USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=6 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= -0.246 K(o=-0.25,f=-1.4!) USER MOD Single : A 127 ASN : amide:sc=-0.00534 X(o=-0.0053,f=-0.12) USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 132 SER OG : rot 180:sc= -0.0507 USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) 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 USER MOD Single : A 159 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 LYS NZ :NH3+ -108:sc= -0.495 (180deg=-2.26!) USER MOD Single : A 166 HIS : no HD1:sc= -1.72 X(o=-1.7,f=-2.1) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 124 -11.107 -19.634 -4.871 1.00 0.00 N ATOM 2 CA GLY A 124 -11.763 -18.297 -4.903 1.00 0.00 C ATOM 3 C GLY A 124 -10.842 -17.188 -4.432 1.00 0.00 C ATOM 4 O GLY A 124 -9.668 -17.426 -4.145 1.00 0.00 O ATOM 0 HA2 GLY A 124 -12.095 -18.083 -5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -12.653 -18.317 -4.274 1.00 0.00 H new ATOM 10 N SER A 125 -11.375 -15.974 -4.353 1.00 0.00 N ATOM 11 CA SER A 125 -10.594 -14.823 -3.914 1.00 0.00 C ATOM 12 C SER A 125 -10.296 -14.904 -2.420 1.00 0.00 C ATOM 13 O SER A 125 -10.946 -14.243 -1.610 1.00 0.00 O ATOM 14 CB SER A 125 -11.340 -13.525 -4.228 1.00 0.00 C ATOM 15 OG SER A 125 -11.714 -13.470 -5.594 1.00 0.00 O ATOM 0 H SER A 125 -12.345 -15.761 -4.587 1.00 0.00 H new ATOM 0 HA SER A 125 -9.648 -14.830 -4.455 1.00 0.00 H new ATOM 0 HB2 SER A 125 -12.229 -13.452 -3.601 1.00 0.00 H new ATOM 0 HB3 SER A 125 -10.708 -12.671 -3.986 1.00 0.00 H new ATOM 0 HG SER A 125 -12.191 -12.632 -5.769 1.00 0.00 H new ATOM 21 N GLN A 126 -9.310 -15.720 -2.063 1.00 0.00 N ATOM 22 CA GLN A 126 -8.926 -15.888 -0.666 1.00 0.00 C ATOM 23 C GLN A 126 -7.801 -14.926 -0.293 1.00 0.00 C ATOM 24 O GLN A 126 -7.851 -14.272 0.749 1.00 0.00 O ATOM 25 CB GLN A 126 -8.490 -17.333 -0.408 1.00 0.00 C ATOM 26 CG GLN A 126 -9.510 -18.144 0.376 1.00 0.00 C ATOM 27 CD GLN A 126 -9.092 -18.372 1.815 1.00 0.00 C ATOM 28 OE1 GLN A 126 -7.905 -18.484 2.119 1.00 0.00 O ATOM 29 NE2 GLN A 126 -10.071 -18.443 2.711 1.00 0.00 N ATOM 0 H GLN A 126 -8.763 -16.275 -2.721 1.00 0.00 H new ATOM 0 HA GLN A 126 -9.792 -15.662 -0.044 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -8.304 -17.824 -1.363 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -7.546 -17.327 0.137 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -10.470 -17.628 0.358 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -9.656 -19.107 -0.113 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -11.042 -18.345 2.414 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -9.851 -18.596 3.695 1.00 0.00 H new ATOM 38 N ASN A 127 -6.789 -14.847 -1.150 1.00 0.00 N ATOM 39 CA ASN A 127 -5.652 -13.965 -0.911 1.00 0.00 C ATOM 40 C ASN A 127 -6.039 -12.506 -1.135 1.00 0.00 C ATOM 41 O ASN A 127 -7.181 -12.202 -1.480 1.00 0.00 O ATOM 42 CB ASN A 127 -4.485 -14.343 -1.827 1.00 0.00 C ATOM 43 CG ASN A 127 -3.149 -14.295 -1.110 1.00 0.00 C ATOM 44 OD1 ASN A 127 -2.972 -14.915 -0.061 1.00 0.00 O ATOM 45 ND2 ASN A 127 -2.201 -13.558 -1.676 1.00 0.00 N ATOM 0 H ASN A 127 -6.733 -15.383 -2.016 1.00 0.00 H new ATOM 0 HA ASN A 127 -5.343 -14.084 0.127 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -4.647 -15.346 -2.222 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -4.461 -13.665 -2.680 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -1.281 -13.489 -1.241 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -2.393 -13.061 -2.546 1.00 0.00 H new ATOM 52 N ASN A 128 -5.079 -11.608 -0.937 1.00 0.00 N ATOM 53 CA ASN A 128 -5.318 -10.180 -1.119 1.00 0.00 C ATOM 54 C ASN A 128 -6.386 -9.679 -0.152 1.00 0.00 C ATOM 55 O ASN A 128 -7.583 -9.821 -0.405 1.00 0.00 O ATOM 56 CB ASN A 128 -5.742 -9.891 -2.561 1.00 0.00 C ATOM 57 CG ASN A 128 -4.779 -10.477 -3.575 1.00 0.00 C ATOM 58 OD1 ASN A 128 -3.563 -10.420 -3.399 1.00 0.00 O ATOM 59 ND2 ASN A 128 -5.322 -11.047 -4.644 1.00 0.00 N ATOM 0 H ASN A 128 -4.129 -11.843 -0.651 1.00 0.00 H new ATOM 0 HA ASN A 128 -4.388 -9.652 -0.909 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -6.738 -10.298 -2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -5.809 -8.813 -2.708 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -4.725 -11.460 -5.360 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -6.336 -11.072 -4.749 1.00 0.00 H new ATOM 66 N ASP A 129 -5.945 -9.090 0.954 1.00 0.00 N ATOM 67 CA ASP A 129 -6.862 -8.564 1.959 1.00 0.00 C ATOM 68 C ASP A 129 -6.652 -7.067 2.153 1.00 0.00 C ATOM 69 O ASP A 129 -7.582 -6.275 1.996 1.00 0.00 O ATOM 70 CB ASP A 129 -6.667 -9.298 3.288 1.00 0.00 C ATOM 71 CG ASP A 129 -7.983 -9.726 3.910 1.00 0.00 C ATOM 72 OD1 ASP A 129 -8.351 -10.911 3.766 1.00 0.00 O ATOM 73 OD2 ASP A 129 -8.646 -8.875 4.540 1.00 0.00 O ATOM 0 H ASP A 129 -4.958 -8.965 1.178 1.00 0.00 H new ATOM 0 HA ASP A 129 -7.882 -8.726 1.609 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -6.042 -10.176 3.127 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -6.133 -8.650 3.983 1.00 0.00 H new ATOM 78 N ALA A 130 -5.426 -6.685 2.494 1.00 0.00 N ATOM 79 CA ALA A 130 -5.091 -5.282 2.709 1.00 0.00 C ATOM 80 C ALA A 130 -4.073 -4.795 1.681 1.00 0.00 C ATOM 81 O ALA A 130 -4.077 -3.626 1.288 1.00 0.00 O ATOM 82 CB ALA A 130 -4.558 -5.078 4.119 1.00 0.00 C ATOM 0 H ALA A 130 -4.646 -7.329 2.628 1.00 0.00 H new ATOM 0 HA ALA A 130 -6.001 -4.694 2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -4.312 -4.026 4.266 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -5.317 -5.378 4.842 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -3.663 -5.684 4.261 1.00 0.00 H new ATOM 88 N LEU A 131 -3.200 -5.702 1.249 1.00 0.00 N ATOM 89 CA LEU A 131 -2.176 -5.368 0.269 1.00 0.00 C ATOM 90 C LEU A 131 -2.166 -6.366 -0.882 1.00 0.00 C ATOM 91 O LEU A 131 -2.783 -7.429 -0.807 1.00 0.00 O ATOM 92 CB LEU A 131 -0.791 -5.354 0.921 1.00 0.00 C ATOM 93 CG LEU A 131 -0.591 -4.341 2.050 1.00 0.00 C ATOM 94 CD1 LEU A 131 -1.242 -3.009 1.715 1.00 0.00 C ATOM 95 CD2 LEU A 131 -1.133 -4.892 3.361 1.00 0.00 C ATOM 0 H LEU A 131 -3.183 -6.672 1.563 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.412 -4.377 -0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.586 -6.350 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -0.049 -5.157 0.147 1.00 0.00 H new ATOM 0 HG LEU A 131 0.479 -4.168 2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -1.083 -2.310 2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.799 -2.606 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -2.312 -3.155 1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -0.983 -4.159 4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -2.198 -5.100 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -0.607 -5.813 3.614 1.00 0.00 H new ATOM 107 N SER A 132 -1.437 -6.020 -1.934 1.00 0.00 N ATOM 108 CA SER A 132 -1.307 -6.881 -3.100 1.00 0.00 C ATOM 109 C SER A 132 0.121 -7.412 -3.186 1.00 0.00 C ATOM 110 O SER A 132 1.010 -6.923 -2.490 1.00 0.00 O ATOM 111 CB SER A 132 -1.666 -6.112 -4.375 1.00 0.00 C ATOM 112 OG SER A 132 -2.930 -6.515 -4.873 1.00 0.00 O ATOM 0 H SER A 132 -0.923 -5.142 -2.003 1.00 0.00 H new ATOM 0 HA SER A 132 -1.996 -7.720 -3.001 1.00 0.00 H new ATOM 0 HB2 SER A 132 -1.677 -5.042 -4.167 1.00 0.00 H new ATOM 0 HB3 SER A 132 -0.902 -6.281 -5.133 1.00 0.00 H new ATOM 0 HG SER A 132 -3.138 -6.009 -5.686 1.00 0.00 H new ATOM 118 N PRO A 133 0.369 -8.422 -4.035 1.00 0.00 N ATOM 119 CA PRO A 133 1.705 -9.000 -4.188 1.00 0.00 C ATOM 120 C PRO A 133 2.763 -7.936 -4.459 1.00 0.00 C ATOM 121 O PRO A 133 3.879 -8.013 -3.948 1.00 0.00 O ATOM 122 CB PRO A 133 1.567 -9.951 -5.387 1.00 0.00 C ATOM 123 CG PRO A 133 0.248 -9.624 -6.011 1.00 0.00 C ATOM 124 CD PRO A 133 -0.611 -9.075 -4.909 1.00 0.00 C ATOM 0 HA PRO A 133 2.034 -9.504 -3.279 1.00 0.00 H new ATOM 0 HB2 PRO A 133 2.382 -9.808 -6.096 1.00 0.00 H new ATOM 0 HB3 PRO A 133 1.602 -10.992 -5.067 1.00 0.00 H new ATOM 0 HG2 PRO A 133 0.366 -8.895 -6.812 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -0.205 -10.512 -6.452 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -1.352 -8.370 -5.286 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -1.156 -9.863 -4.389 1.00 0.00 H new ATOM 132 N ALA A 134 2.402 -6.940 -5.260 1.00 0.00 N ATOM 133 CA ALA A 134 3.320 -5.858 -5.586 1.00 0.00 C ATOM 134 C ALA A 134 3.536 -4.948 -4.384 1.00 0.00 C ATOM 135 O ALA A 134 4.627 -4.413 -4.187 1.00 0.00 O ATOM 136 CB ALA A 134 2.801 -5.061 -6.773 1.00 0.00 C ATOM 0 H ALA A 134 1.482 -6.860 -5.694 1.00 0.00 H new ATOM 0 HA ALA A 134 4.281 -6.296 -5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 134 3.499 -4.256 -7.004 1.00 0.00 H new ATOM 0 HB2 ALA A 134 2.705 -5.717 -7.638 1.00 0.00 H new ATOM 0 HB3 ALA A 134 1.827 -4.638 -6.529 1.00 0.00 H new ATOM 142 N ILE A 135 2.492 -4.782 -3.578 1.00 0.00 N ATOM 143 CA ILE A 135 2.578 -3.939 -2.392 1.00 0.00 C ATOM 144 C ILE A 135 3.431 -4.594 -1.322 1.00 0.00 C ATOM 145 O ILE A 135 4.086 -3.910 -0.545 1.00 0.00 O ATOM 146 CB ILE A 135 1.195 -3.644 -1.788 1.00 0.00 C ATOM 147 CG1 ILE A 135 0.219 -3.179 -2.873 1.00 0.00 C ATOM 148 CG2 ILE A 135 1.320 -2.603 -0.688 1.00 0.00 C ATOM 149 CD1 ILE A 135 0.718 -1.999 -3.677 1.00 0.00 C ATOM 0 H ILE A 135 1.581 -5.218 -3.724 1.00 0.00 H new ATOM 0 HA ILE A 135 3.031 -3.003 -2.717 1.00 0.00 H new ATOM 0 HB ILE A 135 0.798 -4.562 -1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 135 0.020 -4.010 -3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -0.730 -2.914 -2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 135 0.336 -2.400 -0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.980 -2.978 0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.734 -1.684 -1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -0.027 -1.727 -4.425 1.00 0.00 H new ATOM 0 HD12 ILE A 135 0.890 -1.152 -3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 135 1.651 -2.266 -4.174 1.00 0.00 H new ATOM 161 N ARG A 136 3.421 -5.920 -1.278 1.00 0.00 N ATOM 162 CA ARG A 136 4.212 -6.634 -0.287 1.00 0.00 C ATOM 163 C ARG A 136 5.695 -6.414 -0.562 1.00 0.00 C ATOM 164 O ARG A 136 6.483 -6.164 0.355 1.00 0.00 O ATOM 165 CB ARG A 136 3.882 -8.128 -0.308 1.00 0.00 C ATOM 166 CG ARG A 136 2.928 -8.555 0.797 1.00 0.00 C ATOM 167 CD ARG A 136 2.008 -9.674 0.337 1.00 0.00 C ATOM 168 NE ARG A 136 0.659 -9.533 0.880 1.00 0.00 N ATOM 169 CZ ARG A 136 0.331 -9.829 2.136 1.00 0.00 C ATOM 170 NH1 ARG A 136 1.249 -10.283 2.980 1.00 0.00 N ATOM 171 NH2 ARG A 136 -0.920 -9.670 2.549 1.00 0.00 N ATOM 0 H ARG A 136 2.882 -6.515 -1.907 1.00 0.00 H new ATOM 0 HA ARG A 136 3.970 -6.248 0.703 1.00 0.00 H new ATOM 0 HB2 ARG A 136 3.444 -8.382 -1.273 1.00 0.00 H new ATOM 0 HB3 ARG A 136 4.807 -8.697 -0.218 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.499 -8.886 1.665 1.00 0.00 H new ATOM 0 HG3 ARG A 136 2.332 -7.700 1.115 1.00 0.00 H new ATOM 0 HD2 ARG A 136 1.961 -9.680 -0.752 1.00 0.00 H new ATOM 0 HD3 ARG A 136 2.424 -10.634 0.644 1.00 0.00 H new ATOM 0 HE ARG A 136 -0.074 -9.188 0.261 1.00 0.00 H new ATOM 0 HH11 ARG A 136 2.212 -10.407 2.668 1.00 0.00 H new ATOM 0 HH12 ARG A 136 0.991 -10.508 3.941 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -1.629 -9.321 1.904 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -1.172 -9.897 3.511 1.00 0.00 H new ATOM 185 N ARG A 137 6.063 -6.476 -1.839 1.00 0.00 N ATOM 186 CA ARG A 137 7.444 -6.257 -2.239 1.00 0.00 C ATOM 187 C ARG A 137 7.823 -4.806 -1.986 1.00 0.00 C ATOM 188 O ARG A 137 8.870 -4.512 -1.414 1.00 0.00 O ATOM 189 CB ARG A 137 7.633 -6.603 -3.717 1.00 0.00 C ATOM 190 CG ARG A 137 8.482 -7.843 -3.947 1.00 0.00 C ATOM 191 CD ARG A 137 8.542 -8.209 -5.422 1.00 0.00 C ATOM 192 NE ARG A 137 9.806 -7.806 -6.035 1.00 0.00 N ATOM 193 CZ ARG A 137 9.970 -7.608 -7.341 1.00 0.00 C ATOM 194 NH1 ARG A 137 8.956 -7.780 -8.179 1.00 0.00 N ATOM 195 NH2 ARG A 137 11.153 -7.239 -7.811 1.00 0.00 N ATOM 0 H ARG A 137 5.425 -6.675 -2.609 1.00 0.00 H new ATOM 0 HA ARG A 137 8.092 -6.906 -1.649 1.00 0.00 H new ATOM 0 HB2 ARG A 137 6.655 -6.752 -4.175 1.00 0.00 H new ATOM 0 HB3 ARG A 137 8.096 -5.756 -4.224 1.00 0.00 H new ATOM 0 HG2 ARG A 137 9.491 -7.670 -3.572 1.00 0.00 H new ATOM 0 HG3 ARG A 137 8.070 -8.678 -3.380 1.00 0.00 H new ATOM 0 HD2 ARG A 137 8.412 -9.285 -5.534 1.00 0.00 H new ATOM 0 HD3 ARG A 137 7.715 -7.731 -5.948 1.00 0.00 H new ATOM 0 HE ARG A 137 10.612 -7.668 -5.425 1.00 0.00 H new ATOM 0 HH11 ARG A 137 8.044 -8.066 -7.824 1.00 0.00 H new ATOM 0 HH12 ARG A 137 9.089 -7.626 -9.179 1.00 0.00 H new ATOM 0 HH21 ARG A 137 11.937 -7.107 -7.172 1.00 0.00 H new ATOM 0 HH22 ARG A 137 11.279 -7.087 -8.812 1.00 0.00 H new ATOM 209 N LEU A 138 6.942 -3.905 -2.403 1.00 0.00 N ATOM 210 CA LEU A 138 7.156 -2.479 -2.214 1.00 0.00 C ATOM 211 C LEU A 138 7.257 -2.155 -0.731 1.00 0.00 C ATOM 212 O LEU A 138 8.086 -1.356 -0.312 1.00 0.00 O ATOM 213 CB LEU A 138 6.006 -1.683 -2.840 1.00 0.00 C ATOM 214 CG LEU A 138 6.256 -1.194 -4.269 1.00 0.00 C ATOM 215 CD1 LEU A 138 5.118 -1.617 -5.187 1.00 0.00 C ATOM 216 CD2 LEU A 138 6.429 0.317 -4.295 1.00 0.00 C ATOM 0 H LEU A 138 6.069 -4.140 -2.876 1.00 0.00 H new ATOM 0 HA LEU A 138 8.089 -2.201 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 138 5.111 -2.305 -2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 138 5.797 -0.820 -2.209 1.00 0.00 H new ATOM 0 HG LEU A 138 7.177 -1.651 -4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 138 5.314 -1.260 -6.198 1.00 0.00 H new ATOM 0 HD12 LEU A 138 5.042 -2.704 -5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 138 4.182 -1.190 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.606 0.645 -5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 138 5.526 0.793 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 138 7.279 0.597 -3.673 1.00 0.00 H new ATOM 228 N LEU A 139 6.400 -2.790 0.054 1.00 0.00 N ATOM 229 CA LEU A 139 6.374 -2.584 1.493 1.00 0.00 C ATOM 230 C LEU A 139 7.719 -2.938 2.113 1.00 0.00 C ATOM 231 O LEU A 139 8.227 -2.214 2.970 1.00 0.00 O ATOM 232 CB LEU A 139 5.263 -3.432 2.129 1.00 0.00 C ATOM 233 CG LEU A 139 3.888 -2.769 2.225 1.00 0.00 C ATOM 234 CD1 LEU A 139 2.980 -3.559 3.155 1.00 0.00 C ATOM 235 CD2 LEU A 139 4.005 -1.326 2.695 1.00 0.00 C ATOM 0 H LEU A 139 5.708 -3.458 -0.286 1.00 0.00 H new ATOM 0 HA LEU A 139 6.172 -1.530 1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 139 5.162 -4.353 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 139 5.579 -3.716 3.133 1.00 0.00 H new ATOM 0 HG LEU A 139 3.447 -2.763 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 139 2.006 -3.073 3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 139 2.859 -4.572 2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 139 3.424 -3.599 4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 139 3.012 -0.881 2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 139 4.473 -1.301 3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.614 -0.762 1.989 1.00 0.00 H new ATOM 247 N ALA A 140 8.287 -4.059 1.679 1.00 0.00 N ATOM 248 CA ALA A 140 9.573 -4.511 2.198 1.00 0.00 C ATOM 249 C ALA A 140 10.724 -3.637 1.709 1.00 0.00 C ATOM 250 O ALA A 140 11.594 -3.249 2.489 1.00 0.00 O ATOM 251 CB ALA A 140 9.813 -5.964 1.820 1.00 0.00 C ATOM 0 H ALA A 140 7.878 -4.669 0.971 1.00 0.00 H new ATOM 0 HA ALA A 140 9.537 -4.425 3.284 1.00 0.00 H new ATOM 0 HB1 ALA A 140 10.776 -6.288 2.214 1.00 0.00 H new ATOM 0 HB2 ALA A 140 9.022 -6.585 2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 140 9.813 -6.062 0.734 1.00 0.00 H new ATOM 257 N GLU A 141 10.731 -3.336 0.417 1.00 0.00 N ATOM 258 CA GLU A 141 11.786 -2.514 -0.168 1.00 0.00 C ATOM 259 C GLU A 141 11.631 -1.059 0.252 1.00 0.00 C ATOM 260 O GLU A 141 12.603 -0.395 0.612 1.00 0.00 O ATOM 261 CB GLU A 141 11.770 -2.610 -1.696 1.00 0.00 C ATOM 262 CG GLU A 141 11.404 -3.988 -2.222 1.00 0.00 C ATOM 263 CD GLU A 141 12.486 -4.585 -3.102 1.00 0.00 C ATOM 264 OE1 GLU A 141 13.243 -3.809 -3.722 1.00 0.00 O ATOM 265 OE2 GLU A 141 12.576 -5.829 -3.170 1.00 0.00 O ATOM 0 H GLU A 141 10.021 -3.647 -0.246 1.00 0.00 H new ATOM 0 HA GLU A 141 12.740 -2.891 0.199 1.00 0.00 H new ATOM 0 HB2 GLU A 141 11.061 -1.882 -2.089 1.00 0.00 H new ATOM 0 HB3 GLU A 141 12.753 -2.335 -2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 141 11.216 -4.655 -1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 141 10.476 -3.921 -2.789 1.00 0.00 H new ATOM 272 N TRP A 142 10.399 -0.578 0.203 1.00 0.00 N ATOM 273 CA TRP A 142 10.095 0.799 0.577 1.00 0.00 C ATOM 274 C TRP A 142 9.912 0.931 2.089 1.00 0.00 C ATOM 275 O TRP A 142 9.864 2.041 2.618 1.00 0.00 O ATOM 276 CB TRP A 142 8.834 1.279 -0.151 1.00 0.00 C ATOM 277 CG TRP A 142 8.979 1.291 -1.642 1.00 0.00 C ATOM 278 CD1 TRP A 142 9.202 0.216 -2.453 1.00 0.00 C ATOM 279 CD2 TRP A 142 8.912 2.436 -2.500 1.00 0.00 C ATOM 280 NE1 TRP A 142 9.278 0.623 -3.764 1.00 0.00 N ATOM 281 CE2 TRP A 142 9.102 1.982 -3.818 1.00 0.00 C ATOM 282 CE3 TRP A 142 8.709 3.802 -2.281 1.00 0.00 C ATOM 283 CZ2 TRP A 142 9.095 2.843 -4.912 1.00 0.00 C ATOM 284 CZ3 TRP A 142 8.702 4.657 -3.367 1.00 0.00 C ATOM 285 CH2 TRP A 142 8.894 4.175 -4.668 1.00 0.00 C ATOM 0 H TRP A 142 9.588 -1.122 -0.093 1.00 0.00 H new ATOM 0 HA TRP A 142 10.937 1.424 0.281 1.00 0.00 H new ATOM 0 HB2 TRP A 142 7.998 0.634 0.121 1.00 0.00 H new ATOM 0 HB3 TRP A 142 8.586 2.284 0.191 1.00 0.00 H new ATOM 0 HD1 TRP A 142 9.304 -0.805 -2.115 1.00 0.00 H new ATOM 0 HE1 TRP A 142 9.439 0.013 -4.566 1.00 0.00 H new ATOM 0 HE3 TRP A 142 8.560 4.182 -1.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 9.243 2.474 -5.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 8.546 5.714 -3.210 1.00 0.00 H new ATOM 0 HH2 TRP A 142 8.883 4.869 -5.496 1.00 0.00 H new ATOM 296 N ASN A 143 9.814 -0.204 2.782 1.00 0.00 N ATOM 297 CA ASN A 143 9.640 -0.201 4.230 1.00 0.00 C ATOM 298 C ASN A 143 8.444 0.655 4.637 1.00 0.00 C ATOM 299 O ASN A 143 8.568 1.565 5.459 1.00 0.00 O ATOM 300 CB ASN A 143 10.909 0.311 4.915 1.00 0.00 C ATOM 301 CG ASN A 143 11.998 -0.743 4.979 1.00 0.00 C ATOM 302 OD1 ASN A 143 12.024 -1.568 5.890 1.00 0.00 O ATOM 303 ND2 ASN A 143 12.903 -0.718 4.007 1.00 0.00 N ATOM 0 H ASN A 143 9.852 -1.133 2.363 1.00 0.00 H new ATOM 0 HA ASN A 143 9.451 -1.226 4.549 1.00 0.00 H new ATOM 0 HB2 ASN A 143 11.282 1.183 4.377 1.00 0.00 H new ATOM 0 HB3 ASN A 143 10.666 0.640 5.925 1.00 0.00 H new ATOM 0 HD21 ASN A 143 13.659 -1.402 3.997 1.00 0.00 H new ATOM 0 HD22 ASN A 143 12.842 -0.014 3.271 1.00 0.00 H new ATOM 310 N LEU A 144 7.287 0.357 4.057 1.00 0.00 N ATOM 311 CA LEU A 144 6.069 1.099 4.362 1.00 0.00 C ATOM 312 C LEU A 144 5.172 0.304 5.303 1.00 0.00 C ATOM 313 O LEU A 144 5.268 -0.921 5.382 1.00 0.00 O ATOM 314 CB LEU A 144 5.309 1.433 3.075 1.00 0.00 C ATOM 315 CG LEU A 144 5.712 2.745 2.400 1.00 0.00 C ATOM 316 CD1 LEU A 144 4.962 2.920 1.088 1.00 0.00 C ATOM 317 CD2 LEU A 144 5.451 3.924 3.325 1.00 0.00 C ATOM 0 H LEU A 144 7.167 -0.391 3.374 1.00 0.00 H new ATOM 0 HA LEU A 144 6.355 2.028 4.856 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.454 0.619 2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 144 4.244 1.472 3.301 1.00 0.00 H new ATOM 0 HG LEU A 144 6.780 2.708 2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 144 5.260 3.858 0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.198 2.091 0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 144 3.889 2.936 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 144 5.744 4.849 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 144 4.390 3.965 3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 144 6.032 3.804 4.240 1.00 0.00 H new ATOM 329 N ASP A 145 4.296 1.007 6.013 1.00 0.00 N ATOM 330 CA ASP A 145 3.379 0.363 6.946 1.00 0.00 C ATOM 331 C ASP A 145 1.951 0.409 6.413 1.00 0.00 C ATOM 332 O ASP A 145 1.350 1.478 6.312 1.00 0.00 O ATOM 333 CB ASP A 145 3.447 1.044 8.314 1.00 0.00 C ATOM 334 CG ASP A 145 2.835 0.196 9.412 1.00 0.00 C ATOM 335 OD1 ASP A 145 3.418 0.142 10.514 1.00 0.00 O ATOM 336 OD2 ASP A 145 1.772 -0.413 9.168 1.00 0.00 O ATOM 0 H ASP A 145 4.202 2.021 5.960 1.00 0.00 H new ATOM 0 HA ASP A 145 3.678 -0.680 7.054 1.00 0.00 H new ATOM 0 HB2 ASP A 145 4.487 1.257 8.560 1.00 0.00 H new ATOM 0 HB3 ASP A 145 2.929 2.002 8.266 1.00 0.00 H new ATOM 341 N ALA A 146 1.414 -0.756 6.068 1.00 0.00 N ATOM 342 CA ALA A 146 0.058 -0.844 5.543 1.00 0.00 C ATOM 343 C ALA A 146 -0.957 -0.319 6.552 1.00 0.00 C ATOM 344 O ALA A 146 -1.940 0.324 6.182 1.00 0.00 O ATOM 345 CB ALA A 146 -0.268 -2.280 5.161 1.00 0.00 C ATOM 0 H ALA A 146 1.897 -1.651 6.143 1.00 0.00 H new ATOM 0 HA ALA A 146 -0.001 -0.220 4.651 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.284 -2.331 4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.432 -2.621 4.398 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -0.185 -2.918 6.041 1.00 0.00 H new ATOM 351 N SER A 147 -0.711 -0.597 7.826 1.00 0.00 N ATOM 352 CA SER A 147 -1.602 -0.155 8.893 1.00 0.00 C ATOM 353 C SER A 147 -1.661 1.368 8.961 1.00 0.00 C ATOM 354 O SER A 147 -2.688 1.943 9.324 1.00 0.00 O ATOM 355 CB SER A 147 -1.140 -0.717 10.238 1.00 0.00 C ATOM 356 OG SER A 147 -0.948 -2.120 10.167 1.00 0.00 O ATOM 0 H SER A 147 0.099 -1.127 8.147 1.00 0.00 H new ATOM 0 HA SER A 147 -2.602 -0.530 8.673 1.00 0.00 H new ATOM 0 HB2 SER A 147 -0.210 -0.234 10.537 1.00 0.00 H new ATOM 0 HB3 SER A 147 -1.879 -0.487 11.005 1.00 0.00 H new ATOM 0 HG SER A 147 -0.651 -2.454 11.039 1.00 0.00 H new ATOM 362 N ALA A 148 -0.555 2.016 8.610 1.00 0.00 N ATOM 363 CA ALA A 148 -0.485 3.472 8.632 1.00 0.00 C ATOM 364 C ALA A 148 -0.810 4.069 7.265 1.00 0.00 C ATOM 365 O ALA A 148 -0.515 5.235 7.003 1.00 0.00 O ATOM 366 CB ALA A 148 0.896 3.924 9.087 1.00 0.00 C ATOM 0 H ALA A 148 0.304 1.556 8.307 1.00 0.00 H new ATOM 0 HA ALA A 148 -1.232 3.832 9.339 1.00 0.00 H new ATOM 0 HB1 ALA A 148 0.937 5.013 9.100 1.00 0.00 H new ATOM 0 HB2 ALA A 148 1.092 3.542 10.089 1.00 0.00 H new ATOM 0 HB3 ALA A 148 1.649 3.541 8.399 1.00 0.00 H new ATOM 372 N ILE A 149 -1.422 3.268 6.397 1.00 0.00 N ATOM 373 CA ILE A 149 -1.784 3.726 5.060 1.00 0.00 C ATOM 374 C ILE A 149 -3.177 3.237 4.674 1.00 0.00 C ATOM 375 O ILE A 149 -3.435 2.035 4.633 1.00 0.00 O ATOM 376 CB ILE A 149 -0.767 3.244 4.007 1.00 0.00 C ATOM 377 CG1 ILE A 149 0.653 3.637 4.418 1.00 0.00 C ATOM 378 CG2 ILE A 149 -1.101 3.819 2.639 1.00 0.00 C ATOM 379 CD1 ILE A 149 1.729 2.884 3.667 1.00 0.00 C ATOM 0 H ILE A 149 -1.677 2.301 6.595 1.00 0.00 H new ATOM 0 HA ILE A 149 -1.778 4.816 5.083 1.00 0.00 H new ATOM 0 HB ILE A 149 -0.823 2.157 3.947 1.00 0.00 H new ATOM 0 HG12 ILE A 149 0.787 4.706 4.254 1.00 0.00 H new ATOM 0 HG13 ILE A 149 0.775 3.460 5.487 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -0.372 3.468 1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -2.098 3.494 2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -1.073 4.908 2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 149 2.710 3.213 4.009 1.00 0.00 H new ATOM 0 HD12 ILE A 149 1.621 1.815 3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 149 1.633 3.080 2.599 1.00 0.00 H new ATOM 391 N LYS A 150 -4.070 4.180 4.391 1.00 0.00 N ATOM 392 CA LYS A 150 -5.438 3.847 4.009 1.00 0.00 C ATOM 393 C LYS A 150 -5.563 3.712 2.495 1.00 0.00 C ATOM 394 O LYS A 150 -4.861 4.387 1.741 1.00 0.00 O ATOM 395 CB LYS A 150 -6.407 4.916 4.517 1.00 0.00 C ATOM 396 CG LYS A 150 -6.206 5.273 5.982 1.00 0.00 C ATOM 397 CD LYS A 150 -7.370 4.801 6.838 1.00 0.00 C ATOM 398 CE LYS A 150 -6.960 4.635 8.293 1.00 0.00 C ATOM 399 NZ LYS A 150 -7.801 3.627 8.995 1.00 0.00 N ATOM 0 H LYS A 150 -3.871 5.180 4.419 1.00 0.00 H new ATOM 0 HA LYS A 150 -5.692 2.890 4.464 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -6.291 5.816 3.913 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -7.429 4.566 4.374 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.282 4.822 6.343 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -6.094 6.353 6.082 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -8.188 5.518 6.769 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -7.744 3.852 6.454 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.914 4.333 8.343 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -7.040 5.594 8.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -7.490 3.543 9.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -8.796 3.927 8.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -7.705 2.705 8.523 1.00 0.00 H new ATOM 413 N GLY A 151 -6.462 2.839 2.055 1.00 0.00 N ATOM 414 CA GLY A 151 -6.664 2.632 0.634 1.00 0.00 C ATOM 415 C GLY A 151 -8.129 2.489 0.271 1.00 0.00 C ATOM 416 O GLY A 151 -8.972 2.271 1.140 1.00 0.00 O ATOM 0 H GLY A 151 -7.055 2.270 2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -6.237 3.470 0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -6.126 1.737 0.320 1.00 0.00 H new ATOM 420 N THR A 152 -8.433 2.613 -1.017 1.00 0.00 N ATOM 421 CA THR A 152 -9.807 2.496 -1.494 1.00 0.00 C ATOM 422 C THR A 152 -9.972 1.269 -2.386 1.00 0.00 C ATOM 423 O THR A 152 -10.288 1.386 -3.571 1.00 0.00 O ATOM 424 CB THR A 152 -10.211 3.758 -2.257 1.00 0.00 C ATOM 425 OG1 THR A 152 -9.699 4.915 -1.622 1.00 0.00 O ATOM 426 CG2 THR A 152 -11.710 3.928 -2.382 1.00 0.00 C ATOM 0 H THR A 152 -7.747 2.794 -1.749 1.00 0.00 H new ATOM 0 HA THR A 152 -10.459 2.380 -0.628 1.00 0.00 H new ATOM 0 HB THR A 152 -9.790 3.638 -3.255 1.00 0.00 H new ATOM 0 HG1 THR A 152 -9.967 5.711 -2.127 1.00 0.00 H new ATOM 0 HG21 THR A 152 -11.928 4.842 -2.934 1.00 0.00 H new ATOM 0 HG22 THR A 152 -12.130 3.074 -2.914 1.00 0.00 H new ATOM 0 HG23 THR A 152 -12.153 3.990 -1.388 1.00 0.00 H new ATOM 434 N GLY A 153 -9.757 0.091 -1.809 1.00 0.00 N ATOM 435 CA GLY A 153 -9.887 -1.141 -2.565 1.00 0.00 C ATOM 436 C GLY A 153 -11.187 -1.864 -2.273 1.00 0.00 C ATOM 437 O GLY A 153 -12.061 -1.957 -3.136 1.00 0.00 O ATOM 0 H GLY A 153 -9.495 -0.032 -0.831 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.830 -0.918 -3.630 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -9.049 -1.798 -2.331 1.00 0.00 H new ATOM 441 N VAL A 154 -11.318 -2.376 -1.054 1.00 0.00 N ATOM 442 CA VAL A 154 -12.521 -3.094 -0.650 1.00 0.00 C ATOM 443 C VAL A 154 -12.817 -2.884 0.831 1.00 0.00 C ATOM 444 O VAL A 154 -13.956 -2.614 1.212 1.00 0.00 O ATOM 445 CB VAL A 154 -12.395 -4.603 -0.927 1.00 0.00 C ATOM 446 CG1 VAL A 154 -12.405 -4.876 -2.423 1.00 0.00 C ATOM 447 CG2 VAL A 154 -11.136 -5.162 -0.284 1.00 0.00 C ATOM 0 H VAL A 154 -10.605 -2.307 -0.328 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.342 -2.691 -1.242 1.00 0.00 H new ATOM 0 HB VAL A 154 -13.255 -5.106 -0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -12.315 -5.948 -2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -13.340 -4.516 -2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -11.567 -4.360 -2.893 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -11.065 -6.230 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -10.262 -4.654 -0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -11.177 -5.003 0.794 1.00 0.00 H new ATOM 457 N GLY A 155 -11.788 -3.010 1.662 1.00 0.00 N ATOM 458 CA GLY A 155 -11.963 -2.831 3.091 1.00 0.00 C ATOM 459 C GLY A 155 -10.787 -2.127 3.740 1.00 0.00 C ATOM 460 O GLY A 155 -10.416 -2.439 4.871 1.00 0.00 O ATOM 0 H GLY A 155 -10.836 -3.233 1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -12.871 -2.256 3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -12.103 -3.805 3.561 1.00 0.00 H new ATOM 464 N GLY A 156 -10.199 -1.174 3.024 1.00 0.00 N ATOM 465 CA GLY A 156 -9.066 -0.439 3.555 1.00 0.00 C ATOM 466 C GLY A 156 -7.778 -0.723 2.804 1.00 0.00 C ATOM 467 O GLY A 156 -6.823 0.049 2.886 1.00 0.00 O ATOM 0 H GLY A 156 -10.487 -0.898 2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.279 0.629 3.512 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -8.933 -0.695 4.606 1.00 0.00 H new ATOM 471 N ARG A 157 -7.749 -1.834 2.072 1.00 0.00 N ATOM 472 CA ARG A 157 -6.567 -2.217 1.306 1.00 0.00 C ATOM 473 C ARG A 157 -6.143 -1.097 0.360 1.00 0.00 C ATOM 474 O ARG A 157 -6.981 -0.349 -0.144 1.00 0.00 O ATOM 475 CB ARG A 157 -6.845 -3.495 0.510 1.00 0.00 C ATOM 476 CG ARG A 157 -7.830 -3.306 -0.633 1.00 0.00 C ATOM 477 CD ARG A 157 -7.823 -4.498 -1.575 1.00 0.00 C ATOM 478 NE ARG A 157 -8.799 -4.352 -2.654 1.00 0.00 N ATOM 479 CZ ARG A 157 -8.743 -5.026 -3.800 1.00 0.00 C ATOM 480 NH1 ARG A 157 -7.764 -5.894 -4.021 1.00 0.00 N ATOM 481 NH2 ARG A 157 -9.670 -4.833 -4.728 1.00 0.00 N ATOM 0 H ARG A 157 -8.531 -2.484 1.993 1.00 0.00 H new ATOM 0 HA ARG A 157 -5.753 -2.401 2.007 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -5.905 -3.873 0.108 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.231 -4.257 1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -8.833 -3.164 -0.231 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -7.578 -2.402 -1.187 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -6.827 -4.617 -2.001 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -8.039 -5.406 -1.012 1.00 0.00 H new ATOM 0 HE ARG A 157 -9.568 -3.695 -2.520 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -7.049 -6.048 -3.310 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -7.727 -6.407 -4.902 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -10.426 -4.168 -4.563 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -9.627 -5.349 -5.607 1.00 0.00 H new ATOM 495 N LEU A 158 -4.840 -0.987 0.115 1.00 0.00 N ATOM 496 CA LEU A 158 -4.323 0.042 -0.779 1.00 0.00 C ATOM 497 C LEU A 158 -3.645 -0.586 -1.993 1.00 0.00 C ATOM 498 O LEU A 158 -2.894 -1.554 -1.867 1.00 0.00 O ATOM 499 CB LEU A 158 -3.364 0.983 -0.026 1.00 0.00 C ATOM 500 CG LEU A 158 -1.862 0.720 -0.205 1.00 0.00 C ATOM 501 CD1 LEU A 158 -1.097 2.033 -0.261 1.00 0.00 C ATOM 502 CD2 LEU A 158 -1.338 -0.150 0.924 1.00 0.00 C ATOM 0 H LEU A 158 -4.128 -1.594 0.521 1.00 0.00 H new ATOM 0 HA LEU A 158 -5.161 0.638 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -3.571 2.005 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -3.596 0.926 1.038 1.00 0.00 H new ATOM 0 HG LEU A 158 -1.713 0.192 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.034 1.829 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -1.456 2.628 -1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.252 2.585 0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.272 -0.327 0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -1.498 0.355 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -1.867 -1.103 0.925 1.00 0.00 H new ATOM 514 N THR A 159 -3.920 -0.032 -3.167 1.00 0.00 N ATOM 515 CA THR A 159 -3.343 -0.536 -4.407 1.00 0.00 C ATOM 516 C THR A 159 -2.064 0.213 -4.751 1.00 0.00 C ATOM 517 O THR A 159 -1.681 1.152 -4.054 1.00 0.00 O ATOM 518 CB THR A 159 -4.352 -0.410 -5.548 1.00 0.00 C ATOM 519 OG1 THR A 159 -4.369 0.910 -6.061 1.00 0.00 O ATOM 520 CG2 THR A 159 -5.764 -0.759 -5.129 1.00 0.00 C ATOM 0 H THR A 159 -4.541 0.769 -3.287 1.00 0.00 H new ATOM 0 HA THR A 159 -3.097 -1.589 -4.268 1.00 0.00 H new ATOM 0 HB THR A 159 -4.025 -1.121 -6.307 1.00 0.00 H new ATOM 0 HG1 THR A 159 -5.020 0.969 -6.791 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.434 -0.650 -5.982 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.794 -1.789 -4.773 1.00 0.00 H new ATOM 0 HG23 THR A 159 -6.082 -0.089 -4.330 1.00 0.00 H new ATOM 528 N ARG A 160 -1.409 -0.200 -5.834 1.00 0.00 N ATOM 529 CA ARG A 160 -0.166 0.434 -6.260 1.00 0.00 C ATOM 530 C ARG A 160 -0.374 1.927 -6.455 1.00 0.00 C ATOM 531 O ARG A 160 0.464 2.734 -6.060 1.00 0.00 O ATOM 532 CB ARG A 160 0.330 -0.198 -7.562 1.00 0.00 C ATOM 533 CG ARG A 160 1.755 0.191 -7.923 1.00 0.00 C ATOM 534 CD ARG A 160 2.063 -0.109 -9.382 1.00 0.00 C ATOM 535 NE ARG A 160 3.262 -0.930 -9.532 1.00 0.00 N ATOM 536 CZ ARG A 160 3.552 -1.625 -10.629 1.00 0.00 C ATOM 537 NH1 ARG A 160 2.734 -1.601 -11.674 1.00 0.00 N ATOM 538 NH2 ARG A 160 4.664 -2.346 -10.682 1.00 0.00 N ATOM 0 H ARG A 160 -1.718 -0.968 -6.430 1.00 0.00 H new ATOM 0 HA ARG A 160 0.584 0.282 -5.484 1.00 0.00 H new ATOM 0 HB2 ARG A 160 0.269 -1.283 -7.476 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -0.335 0.095 -8.375 1.00 0.00 H new ATOM 0 HG2 ARG A 160 1.903 1.254 -7.730 1.00 0.00 H new ATOM 0 HG3 ARG A 160 2.454 -0.349 -7.284 1.00 0.00 H new ATOM 0 HD2 ARG A 160 1.214 -0.622 -9.833 1.00 0.00 H new ATOM 0 HD3 ARG A 160 2.195 0.827 -9.924 1.00 0.00 H new ATOM 0 HE ARG A 160 3.915 -0.973 -8.750 1.00 0.00 H new ATOM 0 HH11 ARG A 160 1.878 -1.048 -11.639 1.00 0.00 H new ATOM 0 HH12 ARG A 160 2.962 -2.136 -12.512 1.00 0.00 H new ATOM 0 HH21 ARG A 160 5.296 -2.368 -9.882 1.00 0.00 H new ATOM 0 HH22 ARG A 160 4.887 -2.879 -11.523 1.00 0.00 H new ATOM 552 N GLU A 161 -1.505 2.291 -7.042 1.00 0.00 N ATOM 553 CA GLU A 161 -1.826 3.693 -7.261 1.00 0.00 C ATOM 554 C GLU A 161 -1.979 4.416 -5.926 1.00 0.00 C ATOM 555 O GLU A 161 -1.637 5.596 -5.801 1.00 0.00 O ATOM 556 CB GLU A 161 -3.115 3.822 -8.076 1.00 0.00 C ATOM 557 CG GLU A 161 -2.879 3.927 -9.574 1.00 0.00 C ATOM 558 CD GLU A 161 -3.948 4.741 -10.275 1.00 0.00 C ATOM 559 OE1 GLU A 161 -4.218 5.875 -9.830 1.00 0.00 O ATOM 560 OE2 GLU A 161 -4.515 4.244 -11.272 1.00 0.00 O ATOM 0 H GLU A 161 -2.214 1.637 -7.374 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.009 4.152 -7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.749 2.959 -7.876 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.661 4.703 -7.740 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -1.905 4.381 -9.754 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.848 2.926 -10.005 1.00 0.00 H new ATOM 567 N ASP A 162 -2.488 3.699 -4.926 1.00 0.00 N ATOM 568 CA ASP A 162 -2.685 4.271 -3.600 1.00 0.00 C ATOM 569 C ASP A 162 -1.349 4.479 -2.902 1.00 0.00 C ATOM 570 O ASP A 162 -1.168 5.442 -2.156 1.00 0.00 O ATOM 571 CB ASP A 162 -3.579 3.361 -2.755 1.00 0.00 C ATOM 572 CG ASP A 162 -4.966 3.203 -3.346 1.00 0.00 C ATOM 573 OD1 ASP A 162 -5.362 4.054 -4.170 1.00 0.00 O ATOM 574 OD2 ASP A 162 -5.657 2.228 -2.985 1.00 0.00 O ATOM 0 H ASP A 162 -2.770 2.723 -5.011 1.00 0.00 H new ATOM 0 HA ASP A 162 -3.173 5.239 -3.715 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -3.112 2.380 -2.664 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -3.661 3.770 -1.748 1.00 0.00 H new ATOM 579 N VAL A 163 -0.412 3.574 -3.155 1.00 0.00 N ATOM 580 CA VAL A 163 0.910 3.668 -2.550 1.00 0.00 C ATOM 581 C VAL A 163 1.709 4.790 -3.198 1.00 0.00 C ATOM 582 O VAL A 163 2.371 5.560 -2.509 1.00 0.00 O ATOM 583 CB VAL A 163 1.712 2.346 -2.637 1.00 0.00 C ATOM 584 CG1 VAL A 163 2.419 2.069 -1.322 1.00 0.00 C ATOM 585 CG2 VAL A 163 0.820 1.175 -2.996 1.00 0.00 C ATOM 0 H VAL A 163 -0.542 2.771 -3.771 1.00 0.00 H new ATOM 0 HA VAL A 163 0.751 3.881 -1.493 1.00 0.00 H new ATOM 0 HB VAL A 163 2.452 2.463 -3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 163 2.978 1.137 -1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 163 3.105 2.886 -1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 163 1.682 1.985 -0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 163 1.418 0.265 -3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.048 1.059 -2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.352 1.357 -3.963 1.00 0.00 H new ATOM 595 N GLU A 164 1.626 4.898 -4.523 1.00 0.00 N ATOM 596 CA GLU A 164 2.334 5.957 -5.235 1.00 0.00 C ATOM 597 C GLU A 164 1.857 7.310 -4.738 1.00 0.00 C ATOM 598 O GLU A 164 2.655 8.199 -4.445 1.00 0.00 O ATOM 599 CB GLU A 164 2.112 5.856 -6.746 1.00 0.00 C ATOM 600 CG GLU A 164 2.110 4.434 -7.271 1.00 0.00 C ATOM 601 CD GLU A 164 3.069 4.234 -8.428 1.00 0.00 C ATOM 602 OE1 GLU A 164 2.621 4.317 -9.592 1.00 0.00 O ATOM 603 OE2 GLU A 164 4.268 3.995 -8.172 1.00 0.00 O ATOM 0 H GLU A 164 1.082 4.273 -5.118 1.00 0.00 H new ATOM 0 HA GLU A 164 3.401 5.845 -5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 164 1.161 6.327 -6.996 1.00 0.00 H new ATOM 0 HB3 GLU A 164 2.892 6.421 -7.257 1.00 0.00 H new ATOM 0 HG2 GLU A 164 2.376 3.753 -6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.102 4.171 -7.591 1.00 0.00 H new ATOM 610 N LYS A 165 0.540 7.447 -4.633 1.00 0.00 N ATOM 611 CA LYS A 165 -0.059 8.685 -4.152 1.00 0.00 C ATOM 612 C LYS A 165 0.410 8.975 -2.731 1.00 0.00 C ATOM 613 O LYS A 165 0.718 10.116 -2.385 1.00 0.00 O ATOM 614 CB LYS A 165 -1.585 8.590 -4.194 1.00 0.00 C ATOM 615 CG LYS A 165 -2.184 9.001 -5.530 1.00 0.00 C ATOM 616 CD LYS A 165 -2.268 10.515 -5.663 1.00 0.00 C ATOM 617 CE LYS A 165 -1.199 11.055 -6.600 1.00 0.00 C ATOM 618 NZ LYS A 165 -0.100 11.735 -5.859 1.00 0.00 N ATOM 0 H LYS A 165 -0.131 6.718 -4.874 1.00 0.00 H new ATOM 0 HA LYS A 165 0.256 9.501 -4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -1.883 7.565 -3.971 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -2.002 9.221 -3.409 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.578 8.597 -6.341 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -3.180 8.570 -5.631 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -3.254 10.794 -6.035 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -2.157 10.974 -4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -0.786 10.236 -7.190 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -1.652 11.756 -7.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -0.165 12.762 -6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -0.185 11.526 -4.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 0.818 11.392 -6.208 1.00 0.00 H new ATOM 632 N HIS A 166 0.471 7.927 -1.917 1.00 0.00 N ATOM 633 CA HIS A 166 0.915 8.053 -0.533 1.00 0.00 C ATOM 634 C HIS A 166 2.422 8.289 -0.471 1.00 0.00 C ATOM 635 O HIS A 166 2.913 9.026 0.384 1.00 0.00 O ATOM 636 CB HIS A 166 0.556 6.789 0.253 1.00 0.00 C ATOM 637 CG HIS A 166 1.017 6.816 1.679 1.00 0.00 C ATOM 638 ND1 HIS A 166 0.218 7.239 2.720 1.00 0.00 N ATOM 639 CD2 HIS A 166 2.203 6.469 2.232 1.00 0.00 C ATOM 640 CE1 HIS A 166 0.894 7.153 3.853 1.00 0.00 C ATOM 641 NE2 HIS A 166 2.099 6.688 3.584 1.00 0.00 N ATOM 0 H HIS A 166 0.218 6.978 -2.192 1.00 0.00 H new ATOM 0 HA HIS A 166 0.408 8.909 -0.087 1.00 0.00 H new ATOM 0 HB2 HIS A 166 -0.525 6.654 0.232 1.00 0.00 H new ATOM 0 HB3 HIS A 166 0.995 5.925 -0.245 1.00 0.00 H new ATOM 0 HD2 HIS A 166 3.069 6.091 1.708 1.00 0.00 H new ATOM 0 HE1 HIS A 166 0.523 7.418 4.832 1.00 0.00 H new ATOM 0 HE2 HIS A 166 2.835 6.518 4.270 1.00 0.00 H new ATOM 650 N LEU A 167 3.146 7.653 -1.386 1.00 0.00 N ATOM 651 CA LEU A 167 4.596 7.780 -1.448 1.00 0.00 C ATOM 652 C LEU A 167 5.004 9.211 -1.786 1.00 0.00 C ATOM 653 O LEU A 167 5.995 9.725 -1.267 1.00 0.00 O ATOM 654 CB LEU A 167 5.164 6.815 -2.492 1.00 0.00 C ATOM 655 CG LEU A 167 5.257 5.352 -2.050 1.00 0.00 C ATOM 656 CD1 LEU A 167 5.702 4.474 -3.210 1.00 0.00 C ATOM 657 CD2 LEU A 167 6.214 5.212 -0.876 1.00 0.00 C ATOM 0 H LEU A 167 2.748 7.041 -2.099 1.00 0.00 H new ATOM 0 HA LEU A 167 5.002 7.529 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 167 4.544 6.868 -3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 167 6.160 7.156 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 167 4.268 5.023 -1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 167 5.763 3.437 -2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 167 4.981 4.553 -4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 167 6.681 4.802 -3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 167 6.269 4.166 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 167 7.205 5.557 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 167 5.855 5.813 -0.040 1.00 0.00 H new ATOM 669 N ALA A 168 4.231 9.845 -2.659 1.00 0.00 N ATOM 670 CA ALA A 168 4.507 11.216 -3.070 1.00 0.00 C ATOM 671 C ALA A 168 3.926 12.215 -2.075 1.00 0.00 C ATOM 672 O ALA A 168 4.472 13.301 -1.880 1.00 0.00 O ATOM 673 CB ALA A 168 3.952 11.471 -4.463 1.00 0.00 C ATOM 0 H ALA A 168 3.408 9.431 -3.096 1.00 0.00 H new ATOM 0 HA ALA A 168 5.588 11.352 -3.091 1.00 0.00 H new ATOM 0 HB1 ALA A 168 4.165 12.499 -4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.419 10.787 -5.171 1.00 0.00 H new ATOM 0 HB3 ALA A 168 2.874 11.311 -4.460 1.00 0.00 H new ATOM 679 N LYS A 169 2.815 11.840 -1.450 1.00 0.00 N ATOM 680 CA LYS A 169 2.158 12.703 -0.475 1.00 0.00 C ATOM 681 C LYS A 169 2.643 12.392 0.938 1.00 0.00 C ATOM 682 O LYS A 169 1.841 12.225 1.859 1.00 0.00 O ATOM 683 CB LYS A 169 0.640 12.538 -0.558 1.00 0.00 C ATOM 684 CG LYS A 169 0.052 12.970 -1.893 1.00 0.00 C ATOM 685 CD LYS A 169 -1.082 13.967 -1.710 1.00 0.00 C ATOM 686 CE LYS A 169 -2.232 13.363 -0.920 1.00 0.00 C ATOM 687 NZ LYS A 169 -2.984 14.396 -0.155 1.00 0.00 N ATOM 0 H LYS A 169 2.351 10.944 -1.601 1.00 0.00 H new ATOM 0 HA LYS A 169 2.415 13.737 -0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 169 0.386 11.493 -0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 169 0.176 13.119 0.239 1.00 0.00 H new ATOM 0 HG2 LYS A 169 0.834 13.416 -2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -0.315 12.095 -2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -0.710 14.852 -1.194 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -1.441 14.294 -2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -2.911 12.850 -1.602 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -1.844 12.612 -0.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -3.759 13.943 0.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -2.343 14.868 0.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -3.376 15.099 -0.814 1.00 0.00 H new ATOM 701 N ALA A 170 3.959 12.316 1.103 1.00 0.00 N ATOM 702 CA ALA A 170 4.552 12.025 2.402 1.00 0.00 C ATOM 703 C ALA A 170 6.046 12.329 2.405 1.00 0.00 C ATOM 704 O ALA A 170 6.486 13.121 3.265 1.00 0.00 O ATOM 705 CB ALA A 170 4.306 10.572 2.780 1.00 0.00 C ATOM 706 OXT ALA A 170 6.763 11.773 1.547 1.00 0.00 O ATOM 0 H ALA A 170 4.636 12.452 0.352 1.00 0.00 H new ATOM 0 HA ALA A 170 4.077 12.668 3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 170 4.754 10.368 3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 170 3.233 10.385 2.829 1.00 0.00 H new ATOM 0 HB3 ALA A 170 4.754 9.920 2.030 1.00 0.00 H new TER 712 ALA A 170