USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 359 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 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -0.754 K(o=-0.75,f=-4.8!) USER MOD Single : A 127 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.052) USER MOD Single : A 128 ASN : amide:sc= -0.28 K(o=-0.28,f=-2.4!) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= -0.63 K(o=-0.63,f=-2.3) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= -0.0167 USER MOD Single : A 159 THR OG1 : rot 180:sc= 0.00225 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 HIS :FLIP no HD1:sc= -1.88 F(o=-2.5,f=-1.9) USER MOD Single : A 169 LYS NZ :NH3+ -172:sc= -0.178 (180deg=-0.332) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 124 -11.143 -21.060 9.388 1.00 0.00 N ATOM 2 CA GLY A 124 -11.645 -20.601 8.064 1.00 0.00 C ATOM 3 C GLY A 124 -11.571 -19.095 7.906 1.00 0.00 C ATOM 4 O GLY A 124 -12.594 -18.410 7.918 1.00 0.00 O ATOM 0 HA2 GLY A 124 -11.063 -21.075 7.274 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -12.678 -20.926 7.938 1.00 0.00 H new ATOM 10 N SER A 125 -10.355 -18.577 7.758 1.00 0.00 N ATOM 11 CA SER A 125 -10.150 -17.142 7.596 1.00 0.00 C ATOM 12 C SER A 125 -9.467 -16.836 6.266 1.00 0.00 C ATOM 13 O SER A 125 -9.831 -15.886 5.574 1.00 0.00 O ATOM 14 CB SER A 125 -9.312 -16.593 8.751 1.00 0.00 C ATOM 15 OG SER A 125 -9.993 -16.729 9.987 1.00 0.00 O ATOM 0 H SER A 125 -9.498 -19.129 7.747 1.00 0.00 H new ATOM 0 HA SER A 125 -11.126 -16.658 7.602 1.00 0.00 H new ATOM 0 HB2 SER A 125 -8.360 -17.122 8.797 1.00 0.00 H new ATOM 0 HB3 SER A 125 -9.084 -15.542 8.572 1.00 0.00 H new ATOM 0 HG SER A 125 -9.435 -16.372 10.709 1.00 0.00 H new ATOM 21 N GLN A 126 -8.474 -17.647 5.918 1.00 0.00 N ATOM 22 CA GLN A 126 -7.739 -17.464 4.671 1.00 0.00 C ATOM 23 C GLN A 126 -7.059 -16.099 4.636 1.00 0.00 C ATOM 24 O GLN A 126 -6.887 -15.507 3.570 1.00 0.00 O ATOM 25 CB GLN A 126 -8.680 -17.610 3.473 1.00 0.00 C ATOM 26 CG GLN A 126 -7.958 -17.864 2.159 1.00 0.00 C ATOM 27 CD GLN A 126 -7.434 -19.282 2.046 1.00 0.00 C ATOM 28 OE1 GLN A 126 -6.983 -19.870 3.030 1.00 0.00 O ATOM 29 NE2 GLN A 126 -7.489 -19.838 0.842 1.00 0.00 N ATOM 0 H GLN A 126 -8.159 -18.437 6.481 1.00 0.00 H new ATOM 0 HA GLN A 126 -6.970 -18.234 4.615 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -9.371 -18.431 3.663 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -9.279 -16.704 3.380 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -8.638 -17.665 1.331 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -7.127 -17.165 2.064 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -7.871 -19.313 0.055 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -7.149 -20.790 0.704 1.00 0.00 H new ATOM 38 N ASN A 127 -6.673 -15.605 5.808 1.00 0.00 N ATOM 39 CA ASN A 127 -6.010 -14.310 5.913 1.00 0.00 C ATOM 40 C ASN A 127 -6.890 -13.198 5.352 1.00 0.00 C ATOM 41 O ASN A 127 -8.024 -13.438 4.939 1.00 0.00 O ATOM 42 CB ASN A 127 -4.670 -14.338 5.175 1.00 0.00 C ATOM 43 CG ASN A 127 -3.579 -13.603 5.930 1.00 0.00 C ATOM 44 OD1 ASN A 127 -3.093 -14.074 6.958 1.00 0.00 O ATOM 45 ND2 ASN A 127 -3.189 -12.439 5.422 1.00 0.00 N ATOM 0 H ASN A 127 -6.808 -16.082 6.699 1.00 0.00 H new ATOM 0 HA ASN A 127 -5.832 -14.107 6.969 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -4.366 -15.373 5.019 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -4.792 -13.889 4.189 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -2.459 -11.899 5.887 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -3.619 -12.086 4.567 1.00 0.00 H new ATOM 52 N ASN A 128 -6.358 -11.979 5.340 1.00 0.00 N ATOM 53 CA ASN A 128 -7.095 -10.829 4.829 1.00 0.00 C ATOM 54 C ASN A 128 -6.470 -10.314 3.536 1.00 0.00 C ATOM 55 O ASN A 128 -5.363 -10.707 3.171 1.00 0.00 O ATOM 56 CB ASN A 128 -7.124 -9.711 5.874 1.00 0.00 C ATOM 57 CG ASN A 128 -8.353 -9.780 6.760 1.00 0.00 C ATOM 58 OD1 ASN A 128 -9.345 -10.422 6.417 1.00 0.00 O ATOM 59 ND2 ASN A 128 -8.292 -9.116 7.909 1.00 0.00 N ATOM 0 H ASN A 128 -5.420 -11.763 5.678 1.00 0.00 H new ATOM 0 HA ASN A 128 -8.116 -11.147 4.618 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -6.229 -9.773 6.493 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -7.097 -8.745 5.370 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -9.088 -9.126 8.547 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -7.449 -8.596 8.154 1.00 0.00 H new ATOM 66 N ASP A 129 -7.188 -9.430 2.850 1.00 0.00 N ATOM 67 CA ASP A 129 -6.703 -8.860 1.599 1.00 0.00 C ATOM 68 C ASP A 129 -6.562 -7.346 1.712 1.00 0.00 C ATOM 69 O ASP A 129 -7.422 -6.595 1.251 1.00 0.00 O ATOM 70 CB ASP A 129 -7.654 -9.210 0.452 1.00 0.00 C ATOM 71 CG ASP A 129 -6.924 -9.412 -0.862 1.00 0.00 C ATOM 72 OD1 ASP A 129 -5.710 -9.702 -0.827 1.00 0.00 O ATOM 73 OD2 ASP A 129 -7.568 -9.280 -1.923 1.00 0.00 O ATOM 0 H ASP A 129 -8.106 -9.094 3.139 1.00 0.00 H new ATOM 0 HA ASP A 129 -5.721 -9.285 1.391 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -8.203 -10.118 0.703 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -8.390 -8.414 0.337 1.00 0.00 H new ATOM 78 N ALA A 130 -5.471 -6.904 2.328 1.00 0.00 N ATOM 79 CA ALA A 130 -5.215 -5.480 2.504 1.00 0.00 C ATOM 80 C ALA A 130 -4.166 -4.982 1.514 1.00 0.00 C ATOM 81 O ALA A 130 -4.168 -3.812 1.126 1.00 0.00 O ATOM 82 CB ALA A 130 -4.770 -5.197 3.931 1.00 0.00 C ATOM 0 H ALA A 130 -4.749 -7.513 2.714 1.00 0.00 H new ATOM 0 HA ALA A 130 -6.144 -4.944 2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -4.582 -4.130 4.049 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -5.552 -5.506 4.624 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -3.856 -5.752 4.144 1.00 0.00 H new ATOM 88 N LEU A 131 -3.268 -5.877 1.112 1.00 0.00 N ATOM 89 CA LEU A 131 -2.211 -5.528 0.170 1.00 0.00 C ATOM 90 C LEU A 131 -2.120 -6.545 -0.960 1.00 0.00 C ATOM 91 O LEU A 131 -2.713 -7.622 -0.894 1.00 0.00 O ATOM 92 CB LEU A 131 -0.862 -5.455 0.887 1.00 0.00 C ATOM 93 CG LEU A 131 -0.719 -4.314 1.892 1.00 0.00 C ATOM 94 CD1 LEU A 131 -1.664 -4.514 3.068 1.00 0.00 C ATOM 95 CD2 LEU A 131 0.721 -4.209 2.369 1.00 0.00 C ATOM 0 H LEU A 131 -3.252 -6.848 1.424 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.457 -4.554 -0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.694 -6.398 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -0.076 -5.359 0.138 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.987 -3.380 1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -1.547 -3.691 3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -2.692 -4.540 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.430 -5.455 3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.808 -3.392 3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 131 1.015 -5.143 2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 131 1.373 -4.017 1.517 1.00 0.00 H new ATOM 107 N SER A 132 -1.355 -6.199 -1.989 1.00 0.00 N ATOM 108 CA SER A 132 -1.158 -7.077 -3.132 1.00 0.00 C ATOM 109 C SER A 132 0.294 -7.547 -3.183 1.00 0.00 C ATOM 110 O SER A 132 1.158 -6.980 -2.515 1.00 0.00 O ATOM 111 CB SER A 132 -1.526 -6.357 -4.431 1.00 0.00 C ATOM 112 OG SER A 132 -2.667 -6.943 -5.034 1.00 0.00 O ATOM 0 H SER A 132 -0.859 -5.310 -2.053 1.00 0.00 H new ATOM 0 HA SER A 132 -1.809 -7.944 -3.023 1.00 0.00 H new ATOM 0 HB2 SER A 132 -1.720 -5.305 -4.225 1.00 0.00 H new ATOM 0 HB3 SER A 132 -0.685 -6.396 -5.123 1.00 0.00 H new ATOM 0 HG SER A 132 -2.882 -6.464 -5.861 1.00 0.00 H new ATOM 118 N PRO A 133 0.588 -8.590 -3.974 1.00 0.00 N ATOM 119 CA PRO A 133 1.947 -9.120 -4.096 1.00 0.00 C ATOM 120 C PRO A 133 2.974 -8.023 -4.350 1.00 0.00 C ATOM 121 O PRO A 133 4.086 -8.066 -3.826 1.00 0.00 O ATOM 122 CB PRO A 133 1.853 -10.063 -5.295 1.00 0.00 C ATOM 123 CG PRO A 133 0.428 -10.498 -5.322 1.00 0.00 C ATOM 124 CD PRO A 133 -0.375 -9.332 -4.810 1.00 0.00 C ATOM 0 HA PRO A 133 2.280 -9.610 -3.181 1.00 0.00 H new ATOM 0 HB2 PRO A 133 2.130 -9.557 -6.220 1.00 0.00 H new ATOM 0 HB3 PRO A 133 2.525 -10.914 -5.183 1.00 0.00 H new ATOM 0 HG2 PRO A 133 0.122 -10.768 -6.333 1.00 0.00 H new ATOM 0 HG3 PRO A 133 0.278 -11.379 -4.698 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -0.755 -8.717 -5.626 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -1.238 -9.662 -4.231 1.00 0.00 H new ATOM 132 N ALA A 134 2.591 -7.037 -5.152 1.00 0.00 N ATOM 133 CA ALA A 134 3.477 -5.925 -5.465 1.00 0.00 C ATOM 134 C ALA A 134 3.652 -5.013 -4.258 1.00 0.00 C ATOM 135 O ALA A 134 4.720 -4.438 -4.051 1.00 0.00 O ATOM 136 CB ALA A 134 2.945 -5.140 -6.655 1.00 0.00 C ATOM 0 H ALA A 134 1.674 -6.986 -5.596 1.00 0.00 H new ATOM 0 HA ALA A 134 4.454 -6.332 -5.726 1.00 0.00 H new ATOM 0 HB1 ALA A 134 3.619 -4.312 -6.876 1.00 0.00 H new ATOM 0 HB2 ALA A 134 2.879 -5.796 -7.523 1.00 0.00 H new ATOM 0 HB3 ALA A 134 1.955 -4.749 -6.420 1.00 0.00 H new ATOM 142 N ILE A 135 2.596 -4.889 -3.458 1.00 0.00 N ATOM 143 CA ILE A 135 2.642 -4.049 -2.269 1.00 0.00 C ATOM 144 C ILE A 135 3.498 -4.686 -1.188 1.00 0.00 C ATOM 145 O ILE A 135 4.141 -3.988 -0.410 1.00 0.00 O ATOM 146 CB ILE A 135 1.239 -3.786 -1.696 1.00 0.00 C ATOM 147 CG1 ILE A 135 0.292 -3.297 -2.795 1.00 0.00 C ATOM 148 CG2 ILE A 135 1.319 -2.770 -0.564 1.00 0.00 C ATOM 149 CD1 ILE A 135 0.792 -2.066 -3.520 1.00 0.00 C ATOM 0 H ILE A 135 1.703 -5.358 -3.612 1.00 0.00 H new ATOM 0 HA ILE A 135 3.079 -3.099 -2.577 1.00 0.00 H new ATOM 0 HB ILE A 135 0.843 -4.720 -1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 135 0.143 -4.099 -3.518 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -0.681 -3.079 -2.355 1.00 0.00 H new ATOM 0 HG21 ILE A 135 0.321 -2.591 -0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.962 -3.156 0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.732 -1.835 -0.943 1.00 0.00 H new ATOM 0 HD11 ILE A 135 0.071 -1.776 -4.284 1.00 0.00 H new ATOM 0 HD12 ILE A 135 0.915 -1.249 -2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 135 1.751 -2.285 -3.990 1.00 0.00 H new ATOM 161 N ARG A 136 3.508 -6.013 -1.139 1.00 0.00 N ATOM 162 CA ARG A 136 4.305 -6.714 -0.143 1.00 0.00 C ATOM 163 C ARG A 136 5.786 -6.499 -0.429 1.00 0.00 C ATOM 164 O ARG A 136 6.579 -6.232 0.480 1.00 0.00 O ATOM 165 CB ARG A 136 3.976 -8.209 -0.146 1.00 0.00 C ATOM 166 CG ARG A 136 2.945 -8.606 0.900 1.00 0.00 C ATOM 167 CD ARG A 136 1.824 -9.437 0.294 1.00 0.00 C ATOM 168 NE ARG A 136 1.440 -10.552 1.159 1.00 0.00 N ATOM 169 CZ ARG A 136 0.703 -11.584 0.755 1.00 0.00 C ATOM 170 NH1 ARG A 136 0.267 -11.647 -0.498 1.00 0.00 N ATOM 171 NH2 ARG A 136 0.399 -12.555 1.605 1.00 0.00 N ATOM 0 H ARG A 136 2.980 -6.617 -1.769 1.00 0.00 H new ATOM 0 HA ARG A 136 4.069 -6.315 0.843 1.00 0.00 H new ATOM 0 HB2 ARG A 136 3.607 -8.490 -1.133 1.00 0.00 H new ATOM 0 HB3 ARG A 136 4.892 -8.775 0.025 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.431 -9.173 1.694 1.00 0.00 H new ATOM 0 HG3 ARG A 136 2.527 -7.710 1.359 1.00 0.00 H new ATOM 0 HD2 ARG A 136 0.957 -8.801 0.116 1.00 0.00 H new ATOM 0 HD3 ARG A 136 2.141 -9.822 -0.675 1.00 0.00 H new ATOM 0 HE ARG A 136 1.756 -10.538 2.129 1.00 0.00 H new ATOM 0 HH11 ARG A 136 0.497 -10.902 -1.156 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -0.297 -12.440 -0.802 1.00 0.00 H new ATOM 0 HH21 ARG A 136 0.730 -12.511 2.569 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -0.166 -13.346 1.295 1.00 0.00 H new ATOM 185 N ARG A 137 6.147 -6.581 -1.706 1.00 0.00 N ATOM 186 CA ARG A 137 7.524 -6.365 -2.116 1.00 0.00 C ATOM 187 C ARG A 137 7.887 -4.905 -1.910 1.00 0.00 C ATOM 188 O ARG A 137 8.923 -4.583 -1.331 1.00 0.00 O ATOM 189 CB ARG A 137 7.717 -6.762 -3.582 1.00 0.00 C ATOM 190 CG ARG A 137 8.598 -7.986 -3.769 1.00 0.00 C ATOM 191 CD ARG A 137 8.129 -8.837 -4.939 1.00 0.00 C ATOM 192 NE ARG A 137 9.073 -9.906 -5.252 1.00 0.00 N ATOM 193 CZ ARG A 137 9.219 -11.005 -4.515 1.00 0.00 C ATOM 194 NH1 ARG A 137 8.481 -11.186 -3.426 1.00 0.00 N ATOM 195 NH2 ARG A 137 10.102 -11.928 -4.870 1.00 0.00 N ATOM 0 H ARG A 137 5.505 -6.795 -2.470 1.00 0.00 H new ATOM 0 HA ARG A 137 8.180 -6.988 -1.508 1.00 0.00 H new ATOM 0 HB2 ARG A 137 6.742 -6.955 -4.029 1.00 0.00 H new ATOM 0 HB3 ARG A 137 8.155 -5.923 -4.122 1.00 0.00 H new ATOM 0 HG2 ARG A 137 9.628 -7.672 -3.936 1.00 0.00 H new ATOM 0 HG3 ARG A 137 8.591 -8.583 -2.857 1.00 0.00 H new ATOM 0 HD2 ARG A 137 7.156 -9.270 -4.705 1.00 0.00 H new ATOM 0 HD3 ARG A 137 7.994 -8.204 -5.816 1.00 0.00 H new ATOM 0 HE ARG A 137 9.655 -9.805 -6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 137 7.798 -10.481 -3.150 1.00 0.00 H new ATOM 0 HH12 ARG A 137 8.598 -12.030 -2.865 1.00 0.00 H new ATOM 0 HH21 ARG A 137 10.669 -11.796 -5.707 1.00 0.00 H new ATOM 0 HH22 ARG A 137 10.214 -12.770 -4.306 1.00 0.00 H new ATOM 209 N LEU A 138 7.006 -4.025 -2.371 1.00 0.00 N ATOM 210 CA LEU A 138 7.209 -2.592 -2.227 1.00 0.00 C ATOM 211 C LEU A 138 7.328 -2.224 -0.756 1.00 0.00 C ATOM 212 O LEU A 138 8.163 -1.413 -0.373 1.00 0.00 O ATOM 213 CB LEU A 138 6.049 -1.820 -2.859 1.00 0.00 C ATOM 214 CG LEU A 138 6.267 -1.393 -4.313 1.00 0.00 C ATOM 215 CD1 LEU A 138 5.092 -1.820 -5.180 1.00 0.00 C ATOM 216 CD2 LEU A 138 6.479 0.111 -4.404 1.00 0.00 C ATOM 0 H LEU A 138 6.142 -4.282 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 138 8.132 -2.323 -2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 138 5.152 -2.438 -2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 138 5.857 -0.930 -2.260 1.00 0.00 H new ATOM 0 HG LEU A 138 7.164 -1.889 -4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 138 5.267 -1.507 -6.209 1.00 0.00 H new ATOM 0 HD12 LEU A 138 4.988 -2.904 -5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 138 4.178 -1.355 -4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.632 0.395 -5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 138 5.602 0.626 -4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 138 7.355 0.391 -3.819 1.00 0.00 H new ATOM 228 N LEU A 139 6.484 -2.836 0.063 1.00 0.00 N ATOM 229 CA LEU A 139 6.488 -2.582 1.497 1.00 0.00 C ATOM 230 C LEU A 139 7.853 -2.894 2.091 1.00 0.00 C ATOM 231 O LEU A 139 8.395 -2.111 2.873 1.00 0.00 O ATOM 232 CB LEU A 139 5.412 -3.431 2.191 1.00 0.00 C ATOM 233 CG LEU A 139 4.046 -2.765 2.397 1.00 0.00 C ATOM 234 CD1 LEU A 139 3.308 -3.420 3.553 1.00 0.00 C ATOM 235 CD2 LEU A 139 4.184 -1.270 2.645 1.00 0.00 C ATOM 0 H LEU A 139 5.786 -3.514 -0.242 1.00 0.00 H new ATOM 0 HA LEU A 139 6.268 -1.527 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 139 5.265 -4.340 1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 139 5.794 -3.737 3.165 1.00 0.00 H new ATOM 0 HG LEU A 139 3.471 -2.901 1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 139 2.340 -2.937 3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 139 3.159 -4.478 3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 139 3.895 -3.316 4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 139 3.196 -0.832 2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 139 4.786 -1.103 3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.669 -0.802 1.788 1.00 0.00 H new ATOM 247 N ALA A 140 8.399 -4.047 1.719 1.00 0.00 N ATOM 248 CA ALA A 140 9.701 -4.472 2.221 1.00 0.00 C ATOM 249 C ALA A 140 10.841 -3.627 1.655 1.00 0.00 C ATOM 250 O ALA A 140 11.734 -3.206 2.388 1.00 0.00 O ATOM 251 CB ALA A 140 9.929 -5.945 1.912 1.00 0.00 C ATOM 0 H ALA A 140 7.961 -4.703 1.073 1.00 0.00 H new ATOM 0 HA ALA A 140 9.697 -4.327 3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 140 10.904 -6.250 2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 140 9.151 -6.541 2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 140 9.895 -6.100 0.834 1.00 0.00 H new ATOM 257 N GLU A 141 10.811 -3.388 0.349 1.00 0.00 N ATOM 258 CA GLU A 141 11.853 -2.598 -0.304 1.00 0.00 C ATOM 259 C GLU A 141 11.728 -1.128 0.065 1.00 0.00 C ATOM 260 O GLU A 141 12.719 -0.460 0.359 1.00 0.00 O ATOM 261 CB GLU A 141 11.781 -2.750 -1.827 1.00 0.00 C ATOM 262 CG GLU A 141 11.396 -4.143 -2.291 1.00 0.00 C ATOM 263 CD GLU A 141 12.442 -4.770 -3.192 1.00 0.00 C ATOM 264 OE1 GLU A 141 12.060 -5.346 -4.233 1.00 0.00 O ATOM 265 OE2 GLU A 141 13.642 -4.686 -2.857 1.00 0.00 O ATOM 0 H GLU A 141 10.081 -3.727 -0.278 1.00 0.00 H new ATOM 0 HA GLU A 141 12.816 -2.972 0.044 1.00 0.00 H new ATOM 0 HB2 GLU A 141 11.058 -2.035 -2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 141 12.750 -2.491 -2.254 1.00 0.00 H new ATOM 0 HG2 GLU A 141 11.242 -4.782 -1.421 1.00 0.00 H new ATOM 0 HG3 GLU A 141 10.446 -4.095 -2.823 1.00 0.00 H new ATOM 272 N TRP A 142 10.501 -0.635 0.041 1.00 0.00 N ATOM 273 CA TRP A 142 10.224 0.759 0.369 1.00 0.00 C ATOM 274 C TRP A 142 10.102 0.957 1.879 1.00 0.00 C ATOM 275 O TRP A 142 10.079 2.088 2.364 1.00 0.00 O ATOM 276 CB TRP A 142 8.943 1.221 -0.331 1.00 0.00 C ATOM 277 CG TRP A 142 9.034 1.166 -1.825 1.00 0.00 C ATOM 278 CD1 TRP A 142 9.233 0.057 -2.595 1.00 0.00 C ATOM 279 CD2 TRP A 142 8.934 2.271 -2.730 1.00 0.00 C ATOM 280 NE1 TRP A 142 9.261 0.404 -3.925 1.00 0.00 N ATOM 281 CE2 TRP A 142 9.080 1.758 -4.033 1.00 0.00 C ATOM 282 CE3 TRP A 142 8.735 3.643 -2.563 1.00 0.00 C ATOM 283 CZ2 TRP A 142 9.031 2.572 -5.162 1.00 0.00 C ATOM 284 CZ3 TRP A 142 8.686 4.449 -3.685 1.00 0.00 C ATOM 285 CH2 TRP A 142 8.833 3.913 -4.970 1.00 0.00 C ATOM 0 H TRP A 142 9.675 -1.181 -0.203 1.00 0.00 H new ATOM 0 HA TRP A 142 11.060 1.363 0.016 1.00 0.00 H new ATOM 0 HB2 TRP A 142 8.112 0.598 -0.001 1.00 0.00 H new ATOM 0 HB3 TRP A 142 8.717 2.242 -0.025 1.00 0.00 H new ATOM 0 HD1 TRP A 142 9.351 -0.947 -2.215 1.00 0.00 H new ATOM 0 HE1 TRP A 142 9.395 -0.241 -4.704 1.00 0.00 H new ATOM 0 HE3 TRP A 142 8.622 4.066 -1.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 9.145 2.160 -6.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 8.532 5.511 -3.568 1.00 0.00 H new ATOM 0 HH2 TRP A 142 8.789 4.570 -5.826 1.00 0.00 H new ATOM 296 N ASN A 143 10.035 -0.148 2.622 1.00 0.00 N ATOM 297 CA ASN A 143 9.925 -0.088 4.075 1.00 0.00 C ATOM 298 C ASN A 143 8.760 0.795 4.509 1.00 0.00 C ATOM 299 O ASN A 143 8.927 1.713 5.313 1.00 0.00 O ATOM 300 CB ASN A 143 11.230 0.435 4.680 1.00 0.00 C ATOM 301 CG ASN A 143 12.230 -0.674 4.942 1.00 0.00 C ATOM 302 OD1 ASN A 143 12.042 -1.811 4.507 1.00 0.00 O ATOM 303 ND2 ASN A 143 13.301 -0.350 5.658 1.00 0.00 N ATOM 0 H ASN A 143 10.055 -1.093 2.240 1.00 0.00 H new ATOM 0 HA ASN A 143 9.737 -1.098 4.438 1.00 0.00 H new ATOM 0 HB2 ASN A 143 11.672 1.168 4.005 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.013 0.953 5.614 1.00 0.00 H new ATOM 0 HD21 ASN A 143 14.007 -1.056 5.867 1.00 0.00 H new ATOM 0 HD22 ASN A 143 13.417 0.604 5.999 1.00 0.00 H new ATOM 310 N LEU A 144 7.574 0.508 3.980 1.00 0.00 N ATOM 311 CA LEU A 144 6.383 1.276 4.326 1.00 0.00 C ATOM 312 C LEU A 144 5.453 0.452 5.210 1.00 0.00 C ATOM 313 O LEU A 144 5.607 -0.764 5.327 1.00 0.00 O ATOM 314 CB LEU A 144 5.640 1.724 3.063 1.00 0.00 C ATOM 315 CG LEU A 144 6.463 2.558 2.081 1.00 0.00 C ATOM 316 CD1 LEU A 144 5.678 2.795 0.799 1.00 0.00 C ATOM 317 CD2 LEU A 144 6.869 3.880 2.714 1.00 0.00 C ATOM 0 H LEU A 144 7.413 -0.247 3.313 1.00 0.00 H new ATOM 0 HA LEU A 144 6.701 2.161 4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.274 0.838 2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 144 4.766 2.303 3.362 1.00 0.00 H new ATOM 0 HG LEU A 144 7.369 2.006 1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.277 3.390 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.438 1.837 0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 144 4.755 3.327 1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 144 7.454 4.460 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 144 5.976 4.440 2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 144 7.468 3.688 3.604 1.00 0.00 H new ATOM 329 N ASP A 145 4.488 1.120 5.834 1.00 0.00 N ATOM 330 CA ASP A 145 3.536 0.446 6.708 1.00 0.00 C ATOM 331 C ASP A 145 2.119 0.550 6.153 1.00 0.00 C ATOM 332 O ASP A 145 1.554 1.641 6.067 1.00 0.00 O ATOM 333 CB ASP A 145 3.590 1.043 8.115 1.00 0.00 C ATOM 334 CG ASP A 145 3.117 0.068 9.175 1.00 0.00 C ATOM 335 OD1 ASP A 145 3.744 0.014 10.254 1.00 0.00 O ATOM 336 OD2 ASP A 145 2.120 -0.641 8.927 1.00 0.00 O ATOM 0 H ASP A 145 4.345 2.126 5.750 1.00 0.00 H new ATOM 0 HA ASP A 145 3.811 -0.608 6.758 1.00 0.00 H new ATOM 0 HB2 ASP A 145 4.612 1.350 8.338 1.00 0.00 H new ATOM 0 HB3 ASP A 145 2.973 1.941 8.150 1.00 0.00 H new ATOM 341 N ALA A 146 1.550 -0.591 5.779 1.00 0.00 N ATOM 342 CA ALA A 146 0.199 -0.627 5.234 1.00 0.00 C ATOM 343 C ALA A 146 -0.809 -0.062 6.228 1.00 0.00 C ATOM 344 O ALA A 146 -1.786 0.579 5.843 1.00 0.00 O ATOM 345 CB ALA A 146 -0.178 -2.050 4.848 1.00 0.00 C ATOM 0 H ALA A 146 2.004 -1.502 5.843 1.00 0.00 H new ATOM 0 HA ALA A 146 0.178 -0.003 4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.190 -2.061 4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.519 -2.420 4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -0.133 -2.690 5.729 1.00 0.00 H new ATOM 351 N SER A 147 -0.561 -0.305 7.511 1.00 0.00 N ATOM 352 CA SER A 147 -1.443 0.180 8.567 1.00 0.00 C ATOM 353 C SER A 147 -1.473 1.704 8.596 1.00 0.00 C ATOM 354 O SER A 147 -2.471 2.308 8.991 1.00 0.00 O ATOM 355 CB SER A 147 -0.991 -0.360 9.925 1.00 0.00 C ATOM 356 OG SER A 147 -1.992 -0.169 10.910 1.00 0.00 O ATOM 0 H SER A 147 0.244 -0.835 7.845 1.00 0.00 H new ATOM 0 HA SER A 147 -2.450 -0.180 8.358 1.00 0.00 H new ATOM 0 HB2 SER A 147 -0.760 -1.422 9.839 1.00 0.00 H new ATOM 0 HB3 SER A 147 -0.074 0.142 10.232 1.00 0.00 H new ATOM 0 HG SER A 147 -1.679 -0.524 11.768 1.00 0.00 H new ATOM 362 N ALA A 148 -0.373 2.322 8.177 1.00 0.00 N ATOM 363 CA ALA A 148 -0.274 3.776 8.156 1.00 0.00 C ATOM 364 C ALA A 148 -0.672 4.342 6.794 1.00 0.00 C ATOM 365 O ALA A 148 -0.372 5.494 6.481 1.00 0.00 O ATOM 366 CB ALA A 148 1.138 4.212 8.515 1.00 0.00 C ATOM 0 H ALA A 148 0.462 1.838 7.848 1.00 0.00 H new ATOM 0 HA ALA A 148 -0.968 4.170 8.898 1.00 0.00 H new ATOM 0 HB1 ALA A 148 1.199 5.300 8.496 1.00 0.00 H new ATOM 0 HB2 ALA A 148 1.387 3.852 9.513 1.00 0.00 H new ATOM 0 HB3 ALA A 148 1.842 3.797 7.794 1.00 0.00 H new ATOM 372 N ILE A 149 -1.347 3.528 5.986 1.00 0.00 N ATOM 373 CA ILE A 149 -1.783 3.954 4.661 1.00 0.00 C ATOM 374 C ILE A 149 -3.231 3.551 4.405 1.00 0.00 C ATOM 375 O ILE A 149 -3.582 2.373 4.487 1.00 0.00 O ATOM 376 CB ILE A 149 -0.891 3.356 3.558 1.00 0.00 C ATOM 377 CG1 ILE A 149 0.586 3.582 3.887 1.00 0.00 C ATOM 378 CG2 ILE A 149 -1.238 3.964 2.207 1.00 0.00 C ATOM 379 CD1 ILE A 149 1.523 2.684 3.110 1.00 0.00 C ATOM 0 H ILE A 149 -1.603 2.570 6.226 1.00 0.00 H new ATOM 0 HA ILE A 149 -1.701 5.041 4.633 1.00 0.00 H new ATOM 0 HB ILE A 149 -1.072 2.282 3.508 1.00 0.00 H new ATOM 0 HG12 ILE A 149 0.840 4.622 3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 149 0.741 3.419 4.954 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -0.598 3.531 1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -2.282 3.755 1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -1.083 5.042 2.243 1.00 0.00 H new ATOM 0 HD11 ILE A 149 2.553 2.900 3.394 1.00 0.00 H new ATOM 0 HD12 ILE A 149 1.296 1.641 3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 149 1.396 2.863 2.042 1.00 0.00 H new ATOM 391 N LYS A 150 -4.068 4.535 4.095 1.00 0.00 N ATOM 392 CA LYS A 150 -5.479 4.282 3.828 1.00 0.00 C ATOM 393 C LYS A 150 -5.722 4.054 2.339 1.00 0.00 C ATOM 394 O LYS A 150 -5.036 4.626 1.493 1.00 0.00 O ATOM 395 CB LYS A 150 -6.330 5.454 4.326 1.00 0.00 C ATOM 396 CG LYS A 150 -7.489 5.028 5.212 1.00 0.00 C ATOM 397 CD LYS A 150 -7.004 4.527 6.564 1.00 0.00 C ATOM 398 CE LYS A 150 -7.387 5.480 7.684 1.00 0.00 C ATOM 399 NZ LYS A 150 -6.276 6.408 8.030 1.00 0.00 N ATOM 0 H LYS A 150 -3.794 5.515 4.022 1.00 0.00 H new ATOM 0 HA LYS A 150 -5.769 3.378 4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -5.694 6.145 4.880 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -6.721 6.000 3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -8.166 5.870 5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -8.058 4.243 4.715 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -7.429 3.543 6.762 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -5.921 4.408 6.541 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -8.262 6.057 7.386 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -7.669 4.907 8.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -6.579 7.041 8.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -5.449 5.859 8.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -6.023 6.974 7.195 1.00 0.00 H new ATOM 413 N GLY A 151 -6.705 3.214 2.028 1.00 0.00 N ATOM 414 CA GLY A 151 -7.023 2.925 0.643 1.00 0.00 C ATOM 415 C GLY A 151 -8.515 2.962 0.372 1.00 0.00 C ATOM 416 O GLY A 151 -9.249 3.713 1.013 1.00 0.00 O ATOM 0 H GLY A 151 -7.286 2.729 2.711 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -6.522 3.648 -0.000 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -6.633 1.941 0.381 1.00 0.00 H new ATOM 420 N THR A 152 -8.963 2.151 -0.581 1.00 0.00 N ATOM 421 CA THR A 152 -10.377 2.094 -0.933 1.00 0.00 C ATOM 422 C THR A 152 -10.649 0.957 -1.914 1.00 0.00 C ATOM 423 O THR A 152 -11.494 1.076 -2.801 1.00 0.00 O ATOM 424 CB THR A 152 -10.826 3.426 -1.539 1.00 0.00 C ATOM 425 OG1 THR A 152 -9.737 4.088 -2.158 1.00 0.00 O ATOM 426 CG2 THR A 152 -11.421 4.376 -0.521 1.00 0.00 C ATOM 0 H THR A 152 -8.368 1.525 -1.123 1.00 0.00 H new ATOM 0 HA THR A 152 -10.946 1.906 -0.022 1.00 0.00 H new ATOM 0 HB THR A 152 -11.596 3.168 -2.266 1.00 0.00 H new ATOM 0 HG1 THR A 152 -10.044 4.936 -2.541 1.00 0.00 H new ATOM 0 HG21 THR A 152 -11.718 5.300 -1.016 1.00 0.00 H new ATOM 0 HG22 THR A 152 -12.294 3.915 -0.059 1.00 0.00 H new ATOM 0 HG23 THR A 152 -10.679 4.598 0.246 1.00 0.00 H new ATOM 434 N GLY A 153 -9.927 -0.147 -1.749 1.00 0.00 N ATOM 435 CA GLY A 153 -10.107 -1.287 -2.627 1.00 0.00 C ATOM 436 C GLY A 153 -11.463 -1.943 -2.456 1.00 0.00 C ATOM 437 O GLY A 153 -12.205 -2.111 -3.424 1.00 0.00 O ATOM 0 H GLY A 153 -9.221 -0.272 -1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.990 -0.966 -3.662 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -9.325 -2.020 -2.430 1.00 0.00 H new ATOM 441 N VAL A 154 -11.788 -2.313 -1.221 1.00 0.00 N ATOM 442 CA VAL A 154 -13.063 -2.954 -0.925 1.00 0.00 C ATOM 443 C VAL A 154 -13.201 -3.234 0.569 1.00 0.00 C ATOM 444 O VAL A 154 -13.343 -4.384 0.988 1.00 0.00 O ATOM 445 CB VAL A 154 -13.224 -4.272 -1.710 1.00 0.00 C ATOM 446 CG1 VAL A 154 -12.128 -5.258 -1.335 1.00 0.00 C ATOM 447 CG2 VAL A 154 -14.601 -4.874 -1.468 1.00 0.00 C ATOM 0 H VAL A 154 -11.185 -2.179 -0.409 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.848 -2.263 -1.233 1.00 0.00 H new ATOM 0 HB VAL A 154 -13.131 -4.052 -2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -12.260 -6.181 -1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -11.155 -4.826 -1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -12.183 -5.475 -0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -14.696 -5.803 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -14.727 -5.079 -0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -15.368 -4.172 -1.796 1.00 0.00 H new ATOM 457 N GLY A 155 -13.157 -2.174 1.370 1.00 0.00 N ATOM 458 CA GLY A 155 -13.276 -2.324 2.809 1.00 0.00 C ATOM 459 C GLY A 155 -12.025 -1.884 3.543 1.00 0.00 C ATOM 460 O GLY A 155 -12.100 -1.141 4.521 1.00 0.00 O ATOM 0 H GLY A 155 -13.041 -1.213 1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.126 -1.740 3.163 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -13.485 -3.367 3.046 1.00 0.00 H new ATOM 464 N GLY A 156 -10.871 -2.345 3.069 1.00 0.00 N ATOM 465 CA GLY A 156 -9.614 -1.984 3.699 1.00 0.00 C ATOM 466 C GLY A 156 -8.416 -2.569 2.977 1.00 0.00 C ATOM 467 O GLY A 156 -8.032 -3.712 3.222 1.00 0.00 O ATOM 0 H GLY A 156 -10.784 -2.961 2.261 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.523 -0.898 3.727 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -9.616 -2.330 4.733 1.00 0.00 H new ATOM 471 N ARG A 157 -7.825 -1.781 2.084 1.00 0.00 N ATOM 472 CA ARG A 157 -6.664 -2.224 1.320 1.00 0.00 C ATOM 473 C ARG A 157 -6.150 -1.105 0.420 1.00 0.00 C ATOM 474 O ARG A 157 -6.929 -0.287 -0.070 1.00 0.00 O ATOM 475 CB ARG A 157 -7.020 -3.451 0.476 1.00 0.00 C ATOM 476 CG ARG A 157 -8.034 -3.167 -0.620 1.00 0.00 C ATOM 477 CD ARG A 157 -7.778 -4.020 -1.851 1.00 0.00 C ATOM 478 NE ARG A 157 -8.636 -5.203 -1.887 1.00 0.00 N ATOM 479 CZ ARG A 157 -8.493 -6.195 -2.762 1.00 0.00 C ATOM 480 NH1 ARG A 157 -7.532 -6.151 -3.676 1.00 0.00 N ATOM 481 NH2 ARG A 157 -9.315 -7.235 -2.725 1.00 0.00 N ATOM 0 H ARG A 157 -8.131 -0.832 1.872 1.00 0.00 H new ATOM 0 HA ARG A 157 -5.876 -2.493 2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -6.110 -3.846 0.023 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.414 -4.229 1.130 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -9.039 -3.359 -0.246 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -7.992 -2.112 -0.892 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -7.947 -3.423 -2.747 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.733 -4.330 -1.866 1.00 0.00 H new ATOM 0 HE ARG A 157 -9.388 -5.272 -1.201 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -6.897 -5.353 -3.711 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -7.428 -6.915 -4.344 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -10.057 -7.274 -2.026 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -9.206 -7.996 -3.396 1.00 0.00 H new ATOM 495 N LEU A 158 -4.839 -1.074 0.199 1.00 0.00 N ATOM 496 CA LEU A 158 -4.240 -0.051 -0.650 1.00 0.00 C ATOM 497 C LEU A 158 -3.607 -0.681 -1.886 1.00 0.00 C ATOM 498 O LEU A 158 -3.062 -1.783 -1.826 1.00 0.00 O ATOM 499 CB LEU A 158 -3.202 0.762 0.132 1.00 0.00 C ATOM 500 CG LEU A 158 -1.797 0.159 0.193 1.00 0.00 C ATOM 501 CD1 LEU A 158 -0.806 1.172 0.745 1.00 0.00 C ATOM 502 CD2 LEU A 158 -1.797 -1.104 1.040 1.00 0.00 C ATOM 0 H LEU A 158 -4.176 -1.741 0.593 1.00 0.00 H new ATOM 0 HA LEU A 158 -5.029 0.626 -0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -3.133 1.754 -0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -3.565 0.896 1.151 1.00 0.00 H new ATOM 0 HG LEU A 158 -1.490 -0.105 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 158 0.188 0.726 0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.786 2.050 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.108 1.467 1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.790 -1.520 1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.124 -0.864 2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -2.477 -1.835 0.603 1.00 0.00 H new ATOM 514 N THR A 159 -3.690 0.026 -3.005 1.00 0.00 N ATOM 515 CA THR A 159 -3.134 -0.457 -4.262 1.00 0.00 C ATOM 516 C THR A 159 -1.893 0.338 -4.638 1.00 0.00 C ATOM 517 O THR A 159 -1.519 1.279 -3.940 1.00 0.00 O ATOM 518 CB THR A 159 -4.183 -0.362 -5.368 1.00 0.00 C ATOM 519 OG1 THR A 159 -4.290 0.967 -5.848 1.00 0.00 O ATOM 520 CG2 THR A 159 -5.559 -0.798 -4.913 1.00 0.00 C ATOM 0 H THR A 159 -4.139 0.940 -3.068 1.00 0.00 H new ATOM 0 HA THR A 159 -2.846 -1.501 -4.138 1.00 0.00 H new ATOM 0 HB THR A 159 -3.842 -1.035 -6.154 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.966 1.005 -6.557 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.262 -0.708 -5.742 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.521 -1.835 -4.580 1.00 0.00 H new ATOM 0 HG23 THR A 159 -5.887 -0.165 -4.089 1.00 0.00 H new ATOM 528 N ARG A 160 -1.255 -0.042 -5.742 1.00 0.00 N ATOM 529 CA ARG A 160 -0.049 0.640 -6.195 1.00 0.00 C ATOM 530 C ARG A 160 -0.314 2.129 -6.378 1.00 0.00 C ATOM 531 O ARG A 160 0.581 2.955 -6.197 1.00 0.00 O ATOM 532 CB ARG A 160 0.444 0.031 -7.510 1.00 0.00 C ATOM 533 CG ARG A 160 1.943 0.168 -7.719 1.00 0.00 C ATOM 534 CD ARG A 160 2.524 -1.051 -8.418 1.00 0.00 C ATOM 535 NE ARG A 160 2.239 -1.051 -9.852 1.00 0.00 N ATOM 536 CZ ARG A 160 1.255 -1.748 -10.420 1.00 0.00 C ATOM 537 NH1 ARG A 160 0.450 -2.506 -9.684 1.00 0.00 N ATOM 538 NH2 ARG A 160 1.075 -1.686 -11.732 1.00 0.00 N ATOM 0 H ARG A 160 -1.553 -0.816 -6.336 1.00 0.00 H new ATOM 0 HA ARG A 160 0.723 0.513 -5.436 1.00 0.00 H new ATOM 0 HB2 ARG A 160 0.177 -1.026 -7.534 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -0.076 0.510 -8.340 1.00 0.00 H new ATOM 0 HG2 ARG A 160 2.148 1.060 -8.311 1.00 0.00 H new ATOM 0 HG3 ARG A 160 2.434 0.304 -6.756 1.00 0.00 H new ATOM 0 HD2 ARG A 160 3.603 -1.077 -8.263 1.00 0.00 H new ATOM 0 HD3 ARG A 160 2.115 -1.956 -7.968 1.00 0.00 H new ATOM 0 HE ARG A 160 2.831 -0.481 -10.456 1.00 0.00 H new ATOM 0 HH11 ARG A 160 0.582 -2.559 -8.674 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -0.300 -3.035 -10.129 1.00 0.00 H new ATOM 0 HH21 ARG A 160 1.689 -1.106 -12.304 1.00 0.00 H new ATOM 0 HH22 ARG A 160 0.323 -2.218 -12.169 1.00 0.00 H new ATOM 552 N GLU A 161 -1.553 2.469 -6.715 1.00 0.00 N ATOM 553 CA GLU A 161 -1.935 3.862 -6.893 1.00 0.00 C ATOM 554 C GLU A 161 -2.049 4.553 -5.538 1.00 0.00 C ATOM 555 O GLU A 161 -1.739 5.737 -5.399 1.00 0.00 O ATOM 556 CB GLU A 161 -3.261 3.962 -7.648 1.00 0.00 C ATOM 557 CG GLU A 161 -3.338 5.156 -8.587 1.00 0.00 C ATOM 558 CD GLU A 161 -3.493 4.748 -10.040 1.00 0.00 C ATOM 559 OE1 GLU A 161 -4.282 5.398 -10.757 1.00 0.00 O ATOM 560 OE2 GLU A 161 -2.825 3.780 -10.460 1.00 0.00 O ATOM 0 H GLU A 161 -2.307 1.800 -6.870 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.163 4.360 -7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.412 3.048 -8.223 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -4.076 4.024 -6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -4.179 5.786 -8.299 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.436 5.758 -8.477 1.00 0.00 H new ATOM 567 N ASP A 162 -2.488 3.797 -4.537 1.00 0.00 N ATOM 568 CA ASP A 162 -2.634 4.329 -3.190 1.00 0.00 C ATOM 569 C ASP A 162 -1.266 4.536 -2.555 1.00 0.00 C ATOM 570 O ASP A 162 -1.033 5.528 -1.862 1.00 0.00 O ATOM 571 CB ASP A 162 -3.474 3.384 -2.330 1.00 0.00 C ATOM 572 CG ASP A 162 -4.901 3.264 -2.828 1.00 0.00 C ATOM 573 OD1 ASP A 162 -5.422 4.254 -3.383 1.00 0.00 O ATOM 574 OD2 ASP A 162 -5.498 2.179 -2.664 1.00 0.00 O ATOM 0 H ASP A 162 -2.748 2.816 -4.634 1.00 0.00 H new ATOM 0 HA ASP A 162 -3.144 5.290 -3.251 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -3.011 2.397 -2.321 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -3.480 3.743 -1.301 1.00 0.00 H new ATOM 579 N VAL A 163 -0.357 3.599 -2.808 1.00 0.00 N ATOM 580 CA VAL A 163 0.993 3.692 -2.265 1.00 0.00 C ATOM 581 C VAL A 163 1.766 4.792 -2.975 1.00 0.00 C ATOM 582 O VAL A 163 2.423 5.605 -2.333 1.00 0.00 O ATOM 583 CB VAL A 163 1.787 2.364 -2.374 1.00 0.00 C ATOM 584 CG1 VAL A 163 2.507 2.067 -1.070 1.00 0.00 C ATOM 585 CG2 VAL A 163 0.887 1.201 -2.746 1.00 0.00 C ATOM 0 H VAL A 163 -0.529 2.773 -3.381 1.00 0.00 H new ATOM 0 HA VAL A 163 0.883 3.921 -1.205 1.00 0.00 H new ATOM 0 HB VAL A 163 2.522 2.487 -3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 163 3.059 1.132 -1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 163 3.201 2.877 -0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 163 1.778 1.979 -0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 163 1.480 0.289 -2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.117 1.078 -1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.416 1.399 -3.709 1.00 0.00 H new ATOM 595 N GLU A 164 1.676 4.828 -4.306 1.00 0.00 N ATOM 596 CA GLU A 164 2.370 5.853 -5.077 1.00 0.00 C ATOM 597 C GLU A 164 1.914 7.236 -4.627 1.00 0.00 C ATOM 598 O GLU A 164 2.727 8.146 -4.460 1.00 0.00 O ATOM 599 CB GLU A 164 2.129 5.667 -6.578 1.00 0.00 C ATOM 600 CG GLU A 164 0.760 6.130 -7.046 1.00 0.00 C ATOM 601 CD GLU A 164 0.588 6.020 -8.548 1.00 0.00 C ATOM 602 OE1 GLU A 164 0.477 4.882 -9.051 1.00 0.00 O ATOM 603 OE2 GLU A 164 0.561 7.072 -9.222 1.00 0.00 O ATOM 0 H GLU A 164 1.136 4.167 -4.864 1.00 0.00 H new ATOM 0 HA GLU A 164 3.441 5.758 -4.898 1.00 0.00 H new ATOM 0 HB2 GLU A 164 2.894 6.214 -7.129 1.00 0.00 H new ATOM 0 HB3 GLU A 164 2.249 4.613 -6.827 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -0.009 5.536 -6.552 1.00 0.00 H new ATOM 0 HG3 GLU A 164 0.607 7.165 -6.742 1.00 0.00 H new ATOM 610 N LYS A 165 0.611 7.376 -4.407 1.00 0.00 N ATOM 611 CA LYS A 165 0.050 8.639 -3.948 1.00 0.00 C ATOM 612 C LYS A 165 0.597 8.972 -2.566 1.00 0.00 C ATOM 613 O LYS A 165 0.928 10.120 -2.272 1.00 0.00 O ATOM 614 CB LYS A 165 -1.477 8.562 -3.906 1.00 0.00 C ATOM 615 CG LYS A 165 -2.145 9.013 -5.195 1.00 0.00 C ATOM 616 CD LYS A 165 -3.044 10.217 -4.969 1.00 0.00 C ATOM 617 CE LYS A 165 -4.489 9.799 -4.747 1.00 0.00 C ATOM 618 NZ LYS A 165 -4.710 9.273 -3.371 1.00 0.00 N ATOM 0 H LYS A 165 -0.074 6.632 -4.539 1.00 0.00 H new ATOM 0 HA LYS A 165 0.336 9.426 -4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -1.775 7.536 -3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -1.841 9.178 -3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.382 9.261 -5.933 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -2.732 8.192 -5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -2.690 10.780 -4.105 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -2.985 10.883 -5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -5.144 10.653 -4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -4.762 9.036 -5.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -5.707 8.999 -3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -4.103 8.443 -3.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -4.474 10.010 -2.676 1.00 0.00 H new ATOM 632 N HIS A 166 0.704 7.944 -1.729 1.00 0.00 N ATOM 633 CA HIS A 166 1.228 8.100 -0.377 1.00 0.00 C ATOM 634 C HIS A 166 2.735 8.333 -0.423 1.00 0.00 C ATOM 635 O HIS A 166 3.292 9.055 0.405 1.00 0.00 O ATOM 636 CB HIS A 166 0.916 6.851 0.453 1.00 0.00 C ATOM 637 CG HIS A 166 1.562 6.843 1.805 1.00 0.00 C ATOM 638 ND1 HIS A 166 2.859 6.688 2.165 1.00 0.00 N flip ATOM 639 CD2 HIS A 166 0.858 7.002 2.980 1.00 0.00 C flip ATOM 640 CE1 HIS A 166 2.912 6.756 3.535 1.00 0.00 C flip ATOM 641 NE2 HIS A 166 1.693 6.946 4.002 1.00 0.00 N flip ATOM 0 H HIS A 166 0.433 6.990 -1.966 1.00 0.00 H new ATOM 0 HA HIS A 166 0.752 8.963 0.089 1.00 0.00 H new ATOM 0 HB2 HIS A 166 -0.164 6.769 0.577 1.00 0.00 H new ATOM 0 HB3 HIS A 166 1.241 5.969 -0.099 1.00 0.00 H new ATOM 0 HD2 HIS A 166 -0.209 7.149 3.053 1.00 0.00 H new ATOM 0 HE1 HIS A 166 3.807 6.668 4.134 1.00 0.00 H new ATOM 0 HE2 HIS A 166 1.438 7.035 4.986 1.00 0.00 H new ATOM 650 N LEU A 167 3.385 7.710 -1.399 1.00 0.00 N ATOM 651 CA LEU A 167 4.826 7.832 -1.572 1.00 0.00 C ATOM 652 C LEU A 167 5.220 9.284 -1.818 1.00 0.00 C ATOM 653 O LEU A 167 6.277 9.735 -1.378 1.00 0.00 O ATOM 654 CB LEU A 167 5.289 6.957 -2.740 1.00 0.00 C ATOM 655 CG LEU A 167 5.398 5.462 -2.431 1.00 0.00 C ATOM 656 CD1 LEU A 167 5.724 4.681 -3.694 1.00 0.00 C ATOM 657 CD2 LEU A 167 6.451 5.218 -1.362 1.00 0.00 C ATOM 0 H LEU A 167 2.931 7.110 -2.088 1.00 0.00 H new ATOM 0 HA LEU A 167 5.313 7.494 -0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 167 4.595 7.090 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 167 6.262 7.314 -3.077 1.00 0.00 H new ATOM 0 HG LEU A 167 4.437 5.114 -2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 167 5.798 3.620 -3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 167 4.935 4.834 -4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 167 6.673 5.029 -4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 167 6.517 4.150 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 167 7.417 5.579 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 167 6.175 5.749 -0.451 1.00 0.00 H new ATOM 669 N ALA A 168 4.360 10.011 -2.523 1.00 0.00 N ATOM 670 CA ALA A 168 4.614 11.413 -2.828 1.00 0.00 C ATOM 671 C ALA A 168 4.266 12.305 -1.641 1.00 0.00 C ATOM 672 O ALA A 168 4.827 13.389 -1.482 1.00 0.00 O ATOM 673 CB ALA A 168 3.823 11.836 -4.057 1.00 0.00 C ATOM 0 H ALA A 168 3.480 9.652 -2.894 1.00 0.00 H new ATOM 0 HA ALA A 168 5.678 11.528 -3.036 1.00 0.00 H new ATOM 0 HB1 ALA A 168 4.022 12.886 -4.274 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.122 11.226 -4.910 1.00 0.00 H new ATOM 0 HB3 ALA A 168 2.758 11.700 -3.869 1.00 0.00 H new ATOM 679 N LYS A 169 3.338 11.842 -0.808 1.00 0.00 N ATOM 680 CA LYS A 169 2.916 12.598 0.366 1.00 0.00 C ATOM 681 C LYS A 169 4.107 12.925 1.262 1.00 0.00 C ATOM 682 O LYS A 169 4.118 13.949 1.947 1.00 0.00 O ATOM 683 CB LYS A 169 1.866 11.809 1.154 1.00 0.00 C ATOM 684 CG LYS A 169 0.580 12.579 1.394 1.00 0.00 C ATOM 685 CD LYS A 169 -0.113 12.123 2.668 1.00 0.00 C ATOM 686 CE LYS A 169 0.186 13.058 3.830 1.00 0.00 C ATOM 687 NZ LYS A 169 1.643 13.338 3.957 1.00 0.00 N ATOM 0 H LYS A 169 2.864 10.946 -0.925 1.00 0.00 H new ATOM 0 HA LYS A 169 2.476 13.536 0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 169 1.634 10.890 0.615 1.00 0.00 H new ATOM 0 HB3 LYS A 169 2.289 11.517 2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 169 0.800 13.645 1.459 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -0.090 12.443 0.545 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -1.189 12.079 2.502 1.00 0.00 H new ATOM 0 HD3 LYS A 169 0.212 11.113 2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -0.353 13.995 3.690 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -0.181 12.615 4.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 1.820 13.865 4.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 2.168 12.441 3.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 1.960 13.904 3.144 1.00 0.00 H new ATOM 701 N ALA A 170 5.107 12.051 1.253 1.00 0.00 N ATOM 702 CA ALA A 170 6.302 12.247 2.065 1.00 0.00 C ATOM 703 C ALA A 170 7.233 13.277 1.432 1.00 0.00 C ATOM 704 O ALA A 170 7.043 13.590 0.238 1.00 0.00 O ATOM 705 CB ALA A 170 7.029 10.926 2.261 1.00 0.00 C ATOM 706 OXT ALA A 170 8.144 13.761 2.135 1.00 0.00 O ATOM 0 H ALA A 170 5.114 11.199 0.692 1.00 0.00 H new ATOM 0 HA ALA A 170 5.992 12.626 3.039 1.00 0.00 H new ATOM 0 HB1 ALA A 170 7.919 11.087 2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.369 10.219 2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 170 7.320 10.524 1.291 1.00 0.00 H new TER 712 ALA A 170