USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 MET CE :methyl -172:sc= -0.166 (180deg=-0.228) USER MOD Single : A 12 GLN : amide:sc= -0.0529 X(o=-0.053,f=-0.22) USER MOD Single : A 16 ASN : amide:sc= -0.104 K(o=-0.1,f=-2.2!) USER MOD Single : A 17 GLN : amide:sc= 0.533 K(o=0.53,f=-2.8!) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 23 LYS NZ :NH3+ 157:sc= -0.0502 (180deg=-0.104) USER MOD Single : A 28 GLN : amide:sc= -0.591! X(o=-0.59!,f=-0.19) USER MOD Single : A 29 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.18) USER MOD Single : A 33 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.53) USER MOD Single : A 36 ASN : amide:sc= -1.38 K(o=-1.4,f=-5.6!) USER MOD Single : A 38 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00267) USER MOD Single : A 40 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000932) USER MOD Single : A 61 ASN : amide:sc= 0.15 X(o=0.15,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 2 -6.755 -1.046 6.783 1.00 0.00 N ATOM 38 CA MET A 2 -5.886 -0.711 5.660 1.00 0.00 C ATOM 39 C MET A 2 -4.428 -0.950 5.990 1.00 0.00 C ATOM 40 O MET A 2 -3.754 -1.613 5.210 1.00 0.00 O ATOM 41 CB MET A 2 -6.021 0.773 5.264 1.00 0.00 C ATOM 42 CG MET A 2 -6.982 1.073 4.121 1.00 0.00 C ATOM 43 SD MET A 2 -7.399 2.832 4.037 1.00 0.00 S ATOM 44 CE MET A 2 -7.979 2.882 2.333 1.00 0.00 C ATOM 0 HA MET A 2 -6.200 -1.356 4.840 1.00 0.00 H new ATOM 0 HB2 MET A 2 -6.343 1.335 6.141 1.00 0.00 H new ATOM 0 HB3 MET A 2 -5.034 1.147 4.991 1.00 0.00 H new ATOM 0 HG2 MET A 2 -6.534 0.760 3.178 1.00 0.00 H new ATOM 0 HG3 MET A 2 -7.893 0.489 4.250 1.00 0.00 H new ATOM 0 HE1 MET A 2 -8.152 3.917 2.038 1.00 0.00 H new ATOM 0 HE2 MET A 2 -7.227 2.439 1.680 1.00 0.00 H new ATOM 0 HE3 MET A 2 -8.909 2.320 2.249 1.00 0.00 H new ATOM 54 N GLY A 3 -3.937 -0.370 7.083 1.00 0.00 N ATOM 55 CA GLY A 3 -2.520 -0.396 7.387 1.00 0.00 C ATOM 56 C GLY A 3 -2.023 -1.833 7.489 1.00 0.00 C ATOM 57 O GLY A 3 -1.048 -2.218 6.844 1.00 0.00 O ATOM 0 H GLY A 3 -4.506 0.123 7.771 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.966 0.133 6.611 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.333 0.127 8.325 1.00 0.00 H new ATOM 61 N GLU A 4 -2.766 -2.650 8.233 1.00 0.00 N ATOM 62 CA GLU A 4 -2.471 -4.056 8.440 1.00 0.00 C ATOM 63 C GLU A 4 -2.591 -4.845 7.142 1.00 0.00 C ATOM 64 O GLU A 4 -1.751 -5.700 6.880 1.00 0.00 O ATOM 65 CB GLU A 4 -3.445 -4.638 9.472 1.00 0.00 C ATOM 66 CG GLU A 4 -3.437 -3.895 10.808 1.00 0.00 C ATOM 67 CD GLU A 4 -2.070 -3.939 11.487 1.00 0.00 C ATOM 68 OE1 GLU A 4 -1.761 -4.969 12.133 1.00 0.00 O ATOM 69 OE2 GLU A 4 -1.358 -2.913 11.465 1.00 0.00 O ATOM 0 H GLU A 4 -3.608 -2.340 8.718 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.445 -4.136 8.800 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.454 -4.616 9.060 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.194 -5.684 9.646 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.726 -2.857 10.646 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.183 -4.334 11.470 1.00 0.00 H new ATOM 76 N ARG A 5 -3.610 -4.560 6.327 1.00 0.00 N ATOM 77 CA ARG A 5 -3.806 -5.149 5.009 1.00 0.00 C ATOM 78 C ARG A 5 -2.596 -4.863 4.124 1.00 0.00 C ATOM 79 O ARG A 5 -2.073 -5.761 3.472 1.00 0.00 O ATOM 80 CB ARG A 5 -5.134 -4.622 4.415 1.00 0.00 C ATOM 81 CG ARG A 5 -5.145 -4.686 2.888 1.00 0.00 C ATOM 82 CD ARG A 5 -6.501 -4.670 2.183 1.00 0.00 C ATOM 83 NE ARG A 5 -7.586 -3.896 2.776 1.00 0.00 N ATOM 84 CZ ARG A 5 -7.701 -2.591 2.916 1.00 0.00 C ATOM 85 NH1 ARG A 5 -6.663 -1.818 2.617 1.00 0.00 N ATOM 86 NH2 ARG A 5 -8.874 -2.091 3.295 1.00 0.00 N ATOM 0 H ARG A 5 -4.340 -3.893 6.578 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.886 -6.234 5.078 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.965 -5.208 4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.291 -3.592 4.736 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.563 -3.844 2.513 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -4.622 -5.594 2.587 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.344 -4.298 1.171 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -6.840 -5.702 2.094 1.00 0.00 H new ATOM 0 HE ARG A 5 -8.368 -4.444 3.134 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -5.794 -2.237 2.285 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -6.735 -0.806 2.720 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.661 -2.715 3.471 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -8.986 -1.084 3.410 1.00 0.00 H new ATOM 100 N ILE A 6 -2.166 -3.608 4.051 1.00 0.00 N ATOM 101 CA ILE A 6 -1.055 -3.196 3.209 1.00 0.00 C ATOM 102 C ILE A 6 0.195 -3.920 3.704 1.00 0.00 C ATOM 103 O ILE A 6 0.896 -4.523 2.886 1.00 0.00 O ATOM 104 CB ILE A 6 -0.950 -1.656 3.210 1.00 0.00 C ATOM 105 CG1 ILE A 6 -2.186 -1.069 2.484 1.00 0.00 C ATOM 106 CG2 ILE A 6 0.329 -1.159 2.511 1.00 0.00 C ATOM 107 CD1 ILE A 6 -2.418 0.407 2.797 1.00 0.00 C ATOM 0 H ILE A 6 -2.584 -2.843 4.580 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.196 -3.473 2.164 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.910 -1.323 4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.060 -1.191 1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.071 -1.638 2.768 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.358 -0.070 2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.203 -1.558 3.026 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.332 -1.497 1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.298 0.759 2.259 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.574 0.532 3.869 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.548 0.986 2.488 1.00 0.00 H new ATOM 119 N ARG A 7 0.446 -3.921 5.019 1.00 0.00 N ATOM 120 CA ARG A 7 1.579 -4.639 5.589 1.00 0.00 C ATOM 121 C ARG A 7 1.510 -6.118 5.236 1.00 0.00 C ATOM 122 O ARG A 7 2.507 -6.686 4.795 1.00 0.00 O ATOM 123 CB ARG A 7 1.604 -4.411 7.108 1.00 0.00 C ATOM 124 CG ARG A 7 2.921 -4.829 7.755 1.00 0.00 C ATOM 125 CD ARG A 7 2.805 -6.173 8.474 1.00 0.00 C ATOM 126 NE ARG A 7 4.124 -6.762 8.715 1.00 0.00 N ATOM 127 CZ ARG A 7 5.069 -6.332 9.565 1.00 0.00 C ATOM 128 NH1 ARG A 7 4.881 -5.260 10.323 1.00 0.00 N ATOM 129 NH2 ARG A 7 6.230 -6.969 9.654 1.00 0.00 N ATOM 0 H ARG A 7 -0.126 -3.429 5.705 1.00 0.00 H new ATOM 0 HA ARG A 7 2.509 -4.258 5.167 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.424 -3.356 7.314 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.788 -4.969 7.567 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.696 -4.892 6.991 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.235 -4.064 8.465 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.286 -6.037 9.423 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.202 -6.857 7.876 1.00 0.00 H new ATOM 0 HE ARG A 7 4.351 -7.596 8.174 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.003 -4.743 10.267 1.00 0.00 H new ATOM 0 HH12 ARG A 7 5.614 -4.952 10.962 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.407 -7.790 9.075 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.945 -6.638 10.302 1.00 0.00 H new ATOM 143 N ALA A 8 0.335 -6.730 5.390 1.00 0.00 N ATOM 144 CA ALA A 8 0.093 -8.129 5.089 1.00 0.00 C ATOM 145 C ALA A 8 0.504 -8.418 3.655 1.00 0.00 C ATOM 146 O ALA A 8 1.362 -9.270 3.437 1.00 0.00 O ATOM 147 CB ALA A 8 -1.371 -8.520 5.343 1.00 0.00 C ATOM 0 H ALA A 8 -0.493 -6.247 5.738 1.00 0.00 H new ATOM 0 HA ALA A 8 0.698 -8.739 5.760 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.512 -9.575 5.106 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.617 -8.347 6.391 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.024 -7.916 4.713 1.00 0.00 H new ATOM 153 N ARG A 9 -0.045 -7.679 2.690 1.00 0.00 N ATOM 154 CA ARG A 9 0.178 -7.924 1.272 1.00 0.00 C ATOM 155 C ARG A 9 1.647 -7.706 0.923 1.00 0.00 C ATOM 156 O ARG A 9 2.194 -8.420 0.083 1.00 0.00 O ATOM 157 CB ARG A 9 -0.738 -7.002 0.457 1.00 0.00 C ATOM 158 CG ARG A 9 -1.276 -7.592 -0.857 1.00 0.00 C ATOM 159 CD ARG A 9 -0.205 -8.217 -1.755 1.00 0.00 C ATOM 160 NE ARG A 9 -0.644 -8.288 -3.150 1.00 0.00 N ATOM 161 CZ ARG A 9 -0.203 -9.203 -4.024 1.00 0.00 C ATOM 162 NH1 ARG A 9 0.869 -9.934 -3.732 1.00 0.00 N ATOM 163 NH2 ARG A 9 -0.817 -9.395 -5.186 1.00 0.00 N ATOM 0 H ARG A 9 -0.661 -6.888 2.876 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.063 -8.959 1.029 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.586 -6.718 1.081 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.191 -6.088 0.227 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.023 -8.350 -0.622 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.785 -6.805 -1.413 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.712 -7.630 -1.691 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.032 -9.219 -1.396 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.325 -7.601 -3.475 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.353 -9.797 -2.845 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.207 -10.631 -4.395 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.639 -8.841 -5.426 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.466 -10.096 -5.838 1.00 0.00 H new ATOM 177 N ARG A 10 2.308 -6.724 1.542 1.00 0.00 N ATOM 178 CA ARG A 10 3.732 -6.526 1.322 1.00 0.00 C ATOM 179 C ARG A 10 4.514 -7.770 1.735 1.00 0.00 C ATOM 180 O ARG A 10 5.355 -8.237 0.972 1.00 0.00 O ATOM 181 CB ARG A 10 4.255 -5.295 2.073 1.00 0.00 C ATOM 182 CG ARG A 10 5.354 -4.647 1.213 1.00 0.00 C ATOM 183 CD ARG A 10 5.859 -3.301 1.727 1.00 0.00 C ATOM 184 NE ARG A 10 5.649 -3.160 3.161 1.00 0.00 N ATOM 185 CZ ARG A 10 6.262 -3.802 4.162 1.00 0.00 C ATOM 186 NH1 ARG A 10 7.340 -4.558 3.977 1.00 0.00 N ATOM 187 NH2 ARG A 10 5.773 -3.683 5.375 1.00 0.00 N ATOM 0 H ARG A 10 1.881 -6.064 2.191 1.00 0.00 H new ATOM 0 HA ARG A 10 3.879 -6.352 0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.446 -4.587 2.255 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.652 -5.582 3.046 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.197 -5.335 1.148 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.972 -4.513 0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.921 -3.201 1.503 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.345 -2.495 1.203 1.00 0.00 H new ATOM 0 HE ARG A 10 4.940 -2.481 3.439 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.732 -4.667 3.042 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.775 -5.029 4.770 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.944 -3.111 5.537 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.222 -4.163 6.155 1.00 0.00 H new ATOM 201 N ILE A 11 4.241 -8.314 2.920 1.00 0.00 N ATOM 202 CA ILE A 11 4.885 -9.526 3.417 1.00 0.00 C ATOM 203 C ILE A 11 4.487 -10.737 2.568 1.00 0.00 C ATOM 204 O ILE A 11 5.331 -11.587 2.309 1.00 0.00 O ATOM 205 CB ILE A 11 4.580 -9.686 4.920 1.00 0.00 C ATOM 206 CG1 ILE A 11 5.163 -8.510 5.738 1.00 0.00 C ATOM 207 CG2 ILE A 11 5.095 -11.012 5.502 1.00 0.00 C ATOM 208 CD1 ILE A 11 6.647 -8.207 5.501 1.00 0.00 C ATOM 0 H ILE A 11 3.559 -7.920 3.568 1.00 0.00 H new ATOM 0 HA ILE A 11 5.968 -9.449 3.321 1.00 0.00 H new ATOM 0 HB ILE A 11 3.493 -9.688 5.000 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.587 -7.613 5.511 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.019 -8.722 6.797 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.849 -11.064 6.563 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.625 -11.845 4.980 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.176 -11.069 5.377 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.951 -7.366 6.124 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.243 -9.083 5.758 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.804 -7.957 4.452 1.00 0.00 H new ATOM 220 N GLN A 12 3.263 -10.781 2.055 1.00 0.00 N ATOM 221 CA GLN A 12 2.794 -11.747 1.068 1.00 0.00 C ATOM 222 C GLN A 12 3.538 -11.681 -0.267 1.00 0.00 C ATOM 223 O GLN A 12 3.509 -12.628 -1.049 1.00 0.00 O ATOM 224 CB GLN A 12 1.302 -11.477 0.857 1.00 0.00 C ATOM 225 CG GLN A 12 0.464 -12.643 0.323 1.00 0.00 C ATOM 226 CD GLN A 12 -0.203 -12.175 -0.966 1.00 0.00 C ATOM 227 OE1 GLN A 12 -1.183 -11.438 -0.959 1.00 0.00 O ATOM 228 NE2 GLN A 12 0.357 -12.493 -2.115 1.00 0.00 N ATOM 0 H GLN A 12 2.539 -10.116 2.327 1.00 0.00 H new ATOM 0 HA GLN A 12 2.984 -12.751 1.448 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.875 -11.158 1.808 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.201 -10.640 0.166 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.093 -13.513 0.135 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.285 -12.944 1.055 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.173 -13.105 -2.133 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.025 -12.127 -2.987 1.00 0.00 H new ATOM 237 N LEU A 13 4.190 -10.559 -0.557 1.00 0.00 N ATOM 238 CA LEU A 13 5.141 -10.417 -1.663 1.00 0.00 C ATOM 239 C LEU A 13 6.596 -10.501 -1.172 1.00 0.00 C ATOM 240 O LEU A 13 7.530 -10.548 -1.974 1.00 0.00 O ATOM 241 CB LEU A 13 4.821 -9.123 -2.423 1.00 0.00 C ATOM 242 CG LEU A 13 5.575 -8.940 -3.760 1.00 0.00 C ATOM 243 CD1 LEU A 13 5.408 -10.122 -4.722 1.00 0.00 C ATOM 244 CD2 LEU A 13 5.052 -7.678 -4.456 1.00 0.00 C ATOM 0 H LEU A 13 4.071 -9.701 -0.019 1.00 0.00 H new ATOM 0 HA LEU A 13 5.034 -11.249 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.750 -9.093 -2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.049 -8.275 -1.777 1.00 0.00 H new ATOM 0 HG LEU A 13 6.635 -8.865 -3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.963 -9.926 -5.639 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.790 -11.029 -4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.352 -10.253 -4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.578 -7.539 -5.401 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.984 -7.784 -4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.222 -6.812 -3.816 1.00 0.00 H new ATOM 256 N GLY A 14 6.799 -10.583 0.142 1.00 0.00 N ATOM 257 CA GLY A 14 8.055 -10.865 0.815 1.00 0.00 C ATOM 258 C GLY A 14 9.104 -9.800 0.558 1.00 0.00 C ATOM 259 O GLY A 14 10.281 -10.145 0.414 1.00 0.00 O ATOM 0 H GLY A 14 6.036 -10.444 0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.879 -10.945 1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.433 -11.831 0.481 1.00 0.00 H new ATOM 263 N LEU A 15 8.698 -8.530 0.471 1.00 0.00 N ATOM 264 CA LEU A 15 9.542 -7.386 0.190 1.00 0.00 C ATOM 265 C LEU A 15 9.375 -6.219 1.166 1.00 0.00 C ATOM 266 O LEU A 15 8.385 -6.126 1.891 1.00 0.00 O ATOM 267 CB LEU A 15 9.364 -7.077 -1.304 1.00 0.00 C ATOM 268 CG LEU A 15 8.454 -5.882 -1.605 1.00 0.00 C ATOM 269 CD1 LEU A 15 8.656 -5.400 -3.038 1.00 0.00 C ATOM 270 CD2 LEU A 15 6.993 -6.290 -1.468 1.00 0.00 C ATOM 0 H LEU A 15 7.721 -8.269 0.603 1.00 0.00 H new ATOM 0 HA LEU A 15 10.592 -7.613 0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.344 -6.889 -1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.958 -7.960 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 15 8.706 -5.091 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.001 -4.551 -3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.694 -5.097 -3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.418 -6.207 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.354 -5.434 -1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.772 -7.094 -2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.805 -6.635 -0.451 1.00 0.00 H new ATOM 282 N ASN A 16 10.340 -5.299 1.141 1.00 0.00 N ATOM 283 CA ASN A 16 10.462 -4.195 2.099 1.00 0.00 C ATOM 284 C ASN A 16 9.575 -3.030 1.677 1.00 0.00 C ATOM 285 O ASN A 16 9.133 -2.968 0.528 1.00 0.00 O ATOM 286 CB ASN A 16 11.896 -3.645 2.135 1.00 0.00 C ATOM 287 CG ASN A 16 12.954 -4.694 2.404 1.00 0.00 C ATOM 288 OD1 ASN A 16 13.257 -5.517 1.546 1.00 0.00 O ATOM 289 ND2 ASN A 16 13.545 -4.701 3.576 1.00 0.00 N ATOM 0 H ASN A 16 11.078 -5.299 0.437 1.00 0.00 H new ATOM 0 HA ASN A 16 10.174 -4.592 3.072 1.00 0.00 H new ATOM 0 HB2 ASN A 16 12.112 -3.162 1.182 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.959 -2.875 2.904 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.264 -5.395 3.781 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.285 -4.012 4.282 1.00 0.00 H new ATOM 296 N GLN A 17 9.382 -2.050 2.565 1.00 0.00 N ATOM 297 CA GLN A 17 8.678 -0.815 2.233 1.00 0.00 C ATOM 298 C GLN A 17 9.358 -0.116 1.066 1.00 0.00 C ATOM 299 O GLN A 17 8.679 0.253 0.117 1.00 0.00 O ATOM 300 CB GLN A 17 8.611 0.116 3.431 1.00 0.00 C ATOM 301 CG GLN A 17 7.789 -0.535 4.538 1.00 0.00 C ATOM 302 CD GLN A 17 8.669 -0.760 5.751 1.00 0.00 C ATOM 303 OE1 GLN A 17 9.592 -1.573 5.698 1.00 0.00 O ATOM 304 NE2 GLN A 17 8.441 -0.015 6.811 1.00 0.00 N ATOM 0 H GLN A 17 9.709 -2.093 3.530 1.00 0.00 H new ATOM 0 HA GLN A 17 7.659 -1.076 1.947 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.616 0.335 3.791 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.162 1.066 3.141 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.944 0.101 4.801 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.378 -1.483 4.192 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.664 0.646 6.812 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.041 -0.099 7.632 1.00 0.00 H new ATOM 313 N ALA A 18 10.681 0.060 1.139 1.00 0.00 N ATOM 314 CA ALA A 18 11.482 0.772 0.155 1.00 0.00 C ATOM 315 C ALA A 18 11.329 0.101 -1.204 1.00 0.00 C ATOM 316 O ALA A 18 11.196 0.760 -2.231 1.00 0.00 O ATOM 317 CB ALA A 18 12.953 0.755 0.598 1.00 0.00 C ATOM 0 H ALA A 18 11.237 -0.304 1.913 1.00 0.00 H new ATOM 0 HA ALA A 18 11.145 1.806 0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.560 1.287 -0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.046 1.242 1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.298 -0.276 0.675 1.00 0.00 H new ATOM 323 N GLU A 19 11.369 -1.228 -1.216 1.00 0.00 N ATOM 324 CA GLU A 19 11.346 -2.023 -2.426 1.00 0.00 C ATOM 325 C GLU A 19 9.966 -2.037 -3.073 1.00 0.00 C ATOM 326 O GLU A 19 9.855 -2.003 -4.298 1.00 0.00 O ATOM 327 CB GLU A 19 11.736 -3.442 -2.015 1.00 0.00 C ATOM 328 CG GLU A 19 13.133 -3.562 -1.381 1.00 0.00 C ATOM 329 CD GLU A 19 14.236 -3.909 -2.382 1.00 0.00 C ATOM 330 OE1 GLU A 19 14.032 -4.805 -3.231 1.00 0.00 O ATOM 331 OE2 GLU A 19 15.345 -3.338 -2.295 1.00 0.00 O ATOM 0 H GLU A 19 11.419 -1.788 -0.365 1.00 0.00 H new ATOM 0 HA GLU A 19 12.032 -1.603 -3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.997 -3.818 -1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.693 -4.086 -2.894 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.382 -2.620 -0.892 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.105 -4.327 -0.605 1.00 0.00 H new ATOM 338 N LEU A 20 8.900 -2.063 -2.268 1.00 0.00 N ATOM 339 CA LEU A 20 7.568 -1.787 -2.787 1.00 0.00 C ATOM 340 C LEU A 20 7.588 -0.383 -3.386 1.00 0.00 C ATOM 341 O LEU A 20 7.302 -0.217 -4.568 1.00 0.00 O ATOM 342 CB LEU A 20 6.491 -1.938 -1.695 1.00 0.00 C ATOM 343 CG LEU A 20 5.066 -1.741 -2.262 1.00 0.00 C ATOM 344 CD1 LEU A 20 4.583 -2.982 -3.022 1.00 0.00 C ATOM 345 CD2 LEU A 20 4.059 -1.463 -1.149 1.00 0.00 C ATOM 0 H LEU A 20 8.936 -2.270 -1.270 1.00 0.00 H new ATOM 0 HA LEU A 20 7.305 -2.511 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.569 -2.927 -1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.671 -1.210 -0.904 1.00 0.00 H new ATOM 0 HG LEU A 20 5.126 -0.889 -2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.578 -2.806 -3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.258 -3.185 -3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.569 -3.839 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.067 -1.329 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.042 -2.303 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.347 -0.557 -0.615 1.00 0.00 H new ATOM 357 N ALA A 21 7.943 0.609 -2.571 1.00 0.00 N ATOM 358 CA ALA A 21 7.838 2.024 -2.869 1.00 0.00 C ATOM 359 C ALA A 21 8.493 2.364 -4.203 1.00 0.00 C ATOM 360 O ALA A 21 7.843 3.002 -5.033 1.00 0.00 O ATOM 361 CB ALA A 21 8.433 2.853 -1.725 1.00 0.00 C ATOM 0 H ALA A 21 8.329 0.433 -1.643 1.00 0.00 H new ATOM 0 HA ALA A 21 6.781 2.276 -2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.348 3.914 -1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.891 2.642 -0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.484 2.593 -1.596 1.00 0.00 H new ATOM 367 N GLN A 22 9.726 1.894 -4.437 1.00 0.00 N ATOM 368 CA GLN A 22 10.470 2.214 -5.654 1.00 0.00 C ATOM 369 C GLN A 22 9.684 1.757 -6.886 1.00 0.00 C ATOM 370 O GLN A 22 9.556 2.503 -7.860 1.00 0.00 O ATOM 371 CB GLN A 22 11.878 1.579 -5.600 1.00 0.00 C ATOM 372 CG GLN A 22 13.028 2.583 -5.806 1.00 0.00 C ATOM 373 CD GLN A 22 13.378 2.829 -7.274 1.00 0.00 C ATOM 374 OE1 GLN A 22 12.529 2.756 -8.158 1.00 0.00 O ATOM 375 NE2 GLN A 22 14.621 3.144 -7.583 1.00 0.00 N ATOM 0 H GLN A 22 10.229 1.286 -3.791 1.00 0.00 H new ATOM 0 HA GLN A 22 10.599 3.294 -5.727 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.007 1.088 -4.635 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.945 0.804 -6.364 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.757 3.532 -5.343 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.914 2.217 -5.287 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.329 3.205 -6.851 1.00 0.00 H new ATOM 0 HE22 GLN A 22 14.875 3.326 -8.554 1.00 0.00 H new ATOM 384 N LYS A 23 9.095 0.558 -6.846 1.00 0.00 N ATOM 385 CA LYS A 23 8.383 0.015 -7.980 1.00 0.00 C ATOM 386 C LYS A 23 7.117 0.809 -8.241 1.00 0.00 C ATOM 387 O LYS A 23 6.754 0.992 -9.401 1.00 0.00 O ATOM 388 CB LYS A 23 8.141 -1.480 -7.739 1.00 0.00 C ATOM 389 CG LYS A 23 6.697 -1.883 -7.426 1.00 0.00 C ATOM 390 CD LYS A 23 6.674 -3.371 -7.134 1.00 0.00 C ATOM 391 CE LYS A 23 5.258 -3.809 -6.794 1.00 0.00 C ATOM 392 NZ LYS A 23 5.179 -5.288 -6.818 1.00 0.00 N ATOM 0 H LYS A 23 9.104 -0.051 -6.028 1.00 0.00 H new ATOM 0 HA LYS A 23 8.974 0.105 -8.891 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.467 -2.028 -8.623 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.775 -1.802 -6.913 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.323 -1.322 -6.570 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.046 -1.651 -8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.038 -3.926 -7.999 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.344 -3.598 -6.304 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.977 -3.435 -5.809 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.553 -3.385 -7.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.379 -5.602 -6.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.041 -5.612 -7.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.062 -5.689 -6.442 1.00 0.00 H new ATOM 406 N VAL A 24 6.420 1.281 -7.205 1.00 0.00 N ATOM 407 CA VAL A 24 5.226 2.065 -7.417 1.00 0.00 C ATOM 408 C VAL A 24 5.621 3.481 -7.869 1.00 0.00 C ATOM 409 O VAL A 24 4.850 4.128 -8.574 1.00 0.00 O ATOM 410 CB VAL A 24 4.401 2.070 -6.123 1.00 0.00 C ATOM 411 CG1 VAL A 24 2.973 2.493 -6.444 1.00 0.00 C ATOM 412 CG2 VAL A 24 4.288 0.728 -5.381 1.00 0.00 C ATOM 0 H VAL A 24 6.667 1.131 -6.227 1.00 0.00 H new ATOM 0 HA VAL A 24 4.608 1.634 -8.205 1.00 0.00 H new ATOM 0 HB VAL A 24 4.942 2.754 -5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.381 2.499 -5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.979 3.492 -6.879 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.536 1.791 -7.154 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.682 0.858 -4.484 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.819 -0.009 -6.032 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.283 0.383 -5.100 1.00 0.00 H new ATOM 422 N GLY A 25 6.816 3.957 -7.504 1.00 0.00 N ATOM 423 CA GLY A 25 7.283 5.310 -7.764 1.00 0.00 C ATOM 424 C GLY A 25 6.996 6.261 -6.606 1.00 0.00 C ATOM 425 O GLY A 25 7.003 7.475 -6.802 1.00 0.00 O ATOM 0 H GLY A 25 7.501 3.389 -7.005 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.356 5.290 -7.956 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.805 5.688 -8.667 1.00 0.00 H new ATOM 429 N VAL A 26 6.677 5.736 -5.425 1.00 0.00 N ATOM 430 CA VAL A 26 6.339 6.483 -4.236 1.00 0.00 C ATOM 431 C VAL A 26 7.507 6.433 -3.243 1.00 0.00 C ATOM 432 O VAL A 26 8.524 5.770 -3.475 1.00 0.00 O ATOM 433 CB VAL A 26 5.011 5.938 -3.681 1.00 0.00 C ATOM 434 CG1 VAL A 26 3.907 5.900 -4.753 1.00 0.00 C ATOM 435 CG2 VAL A 26 5.100 4.562 -3.009 1.00 0.00 C ATOM 0 H VAL A 26 6.649 4.728 -5.274 1.00 0.00 H new ATOM 0 HA VAL A 26 6.184 7.540 -4.452 1.00 0.00 H new ATOM 0 HB VAL A 26 4.754 6.654 -2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.989 5.509 -4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.729 6.908 -5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.220 5.257 -5.575 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.113 4.267 -2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.459 3.828 -3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.791 4.612 -2.167 1.00 0.00 H new ATOM 445 N ASP A 27 7.386 7.151 -2.133 1.00 0.00 N ATOM 446 CA ASP A 27 8.371 7.247 -1.080 1.00 0.00 C ATOM 447 C ASP A 27 8.233 6.032 -0.162 1.00 0.00 C ATOM 448 O ASP A 27 7.138 5.499 0.025 1.00 0.00 O ATOM 449 CB ASP A 27 8.171 8.526 -0.232 1.00 0.00 C ATOM 450 CG ASP A 27 6.843 9.284 -0.307 1.00 0.00 C ATOM 451 OD1 ASP A 27 6.314 9.516 -1.418 1.00 0.00 O ATOM 452 OD2 ASP A 27 6.330 9.674 0.760 1.00 0.00 O ATOM 0 H ASP A 27 6.553 7.708 -1.940 1.00 0.00 H new ATOM 0 HA ASP A 27 9.359 7.285 -1.540 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.333 8.254 0.811 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.961 9.225 -0.505 1.00 0.00 H new ATOM 457 N GLN A 28 9.320 5.652 0.513 1.00 0.00 N ATOM 458 CA GLN A 28 9.275 4.660 1.586 1.00 0.00 C ATOM 459 C GLN A 28 8.365 5.159 2.707 1.00 0.00 C ATOM 460 O GLN A 28 7.606 4.380 3.286 1.00 0.00 O ATOM 461 CB GLN A 28 10.693 4.404 2.108 1.00 0.00 C ATOM 462 CG GLN A 28 10.881 2.979 2.635 1.00 0.00 C ATOM 463 CD GLN A 28 10.808 2.770 4.139 1.00 0.00 C ATOM 464 OE1 GLN A 28 11.694 2.161 4.732 1.00 0.00 O ATOM 465 NE2 GLN A 28 9.734 3.157 4.789 1.00 0.00 N ATOM 0 H GLN A 28 10.253 6.023 0.331 1.00 0.00 H new ATOM 0 HA GLN A 28 8.872 3.722 1.205 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.409 4.588 1.307 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.916 5.114 2.905 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.124 2.346 2.171 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.851 2.619 2.292 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.996 3.663 4.299 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.638 2.951 5.783 1.00 0.00 H new ATOM 474 N GLN A 29 8.425 6.462 2.989 1.00 0.00 N ATOM 475 CA GLN A 29 7.488 7.155 3.849 1.00 0.00 C ATOM 476 C GLN A 29 6.042 6.899 3.445 1.00 0.00 C ATOM 477 O GLN A 29 5.219 6.646 4.319 1.00 0.00 O ATOM 478 CB GLN A 29 7.813 8.655 3.854 1.00 0.00 C ATOM 479 CG GLN A 29 7.095 9.421 4.968 1.00 0.00 C ATOM 480 CD GLN A 29 7.503 8.959 6.356 1.00 0.00 C ATOM 481 OE1 GLN A 29 6.845 8.123 6.975 1.00 0.00 O ATOM 482 NE2 GLN A 29 8.615 9.459 6.858 1.00 0.00 N ATOM 0 H GLN A 29 9.149 7.073 2.611 1.00 0.00 H new ATOM 0 HA GLN A 29 7.595 6.764 4.861 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.889 8.787 3.966 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.537 9.084 2.890 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.308 10.485 4.867 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.018 9.299 4.851 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.147 10.151 6.330 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.943 9.154 7.774 1.00 0.00 H new ATOM 491 N ALA A 30 5.715 6.947 2.152 1.00 0.00 N ATOM 492 CA ALA A 30 4.347 6.744 1.718 1.00 0.00 C ATOM 493 C ALA A 30 3.829 5.354 2.070 1.00 0.00 C ATOM 494 O ALA A 30 2.635 5.226 2.331 1.00 0.00 O ATOM 495 CB ALA A 30 4.184 7.025 0.224 1.00 0.00 C ATOM 0 H ALA A 30 6.379 7.124 1.398 1.00 0.00 H new ATOM 0 HA ALA A 30 3.738 7.464 2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.146 6.863 -0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.461 8.058 0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.828 6.355 -0.345 1.00 0.00 H new ATOM 501 N ILE A 31 4.689 4.334 2.101 1.00 0.00 N ATOM 502 CA ILE A 31 4.305 2.996 2.531 1.00 0.00 C ATOM 503 C ILE A 31 4.176 2.959 4.054 1.00 0.00 C ATOM 504 O ILE A 31 3.180 2.450 4.555 1.00 0.00 O ATOM 505 CB ILE A 31 5.322 1.964 2.000 1.00 0.00 C ATOM 506 CG1 ILE A 31 5.511 2.052 0.473 1.00 0.00 C ATOM 507 CG2 ILE A 31 4.938 0.532 2.415 1.00 0.00 C ATOM 508 CD1 ILE A 31 4.225 2.103 -0.358 1.00 0.00 C ATOM 0 H ILE A 31 5.668 4.416 1.828 1.00 0.00 H new ATOM 0 HA ILE A 31 3.331 2.734 2.117 1.00 0.00 H new ATOM 0 HB ILE A 31 6.279 2.213 2.459 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.100 2.941 0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.097 1.192 0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.675 -0.170 2.025 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.912 0.463 3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.955 0.288 2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.478 2.164 -1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.638 1.202 -0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.642 2.979 -0.073 1.00 0.00 H new ATOM 520 N GLU A 32 5.147 3.496 4.794 1.00 0.00 N ATOM 521 CA GLU A 32 5.147 3.434 6.258 1.00 0.00 C ATOM 522 C GLU A 32 3.930 4.173 6.808 1.00 0.00 C ATOM 523 O GLU A 32 3.224 3.667 7.683 1.00 0.00 O ATOM 524 CB GLU A 32 6.464 4.032 6.782 1.00 0.00 C ATOM 525 CG GLU A 32 6.589 4.045 8.316 1.00 0.00 C ATOM 526 CD GLU A 32 6.898 2.693 8.960 1.00 0.00 C ATOM 527 OE1 GLU A 32 6.773 1.636 8.305 1.00 0.00 O ATOM 528 OE2 GLU A 32 7.293 2.693 10.155 1.00 0.00 O ATOM 0 H GLU A 32 5.951 3.984 4.399 1.00 0.00 H new ATOM 0 HA GLU A 32 5.081 2.400 6.595 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.297 3.465 6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.558 5.053 6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.374 4.749 8.594 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.658 4.424 8.736 1.00 0.00 H new ATOM 535 N GLN A 33 3.652 5.360 6.265 1.00 0.00 N ATOM 536 CA GLN A 33 2.500 6.131 6.670 1.00 0.00 C ATOM 537 C GLN A 33 1.219 5.369 6.344 1.00 0.00 C ATOM 538 O GLN A 33 0.288 5.393 7.135 1.00 0.00 O ATOM 539 CB GLN A 33 2.548 7.552 6.087 1.00 0.00 C ATOM 540 CG GLN A 33 1.906 7.683 4.701 1.00 0.00 C ATOM 541 CD GLN A 33 1.996 9.100 4.147 1.00 0.00 C ATOM 542 OE1 GLN A 33 2.063 10.078 4.889 1.00 0.00 O ATOM 543 NE2 GLN A 33 1.975 9.263 2.836 1.00 0.00 N ATOM 0 H GLN A 33 4.219 5.801 5.541 1.00 0.00 H new ATOM 0 HA GLN A 33 2.513 6.265 7.752 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.045 8.232 6.774 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.588 7.873 6.025 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.395 6.995 4.011 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.859 7.385 4.760 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.919 8.450 2.222 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.014 10.201 2.438 1.00 0.00 H new ATOM 552 N LEU A 34 1.141 4.695 5.193 1.00 0.00 N ATOM 553 CA LEU A 34 -0.042 3.952 4.792 1.00 0.00 C ATOM 554 C LEU A 34 -0.266 2.811 5.774 1.00 0.00 C ATOM 555 O LEU A 34 -1.395 2.559 6.182 1.00 0.00 O ATOM 556 CB LEU A 34 0.180 3.371 3.389 1.00 0.00 C ATOM 557 CG LEU A 34 -0.577 4.159 2.320 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.087 3.694 0.945 1.00 0.00 C ATOM 559 CD2 LEU A 34 -2.101 3.997 2.360 1.00 0.00 C ATOM 0 H LEU A 34 1.903 4.653 4.516 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.910 4.612 4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.245 3.377 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.145 2.331 3.371 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.373 5.212 2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.615 4.244 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.984 3.879 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.281 2.627 0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.551 4.592 1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.359 2.948 2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.478 4.336 3.325 1.00 0.00 H new ATOM 571 N GLU A 35 0.812 2.118 6.129 1.00 0.00 N ATOM 572 CA GLU A 35 0.802 0.987 7.044 1.00 0.00 C ATOM 573 C GLU A 35 0.426 1.372 8.479 1.00 0.00 C ATOM 574 O GLU A 35 -0.083 0.516 9.205 1.00 0.00 O ATOM 575 CB GLU A 35 2.099 0.183 6.925 1.00 0.00 C ATOM 576 CG GLU A 35 2.070 -0.589 5.592 1.00 0.00 C ATOM 577 CD GLU A 35 3.281 -1.481 5.350 1.00 0.00 C ATOM 578 OE1 GLU A 35 4.047 -1.778 6.294 1.00 0.00 O ATOM 579 OE2 GLU A 35 3.452 -1.954 4.204 1.00 0.00 O ATOM 0 H GLU A 35 1.744 2.337 5.776 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.005 0.320 6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.962 0.848 6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.195 -0.508 7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.170 -1.204 5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.993 0.127 4.774 1.00 0.00 H new ATOM 586 N ASN A 36 0.593 2.638 8.888 1.00 0.00 N ATOM 587 CA ASN A 36 -0.015 3.176 10.101 1.00 0.00 C ATOM 588 C ASN A 36 -1.381 3.846 9.860 1.00 0.00 C ATOM 589 O ASN A 36 -2.085 4.174 10.818 1.00 0.00 O ATOM 590 CB ASN A 36 0.990 4.080 10.825 1.00 0.00 C ATOM 591 CG ASN A 36 1.080 5.534 10.370 1.00 0.00 C ATOM 592 OD1 ASN A 36 0.088 6.245 10.258 1.00 0.00 O ATOM 593 ND2 ASN A 36 2.291 6.023 10.149 1.00 0.00 N ATOM 0 H ASN A 36 1.159 3.317 8.379 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.251 2.339 10.758 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.745 4.074 11.887 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.979 3.633 10.724 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.405 7.001 9.883 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.109 5.422 10.245 1.00 0.00 H new ATOM 600 N GLY A 37 -1.815 4.015 8.610 1.00 0.00 N ATOM 601 CA GLY A 37 -3.105 4.590 8.233 1.00 0.00 C ATOM 602 C GLY A 37 -3.089 6.113 8.064 1.00 0.00 C ATOM 603 O GLY A 37 -4.153 6.735 7.996 1.00 0.00 O ATOM 0 H GLY A 37 -1.255 3.744 7.802 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.433 4.135 7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.843 4.328 8.991 1.00 0.00 H new ATOM 607 N LYS A 38 -1.916 6.747 7.977 1.00 0.00 N ATOM 608 CA LYS A 38 -1.782 8.195 7.853 1.00 0.00 C ATOM 609 C LYS A 38 -2.173 8.666 6.459 1.00 0.00 C ATOM 610 O LYS A 38 -2.574 9.823 6.340 1.00 0.00 O ATOM 611 CB LYS A 38 -0.340 8.638 8.167 1.00 0.00 C ATOM 612 CG LYS A 38 -0.197 9.463 9.455 1.00 0.00 C ATOM 613 CD LYS A 38 -0.815 10.872 9.357 1.00 0.00 C ATOM 614 CE LYS A 38 -2.212 11.006 9.982 1.00 0.00 C ATOM 615 NZ LYS A 38 -2.183 10.938 11.459 1.00 0.00 N ATOM 0 H LYS A 38 -1.021 6.258 7.991 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.459 8.651 8.576 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.291 7.752 8.245 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.037 9.225 7.330 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.670 8.924 10.276 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.861 9.556 9.702 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.145 11.582 9.842 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.873 11.156 8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.654 11.953 9.674 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.855 10.214 9.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.082 10.548 11.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.399 10.326 11.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.047 11.893 11.848 1.00 0.00 H new ATOM 629 N ALA A 39 -2.100 7.821 5.427 1.00 0.00 N ATOM 630 CA ALA A 39 -2.856 8.044 4.212 1.00 0.00 C ATOM 631 C ALA A 39 -4.026 7.066 4.240 1.00 0.00 C ATOM 632 O ALA A 39 -3.828 5.898 4.575 1.00 0.00 O ATOM 633 CB ALA A 39 -1.950 7.763 3.020 1.00 0.00 C ATOM 0 H ALA A 39 -1.523 6.980 5.418 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.221 9.068 4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.504 7.926 2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.090 8.432 3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.607 6.729 3.060 1.00 0.00 H new ATOM 639 N LYS A 40 -5.219 7.525 3.865 1.00 0.00 N ATOM 640 CA LYS A 40 -6.381 6.688 3.600 1.00 0.00 C ATOM 641 C LYS A 40 -6.405 6.455 2.097 1.00 0.00 C ATOM 642 O LYS A 40 -6.088 5.357 1.651 1.00 0.00 O ATOM 643 CB LYS A 40 -7.652 7.335 4.195 1.00 0.00 C ATOM 644 CG LYS A 40 -8.859 6.390 4.297 1.00 0.00 C ATOM 645 CD LYS A 40 -9.655 6.239 2.991 1.00 0.00 C ATOM 646 CE LYS A 40 -10.693 5.117 3.102 1.00 0.00 C ATOM 647 NZ LYS A 40 -11.747 5.416 4.087 1.00 0.00 N ATOM 0 H LYS A 40 -5.406 8.519 3.734 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.334 5.714 4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.419 7.716 5.190 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.929 8.193 3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.510 5.407 4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.528 6.756 5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.155 7.179 2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.972 6.027 2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.149 4.951 2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.192 4.190 3.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.432 4.634 4.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.320 5.531 5.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.234 6.295 3.818 1.00 0.00 H new ATOM 661 N ARG A 41 -6.718 7.479 1.294 1.00 0.00 N ATOM 662 CA ARG A 41 -6.698 7.382 -0.164 1.00 0.00 C ATOM 663 C ARG A 41 -5.626 8.345 -0.677 1.00 0.00 C ATOM 664 O ARG A 41 -5.944 9.500 -0.951 1.00 0.00 O ATOM 665 CB ARG A 41 -8.122 7.621 -0.703 1.00 0.00 C ATOM 666 CG ARG A 41 -8.245 7.878 -2.220 1.00 0.00 C ATOM 667 CD ARG A 41 -8.541 9.341 -2.599 1.00 0.00 C ATOM 668 NE ARG A 41 -9.740 9.445 -3.447 1.00 0.00 N ATOM 669 CZ ARG A 41 -10.125 10.512 -4.156 1.00 0.00 C ATOM 670 NH1 ARG A 41 -9.448 11.652 -4.108 1.00 0.00 N ATOM 671 NH2 ARG A 41 -11.199 10.431 -4.929 1.00 0.00 N ATOM 0 H ARG A 41 -6.992 8.398 1.641 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.423 6.392 -0.528 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.733 6.754 -0.452 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.549 8.474 -0.176 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.318 7.571 -2.704 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.037 7.245 -2.620 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.682 9.931 -1.694 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.684 9.763 -3.125 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.338 8.620 -3.499 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.616 11.727 -3.522 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.759 12.453 -4.657 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.726 9.559 -4.980 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.498 11.241 -5.472 1.00 0.00 H new ATOM 685 N PRO A 42 -4.354 7.920 -0.769 1.00 0.00 N ATOM 686 CA PRO A 42 -3.267 8.768 -1.249 1.00 0.00 C ATOM 687 C PRO A 42 -3.380 9.032 -2.752 1.00 0.00 C ATOM 688 O PRO A 42 -4.131 8.352 -3.460 1.00 0.00 O ATOM 689 CB PRO A 42 -1.980 8.012 -0.913 1.00 0.00 C ATOM 690 CG PRO A 42 -2.416 6.552 -0.876 1.00 0.00 C ATOM 691 CD PRO A 42 -3.859 6.608 -0.392 1.00 0.00 C ATOM 0 HA PRO A 42 -3.292 9.750 -0.777 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.209 8.180 -1.665 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.567 8.331 0.044 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.343 6.089 -1.860 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.792 5.966 -0.201 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.456 5.819 -0.850 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.915 6.465 0.687 1.00 0.00 H new ATOM 699 N ARG A 43 -2.585 9.978 -3.267 1.00 0.00 N ATOM 700 CA ARG A 43 -2.645 10.418 -4.666 1.00 0.00 C ATOM 701 C ARG A 43 -2.478 9.265 -5.655 1.00 0.00 C ATOM 702 O ARG A 43 -3.127 9.225 -6.704 1.00 0.00 O ATOM 703 CB ARG A 43 -1.623 11.546 -4.914 1.00 0.00 C ATOM 704 CG ARG A 43 -0.156 11.098 -5.051 1.00 0.00 C ATOM 705 CD ARG A 43 0.787 12.293 -5.233 1.00 0.00 C ATOM 706 NE ARG A 43 1.157 12.910 -3.951 1.00 0.00 N ATOM 707 CZ ARG A 43 2.133 12.488 -3.134 1.00 0.00 C ATOM 708 NH1 ARG A 43 2.856 11.407 -3.405 1.00 0.00 N ATOM 709 NH2 ARG A 43 2.395 13.152 -2.018 1.00 0.00 N ATOM 0 H ARG A 43 -1.875 10.464 -2.719 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.644 10.815 -4.844 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.908 12.077 -5.822 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.691 12.260 -4.093 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.137 10.535 -4.165 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.059 10.425 -5.903 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.689 11.966 -5.750 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.308 13.038 -5.868 1.00 0.00 H new ATOM 0 HE ARG A 43 0.626 13.730 -3.658 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.675 10.873 -4.255 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.592 11.112 -2.763 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.854 13.984 -1.781 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.137 12.831 -1.396 1.00 0.00 H new ATOM 723 N PHE A 44 -1.607 8.325 -5.306 1.00 0.00 N ATOM 724 CA PHE A 44 -1.136 7.239 -6.146 1.00 0.00 C ATOM 725 C PHE A 44 -1.951 5.955 -5.943 1.00 0.00 C ATOM 726 O PHE A 44 -1.566 4.925 -6.486 1.00 0.00 O ATOM 727 CB PHE A 44 0.348 7.013 -5.804 1.00 0.00 C ATOM 728 CG PHE A 44 0.599 6.759 -4.326 1.00 0.00 C ATOM 729 CD1 PHE A 44 0.165 5.558 -3.741 1.00 0.00 C ATOM 730 CD2 PHE A 44 1.239 7.721 -3.522 1.00 0.00 C ATOM 731 CE1 PHE A 44 0.337 5.324 -2.373 1.00 0.00 C ATOM 732 CE2 PHE A 44 1.425 7.480 -2.149 1.00 0.00 C ATOM 733 CZ PHE A 44 0.965 6.283 -1.569 1.00 0.00 C ATOM 0 H PHE A 44 -1.189 8.303 -4.376 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.258 7.504 -7.196 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.720 6.164 -6.378 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.922 7.885 -6.117 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.307 4.806 -4.355 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.587 8.645 -3.960 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.015 4.401 -1.936 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.923 8.217 -1.537 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.095 6.106 -0.512 1.00 0.00 H new ATOM 743 N LEU A 45 -3.018 5.955 -5.132 1.00 0.00 N ATOM 744 CA LEU A 45 -3.728 4.764 -4.678 1.00 0.00 C ATOM 745 C LEU A 45 -3.977 3.717 -5.771 1.00 0.00 C ATOM 746 O LEU A 45 -3.620 2.565 -5.520 1.00 0.00 O ATOM 747 CB LEU A 45 -5.011 5.224 -3.964 1.00 0.00 C ATOM 748 CG LEU A 45 -5.933 4.075 -3.540 1.00 0.00 C ATOM 749 CD1 LEU A 45 -5.309 3.207 -2.444 1.00 0.00 C ATOM 750 CD2 LEU A 45 -7.264 4.654 -3.058 1.00 0.00 C ATOM 0 H LEU A 45 -3.420 6.817 -4.764 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.091 4.223 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.736 5.801 -3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.562 5.894 -4.624 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.092 3.431 -4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.999 2.407 -2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.377 2.776 -2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.107 3.820 -1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.925 3.842 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.087 5.315 -2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.729 5.218 -3.866 1.00 0.00 H new ATOM 762 N PRO A 46 -4.527 4.048 -6.955 1.00 0.00 N ATOM 763 CA PRO A 46 -4.691 3.056 -8.007 1.00 0.00 C ATOM 764 C PRO A 46 -3.372 2.405 -8.416 1.00 0.00 C ATOM 765 O PRO A 46 -3.331 1.183 -8.532 1.00 0.00 O ATOM 766 CB PRO A 46 -5.431 3.745 -9.157 1.00 0.00 C ATOM 767 CG PRO A 46 -5.325 5.234 -8.856 1.00 0.00 C ATOM 768 CD PRO A 46 -5.141 5.310 -7.345 1.00 0.00 C ATOM 0 HA PRO A 46 -5.282 2.211 -7.653 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.979 3.503 -10.119 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.472 3.425 -9.205 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.483 5.685 -9.381 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.221 5.767 -9.173 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.508 6.154 -7.070 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.097 5.451 -6.841 1.00 0.00 H new ATOM 776 N GLU A 47 -2.293 3.174 -8.566 1.00 0.00 N ATOM 777 CA GLU A 47 -0.990 2.673 -8.965 1.00 0.00 C ATOM 778 C GLU A 47 -0.400 1.775 -7.884 1.00 0.00 C ATOM 779 O GLU A 47 0.114 0.713 -8.219 1.00 0.00 O ATOM 780 CB GLU A 47 -0.034 3.825 -9.283 1.00 0.00 C ATOM 781 CG GLU A 47 -0.327 4.426 -10.662 1.00 0.00 C ATOM 782 CD GLU A 47 0.694 5.503 -11.020 1.00 0.00 C ATOM 783 OE1 GLU A 47 1.913 5.212 -11.029 1.00 0.00 O ATOM 784 OE2 GLU A 47 0.288 6.651 -11.304 1.00 0.00 O ATOM 0 H GLU A 47 -2.307 4.182 -8.409 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.123 2.080 -9.870 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.126 4.598 -8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.995 3.466 -9.251 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.310 3.639 -11.416 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.330 4.854 -10.670 1.00 0.00 H new ATOM 791 N LEU A 48 -0.494 2.142 -6.599 1.00 0.00 N ATOM 792 CA LEU A 48 -0.067 1.240 -5.529 1.00 0.00 C ATOM 793 C LEU A 48 -0.873 -0.032 -5.576 1.00 0.00 C ATOM 794 O LEU A 48 -0.297 -1.096 -5.405 1.00 0.00 O ATOM 795 CB LEU A 48 -0.172 1.886 -4.148 1.00 0.00 C ATOM 796 CG LEU A 48 0.443 0.975 -3.055 1.00 0.00 C ATOM 797 CD1 LEU A 48 1.260 1.778 -2.045 1.00 0.00 C ATOM 798 CD2 LEU A 48 -0.617 0.193 -2.273 1.00 0.00 C ATOM 0 H LEU A 48 -0.856 3.041 -6.282 1.00 0.00 H new ATOM 0 HA LEU A 48 0.986 1.011 -5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.340 2.848 -4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.218 2.083 -3.914 1.00 0.00 H new ATOM 0 HG LEU A 48 1.083 0.278 -3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.675 1.105 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.072 2.292 -2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.617 2.512 -1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.130 -0.428 -1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.296 0.891 -1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.180 -0.441 -2.958 1.00 0.00 H new ATOM 810 N ALA A 49 -2.179 0.061 -5.793 1.00 0.00 N ATOM 811 CA ALA A 49 -2.993 -1.145 -5.830 1.00 0.00 C ATOM 812 C ALA A 49 -2.582 -2.069 -6.979 1.00 0.00 C ATOM 813 O ALA A 49 -2.288 -3.237 -6.711 1.00 0.00 O ATOM 814 CB ALA A 49 -4.484 -0.795 -5.860 1.00 0.00 C ATOM 0 H ALA A 49 -2.685 0.934 -5.942 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.814 -1.704 -4.912 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.073 -1.712 -5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.742 -0.225 -4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.700 -0.199 -6.746 1.00 0.00 H new ATOM 820 N ARG A 50 -2.494 -1.590 -8.227 1.00 0.00 N ATOM 821 CA ARG A 50 -2.029 -2.458 -9.321 1.00 0.00 C ATOM 822 C ARG A 50 -0.585 -2.906 -9.099 1.00 0.00 C ATOM 823 O ARG A 50 -0.294 -4.074 -9.365 1.00 0.00 O ATOM 824 CB ARG A 50 -2.250 -1.906 -10.748 1.00 0.00 C ATOM 825 CG ARG A 50 -2.118 -0.393 -10.926 1.00 0.00 C ATOM 826 CD ARG A 50 -1.981 0.074 -12.381 1.00 0.00 C ATOM 827 NE ARG A 50 -0.570 0.127 -12.778 1.00 0.00 N ATOM 828 CZ ARG A 50 -0.012 0.923 -13.694 1.00 0.00 C ATOM 829 NH1 ARG A 50 -0.765 1.618 -14.536 1.00 0.00 N ATOM 830 NH2 ARG A 50 1.309 1.024 -13.752 1.00 0.00 N ATOM 0 H ARG A 50 -2.730 -0.636 -8.501 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.679 -3.332 -9.275 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.537 -2.391 -11.415 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.246 -2.202 -11.077 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.991 0.088 -10.485 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.248 -0.050 -10.366 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.524 -0.605 -13.039 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.434 1.059 -12.496 1.00 0.00 H new ATOM 0 HE ARG A 50 0.058 -0.519 -12.299 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.781 1.548 -14.488 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.328 2.223 -15.231 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.890 0.496 -13.100 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.744 1.629 -14.448 1.00 0.00 H new ATOM 844 N ALA A 51 0.300 -2.056 -8.567 1.00 0.00 N ATOM 845 CA ALA A 51 1.676 -2.446 -8.303 1.00 0.00 C ATOM 846 C ALA A 51 1.714 -3.536 -7.235 1.00 0.00 C ATOM 847 O ALA A 51 2.463 -4.497 -7.396 1.00 0.00 O ATOM 848 CB ALA A 51 2.550 -1.249 -7.902 1.00 0.00 C ATOM 0 H ALA A 51 0.080 -1.093 -8.313 1.00 0.00 H new ATOM 0 HA ALA A 51 2.094 -2.842 -9.228 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.569 -1.589 -7.715 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.555 -0.516 -8.708 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.148 -0.792 -6.998 1.00 0.00 H new ATOM 854 N LEU A 52 0.935 -3.415 -6.155 1.00 0.00 N ATOM 855 CA LEU A 52 0.849 -4.424 -5.104 1.00 0.00 C ATOM 856 C LEU A 52 0.308 -5.707 -5.714 1.00 0.00 C ATOM 857 O LEU A 52 0.867 -6.780 -5.503 1.00 0.00 O ATOM 858 CB LEU A 52 -0.039 -3.905 -3.967 1.00 0.00 C ATOM 859 CG LEU A 52 0.051 -4.645 -2.625 1.00 0.00 C ATOM 860 CD1 LEU A 52 1.484 -4.921 -2.137 1.00 0.00 C ATOM 861 CD2 LEU A 52 -0.640 -3.747 -1.591 1.00 0.00 C ATOM 0 H LEU A 52 0.341 -2.603 -5.988 1.00 0.00 H new ATOM 0 HA LEU A 52 1.831 -4.632 -4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.208 -2.857 -3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.075 -3.937 -4.304 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.414 -5.623 -2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.449 -5.447 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.006 -5.535 -2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.014 -3.977 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.606 -4.226 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.127 -2.786 -1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.679 -3.590 -1.882 1.00 0.00 H new ATOM 873 N GLY A 53 -0.732 -5.566 -6.531 1.00 0.00 N ATOM 874 CA GLY A 53 -1.384 -6.605 -7.294 1.00 0.00 C ATOM 875 C GLY A 53 -2.750 -6.898 -6.702 1.00 0.00 C ATOM 876 O GLY A 53 -3.046 -8.069 -6.467 1.00 0.00 O ATOM 0 H GLY A 53 -1.165 -4.655 -6.682 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.487 -6.295 -8.334 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.774 -7.509 -7.290 1.00 0.00 H new ATOM 880 N VAL A 54 -3.538 -5.868 -6.389 1.00 0.00 N ATOM 881 CA VAL A 54 -4.903 -5.976 -5.878 1.00 0.00 C ATOM 882 C VAL A 54 -5.739 -4.827 -6.469 1.00 0.00 C ATOM 883 O VAL A 54 -5.188 -3.917 -7.097 1.00 0.00 O ATOM 884 CB VAL A 54 -4.906 -5.973 -4.328 1.00 0.00 C ATOM 885 CG1 VAL A 54 -3.962 -7.020 -3.712 1.00 0.00 C ATOM 886 CG2 VAL A 54 -4.539 -4.596 -3.761 1.00 0.00 C ATOM 0 H VAL A 54 -3.230 -4.901 -6.489 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.350 -6.922 -6.184 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.929 -6.231 -4.053 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.014 -6.962 -2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.262 -8.016 -4.037 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.940 -6.824 -4.037 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.552 -4.636 -2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.542 -4.316 -4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.261 -3.856 -4.106 1.00 0.00 H new ATOM 896 N ALA A 55 -7.057 -4.837 -6.271 1.00 0.00 N ATOM 897 CA ALA A 55 -7.941 -3.741 -6.658 1.00 0.00 C ATOM 898 C ALA A 55 -7.856 -2.586 -5.650 1.00 0.00 C ATOM 899 O ALA A 55 -7.631 -2.810 -4.458 1.00 0.00 O ATOM 900 CB ALA A 55 -9.377 -4.273 -6.710 1.00 0.00 C ATOM 0 H ALA A 55 -7.546 -5.617 -5.832 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.637 -3.361 -7.634 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.053 -3.468 -6.998 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.440 -5.079 -7.441 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.661 -4.651 -5.728 1.00 0.00 H new ATOM 906 N VAL A 56 -8.174 -1.359 -6.072 1.00 0.00 N ATOM 907 CA VAL A 56 -8.471 -0.266 -5.152 1.00 0.00 C ATOM 908 C VAL A 56 -9.680 -0.639 -4.294 1.00 0.00 C ATOM 909 O VAL A 56 -9.689 -0.306 -3.119 1.00 0.00 O ATOM 910 CB VAL A 56 -8.728 1.024 -5.950 1.00 0.00 C ATOM 911 CG1 VAL A 56 -9.082 2.175 -5.011 1.00 0.00 C ATOM 912 CG2 VAL A 56 -7.486 1.452 -6.736 1.00 0.00 C ATOM 0 H VAL A 56 -8.232 -1.100 -7.057 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.622 -0.092 -4.491 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.550 0.809 -6.633 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.260 3.079 -5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.981 1.923 -4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.258 2.347 -4.319 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.702 2.366 -7.288 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.662 1.632 -6.045 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.208 0.663 -7.435 1.00 0.00 H new ATOM 922 N ASP A 57 -10.661 -1.372 -4.824 1.00 0.00 N ATOM 923 CA ASP A 57 -11.796 -1.869 -4.042 1.00 0.00 C ATOM 924 C ASP A 57 -11.365 -2.742 -2.864 1.00 0.00 C ATOM 925 O ASP A 57 -11.928 -2.643 -1.776 1.00 0.00 O ATOM 926 CB ASP A 57 -12.731 -2.662 -4.956 1.00 0.00 C ATOM 927 CG ASP A 57 -14.084 -2.936 -4.312 1.00 0.00 C ATOM 928 OD1 ASP A 57 -14.733 -1.982 -3.836 1.00 0.00 O ATOM 929 OD2 ASP A 57 -14.509 -4.112 -4.284 1.00 0.00 O ATOM 0 H ASP A 57 -10.691 -1.638 -5.808 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.310 -1.003 -3.626 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.879 -2.111 -5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.259 -3.609 -5.219 1.00 0.00 H new ATOM 934 N TRP A 58 -10.329 -3.558 -3.052 1.00 0.00 N ATOM 935 CA TRP A 58 -9.745 -4.383 -2.003 1.00 0.00 C ATOM 936 C TRP A 58 -8.977 -3.506 -1.011 1.00 0.00 C ATOM 937 O TRP A 58 -9.017 -3.696 0.196 1.00 0.00 O ATOM 938 CB TRP A 58 -8.813 -5.394 -2.664 1.00 0.00 C ATOM 939 CG TRP A 58 -8.219 -6.435 -1.778 1.00 0.00 C ATOM 940 CD1 TRP A 58 -8.752 -7.649 -1.569 1.00 0.00 C ATOM 941 CD2 TRP A 58 -6.949 -6.434 -1.065 1.00 0.00 C ATOM 942 NE1 TRP A 58 -7.918 -8.403 -0.771 1.00 0.00 N ATOM 943 CE2 TRP A 58 -6.777 -7.706 -0.446 1.00 0.00 C ATOM 944 CE3 TRP A 58 -5.904 -5.502 -0.924 1.00 0.00 C ATOM 945 CZ2 TRP A 58 -5.619 -8.036 0.267 1.00 0.00 C ATOM 946 CZ3 TRP A 58 -4.724 -5.827 -0.226 1.00 0.00 C ATOM 947 CH2 TRP A 58 -4.590 -7.091 0.374 1.00 0.00 C ATOM 0 H TRP A 58 -9.866 -3.664 -3.955 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.525 -4.905 -1.449 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -9.365 -5.897 -3.458 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -7.999 -4.847 -3.139 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -9.697 -7.986 -1.968 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -8.120 -9.354 -0.462 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.009 -4.519 -1.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.520 -9.007 0.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -3.923 -5.106 -0.152 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -3.690 -7.335 0.920 1.00 0.00 H new ATOM 958 N LEU A 59 -8.263 -2.504 -1.498 1.00 0.00 N ATOM 959 CA LEU A 59 -7.624 -1.506 -0.668 1.00 0.00 C ATOM 960 C LEU A 59 -8.587 -0.648 0.148 1.00 0.00 C ATOM 961 O LEU A 59 -8.215 -0.146 1.207 1.00 0.00 O ATOM 962 CB LEU A 59 -6.643 -0.677 -1.490 1.00 0.00 C ATOM 963 CG LEU A 59 -5.209 -1.238 -1.551 1.00 0.00 C ATOM 964 CD1 LEU A 59 -4.303 -0.103 -2.007 1.00 0.00 C ATOM 965 CD2 LEU A 59 -4.623 -1.774 -0.234 1.00 0.00 C ATOM 0 H LEU A 59 -8.111 -2.363 -2.497 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.061 -2.051 0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.027 -0.590 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.606 0.331 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.260 -2.095 -2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.274 -0.459 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.622 0.244 -2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.363 0.720 -1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.611 -2.140 -0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.597 -0.973 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.245 -2.589 0.136 1.00 0.00 H new ATOM 977 N LEU A 60 -9.690 -0.206 -0.431 1.00 0.00 N ATOM 978 CA LEU A 60 -10.749 0.463 0.312 1.00 0.00 C ATOM 979 C LEU A 60 -11.259 -0.518 1.364 1.00 0.00 C ATOM 980 O LEU A 60 -11.118 -0.280 2.562 1.00 0.00 O ATOM 981 CB LEU A 60 -11.862 0.920 -0.647 1.00 0.00 C ATOM 982 CG LEU A 60 -11.451 2.126 -1.512 1.00 0.00 C ATOM 983 CD1 LEU A 60 -12.385 2.244 -2.713 1.00 0.00 C ATOM 984 CD2 LEU A 60 -11.450 3.440 -0.718 1.00 0.00 C ATOM 0 H LEU A 60 -9.879 -0.300 -1.429 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.380 1.361 0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.137 0.090 -1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.749 1.180 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.430 1.952 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.089 3.099 -3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.325 1.335 -3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.409 2.383 -2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.154 4.260 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.450 3.630 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.746 3.364 0.110 1.00 0.00 H new ATOM 996 N ASN A 61 -11.811 -1.637 0.899 1.00 0.00 N ATOM 997 CA ASN A 61 -12.627 -2.545 1.683 1.00 0.00 C ATOM 998 C ASN A 61 -11.771 -3.717 2.143 1.00 0.00 C ATOM 999 O ASN A 61 -11.381 -3.770 3.310 1.00 0.00 O ATOM 1000 CB ASN A 61 -13.849 -2.988 0.861 1.00 0.00 C ATOM 1001 CG ASN A 61 -14.578 -1.784 0.273 1.00 0.00 C ATOM 1002 OD1 ASN A 61 -15.153 -0.979 0.999 1.00 0.00 O ATOM 1003 ND2 ASN A 61 -14.492 -1.547 -1.022 1.00 0.00 N ATOM 0 H ASN A 61 -11.695 -1.941 -0.068 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.008 -2.047 2.574 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.530 -3.652 0.058 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.530 -3.557 1.494 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.902 -0.699 -1.414 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.015 -2.212 -1.632 1.00 0.00 H new ATOM 1010 N GLY A 62 -11.416 -4.626 1.234 1.00 0.00 N ATOM 1011 CA GLY A 62 -10.518 -5.733 1.535 1.00 0.00 C ATOM 1012 C GLY A 62 -11.268 -6.973 1.962 1.00 0.00 C ATOM 1013 O GLY A 62 -11.454 -7.207 3.153 1.00 0.00 O ATOM 0 H GLY A 62 -11.745 -4.612 0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.915 -5.959 0.656 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.829 -5.436 2.326 1.00 0.00 H new ATOM 1017 N ALA A 63 -11.710 -7.747 0.974 1.00 0.00 N ATOM 1018 CA ALA A 63 -12.075 -9.158 1.057 1.00 0.00 C ATOM 1019 C ALA A 63 -12.713 -9.541 2.396 1.00 0.00 C ATOM 1020 O ALA A 63 -13.196 -10.665 2.565 1.00 0.00 O ATOM 1021 CB ALA A 63 -10.828 -9.997 0.753 1.00 0.00 C ATOM 0 H ALA A 63 -11.831 -7.379 0.030 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.849 -9.361 0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.079 -11.056 0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.467 -9.763 -0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.050 -9.769 1.481 1.00 0.00 H new