USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 351 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 126 GLN : amide:sc= -0.416 K(o=-0.42,f=-2.3!) USER MOD Single : A 127 ASN : amide:sc= -0.496 K(o=-0.5,f=-1.6!) USER MOD Single : A 128 ASN : amide:sc= -0.099 X(o=-0.099,f=0) USER MOD Single : A 132 SER OG : rot 180:sc= -1.24 USER MOD Single : A 142 HIS : no HE2:sc= -9.24! C(o=-9.2!,f=-9.8!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 178:sc= -0.146 (180deg=-0.151) USER MOD Single : A 152 THR OG1 : rot -63:sc= 1.21 USER MOD Single : A 159 THR OG1 : rot 16:sc= -0.615! USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 LYS NZ :NH3+ -156:sc= -0.0501 (180deg=-0.356) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 126 -10.522 6.428 -12.664 1.00 0.00 N ATOM 2 CA GLN A 126 -9.590 7.528 -13.028 1.00 0.00 C ATOM 3 C GLN A 126 -9.870 8.783 -12.206 1.00 0.00 C ATOM 4 O GLN A 126 -9.692 9.902 -12.685 1.00 0.00 O ATOM 5 CB GLN A 126 -9.750 7.826 -14.520 1.00 0.00 C ATOM 6 CG GLN A 126 -8.429 8.056 -15.238 1.00 0.00 C ATOM 7 CD GLN A 126 -7.952 9.491 -15.134 1.00 0.00 C ATOM 8 OE1 GLN A 126 -8.755 10.423 -15.096 1.00 0.00 O ATOM 9 NE2 GLN A 126 -6.637 9.675 -15.087 1.00 0.00 N ATOM 0 HA GLN A 126 -8.567 7.218 -12.814 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -10.272 6.995 -14.994 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -10.379 8.708 -14.641 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -7.672 7.394 -14.819 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -8.539 7.789 -16.289 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -6.008 8.873 -15.121 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -6.256 10.619 -15.017 1.00 0.00 H new ATOM 20 N ASN A 127 -10.309 8.587 -10.967 1.00 0.00 N ATOM 21 CA ASN A 127 -10.614 9.702 -10.079 1.00 0.00 C ATOM 22 C ASN A 127 -10.277 9.354 -8.632 1.00 0.00 C ATOM 23 O ASN A 127 -10.180 8.181 -8.272 1.00 0.00 O ATOM 24 CB ASN A 127 -12.092 10.082 -10.192 1.00 0.00 C ATOM 25 CG ASN A 127 -13.012 8.895 -9.987 1.00 0.00 C ATOM 26 OD1 ASN A 127 -12.669 7.942 -9.287 1.00 0.00 O ATOM 27 ND2 ASN A 127 -14.190 8.946 -10.599 1.00 0.00 N ATOM 0 H ASN A 127 -10.461 7.666 -10.555 1.00 0.00 H new ATOM 0 HA ASN A 127 -10.002 10.552 -10.382 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -12.324 10.850 -9.454 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -12.278 10.517 -11.174 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -14.851 8.176 -10.498 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -14.434 9.755 -11.170 1.00 0.00 H new ATOM 34 N ASN A 128 -10.100 10.381 -7.808 1.00 0.00 N ATOM 35 CA ASN A 128 -9.775 10.183 -6.399 1.00 0.00 C ATOM 36 C ASN A 128 -8.451 9.439 -6.248 1.00 0.00 C ATOM 37 O ASN A 128 -7.896 8.934 -7.224 1.00 0.00 O ATOM 38 CB ASN A 128 -10.895 9.410 -5.700 1.00 0.00 C ATOM 39 CG ASN A 128 -11.458 10.159 -4.508 1.00 0.00 C ATOM 40 OD1 ASN A 128 -11.464 9.652 -3.387 1.00 0.00 O ATOM 41 ND2 ASN A 128 -11.935 11.377 -4.747 1.00 0.00 N ATOM 0 H ASN A 128 -10.176 11.358 -8.090 1.00 0.00 H new ATOM 0 HA ASN A 128 -9.675 11.162 -5.931 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -11.696 9.212 -6.413 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -10.515 8.443 -5.371 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -12.326 11.930 -3.985 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -11.910 11.758 -5.693 1.00 0.00 H new ATOM 48 N ASP A 129 -7.950 9.376 -5.018 1.00 0.00 N ATOM 49 CA ASP A 129 -6.692 8.694 -4.739 1.00 0.00 C ATOM 50 C ASP A 129 -6.937 7.380 -4.006 1.00 0.00 C ATOM 51 O ASP A 129 -7.939 7.223 -3.307 1.00 0.00 O ATOM 52 CB ASP A 129 -5.774 9.595 -3.908 1.00 0.00 C ATOM 53 CG ASP A 129 -4.693 10.248 -4.747 1.00 0.00 C ATOM 54 OD1 ASP A 129 -5.039 11.009 -5.675 1.00 0.00 O ATOM 55 OD2 ASP A 129 -3.499 10.000 -4.474 1.00 0.00 O ATOM 0 H ASP A 129 -8.396 9.789 -4.199 1.00 0.00 H new ATOM 0 HA ASP A 129 -6.207 8.472 -5.690 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -6.370 10.368 -3.422 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -5.310 9.006 -3.117 1.00 0.00 H new ATOM 60 N ALA A 130 -6.016 6.435 -4.171 1.00 0.00 N ATOM 61 CA ALA A 130 -6.131 5.132 -3.526 1.00 0.00 C ATOM 62 C ALA A 130 -5.029 4.920 -2.490 1.00 0.00 C ATOM 63 O ALA A 130 -5.102 3.997 -1.678 1.00 0.00 O ATOM 64 CB ALA A 130 -6.094 4.026 -4.570 1.00 0.00 C ATOM 0 H ALA A 130 -5.181 6.548 -4.746 1.00 0.00 H new ATOM 0 HA ALA A 130 -7.087 5.100 -3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -6.181 3.058 -4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -6.923 4.155 -5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.152 4.072 -5.116 1.00 0.00 H new ATOM 70 N LEU A 131 -4.009 5.772 -2.520 1.00 0.00 N ATOM 71 CA LEU A 131 -2.899 5.666 -1.582 1.00 0.00 C ATOM 72 C LEU A 131 -3.174 6.474 -0.317 1.00 0.00 C ATOM 73 O LEU A 131 -4.195 7.152 -0.212 1.00 0.00 O ATOM 74 CB LEU A 131 -1.604 6.149 -2.238 1.00 0.00 C ATOM 75 CG LEU A 131 -0.866 5.095 -3.066 1.00 0.00 C ATOM 76 CD1 LEU A 131 -1.246 5.207 -4.534 1.00 0.00 C ATOM 77 CD2 LEU A 131 0.639 5.239 -2.892 1.00 0.00 C ATOM 0 H LEU A 131 -3.929 6.543 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.790 4.618 -1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -1.835 6.998 -2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -0.933 6.512 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.161 4.108 -2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -0.711 4.450 -5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -2.320 5.055 -4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -0.980 6.197 -4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 131 1.148 4.482 -3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.950 6.230 -3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.898 5.109 -1.841 1.00 0.00 H new ATOM 89 N SER A 132 -2.256 6.394 0.642 1.00 0.00 N ATOM 90 CA SER A 132 -2.400 7.117 1.901 1.00 0.00 C ATOM 91 C SER A 132 -1.170 7.979 2.179 1.00 0.00 C ATOM 92 O SER A 132 -0.102 7.752 1.611 1.00 0.00 O ATOM 93 CB SER A 132 -2.623 6.136 3.054 1.00 0.00 C ATOM 94 OG SER A 132 -3.571 6.641 3.978 1.00 0.00 O ATOM 0 H SER A 132 -1.405 5.836 0.571 1.00 0.00 H new ATOM 0 HA SER A 132 -3.267 7.772 1.818 1.00 0.00 H new ATOM 0 HB2 SER A 132 -2.968 5.180 2.660 1.00 0.00 H new ATOM 0 HB3 SER A 132 -1.678 5.948 3.564 1.00 0.00 H new ATOM 0 HG SER A 132 -3.697 5.995 4.704 1.00 0.00 H new ATOM 100 N PRO A 133 -1.307 8.986 3.060 1.00 0.00 N ATOM 101 CA PRO A 133 -0.201 9.885 3.410 1.00 0.00 C ATOM 102 C PRO A 133 1.014 9.132 3.945 1.00 0.00 C ATOM 103 O PRO A 133 2.118 9.262 3.417 1.00 0.00 O ATOM 104 CB PRO A 133 -0.794 10.781 4.502 1.00 0.00 C ATOM 105 CG PRO A 133 -2.269 10.709 4.298 1.00 0.00 C ATOM 106 CD PRO A 133 -2.546 9.328 3.780 1.00 0.00 C ATOM 0 HA PRO A 133 0.162 10.434 2.541 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.515 10.430 5.496 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.432 11.805 4.412 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -2.802 10.890 5.232 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.603 11.466 3.589 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -2.748 8.627 4.590 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.413 9.312 3.120 1.00 0.00 H new ATOM 114 N ALA A 134 0.802 8.346 4.995 1.00 0.00 N ATOM 115 CA ALA A 134 1.879 7.573 5.599 1.00 0.00 C ATOM 116 C ALA A 134 2.344 6.459 4.668 1.00 0.00 C ATOM 117 O ALA A 134 3.544 6.282 4.436 1.00 0.00 O ATOM 118 CB ALA A 134 1.431 6.998 6.934 1.00 0.00 C ATOM 0 H ALA A 134 -0.106 8.228 5.445 1.00 0.00 H new ATOM 0 HA ALA A 134 2.722 8.242 5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.246 6.423 7.374 1.00 0.00 H new ATOM 0 HB2 ALA A 134 1.156 7.811 7.606 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.570 6.348 6.780 1.00 0.00 H new ATOM 124 N ILE A 135 1.388 5.710 4.128 1.00 0.00 N ATOM 125 CA ILE A 135 1.711 4.621 3.221 1.00 0.00 C ATOM 126 C ILE A 135 2.543 5.122 2.052 1.00 0.00 C ATOM 127 O ILE A 135 3.526 4.500 1.679 1.00 0.00 O ATOM 128 CB ILE A 135 0.454 3.923 2.672 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.419 3.413 3.820 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.852 2.777 1.746 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.726 2.804 3.361 1.00 0.00 C ATOM 0 H ILE A 135 0.391 5.838 4.303 1.00 0.00 H new ATOM 0 HA ILE A 135 2.281 3.896 3.803 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.127 4.646 2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 135 0.140 2.669 4.388 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -0.631 4.239 4.499 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.045 2.290 1.363 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.436 3.168 0.913 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.450 2.053 2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.293 2.464 4.228 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.305 3.551 2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.522 1.957 2.706 1.00 0.00 H new ATOM 143 N ARG A 136 2.146 6.252 1.475 1.00 0.00 N ATOM 144 CA ARG A 136 2.878 6.816 0.345 1.00 0.00 C ATOM 145 C ARG A 136 4.363 6.889 0.665 1.00 0.00 C ATOM 146 O ARG A 136 5.209 6.662 -0.200 1.00 0.00 O ATOM 147 CB ARG A 136 2.344 8.206 -0.006 1.00 0.00 C ATOM 148 CG ARG A 136 1.259 8.190 -1.070 1.00 0.00 C ATOM 149 CD ARG A 136 0.865 9.599 -1.484 1.00 0.00 C ATOM 150 NE ARG A 136 1.987 10.336 -2.060 1.00 0.00 N ATOM 151 CZ ARG A 136 1.863 11.503 -2.687 1.00 0.00 C ATOM 152 NH1 ARG A 136 0.670 12.069 -2.820 1.00 0.00 N ATOM 153 NH2 ARG A 136 2.935 12.107 -3.181 1.00 0.00 N ATOM 0 H ARG A 136 1.330 6.791 1.767 1.00 0.00 H new ATOM 0 HA ARG A 136 2.734 6.165 -0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 136 1.949 8.673 0.896 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.171 8.827 -0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.611 7.638 -1.942 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.384 7.663 -0.691 1.00 0.00 H new ATOM 0 HD2 ARG A 136 0.053 9.550 -2.210 1.00 0.00 H new ATOM 0 HD3 ARG A 136 0.485 10.138 -0.617 1.00 0.00 H new ATOM 0 HE ARG A 136 2.920 9.932 -1.977 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -0.158 11.609 -2.441 1.00 0.00 H new ATOM 0 HH12 ARG A 136 0.581 12.964 -3.302 1.00 0.00 H new ATOM 0 HH21 ARG A 136 3.854 11.677 -3.080 1.00 0.00 H new ATOM 0 HH22 ARG A 136 2.840 13.002 -3.662 1.00 0.00 H new ATOM 167 N ARG A 137 4.670 7.175 1.922 1.00 0.00 N ATOM 168 CA ARG A 137 6.051 7.239 2.364 1.00 0.00 C ATOM 169 C ARG A 137 6.624 5.833 2.399 1.00 0.00 C ATOM 170 O ARG A 137 7.766 5.599 2.000 1.00 0.00 O ATOM 171 CB ARG A 137 6.140 7.879 3.749 1.00 0.00 C ATOM 172 CG ARG A 137 7.547 8.313 4.130 1.00 0.00 C ATOM 173 CD ARG A 137 7.638 9.820 4.314 1.00 0.00 C ATOM 174 NE ARG A 137 7.067 10.545 3.181 1.00 0.00 N ATOM 175 CZ ARG A 137 7.024 11.872 3.096 1.00 0.00 C ATOM 176 NH1 ARG A 137 7.517 12.623 4.073 1.00 0.00 N ATOM 177 NH2 ARG A 137 6.487 12.450 2.030 1.00 0.00 N ATOM 0 H ARG A 137 3.982 7.366 2.650 1.00 0.00 H new ATOM 0 HA ARG A 137 6.625 7.852 1.669 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.480 8.746 3.783 1.00 0.00 H new ATOM 0 HB3 ARG A 137 5.774 7.170 4.492 1.00 0.00 H new ATOM 0 HG2 ARG A 137 7.845 7.815 5.053 1.00 0.00 H new ATOM 0 HG3 ARG A 137 8.248 7.997 3.357 1.00 0.00 H new ATOM 0 HD2 ARG A 137 7.116 10.106 5.227 1.00 0.00 H new ATOM 0 HD3 ARG A 137 8.682 10.108 4.440 1.00 0.00 H new ATOM 0 HE ARG A 137 6.679 10.002 2.410 1.00 0.00 H new ATOM 0 HH11 ARG A 137 7.932 12.183 4.895 1.00 0.00 H new ATOM 0 HH12 ARG A 137 7.481 13.640 4.002 1.00 0.00 H new ATOM 0 HH21 ARG A 137 6.107 11.877 1.276 1.00 0.00 H new ATOM 0 HH22 ARG A 137 6.454 13.467 1.964 1.00 0.00 H new ATOM 191 N LEU A 138 5.809 4.897 2.874 1.00 0.00 N ATOM 192 CA LEU A 138 6.216 3.499 2.959 1.00 0.00 C ATOM 193 C LEU A 138 6.499 2.925 1.570 1.00 0.00 C ATOM 194 O LEU A 138 7.574 2.379 1.324 1.00 0.00 O ATOM 195 CB LEU A 138 5.132 2.670 3.651 1.00 0.00 C ATOM 196 CG LEU A 138 5.473 1.190 3.820 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.604 1.016 4.821 1.00 0.00 C ATOM 198 CD2 LEU A 138 4.249 0.401 4.259 1.00 0.00 C ATOM 0 H LEU A 138 4.862 5.081 3.206 1.00 0.00 H new ATOM 0 HA LEU A 138 7.133 3.452 3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.937 3.099 4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 138 4.208 2.753 3.078 1.00 0.00 H new ATOM 0 HG LEU A 138 5.801 0.803 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 138 6.834 -0.044 4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.489 1.545 4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 138 6.301 1.422 5.786 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.515 -0.650 4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 138 3.888 0.789 5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.465 0.497 3.508 1.00 0.00 H new ATOM 210 N LEU A 139 5.536 3.064 0.662 1.00 0.00 N ATOM 211 CA LEU A 139 5.691 2.565 -0.699 1.00 0.00 C ATOM 212 C LEU A 139 6.876 3.241 -1.368 1.00 0.00 C ATOM 213 O LEU A 139 7.629 2.613 -2.113 1.00 0.00 O ATOM 214 CB LEU A 139 4.418 2.822 -1.509 1.00 0.00 C ATOM 215 CG LEU A 139 3.259 1.869 -1.217 1.00 0.00 C ATOM 216 CD1 LEU A 139 1.940 2.484 -1.659 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.482 0.531 -1.904 1.00 0.00 C ATOM 0 H LEU A 139 4.641 3.518 0.845 1.00 0.00 H new ATOM 0 HA LEU A 139 5.869 1.490 -0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.085 3.842 -1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.662 2.758 -2.569 1.00 0.00 H new ATOM 0 HG LEU A 139 3.216 1.699 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.126 1.792 -1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.775 3.417 -1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.973 2.684 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.647 -0.134 -1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.552 0.682 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.407 0.084 -1.539 1.00 0.00 H new ATOM 229 N ALA A 140 7.038 4.526 -1.081 1.00 0.00 N ATOM 230 CA ALA A 140 8.140 5.297 -1.637 1.00 0.00 C ATOM 231 C ALA A 140 9.475 4.725 -1.176 1.00 0.00 C ATOM 232 O ALA A 140 10.446 4.693 -1.932 1.00 0.00 O ATOM 233 CB ALA A 140 8.019 6.759 -1.237 1.00 0.00 C ATOM 0 H ALA A 140 6.420 5.056 -0.466 1.00 0.00 H new ATOM 0 HA ALA A 140 8.095 5.232 -2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 140 8.851 7.322 -1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.079 7.162 -1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 140 8.041 6.842 -0.150 1.00 0.00 H new ATOM 239 N GLU A 141 9.510 4.267 0.072 1.00 0.00 N ATOM 240 CA GLU A 141 10.715 3.686 0.642 1.00 0.00 C ATOM 241 C GLU A 141 10.950 2.285 0.092 1.00 0.00 C ATOM 242 O GLU A 141 12.056 1.945 -0.330 1.00 0.00 O ATOM 243 CB GLU A 141 10.613 3.635 2.168 1.00 0.00 C ATOM 244 CG GLU A 141 10.594 5.008 2.822 1.00 0.00 C ATOM 245 CD GLU A 141 10.017 4.979 4.224 1.00 0.00 C ATOM 246 OE1 GLU A 141 8.815 4.673 4.365 1.00 0.00 O ATOM 247 OE2 GLU A 141 10.768 5.263 5.181 1.00 0.00 O ATOM 0 H GLU A 141 8.713 4.289 0.708 1.00 0.00 H new ATOM 0 HA GLU A 141 11.559 4.317 0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.707 3.097 2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 141 11.455 3.066 2.561 1.00 0.00 H new ATOM 0 HG2 GLU A 141 11.609 5.403 2.859 1.00 0.00 H new ATOM 0 HG3 GLU A 141 10.009 5.691 2.207 1.00 0.00 H new ATOM 254 N HIS A 142 9.897 1.478 0.094 1.00 0.00 N ATOM 255 CA HIS A 142 9.975 0.111 -0.408 1.00 0.00 C ATOM 256 C HIS A 142 10.135 0.100 -1.927 1.00 0.00 C ATOM 257 O HIS A 142 10.600 -0.885 -2.504 1.00 0.00 O ATOM 258 CB HIS A 142 8.722 -0.674 -0.012 1.00 0.00 C ATOM 259 CG HIS A 142 8.674 -1.046 1.438 1.00 0.00 C ATOM 260 ND1 HIS A 142 9.153 -2.244 1.926 1.00 0.00 N ATOM 261 CD2 HIS A 142 8.190 -0.376 2.510 1.00 0.00 C ATOM 262 CE1 HIS A 142 8.963 -2.292 3.233 1.00 0.00 C ATOM 263 NE2 HIS A 142 8.383 -1.171 3.611 1.00 0.00 N ATOM 0 H HIS A 142 8.976 1.747 0.439 1.00 0.00 H new ATOM 0 HA HIS A 142 10.849 -0.364 0.038 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.841 -0.080 -0.254 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.669 -1.582 -0.612 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.586 -2.978 1.366 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.736 0.604 2.500 1.00 0.00 H new ATOM 0 HE1 HIS A 142 9.237 -3.111 3.881 1.00 0.00 H new ATOM 272 N ASN A 143 9.746 1.200 -2.570 1.00 0.00 N ATOM 273 CA ASN A 143 9.844 1.317 -4.022 1.00 0.00 C ATOM 274 C ASN A 143 8.834 0.401 -4.708 1.00 0.00 C ATOM 275 O ASN A 143 9.196 -0.430 -5.541 1.00 0.00 O ATOM 276 CB ASN A 143 11.263 0.988 -4.493 1.00 0.00 C ATOM 277 CG ASN A 143 11.750 1.938 -5.570 1.00 0.00 C ATOM 278 OD1 ASN A 143 11.933 3.130 -5.326 1.00 0.00 O ATOM 279 ND2 ASN A 143 11.964 1.412 -6.770 1.00 0.00 N ATOM 0 H ASN A 143 9.360 2.023 -2.107 1.00 0.00 H new ATOM 0 HA ASN A 143 9.616 2.347 -4.295 1.00 0.00 H new ATOM 0 HB2 ASN A 143 11.944 1.028 -3.642 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.289 -0.033 -4.874 1.00 0.00 H new ATOM 0 HD21 ASN A 143 12.293 2.002 -7.534 1.00 0.00 H new ATOM 0 HD22 ASN A 143 11.799 0.418 -6.928 1.00 0.00 H new ATOM 286 N LEU A 144 7.563 0.559 -4.348 1.00 0.00 N ATOM 287 CA LEU A 144 6.499 -0.255 -4.925 1.00 0.00 C ATOM 288 C LEU A 144 5.392 0.615 -5.507 1.00 0.00 C ATOM 289 O LEU A 144 5.448 1.842 -5.439 1.00 0.00 O ATOM 290 CB LEU A 144 5.910 -1.193 -3.870 1.00 0.00 C ATOM 291 CG LEU A 144 6.925 -1.806 -2.909 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.217 -2.539 -1.780 1.00 0.00 C ATOM 293 CD2 LEU A 144 7.859 -2.746 -3.656 1.00 0.00 C ATOM 0 H LEU A 144 7.246 1.242 -3.660 1.00 0.00 H new ATOM 0 HA LEU A 144 6.937 -0.846 -5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.170 -0.642 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.381 -1.999 -4.378 1.00 0.00 H new ATOM 0 HG LEU A 144 7.519 -1.003 -2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.957 -2.969 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.588 -1.839 -1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.598 -3.335 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.577 -3.176 -2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.279 -3.545 -4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.391 -2.192 -4.429 1.00 0.00 H new ATOM 305 N ASP A 145 4.384 -0.036 -6.073 1.00 0.00 N ATOM 306 CA ASP A 145 3.252 0.664 -6.667 1.00 0.00 C ATOM 307 C ASP A 145 1.946 0.200 -6.033 1.00 0.00 C ATOM 308 O ASP A 145 1.691 -0.998 -5.920 1.00 0.00 O ATOM 309 CB ASP A 145 3.212 0.428 -8.177 1.00 0.00 C ATOM 310 CG ASP A 145 2.268 1.381 -8.886 1.00 0.00 C ATOM 311 OD1 ASP A 145 2.459 2.608 -8.763 1.00 0.00 O ATOM 312 OD2 ASP A 145 1.337 0.898 -9.565 1.00 0.00 O ATOM 0 H ASP A 145 4.327 -1.053 -6.133 1.00 0.00 H new ATOM 0 HA ASP A 145 3.373 1.731 -6.480 1.00 0.00 H new ATOM 0 HB2 ASP A 145 4.215 0.543 -8.587 1.00 0.00 H new ATOM 0 HB3 ASP A 145 2.903 -0.599 -8.374 1.00 0.00 H new ATOM 317 N ALA A 146 1.122 1.157 -5.616 1.00 0.00 N ATOM 318 CA ALA A 146 -0.158 0.848 -4.985 1.00 0.00 C ATOM 319 C ALA A 146 -0.939 -0.191 -5.785 1.00 0.00 C ATOM 320 O ALA A 146 -1.433 -1.173 -5.231 1.00 0.00 O ATOM 321 CB ALA A 146 -0.978 2.118 -4.821 1.00 0.00 C ATOM 0 H ALA A 146 1.318 2.154 -5.704 1.00 0.00 H new ATOM 0 HA ALA A 146 0.044 0.424 -4.002 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.931 1.878 -4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -0.432 2.825 -4.196 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -1.159 2.563 -5.799 1.00 0.00 H new ATOM 327 N SER A 147 -1.047 0.032 -7.090 1.00 0.00 N ATOM 328 CA SER A 147 -1.767 -0.884 -7.964 1.00 0.00 C ATOM 329 C SER A 147 -1.098 -2.257 -8.001 1.00 0.00 C ATOM 330 O SER A 147 -1.710 -3.242 -8.414 1.00 0.00 O ATOM 331 CB SER A 147 -1.851 -0.308 -9.379 1.00 0.00 C ATOM 332 OG SER A 147 -2.532 -1.194 -10.251 1.00 0.00 O ATOM 0 H SER A 147 -0.645 0.840 -7.565 1.00 0.00 H new ATOM 0 HA SER A 147 -2.773 -1.006 -7.564 1.00 0.00 H new ATOM 0 HB2 SER A 147 -2.368 0.651 -9.354 1.00 0.00 H new ATOM 0 HB3 SER A 147 -0.847 -0.120 -9.759 1.00 0.00 H new ATOM 0 HG SER A 147 -2.574 -0.802 -11.148 1.00 0.00 H new ATOM 338 N ALA A 148 0.161 -2.317 -7.573 1.00 0.00 N ATOM 339 CA ALA A 148 0.905 -3.573 -7.566 1.00 0.00 C ATOM 340 C ALA A 148 0.832 -4.266 -6.206 1.00 0.00 C ATOM 341 O ALA A 148 1.608 -5.180 -5.929 1.00 0.00 O ATOM 342 CB ALA A 148 2.354 -3.325 -7.955 1.00 0.00 C ATOM 0 H ALA A 148 0.685 -1.513 -7.228 1.00 0.00 H new ATOM 0 HA ALA A 148 0.445 -4.236 -8.298 1.00 0.00 H new ATOM 0 HB1 ALA A 148 2.900 -4.269 -7.946 1.00 0.00 H new ATOM 0 HB2 ALA A 148 2.393 -2.892 -8.955 1.00 0.00 H new ATOM 0 HB3 ALA A 148 2.809 -2.636 -7.243 1.00 0.00 H new ATOM 348 N ILE A 149 -0.102 -3.833 -5.361 1.00 0.00 N ATOM 349 CA ILE A 149 -0.262 -4.428 -4.036 1.00 0.00 C ATOM 350 C ILE A 149 -1.717 -4.365 -3.580 1.00 0.00 C ATOM 351 O ILE A 149 -2.518 -3.610 -4.130 1.00 0.00 O ATOM 352 CB ILE A 149 0.636 -3.736 -2.985 1.00 0.00 C ATOM 353 CG1 ILE A 149 1.972 -3.323 -3.614 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.862 -4.662 -1.793 1.00 0.00 C ATOM 355 CD1 ILE A 149 2.971 -2.768 -2.622 1.00 0.00 C ATOM 0 H ILE A 149 -0.755 -3.078 -5.568 1.00 0.00 H new ATOM 0 HA ILE A 149 0.044 -5.471 -4.120 1.00 0.00 H new ATOM 0 HB ILE A 149 0.133 -2.836 -2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.411 -4.188 -4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 149 1.784 -2.574 -4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 149 1.496 -4.163 -1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -0.097 -4.908 -1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 149 1.348 -5.577 -2.130 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.890 -2.499 -3.143 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.554 -1.883 -2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 149 3.190 -3.522 -1.866 1.00 0.00 H new ATOM 367 N LYS A 150 -2.053 -5.172 -2.577 1.00 0.00 N ATOM 368 CA LYS A 150 -3.414 -5.223 -2.046 1.00 0.00 C ATOM 369 C LYS A 150 -3.941 -3.828 -1.713 1.00 0.00 C ATOM 370 O LYS A 150 -3.185 -2.946 -1.312 1.00 0.00 O ATOM 371 CB LYS A 150 -3.460 -6.105 -0.797 1.00 0.00 C ATOM 372 CG LYS A 150 -3.747 -7.569 -1.094 1.00 0.00 C ATOM 373 CD LYS A 150 -2.466 -8.350 -1.350 1.00 0.00 C ATOM 374 CE LYS A 150 -2.452 -8.960 -2.742 1.00 0.00 C ATOM 375 NZ LYS A 150 -2.356 -7.920 -3.804 1.00 0.00 N ATOM 0 H LYS A 150 -1.399 -5.802 -2.113 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.054 -5.650 -2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.507 -6.029 -0.274 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -4.225 -5.723 -0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -4.283 -8.013 -0.255 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.399 -7.643 -1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -1.607 -7.690 -1.233 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -2.365 -9.139 -0.605 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -1.610 -9.646 -2.829 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -3.358 -9.547 -2.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -2.315 -8.379 -4.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -3.190 -7.300 -3.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -1.496 -7.354 -3.659 1.00 0.00 H new ATOM 389 N GLY A 151 -5.247 -3.646 -1.880 1.00 0.00 N ATOM 390 CA GLY A 151 -5.869 -2.366 -1.592 1.00 0.00 C ATOM 391 C GLY A 151 -7.254 -2.527 -0.995 1.00 0.00 C ATOM 392 O GLY A 151 -8.256 -2.223 -1.642 1.00 0.00 O ATOM 0 H GLY A 151 -5.889 -4.366 -2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.240 -1.805 -0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.936 -1.781 -2.509 1.00 0.00 H new ATOM 396 N THR A 152 -7.312 -3.013 0.243 1.00 0.00 N ATOM 397 CA THR A 152 -8.585 -3.221 0.926 1.00 0.00 C ATOM 398 C THR A 152 -8.940 -2.032 1.815 1.00 0.00 C ATOM 399 O THR A 152 -9.619 -2.187 2.830 1.00 0.00 O ATOM 400 CB THR A 152 -8.532 -4.499 1.765 1.00 0.00 C ATOM 401 OG1 THR A 152 -9.734 -4.670 2.495 1.00 0.00 O ATOM 402 CG2 THR A 152 -7.386 -4.517 2.755 1.00 0.00 C ATOM 0 H THR A 152 -6.492 -3.270 0.793 1.00 0.00 H new ATOM 0 HA THR A 152 -9.359 -3.320 0.165 1.00 0.00 H new ATOM 0 HB THR A 152 -8.386 -5.309 1.050 1.00 0.00 H new ATOM 0 HG1 THR A 152 -9.838 -3.932 3.131 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.406 -5.450 3.318 1.00 0.00 H new ATOM 0 HG22 THR A 152 -6.441 -4.437 2.219 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.486 -3.677 3.442 1.00 0.00 H new ATOM 410 N GLY A 153 -8.481 -0.847 1.427 1.00 0.00 N ATOM 411 CA GLY A 153 -8.763 0.348 2.199 1.00 0.00 C ATOM 412 C GLY A 153 -10.244 0.667 2.259 1.00 0.00 C ATOM 413 O GLY A 153 -11.067 -0.210 2.522 1.00 0.00 O ATOM 0 H GLY A 153 -7.918 -0.693 0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -8.381 0.220 3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.231 1.193 1.762 1.00 0.00 H new ATOM 417 N VAL A 154 -10.585 1.928 2.015 1.00 0.00 N ATOM 418 CA VAL A 154 -11.976 2.363 2.045 1.00 0.00 C ATOM 419 C VAL A 154 -12.678 2.069 0.720 1.00 0.00 C ATOM 420 O VAL A 154 -13.205 2.971 0.069 1.00 0.00 O ATOM 421 CB VAL A 154 -12.089 3.869 2.353 1.00 0.00 C ATOM 422 CG1 VAL A 154 -13.531 4.246 2.654 1.00 0.00 C ATOM 423 CG2 VAL A 154 -11.180 4.248 3.513 1.00 0.00 C ATOM 0 H VAL A 154 -9.917 2.666 1.794 1.00 0.00 H new ATOM 0 HA VAL A 154 -12.464 1.800 2.841 1.00 0.00 H new ATOM 0 HB VAL A 154 -11.767 4.425 1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -13.591 5.313 2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -14.155 4.014 1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -13.882 3.682 3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -11.274 5.315 3.715 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -11.468 3.684 4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -10.146 4.017 3.256 1.00 0.00 H new ATOM 433 N GLY A 155 -12.685 0.798 0.329 1.00 0.00 N ATOM 434 CA GLY A 155 -13.329 0.408 -0.910 1.00 0.00 C ATOM 435 C GLY A 155 -12.376 0.390 -2.090 1.00 0.00 C ATOM 436 O GLY A 155 -12.739 0.795 -3.194 1.00 0.00 O ATOM 0 H GLY A 155 -12.256 0.032 0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -13.769 -0.582 -0.789 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -14.147 1.096 -1.121 1.00 0.00 H new ATOM 440 N GLY A 156 -11.156 -0.085 -1.861 1.00 0.00 N ATOM 441 CA GLY A 156 -10.174 -0.149 -2.928 1.00 0.00 C ATOM 442 C GLY A 156 -9.050 0.854 -2.752 1.00 0.00 C ATOM 443 O GLY A 156 -8.818 1.695 -3.620 1.00 0.00 O ATOM 0 H GLY A 156 -10.830 -0.426 -0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.755 -1.154 -2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.669 0.030 -3.883 1.00 0.00 H new ATOM 447 N ARG A 157 -8.349 0.764 -1.626 1.00 0.00 N ATOM 448 CA ARG A 157 -7.240 1.668 -1.340 1.00 0.00 C ATOM 449 C ARG A 157 -6.112 0.931 -0.625 1.00 0.00 C ATOM 450 O ARG A 157 -6.357 0.071 0.222 1.00 0.00 O ATOM 451 CB ARG A 157 -7.710 2.852 -0.488 1.00 0.00 C ATOM 452 CG ARG A 157 -9.147 3.273 -0.755 1.00 0.00 C ATOM 453 CD ARG A 157 -9.371 4.738 -0.415 1.00 0.00 C ATOM 454 NE ARG A 157 -8.796 5.096 0.880 1.00 0.00 N ATOM 455 CZ ARG A 157 -8.513 6.344 1.247 1.00 0.00 C ATOM 456 NH1 ARG A 157 -8.750 7.357 0.422 1.00 0.00 N ATOM 457 NH2 ARG A 157 -7.992 6.581 2.443 1.00 0.00 N ATOM 0 H ARG A 157 -8.529 0.074 -0.897 1.00 0.00 H new ATOM 0 HA ARG A 157 -6.865 2.047 -2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.608 2.592 0.566 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.053 3.702 -0.671 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -9.389 3.101 -1.804 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -9.824 2.654 -0.166 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.929 5.362 -1.192 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -10.440 4.948 -0.407 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.600 4.345 1.542 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -9.151 7.181 -0.499 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -8.531 8.311 0.709 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -7.808 5.807 3.082 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -7.775 7.537 2.724 1.00 0.00 H new ATOM 471 N LEU A 158 -4.876 1.277 -0.968 1.00 0.00 N ATOM 472 CA LEU A 158 -3.706 0.651 -0.359 1.00 0.00 C ATOM 473 C LEU A 158 -3.716 0.837 1.156 1.00 0.00 C ATOM 474 O LEU A 158 -4.036 1.917 1.655 1.00 0.00 O ATOM 475 CB LEU A 158 -2.425 1.249 -0.949 1.00 0.00 C ATOM 476 CG LEU A 158 -1.222 0.304 -0.998 1.00 0.00 C ATOM 477 CD1 LEU A 158 -0.848 -0.160 0.400 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.515 -0.886 -1.901 1.00 0.00 C ATOM 0 H LEU A 158 -4.657 1.988 -1.665 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.738 -0.417 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -2.637 1.593 -1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.152 2.128 -0.365 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.374 0.848 -1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 158 0.009 -0.831 0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.593 0.704 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.692 -0.686 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.649 -1.547 -1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.377 -1.431 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -1.729 -0.533 -2.910 1.00 0.00 H new ATOM 490 N THR A 159 -3.362 -0.219 1.884 1.00 0.00 N ATOM 491 CA THR A 159 -3.331 -0.164 3.343 1.00 0.00 C ATOM 492 C THR A 159 -2.083 -0.853 3.890 1.00 0.00 C ATOM 493 O THR A 159 -1.463 -1.670 3.207 1.00 0.00 O ATOM 494 CB THR A 159 -4.588 -0.811 3.930 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.251 -1.600 2.958 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.586 0.194 4.461 1.00 0.00 C ATOM 0 H THR A 159 -3.093 -1.120 1.489 1.00 0.00 H new ATOM 0 HA THR A 159 -3.302 0.885 3.639 1.00 0.00 H new ATOM 0 HB THR A 159 -4.234 -1.423 4.760 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.646 -1.769 2.206 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.453 -0.331 4.862 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.122 0.785 5.251 1.00 0.00 H new ATOM 0 HG23 THR A 159 -5.903 0.853 3.653 1.00 0.00 H new ATOM 504 N ARG A 160 -1.722 -0.521 5.129 1.00 0.00 N ATOM 505 CA ARG A 160 -0.548 -1.109 5.765 1.00 0.00 C ATOM 506 C ARG A 160 -0.643 -2.628 5.758 1.00 0.00 C ATOM 507 O ARG A 160 0.352 -3.323 5.552 1.00 0.00 O ATOM 508 CB ARG A 160 -0.406 -0.599 7.201 1.00 0.00 C ATOM 509 CG ARG A 160 1.037 -0.436 7.650 1.00 0.00 C ATOM 510 CD ARG A 160 1.507 1.004 7.513 1.00 0.00 C ATOM 511 NE ARG A 160 1.698 1.644 8.812 1.00 0.00 N ATOM 512 CZ ARG A 160 2.768 1.456 9.580 1.00 0.00 C ATOM 513 NH1 ARG A 160 3.745 0.648 9.185 1.00 0.00 N ATOM 514 NH2 ARG A 160 2.862 2.078 10.748 1.00 0.00 N ATOM 0 H ARG A 160 -2.225 0.150 5.709 1.00 0.00 H new ATOM 0 HA ARG A 160 0.334 -0.811 5.198 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.915 0.361 7.289 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -0.911 -1.291 7.875 1.00 0.00 H new ATOM 0 HG2 ARG A 160 1.134 -0.754 8.688 1.00 0.00 H new ATOM 0 HG3 ARG A 160 1.679 -1.087 7.056 1.00 0.00 H new ATOM 0 HD2 ARG A 160 2.444 1.028 6.956 1.00 0.00 H new ATOM 0 HD3 ARG A 160 0.777 1.570 6.934 1.00 0.00 H new ATOM 0 HE ARG A 160 0.969 2.272 9.150 1.00 0.00 H new ATOM 0 HH11 ARG A 160 3.678 0.167 8.288 1.00 0.00 H new ATOM 0 HH12 ARG A 160 4.563 0.508 9.779 1.00 0.00 H new ATOM 0 HH21 ARG A 160 2.114 2.700 11.056 1.00 0.00 H new ATOM 0 HH22 ARG A 160 3.682 1.935 11.338 1.00 0.00 H new ATOM 528 N GLU A 161 -1.852 -3.139 5.962 1.00 0.00 N ATOM 529 CA GLU A 161 -2.081 -4.576 5.956 1.00 0.00 C ATOM 530 C GLU A 161 -1.710 -5.153 4.597 1.00 0.00 C ATOM 531 O GLU A 161 -1.170 -6.256 4.500 1.00 0.00 O ATOM 532 CB GLU A 161 -3.544 -4.887 6.281 1.00 0.00 C ATOM 533 CG GLU A 161 -3.769 -6.303 6.786 1.00 0.00 C ATOM 534 CD GLU A 161 -3.431 -6.457 8.257 1.00 0.00 C ATOM 535 OE1 GLU A 161 -2.235 -6.375 8.604 1.00 0.00 O ATOM 536 OE2 GLU A 161 -4.365 -6.661 9.061 1.00 0.00 O ATOM 0 H GLU A 161 -2.687 -2.579 6.133 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.454 -5.034 6.721 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.898 -4.182 7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -4.147 -4.729 5.387 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -4.811 -6.581 6.625 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -3.161 -6.994 6.203 1.00 0.00 H new ATOM 543 N ASP A 162 -1.998 -4.389 3.545 1.00 0.00 N ATOM 544 CA ASP A 162 -1.692 -4.809 2.186 1.00 0.00 C ATOM 545 C ASP A 162 -0.185 -4.904 1.984 1.00 0.00 C ATOM 546 O ASP A 162 0.325 -5.917 1.506 1.00 0.00 O ATOM 547 CB ASP A 162 -2.295 -3.828 1.182 1.00 0.00 C ATOM 548 CG ASP A 162 -3.801 -3.717 1.318 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.423 -4.675 1.821 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.356 -2.672 0.922 1.00 0.00 O ATOM 0 H ASP A 162 -2.444 -3.474 3.612 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.128 -5.795 2.022 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.846 -2.845 1.324 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.047 -4.149 0.170 1.00 0.00 H new ATOM 555 N VAL A 163 0.524 -3.842 2.358 1.00 0.00 N ATOM 556 CA VAL A 163 1.976 -3.812 2.225 1.00 0.00 C ATOM 557 C VAL A 163 2.610 -4.954 3.009 1.00 0.00 C ATOM 558 O VAL A 163 3.647 -5.487 2.619 1.00 0.00 O ATOM 559 CB VAL A 163 2.565 -2.475 2.714 1.00 0.00 C ATOM 560 CG1 VAL A 163 4.063 -2.422 2.453 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.860 -1.304 2.048 1.00 0.00 C ATOM 0 H VAL A 163 0.118 -2.994 2.754 1.00 0.00 H new ATOM 0 HA VAL A 163 2.202 -3.924 1.165 1.00 0.00 H new ATOM 0 HB VAL A 163 2.404 -2.402 3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.460 -1.470 2.805 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.554 -3.238 2.983 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.250 -2.519 1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.290 -0.369 2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.986 -1.371 0.967 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.798 -1.332 2.292 1.00 0.00 H new ATOM 571 N GLU A 164 1.972 -5.330 4.114 1.00 0.00 N ATOM 572 CA GLU A 164 2.469 -6.415 4.948 1.00 0.00 C ATOM 573 C GLU A 164 2.334 -7.746 4.218 1.00 0.00 C ATOM 574 O GLU A 164 3.262 -8.555 4.202 1.00 0.00 O ATOM 575 CB GLU A 164 1.706 -6.463 6.272 1.00 0.00 C ATOM 576 CG GLU A 164 2.284 -5.550 7.341 1.00 0.00 C ATOM 577 CD GLU A 164 1.803 -5.904 8.735 1.00 0.00 C ATOM 578 OE1 GLU A 164 1.342 -7.048 8.930 1.00 0.00 O ATOM 579 OE2 GLU A 164 1.886 -5.037 9.629 1.00 0.00 O ATOM 0 H GLU A 164 1.111 -4.899 4.451 1.00 0.00 H new ATOM 0 HA GLU A 164 3.523 -6.234 5.159 1.00 0.00 H new ATOM 0 HB2 GLU A 164 0.667 -6.187 6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 164 1.704 -7.488 6.644 1.00 0.00 H new ATOM 0 HG2 GLU A 164 3.372 -5.606 7.311 1.00 0.00 H new ATOM 0 HG3 GLU A 164 2.012 -4.518 7.118 1.00 0.00 H new ATOM 586 N LYS A 165 1.174 -7.962 3.606 1.00 0.00 N ATOM 587 CA LYS A 165 0.919 -9.190 2.863 1.00 0.00 C ATOM 588 C LYS A 165 1.898 -9.322 1.701 1.00 0.00 C ATOM 589 O LYS A 165 2.442 -10.399 1.454 1.00 0.00 O ATOM 590 CB LYS A 165 -0.518 -9.207 2.339 1.00 0.00 C ATOM 591 CG LYS A 165 -1.528 -9.727 3.351 1.00 0.00 C ATOM 592 CD LYS A 165 -2.810 -8.911 3.331 1.00 0.00 C ATOM 593 CE LYS A 165 -3.781 -9.370 4.405 1.00 0.00 C ATOM 594 NZ LYS A 165 -5.198 -9.228 3.970 1.00 0.00 N ATOM 0 H LYS A 165 0.396 -7.302 3.610 1.00 0.00 H new ATOM 0 HA LYS A 165 1.058 -10.035 3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.800 -8.197 2.043 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.562 -9.826 1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.757 -10.771 3.135 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -1.092 -9.697 4.350 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -2.574 -7.857 3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -3.282 -8.997 2.352 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -3.580 -10.412 4.654 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -3.620 -8.788 5.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -5.829 -9.552 4.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -5.397 -8.230 3.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -5.359 -9.803 3.119 1.00 0.00 H new ATOM 608 N TRP A 166 2.123 -8.217 0.998 1.00 0.00 N ATOM 609 CA TRP A 166 3.043 -8.202 -0.133 1.00 0.00 C ATOM 610 C TRP A 166 4.482 -8.339 0.349 1.00 0.00 C ATOM 611 O TRP A 166 5.266 -9.107 -0.208 1.00 0.00 O ATOM 612 CB TRP A 166 2.874 -6.905 -0.932 1.00 0.00 C ATOM 613 CG TRP A 166 3.875 -6.743 -2.037 1.00 0.00 C ATOM 614 CD1 TRP A 166 3.691 -7.018 -3.361 1.00 0.00 C ATOM 615 CD2 TRP A 166 5.217 -6.266 -1.909 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.842 -6.746 -4.063 1.00 0.00 N ATOM 617 CE2 TRP A 166 5.792 -6.284 -3.194 1.00 0.00 C ATOM 618 CE3 TRP A 166 5.990 -5.828 -0.833 1.00 0.00 C ATOM 619 CZ2 TRP A 166 7.104 -5.881 -3.428 1.00 0.00 C ATOM 620 CZ3 TRP A 166 7.292 -5.427 -1.067 1.00 0.00 C ATOM 621 CH2 TRP A 166 7.837 -5.458 -2.355 1.00 0.00 C ATOM 0 H TRP A 166 1.680 -7.319 1.192 1.00 0.00 H new ATOM 0 HA TRP A 166 2.813 -9.048 -0.780 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.870 -6.878 -1.356 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.956 -6.057 -0.252 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.776 -7.394 -3.794 1.00 0.00 H new ATOM 0 HE1 TRP A 166 4.967 -6.869 -5.068 1.00 0.00 H new ATOM 0 HE3 TRP A 166 5.578 -5.803 0.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 7.527 -5.902 -4.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 7.899 -5.084 -0.242 1.00 0.00 H new ATOM 0 HH2 TRP A 166 8.859 -5.141 -2.505 1.00 0.00 H new ATOM 632 N LEU A 167 4.820 -7.588 1.392 1.00 0.00 N ATOM 633 CA LEU A 167 6.163 -7.622 1.959 1.00 0.00 C ATOM 634 C LEU A 167 6.514 -9.028 2.434 1.00 0.00 C ATOM 635 O LEU A 167 7.668 -9.451 2.358 1.00 0.00 O ATOM 636 CB LEU A 167 6.274 -6.634 3.123 1.00 0.00 C ATOM 637 CG LEU A 167 6.590 -5.194 2.718 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.338 -4.243 3.878 1.00 0.00 C ATOM 639 CD2 LEU A 167 8.028 -5.082 2.238 1.00 0.00 C ATOM 0 H LEU A 167 4.181 -6.947 1.862 1.00 0.00 H new ATOM 0 HA LEU A 167 6.868 -7.333 1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.336 -6.642 3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.050 -6.983 3.804 1.00 0.00 H new ATOM 0 HG LEU A 167 5.929 -4.914 1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.569 -3.223 3.569 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.292 -4.303 4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 167 6.973 -4.520 4.720 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.237 -4.051 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.703 -5.381 3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.176 -5.733 1.377 1.00 0.00 H new ATOM 651 N ALA A 168 5.511 -9.746 2.925 1.00 0.00 N ATOM 652 CA ALA A 168 5.709 -11.105 3.414 1.00 0.00 C ATOM 653 C ALA A 168 5.402 -12.139 2.331 1.00 0.00 C ATOM 654 O ALA A 168 5.283 -13.331 2.618 1.00 0.00 O ATOM 655 CB ALA A 168 4.845 -11.354 4.641 1.00 0.00 C ATOM 0 H ALA A 168 4.551 -9.409 2.995 1.00 0.00 H new ATOM 0 HA ALA A 168 6.758 -11.212 3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 168 5.002 -12.372 4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 168 5.117 -10.649 5.427 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.795 -11.219 4.380 1.00 0.00 H new ATOM 661 N LYS A 169 5.276 -11.681 1.087 1.00 0.00 N ATOM 662 CA LYS A 169 4.986 -12.574 -0.028 1.00 0.00 C ATOM 663 C LYS A 169 5.393 -11.936 -1.353 1.00 0.00 C ATOM 664 O LYS A 169 4.544 -11.594 -2.177 1.00 0.00 O ATOM 665 CB LYS A 169 3.497 -12.927 -0.052 1.00 0.00 C ATOM 666 CG LYS A 169 3.172 -14.130 -0.923 1.00 0.00 C ATOM 667 CD LYS A 169 2.196 -15.072 -0.235 1.00 0.00 C ATOM 668 CE LYS A 169 2.914 -16.253 0.398 1.00 0.00 C ATOM 669 NZ LYS A 169 3.524 -17.147 -0.625 1.00 0.00 N ATOM 0 H LYS A 169 5.370 -10.699 0.828 1.00 0.00 H new ATOM 0 HA LYS A 169 5.565 -13.487 0.108 1.00 0.00 H new ATOM 0 HB2 LYS A 169 3.162 -13.125 0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 169 2.933 -12.066 -0.411 1.00 0.00 H new ATOM 0 HG2 LYS A 169 2.747 -13.792 -1.868 1.00 0.00 H new ATOM 0 HG3 LYS A 169 4.090 -14.667 -1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 169 1.642 -14.528 0.531 1.00 0.00 H new ATOM 0 HD3 LYS A 169 1.466 -15.434 -0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 169 3.691 -15.888 1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 169 2.210 -16.823 1.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 3.637 -18.102 -0.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 2.906 -17.190 -1.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 4.455 -16.774 -0.901 1.00 0.00 H new ATOM 683 N ALA A 170 6.698 -11.779 -1.551 1.00 0.00 N ATOM 684 CA ALA A 170 7.219 -11.183 -2.775 1.00 0.00 C ATOM 685 C ALA A 170 8.744 -11.215 -2.793 1.00 0.00 C ATOM 686 O ALA A 170 9.318 -11.441 -3.879 1.00 0.00 O ATOM 687 CB ALA A 170 6.718 -9.754 -2.921 1.00 0.00 C ATOM 688 OXT ALA A 170 9.352 -11.013 -1.721 1.00 0.00 O ATOM 0 H ALA A 170 7.414 -12.056 -0.879 1.00 0.00 H new ATOM 0 HA ALA A 170 6.858 -11.771 -3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 170 7.115 -9.321 -3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 170 5.629 -9.753 -2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 170 7.051 -9.163 -2.068 1.00 0.00 H new TER 694 ALA A 170