 0.00 H new ATOM 943 N SER A 59 -1.496 -6.950 0.428 1.00 0.00 N ATOM 944 CA SER A 59 -2.167 -5.796 1.101 1.00 0.00 C ATOM 945 C SER A 59 -1.217 -4.593 1.099 1.00 0.00 C ATOM 946 O SER A 59 -0.016 -4.752 1.054 1.00 0.00 O ATOM 947 CB SER A 59 -2.491 -6.171 2.545 1.00 0.00 C ATOM 948 OG SER A 59 -1.279 -6.251 3.291 1.00 0.00 O ATOM 0 H SER A 59 -1.394 -7.785 1.004 1.00 0.00 H new ATOM 0 HA SER A 59 -3.086 -5.546 0.571 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.155 -5.428 2.986 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.015 -7.126 2.577 1.00 0.00 H new ATOM 0 HG SER A 59 -1.482 -6.490 4.220 1.00 0.00 H new ATOM 954 N LEU A 60 -1.736 -3.392 1.141 1.00 0.00 N ATOM 955 CA LEU A 60 -0.834 -2.203 1.134 1.00 0.00 C ATOM 956 C LEU A 60 0.089 -2.241 2.355 1.00 0.00 C ATOM 957 O LEU A 60 1.293 -2.124 2.240 1.00 0.00 O ATOM 958 CB LEU A 60 -1.671 -0.919 1.182 1.00 0.00 C ATOM 959 CG LEU A 60 -2.493 -0.753 -0.103 1.00 0.00 C ATOM 960 CD1 LEU A 60 -3.360 0.509 0.016 1.00 0.00 C ATOM 961 CD2 LEU A 60 -1.561 -0.635 -1.326 1.00 0.00 C ATOM 0 H LEU A 60 -2.734 -3.185 1.179 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.236 -2.220 0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.338 -0.947 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.016 -0.058 1.313 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.130 -1.627 -0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.947 0.634 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.030 0.411 0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.719 1.379 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.159 -0.518 -2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.911 0.232 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.953 -1.536 -1.408 1.00 0.00 H new ATOM 973 N ARG A 61 -0.470 -2.395 3.520 1.00 0.00 N ATOM 974 CA ARG A 61 0.361 -2.431 4.759 1.00 0.00 C ATOM 975 C ARG A 61 1.555 -3.366 4.556 1.00 0.00 C ATOM 976 O ARG A 61 2.685 -3.000 4.811 1.00 0.00 O ATOM 977 CB ARG A 61 -0.504 -2.938 5.919 1.00 0.00 C ATOM 978 CG ARG A 61 -1.849 -2.188 5.946 1.00 0.00 C ATOM 979 CD ARG A 61 -1.624 -0.672 5.857 1.00 0.00 C ATOM 980 NE ARG A 61 -2.904 0.046 6.119 1.00 0.00 N ATOM 981 CZ ARG A 61 -2.890 1.332 6.362 1.00 0.00 C ATOM 982 NH1 ARG A 61 -1.752 1.969 6.438 1.00 0.00 N ATOM 983 NH2 ARG A 61 -4.010 1.984 6.533 1.00 0.00 N ATOM 0 H ARG A 61 -1.473 -2.498 3.671 1.00 0.00 H new ATOM 0 HA ARG A 61 0.732 -1.431 4.984 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.678 -4.009 5.812 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.020 -2.794 6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.472 -2.518 5.115 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.387 -2.428 6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.869 -0.364 6.581 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.245 -0.409 4.870 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.788 -0.463 6.109 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.875 1.464 6.308 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.740 2.971 6.627 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.901 1.491 6.477 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.993 2.986 6.722 1.00 0.00 H new ATOM 997 N GLU A 62 1.323 -4.562 4.087 1.00 0.00 N ATOM 998 CA GLU A 62 2.456 -5.502 3.861 1.00 0.00 C ATOM 999 C GLU A 62 3.306 -4.996 2.694 1.00 0.00 C ATOM 1000 O GLU A 62 4.507 -5.175 2.658 1.00 0.00 O ATOM 1001 CB GLU A 62 1.911 -6.886 3.508 1.00 0.00 C ATOM 1002 CG GLU A 62 1.315 -7.551 4.746 1.00 0.00 C ATOM 1003 CD GLU A 62 0.884 -8.971 4.385 1.00 0.00 C ATOM 1004 OE1 GLU A 62 0.439 -9.164 3.264 1.00 0.00 O ATOM 1005 OE2 GLU A 62 1.008 -9.843 5.229 1.00 0.00 O ATOM 0 H GLU A 62 0.400 -4.927 3.851 1.00 0.00 H new ATOM 0 HA GLU A 62 3.060 -5.563 4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.150 -6.798 2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.710 -7.507 3.102 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.048 -7.573 5.552 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.461 -6.978 5.108 1.00 0.00 H new ATOM 1012 N LYS A 63 2.681 -4.389 1.727 1.00 0.00 N ATOM 1013 CA LYS A 63 3.429 -3.884 0.544 1.00 0.00 C ATOM 1014 C LYS A 63 4.305 -2.687 0.947 1.00 0.00 C ATOM 1015 O LYS A 63 5.435 -2.555 0.518 1.00 0.00 O ATOM 1016 CB LYS A 63 2.413 -3.451 -0.516 1.00 0.00 C ATOM 1017 CG LYS A 63 3.083 -3.406 -1.895 1.00 0.00 C ATOM 1018 CD LYS A 63 2.144 -2.755 -2.924 1.00 0.00 C ATOM 1019 CE LYS A 63 1.126 -3.784 -3.443 1.00 0.00 C ATOM 1020 NZ LYS A 63 1.747 -4.580 -4.535 1.00 0.00 N ATOM 0 H LYS A 63 1.675 -4.219 1.705 1.00 0.00 H new ATOM 0 HA LYS A 63 4.076 -4.667 0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.573 -4.146 -0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.010 -2.470 -0.266 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.015 -2.843 -1.836 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.340 -4.416 -2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.621 -1.914 -2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.725 -2.357 -3.756 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.810 -4.441 -2.633 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.233 -3.277 -3.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.062 -5.277 -4.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.028 -3.946 -5.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.586 -5.074 -4.170 1.00 0.00 H new ATOM 1034 N ILE A 64 3.785 -1.813 1.763 1.00 0.00 N ATOM 1035 CA ILE A 64 4.569 -0.618 2.196 1.00 0.00 C ATOM 1036 C ILE A 64 5.819 -1.080 2.969 1.00 0.00 C ATOM 1037 O ILE A 64 6.922 -0.657 2.682 1.00 0.00 O ATOM 1038 CB ILE A 64 3.651 0.276 3.077 1.00 0.00 C ATOM 1039 CG1 ILE A 64 2.844 1.266 2.198 1.00 0.00 C ATOM 1040 CG2 ILE A 64 4.467 1.068 4.110 1.00 0.00 C ATOM 1041 CD1 ILE A 64 1.636 0.561 1.590 1.00 0.00 C ATOM 0 H ILE A 64 2.844 -1.874 2.152 1.00 0.00 H new ATOM 0 HA ILE A 64 4.905 -0.038 1.336 1.00 0.00 H new ATOM 0 HB ILE A 64 2.964 -0.386 3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.516 2.114 2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.480 1.663 1.407 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.796 1.683 4.710 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.002 0.375 4.759 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.183 1.709 3.595 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.076 1.265 0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.973 -0.272 0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.994 0.186 2.387 1.00 0.00 H new ATOM 1053 N ALA A 65 5.661 -1.942 3.934 1.00 0.00 N ATOM 1054 CA ALA A 65 6.847 -2.421 4.706 1.00 0.00 C ATOM 1055 C ALA A 65 7.839 -3.105 3.762 1.00 0.00 C ATOM 1056 O ALA A 65 9.040 -3.003 3.922 1.00 0.00 O ATOM 1057 CB ALA A 65 6.391 -3.427 5.767 1.00 0.00 C ATOM 0 H ALA A 65 4.766 -2.336 4.223 1.00 0.00 H new ATOM 0 HA ALA A 65 7.329 -1.569 5.185 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.255 -3.778 6.331 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.686 -2.946 6.445 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.907 -4.274 5.281 1.00 0.00 H new ATOM 1063 N GLU A 66 7.340 -3.821 2.794 1.00 0.00 N ATOM 1064 CA GLU A 66 8.241 -4.541 1.852 1.00 0.00 C ATOM 1065 C GLU A 66 8.959 -3.560 0.903 1.00 0.00 C ATOM 1066 O GLU A 66 10.135 -3.697 0.637 1.00 0.00 O ATOM 1067 CB GLU A 66 7.397 -5.520 1.025 1.00 0.00 C ATOM 1068 CG GLU A 66 8.303 -6.403 0.156 1.00 0.00 C ATOM 1069 CD GLU A 66 9.174 -7.288 1.054 1.00 0.00 C ATOM 1070 OE1 GLU A 66 8.634 -7.866 1.985 1.00 0.00 O ATOM 1071 OE2 GLU A 66 10.363 -7.371 0.797 1.00 0.00 O ATOM 0 H GLU A 66 6.343 -3.939 2.614 1.00 0.00 H new ATOM 0 HA GLU A 66 9.000 -5.071 2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.798 -6.144 1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.702 -4.967 0.393 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.697 -7.023 -0.505 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.933 -5.781 -0.479 1.00 0.00 H new ATOM 1078 N LEU A 67 8.263 -2.596 0.359 1.00 0.00 N ATOM 1079 CA LEU A 67 8.920 -1.656 -0.607 1.00 0.00 C ATOM 1080 C LEU A 67 9.977 -0.785 0.080 1.00 0.00 C ATOM 1081 O LEU A 67 10.961 -0.410 -0.520 1.00 0.00 O ATOM 1082 CB LEU A 67 7.865 -0.752 -1.254 1.00 0.00 C ATOM 1083 CG LEU A 67 7.002 -1.565 -2.235 1.00 0.00 C ATOM 1084 CD1 LEU A 67 5.847 -0.694 -2.742 1.00 0.00 C ATOM 1085 CD2 LEU A 67 7.855 -2.052 -3.432 1.00 0.00 C ATOM 0 H LEU A 67 7.275 -2.417 0.538 1.00 0.00 H new ATOM 0 HA LEU A 67 9.416 -2.259 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.234 -0.308 -0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.352 0.069 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 67 6.603 -2.436 -1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.235 -1.269 -3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.235 -0.374 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.248 0.182 -3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.229 -2.625 -4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.271 -1.192 -3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.666 -2.682 -3.068 1.00 0.00 H new ATOM 1097 N GLN A 68 9.791 -0.432 1.312 1.00 0.00 N ATOM 1098 CA GLN A 68 10.808 0.434 1.969 1.00 0.00 C ATOM 1099 C GLN A 68 12.104 -0.357 2.215 1.00 0.00 C ATOM 1100 O GLN A 68 13.185 0.135 1.952 1.00 0.00 O ATOM 1101 CB GLN A 68 10.251 0.971 3.292 1.00 0.00 C ATOM 1102 CG GLN A 68 9.044 1.868 3.005 1.00 0.00 C ATOM 1103 CD GLN A 68 8.447 2.366 4.321 1.00 0.00 C ATOM 1104 OE1 GLN A 68 7.415 1.755 4.824 1.00 0.00 O flip ATOM 1105 NE2 GLN A 68 8.930 3.319 4.899 1.00 0.00 N flip ATOM 0 H GLN A 68 8.994 -0.698 1.890 1.00 0.00 H new ATOM 0 HA GLN A 68 11.038 1.274 1.314 1.00 0.00 H new ATOM 0 HB2 GLN A 68 9.959 0.144 3.939 1.00 0.00 H new ATOM 0 HB3 GLN A 68 11.019 1.534 3.822 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.346 2.714 2.388 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.294 1.315 2.441 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.739 3.798 4.504 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.526 3.640 5.779 1.00 0.00 H new ATOM 1114 N LYS A 69 12.027 -1.566 2.721 1.00 0.00 N ATOM 1115 CA LYS A 69 13.285 -2.344 2.973 1.00 0.00 C ATOM 1116 C LYS A 69 13.790 -3.050 1.705 1.00 0.00 C ATOM 1117 O LYS A 69 14.897 -3.547 1.678 1.00 0.00 O ATOM 1118 CB LYS A 69 13.049 -3.385 4.077 1.00 0.00 C ATOM 1119 CG LYS A 69 12.072 -4.484 3.608 1.00 0.00 C ATOM 1120 CD LYS A 69 12.045 -5.632 4.633 1.00 0.00 C ATOM 1121 CE LYS A 69 11.135 -5.271 5.813 1.00 0.00 C ATOM 1122 NZ LYS A 69 11.179 -6.368 6.812 1.00 0.00 N ATOM 0 H LYS A 69 11.160 -2.043 2.968 1.00 0.00 H new ATOM 0 HA LYS A 69 14.048 -1.632 3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.999 -3.837 4.363 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.649 -2.894 4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.072 -4.067 3.489 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.378 -4.863 2.633 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.689 -6.545 4.157 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.055 -5.832 4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.461 -4.335 6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.113 -5.118 5.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.564 -6.130 7.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.849 -7.251 6.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.155 -6.492 7.148 1.00 0.00 H new ATOM 1136 N ASP A 70 12.994 -3.142 0.667 1.00 0.00 N ATOM 1137 CA ASP A 70 13.456 -3.867 -0.563 1.00 0.00 C ATOM 1138 C ASP A 70 14.042 -2.884 -1.569 1.00 0.00 C ATOM 1139 O ASP A 70 14.899 -3.228 -2.360 1.00 0.00 O ATOM 1140 CB ASP A 70 12.261 -4.578 -1.203 1.00 0.00 C ATOM 1141 CG ASP A 70 12.747 -5.616 -2.218 1.00 0.00 C ATOM 1142 OD1 ASP A 70 13.915 -5.960 -2.174 1.00 0.00 O ATOM 1143 OD2 ASP A 70 11.938 -6.052 -3.022 1.00 0.00 O ATOM 0 H ASP A 70 12.053 -2.751 0.616 1.00 0.00 H new ATOM 0 HA ASP A 70 14.222 -4.589 -0.281 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.662 -5.064 -0.433 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.616 -3.850 -1.696 1.00 0.00 H new ATOM 1148 N ILE A 71 13.578 -1.673 -1.559 1.00 0.00 N ATOM 1149 CA ILE A 71 14.093 -0.678 -2.529 1.00 0.00 C ATOM 1150 C ILE A 71 15.435 -0.142 -2.028 1.00 0.00 C ATOM 1151 O ILE A 71 15.506 0.807 -1.275 1.00 0.00 O ATOM 1152 CB ILE A 71 13.057 0.451 -2.652 1.00 0.00 C ATOM 1153 CG1 ILE A 71 11.697 -0.130 -3.110 1.00 0.00 C ATOM 1154 CG2 ILE A 71 13.542 1.508 -3.646 1.00 0.00 C ATOM 1155 CD1 ILE A 71 11.653 -0.318 -4.633 1.00 0.00 C ATOM 0 H ILE A 71 12.862 -1.328 -0.919 1.00 0.00 H new ATOM 0 HA ILE A 71 14.250 -1.127 -3.510 1.00 0.00 H new ATOM 0 HB ILE A 71 12.930 0.923 -1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 71 11.525 -1.087 -2.618 1.00 0.00 H new ATOM 0 HG13 ILE A 71 10.892 0.537 -2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.799 2.302 -3.724 1.00 0.00 H new ATOM 0 HG22 ILE A 71 14.486 1.927 -3.299 1.00 0.00 H new ATOM 0 HG23 ILE A 71 13.686 1.049 -4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.685 -0.727 -4.921 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.800 0.645 -5.123 1.00 0.00 H new ATOM 0 HD13 ILE A 71 12.443 -1.005 -4.938 1.00 0.00 H new ATOM 1167 N HIS A 72 16.502 -0.769 -2.444 1.00 0.00 N ATOM 1168 CA HIS A 72 17.865 -0.341 -2.008 1.00 0.00 C ATOM 1169 C HIS A 72 18.873 -0.702 -3.101 1.00 0.00 C ATOM 1170 O HIS A 72 19.586 0.142 -3.608 1.00 0.00 O ATOM 1171 CB HIS A 72 18.231 -1.076 -0.715 1.00 0.00 C ATOM 1172 CG HIS A 72 19.548 -0.574 -0.191 1.00 0.00 C ATOM 1173 ND1 HIS A 72 20.219 -1.211 0.841 1.00 0.00 N ATOM 1174 CD2 HIS A 72 20.330 0.501 -0.538 1.00 0.00 C ATOM 1175 CE1 HIS A 72 21.348 -0.522 1.078 1.00 0.00 C ATOM 1176 NE2 HIS A 72 21.467 0.531 0.264 1.00 0.00 N ATOM 0 H HIS A 72 16.488 -1.570 -3.075 1.00 0.00 H new ATOM 0 HA HIS A 72 17.881 0.735 -1.834 1.00 0.00 H new ATOM 0 HB2 HIS A 72 17.452 -0.924 0.032 1.00 0.00 H new ATOM 0 HB3 HIS A 72 18.290 -2.148 -0.901 1.00 0.00 H new ATOM 0 HD2 HIS A 72 20.098 1.214 -1.315 1.00 0.00 H new ATOM 0 HE1 HIS A 72 22.072 -0.787 1.835 1.00 0.00 H new ATOM 0 HE2 HIS A 72 22.227 1.210 0.236 1.00 0.00 H new ATOM 1184 N ASP A 73 18.930 -1.952 -3.473 1.00 0.00 N ATOM 1185 CA ASP A 73 19.881 -2.378 -4.540 1.00 0.00 C ATOM 1186 C ASP A 73 21.277 -1.831 -4.237 1.00 0.00 C ATOM 1187 O ASP A 73 22.026 -1.492 -5.132 1.00 0.00 O ATOM 1188 CB ASP A 73 19.402 -1.829 -5.883 1.00 0.00 C ATOM 1189 CG ASP A 73 18.033 -2.426 -6.214 1.00 0.00 C ATOM 1190 OD1 ASP A 73 17.830 -3.593 -5.916 1.00 0.00 O ATOM 1191 OD2 ASP A 73 17.207 -1.705 -6.751 1.00 0.00 O ATOM 0 H ASP A 73 18.357 -2.700 -3.082 1.00 0.00 H new ATOM 0 HA ASP A 73 19.923 -3.467 -4.577 1.00 0.00 H new ATOM 0 HB2 ASP A 73 19.337 -0.742 -5.842 1.00 0.00 H new ATOM 0 HB3 ASP A 73 20.118 -2.076 -6.666 1.00 0.00 H new TER 1196 ASP A 73