USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 403 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 23 LYS NZ :NH3+ -145:sc= 0.755 (180deg=-0.141) USER MOD Set 1.2: A 24 TYR OH : rot 180:sc= 0.658 USER MOD Single : A 4 THR OG1 : rot -57:sc= 0.479 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.145! X(o=-0.14!,f=-0.014) USER MOD Single : A 13 LYS NZ :NH3+ -138:sc= 1.1 (180deg=0.591) USER MOD Single : A 14 LYS NZ :NH3+ 159:sc= 1.25 (180deg=1.22) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0335 USER MOD Single : A 28 HIS : no HD1:sc= -0.745 X(o=-0.75,f=-0.27) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= -0.0124 (180deg=-0.225) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 78:sc= 1.17 USER MOD Single : A 36 GLN : amide:sc=-0.00539 X(o=-0.0054,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 10.250 -4.689 -3.020 1.00 0.00 N ATOM 35 CA VAL A 3 9.087 -3.963 -3.534 1.00 0.00 C ATOM 36 C VAL A 3 7.949 -4.863 -4.018 1.00 0.00 C ATOM 37 O VAL A 3 6.797 -4.430 -4.031 1.00 0.00 O ATOM 38 CB VAL A 3 9.456 -2.956 -4.649 1.00 0.00 C ATOM 39 CG1 VAL A 3 10.399 -1.889 -4.121 1.00 0.00 C ATOM 40 CG2 VAL A 3 10.068 -3.662 -5.850 1.00 0.00 C ATOM 0 HA VAL A 3 8.722 -3.415 -2.666 1.00 0.00 H new ATOM 0 HB VAL A 3 8.536 -2.472 -4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 3 10.645 -1.192 -4.922 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.918 -1.349 -3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 3 11.312 -2.359 -3.756 1.00 0.00 H new ATOM 0 HG21 VAL A 3 10.316 -2.928 -6.616 1.00 0.00 H new ATOM 0 HG22 VAL A 3 10.973 -4.185 -5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.353 -4.379 -6.253 1.00 0.00 H new ATOM 50 N THR A 4 8.251 -6.107 -4.400 1.00 0.00 N ATOM 51 CA THR A 4 7.199 -6.997 -4.866 1.00 0.00 C ATOM 52 C THR A 4 6.206 -7.283 -3.746 1.00 0.00 C ATOM 53 O THR A 4 5.020 -7.283 -3.976 1.00 0.00 O ATOM 54 CB THR A 4 7.726 -8.330 -5.515 1.00 0.00 C ATOM 55 OG1 THR A 4 6.636 -9.082 -6.110 1.00 0.00 O ATOM 56 CG2 THR A 4 8.435 -9.218 -4.504 1.00 0.00 C ATOM 0 H THR A 4 9.189 -6.507 -4.395 1.00 0.00 H new ATOM 0 HA THR A 4 6.690 -6.467 -5.671 1.00 0.00 H new ATOM 0 HB THR A 4 8.440 -8.036 -6.284 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.957 -9.269 -5.428 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.781 -10.126 -4.997 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.288 -8.684 -4.086 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.744 -9.481 -3.703 1.00 0.00 H new ATOM 64 N LYS A 5 6.695 -7.417 -2.508 1.00 0.00 N ATOM 65 CA LYS A 5 5.816 -7.732 -1.387 1.00 0.00 C ATOM 66 C LYS A 5 4.915 -6.565 -1.097 1.00 0.00 C ATOM 67 O LYS A 5 3.763 -6.733 -0.722 1.00 0.00 O ATOM 68 CB LYS A 5 6.608 -8.115 -0.131 1.00 0.00 C ATOM 69 CG LYS A 5 7.493 -9.350 -0.286 1.00 0.00 C ATOM 70 CD LYS A 5 6.707 -10.581 -0.760 1.00 0.00 C ATOM 71 CE LYS A 5 5.546 -10.940 0.171 1.00 0.00 C ATOM 72 NZ LYS A 5 4.869 -12.180 -0.263 1.00 0.00 N ATOM 0 H LYS A 5 7.680 -7.313 -2.263 1.00 0.00 H new ATOM 0 HA LYS A 5 5.213 -8.595 -1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.233 -7.271 0.159 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.907 -8.287 0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.290 -9.135 -0.998 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.970 -9.573 0.668 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.319 -10.395 -1.761 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.384 -11.432 -0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.918 -11.064 1.188 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.828 -10.120 0.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.088 -12.395 0.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.493 -12.052 -1.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.549 -12.967 -0.259 1.00 0.00 H new ATOM 86 N LEU A 6 5.438 -5.392 -1.322 1.00 0.00 N ATOM 87 CA LEU A 6 4.714 -4.172 -1.126 1.00 0.00 C ATOM 88 C LEU A 6 3.616 -4.058 -2.178 1.00 0.00 C ATOM 89 O LEU A 6 2.444 -3.878 -1.846 1.00 0.00 O ATOM 90 CB LEU A 6 5.689 -2.999 -1.227 1.00 0.00 C ATOM 91 CG LEU A 6 5.133 -1.598 -0.991 1.00 0.00 C ATOM 92 CD1 LEU A 6 4.527 -1.479 0.401 1.00 0.00 C ATOM 93 CD2 LEU A 6 6.244 -0.584 -1.175 1.00 0.00 C ATOM 0 H LEU A 6 6.394 -5.257 -1.652 1.00 0.00 H new ATOM 0 HA LEU A 6 4.247 -4.161 -0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.493 -3.167 -0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.138 -3.020 -2.220 1.00 0.00 H new ATOM 0 HG LEU A 6 4.340 -1.404 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.138 -0.471 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.716 -2.199 0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.293 -1.682 1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.852 0.419 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.043 -0.786 -0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.637 -0.655 -2.189 1.00 0.00 H new ATOM 105 N ASN A 7 3.999 -4.230 -3.440 1.00 0.00 N ATOM 106 CA ASN A 7 3.070 -4.117 -4.565 1.00 0.00 C ATOM 107 C ASN A 7 2.010 -5.223 -4.478 1.00 0.00 C ATOM 108 O ASN A 7 0.833 -4.979 -4.744 1.00 0.00 O ATOM 109 CB ASN A 7 3.835 -4.191 -5.914 1.00 0.00 C ATOM 110 CG ASN A 7 3.050 -3.684 -7.158 1.00 0.00 C ATOM 111 OD1 ASN A 7 3.657 -3.194 -8.118 1.00 0.00 O ATOM 112 ND2 ASN A 7 1.738 -3.776 -7.165 1.00 0.00 N ATOM 0 H ASN A 7 4.957 -4.451 -3.713 1.00 0.00 H new ATOM 0 HA ASN A 7 2.570 -3.150 -4.515 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.753 -3.610 -5.824 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.129 -5.226 -6.089 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.208 -3.441 -7.969 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.251 -4.182 -6.366 1.00 0.00 H new ATOM 119 N ASP A 8 2.428 -6.422 -4.083 1.00 0.00 N ATOM 120 CA ASP A 8 1.514 -7.567 -3.920 1.00 0.00 C ATOM 121 C ASP A 8 0.476 -7.322 -2.841 1.00 0.00 C ATOM 122 O ASP A 8 -0.692 -7.720 -2.990 1.00 0.00 O ATOM 123 CB ASP A 8 2.251 -8.892 -3.655 1.00 0.00 C ATOM 124 CG ASP A 8 2.833 -9.526 -4.907 1.00 0.00 C ATOM 125 OD1 ASP A 8 2.051 -9.843 -5.841 1.00 0.00 O ATOM 126 OD2 ASP A 8 4.071 -9.755 -4.967 1.00 0.00 O ATOM 0 H ASP A 8 3.402 -6.635 -3.866 1.00 0.00 H new ATOM 0 HA ASP A 8 1.001 -7.663 -4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.055 -8.714 -2.941 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.561 -9.595 -3.189 1.00 0.00 H new ATOM 131 N ARG A 9 0.882 -6.667 -1.753 1.00 0.00 N ATOM 132 CA ARG A 9 -0.057 -6.307 -0.687 1.00 0.00 C ATOM 133 C ARG A 9 -1.068 -5.310 -1.200 1.00 0.00 C ATOM 134 O ARG A 9 -2.249 -5.386 -0.873 1.00 0.00 O ATOM 135 CB ARG A 9 0.650 -5.733 0.535 1.00 0.00 C ATOM 136 CG ARG A 9 1.442 -6.740 1.342 1.00 0.00 C ATOM 137 CD ARG A 9 2.154 -6.060 2.495 1.00 0.00 C ATOM 138 NE ARG A 9 1.223 -5.357 3.393 1.00 0.00 N ATOM 139 CZ ARG A 9 1.534 -4.293 4.138 1.00 0.00 C ATOM 140 NH1 ARG A 9 2.774 -3.808 4.127 1.00 0.00 N ATOM 141 NH2 ARG A 9 0.602 -3.715 4.885 1.00 0.00 N ATOM 0 H ARG A 9 1.845 -6.377 -1.586 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.561 -7.223 -0.380 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.323 -4.940 0.209 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.094 -5.272 1.185 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.775 -7.513 1.725 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.170 -7.236 0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.711 -6.804 3.064 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.881 -5.350 2.101 1.00 0.00 H new ATOM 0 HE ARG A 9 0.268 -5.709 3.451 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.489 -4.249 3.549 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.009 -2.995 4.697 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.349 -4.083 4.889 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.837 -2.902 5.455 1.00 0.00 H new ATOM 155 N ILE A 10 -0.598 -4.389 -2.023 1.00 0.00 N ATOM 156 CA ILE A 10 -1.455 -3.401 -2.649 1.00 0.00 C ATOM 157 C ILE A 10 -2.489 -4.096 -3.515 1.00 0.00 C ATOM 158 O ILE A 10 -3.654 -3.797 -3.427 1.00 0.00 O ATOM 159 CB ILE A 10 -0.637 -2.386 -3.487 1.00 0.00 C ATOM 160 CG1 ILE A 10 0.317 -1.623 -2.565 1.00 0.00 C ATOM 161 CG2 ILE A 10 -1.559 -1.413 -4.242 1.00 0.00 C ATOM 162 CD1 ILE A 10 1.238 -0.675 -3.275 1.00 0.00 C ATOM 0 H ILE A 10 0.387 -4.306 -2.275 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.961 -2.841 -1.863 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.060 -2.931 -4.234 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.270 -1.063 -1.837 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.916 -2.342 -2.006 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.955 -0.714 -4.820 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.208 -1.974 -4.914 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.169 -0.860 -3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.879 -0.177 -2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.855 -1.229 -3.983 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.650 0.070 -3.811 1.00 0.00 H new ATOM 174 N GLU A 11 -2.051 -5.068 -4.293 1.00 0.00 N ATOM 175 CA GLU A 11 -2.940 -5.851 -5.158 1.00 0.00 C ATOM 176 C GLU A 11 -4.026 -6.572 -4.344 1.00 0.00 C ATOM 177 O GLU A 11 -5.172 -6.703 -4.782 1.00 0.00 O ATOM 178 CB GLU A 11 -2.127 -6.863 -5.947 1.00 0.00 C ATOM 179 CG GLU A 11 -1.117 -6.242 -6.884 1.00 0.00 C ATOM 180 CD GLU A 11 -1.752 -5.445 -7.989 1.00 0.00 C ATOM 181 OE1 GLU A 11 -2.147 -6.047 -8.997 1.00 0.00 O ATOM 182 OE2 GLU A 11 -1.816 -4.204 -7.906 1.00 0.00 O ATOM 0 H GLU A 11 -1.071 -5.344 -4.350 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.436 -5.164 -5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.606 -7.518 -5.249 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.807 -7.489 -6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.451 -5.595 -6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.501 -7.029 -7.319 1.00 0.00 H new ATOM 189 N ALA A 12 -3.666 -7.029 -3.161 1.00 0.00 N ATOM 190 CA ALA A 12 -4.615 -7.696 -2.283 1.00 0.00 C ATOM 191 C ALA A 12 -5.577 -6.680 -1.686 1.00 0.00 C ATOM 192 O ALA A 12 -6.771 -6.947 -1.537 1.00 0.00 O ATOM 193 CB ALA A 12 -3.883 -8.445 -1.179 1.00 0.00 C ATOM 0 H ALA A 12 -2.722 -6.952 -2.782 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.185 -8.418 -2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.608 -8.938 -0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.224 -9.192 -1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.292 -7.742 -0.592 1.00 0.00 H new ATOM 199 N LYS A 13 -5.050 -5.510 -1.390 1.00 0.00 N ATOM 200 CA LYS A 13 -5.805 -4.435 -0.782 1.00 0.00 C ATOM 201 C LYS A 13 -6.780 -3.853 -1.826 1.00 0.00 C ATOM 202 O LYS A 13 -7.914 -3.514 -1.513 1.00 0.00 O ATOM 203 CB LYS A 13 -4.818 -3.351 -0.289 1.00 0.00 C ATOM 204 CG LYS A 13 -5.260 -2.557 0.940 1.00 0.00 C ATOM 205 CD LYS A 13 -6.547 -1.783 0.725 1.00 0.00 C ATOM 206 CE LYS A 13 -6.942 -1.039 1.976 1.00 0.00 C ATOM 207 NZ LYS A 13 -7.158 -1.957 3.103 1.00 0.00 N ATOM 0 H LYS A 13 -4.073 -5.276 -1.567 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.381 -4.801 0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.865 -3.830 -0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.639 -2.651 -1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.392 -3.242 1.778 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.468 -1.861 1.218 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.420 -1.079 -0.097 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.344 -2.468 0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.164 -0.321 2.234 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.852 -0.469 1.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.004 -1.664 3.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.292 -2.923 2.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.331 -1.934 3.733 1.00 0.00 H new ATOM 221 N LYS A 14 -6.317 -3.758 -3.054 1.00 0.00 N ATOM 222 CA LYS A 14 -7.106 -3.258 -4.174 1.00 0.00 C ATOM 223 C LYS A 14 -8.353 -4.088 -4.388 1.00 0.00 C ATOM 224 O LYS A 14 -9.446 -3.557 -4.377 1.00 0.00 O ATOM 225 CB LYS A 14 -6.252 -3.199 -5.447 1.00 0.00 C ATOM 226 CG LYS A 14 -5.216 -2.080 -5.430 1.00 0.00 C ATOM 227 CD LYS A 14 -4.136 -2.249 -6.486 1.00 0.00 C ATOM 228 CE LYS A 14 -4.687 -2.306 -7.876 1.00 0.00 C ATOM 229 NZ LYS A 14 -3.611 -2.471 -8.870 1.00 0.00 N ATOM 0 H LYS A 14 -5.368 -4.029 -3.313 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.431 -2.246 -3.933 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.743 -4.154 -5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.906 -3.065 -6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.719 -1.125 -5.583 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.750 -2.040 -4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.431 -1.421 -6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.577 -3.163 -6.284 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.391 -3.134 -7.957 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.244 -1.393 -8.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.008 -2.857 -9.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.172 -1.548 -9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.893 -3.125 -8.499 1.00 0.00 H new ATOM 243 N LYS A 15 -8.191 -5.400 -4.519 1.00 0.00 N ATOM 244 CA LYS A 15 -9.337 -6.305 -4.737 1.00 0.00 C ATOM 245 C LYS A 15 -10.257 -6.323 -3.509 1.00 0.00 C ATOM 246 O LYS A 15 -11.467 -6.581 -3.609 1.00 0.00 O ATOM 247 CB LYS A 15 -8.856 -7.720 -5.033 1.00 0.00 C ATOM 248 CG LYS A 15 -7.979 -7.854 -6.273 1.00 0.00 C ATOM 249 CD LYS A 15 -8.715 -7.514 -7.574 1.00 0.00 C ATOM 250 CE LYS A 15 -9.896 -8.448 -7.832 1.00 0.00 C ATOM 251 NZ LYS A 15 -10.549 -8.172 -9.130 1.00 0.00 N ATOM 0 H LYS A 15 -7.286 -5.869 -4.480 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.897 -5.932 -5.595 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.299 -8.087 -4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.726 -8.367 -5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.114 -7.199 -6.171 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.600 -8.874 -6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.071 -6.485 -7.529 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.018 -7.574 -8.410 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.551 -9.482 -7.812 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.625 -8.340 -7.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.345 -8.828 -9.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.901 -7.194 -9.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.861 -8.300 -9.899 1.00 0.00 H new ATOM 265 N GLU A 16 -9.668 -6.045 -2.368 1.00 0.00 N ATOM 266 CA GLU A 16 -10.395 -5.949 -1.114 1.00 0.00 C ATOM 267 C GLU A 16 -11.304 -4.747 -1.183 1.00 0.00 C ATOM 268 O GLU A 16 -12.499 -4.823 -0.888 1.00 0.00 O ATOM 269 CB GLU A 16 -9.420 -5.786 0.049 1.00 0.00 C ATOM 270 CG GLU A 16 -10.087 -5.489 1.372 1.00 0.00 C ATOM 271 CD GLU A 16 -9.106 -5.210 2.464 1.00 0.00 C ATOM 272 OE1 GLU A 16 -8.657 -6.155 3.133 1.00 0.00 O ATOM 273 OE2 GLU A 16 -8.766 -4.029 2.704 1.00 0.00 O ATOM 0 H GLU A 16 -8.666 -5.878 -2.279 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.977 -6.857 -0.955 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.831 -6.698 0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.723 -4.981 -0.184 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.749 -4.631 1.256 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.711 -6.336 1.658 1.00 0.00 H new ATOM 280 N LEU A 17 -10.730 -3.650 -1.614 1.00 0.00 N ATOM 281 CA LEU A 17 -11.434 -2.417 -1.756 1.00 0.00 C ATOM 282 C LEU A 17 -12.562 -2.524 -2.741 1.00 0.00 C ATOM 283 O LEU A 17 -13.620 -2.033 -2.473 1.00 0.00 O ATOM 284 CB LEU A 17 -10.502 -1.289 -2.130 1.00 0.00 C ATOM 285 CG LEU A 17 -10.198 -0.272 -1.023 1.00 0.00 C ATOM 286 CD1 LEU A 17 -9.294 0.814 -1.536 1.00 0.00 C ATOM 287 CD2 LEU A 17 -11.478 0.339 -0.457 1.00 0.00 C ATOM 0 H LEU A 17 -9.746 -3.597 -1.877 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.869 -2.189 -0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.560 -1.720 -2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -10.931 -0.756 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.692 -0.806 -0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.090 1.526 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.357 0.375 -1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.779 1.329 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.225 1.055 0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.021 0.848 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.103 -0.449 -0.038 1.00 0.00 H new ATOM 299 N ILE A 18 -12.329 -3.210 -3.854 1.00 0.00 N ATOM 300 CA ILE A 18 -13.361 -3.419 -4.892 1.00 0.00 C ATOM 301 C ILE A 18 -14.618 -3.998 -4.235 1.00 0.00 C ATOM 302 O ILE A 18 -15.728 -3.502 -4.416 1.00 0.00 O ATOM 303 CB ILE A 18 -12.865 -4.435 -5.962 1.00 0.00 C ATOM 304 CG1 ILE A 18 -11.494 -4.034 -6.510 1.00 0.00 C ATOM 305 CG2 ILE A 18 -13.869 -4.579 -7.100 1.00 0.00 C ATOM 306 CD1 ILE A 18 -11.437 -2.716 -7.233 1.00 0.00 C ATOM 0 H ILE A 18 -11.430 -3.639 -4.072 1.00 0.00 H new ATOM 0 HA ILE A 18 -13.572 -2.462 -5.369 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.769 -5.403 -5.470 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.787 -4.003 -5.681 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.153 -4.815 -7.190 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -13.492 -5.296 -7.830 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -14.821 -4.932 -6.703 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.013 -3.612 -7.582 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.419 -2.534 -7.578 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -12.111 -2.741 -8.089 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.740 -1.917 -6.557 1.00 0.00 H new ATOM 318 N TYR A 19 -14.388 -5.000 -3.418 1.00 0.00 N ATOM 319 CA TYR A 19 -15.418 -5.691 -2.670 1.00 0.00 C ATOM 320 C TYR A 19 -16.099 -4.727 -1.675 1.00 0.00 C ATOM 321 O TYR A 19 -17.327 -4.611 -1.643 1.00 0.00 O ATOM 322 CB TYR A 19 -14.735 -6.856 -1.943 1.00 0.00 C ATOM 323 CG TYR A 19 -15.606 -7.740 -1.086 1.00 0.00 C ATOM 324 CD1 TYR A 19 -16.304 -8.802 -1.638 1.00 0.00 C ATOM 325 CD2 TYR A 19 -15.687 -7.544 0.285 1.00 0.00 C ATOM 326 CE1 TYR A 19 -17.056 -9.642 -0.851 1.00 0.00 C ATOM 327 CE2 TYR A 19 -16.444 -8.374 1.076 1.00 0.00 C ATOM 328 CZ TYR A 19 -17.125 -9.421 0.506 1.00 0.00 C ATOM 329 OH TYR A 19 -17.865 -10.269 1.300 1.00 0.00 O ATOM 0 H TYR A 19 -13.452 -5.369 -3.249 1.00 0.00 H new ATOM 0 HA TYR A 19 -16.201 -6.065 -3.329 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.250 -7.483 -2.691 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.947 -6.445 -1.312 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -16.257 -8.973 -2.703 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -15.146 -6.726 0.738 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -17.589 -10.470 -1.295 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -16.503 -8.204 2.141 1.00 0.00 H new ATOM 0 HH TYR A 19 -17.809 -9.975 2.233 1.00 0.00 H new ATOM 339 N LEU A 20 -15.289 -4.016 -0.906 1.00 0.00 N ATOM 340 CA LEU A 20 -15.780 -3.089 0.119 1.00 0.00 C ATOM 341 C LEU A 20 -16.538 -1.895 -0.484 1.00 0.00 C ATOM 342 O LEU A 20 -17.508 -1.408 0.104 1.00 0.00 O ATOM 343 CB LEU A 20 -14.628 -2.615 1.011 1.00 0.00 C ATOM 344 CG LEU A 20 -13.893 -3.717 1.794 1.00 0.00 C ATOM 345 CD1 LEU A 20 -12.706 -3.146 2.536 1.00 0.00 C ATOM 346 CD2 LEU A 20 -14.832 -4.420 2.764 1.00 0.00 C ATOM 0 H LEU A 20 -14.272 -4.061 -0.970 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.496 -3.636 0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.902 -2.092 0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.019 -1.889 1.723 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.533 -4.452 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.201 -3.942 3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.013 -2.699 1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.047 -2.385 3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.285 -5.194 3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.231 -3.695 3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.653 -4.875 2.210 1.00 0.00 H new ATOM 358 N VAL A 21 -16.101 -1.438 -1.645 1.00 0.00 N ATOM 359 CA VAL A 21 -16.757 -0.347 -2.359 1.00 0.00 C ATOM 360 C VAL A 21 -18.179 -0.752 -2.732 1.00 0.00 C ATOM 361 O VAL A 21 -19.132 0.006 -2.506 1.00 0.00 O ATOM 362 CB VAL A 21 -15.960 0.085 -3.639 1.00 0.00 C ATOM 363 CG1 VAL A 21 -16.733 1.100 -4.455 1.00 0.00 C ATOM 364 CG2 VAL A 21 -14.617 0.686 -3.256 1.00 0.00 C ATOM 0 H VAL A 21 -15.281 -1.811 -2.123 1.00 0.00 H new ATOM 0 HA VAL A 21 -16.786 0.514 -1.692 1.00 0.00 H new ATOM 0 HB VAL A 21 -15.807 -0.812 -4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -16.152 1.378 -5.335 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -17.683 0.667 -4.769 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -16.921 1.987 -3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -14.079 0.979 -4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -14.776 1.562 -2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.031 -0.052 -2.708 1.00 0.00 H new ATOM 374 N GLU A 22 -18.324 -1.957 -3.246 1.00 0.00 N ATOM 375 CA GLU A 22 -19.623 -2.469 -3.634 1.00 0.00 C ATOM 376 C GLU A 22 -20.490 -2.685 -2.400 1.00 0.00 C ATOM 377 O GLU A 22 -21.651 -2.281 -2.355 1.00 0.00 O ATOM 378 CB GLU A 22 -19.480 -3.794 -4.384 1.00 0.00 C ATOM 379 CG GLU A 22 -18.604 -3.733 -5.620 1.00 0.00 C ATOM 380 CD GLU A 22 -19.053 -2.699 -6.611 1.00 0.00 C ATOM 381 OE1 GLU A 22 -20.158 -2.844 -7.182 1.00 0.00 O ATOM 382 OE2 GLU A 22 -18.298 -1.743 -6.877 1.00 0.00 O ATOM 0 H GLU A 22 -17.552 -2.604 -3.406 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.093 -1.737 -4.290 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -19.071 -4.539 -3.702 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.472 -4.139 -4.675 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.578 -3.519 -5.320 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.598 -4.711 -6.102 1.00 0.00 H new ATOM 389 N LYS A 23 -19.898 -3.294 -1.395 1.00 0.00 N ATOM 390 CA LYS A 23 -20.556 -3.641 -0.176 1.00 0.00 C ATOM 391 C LYS A 23 -21.016 -2.412 0.641 1.00 0.00 C ATOM 392 O LYS A 23 -22.170 -2.344 1.057 1.00 0.00 O ATOM 393 CB LYS A 23 -19.585 -4.502 0.626 1.00 0.00 C ATOM 394 CG LYS A 23 -20.028 -4.888 2.005 1.00 0.00 C ATOM 395 CD LYS A 23 -21.254 -5.772 2.009 1.00 0.00 C ATOM 396 CE LYS A 23 -21.700 -6.104 3.431 1.00 0.00 C ATOM 397 NZ LYS A 23 -20.644 -6.790 4.231 1.00 0.00 N ATOM 0 H LYS A 23 -18.915 -3.565 -1.415 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.473 -4.184 -0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.388 -5.413 0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -18.639 -3.967 0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -19.213 -5.406 2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -20.237 -3.985 2.579 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -22.065 -5.273 1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -21.041 -6.694 1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -21.991 -5.184 3.938 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -22.585 -6.739 3.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.087 -7.481 4.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -19.988 -7.281 3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -20.120 -6.087 4.790 1.00 0.00 H new ATOM 411 N TYR A 24 -20.145 -1.440 0.841 1.00 0.00 N ATOM 412 CA TYR A 24 -20.492 -0.328 1.718 1.00 0.00 C ATOM 413 C TYR A 24 -20.810 0.966 0.988 1.00 0.00 C ATOM 414 O TYR A 24 -21.004 2.004 1.616 1.00 0.00 O ATOM 415 CB TYR A 24 -19.453 -0.142 2.831 1.00 0.00 C ATOM 416 CG TYR A 24 -19.331 -1.377 3.688 1.00 0.00 C ATOM 417 CD1 TYR A 24 -20.388 -1.784 4.494 1.00 0.00 C ATOM 418 CD2 TYR A 24 -18.190 -2.166 3.655 1.00 0.00 C ATOM 419 CE1 TYR A 24 -20.316 -2.941 5.234 1.00 0.00 C ATOM 420 CE2 TYR A 24 -18.105 -3.319 4.407 1.00 0.00 C ATOM 421 CZ TYR A 24 -19.175 -3.704 5.189 1.00 0.00 C ATOM 422 OH TYR A 24 -19.115 -4.882 5.896 1.00 0.00 O ATOM 0 H TYR A 24 -19.216 -1.393 0.423 1.00 0.00 H new ATOM 0 HA TYR A 24 -21.432 -0.608 2.193 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -18.484 0.093 2.390 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -19.734 0.707 3.454 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -21.282 -1.180 4.540 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -17.358 -1.873 3.032 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -21.151 -3.247 5.846 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -17.206 -3.917 4.384 1.00 0.00 H new ATOM 0 HH TYR A 24 -18.241 -5.302 5.758 1.00 0.00 H new ATOM 432 N GLY A 25 -20.846 0.917 -0.320 1.00 0.00 N ATOM 433 CA GLY A 25 -21.342 2.051 -1.091 1.00 0.00 C ATOM 434 C GLY A 25 -20.350 3.162 -1.282 1.00 0.00 C ATOM 435 O GLY A 25 -20.722 4.256 -1.708 1.00 0.00 O ATOM 0 H GLY A 25 -20.544 0.118 -0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -21.661 1.695 -2.070 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -22.225 2.452 -0.594 1.00 0.00 H new ATOM 439 N PHE A 26 -19.105 2.888 -0.943 1.00 0.00 N ATOM 440 CA PHE A 26 -17.964 3.811 -1.087 1.00 0.00 C ATOM 441 C PHE A 26 -17.996 5.004 -0.115 1.00 0.00 C ATOM 442 O PHE A 26 -17.013 5.279 0.559 1.00 0.00 O ATOM 443 CB PHE A 26 -17.776 4.303 -2.536 1.00 0.00 C ATOM 444 CG PHE A 26 -16.516 5.104 -2.739 1.00 0.00 C ATOM 445 CD1 PHE A 26 -15.277 4.507 -2.582 1.00 0.00 C ATOM 446 CD2 PHE A 26 -16.569 6.444 -3.084 1.00 0.00 C ATOM 447 CE1 PHE A 26 -14.114 5.229 -2.761 1.00 0.00 C ATOM 448 CE2 PHE A 26 -15.407 7.172 -3.267 1.00 0.00 C ATOM 449 CZ PHE A 26 -14.179 6.562 -3.105 1.00 0.00 C ATOM 0 H PHE A 26 -18.837 1.988 -0.544 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.098 3.208 -0.816 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -17.762 3.442 -3.205 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.634 4.912 -2.819 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.219 3.462 -2.316 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -17.527 6.926 -3.212 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.155 4.750 -2.632 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -15.460 8.217 -3.536 1.00 0.00 H new ATOM 0 HZ PHE A 26 -13.271 7.129 -3.248 1.00 0.00 H new ATOM 459 N THR A 27 -19.123 5.678 -0.040 1.00 0.00 N ATOM 460 CA THR A 27 -19.279 6.885 0.745 1.00 0.00 C ATOM 461 C THR A 27 -19.199 6.645 2.256 1.00 0.00 C ATOM 462 O THR A 27 -19.092 7.597 3.038 1.00 0.00 O ATOM 463 CB THR A 27 -20.578 7.605 0.361 1.00 0.00 C ATOM 464 OG1 THR A 27 -21.661 6.657 0.331 1.00 0.00 O ATOM 465 CG2 THR A 27 -20.437 8.244 -1.007 1.00 0.00 C ATOM 0 H THR A 27 -19.972 5.398 -0.531 1.00 0.00 H new ATOM 0 HA THR A 27 -18.432 7.527 0.506 1.00 0.00 H new ATOM 0 HB THR A 27 -20.784 8.380 1.099 1.00 0.00 H new ATOM 0 HG1 THR A 27 -22.491 7.117 0.087 1.00 0.00 H new ATOM 0 HG21 THR A 27 -21.365 8.752 -1.269 1.00 0.00 H new ATOM 0 HG22 THR A 27 -19.621 8.966 -0.989 1.00 0.00 H new ATOM 0 HG23 THR A 27 -20.224 7.474 -1.748 1.00 0.00 H new ATOM 473 N HIS A 28 -19.268 5.388 2.660 1.00 0.00 N ATOM 474 CA HIS A 28 -19.075 5.013 4.041 1.00 0.00 C ATOM 475 C HIS A 28 -17.631 5.368 4.417 1.00 0.00 C ATOM 476 O HIS A 28 -16.690 4.935 3.748 1.00 0.00 O ATOM 477 CB HIS A 28 -19.373 3.509 4.211 1.00 0.00 C ATOM 478 CG HIS A 28 -19.207 2.974 5.603 1.00 0.00 C ATOM 479 ND1 HIS A 28 -20.158 3.079 6.597 1.00 0.00 N ATOM 480 CD2 HIS A 28 -18.168 2.310 6.151 1.00 0.00 C ATOM 481 CE1 HIS A 28 -19.672 2.490 7.692 1.00 0.00 C ATOM 482 NE2 HIS A 28 -18.462 2.005 7.472 1.00 0.00 N ATOM 0 H HIS A 28 -19.459 4.603 2.037 1.00 0.00 H new ATOM 0 HA HIS A 28 -19.754 5.548 4.705 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -20.396 3.320 3.887 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -18.718 2.948 3.544 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -17.251 2.056 5.641 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -20.198 2.419 8.633 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -17.868 1.509 8.136 1.00 0.00 H new ATOM 490 N HIS A 29 -17.471 6.152 5.473 1.00 0.00 N ATOM 491 CA HIS A 29 -16.173 6.740 5.839 1.00 0.00 C ATOM 492 C HIS A 29 -15.051 5.703 6.025 1.00 0.00 C ATOM 493 O HIS A 29 -13.893 5.988 5.710 1.00 0.00 O ATOM 494 CB HIS A 29 -16.307 7.678 7.053 1.00 0.00 C ATOM 495 CG HIS A 29 -15.066 8.464 7.370 1.00 0.00 C ATOM 496 ND1 HIS A 29 -14.400 8.401 8.570 1.00 0.00 N ATOM 497 CD2 HIS A 29 -14.392 9.368 6.618 1.00 0.00 C ATOM 498 CE1 HIS A 29 -13.376 9.245 8.518 1.00 0.00 C ATOM 499 NE2 HIS A 29 -13.321 9.862 7.348 1.00 0.00 N ATOM 0 H HIS A 29 -18.231 6.404 6.105 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.862 7.341 4.984 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -17.126 8.373 6.871 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -16.580 7.086 7.926 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -14.648 9.658 5.610 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -12.678 9.407 9.326 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -12.636 10.555 7.047 1.00 0.00 H new ATOM 507 N LYS A 30 -15.380 4.508 6.490 1.00 0.00 N ATOM 508 CA LYS A 30 -14.359 3.475 6.615 1.00 0.00 C ATOM 509 C LYS A 30 -13.796 3.063 5.260 1.00 0.00 C ATOM 510 O LYS A 30 -12.609 2.804 5.148 1.00 0.00 O ATOM 511 CB LYS A 30 -14.820 2.260 7.421 1.00 0.00 C ATOM 512 CG LYS A 30 -15.028 2.532 8.900 1.00 0.00 C ATOM 513 CD LYS A 30 -13.749 3.056 9.550 1.00 0.00 C ATOM 514 CE LYS A 30 -13.895 3.200 11.055 1.00 0.00 C ATOM 515 NZ LYS A 30 -14.090 1.899 11.719 1.00 0.00 N ATOM 0 H LYS A 30 -16.318 4.232 6.780 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.551 3.930 7.187 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.754 1.891 6.997 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.083 1.465 7.310 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.829 3.259 9.030 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.345 1.617 9.400 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.925 2.377 9.329 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.491 4.022 9.116 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.007 3.684 11.460 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.741 3.850 11.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.949 2.008 12.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.055 1.557 11.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.404 1.212 11.346 1.00 0.00 H new ATOM 529 N VAL A 31 -14.622 3.088 4.222 1.00 0.00 N ATOM 530 CA VAL A 31 -14.160 2.739 2.880 1.00 0.00 C ATOM 531 C VAL A 31 -13.195 3.819 2.406 1.00 0.00 C ATOM 532 O VAL A 31 -12.147 3.532 1.808 1.00 0.00 O ATOM 533 CB VAL A 31 -15.330 2.585 1.867 1.00 0.00 C ATOM 534 CG1 VAL A 31 -14.816 2.146 0.500 1.00 0.00 C ATOM 535 CG2 VAL A 31 -16.362 1.599 2.378 1.00 0.00 C ATOM 0 H VAL A 31 -15.608 3.344 4.280 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.663 1.770 2.930 1.00 0.00 H new ATOM 0 HB VAL A 31 -15.805 3.560 1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.655 2.046 -0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.119 2.891 0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -14.307 1.187 0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -17.170 1.509 1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -15.894 0.625 2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.765 1.953 3.327 1.00 0.00 H new ATOM 545 N ILE A 32 -13.525 5.059 2.739 1.00 0.00 N ATOM 546 CA ILE A 32 -12.674 6.200 2.440 1.00 0.00 C ATOM 547 C ILE A 32 -11.339 6.051 3.204 1.00 0.00 C ATOM 548 O ILE A 32 -10.263 6.360 2.683 1.00 0.00 O ATOM 549 CB ILE A 32 -13.369 7.535 2.841 1.00 0.00 C ATOM 550 CG1 ILE A 32 -14.733 7.653 2.133 1.00 0.00 C ATOM 551 CG2 ILE A 32 -12.481 8.737 2.504 1.00 0.00 C ATOM 552 CD1 ILE A 32 -15.526 8.891 2.507 1.00 0.00 C ATOM 0 H ILE A 32 -14.389 5.301 3.223 1.00 0.00 H new ATOM 0 HA ILE A 32 -12.486 6.227 1.367 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.531 7.530 3.919 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.571 7.652 1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.328 6.770 2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.989 9.657 2.794 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.539 8.657 3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.283 8.754 1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -16.471 8.895 1.964 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.723 8.887 3.579 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.954 9.782 2.247 1.00 0.00 H new ATOM 564 N SER A 33 -11.424 5.543 4.420 1.00 0.00 N ATOM 565 CA SER A 33 -10.265 5.297 5.245 1.00 0.00 C ATOM 566 C SER A 33 -9.380 4.219 4.591 1.00 0.00 C ATOM 567 O SER A 33 -8.166 4.395 4.464 1.00 0.00 O ATOM 568 CB SER A 33 -10.714 4.865 6.654 1.00 0.00 C ATOM 569 OG SER A 33 -9.627 4.763 7.552 1.00 0.00 O ATOM 0 H SER A 33 -12.307 5.289 4.862 1.00 0.00 H new ATOM 0 HA SER A 33 -9.678 6.211 5.337 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.436 5.585 7.040 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.224 3.904 6.592 1.00 0.00 H new ATOM 0 HG SER A 33 -9.956 4.489 8.434 1.00 0.00 H new ATOM 575 N PHE A 34 -10.007 3.135 4.114 1.00 0.00 N ATOM 576 CA PHE A 34 -9.276 2.046 3.464 1.00 0.00 C ATOM 577 C PHE A 34 -8.615 2.540 2.177 1.00 0.00 C ATOM 578 O PHE A 34 -7.528 2.087 1.811 1.00 0.00 O ATOM 579 CB PHE A 34 -10.192 0.848 3.150 1.00 0.00 C ATOM 580 CG PHE A 34 -10.959 0.296 4.324 1.00 0.00 C ATOM 581 CD1 PHE A 34 -10.395 0.225 5.590 1.00 0.00 C ATOM 582 CD2 PHE A 34 -12.261 -0.133 4.156 1.00 0.00 C ATOM 583 CE1 PHE A 34 -11.121 -0.268 6.659 1.00 0.00 C ATOM 584 CE2 PHE A 34 -12.990 -0.625 5.217 1.00 0.00 C ATOM 585 CZ PHE A 34 -12.420 -0.692 6.473 1.00 0.00 C ATOM 0 H PHE A 34 -11.015 2.992 4.167 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.509 1.710 4.162 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -10.904 1.148 2.381 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.584 0.049 2.727 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -9.379 0.558 5.742 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.715 -0.082 3.177 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -10.671 -0.321 7.639 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.006 -0.958 5.066 1.00 0.00 H new ATOM 0 HZ PHE A 34 -12.990 -1.075 7.307 1.00 0.00 H new ATOM 595 N SER A 35 -9.271 3.474 1.512 1.00 0.00 N ATOM 596 CA SER A 35 -8.748 4.074 0.299 1.00 0.00 C ATOM 597 C SER A 35 -7.467 4.852 0.606 1.00 0.00 C ATOM 598 O SER A 35 -6.472 4.750 -0.116 1.00 0.00 O ATOM 599 CB SER A 35 -9.810 4.975 -0.334 1.00 0.00 C ATOM 600 OG SER A 35 -11.000 4.240 -0.596 1.00 0.00 O ATOM 0 H SER A 35 -10.180 3.837 1.798 1.00 0.00 H new ATOM 0 HA SER A 35 -8.499 3.290 -0.416 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.031 5.809 0.332 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.427 5.401 -1.262 1.00 0.00 H new ATOM 0 HG SER A 35 -11.500 4.118 0.238 1.00 0.00 H new ATOM 606 N GLN A 36 -7.478 5.568 1.714 1.00 0.00 N ATOM 607 CA GLN A 36 -6.327 6.341 2.137 1.00 0.00 C ATOM 608 C GLN A 36 -5.221 5.416 2.627 1.00 0.00 C ATOM 609 O GLN A 36 -4.037 5.719 2.479 1.00 0.00 O ATOM 610 CB GLN A 36 -6.729 7.336 3.215 1.00 0.00 C ATOM 611 CG GLN A 36 -7.730 8.366 2.734 1.00 0.00 C ATOM 612 CD GLN A 36 -8.201 9.277 3.832 1.00 0.00 C ATOM 613 OE1 GLN A 36 -7.603 10.317 4.085 1.00 0.00 O ATOM 614 NE2 GLN A 36 -9.278 8.914 4.468 1.00 0.00 N ATOM 0 H GLN A 36 -8.279 5.630 2.342 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.944 6.902 1.285 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.153 6.794 4.060 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.838 7.847 3.579 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.278 8.963 1.942 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.589 7.856 2.298 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.744 8.040 4.225 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.656 9.504 5.209 1.00 0.00 H new ATOM 623 N GLU A 37 -5.622 4.289 3.186 1.00 0.00 N ATOM 624 CA GLU A 37 -4.703 3.264 3.659 1.00 0.00 C ATOM 625 C GLU A 37 -3.948 2.649 2.467 1.00 0.00 C ATOM 626 O GLU A 37 -2.720 2.477 2.509 1.00 0.00 O ATOM 627 CB GLU A 37 -5.491 2.198 4.435 1.00 0.00 C ATOM 628 CG GLU A 37 -4.662 1.060 5.002 1.00 0.00 C ATOM 629 CD GLU A 37 -5.494 0.102 5.817 1.00 0.00 C ATOM 630 OE1 GLU A 37 -6.112 -0.827 5.243 1.00 0.00 O ATOM 631 OE2 GLU A 37 -5.556 0.251 7.041 1.00 0.00 O ATOM 0 H GLU A 37 -6.605 4.055 3.327 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.965 3.704 4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.018 2.685 5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.249 1.778 3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.183 0.519 4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.866 1.468 5.625 1.00 0.00 H new ATOM 638 N LEU A 38 -4.688 2.364 1.395 1.00 0.00 N ATOM 639 CA LEU A 38 -4.103 1.821 0.170 1.00 0.00 C ATOM 640 C LEU A 38 -3.153 2.853 -0.408 1.00 0.00 C ATOM 641 O LEU A 38 -2.041 2.527 -0.803 1.00 0.00 O ATOM 642 CB LEU A 38 -5.223 1.454 -0.843 1.00 0.00 C ATOM 643 CG LEU A 38 -4.824 0.666 -2.128 1.00 0.00 C ATOM 644 CD1 LEU A 38 -6.059 0.116 -2.784 1.00 0.00 C ATOM 645 CD2 LEU A 38 -4.092 1.539 -3.148 1.00 0.00 C ATOM 0 H LEU A 38 -5.698 2.501 1.351 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.549 0.908 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.973 0.868 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.705 2.380 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.151 -0.132 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.779 -0.435 -3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.571 -0.553 -2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.724 0.937 -3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.837 0.941 -4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.736 2.365 -3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.180 1.934 -2.701 1.00 0.00 H new ATOM 657 N ASP A 39 -3.600 4.101 -0.416 1.00 0.00 N ATOM 658 CA ASP A 39 -2.811 5.228 -0.913 1.00 0.00 C ATOM 659 C ASP A 39 -1.462 5.329 -0.201 1.00 0.00 C ATOM 660 O ASP A 39 -0.461 5.633 -0.821 1.00 0.00 O ATOM 661 CB ASP A 39 -3.594 6.536 -0.770 1.00 0.00 C ATOM 662 CG ASP A 39 -2.805 7.755 -1.194 1.00 0.00 C ATOM 663 OD1 ASP A 39 -2.751 8.059 -2.409 1.00 0.00 O ATOM 664 OD2 ASP A 39 -2.243 8.455 -0.307 1.00 0.00 O ATOM 0 H ASP A 39 -4.525 4.365 -0.077 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.613 5.052 -1.970 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.503 6.474 -1.368 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.903 6.655 0.269 1.00 0.00 H new ATOM 669 N ARG A 40 -1.443 5.020 1.093 1.00 0.00 N ATOM 670 CA ARG A 40 -0.200 5.043 1.881 1.00 0.00 C ATOM 671 C ARG A 40 0.788 4.012 1.345 1.00 0.00 C ATOM 672 O ARG A 40 1.975 4.311 1.149 1.00 0.00 O ATOM 673 CB ARG A 40 -0.482 4.761 3.361 1.00 0.00 C ATOM 674 CG ARG A 40 -1.368 5.790 4.031 1.00 0.00 C ATOM 675 CD ARG A 40 -1.686 5.405 5.463 1.00 0.00 C ATOM 676 NE ARG A 40 -2.605 6.366 6.087 1.00 0.00 N ATOM 677 CZ ARG A 40 -3.294 6.159 7.217 1.00 0.00 C ATOM 678 NH1 ARG A 40 -3.163 5.016 7.893 1.00 0.00 N ATOM 679 NH2 ARG A 40 -4.108 7.102 7.674 1.00 0.00 N ATOM 0 H ARG A 40 -2.271 4.750 1.624 1.00 0.00 H new ATOM 0 HA ARG A 40 0.233 6.039 1.791 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.951 3.781 3.450 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.466 4.710 3.897 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.874 6.761 4.016 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.295 5.895 3.467 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.130 4.410 5.483 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.763 5.354 6.041 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.729 7.265 5.622 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.534 4.290 7.550 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.692 4.868 8.752 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.207 7.980 7.165 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.634 6.948 8.534 1.00 0.00 H new ATOM 693 N LEU A 41 0.281 2.811 1.082 1.00 0.00 N ATOM 694 CA LEU A 41 1.097 1.713 0.561 1.00 0.00 C ATOM 695 C LEU A 41 1.526 2.017 -0.875 1.00 0.00 C ATOM 696 O LEU A 41 2.668 1.785 -1.264 1.00 0.00 O ATOM 697 CB LEU A 41 0.305 0.400 0.599 1.00 0.00 C ATOM 698 CG LEU A 41 -0.185 -0.065 1.975 1.00 0.00 C ATOM 699 CD1 LEU A 41 -1.022 -1.327 1.839 1.00 0.00 C ATOM 700 CD2 LEU A 41 0.989 -0.307 2.918 1.00 0.00 C ATOM 0 H LEU A 41 -0.700 2.570 1.222 1.00 0.00 H new ATOM 0 HA LEU A 41 1.984 1.609 1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.562 0.506 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.929 -0.387 0.175 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.806 0.724 2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.363 -1.645 2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.885 -1.125 1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.419 -2.117 1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.615 -0.636 3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.639 -1.076 2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.553 0.617 3.041 1.00 0.00 H new ATOM 712 N LEU A 42 0.593 2.544 -1.644 1.00 0.00 N ATOM 713 CA LEU A 42 0.816 2.928 -3.032 1.00 0.00 C ATOM 714 C LEU A 42 1.885 4.005 -3.123 1.00 0.00 C ATOM 715 O LEU A 42 2.759 3.968 -3.999 1.00 0.00 O ATOM 716 CB LEU A 42 -0.485 3.455 -3.620 1.00 0.00 C ATOM 717 CG LEU A 42 -0.427 3.999 -5.043 1.00 0.00 C ATOM 718 CD1 LEU A 42 -0.175 2.890 -6.056 1.00 0.00 C ATOM 719 CD2 LEU A 42 -1.693 4.765 -5.357 1.00 0.00 C ATOM 0 H LEU A 42 -0.358 2.722 -1.320 1.00 0.00 H new ATOM 0 HA LEU A 42 1.152 2.055 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.220 2.650 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.856 4.247 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 42 0.416 4.686 -5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.140 3.315 -7.059 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.775 2.404 -5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.980 2.157 -6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.642 5.150 -6.376 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.553 4.102 -5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.798 5.596 -4.660 1.00 0.00 H new ATOM 731 N ASN A 43 1.822 4.942 -2.196 1.00 0.00 N ATOM 732 CA ASN A 43 2.747 6.057 -2.133 1.00 0.00 C ATOM 733 C ASN A 43 4.156 5.561 -1.875 1.00 0.00 C ATOM 734 O ASN A 43 5.120 6.189 -2.266 1.00 0.00 O ATOM 735 CB ASN A 43 2.322 7.057 -1.053 1.00 0.00 C ATOM 736 CG ASN A 43 3.072 8.370 -1.134 1.00 0.00 C ATOM 737 OD1 ASN A 43 4.124 8.557 -0.520 1.00 0.00 O ATOM 738 ND2 ASN A 43 2.528 9.292 -1.883 1.00 0.00 N ATOM 0 H ASN A 43 1.119 4.950 -1.457 1.00 0.00 H new ATOM 0 HA ASN A 43 2.731 6.570 -3.095 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.253 7.249 -1.144 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.483 6.613 -0.071 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.975 10.204 -1.975 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.656 9.100 -2.376 1.00 0.00 H new ATOM 745 N LEU A 44 4.267 4.400 -1.257 1.00 0.00 N ATOM 746 CA LEU A 44 5.556 3.798 -1.014 1.00 0.00 C ATOM 747 C LEU A 44 6.192 3.334 -2.334 1.00 0.00 C ATOM 748 O LEU A 44 7.393 3.450 -2.519 1.00 0.00 O ATOM 749 CB LEU A 44 5.456 2.658 0.000 1.00 0.00 C ATOM 750 CG LEU A 44 5.018 3.048 1.416 1.00 0.00 C ATOM 751 CD1 LEU A 44 4.873 1.811 2.283 1.00 0.00 C ATOM 752 CD2 LEU A 44 6.015 4.012 2.040 1.00 0.00 C ATOM 0 H LEU A 44 3.475 3.857 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 44 6.209 4.554 -0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.754 1.918 -0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.429 2.170 0.064 1.00 0.00 H new ATOM 0 HG LEU A 44 4.051 3.546 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.561 2.104 3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.124 1.148 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.829 1.291 2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.685 4.276 3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.995 3.538 2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.080 4.913 1.431 1.00 0.00 H new ATOM 764 N LEU A 45 5.376 2.855 -3.275 1.00 0.00 N ATOM 765 CA LEU A 45 5.895 2.493 -4.603 1.00 0.00 C ATOM 766 C LEU A 45 6.342 3.746 -5.330 1.00 0.00 C ATOM 767 O LEU A 45 7.340 3.743 -6.060 1.00 0.00 O ATOM 768 CB LEU A 45 4.857 1.763 -5.464 1.00 0.00 C ATOM 769 CG LEU A 45 4.425 0.367 -5.026 1.00 0.00 C ATOM 770 CD1 LEU A 45 3.394 -0.169 -6.004 1.00 0.00 C ATOM 771 CD2 LEU A 45 5.624 -0.576 -4.960 1.00 0.00 C ATOM 0 H LEU A 45 4.374 2.710 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 45 6.732 1.813 -4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.966 2.388 -5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.254 1.689 -6.476 1.00 0.00 H new ATOM 0 HG LEU A 45 3.988 0.429 -4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.083 -1.167 -5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.528 0.493 -6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.830 -0.218 -7.002 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.292 -1.565 -4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.088 -0.645 -5.944 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.350 -0.192 -4.243 1.00 0.00 H new ATOM 783 N ILE A 46 5.586 4.815 -5.129 1.00 0.00 N ATOM 784 CA ILE A 46 5.894 6.117 -5.689 1.00 0.00 C ATOM 785 C ILE A 46 7.219 6.618 -5.097 1.00 0.00 C ATOM 786 O ILE A 46 8.082 7.159 -5.807 1.00 0.00 O ATOM 787 CB ILE A 46 4.747 7.126 -5.380 1.00 0.00 C ATOM 788 CG1 ILE A 46 3.423 6.623 -5.984 1.00 0.00 C ATOM 789 CG2 ILE A 46 5.081 8.515 -5.899 1.00 0.00 C ATOM 790 CD1 ILE A 46 2.227 7.516 -5.722 1.00 0.00 C ATOM 0 H ILE A 46 4.735 4.800 -4.567 1.00 0.00 H new ATOM 0 HA ILE A 46 5.989 6.032 -6.772 1.00 0.00 H new ATOM 0 HB ILE A 46 4.636 7.196 -4.298 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.549 6.515 -7.061 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.212 5.630 -5.586 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.262 9.196 -5.668 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.994 8.871 -5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.226 8.475 -6.979 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.341 7.082 -6.185 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.068 7.606 -4.647 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.411 8.504 -6.145 1.00 0.00 H new ATOM 802 N GLU A 47 7.374 6.387 -3.805 1.00 0.00 N ATOM 803 CA GLU A 47 8.563 6.732 -3.056 1.00 0.00 C ATOM 804 C GLU A 47 9.793 6.072 -3.688 1.00 0.00 C ATOM 805 O GLU A 47 10.764 6.741 -3.989 1.00 0.00 O ATOM 806 CB GLU A 47 8.417 6.262 -1.604 1.00 0.00 C ATOM 807 CG GLU A 47 9.491 6.767 -0.669 1.00 0.00 C ATOM 808 CD GLU A 47 9.344 8.237 -0.375 1.00 0.00 C ATOM 809 OE1 GLU A 47 9.598 9.077 -1.258 1.00 0.00 O ATOM 810 OE2 GLU A 47 8.960 8.582 0.764 1.00 0.00 O ATOM 0 H GLU A 47 6.655 5.942 -3.235 1.00 0.00 H new ATOM 0 HA GLU A 47 8.690 7.814 -3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.446 6.583 -1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.421 5.172 -1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.451 6.206 0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.471 6.583 -1.110 1.00 0.00 H new