USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 595 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 65 LYS NZ :NH3+ -113:sc= 0.159 (180deg=0) USER MOD Set 1.2: A 66 ASN : amide:sc= 0.00434 K(o=0.16,f=-1.5!) USER MOD Single : A 4 THR OG1 : rot 73:sc= 1.27 USER MOD Single : A 5 GLN : amide:sc= -0.122 K(o=-0.12,f=-0.81) USER MOD Single : A 17 ASN : amide:sc= 0.0923 X(o=0.092,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= 1.71 (180deg=0.531) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc=0.000764 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -170:sc= -1.38! USER MOD Single : A 44 MET CE :methyl 144:sc= -5.36! (180deg=-9.32!) USER MOD Single : A 58 LYS NZ :NH3+ 175:sc=-0.00632 (180deg=-0.0914) USER MOD Single : A 68 LYS NZ :NH3+ 169:sc=-0.00208 (180deg=-0.143) USER MOD Single : A 69 THR OG1 : rot -81:sc= 1.67 USER MOD Single : A 74 THR OG1 : rot 42:sc= -0.218 USER MOD Single : A 75 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0812) USER MOD Single : A 76 TYR OH : rot -154:sc= 1.2 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= -0.0792 K(o=-0.079,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 40 N THR A 4 9.533 -8.728 -1.516 1.00 0.00 N ATOM 41 CA THR A 4 8.986 -8.830 -2.852 1.00 0.00 C ATOM 42 C THR A 4 7.475 -8.620 -2.795 1.00 0.00 C ATOM 43 O THR A 4 6.953 -8.147 -1.784 1.00 0.00 O ATOM 44 CB THR A 4 9.313 -10.187 -3.499 1.00 0.00 C ATOM 45 OG1 THR A 4 10.503 -10.730 -2.914 1.00 0.00 O ATOM 46 CG2 THR A 4 9.525 -10.016 -4.994 1.00 0.00 C ATOM 0 HA THR A 4 9.443 -8.058 -3.471 1.00 0.00 H new ATOM 0 HB THR A 4 8.478 -10.866 -3.328 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.308 -11.041 -2.005 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.756 -10.983 -5.442 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.619 -9.614 -5.446 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.353 -9.329 -5.168 1.00 0.00 H new ATOM 54 N GLN A 5 6.775 -8.973 -3.862 1.00 0.00 N ATOM 55 CA GLN A 5 5.356 -8.675 -3.965 1.00 0.00 C ATOM 56 C GLN A 5 4.553 -9.351 -2.857 1.00 0.00 C ATOM 57 O GLN A 5 3.863 -8.681 -2.101 1.00 0.00 O ATOM 58 CB GLN A 5 4.826 -9.108 -5.325 1.00 0.00 C ATOM 59 CG GLN A 5 3.502 -8.455 -5.689 1.00 0.00 C ATOM 60 CD GLN A 5 2.944 -8.960 -7.002 1.00 0.00 C ATOM 61 OE1 GLN A 5 3.286 -8.458 -8.069 1.00 0.00 O ATOM 62 NE2 GLN A 5 2.064 -9.942 -6.929 1.00 0.00 N ATOM 0 H GLN A 5 7.165 -9.465 -4.666 1.00 0.00 H new ATOM 0 HA GLN A 5 5.238 -7.597 -3.853 1.00 0.00 H new ATOM 0 HB2 GLN A 5 5.565 -8.866 -6.089 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.703 -10.191 -5.332 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.779 -8.642 -4.895 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.638 -7.375 -5.748 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.808 -10.331 -6.021 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.641 -10.312 -7.780 1.00 0.00 H new ATOM 71 N GLU A 6 4.671 -10.670 -2.740 1.00 0.00 N ATOM 72 CA GLU A 6 3.836 -11.430 -1.809 1.00 0.00 C ATOM 73 C GLU A 6 4.098 -11.022 -0.358 1.00 0.00 C ATOM 74 O GLU A 6 3.171 -10.942 0.448 1.00 0.00 O ATOM 75 CB GLU A 6 4.052 -12.937 -1.989 1.00 0.00 C ATOM 76 CG GLU A 6 5.490 -13.385 -1.813 1.00 0.00 C ATOM 77 CD GLU A 6 5.665 -14.863 -2.080 1.00 0.00 C ATOM 78 OE1 GLU A 6 5.145 -15.346 -3.104 1.00 0.00 O ATOM 79 OE2 GLU A 6 6.305 -15.552 -1.258 1.00 0.00 O ATOM 0 H GLU A 6 5.332 -11.234 -3.274 1.00 0.00 H new ATOM 0 HA GLU A 6 2.796 -11.198 -2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.427 -13.470 -1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.713 -13.225 -2.984 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.131 -12.817 -2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.817 -13.160 -0.798 1.00 0.00 H new ATOM 86 N GLU A 7 5.355 -10.757 -0.033 1.00 0.00 N ATOM 87 CA GLU A 7 5.719 -10.347 1.315 1.00 0.00 C ATOM 88 C GLU A 7 5.166 -8.960 1.628 1.00 0.00 C ATOM 89 O GLU A 7 4.508 -8.756 2.652 1.00 0.00 O ATOM 90 CB GLU A 7 7.237 -10.334 1.480 1.00 0.00 C ATOM 91 CG GLU A 7 7.928 -11.619 1.060 1.00 0.00 C ATOM 92 CD GLU A 7 8.458 -11.543 -0.354 1.00 0.00 C ATOM 93 OE1 GLU A 7 7.654 -11.386 -1.290 1.00 0.00 O ATOM 94 OE2 GLU A 7 9.694 -11.624 -0.531 1.00 0.00 O ATOM 0 H GLU A 7 6.139 -10.818 -0.683 1.00 0.00 H new ATOM 0 HA GLU A 7 5.287 -11.067 2.010 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.646 -9.509 0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.474 -10.134 2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.750 -11.828 1.744 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.227 -12.450 1.140 1.00 0.00 H new ATOM 101 N ILE A 8 5.437 -8.012 0.738 1.00 0.00 N ATOM 102 CA ILE A 8 5.007 -6.633 0.932 1.00 0.00 C ATOM 103 C ILE A 8 3.479 -6.551 0.878 1.00 0.00 C ATOM 104 O ILE A 8 2.870 -5.752 1.580 1.00 0.00 O ATOM 105 CB ILE A 8 5.662 -5.695 -0.124 1.00 0.00 C ATOM 106 CG1 ILE A 8 5.823 -4.261 0.410 1.00 0.00 C ATOM 107 CG2 ILE A 8 4.876 -5.689 -1.426 1.00 0.00 C ATOM 108 CD1 ILE A 8 4.542 -3.455 0.497 1.00 0.00 C ATOM 0 H ILE A 8 5.954 -8.174 -0.126 1.00 0.00 H new ATOM 0 HA ILE A 8 5.335 -6.296 1.915 1.00 0.00 H new ATOM 0 HB ILE A 8 6.656 -6.093 -0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.271 -4.309 1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.525 -3.729 -0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 8 5.361 -5.024 -2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 8 4.842 -6.699 -1.835 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.861 -5.340 -1.237 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.763 -2.461 0.884 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.099 -3.368 -0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.841 -3.957 1.164 1.00 0.00 H new ATOM 120 N VAL A 9 2.871 -7.416 0.067 1.00 0.00 N ATOM 121 CA VAL A 9 1.419 -7.490 -0.041 1.00 0.00 C ATOM 122 C VAL A 9 0.794 -7.876 1.297 1.00 0.00 C ATOM 123 O VAL A 9 -0.203 -7.291 1.703 1.00 0.00 O ATOM 124 CB VAL A 9 0.984 -8.486 -1.146 1.00 0.00 C ATOM 125 CG1 VAL A 9 -0.409 -9.053 -0.884 1.00 0.00 C ATOM 126 CG2 VAL A 9 1.008 -7.804 -2.507 1.00 0.00 C ATOM 0 H VAL A 9 3.368 -8.079 -0.528 1.00 0.00 H new ATOM 0 HA VAL A 9 1.060 -6.499 -0.320 1.00 0.00 H new ATOM 0 HB VAL A 9 1.693 -9.314 -1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.676 -9.746 -1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.414 -9.579 0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.133 -8.239 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.701 -8.514 -3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.323 -6.956 -2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.018 -7.453 -2.720 1.00 0.00 H new ATOM 136 N ALA A 10 1.394 -8.842 1.987 1.00 0.00 N ATOM 137 CA ALA A 10 0.906 -9.251 3.300 1.00 0.00 C ATOM 138 C ALA A 10 0.983 -8.090 4.284 1.00 0.00 C ATOM 139 O ALA A 10 0.052 -7.852 5.055 1.00 0.00 O ATOM 140 CB ALA A 10 1.698 -10.439 3.827 1.00 0.00 C ATOM 0 H ALA A 10 2.214 -9.353 1.661 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.136 -9.552 3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.316 -10.725 4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.597 -11.278 3.139 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.750 -10.166 3.914 1.00 0.00 H new ATOM 146 N GLY A 11 2.100 -7.366 4.246 1.00 0.00 N ATOM 147 CA GLY A 11 2.269 -6.211 5.105 1.00 0.00 C ATOM 148 C GLY A 11 1.296 -5.105 4.754 1.00 0.00 C ATOM 149 O GLY A 11 0.614 -4.569 5.624 1.00 0.00 O ATOM 0 H GLY A 11 2.891 -7.562 3.633 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.125 -6.506 6.144 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.290 -5.839 5.018 1.00 0.00 H new ATOM 153 N LEU A 12 1.226 -4.783 3.467 1.00 0.00 N ATOM 154 CA LEU A 12 0.315 -3.757 2.964 1.00 0.00 C ATOM 155 C LEU A 12 -1.127 -4.132 3.316 1.00 0.00 C ATOM 156 O LEU A 12 -1.911 -3.293 3.749 1.00 0.00 O ATOM 157 CB LEU A 12 0.486 -3.623 1.438 1.00 0.00 C ATOM 158 CG LEU A 12 0.461 -2.192 0.862 1.00 0.00 C ATOM 159 CD1 LEU A 12 -0.862 -1.506 1.156 1.00 0.00 C ATOM 160 CD2 LEU A 12 1.625 -1.366 1.407 1.00 0.00 C ATOM 0 H LEU A 12 1.796 -5.223 2.744 1.00 0.00 H new ATOM 0 HA LEU A 12 0.546 -2.798 3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.433 -4.086 1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.304 -4.198 0.955 1.00 0.00 H new ATOM 0 HG LEU A 12 0.570 -2.268 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.851 -0.499 0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.675 -2.076 0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.011 -1.450 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.586 -0.361 0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.553 -1.308 2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.567 -1.839 1.131 1.00 0.00 H new ATOM 172 N ALA A 13 -1.450 -5.410 3.149 1.00 0.00 N ATOM 173 CA ALA A 13 -2.774 -5.940 3.468 1.00 0.00 C ATOM 174 C ALA A 13 -3.122 -5.709 4.927 1.00 0.00 C ATOM 175 O ALA A 13 -4.145 -5.105 5.236 1.00 0.00 O ATOM 176 CB ALA A 13 -2.832 -7.427 3.163 1.00 0.00 C ATOM 0 H ALA A 13 -0.801 -6.110 2.788 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.501 -5.412 2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.824 -7.810 3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.629 -7.590 2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.085 -7.950 3.760 1.00 0.00 H new ATOM 182 N GLU A 14 -2.261 -6.210 5.809 1.00 0.00 N ATOM 183 CA GLU A 14 -2.409 -6.028 7.254 1.00 0.00 C ATOM 184 C GLU A 14 -2.640 -4.553 7.575 1.00 0.00 C ATOM 185 O GLU A 14 -3.519 -4.188 8.358 1.00 0.00 O ATOM 186 CB GLU A 14 -1.133 -6.522 7.947 1.00 0.00 C ATOM 187 CG GLU A 14 -1.178 -6.465 9.466 1.00 0.00 C ATOM 188 CD GLU A 14 -2.200 -7.408 10.060 1.00 0.00 C ATOM 189 OE1 GLU A 14 -1.941 -8.632 10.091 1.00 0.00 O ATOM 190 OE2 GLU A 14 -3.261 -6.934 10.513 1.00 0.00 O ATOM 0 H GLU A 14 -1.440 -6.754 5.544 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.267 -6.598 7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.943 -7.550 7.640 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.291 -5.924 7.598 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.192 -6.708 9.863 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.405 -5.446 9.780 1.00 0.00 H new ATOM 197 N ILE A 15 -1.847 -3.720 6.927 1.00 0.00 N ATOM 198 CA ILE A 15 -1.914 -2.280 7.076 1.00 0.00 C ATOM 199 C ILE A 15 -3.279 -1.716 6.659 1.00 0.00 C ATOM 200 O ILE A 15 -3.932 -1.021 7.436 1.00 0.00 O ATOM 201 CB ILE A 15 -0.792 -1.638 6.244 1.00 0.00 C ATOM 202 CG1 ILE A 15 0.564 -1.824 6.941 1.00 0.00 C ATOM 203 CG2 ILE A 15 -1.075 -0.178 5.963 1.00 0.00 C ATOM 204 CD1 ILE A 15 0.703 -1.102 8.266 1.00 0.00 C ATOM 0 H ILE A 15 -1.128 -4.030 6.273 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.783 -2.040 8.131 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.752 -2.145 5.280 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.729 -2.889 7.105 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.351 -1.479 6.271 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.261 0.243 5.373 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.009 -0.089 5.409 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.159 0.364 6.905 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.692 -1.292 8.682 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.574 -0.031 8.112 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.057 -1.463 8.959 1.00 0.00 H new ATOM 216 N VAL A 16 -3.718 -2.017 5.440 1.00 0.00 N ATOM 217 CA VAL A 16 -4.990 -1.488 4.946 1.00 0.00 C ATOM 218 C VAL A 16 -6.159 -2.117 5.695 1.00 0.00 C ATOM 219 O VAL A 16 -7.243 -1.540 5.779 1.00 0.00 O ATOM 220 CB VAL A 16 -5.177 -1.726 3.430 1.00 0.00 C ATOM 221 CG1 VAL A 16 -6.380 -0.952 2.911 1.00 0.00 C ATOM 222 CG2 VAL A 16 -3.930 -1.330 2.666 1.00 0.00 C ATOM 0 H VAL A 16 -3.221 -2.617 4.782 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.968 -0.412 5.122 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.354 -2.790 3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.495 -1.132 1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.278 -1.282 3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.230 0.113 3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.084 -1.506 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.721 -0.273 2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.086 -1.926 3.014 1.00 0.00 H new ATOM 232 N ASN A 17 -5.932 -3.300 6.241 1.00 0.00 N ATOM 233 CA ASN A 17 -6.942 -3.990 7.030 1.00 0.00 C ATOM 234 C ASN A 17 -7.274 -3.172 8.278 1.00 0.00 C ATOM 235 O ASN A 17 -8.387 -3.240 8.798 1.00 0.00 O ATOM 236 CB ASN A 17 -6.441 -5.387 7.413 1.00 0.00 C ATOM 237 CG ASN A 17 -7.544 -6.292 7.924 1.00 0.00 C ATOM 238 OD1 ASN A 17 -7.847 -6.311 9.116 1.00 0.00 O ATOM 239 ND2 ASN A 17 -8.144 -7.063 7.025 1.00 0.00 N ATOM 0 H ASN A 17 -5.051 -3.806 6.152 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.850 -4.100 6.438 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.972 -5.850 6.545 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.671 -5.294 8.179 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.886 -7.701 7.314 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.863 -7.017 6.045 1.00 0.00 H new ATOM 246 N GLU A 18 -6.303 -2.376 8.727 1.00 0.00 N ATOM 247 CA GLU A 18 -6.508 -1.470 9.853 1.00 0.00 C ATOM 248 C GLU A 18 -7.369 -0.288 9.418 1.00 0.00 C ATOM 249 O GLU A 18 -8.135 0.271 10.205 1.00 0.00 O ATOM 250 CB GLU A 18 -5.163 -0.950 10.377 1.00 0.00 C ATOM 251 CG GLU A 18 -5.249 -0.373 11.780 1.00 0.00 C ATOM 252 CD GLU A 18 -3.905 0.075 12.310 1.00 0.00 C ATOM 253 OE1 GLU A 18 -3.070 -0.794 12.635 1.00 0.00 O ATOM 254 OE2 GLU A 18 -3.682 1.302 12.413 1.00 0.00 O ATOM 0 H GLU A 18 -5.366 -2.342 8.326 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.012 -2.019 10.649 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.438 -1.764 10.370 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.788 -0.184 9.699 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.935 0.474 11.779 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.668 -1.122 12.452 1.00 0.00 H new ATOM 261 N ILE A 19 -7.247 0.075 8.146 1.00 0.00 N ATOM 262 CA ILE A 19 -7.918 1.251 7.614 1.00 0.00 C ATOM 263 C ILE A 19 -9.347 0.933 7.201 1.00 0.00 C ATOM 264 O ILE A 19 -10.295 1.574 7.654 1.00 0.00 O ATOM 265 CB ILE A 19 -7.178 1.811 6.379 1.00 0.00 C ATOM 266 CG1 ILE A 19 -5.694 2.008 6.682 1.00 0.00 C ATOM 267 CG2 ILE A 19 -7.815 3.117 5.931 1.00 0.00 C ATOM 268 CD1 ILE A 19 -4.886 2.513 5.503 1.00 0.00 C ATOM 0 H ILE A 19 -6.686 -0.433 7.462 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.919 1.993 8.413 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.263 1.089 5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.593 2.713 7.507 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.273 1.060 7.018 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.284 3.501 5.060 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.859 2.942 5.671 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.759 3.845 6.740 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.843 2.627 5.799 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.955 1.799 4.682 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.279 3.477 5.179 1.00 0.00 H new ATOM 280 N ALA A 20 -9.501 -0.075 6.358 1.00 0.00 N ATOM 281 CA ALA A 20 -10.791 -0.360 5.761 1.00 0.00 C ATOM 282 C ALA A 20 -11.247 -1.782 6.059 1.00 0.00 C ATOM 283 O ALA A 20 -11.996 -2.001 7.011 1.00 0.00 O ATOM 284 CB ALA A 20 -10.742 -0.100 4.269 1.00 0.00 C ATOM 0 H ALA A 20 -8.751 -0.706 6.074 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.527 0.309 6.207 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.716 -0.317 3.830 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.488 0.945 4.090 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.987 -0.740 3.813 1.00 0.00 H new ATOM 290 N GLY A 21 -10.806 -2.747 5.255 1.00 0.00 N ATOM 291 CA GLY A 21 -11.144 -4.125 5.545 1.00 0.00 C ATOM 292 C GLY A 21 -11.092 -5.055 4.342 1.00 0.00 C ATOM 293 O GLY A 21 -11.985 -5.879 4.169 1.00 0.00 O ATOM 0 H GLY A 21 -10.232 -2.602 4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -10.462 -4.500 6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -12.147 -4.158 5.970 1.00 0.00 H new ATOM 297 N ILE A 22 -10.063 -4.944 3.507 1.00 0.00 N ATOM 298 CA ILE A 22 -9.817 -5.978 2.503 1.00 0.00 C ATOM 299 C ILE A 22 -9.049 -7.121 3.158 1.00 0.00 C ATOM 300 O ILE A 22 -8.030 -6.889 3.817 1.00 0.00 O ATOM 301 CB ILE A 22 -9.015 -5.468 1.269 1.00 0.00 C ATOM 302 CG1 ILE A 22 -9.880 -4.592 0.354 1.00 0.00 C ATOM 303 CG2 ILE A 22 -8.447 -6.635 0.471 1.00 0.00 C ATOM 304 CD1 ILE A 22 -11.062 -5.317 -0.260 1.00 0.00 C ATOM 0 H ILE A 22 -9.400 -4.169 3.502 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.789 -6.304 2.133 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.194 -4.861 1.650 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -10.247 -3.740 0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.256 -4.194 -0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.891 -6.254 -0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.780 -7.219 1.105 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.263 -7.268 0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.622 -4.629 -0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.704 -6.153 -0.861 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.711 -5.691 0.532 1.00 0.00 H new ATOM 316 N PRO A 23 -9.551 -8.360 3.041 1.00 0.00 N ATOM 317 CA PRO A 23 -8.855 -9.536 3.561 1.00 0.00 C ATOM 318 C PRO A 23 -7.446 -9.655 2.980 1.00 0.00 C ATOM 319 O PRO A 23 -7.216 -9.307 1.821 1.00 0.00 O ATOM 320 CB PRO A 23 -9.732 -10.717 3.126 1.00 0.00 C ATOM 321 CG PRO A 23 -10.676 -10.171 2.107 1.00 0.00 C ATOM 322 CD PRO A 23 -10.834 -8.710 2.412 1.00 0.00 C ATOM 0 HA PRO A 23 -8.721 -9.490 4.642 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -9.126 -11.520 2.707 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.273 -11.136 3.975 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -10.286 -10.317 1.100 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.637 -10.683 2.154 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.013 -8.127 1.509 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.674 -8.526 3.081 1.00 0.00 H new ATOM 330 N VAL A 24 -6.512 -10.151 3.785 1.00 0.00 N ATOM 331 CA VAL A 24 -5.097 -10.185 3.402 1.00 0.00 C ATOM 332 C VAL A 24 -4.868 -10.936 2.090 1.00 0.00 C ATOM 333 O VAL A 24 -3.982 -10.587 1.312 1.00 0.00 O ATOM 334 CB VAL A 24 -4.216 -10.805 4.514 1.00 0.00 C ATOM 335 CG1 VAL A 24 -4.212 -9.914 5.745 1.00 0.00 C ATOM 336 CG2 VAL A 24 -4.698 -12.203 4.872 1.00 0.00 C ATOM 0 H VAL A 24 -6.706 -10.537 4.709 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.802 -9.146 3.257 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.197 -10.883 4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -3.588 -10.364 6.518 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.815 -8.933 5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.230 -9.805 6.119 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.063 -12.617 5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.727 -12.153 5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.649 -12.842 3.990 1.00 0.00 H new ATOM 346 N GLU A 25 -5.678 -11.948 1.844 1.00 0.00 N ATOM 347 CA GLU A 25 -5.532 -12.775 0.654 1.00 0.00 C ATOM 348 C GLU A 25 -6.163 -12.113 -0.571 1.00 0.00 C ATOM 349 O GLU A 25 -5.880 -12.492 -1.706 1.00 0.00 O ATOM 350 CB GLU A 25 -6.148 -14.144 0.912 1.00 0.00 C ATOM 351 CG GLU A 25 -5.530 -14.830 2.113 1.00 0.00 C ATOM 352 CD GLU A 25 -6.103 -16.200 2.371 1.00 0.00 C ATOM 353 OE1 GLU A 25 -7.184 -16.286 2.991 1.00 0.00 O ATOM 354 OE2 GLU A 25 -5.463 -17.194 1.975 1.00 0.00 O ATOM 0 H GLU A 25 -6.449 -12.221 2.454 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.470 -12.893 0.440 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.221 -14.034 1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.018 -14.771 0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.454 -14.915 1.961 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.679 -14.208 2.996 1.00 0.00 H new ATOM 361 N ASP A 26 -7.020 -11.125 -0.334 1.00 0.00 N ATOM 362 CA ASP A 26 -7.734 -10.453 -1.417 1.00 0.00 C ATOM 363 C ASP A 26 -6.906 -9.300 -1.972 1.00 0.00 C ATOM 364 O ASP A 26 -7.210 -8.763 -3.038 1.00 0.00 O ATOM 365 CB ASP A 26 -9.078 -9.924 -0.915 1.00 0.00 C ATOM 366 CG ASP A 26 -10.062 -9.660 -2.035 1.00 0.00 C ATOM 367 OD1 ASP A 26 -10.193 -10.513 -2.938 1.00 0.00 O ATOM 368 OD2 ASP A 26 -10.712 -8.594 -2.023 1.00 0.00 O ATOM 0 H ASP A 26 -7.238 -10.771 0.598 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.907 -11.178 -2.213 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -9.510 -10.645 -0.221 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.914 -9.002 -0.357 1.00 0.00 H new ATOM 373 N VAL A 27 -5.867 -8.914 -1.238 1.00 0.00 N ATOM 374 CA VAL A 27 -5.008 -7.810 -1.645 1.00 0.00 C ATOM 375 C VAL A 27 -4.182 -8.200 -2.863 1.00 0.00 C ATOM 376 O VAL A 27 -3.435 -9.178 -2.843 1.00 0.00 O ATOM 377 CB VAL A 27 -4.089 -7.340 -0.500 1.00 0.00 C ATOM 378 CG1 VAL A 27 -3.165 -6.219 -0.962 1.00 0.00 C ATOM 379 CG2 VAL A 27 -4.930 -6.879 0.677 1.00 0.00 C ATOM 0 H VAL A 27 -5.600 -9.351 -0.356 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.656 -6.973 -1.907 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.467 -8.180 -0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.528 -5.908 -0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.543 -6.575 -1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.762 -5.372 -1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.276 -6.548 1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.569 -6.053 0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.549 -7.705 1.028 1.00 0.00 H new ATOM 389 N LYS A 28 -4.327 -7.415 -3.916 1.00 0.00 N ATOM 390 CA LYS A 28 -3.765 -7.733 -5.212 1.00 0.00 C ATOM 391 C LYS A 28 -3.354 -6.440 -5.879 1.00 0.00 C ATOM 392 O LYS A 28 -3.802 -5.372 -5.473 1.00 0.00 O ATOM 393 CB LYS A 28 -4.805 -8.446 -6.083 1.00 0.00 C ATOM 394 CG LYS A 28 -5.260 -9.791 -5.536 1.00 0.00 C ATOM 395 CD LYS A 28 -6.469 -10.316 -6.288 1.00 0.00 C ATOM 396 CE LYS A 28 -6.127 -10.655 -7.733 1.00 0.00 C ATOM 397 NZ LYS A 28 -7.320 -11.091 -8.505 1.00 0.00 N ATOM 0 H LYS A 28 -4.841 -6.534 -3.893 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.906 -8.392 -5.088 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.675 -7.799 -6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.388 -8.594 -7.079 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.444 -10.510 -5.609 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.503 -9.692 -4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.853 -11.204 -5.786 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.263 -9.570 -6.267 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.684 -9.783 -8.214 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.376 -11.445 -7.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.040 -11.311 -9.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.729 -11.939 -8.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.027 -10.328 -8.511 1.00 0.00 H new ATOM 411 N LEU A 29 -2.542 -6.526 -6.909 1.00 0.00 N ATOM 412 CA LEU A 29 -2.111 -5.337 -7.633 1.00 0.00 C ATOM 413 C LEU A 29 -3.212 -4.865 -8.572 1.00 0.00 C ATOM 414 O LEU A 29 -3.088 -3.837 -9.238 1.00 0.00 O ATOM 415 CB LEU A 29 -0.819 -5.616 -8.413 1.00 0.00 C ATOM 416 CG LEU A 29 0.480 -5.487 -7.608 1.00 0.00 C ATOM 417 CD1 LEU A 29 0.445 -6.346 -6.349 1.00 0.00 C ATOM 418 CD2 LEU A 29 1.672 -5.850 -8.478 1.00 0.00 C ATOM 0 H LEU A 29 -2.164 -7.402 -7.269 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.907 -4.547 -6.911 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.873 -6.625 -8.823 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.771 -4.931 -9.259 1.00 0.00 H new ATOM 0 HG LEU A 29 0.580 -4.449 -7.290 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.381 -6.230 -5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.385 -6.031 -5.717 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.314 -7.392 -6.626 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.589 -5.755 -7.897 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.568 -6.877 -8.827 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.715 -5.178 -9.335 1.00 0.00 H new ATOM 430 N ASP A 30 -4.294 -5.623 -8.602 1.00 0.00 N ATOM 431 CA ASP A 30 -5.380 -5.379 -9.533 1.00 0.00 C ATOM 432 C ASP A 30 -6.483 -4.528 -8.913 1.00 0.00 C ATOM 433 O ASP A 30 -7.214 -3.840 -9.629 1.00 0.00 O ATOM 434 CB ASP A 30 -5.988 -6.709 -9.988 1.00 0.00 C ATOM 435 CG ASP A 30 -4.947 -7.755 -10.333 1.00 0.00 C ATOM 436 OD1 ASP A 30 -4.383 -8.371 -9.402 1.00 0.00 O ATOM 437 OD2 ASP A 30 -4.714 -7.994 -11.535 1.00 0.00 O ATOM 0 H ASP A 30 -4.444 -6.421 -7.985 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.960 -4.839 -10.381 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.633 -7.095 -9.199 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.619 -6.533 -10.859 1.00 0.00 H new ATOM 442 N LYS A 31 -6.613 -4.562 -7.590 1.00 0.00 N ATOM 443 CA LYS A 31 -7.769 -3.955 -6.952 1.00 0.00 C ATOM 444 C LYS A 31 -7.487 -2.503 -6.588 1.00 0.00 C ATOM 445 O LYS A 31 -6.374 -2.145 -6.194 1.00 0.00 O ATOM 446 CB LYS A 31 -8.218 -4.783 -5.744 1.00 0.00 C ATOM 447 CG LYS A 31 -7.477 -4.514 -4.450 1.00 0.00 C ATOM 448 CD LYS A 31 -7.512 -5.715 -3.558 1.00 0.00 C ATOM 449 CE LYS A 31 -8.939 -6.063 -3.220 1.00 0.00 C ATOM 450 NZ LYS A 31 -9.365 -7.334 -3.856 1.00 0.00 N ATOM 0 H LYS A 31 -5.945 -4.995 -6.952 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.597 -3.949 -7.661 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.280 -4.602 -5.577 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.110 -5.839 -5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.443 -4.246 -4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.926 -3.662 -3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.030 -6.559 -4.051 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.951 -5.517 -2.645 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.046 -6.145 -2.138 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.596 -5.256 -3.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.260 -7.651 -3.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.499 -7.184 -4.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.635 -8.059 -3.706 1.00 0.00 H new ATOM 464 N SER A 32 -8.497 -1.671 -6.741 1.00 0.00 N ATOM 465 CA SER A 32 -8.339 -0.238 -6.593 1.00 0.00 C ATOM 466 C SER A 32 -8.405 0.171 -5.126 1.00 0.00 C ATOM 467 O SER A 32 -9.257 -0.300 -4.381 1.00 0.00 O ATOM 468 CB SER A 32 -9.430 0.480 -7.388 1.00 0.00 C ATOM 469 OG SER A 32 -9.610 -0.119 -8.660 1.00 0.00 O ATOM 0 H SER A 32 -9.446 -1.967 -6.970 1.00 0.00 H new ATOM 0 HA SER A 32 -7.360 0.046 -6.978 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.368 0.452 -6.833 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.164 1.530 -7.511 1.00 0.00 H new ATOM 0 HG SER A 32 -10.314 0.356 -9.149 1.00 0.00 H new ATOM 475 N PHE A 33 -7.505 1.056 -4.722 1.00 0.00 N ATOM 476 CA PHE A 33 -7.457 1.539 -3.350 1.00 0.00 C ATOM 477 C PHE A 33 -8.723 2.319 -3.025 1.00 0.00 C ATOM 478 O PHE A 33 -9.322 2.152 -1.965 1.00 0.00 O ATOM 479 CB PHE A 33 -6.230 2.430 -3.146 1.00 0.00 C ATOM 480 CG PHE A 33 -5.305 1.959 -2.056 1.00 0.00 C ATOM 481 CD1 PHE A 33 -5.779 1.722 -0.777 1.00 0.00 C ATOM 482 CD2 PHE A 33 -3.961 1.748 -2.315 1.00 0.00 C ATOM 483 CE1 PHE A 33 -4.931 1.292 0.224 1.00 0.00 C ATOM 484 CE2 PHE A 33 -3.106 1.318 -1.318 1.00 0.00 C ATOM 485 CZ PHE A 33 -3.594 1.087 -0.048 1.00 0.00 C ATOM 0 H PHE A 33 -6.792 1.457 -5.331 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.386 0.682 -2.680 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -5.674 2.484 -4.082 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.563 3.442 -2.914 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.826 1.875 -0.560 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.576 1.922 -3.309 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.314 1.116 1.219 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.059 1.163 -1.532 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.930 0.746 0.732 1.00 0.00 H new ATOM 495 N THR A 34 -9.133 3.155 -3.960 1.00 0.00 N ATOM 496 CA THR A 34 -10.308 3.987 -3.785 1.00 0.00 C ATOM 497 C THR A 34 -11.599 3.166 -3.868 1.00 0.00 C ATOM 498 O THR A 34 -12.544 3.394 -3.112 1.00 0.00 O ATOM 499 CB THR A 34 -10.327 5.095 -4.855 1.00 0.00 C ATOM 500 OG1 THR A 34 -10.188 4.509 -6.157 1.00 0.00 O ATOM 501 CG2 THR A 34 -9.197 6.092 -4.633 1.00 0.00 C ATOM 0 H THR A 34 -8.664 3.276 -4.858 1.00 0.00 H new ATOM 0 HA THR A 34 -10.257 4.433 -2.792 1.00 0.00 H new ATOM 0 HB THR A 34 -11.277 5.623 -4.780 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.202 5.215 -6.837 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.235 6.863 -5.403 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.307 6.554 -3.652 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.239 5.574 -4.685 1.00 0.00 H new ATOM 509 N ASP A 35 -11.622 2.201 -4.779 1.00 0.00 N ATOM 510 CA ASP A 35 -12.840 1.437 -5.058 1.00 0.00 C ATOM 511 C ASP A 35 -12.924 0.171 -4.211 1.00 0.00 C ATOM 512 O ASP A 35 -13.846 0.005 -3.412 1.00 0.00 O ATOM 513 CB ASP A 35 -12.914 1.079 -6.546 1.00 0.00 C ATOM 514 CG ASP A 35 -14.201 0.366 -6.918 1.00 0.00 C ATOM 515 OD1 ASP A 35 -14.233 -0.877 -6.873 1.00 0.00 O ATOM 516 OD2 ASP A 35 -15.179 1.047 -7.293 1.00 0.00 O ATOM 0 H ASP A 35 -10.815 1.926 -5.338 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.689 2.068 -4.795 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.825 1.989 -7.139 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.066 0.446 -6.805 1.00 0.00 H new ATOM 521 N ASP A 36 -11.945 -0.708 -4.377 1.00 0.00 N ATOM 522 CA ASP A 36 -11.973 -2.026 -3.752 1.00 0.00 C ATOM 523 C ASP A 36 -11.546 -1.954 -2.295 1.00 0.00 C ATOM 524 O ASP A 36 -12.229 -2.475 -1.415 1.00 0.00 O ATOM 525 CB ASP A 36 -11.061 -2.999 -4.503 1.00 0.00 C ATOM 526 CG ASP A 36 -11.473 -3.211 -5.946 1.00 0.00 C ATOM 527 OD1 ASP A 36 -11.084 -2.394 -6.805 1.00 0.00 O ATOM 528 OD2 ASP A 36 -12.175 -4.204 -6.228 1.00 0.00 O ATOM 0 H ASP A 36 -11.115 -0.531 -4.943 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.000 -2.387 -3.797 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.038 -2.623 -4.475 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.062 -3.959 -3.987 1.00 0.00 H new ATOM 533 N LEU A 37 -10.413 -1.307 -2.042 1.00 0.00 N ATOM 534 CA LEU A 37 -9.920 -1.150 -0.676 1.00 0.00 C ATOM 535 C LEU A 37 -10.874 -0.260 0.113 1.00 0.00 C ATOM 536 O LEU A 37 -10.991 -0.396 1.327 1.00 0.00 O ATOM 537 CB LEU A 37 -8.503 -0.539 -0.643 1.00 0.00 C ATOM 538 CG LEU A 37 -7.328 -1.450 -1.064 1.00 0.00 C ATOM 539 CD1 LEU A 37 -7.187 -2.644 -0.140 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.492 -1.928 -2.489 1.00 0.00 C ATOM 0 H LEU A 37 -9.822 -0.885 -2.758 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.869 -2.141 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.499 0.338 -1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.311 -0.188 0.371 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.421 -0.849 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.351 -3.261 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.005 -2.297 0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.104 -3.233 -0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.651 -2.567 -2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.420 -2.493 -2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.524 -1.069 -3.159 1.00 0.00 H new ATOM 552 N ASP A 38 -11.559 0.636 -0.604 1.00 0.00 N ATOM 553 CA ASP A 38 -12.476 1.603 0.000 1.00 0.00 C ATOM 554 C ASP A 38 -11.720 2.491 0.981 1.00 0.00 C ATOM 555 O ASP A 38 -11.893 2.406 2.199 1.00 0.00 O ATOM 556 CB ASP A 38 -13.659 0.896 0.680 1.00 0.00 C ATOM 557 CG ASP A 38 -14.695 1.859 1.235 1.00 0.00 C ATOM 558 OD1 ASP A 38 -14.853 2.963 0.682 1.00 0.00 O ATOM 559 OD2 ASP A 38 -15.388 1.493 2.215 1.00 0.00 O ATOM 0 H ASP A 38 -11.492 0.710 -1.619 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.889 2.233 -0.788 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -14.139 0.232 -0.039 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -13.283 0.271 1.490 1.00 0.00 H new ATOM 564 N VAL A 39 -10.843 3.314 0.432 1.00 0.00 N ATOM 565 CA VAL A 39 -9.977 4.147 1.236 1.00 0.00 C ATOM 566 C VAL A 39 -10.067 5.605 0.792 1.00 0.00 C ATOM 567 O VAL A 39 -10.435 5.892 -0.349 1.00 0.00 O ATOM 568 CB VAL A 39 -8.518 3.649 1.128 1.00 0.00 C ATOM 569 CG1 VAL A 39 -7.788 4.308 -0.034 1.00 0.00 C ATOM 570 CG2 VAL A 39 -7.779 3.848 2.438 1.00 0.00 C ATOM 0 H VAL A 39 -10.715 3.421 -0.574 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.301 4.083 2.275 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.545 2.579 0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.765 3.934 -0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.302 4.074 -0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.774 5.388 0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.755 3.490 2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.769 4.908 2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.282 3.290 3.228 1.00 0.00 H new ATOM 580 N ASP A 40 -9.755 6.518 1.699 1.00 0.00 N ATOM 581 CA ASP A 40 -9.672 7.930 1.356 1.00 0.00 C ATOM 582 C ASP A 40 -8.215 8.351 1.253 1.00 0.00 C ATOM 583 O ASP A 40 -7.319 7.605 1.662 1.00 0.00 O ATOM 584 CB ASP A 40 -10.389 8.800 2.391 1.00 0.00 C ATOM 585 CG ASP A 40 -11.881 8.546 2.436 1.00 0.00 C ATOM 586 OD1 ASP A 40 -12.578 8.880 1.454 1.00 0.00 O ATOM 587 OD2 ASP A 40 -12.365 8.022 3.457 1.00 0.00 O ATOM 0 H ASP A 40 -9.555 6.307 2.677 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.165 8.072 0.394 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.963 8.611 3.376 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.210 9.851 2.163 1.00 0.00 H new ATOM 592 N SER A 41 -7.992 9.543 0.711 1.00 0.00 N ATOM 593 CA SER A 41 -6.652 10.087 0.524 1.00 0.00 C ATOM 594 C SER A 41 -5.824 9.983 1.806 1.00 0.00 C ATOM 595 O SER A 41 -4.760 9.359 1.820 1.00 0.00 O ATOM 596 CB SER A 41 -6.746 11.548 0.072 1.00 0.00 C ATOM 597 OG SER A 41 -5.467 12.095 -0.194 1.00 0.00 O ATOM 0 H SER A 41 -8.737 10.161 0.388 1.00 0.00 H new ATOM 0 HA SER A 41 -6.149 9.500 -0.245 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.364 11.613 -0.824 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.241 12.137 0.844 1.00 0.00 H new ATOM 0 HG SER A 41 -5.563 13.027 -0.481 1.00 0.00 H new ATOM 603 N LEU A 42 -6.321 10.573 2.884 1.00 0.00 N ATOM 604 CA LEU A 42 -5.598 10.565 4.146 1.00 0.00 C ATOM 605 C LEU A 42 -5.531 9.162 4.727 1.00 0.00 C ATOM 606 O LEU A 42 -4.495 8.754 5.237 1.00 0.00 O ATOM 607 CB LEU A 42 -6.244 11.522 5.153 1.00 0.00 C ATOM 608 CG LEU A 42 -5.666 11.457 6.573 1.00 0.00 C ATOM 609 CD1 LEU A 42 -4.154 11.615 6.546 1.00 0.00 C ATOM 610 CD2 LEU A 42 -6.294 12.528 7.455 1.00 0.00 C ATOM 0 H LEU A 42 -7.217 11.060 2.910 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.582 10.905 3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.140 12.541 4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.312 11.308 5.201 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.902 10.479 6.992 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.765 11.566 7.563 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.715 10.814 5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.897 12.578 6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.872 12.467 8.458 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.088 13.512 7.034 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.372 12.373 7.505 1.00 0.00 H new ATOM 622 N SER A 43 -6.627 8.426 4.624 1.00 0.00 N ATOM 623 CA SER A 43 -6.709 7.090 5.196 1.00 0.00 C ATOM 624 C SER A 43 -5.528 6.225 4.750 1.00 0.00 C ATOM 625 O SER A 43 -4.787 5.682 5.583 1.00 0.00 O ATOM 626 CB SER A 43 -8.029 6.449 4.782 1.00 0.00 C ATOM 627 OG SER A 43 -9.097 7.370 4.928 1.00 0.00 O ATOM 0 H SER A 43 -7.475 8.733 4.148 1.00 0.00 H new ATOM 0 HA SER A 43 -6.666 7.167 6.282 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.968 6.115 3.746 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.218 5.565 5.391 1.00 0.00 H new ATOM 0 HG SER A 43 -9.950 6.902 4.812 1.00 0.00 H new ATOM 633 N MET A 44 -5.327 6.136 3.434 1.00 0.00 N ATOM 634 CA MET A 44 -4.241 5.330 2.899 1.00 0.00 C ATOM 635 C MET A 44 -2.900 5.908 3.293 1.00 0.00 C ATOM 636 O MET A 44 -2.059 5.206 3.834 1.00 0.00 O ATOM 637 CB MET A 44 -4.331 5.165 1.373 1.00 0.00 C ATOM 638 CG MET A 44 -4.406 6.455 0.569 1.00 0.00 C ATOM 639 SD MET A 44 -4.748 6.129 -1.169 1.00 0.00 S ATOM 640 CE MET A 44 -5.231 7.747 -1.749 1.00 0.00 C ATOM 0 H MET A 44 -5.897 6.607 2.731 1.00 0.00 H new ATOM 0 HA MET A 44 -4.339 4.336 3.336 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.462 4.599 1.036 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.211 4.564 1.143 1.00 0.00 H new ATOM 0 HG2 MET A 44 -5.185 7.097 0.980 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.465 6.997 0.660 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.869 7.892 -2.767 1.00 0.00 H new ATOM 0 HE2 MET A 44 -6.318 7.829 -1.735 1.00 0.00 H new ATOM 0 HE3 MET A 44 -4.801 8.510 -1.099 1.00 0.00 H new ATOM 650 N VAL A 45 -2.707 7.193 3.079 1.00 0.00 N ATOM 651 CA VAL A 45 -1.424 7.803 3.384 1.00 0.00 C ATOM 652 C VAL A 45 -1.095 7.680 4.880 1.00 0.00 C ATOM 653 O VAL A 45 0.065 7.663 5.262 1.00 0.00 O ATOM 654 CB VAL A 45 -1.381 9.280 2.925 1.00 0.00 C ATOM 655 CG1 VAL A 45 -0.071 9.950 3.317 1.00 0.00 C ATOM 656 CG2 VAL A 45 -1.579 9.354 1.417 1.00 0.00 C ATOM 0 H VAL A 45 -3.409 7.829 2.701 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.660 7.261 2.827 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.188 9.815 3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.077 10.986 2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.041 9.923 4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.761 9.421 2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.548 10.395 1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.786 8.797 0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.545 8.922 1.155 1.00 0.00 H new ATOM 666 N GLU A 46 -2.111 7.518 5.716 1.00 0.00 N ATOM 667 CA GLU A 46 -1.893 7.424 7.152 1.00 0.00 C ATOM 668 C GLU A 46 -1.294 6.070 7.533 1.00 0.00 C ATOM 669 O GLU A 46 -0.130 5.991 7.945 1.00 0.00 O ATOM 670 CB GLU A 46 -3.214 7.648 7.902 1.00 0.00 C ATOM 671 CG GLU A 46 -3.085 7.614 9.419 1.00 0.00 C ATOM 672 CD GLU A 46 -2.214 8.732 9.963 1.00 0.00 C ATOM 673 OE1 GLU A 46 -2.745 9.837 10.202 1.00 0.00 O ATOM 674 OE2 GLU A 46 -1.002 8.504 10.160 1.00 0.00 O ATOM 0 H GLU A 46 -3.087 7.449 5.427 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.183 8.200 7.438 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.628 8.612 7.605 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.928 6.885 7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.077 7.684 9.865 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.666 6.654 9.722 1.00 0.00 H new ATOM 681 N VAL A 47 -2.042 4.985 7.339 1.00 0.00 N ATOM 682 CA VAL A 47 -1.559 3.698 7.795 1.00 0.00 C ATOM 683 C VAL A 47 -0.666 3.046 6.740 1.00 0.00 C ATOM 684 O VAL A 47 0.216 2.256 7.070 1.00 0.00 O ATOM 685 CB VAL A 47 -2.717 2.756 8.181 1.00 0.00 C ATOM 686 CG1 VAL A 47 -2.201 1.533 8.924 1.00 0.00 C ATOM 687 CG2 VAL A 47 -3.739 3.497 9.032 1.00 0.00 C ATOM 0 H VAL A 47 -2.955 4.975 6.884 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.965 3.875 8.692 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.199 2.418 7.264 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.038 0.885 9.184 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.505 0.987 8.287 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.690 1.849 9.834 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.551 2.820 9.297 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.260 3.862 9.940 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.139 4.340 8.469 1.00 0.00 H new ATOM 697 N VAL A 48 -0.855 3.406 5.473 1.00 0.00 N ATOM 698 CA VAL A 48 -0.059 2.805 4.404 1.00 0.00 C ATOM 699 C VAL A 48 1.324 3.475 4.322 1.00 0.00 C ATOM 700 O VAL A 48 2.273 2.896 3.798 1.00 0.00 O ATOM 701 CB VAL A 48 -0.791 2.844 3.035 1.00 0.00 C ATOM 702 CG1 VAL A 48 -0.049 2.048 1.971 1.00 0.00 C ATOM 703 CG2 VAL A 48 -2.205 2.307 3.185 1.00 0.00 C ATOM 0 H VAL A 48 -1.538 4.097 5.164 1.00 0.00 H new ATOM 0 HA VAL A 48 0.082 1.753 4.650 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.824 3.884 2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.595 2.102 1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.949 2.464 1.836 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.031 1.007 2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.710 2.338 2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.167 1.278 3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.753 2.919 3.901 1.00 0.00 H new ATOM 713 N VAL A 49 1.450 4.687 4.873 1.00 0.00 N ATOM 714 CA VAL A 49 2.771 5.276 5.098 1.00 0.00 C ATOM 715 C VAL A 49 3.399 4.643 6.334 1.00 0.00 C ATOM 716 O VAL A 49 4.606 4.433 6.405 1.00 0.00 O ATOM 717 CB VAL A 49 2.723 6.818 5.229 1.00 0.00 C ATOM 718 CG1 VAL A 49 3.886 7.364 6.052 1.00 0.00 C ATOM 719 CG2 VAL A 49 2.732 7.443 3.844 1.00 0.00 C ATOM 0 H VAL A 49 0.666 5.270 5.167 1.00 0.00 H new ATOM 0 HA VAL A 49 3.386 5.066 4.223 1.00 0.00 H new ATOM 0 HB VAL A 49 1.804 7.079 5.754 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.809 8.449 6.116 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.853 6.938 7.055 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.828 7.095 5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.698 8.529 3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.641 7.151 3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.863 7.098 3.284 1.00 0.00 H new ATOM 729 N ALA A 50 2.568 4.295 7.303 1.00 0.00 N ATOM 730 CA ALA A 50 3.028 3.468 8.411 1.00 0.00 C ATOM 731 C ALA A 50 3.508 2.112 7.878 1.00 0.00 C ATOM 732 O ALA A 50 4.251 1.387 8.543 1.00 0.00 O ATOM 733 CB ALA A 50 1.921 3.294 9.442 1.00 0.00 C ATOM 0 H ALA A 50 1.586 4.566 7.348 1.00 0.00 H new ATOM 0 HA ALA A 50 3.865 3.962 8.905 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.282 2.674 10.262 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.626 4.270 9.828 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.061 2.814 8.975 1.00 0.00 H new ATOM 739 N ALA A 51 3.058 1.778 6.671 1.00 0.00 N ATOM 740 CA ALA A 51 3.486 0.570 5.975 1.00 0.00 C ATOM 741 C ALA A 51 4.770 0.791 5.188 1.00 0.00 C ATOM 742 O ALA A 51 5.581 -0.121 5.062 1.00 0.00 O ATOM 743 CB ALA A 51 2.398 0.087 5.034 1.00 0.00 C ATOM 0 H ALA A 51 2.385 2.339 6.148 1.00 0.00 H new ATOM 0 HA ALA A 51 3.679 -0.186 6.736 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.733 -0.815 4.522 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.495 -0.133 5.604 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.182 0.862 4.299 1.00 0.00 H new ATOM 749 N GLU A 52 4.967 1.990 4.652 1.00 0.00 N ATOM 750 CA GLU A 52 6.123 2.229 3.803 1.00 0.00 C ATOM 751 C GLU A 52 7.402 2.106 4.632 1.00 0.00 C ATOM 752 O GLU A 52 8.312 1.347 4.296 1.00 0.00 O ATOM 753 CB GLU A 52 6.058 3.601 3.104 1.00 0.00 C ATOM 754 CG GLU A 52 6.098 4.788 4.048 1.00 0.00 C ATOM 755 CD GLU A 52 6.672 6.045 3.418 1.00 0.00 C ATOM 756 OE1 GLU A 52 7.520 5.930 2.508 1.00 0.00 O ATOM 757 OE2 GLU A 52 6.298 7.149 3.856 1.00 0.00 O ATOM 0 H GLU A 52 4.355 2.795 4.787 1.00 0.00 H new ATOM 0 HA GLU A 52 6.124 1.474 3.017 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.891 3.679 2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.143 3.652 2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.088 4.996 4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.692 4.526 4.923 1.00 0.00 H new ATOM 764 N GLU A 53 7.431 2.808 5.752 1.00 0.00 N ATOM 765 CA GLU A 53 8.616 2.861 6.593 1.00 0.00 C ATOM 766 C GLU A 53 9.079 1.477 7.034 1.00 0.00 C ATOM 767 O GLU A 53 10.279 1.208 7.110 1.00 0.00 O ATOM 768 CB GLU A 53 8.346 3.683 7.835 1.00 0.00 C ATOM 769 CG GLU A 53 7.812 5.078 7.584 1.00 0.00 C ATOM 770 CD GLU A 53 7.725 5.875 8.866 1.00 0.00 C ATOM 771 OE1 GLU A 53 6.932 5.495 9.754 1.00 0.00 O ATOM 772 OE2 GLU A 53 8.476 6.864 9.006 1.00 0.00 O ATOM 0 H GLU A 53 6.643 3.352 6.102 1.00 0.00 H new ATOM 0 HA GLU A 53 9.400 3.317 5.989 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.632 3.145 8.459 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.271 3.763 8.406 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.459 5.595 6.876 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.825 5.014 7.126 1.00 0.00 H new ATOM 779 N ARG A 54 8.127 0.600 7.315 1.00 0.00 N ATOM 780 CA ARG A 54 8.442 -0.710 7.869 1.00 0.00 C ATOM 781 C ARG A 54 9.084 -1.619 6.817 1.00 0.00 C ATOM 782 O ARG A 54 9.566 -2.703 7.137 1.00 0.00 O ATOM 783 CB ARG A 54 7.189 -1.356 8.478 1.00 0.00 C ATOM 784 CG ARG A 54 6.065 -1.619 7.493 1.00 0.00 C ATOM 785 CD ARG A 54 4.857 -2.229 8.185 1.00 0.00 C ATOM 786 NE ARG A 54 4.262 -1.313 9.153 1.00 0.00 N ATOM 787 CZ ARG A 54 3.756 -1.690 10.329 1.00 0.00 C ATOM 788 NH1 ARG A 54 3.897 -2.945 10.742 1.00 0.00 N ATOM 789 NH2 ARG A 54 3.157 -0.797 11.108 1.00 0.00 N ATOM 0 H ARG A 54 7.132 0.770 7.169 1.00 0.00 H new ATOM 0 HA ARG A 54 9.172 -0.573 8.667 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.474 -2.300 8.943 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.814 -0.710 9.272 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.777 -0.686 7.009 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.415 -2.290 6.709 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.111 -2.503 7.439 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.154 -3.148 8.690 1.00 0.00 H new ATOM 0 HE ARG A 54 4.231 -0.322 8.916 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.392 -3.621 10.160 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.510 -3.233 11.641 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.084 0.175 10.807 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.770 -1.083 12.007 1.00 0.00 H new ATOM 803 N PHE A 55 9.107 -1.162 5.569 1.00 0.00 N ATOM 804 CA PHE A 55 9.800 -1.881 4.505 1.00 0.00 C ATOM 805 C PHE A 55 11.028 -1.097 4.037 1.00 0.00 C ATOM 806 O PHE A 55 11.648 -1.436 3.030 1.00 0.00 O ATOM 807 CB PHE A 55 8.850 -2.163 3.336 1.00 0.00 C ATOM 808 CG PHE A 55 7.787 -3.171 3.667 1.00 0.00 C ATOM 809 CD1 PHE A 55 8.094 -4.521 3.720 1.00 0.00 C ATOM 810 CD2 PHE A 55 6.486 -2.774 3.931 1.00 0.00 C ATOM 811 CE1 PHE A 55 7.125 -5.454 4.033 1.00 0.00 C ATOM 812 CE2 PHE A 55 5.512 -3.703 4.242 1.00 0.00 C ATOM 813 CZ PHE A 55 5.832 -5.046 4.294 1.00 0.00 C ATOM 0 H PHE A 55 8.654 -0.298 5.270 1.00 0.00 H new ATOM 0 HA PHE A 55 10.141 -2.838 4.901 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.375 -1.231 3.029 1.00 0.00 H new ATOM 0 HB3 PHE A 55 9.429 -2.521 2.484 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.103 -4.848 3.514 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.230 -1.725 3.893 1.00 0.00 H new ATOM 0 HE1 PHE A 55 7.379 -6.503 4.074 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.502 -3.380 4.444 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.073 -5.775 4.538 1.00 0.00 H new ATOM 823 N ASP A 56 11.373 -0.051 4.795 1.00 0.00 N ATOM 824 CA ASP A 56 12.575 0.756 4.539 1.00 0.00 C ATOM 825 C ASP A 56 12.502 1.459 3.194 1.00 0.00 C ATOM 826 O ASP A 56 13.503 1.585 2.493 1.00 0.00 O ATOM 827 CB ASP A 56 13.841 -0.109 4.597 1.00 0.00 C ATOM 828 CG ASP A 56 14.203 -0.509 6.007 1.00 0.00 C ATOM 829 OD1 ASP A 56 13.615 -1.481 6.527 1.00 0.00 O ATOM 830 OD2 ASP A 56 15.079 0.143 6.604 1.00 0.00 O ATOM 0 H ASP A 56 10.831 0.261 5.601 1.00 0.00 H new ATOM 0 HA ASP A 56 12.622 1.512 5.322 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.693 -1.006 3.995 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.672 0.439 4.153 1.00 0.00 H new ATOM 835 N VAL A 57 11.326 1.943 2.859 1.00 0.00 N ATOM 836 CA VAL A 57 11.100 2.570 1.570 1.00 0.00 C ATOM 837 C VAL A 57 10.774 4.052 1.749 1.00 0.00 C ATOM 838 O VAL A 57 10.494 4.502 2.861 1.00 0.00 O ATOM 839 CB VAL A 57 9.939 1.870 0.841 1.00 0.00 C ATOM 840 CG1 VAL A 57 8.644 2.113 1.580 1.00 0.00 C ATOM 841 CG2 VAL A 57 9.825 2.325 -0.601 1.00 0.00 C ATOM 0 H VAL A 57 10.505 1.915 3.464 1.00 0.00 H new ATOM 0 HA VAL A 57 12.008 2.477 0.975 1.00 0.00 H new ATOM 0 HB VAL A 57 10.147 0.800 0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.828 1.614 1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.723 1.716 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.446 3.184 1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.994 1.808 -1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.649 3.400 -0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.750 2.094 -1.130 1.00 0.00 H new ATOM 851 N LYS A 58 10.839 4.801 0.659 1.00 0.00 N ATOM 852 CA LYS A 58 10.459 6.198 0.664 1.00 0.00 C ATOM 853 C LYS A 58 9.437 6.473 -0.436 1.00 0.00 C ATOM 854 O LYS A 58 9.757 6.393 -1.625 1.00 0.00 O ATOM 855 CB LYS A 58 11.707 7.067 0.465 1.00 0.00 C ATOM 856 CG LYS A 58 11.417 8.548 0.267 1.00 0.00 C ATOM 857 CD LYS A 58 12.701 9.345 0.089 1.00 0.00 C ATOM 858 CE LYS A 58 12.419 10.793 -0.280 1.00 0.00 C ATOM 859 NZ LYS A 58 11.586 11.488 0.738 1.00 0.00 N ATOM 0 H LYS A 58 11.155 4.456 -0.247 1.00 0.00 H new ATOM 0 HA LYS A 58 10.002 6.443 1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.359 6.949 1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.257 6.698 -0.400 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.779 8.682 -0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.865 8.931 1.126 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.281 9.311 1.011 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.311 8.884 -0.688 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.363 11.325 -0.397 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.912 10.827 -1.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.493 12.492 0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.643 11.051 0.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.039 11.408 1.671 1.00 0.00 H new ATOM 873 N ILE A 59 8.206 6.768 -0.034 1.00 0.00 N ATOM 874 CA ILE A 59 7.177 7.204 -0.973 1.00 0.00 C ATOM 875 C ILE A 59 6.467 8.457 -0.449 1.00 0.00 C ATOM 876 O ILE A 59 5.906 8.459 0.644 1.00 0.00 O ATOM 877 CB ILE A 59 6.142 6.089 -1.288 1.00 0.00 C ATOM 878 CG1 ILE A 59 4.997 6.644 -2.143 1.00 0.00 C ATOM 879 CG2 ILE A 59 5.599 5.460 -0.012 1.00 0.00 C ATOM 880 CD1 ILE A 59 4.030 5.585 -2.630 1.00 0.00 C ATOM 0 H ILE A 59 7.895 6.713 0.936 1.00 0.00 H new ATOM 0 HA ILE A 59 7.684 7.442 -1.908 1.00 0.00 H new ATOM 0 HB ILE A 59 6.653 5.309 -1.853 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.448 7.385 -1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.418 7.163 -3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.878 4.684 -0.267 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.420 5.020 0.555 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.110 6.225 0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.248 6.054 -3.228 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.565 4.856 -3.239 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.580 5.082 -1.774 1.00 0.00 H new ATOM 892 N PRO A 60 6.528 9.558 -1.217 1.00 0.00 N ATOM 893 CA PRO A 60 5.909 10.839 -0.835 1.00 0.00 C ATOM 894 C PRO A 60 4.407 10.728 -0.562 1.00 0.00 C ATOM 895 O PRO A 60 3.710 9.914 -1.174 1.00 0.00 O ATOM 896 CB PRO A 60 6.156 11.729 -2.054 1.00 0.00 C ATOM 897 CG PRO A 60 7.344 11.131 -2.720 1.00 0.00 C ATOM 898 CD PRO A 60 7.219 9.649 -2.513 1.00 0.00 C ATOM 0 HA PRO A 60 6.332 11.220 0.094 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.292 11.740 -2.719 1.00 0.00 H new ATOM 0 HB3 PRO A 60 6.344 12.761 -1.760 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.364 11.378 -3.781 1.00 0.00 H new ATOM 0 HG3 PRO A 60 8.269 11.511 -2.286 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.646 9.176 -3.311 1.00 0.00 H new ATOM 0 HD3 PRO A 60 8.193 9.161 -2.487 1.00 0.00 H new ATOM 906 N ASP A 61 3.919 11.569 0.352 1.00 0.00 N ATOM 907 CA ASP A 61 2.504 11.588 0.734 1.00 0.00 C ATOM 908 C ASP A 61 1.611 11.705 -0.490 1.00 0.00 C ATOM 909 O ASP A 61 0.625 10.977 -0.640 1.00 0.00 O ATOM 910 CB ASP A 61 2.203 12.777 1.650 1.00 0.00 C ATOM 911 CG ASP A 61 3.022 12.790 2.922 1.00 0.00 C ATOM 912 OD1 ASP A 61 4.243 13.042 2.840 1.00 0.00 O ATOM 913 OD2 ASP A 61 2.449 12.578 4.008 1.00 0.00 O ATOM 0 H ASP A 61 4.490 12.254 0.847 1.00 0.00 H new ATOM 0 HA ASP A 61 2.302 10.652 1.255 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.385 13.701 1.102 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.145 12.764 1.910 1.00 0.00 H new ATOM 918 N ASP A 62 1.970 12.640 -1.358 1.00 0.00 N ATOM 919 CA ASP A 62 1.188 12.938 -2.549 1.00 0.00 C ATOM 920 C ASP A 62 1.094 11.720 -3.456 1.00 0.00 C ATOM 921 O ASP A 62 0.075 11.496 -4.104 1.00 0.00 O ATOM 922 CB ASP A 62 1.819 14.101 -3.323 1.00 0.00 C ATOM 923 CG ASP A 62 2.026 15.336 -2.465 1.00 0.00 C ATOM 924 OD1 ASP A 62 1.111 16.181 -2.386 1.00 0.00 O ATOM 925 OD2 ASP A 62 3.115 15.469 -1.866 1.00 0.00 O ATOM 0 H ASP A 62 2.809 13.212 -1.257 1.00 0.00 H new ATOM 0 HA ASP A 62 0.184 13.217 -2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.779 13.782 -3.730 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.182 14.355 -4.170 1.00 0.00 H new ATOM 930 N ASP A 63 2.150 10.920 -3.481 1.00 0.00 N ATOM 931 CA ASP A 63 2.231 9.789 -4.390 1.00 0.00 C ATOM 932 C ASP A 63 1.280 8.669 -3.985 1.00 0.00 C ATOM 933 O ASP A 63 0.768 7.956 -4.846 1.00 0.00 O ATOM 934 CB ASP A 63 3.670 9.279 -4.479 1.00 0.00 C ATOM 935 CG ASP A 63 4.575 10.247 -5.216 1.00 0.00 C ATOM 936 OD1 ASP A 63 4.635 11.428 -4.819 1.00 0.00 O ATOM 937 OD2 ASP A 63 5.222 9.840 -6.203 1.00 0.00 O ATOM 0 H ASP A 63 2.965 11.035 -2.879 1.00 0.00 H new ATOM 0 HA ASP A 63 1.921 10.133 -5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.058 9.114 -3.474 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.681 8.315 -4.987 1.00 0.00 H new ATOM 942 N VAL A 64 1.019 8.518 -2.685 1.00 0.00 N ATOM 943 CA VAL A 64 0.063 7.508 -2.239 1.00 0.00 C ATOM 944 C VAL A 64 -1.348 7.971 -2.575 1.00 0.00 C ATOM 945 O VAL A 64 -2.177 7.197 -3.032 1.00 0.00 O ATOM 946 CB VAL A 64 0.157 7.196 -0.726 1.00 0.00 C ATOM 947 CG1 VAL A 64 -0.642 5.944 -0.388 1.00 0.00 C ATOM 948 CG2 VAL A 64 1.607 7.035 -0.289 1.00 0.00 C ATOM 0 H VAL A 64 1.445 9.069 -1.940 1.00 0.00 H new ATOM 0 HA VAL A 64 0.309 6.585 -2.764 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.269 8.039 -0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.564 5.740 0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.688 6.097 -0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.246 5.097 -0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.643 6.816 0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.065 6.216 -0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.152 7.958 -0.489 1.00 0.00 H new ATOM 958 N LYS A 65 -1.611 9.248 -2.344 1.00 0.00 N ATOM 959 CA LYS A 65 -2.858 9.862 -2.789 1.00 0.00 C ATOM 960 C LYS A 65 -3.047 9.684 -4.297 1.00 0.00 C ATOM 961 O LYS A 65 -4.148 9.405 -4.769 1.00 0.00 O ATOM 962 CB LYS A 65 -2.875 11.356 -2.412 1.00 0.00 C ATOM 963 CG LYS A 65 -4.062 12.142 -2.965 1.00 0.00 C ATOM 964 CD LYS A 65 -3.819 12.600 -4.396 1.00 0.00 C ATOM 965 CE LYS A 65 -5.098 13.100 -5.043 1.00 0.00 C ATOM 966 NZ LYS A 65 -4.895 13.480 -6.467 1.00 0.00 N ATOM 0 H LYS A 65 -0.980 9.881 -1.852 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.687 9.364 -2.287 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.875 11.442 -1.325 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.954 11.817 -2.769 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.957 11.521 -2.929 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.250 13.010 -2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.072 13.393 -4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.413 11.774 -4.980 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.862 12.325 -4.981 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.471 13.961 -4.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.016 14.507 -6.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.935 13.212 -6.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.592 12.986 -7.061 1.00 0.00 H new ATOM 980 N ASN A 66 -1.962 9.836 -5.046 1.00 0.00 N ATOM 981 CA ASN A 66 -2.021 9.858 -6.508 1.00 0.00 C ATOM 982 C ASN A 66 -2.198 8.474 -7.102 1.00 0.00 C ATOM 983 O ASN A 66 -2.314 8.323 -8.318 1.00 0.00 O ATOM 984 CB ASN A 66 -0.757 10.495 -7.083 1.00 0.00 C ATOM 985 CG ASN A 66 -0.856 12.006 -7.175 1.00 0.00 C ATOM 986 OD1 ASN A 66 -1.940 12.560 -7.365 1.00 0.00 O ATOM 987 ND2 ASN A 66 0.274 12.683 -7.048 1.00 0.00 N ATOM 0 H ASN A 66 -1.023 9.947 -4.665 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.894 10.452 -6.777 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.096 10.228 -6.460 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.567 10.086 -8.075 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.268 13.701 -7.107 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.151 12.186 -6.892 1.00 0.00 H new ATOM 994 N LEU A 67 -2.216 7.467 -6.261 1.00 0.00 N ATOM 995 CA LEU A 67 -2.385 6.117 -6.738 1.00 0.00 C ATOM 996 C LEU A 67 -3.776 5.614 -6.396 1.00 0.00 C ATOM 997 O LEU A 67 -4.304 5.890 -5.322 1.00 0.00 O ATOM 998 CB LEU A 67 -1.275 5.214 -6.189 1.00 0.00 C ATOM 999 CG LEU A 67 -1.144 5.115 -4.671 1.00 0.00 C ATOM 1000 CD1 LEU A 67 -2.104 4.079 -4.103 1.00 0.00 C ATOM 1001 CD2 LEU A 67 0.288 4.773 -4.294 1.00 0.00 C ATOM 0 H LEU A 67 -2.116 7.557 -5.250 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.296 6.098 -7.824 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.432 4.209 -6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.324 5.567 -6.588 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.404 6.083 -4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.988 4.031 -3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.129 4.361 -4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.884 3.103 -4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.372 4.704 -3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.564 3.818 -4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.957 5.551 -4.661 1.00 0.00 H new ATOM 1013 N LYS A 68 -4.383 4.902 -7.329 1.00 0.00 N ATOM 1014 CA LYS A 68 -5.769 4.500 -7.174 1.00 0.00 C ATOM 1015 C LYS A 68 -5.905 2.991 -7.047 1.00 0.00 C ATOM 1016 O LYS A 68 -7.011 2.478 -6.925 1.00 0.00 O ATOM 1017 CB LYS A 68 -6.647 5.030 -8.321 1.00 0.00 C ATOM 1018 CG LYS A 68 -5.955 5.124 -9.676 1.00 0.00 C ATOM 1019 CD LYS A 68 -5.135 6.403 -9.791 1.00 0.00 C ATOM 1020 CE LYS A 68 -4.420 6.493 -11.124 1.00 0.00 C ATOM 1021 NZ LYS A 68 -5.369 6.550 -12.264 1.00 0.00 N ATOM 0 H LYS A 68 -3.942 4.592 -8.195 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.125 4.948 -6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.518 4.382 -8.420 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.015 6.019 -8.049 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.306 4.260 -9.816 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.701 5.095 -10.470 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.789 7.267 -9.670 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.404 6.441 -8.983 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.786 7.380 -11.136 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.764 5.631 -11.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.853 6.797 -13.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.825 5.623 -12.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.095 7.271 -12.076 1.00 0.00 H new ATOM 1035 N THR A 69 -4.788 2.277 -7.071 1.00 0.00 N ATOM 1036 CA THR A 69 -4.803 0.847 -6.802 1.00 0.00 C ATOM 1037 C THR A 69 -3.771 0.524 -5.736 1.00 0.00 C ATOM 1038 O THR A 69 -2.784 1.244 -5.582 1.00 0.00 O ATOM 1039 CB THR A 69 -4.509 -0.003 -8.063 1.00 0.00 C ATOM 1040 OG1 THR A 69 -3.135 0.131 -8.438 1.00 0.00 O ATOM 1041 CG2 THR A 69 -5.393 0.419 -9.220 1.00 0.00 C ATOM 0 H THR A 69 -3.865 2.662 -7.273 1.00 0.00 H new ATOM 0 HA THR A 69 -5.808 0.594 -6.463 1.00 0.00 H new ATOM 0 HB THR A 69 -4.721 -1.045 -7.824 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.012 0.965 -8.938 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.167 -0.193 -10.093 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.440 0.287 -8.945 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.209 1.467 -9.455 1.00 0.00 H new ATOM 1049 N VAL A 70 -3.995 -0.548 -4.998 1.00 0.00 N ATOM 1050 CA VAL A 70 -3.015 -1.000 -4.022 1.00 0.00 C ATOM 1051 C VAL A 70 -1.782 -1.530 -4.747 1.00 0.00 C ATOM 1052 O VAL A 70 -0.675 -1.549 -4.199 1.00 0.00 O ATOM 1053 CB VAL A 70 -3.619 -2.065 -3.074 1.00 0.00 C ATOM 1054 CG1 VAL A 70 -4.508 -3.012 -3.843 1.00 0.00 C ATOM 1055 CG2 VAL A 70 -2.542 -2.842 -2.326 1.00 0.00 C ATOM 0 H VAL A 70 -4.838 -1.119 -5.053 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.718 -0.156 -3.400 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.217 -1.536 -2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.924 -3.754 -3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.319 -2.452 -4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.924 -3.514 -4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.011 -3.578 -1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.897 -3.351 -3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.946 -2.153 -1.727 1.00 0.00 H new ATOM 1065 N GLY A 71 -1.972 -1.907 -6.007 1.00 0.00 N ATOM 1066 CA GLY A 71 -0.867 -2.384 -6.802 1.00 0.00 C ATOM 1067 C GLY A 71 0.095 -1.266 -7.166 1.00 0.00 C ATOM 1068 O GLY A 71 1.300 -1.491 -7.304 1.00 0.00 O ATOM 0 H GLY A 71 -2.872 -1.889 -6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.332 -3.158 -6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.248 -2.846 -7.713 1.00 0.00 H new ATOM 1072 N ASP A 72 -0.445 -0.059 -7.335 1.00 0.00 N ATOM 1073 CA ASP A 72 0.380 1.128 -7.563 1.00 0.00 C ATOM 1074 C ASP A 72 1.366 1.307 -6.424 1.00 0.00 C ATOM 1075 O ASP A 72 2.567 1.459 -6.648 1.00 0.00 O ATOM 1076 CB ASP A 72 -0.469 2.399 -7.665 1.00 0.00 C ATOM 1077 CG ASP A 72 -1.146 2.576 -9.005 1.00 0.00 C ATOM 1078 OD1 ASP A 72 -0.435 2.818 -10.004 1.00 0.00 O ATOM 1079 OD2 ASP A 72 -2.393 2.507 -9.060 1.00 0.00 O ATOM 0 H ASP A 72 -1.449 0.123 -7.318 1.00 0.00 H new ATOM 0 HA ASP A 72 0.905 0.975 -8.506 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.229 2.380 -6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.165 3.264 -7.472 1.00 0.00 H new ATOM 1084 N ALA A 73 0.840 1.280 -5.204 1.00 0.00 N ATOM 1085 CA ALA A 73 1.641 1.466 -4.003 1.00 0.00 C ATOM 1086 C ALA A 73 2.757 0.448 -3.927 1.00 0.00 C ATOM 1087 O ALA A 73 3.916 0.800 -3.732 1.00 0.00 O ATOM 1088 CB ALA A 73 0.776 1.341 -2.767 1.00 0.00 C ATOM 0 H ALA A 73 -0.152 1.129 -5.022 1.00 0.00 H new ATOM 0 HA ALA A 73 2.075 2.465 -4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.390 1.483 -1.877 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.007 2.099 -2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.321 0.351 -2.740 1.00 0.00 H new ATOM 1094 N THR A 74 2.400 -0.815 -4.096 1.00 0.00 N ATOM 1095 CA THR A 74 3.349 -1.893 -3.940 1.00 0.00 C ATOM 1096 C THR A 74 4.484 -1.788 -4.937 1.00 0.00 C ATOM 1097 O THR A 74 5.643 -1.764 -4.547 1.00 0.00 O ATOM 1098 CB THR A 74 2.669 -3.263 -4.060 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.533 -3.177 -4.927 1.00 0.00 O ATOM 1100 CG2 THR A 74 2.242 -3.753 -2.693 1.00 0.00 C ATOM 0 H THR A 74 1.456 -1.114 -4.342 1.00 0.00 H new ATOM 0 HA THR A 74 3.765 -1.801 -2.937 1.00 0.00 H new ATOM 0 HB THR A 74 3.381 -3.972 -4.483 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.756 -2.624 -5.705 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.760 -4.726 -2.789 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.117 -3.843 -2.049 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.541 -3.043 -2.255 1.00 0.00 H new ATOM 1108 N LYS A 75 4.156 -1.679 -6.217 1.00 0.00 N ATOM 1109 CA LYS A 75 5.180 -1.615 -7.251 1.00 0.00 C ATOM 1110 C LYS A 75 6.045 -0.365 -7.076 1.00 0.00 C ATOM 1111 O LYS A 75 7.238 -0.381 -7.375 1.00 0.00 O ATOM 1112 CB LYS A 75 4.538 -1.653 -8.638 1.00 0.00 C ATOM 1113 CG LYS A 75 5.113 -2.732 -9.543 1.00 0.00 C ATOM 1114 CD LYS A 75 5.051 -4.104 -8.886 1.00 0.00 C ATOM 1115 CE LYS A 75 5.418 -5.215 -9.863 1.00 0.00 C ATOM 1116 NZ LYS A 75 6.746 -4.998 -10.498 1.00 0.00 N ATOM 0 H LYS A 75 3.197 -1.633 -6.563 1.00 0.00 H new ATOM 0 HA LYS A 75 5.829 -2.486 -7.154 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.466 -1.815 -8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.667 -0.682 -9.116 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.561 -2.752 -10.483 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.148 -2.491 -9.786 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.730 -4.130 -8.034 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.047 -4.277 -8.499 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.421 -6.170 -9.338 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.654 -5.280 -10.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.018 -5.847 -11.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.693 -4.184 -11.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.456 -4.811 -9.762 1.00 0.00 H new ATOM 1130 N TYR A 76 5.439 0.702 -6.565 1.00 0.00 N ATOM 1131 CA TYR A 76 6.175 1.918 -6.238 1.00 0.00 C ATOM 1132 C TYR A 76 7.137 1.635 -5.082 1.00 0.00 C ATOM 1133 O TYR A 76 8.312 2.013 -5.118 1.00 0.00 O ATOM 1134 CB TYR A 76 5.191 3.033 -5.853 1.00 0.00 C ATOM 1135 CG TYR A 76 5.761 4.432 -5.903 1.00 0.00 C ATOM 1136 CD1 TYR A 76 6.714 4.856 -4.988 1.00 0.00 C ATOM 1137 CD2 TYR A 76 5.325 5.334 -6.865 1.00 0.00 C ATOM 1138 CE1 TYR A 76 7.223 6.137 -5.032 1.00 0.00 C ATOM 1139 CE2 TYR A 76 5.830 6.618 -6.916 1.00 0.00 C ATOM 1140 CZ TYR A 76 6.780 7.013 -5.998 1.00 0.00 C ATOM 1141 OH TYR A 76 7.290 8.290 -6.046 1.00 0.00 O ATOM 0 H TYR A 76 4.439 0.749 -6.368 1.00 0.00 H new ATOM 0 HA TYR A 76 6.749 2.243 -7.106 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.330 2.983 -6.520 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.825 2.842 -4.844 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.063 4.172 -4.229 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.580 5.026 -7.584 1.00 0.00 H new ATOM 0 HE1 TYR A 76 7.965 6.451 -4.313 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.483 7.309 -7.670 1.00 0.00 H new ATOM 0 HH TYR A 76 6.636 8.888 -6.464 1.00 0.00 H new ATOM 1151 N ILE A 77 6.621 0.957 -4.061 1.00 0.00 N ATOM 1152 CA ILE A 77 7.405 0.599 -2.891 1.00 0.00 C ATOM 1153 C ILE A 77 8.541 -0.350 -3.257 1.00 0.00 C ATOM 1154 O ILE A 77 9.690 -0.143 -2.870 1.00 0.00 O ATOM 1155 CB ILE A 77 6.522 -0.045 -1.793 1.00 0.00 C ATOM 1156 CG1 ILE A 77 5.665 1.029 -1.119 1.00 0.00 C ATOM 1157 CG2 ILE A 77 7.372 -0.777 -0.757 1.00 0.00 C ATOM 1158 CD1 ILE A 77 4.676 0.480 -0.114 1.00 0.00 C ATOM 0 H ILE A 77 5.651 0.643 -4.024 1.00 0.00 H new ATOM 0 HA ILE A 77 7.830 1.523 -2.499 1.00 0.00 H new ATOM 0 HB ILE A 77 5.870 -0.780 -2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 77 6.320 1.742 -0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.121 1.581 -1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.723 -1.218 -0.000 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.945 -1.564 -1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.055 -0.072 -0.283 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.106 1.301 0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.996 -0.210 -0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.213 -0.047 0.675 1.00 0.00 H new ATOM 1170 N LEU A 78 8.207 -1.359 -4.042 1.00 0.00 N ATOM 1171 CA LEU A 78 9.117 -2.453 -4.352 1.00 0.00 C ATOM 1172 C LEU A 78 10.382 -1.985 -5.068 1.00 0.00 C ATOM 1173 O LEU A 78 11.422 -2.647 -4.993 1.00 0.00 O ATOM 1174 CB LEU A 78 8.386 -3.496 -5.194 1.00 0.00 C ATOM 1175 CG LEU A 78 7.188 -4.148 -4.496 1.00 0.00 C ATOM 1176 CD1 LEU A 78 6.495 -5.127 -5.429 1.00 0.00 C ATOM 1177 CD2 LEU A 78 7.642 -4.848 -3.227 1.00 0.00 C ATOM 0 H LEU A 78 7.293 -1.445 -4.486 1.00 0.00 H new ATOM 0 HA LEU A 78 9.439 -2.891 -3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.042 -3.025 -6.115 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.093 -4.275 -5.479 1.00 0.00 H new ATOM 0 HG LEU A 78 6.473 -3.370 -4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.647 -5.580 -4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.143 -4.598 -6.315 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.197 -5.906 -5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.783 -5.308 -2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.372 -5.617 -3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.097 -4.122 -2.553 1.00 0.00 H new ATOM 1189 N ASP A 79 10.304 -0.859 -5.761 1.00 0.00 N ATOM 1190 CA ASP A 79 11.470 -0.333 -6.465 1.00 0.00 C ATOM 1191 C ASP A 79 12.320 0.564 -5.569 1.00 0.00 C ATOM 1192 O ASP A 79 13.549 0.498 -5.596 1.00 0.00 O ATOM 1193 CB ASP A 79 11.054 0.445 -7.713 1.00 0.00 C ATOM 1194 CG ASP A 79 12.247 1.056 -8.427 1.00 0.00 C ATOM 1195 OD1 ASP A 79 12.981 0.313 -9.112 1.00 0.00 O ATOM 1196 OD2 ASP A 79 12.458 2.281 -8.306 1.00 0.00 O ATOM 0 H ASP A 79 9.458 -0.296 -5.852 1.00 0.00 H new ATOM 0 HA ASP A 79 12.070 -1.193 -6.760 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.525 -0.220 -8.395 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.356 1.234 -7.432 1.00 0.00 H new ATOM 1201 N HIS A 80 11.667 1.385 -4.759 1.00 0.00 N ATOM 1202 CA HIS A 80 12.374 2.412 -3.996 1.00 0.00 C ATOM 1203 C HIS A 80 12.576 2.001 -2.543 1.00 0.00 C ATOM 1204 O HIS A 80 12.802 2.848 -1.680 1.00 0.00 O ATOM 1205 CB HIS A 80 11.622 3.744 -4.061 1.00 0.00 C ATOM 1206 CG HIS A 80 11.598 4.353 -5.426 1.00 0.00 C ATOM 1207 ND1 HIS A 80 12.614 5.140 -5.916 1.00 0.00 N ATOM 1208 CD2 HIS A 80 10.672 4.281 -6.407 1.00 0.00 C ATOM 1209 CE1 HIS A 80 12.311 5.533 -7.137 1.00 0.00 C ATOM 1210 NE2 HIS A 80 11.137 5.025 -7.465 1.00 0.00 N ATOM 0 H HIS A 80 10.658 1.364 -4.612 1.00 0.00 H new ATOM 0 HA HIS A 80 13.357 2.531 -4.451 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.597 3.590 -3.723 1.00 0.00 H new ATOM 0 HB3 HIS A 80 12.084 4.446 -3.367 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.739 3.739 -6.367 1.00 0.00 H new ATOM 0 HE1 HIS A 80 12.921 6.165 -7.765 1.00 0.00 H new ATOM 0 HE2 HIS A 80 10.656 5.162 -8.354 1.00 0.00 H new ATOM 1219 N GLN A 81 12.514 0.704 -2.281 1.00 0.00 N ATOM 1220 CA GLN A 81 12.672 0.190 -0.927 1.00 0.00 C ATOM 1221 C GLN A 81 14.136 -0.106 -0.621 1.00 0.00 C ATOM 1222 O GLN A 81 14.957 -0.224 -1.536 1.00 0.00 O ATOM 1223 CB GLN A 81 11.850 -1.087 -0.735 1.00 0.00 C ATOM 1224 CG GLN A 81 12.258 -2.221 -1.663 1.00 0.00 C ATOM 1225 CD GLN A 81 11.523 -3.513 -1.368 1.00 0.00 C ATOM 1226 OE1 GLN A 81 11.150 -3.790 -0.229 1.00 0.00 O ATOM 1227 NE2 GLN A 81 11.316 -4.316 -2.398 1.00 0.00 N ATOM 0 H GLN A 81 12.355 -0.013 -2.989 1.00 0.00 H new ATOM 0 HA GLN A 81 12.314 0.958 -0.241 1.00 0.00 H new ATOM 0 HB2 GLN A 81 11.949 -1.421 0.298 1.00 0.00 H new ATOM 0 HB3 GLN A 81 10.797 -0.858 -0.896 1.00 0.00 H new ATOM 0 HG2 GLN A 81 12.067 -1.927 -2.695 1.00 0.00 H new ATOM 0 HG3 GLN A 81 13.331 -2.390 -1.573 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.642 -4.048 -3.327 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.831 -5.203 -2.264 1.00 0.00 H new