USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=6 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= -0.567 K(o=-0.57,f=-5!) USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 SER OG : rot 180:sc= -1.07 USER MOD Single : A 142 HIS : no HE2:sc= -6.73! C(o=-6.7!,f=-9.1!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0.047) 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= 0.00975 USER MOD Single : A 159 THR OG1 : rot -0:sc= -0.812! USER MOD Single : A 165 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.00708) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 126 -13.312 17.123 -2.252 1.00 0.00 N ATOM 2 CA GLN A 126 -11.967 16.595 -2.599 1.00 0.00 C ATOM 3 C GLN A 126 -12.017 15.094 -2.873 1.00 0.00 C ATOM 4 O GLN A 126 -12.839 14.377 -2.304 1.00 0.00 O ATOM 5 CB GLN A 126 -11.014 16.888 -1.439 1.00 0.00 C ATOM 6 CG GLN A 126 -10.253 18.195 -1.592 1.00 0.00 C ATOM 7 CD GLN A 126 -9.290 18.173 -2.764 1.00 0.00 C ATOM 8 OE1 GLN A 126 -9.270 17.223 -3.547 1.00 0.00 O ATOM 9 NE2 GLN A 126 -8.486 19.222 -2.888 1.00 0.00 N ATOM 0 HA GLN A 126 -11.615 17.083 -3.508 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -11.583 16.915 -0.510 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -10.300 16.069 -1.351 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -10.963 19.012 -1.724 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -9.700 18.399 -0.675 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -8.538 19.987 -2.215 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -7.816 19.263 -3.656 1.00 0.00 H new ATOM 20 N ASN A 127 -11.132 14.628 -3.748 1.00 0.00 N ATOM 21 CA ASN A 127 -11.075 13.213 -4.097 1.00 0.00 C ATOM 22 C ASN A 127 -9.723 12.615 -3.720 1.00 0.00 C ATOM 23 O ASN A 127 -8.800 12.580 -4.533 1.00 0.00 O ATOM 24 CB ASN A 127 -11.332 13.027 -5.594 1.00 0.00 C ATOM 25 CG ASN A 127 -12.341 11.931 -5.874 1.00 0.00 C ATOM 26 OD1 ASN A 127 -11.975 10.805 -6.214 1.00 0.00 O ATOM 27 ND2 ASN A 127 -13.622 12.255 -5.733 1.00 0.00 N ATOM 0 H ASN A 127 -10.445 15.209 -4.228 1.00 0.00 H new ATOM 0 HA ASN A 127 -11.850 12.692 -3.535 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -11.691 13.965 -6.018 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -10.393 12.790 -6.095 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -14.346 11.559 -5.908 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -13.881 13.200 -5.449 1.00 0.00 H new ATOM 34 N ASN A 128 -9.614 12.145 -2.481 1.00 0.00 N ATOM 35 CA ASN A 128 -8.375 11.549 -1.996 1.00 0.00 C ATOM 36 C ASN A 128 -7.990 10.335 -2.835 1.00 0.00 C ATOM 37 O ASN A 128 -8.828 9.484 -3.134 1.00 0.00 O ATOM 38 CB ASN A 128 -8.522 11.143 -0.528 1.00 0.00 C ATOM 39 CG ASN A 128 -7.192 11.109 0.198 1.00 0.00 C ATOM 40 OD1 ASN A 128 -6.531 10.072 0.260 1.00 0.00 O ATOM 41 ND2 ASN A 128 -6.791 12.249 0.752 1.00 0.00 N ATOM 0 H ASN A 128 -10.369 12.166 -1.795 1.00 0.00 H new ATOM 0 HA ASN A 128 -7.584 12.294 -2.083 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -9.189 11.843 -0.025 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -8.989 10.160 -0.471 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -5.903 12.288 1.253 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -7.371 13.085 0.676 1.00 0.00 H new ATOM 48 N ASP A 129 -6.718 10.261 -3.210 1.00 0.00 N ATOM 49 CA ASP A 129 -6.221 9.151 -4.014 1.00 0.00 C ATOM 50 C ASP A 129 -6.408 7.825 -3.285 1.00 0.00 C ATOM 51 O ASP A 129 -6.767 7.797 -2.107 1.00 0.00 O ATOM 52 CB ASP A 129 -4.744 9.360 -4.352 1.00 0.00 C ATOM 53 CG ASP A 129 -4.548 10.073 -5.675 1.00 0.00 C ATOM 54 OD1 ASP A 129 -5.166 9.651 -6.675 1.00 0.00 O ATOM 55 OD2 ASP A 129 -3.774 11.053 -5.712 1.00 0.00 O ATOM 0 H ASP A 129 -6.012 10.957 -2.970 1.00 0.00 H new ATOM 0 HA ASP A 129 -6.796 9.119 -4.940 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -4.271 9.937 -3.558 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -4.242 8.393 -4.386 1.00 0.00 H new ATOM 60 N ALA A 130 -6.161 6.727 -3.991 1.00 0.00 N ATOM 61 CA ALA A 130 -6.300 5.396 -3.411 1.00 0.00 C ATOM 62 C ALA A 130 -5.142 5.068 -2.470 1.00 0.00 C ATOM 63 O ALA A 130 -5.156 4.039 -1.794 1.00 0.00 O ATOM 64 CB ALA A 130 -6.391 4.351 -4.514 1.00 0.00 C ATOM 0 H ALA A 130 -5.863 6.732 -4.967 1.00 0.00 H new ATOM 0 HA ALA A 130 -7.219 5.383 -2.825 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -6.495 3.361 -4.070 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -7.257 4.559 -5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.486 4.383 -5.121 1.00 0.00 H new ATOM 70 N LEU A 131 -4.139 5.942 -2.429 1.00 0.00 N ATOM 71 CA LEU A 131 -2.981 5.733 -1.571 1.00 0.00 C ATOM 72 C LEU A 131 -3.091 6.558 -0.291 1.00 0.00 C ATOM 73 O LEU A 131 -3.733 7.608 -0.272 1.00 0.00 O ATOM 74 CB LEU A 131 -1.698 6.099 -2.318 1.00 0.00 C ATOM 75 CG LEU A 131 -1.067 4.959 -3.119 1.00 0.00 C ATOM 76 CD1 LEU A 131 -0.420 5.492 -4.388 1.00 0.00 C ATOM 77 CD2 LEU A 131 -0.049 4.211 -2.271 1.00 0.00 C ATOM 0 H LEU A 131 -4.107 6.800 -2.980 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.949 4.678 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -1.914 6.924 -2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -0.967 6.464 -1.596 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.855 4.261 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.024 4.666 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -1.175 5.981 -5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.356 6.211 -4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.390 3.403 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.736 4.898 -1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -0.543 3.795 -1.393 1.00 0.00 H new ATOM 89 N SER A 132 -2.455 6.076 0.773 1.00 0.00 N ATOM 90 CA SER A 132 -2.476 6.770 2.055 1.00 0.00 C ATOM 91 C SER A 132 -1.269 7.698 2.184 1.00 0.00 C ATOM 92 O SER A 132 -0.209 7.427 1.623 1.00 0.00 O ATOM 93 CB SER A 132 -2.484 5.760 3.205 1.00 0.00 C ATOM 94 OG SER A 132 -3.384 6.153 4.227 1.00 0.00 O ATOM 0 H SER A 132 -1.919 5.208 0.772 1.00 0.00 H new ATOM 0 HA SER A 132 -3.384 7.371 2.104 1.00 0.00 H new ATOM 0 HB2 SER A 132 -2.766 4.777 2.827 1.00 0.00 H new ATOM 0 HB3 SER A 132 -1.479 5.667 3.618 1.00 0.00 H new ATOM 0 HG SER A 132 -3.370 5.489 4.948 1.00 0.00 H new ATOM 100 N PRO A 133 -1.415 8.810 2.926 1.00 0.00 N ATOM 101 CA PRO A 133 -0.328 9.777 3.120 1.00 0.00 C ATOM 102 C PRO A 133 0.934 9.130 3.680 1.00 0.00 C ATOM 103 O PRO A 133 2.008 9.231 3.089 1.00 0.00 O ATOM 104 CB PRO A 133 -0.908 10.787 4.123 1.00 0.00 C ATOM 105 CG PRO A 133 -2.118 10.129 4.699 1.00 0.00 C ATOM 106 CD PRO A 133 -2.639 9.214 3.630 1.00 0.00 C ATOM 0 HA PRO A 133 -0.020 10.229 2.177 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.184 11.027 4.902 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -1.168 11.724 3.630 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -1.867 9.572 5.601 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.868 10.868 4.979 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -3.165 8.357 4.051 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.338 9.723 2.967 1.00 0.00 H new ATOM 114 N ALA A 134 0.799 8.462 4.821 1.00 0.00 N ATOM 115 CA ALA A 134 1.932 7.798 5.452 1.00 0.00 C ATOM 116 C ALA A 134 2.417 6.628 4.603 1.00 0.00 C ATOM 117 O ALA A 134 3.621 6.457 4.375 1.00 0.00 O ATOM 118 CB ALA A 134 1.557 7.322 6.848 1.00 0.00 C ATOM 0 H ALA A 134 -0.082 8.367 5.326 1.00 0.00 H new ATOM 0 HA ALA A 134 2.746 8.518 5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.414 6.828 7.306 1.00 0.00 H new ATOM 0 HB2 ALA A 134 1.262 8.177 7.457 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.726 6.620 6.782 1.00 0.00 H new ATOM 124 N ILE A 135 1.474 5.821 4.128 1.00 0.00 N ATOM 125 CA ILE A 135 1.815 4.676 3.303 1.00 0.00 C ATOM 126 C ILE A 135 2.615 5.112 2.085 1.00 0.00 C ATOM 127 O ILE A 135 3.591 4.470 1.726 1.00 0.00 O ATOM 128 CB ILE A 135 0.570 3.902 2.832 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.252 3.434 4.036 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.985 2.714 1.968 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.537 2.732 3.654 1.00 0.00 C ATOM 0 H ILE A 135 0.476 5.940 4.300 1.00 0.00 H new ATOM 0 HA ILE A 135 2.414 4.013 3.927 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.051 4.566 2.231 1.00 0.00 H new ATOM 0 HG12 ILE A 135 0.355 2.760 4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -0.490 4.295 4.660 1.00 0.00 H new ATOM 0 HG21 ILE A 135 0.096 2.174 1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.534 3.072 1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.622 2.047 2.549 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.068 2.428 4.556 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.164 3.410 3.075 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.306 1.851 3.055 1.00 0.00 H new ATOM 143 N ARG A 136 2.205 6.209 1.455 1.00 0.00 N ATOM 144 CA ARG A 136 2.912 6.706 0.284 1.00 0.00 C ATOM 145 C ARG A 136 4.402 6.813 0.584 1.00 0.00 C ATOM 146 O ARG A 136 5.242 6.542 -0.275 1.00 0.00 O ATOM 147 CB ARG A 136 2.331 8.053 -0.166 1.00 0.00 C ATOM 148 CG ARG A 136 3.193 9.248 0.190 1.00 0.00 C ATOM 149 CD ARG A 136 2.587 10.546 -0.320 1.00 0.00 C ATOM 150 NE ARG A 136 3.532 11.312 -1.130 1.00 0.00 N ATOM 151 CZ ARG A 136 4.471 12.107 -0.621 1.00 0.00 C ATOM 152 NH1 ARG A 136 4.595 12.247 0.693 1.00 0.00 N ATOM 153 NH2 ARG A 136 5.290 12.766 -1.430 1.00 0.00 N ATOM 0 H ARG A 136 1.396 6.764 1.733 1.00 0.00 H new ATOM 0 HA ARG A 136 2.780 6.002 -0.538 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.186 8.032 -1.246 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.347 8.181 0.285 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.313 9.302 1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 136 4.189 9.119 -0.235 1.00 0.00 H new ATOM 0 HD2 ARG A 136 1.700 10.323 -0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 136 2.262 11.151 0.526 1.00 0.00 H new ATOM 0 HE ARG A 136 3.468 11.233 -2.145 1.00 0.00 H new ATOM 0 HH11 ARG A 136 3.968 11.744 1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 136 5.317 12.858 1.075 1.00 0.00 H new ATOM 0 HH21 ARG A 136 5.200 12.663 -2.441 1.00 0.00 H new ATOM 0 HH22 ARG A 136 6.010 13.375 -1.041 1.00 0.00 H new ATOM 167 N ARG A 137 4.719 7.175 1.820 1.00 0.00 N ATOM 168 CA ARG A 137 6.103 7.276 2.244 1.00 0.00 C ATOM 169 C ARG A 137 6.694 5.880 2.343 1.00 0.00 C ATOM 170 O ARG A 137 7.820 5.632 1.911 1.00 0.00 O ATOM 171 CB ARG A 137 6.205 7.988 3.594 1.00 0.00 C ATOM 172 CG ARG A 137 7.632 8.131 4.097 1.00 0.00 C ATOM 173 CD ARG A 137 7.738 9.179 5.193 1.00 0.00 C ATOM 174 NE ARG A 137 9.032 9.858 5.178 1.00 0.00 N ATOM 175 CZ ARG A 137 9.524 10.537 6.211 1.00 0.00 C ATOM 176 NH1 ARG A 137 8.835 10.632 7.342 1.00 0.00 N ATOM 177 NH2 ARG A 137 10.711 11.123 6.115 1.00 0.00 N ATOM 0 H ARG A 137 4.036 7.402 2.543 1.00 0.00 H new ATOM 0 HA ARG A 137 6.660 7.861 1.511 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.757 8.978 3.508 1.00 0.00 H new ATOM 0 HB3 ARG A 137 5.622 7.437 4.332 1.00 0.00 H new ATOM 0 HG2 ARG A 137 7.982 7.171 4.476 1.00 0.00 H new ATOM 0 HG3 ARG A 137 8.285 8.404 3.268 1.00 0.00 H new ATOM 0 HD2 ARG A 137 6.942 9.913 5.071 1.00 0.00 H new ATOM 0 HD3 ARG A 137 7.588 8.705 6.163 1.00 0.00 H new ATOM 0 HE ARG A 137 9.591 9.808 4.326 1.00 0.00 H new ATOM 0 HH11 ARG A 137 7.923 10.183 7.423 1.00 0.00 H new ATOM 0 HH12 ARG A 137 9.218 11.154 8.130 1.00 0.00 H new ATOM 0 HH21 ARG A 137 11.246 11.053 5.249 1.00 0.00 H new ATOM 0 HH22 ARG A 137 11.088 11.644 6.907 1.00 0.00 H new ATOM 191 N LEU A 138 5.911 4.962 2.907 1.00 0.00 N ATOM 192 CA LEU A 138 6.348 3.579 3.053 1.00 0.00 C ATOM 193 C LEU A 138 6.619 2.948 1.688 1.00 0.00 C ATOM 194 O LEU A 138 7.702 2.417 1.447 1.00 0.00 O ATOM 195 CB LEU A 138 5.298 2.758 3.802 1.00 0.00 C ATOM 196 CG LEU A 138 5.681 1.297 4.036 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.958 1.205 4.857 1.00 0.00 C ATOM 198 CD2 LEU A 138 4.551 0.548 4.725 1.00 0.00 C ATOM 0 H LEU A 138 4.976 5.151 3.268 1.00 0.00 H new ATOM 0 HA LEU A 138 7.273 3.580 3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 138 5.108 3.229 4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 138 4.364 2.790 3.242 1.00 0.00 H new ATOM 0 HG LEU A 138 5.859 0.832 3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.215 0.157 5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.769 1.702 4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 138 6.806 1.689 5.822 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.845 -0.490 4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 138 4.339 1.014 5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.658 0.582 4.101 1.00 0.00 H new ATOM 210 N LEU A 139 5.635 3.024 0.791 1.00 0.00 N ATOM 211 CA LEU A 139 5.781 2.470 -0.547 1.00 0.00 C ATOM 212 C LEU A 139 6.954 3.130 -1.251 1.00 0.00 C ATOM 213 O LEU A 139 7.691 2.488 -1.998 1.00 0.00 O ATOM 214 CB LEU A 139 4.497 2.677 -1.354 1.00 0.00 C ATOM 215 CG LEU A 139 3.381 1.673 -1.061 1.00 0.00 C ATOM 216 CD1 LEU A 139 2.019 2.334 -1.199 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.489 0.473 -1.990 1.00 0.00 C ATOM 0 H LEU A 139 4.732 3.463 0.970 1.00 0.00 H new ATOM 0 HA LEU A 139 5.969 1.399 -0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.122 3.682 -1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.741 2.627 -2.415 1.00 0.00 H new ATOM 0 HG LEU A 139 3.491 1.325 -0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.237 1.605 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.943 3.162 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.898 2.710 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.688 -0.232 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.404 0.805 -3.025 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.452 -0.015 -1.843 1.00 0.00 H new ATOM 229 N ALA A 140 7.128 4.417 -0.984 1.00 0.00 N ATOM 230 CA ALA A 140 8.225 5.174 -1.569 1.00 0.00 C ATOM 231 C ALA A 140 9.558 4.596 -1.112 1.00 0.00 C ATOM 232 O ALA A 140 10.525 4.553 -1.874 1.00 0.00 O ATOM 233 CB ALA A 140 8.120 6.643 -1.189 1.00 0.00 C ATOM 0 H ALA A 140 6.523 4.958 -0.366 1.00 0.00 H new ATOM 0 HA ALA A 140 8.165 5.098 -2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 140 8.948 7.194 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.176 7.047 -1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 140 8.160 6.742 -0.104 1.00 0.00 H new ATOM 239 N GLU A 141 9.595 4.141 0.138 1.00 0.00 N ATOM 240 CA GLU A 141 10.797 3.550 0.706 1.00 0.00 C ATOM 241 C GLU A 141 11.060 2.180 0.096 1.00 0.00 C ATOM 242 O GLU A 141 12.172 1.883 -0.342 1.00 0.00 O ATOM 243 CB GLU A 141 10.661 3.425 2.225 1.00 0.00 C ATOM 244 CG GLU A 141 10.761 4.752 2.957 1.00 0.00 C ATOM 245 CD GLU A 141 10.965 4.581 4.449 1.00 0.00 C ATOM 246 OE1 GLU A 141 12.127 4.408 4.875 1.00 0.00 O ATOM 247 OE2 GLU A 141 9.962 4.618 5.194 1.00 0.00 O ATOM 0 H GLU A 141 8.801 4.172 0.777 1.00 0.00 H new ATOM 0 HA GLU A 141 11.639 4.203 0.477 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.702 2.963 2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 141 11.437 2.755 2.597 1.00 0.00 H new ATOM 0 HG2 GLU A 141 11.589 5.329 2.545 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.853 5.329 2.782 1.00 0.00 H new ATOM 254 N HIS A 142 10.023 1.352 0.070 1.00 0.00 N ATOM 255 CA HIS A 142 10.123 0.009 -0.488 1.00 0.00 C ATOM 256 C HIS A 142 10.245 0.057 -2.010 1.00 0.00 C ATOM 257 O HIS A 142 10.706 -0.898 -2.636 1.00 0.00 O ATOM 258 CB HIS A 142 8.900 -0.823 -0.093 1.00 0.00 C ATOM 259 CG HIS A 142 8.823 -1.134 1.371 1.00 0.00 C ATOM 260 ND1 HIS A 142 9.382 -2.261 1.933 1.00 0.00 N ATOM 261 CD2 HIS A 142 8.239 -0.460 2.391 1.00 0.00 C ATOM 262 CE1 HIS A 142 9.143 -2.268 3.233 1.00 0.00 C ATOM 263 NE2 HIS A 142 8.453 -1.186 3.535 1.00 0.00 N ATOM 0 H HIS A 142 9.099 1.589 0.431 1.00 0.00 H new ATOM 0 HA HIS A 142 11.021 -0.458 -0.083 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.998 -0.287 -0.388 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.913 -1.758 -0.653 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.900 -2.978 1.425 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.704 0.475 2.317 1.00 0.00 H new ATOM 0 HE1 HIS A 142 9.459 -3.031 3.929 1.00 0.00 H new ATOM 272 N ASN A 143 9.825 1.175 -2.602 1.00 0.00 N ATOM 273 CA ASN A 143 9.882 1.348 -4.051 1.00 0.00 C ATOM 274 C ASN A 143 8.865 0.446 -4.746 1.00 0.00 C ATOM 275 O ASN A 143 9.218 -0.349 -5.618 1.00 0.00 O ATOM 276 CB ASN A 143 11.291 1.053 -4.574 1.00 0.00 C ATOM 277 CG ASN A 143 11.640 1.882 -5.795 1.00 0.00 C ATOM 278 OD1 ASN A 143 11.227 1.569 -6.912 1.00 0.00 O ATOM 279 ND2 ASN A 143 12.406 2.948 -5.588 1.00 0.00 N ATOM 0 H ASN A 143 9.441 1.975 -2.098 1.00 0.00 H new ATOM 0 HA ASN A 143 9.635 2.386 -4.276 1.00 0.00 H new ATOM 0 HB2 ASN A 143 12.017 1.250 -3.785 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.369 -0.005 -4.822 1.00 0.00 H new ATOM 0 HD21 ASN A 143 12.674 3.544 -6.372 1.00 0.00 H new ATOM 0 HD22 ASN A 143 12.726 3.171 -4.645 1.00 0.00 H new ATOM 286 N LEU A 144 7.601 0.576 -4.353 1.00 0.00 N ATOM 287 CA LEU A 144 6.533 -0.228 -4.938 1.00 0.00 C ATOM 288 C LEU A 144 5.408 0.653 -5.465 1.00 0.00 C ATOM 289 O LEU A 144 5.455 1.877 -5.352 1.00 0.00 O ATOM 290 CB LEU A 144 5.974 -1.209 -3.906 1.00 0.00 C ATOM 291 CG LEU A 144 7.004 -1.792 -2.942 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.314 -2.581 -1.840 1.00 0.00 C ATOM 293 CD2 LEU A 144 7.993 -2.671 -3.691 1.00 0.00 C ATOM 0 H LEU A 144 7.292 1.229 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 144 6.959 -0.786 -5.772 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.203 -0.702 -3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.488 -2.030 -4.434 1.00 0.00 H new ATOM 0 HG LEU A 144 7.553 -0.970 -2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 144 7.063 -2.990 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.644 -1.923 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.740 -3.396 -2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.721 -3.079 -2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.459 -3.488 -4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.509 -2.077 -4.445 1.00 0.00 H new ATOM 305 N ASP A 145 4.394 0.014 -6.036 1.00 0.00 N ATOM 306 CA ASP A 145 3.244 0.726 -6.581 1.00 0.00 C ATOM 307 C ASP A 145 1.948 0.202 -5.974 1.00 0.00 C ATOM 308 O ASP A 145 1.717 -1.007 -5.932 1.00 0.00 O ATOM 309 CB ASP A 145 3.203 0.585 -8.104 1.00 0.00 C ATOM 310 CG ASP A 145 2.446 1.719 -8.768 1.00 0.00 C ATOM 311 OD1 ASP A 145 1.618 2.360 -8.085 1.00 0.00 O ATOM 312 OD2 ASP A 145 2.680 1.967 -9.969 1.00 0.00 O ATOM 0 H ASP A 145 4.345 -1.000 -6.134 1.00 0.00 H new ATOM 0 HA ASP A 145 3.345 1.781 -6.326 1.00 0.00 H new ATOM 0 HB2 ASP A 145 4.221 0.556 -8.491 1.00 0.00 H new ATOM 0 HB3 ASP A 145 2.735 -0.364 -8.366 1.00 0.00 H new ATOM 317 N ALA A 146 1.106 1.115 -5.501 1.00 0.00 N ATOM 318 CA ALA A 146 -0.168 0.746 -4.893 1.00 0.00 C ATOM 319 C ALA A 146 -0.927 -0.259 -5.757 1.00 0.00 C ATOM 320 O ALA A 146 -1.478 -1.236 -5.251 1.00 0.00 O ATOM 321 CB ALA A 146 -1.013 1.987 -4.655 1.00 0.00 C ATOM 0 H ALA A 146 1.284 2.119 -5.527 1.00 0.00 H new ATOM 0 HA ALA A 146 0.040 0.269 -3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.961 1.700 -4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -0.482 2.666 -3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -1.202 2.486 -5.605 1.00 0.00 H new ATOM 327 N SER A 147 -0.948 -0.011 -7.063 1.00 0.00 N ATOM 328 CA SER A 147 -1.637 -0.895 -7.996 1.00 0.00 C ATOM 329 C SER A 147 -0.997 -2.282 -8.013 1.00 0.00 C ATOM 330 O SER A 147 -1.637 -3.264 -8.387 1.00 0.00 O ATOM 331 CB SER A 147 -1.619 -0.297 -9.404 1.00 0.00 C ATOM 332 OG SER A 147 -2.653 0.658 -9.566 1.00 0.00 O ATOM 0 H SER A 147 -0.497 0.793 -7.498 1.00 0.00 H new ATOM 0 HA SER A 147 -2.670 -0.997 -7.662 1.00 0.00 H new ATOM 0 HB2 SER A 147 -0.653 0.173 -9.591 1.00 0.00 H new ATOM 0 HB3 SER A 147 -1.735 -1.091 -10.141 1.00 0.00 H new ATOM 0 HG SER A 147 -2.619 1.026 -10.473 1.00 0.00 H new ATOM 338 N ALA A 148 0.268 -2.353 -7.609 1.00 0.00 N ATOM 339 CA ALA A 148 0.990 -3.621 -7.583 1.00 0.00 C ATOM 340 C ALA A 148 0.881 -4.305 -6.222 1.00 0.00 C ATOM 341 O ALA A 148 1.636 -5.231 -5.924 1.00 0.00 O ATOM 342 CB ALA A 148 2.451 -3.400 -7.947 1.00 0.00 C ATOM 0 H ALA A 148 0.813 -1.550 -7.296 1.00 0.00 H new ATOM 0 HA ALA A 148 0.532 -4.280 -8.321 1.00 0.00 H new ATOM 0 HB1 ALA A 148 2.980 -4.353 -7.924 1.00 0.00 H new ATOM 0 HB2 ALA A 148 2.516 -2.973 -8.948 1.00 0.00 H new ATOM 0 HB3 ALA A 148 2.905 -2.716 -7.230 1.00 0.00 H new ATOM 348 N ILE A 149 -0.060 -3.851 -5.399 1.00 0.00 N ATOM 349 CA ILE A 149 -0.259 -4.429 -4.073 1.00 0.00 C ATOM 350 C ILE A 149 -1.729 -4.354 -3.665 1.00 0.00 C ATOM 351 O ILE A 149 -2.521 -3.654 -4.295 1.00 0.00 O ATOM 352 CB ILE A 149 0.613 -3.725 -3.008 1.00 0.00 C ATOM 353 CG1 ILE A 149 1.963 -3.319 -3.608 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.816 -4.636 -1.802 1.00 0.00 C ATOM 355 CD1 ILE A 149 2.925 -2.721 -2.604 1.00 0.00 C ATOM 0 H ILE A 149 -0.696 -3.086 -5.626 1.00 0.00 H new ATOM 0 HA ILE A 149 0.045 -5.474 -4.129 1.00 0.00 H new ATOM 0 HB ILE A 149 0.098 -2.823 -2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.426 -4.195 -4.063 1.00 0.00 H new ATOM 0 HG13 ILE A 149 1.792 -2.598 -4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 149 1.432 -4.127 -1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -0.152 -4.880 -1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 149 1.313 -5.553 -2.118 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.857 -2.459 -3.105 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.484 -1.825 -2.167 1.00 0.00 H new ATOM 0 HD13 ILE A 149 3.127 -3.447 -1.817 1.00 0.00 H new ATOM 367 N LYS A 150 -2.092 -5.093 -2.618 1.00 0.00 N ATOM 368 CA LYS A 150 -3.471 -5.123 -2.134 1.00 0.00 C ATOM 369 C LYS A 150 -4.044 -3.716 -1.974 1.00 0.00 C ATOM 370 O LYS A 150 -3.343 -2.721 -2.153 1.00 0.00 O ATOM 371 CB LYS A 150 -3.547 -5.874 -0.802 1.00 0.00 C ATOM 372 CG LYS A 150 -4.081 -7.292 -0.933 1.00 0.00 C ATOM 373 CD LYS A 150 -4.294 -7.934 0.428 1.00 0.00 C ATOM 374 CE LYS A 150 -4.539 -9.431 0.309 1.00 0.00 C ATOM 375 NZ LYS A 150 -5.882 -9.816 0.823 1.00 0.00 N ATOM 0 H LYS A 150 -1.449 -5.680 -2.088 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.071 -5.645 -2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.553 -5.909 -0.357 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -4.184 -5.316 -0.116 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.023 -7.278 -1.482 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.382 -7.893 -1.515 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.421 -7.756 1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -5.143 -7.464 0.924 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -4.450 -9.732 -0.735 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -3.770 -9.970 0.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -6.010 -10.843 0.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -5.958 -9.552 1.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -6.617 -9.322 0.278 1.00 0.00 H new ATOM 389 N GLY A 151 -5.328 -3.648 -1.636 1.00 0.00 N ATOM 390 CA GLY A 151 -5.992 -2.370 -1.454 1.00 0.00 C ATOM 391 C GLY A 151 -7.389 -2.526 -0.885 1.00 0.00 C ATOM 392 O GLY A 151 -8.378 -2.319 -1.586 1.00 0.00 O ATOM 0 H GLY A 151 -5.924 -4.462 -1.484 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.398 -1.745 -0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -6.047 -1.852 -2.411 1.00 0.00 H new ATOM 396 N THR A 152 -7.471 -2.899 0.389 1.00 0.00 N ATOM 397 CA THR A 152 -8.760 -3.092 1.047 1.00 0.00 C ATOM 398 C THR A 152 -9.100 -1.917 1.960 1.00 0.00 C ATOM 399 O THR A 152 -9.722 -2.095 3.007 1.00 0.00 O ATOM 400 CB THR A 152 -8.755 -4.391 1.854 1.00 0.00 C ATOM 401 OG1 THR A 152 -7.538 -4.536 2.567 1.00 0.00 O ATOM 402 CG2 THR A 152 -8.938 -5.626 1.000 1.00 0.00 C ATOM 0 H THR A 152 -6.662 -3.073 0.985 1.00 0.00 H new ATOM 0 HA THR A 152 -9.523 -3.152 0.271 1.00 0.00 H new ATOM 0 HB THR A 152 -9.603 -4.311 2.535 1.00 0.00 H new ATOM 0 HG1 THR A 152 -7.556 -5.372 3.078 1.00 0.00 H new ATOM 0 HG21 THR A 152 -8.925 -6.512 1.634 1.00 0.00 H new ATOM 0 HG22 THR A 152 -9.892 -5.568 0.477 1.00 0.00 H new ATOM 0 HG23 THR A 152 -8.129 -5.689 0.273 1.00 0.00 H new ATOM 410 N GLY A 153 -8.694 -0.718 1.555 1.00 0.00 N ATOM 411 CA GLY A 153 -8.973 0.467 2.347 1.00 0.00 C ATOM 412 C GLY A 153 -10.461 0.709 2.515 1.00 0.00 C ATOM 413 O GLY A 153 -11.165 -0.098 3.122 1.00 0.00 O ATOM 0 H GLY A 153 -8.177 -0.545 0.693 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -8.511 0.362 3.329 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.517 1.335 1.871 1.00 0.00 H new ATOM 417 N VAL A 154 -10.941 1.824 1.974 1.00 0.00 N ATOM 418 CA VAL A 154 -12.354 2.169 2.063 1.00 0.00 C ATOM 419 C VAL A 154 -13.092 1.773 0.788 1.00 0.00 C ATOM 420 O VAL A 154 -14.046 2.434 0.380 1.00 0.00 O ATOM 421 CB VAL A 154 -12.553 3.677 2.309 1.00 0.00 C ATOM 422 CG1 VAL A 154 -14.006 3.978 2.651 1.00 0.00 C ATOM 423 CG2 VAL A 154 -11.625 4.167 3.410 1.00 0.00 C ATOM 0 H VAL A 154 -10.372 2.504 1.470 1.00 0.00 H new ATOM 0 HA VAL A 154 -12.763 1.616 2.908 1.00 0.00 H new ATOM 0 HB VAL A 154 -12.303 4.210 1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -14.126 5.048 2.821 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -14.646 3.668 1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -14.288 3.434 3.552 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -11.781 5.234 3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -11.839 3.628 4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -10.590 3.991 3.118 1.00 0.00 H new ATOM 433 N GLY A 155 -12.642 0.690 0.163 1.00 0.00 N ATOM 434 CA GLY A 155 -13.268 0.222 -1.060 1.00 0.00 C ATOM 435 C GLY A 155 -12.310 0.219 -2.234 1.00 0.00 C ATOM 436 O GLY A 155 -12.689 0.559 -3.355 1.00 0.00 O ATOM 0 H GLY A 155 -11.854 0.127 0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -13.652 -0.786 -0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -14.123 0.857 -1.294 1.00 0.00 H new ATOM 440 N GLY A 156 -11.063 -0.166 -1.978 1.00 0.00 N ATOM 441 CA GLY A 156 -10.066 -0.204 -3.031 1.00 0.00 C ATOM 442 C GLY A 156 -8.967 0.822 -2.822 1.00 0.00 C ATOM 443 O GLY A 156 -8.765 1.702 -3.658 1.00 0.00 O ATOM 0 H GLY A 156 -10.726 -0.452 -1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.626 -1.200 -3.076 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.549 -0.025 -3.992 1.00 0.00 H new ATOM 447 N ARG A 157 -8.259 0.707 -1.704 1.00 0.00 N ATOM 448 CA ARG A 157 -7.175 1.631 -1.385 1.00 0.00 C ATOM 449 C ARG A 157 -6.046 0.916 -0.649 1.00 0.00 C ATOM 450 O ARG A 157 -6.289 0.030 0.170 1.00 0.00 O ATOM 451 CB ARG A 157 -7.693 2.795 -0.532 1.00 0.00 C ATOM 452 CG ARG A 157 -9.103 3.236 -0.887 1.00 0.00 C ATOM 453 CD ARG A 157 -9.343 4.691 -0.513 1.00 0.00 C ATOM 454 NE ARG A 157 -10.712 5.112 -0.800 1.00 0.00 N ATOM 455 CZ ARG A 157 -11.080 6.382 -0.956 1.00 0.00 C ATOM 456 NH1 ARG A 157 -10.186 7.359 -0.854 1.00 0.00 N ATOM 457 NH2 ARG A 157 -12.347 6.678 -1.215 1.00 0.00 N ATOM 0 H ARG A 157 -8.416 -0.017 -1.003 1.00 0.00 H new ATOM 0 HA ARG A 157 -6.785 2.023 -2.324 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.667 2.503 0.518 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.018 3.644 -0.644 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -9.269 3.102 -1.956 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -9.824 2.603 -0.370 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -9.136 4.831 0.548 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -8.646 5.326 -1.061 1.00 0.00 H new ATOM 0 HE ARG A 157 -11.428 4.391 -0.886 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -9.210 7.139 -0.655 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -10.475 8.330 -0.975 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -13.039 5.933 -1.295 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -12.629 7.651 -1.335 1.00 0.00 H new ATOM 471 N LEU A 158 -4.812 1.307 -0.948 1.00 0.00 N ATOM 472 CA LEU A 158 -3.640 0.707 -0.318 1.00 0.00 C ATOM 473 C LEU A 158 -3.671 0.902 1.196 1.00 0.00 C ATOM 474 O LEU A 158 -3.995 1.984 1.686 1.00 0.00 O ATOM 475 CB LEU A 158 -2.363 1.323 -0.896 1.00 0.00 C ATOM 476 CG LEU A 158 -1.150 0.391 -0.946 1.00 0.00 C ATOM 477 CD1 LEU A 158 -0.760 -0.057 0.454 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.434 -0.811 -1.834 1.00 0.00 C ATOM 0 H LEU A 158 -4.596 2.039 -1.625 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.652 -0.363 -0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -2.574 1.672 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.102 2.200 -0.303 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.313 0.942 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 158 0.104 -0.719 0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.510 0.815 1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.594 -0.589 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.560 -1.461 -1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.287 -1.363 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -1.660 -0.471 -2.845 1.00 0.00 H new ATOM 490 N THR A 159 -3.326 -0.151 1.931 1.00 0.00 N ATOM 491 CA THR A 159 -3.308 -0.097 3.390 1.00 0.00 C ATOM 492 C THR A 159 -2.064 -0.790 3.940 1.00 0.00 C ATOM 493 O THR A 159 -1.441 -1.604 3.255 1.00 0.00 O ATOM 494 CB THR A 159 -4.570 -0.745 3.968 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.312 -1.398 2.952 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.493 0.246 4.643 1.00 0.00 C ATOM 0 H THR A 159 -3.055 -1.053 1.540 1.00 0.00 H new ATOM 0 HA THR A 159 -3.284 0.951 3.690 1.00 0.00 H new ATOM 0 HB THR A 159 -4.214 -1.455 4.714 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.856 -1.287 2.092 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.367 -0.277 5.031 1.00 0.00 H new ATOM 0 HG22 THR A 159 -4.967 0.732 5.465 1.00 0.00 H new ATOM 0 HG23 THR A 159 -5.811 0.998 3.921 1.00 0.00 H new ATOM 504 N ARG A 160 -1.710 -0.469 5.183 1.00 0.00 N ATOM 505 CA ARG A 160 -0.537 -1.065 5.819 1.00 0.00 C ATOM 506 C ARG A 160 -0.634 -2.585 5.794 1.00 0.00 C ATOM 507 O ARG A 160 0.357 -3.278 5.556 1.00 0.00 O ATOM 508 CB ARG A 160 -0.405 -0.570 7.260 1.00 0.00 C ATOM 509 CG ARG A 160 1.031 -0.527 7.759 1.00 0.00 C ATOM 510 CD ARG A 160 1.754 0.716 7.268 1.00 0.00 C ATOM 511 NE ARG A 160 1.745 1.785 8.265 1.00 0.00 N ATOM 512 CZ ARG A 160 2.004 3.061 7.987 1.00 0.00 C ATOM 513 NH1 ARG A 160 2.292 3.432 6.745 1.00 0.00 N ATOM 514 NH2 ARG A 160 1.975 3.968 8.953 1.00 0.00 N ATOM 0 H ARG A 160 -2.216 0.197 5.767 1.00 0.00 H new ATOM 0 HA ARG A 160 0.349 -0.762 5.261 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.837 0.428 7.334 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -0.989 -1.219 7.913 1.00 0.00 H new ATOM 0 HG2 ARG A 160 1.039 -0.547 8.849 1.00 0.00 H new ATOM 0 HG3 ARG A 160 1.562 -1.416 7.419 1.00 0.00 H new ATOM 0 HD2 ARG A 160 2.784 0.461 7.019 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.283 1.071 6.352 1.00 0.00 H new ATOM 0 HE ARG A 160 1.527 1.539 9.231 1.00 0.00 H new ATOM 0 HH11 ARG A 160 2.316 2.738 5.998 1.00 0.00 H new ATOM 0 HH12 ARG A 160 2.490 4.411 6.538 1.00 0.00 H new ATOM 0 HH21 ARG A 160 1.754 3.688 9.909 1.00 0.00 H new ATOM 0 HH22 ARG A 160 2.173 4.946 8.741 1.00 0.00 H new ATOM 528 N GLU A 161 -1.837 -3.098 6.018 1.00 0.00 N ATOM 529 CA GLU A 161 -2.065 -4.534 5.997 1.00 0.00 C ATOM 530 C GLU A 161 -1.709 -5.094 4.626 1.00 0.00 C ATOM 531 O GLU A 161 -1.167 -6.194 4.509 1.00 0.00 O ATOM 532 CB GLU A 161 -3.524 -4.851 6.333 1.00 0.00 C ATOM 533 CG GLU A 161 -3.748 -6.291 6.770 1.00 0.00 C ATOM 534 CD GLU A 161 -4.145 -6.403 8.230 1.00 0.00 C ATOM 535 OE1 GLU A 161 -3.748 -5.524 9.022 1.00 0.00 O ATOM 536 OE2 GLU A 161 -4.853 -7.371 8.579 1.00 0.00 O ATOM 0 H GLU A 161 -2.668 -2.540 6.216 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.429 -5.000 6.750 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.859 -4.183 7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -4.143 -4.644 5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -4.526 -6.738 6.151 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.837 -6.864 6.600 1.00 0.00 H new ATOM 543 N ASP A 162 -2.010 -4.317 3.588 1.00 0.00 N ATOM 544 CA ASP A 162 -1.718 -4.721 2.221 1.00 0.00 C ATOM 545 C ASP A 162 -0.215 -4.840 2.012 1.00 0.00 C ATOM 546 O ASP A 162 0.280 -5.873 1.561 1.00 0.00 O ATOM 547 CB ASP A 162 -2.305 -3.711 1.235 1.00 0.00 C ATOM 548 CG ASP A 162 -3.785 -3.478 1.462 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.420 -4.308 2.145 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.309 -2.464 0.958 1.00 0.00 O ATOM 0 H ASP A 162 -2.456 -3.404 3.671 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.174 -5.695 2.043 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.772 -2.765 1.328 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.148 -4.067 0.217 1.00 0.00 H new ATOM 555 N VAL A 163 0.508 -3.778 2.352 1.00 0.00 N ATOM 556 CA VAL A 163 1.958 -3.767 2.211 1.00 0.00 C ATOM 557 C VAL A 163 2.580 -4.922 2.987 1.00 0.00 C ATOM 558 O VAL A 163 3.615 -5.461 2.595 1.00 0.00 O ATOM 559 CB VAL A 163 2.565 -2.440 2.706 1.00 0.00 C ATOM 560 CG1 VAL A 163 4.057 -2.390 2.413 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.850 -1.255 2.071 1.00 0.00 C ATOM 0 H VAL A 163 0.113 -2.915 2.727 1.00 0.00 H new ATOM 0 HA VAL A 163 2.179 -3.877 1.149 1.00 0.00 H new ATOM 0 HB VAL A 163 2.429 -2.382 3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.466 -1.445 2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.555 -3.216 2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.220 -2.473 1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.292 -0.327 2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.951 -1.307 0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.794 -1.282 2.338 1.00 0.00 H new ATOM 571 N GLU A 164 1.933 -5.304 4.084 1.00 0.00 N ATOM 572 CA GLU A 164 2.416 -6.404 4.908 1.00 0.00 C ATOM 573 C GLU A 164 2.297 -7.725 4.154 1.00 0.00 C ATOM 574 O GLU A 164 3.240 -8.515 4.114 1.00 0.00 O ATOM 575 CB GLU A 164 1.628 -6.474 6.218 1.00 0.00 C ATOM 576 CG GLU A 164 1.982 -5.369 7.200 1.00 0.00 C ATOM 577 CD GLU A 164 2.332 -5.901 8.577 1.00 0.00 C ATOM 578 OE1 GLU A 164 2.855 -7.031 8.661 1.00 0.00 O ATOM 579 OE2 GLU A 164 2.084 -5.186 9.570 1.00 0.00 O ATOM 0 H GLU A 164 1.075 -4.868 4.421 1.00 0.00 H new ATOM 0 HA GLU A 164 3.466 -6.226 5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 164 0.562 -6.423 5.995 1.00 0.00 H new ATOM 0 HB3 GLU A 164 1.809 -7.440 6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 164 2.825 -4.798 6.810 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.142 -4.680 7.284 1.00 0.00 H new ATOM 586 N LYS A 165 1.133 -7.954 3.552 1.00 0.00 N ATOM 587 CA LYS A 165 0.895 -9.176 2.793 1.00 0.00 C ATOM 588 C LYS A 165 1.884 -9.291 1.638 1.00 0.00 C ATOM 589 O LYS A 165 2.425 -10.364 1.374 1.00 0.00 O ATOM 590 CB LYS A 165 -0.538 -9.201 2.255 1.00 0.00 C ATOM 591 CG LYS A 165 -1.599 -9.211 3.343 1.00 0.00 C ATOM 592 CD LYS A 165 -1.351 -10.317 4.356 1.00 0.00 C ATOM 593 CE LYS A 165 -2.635 -10.728 5.057 1.00 0.00 C ATOM 594 NZ LYS A 165 -2.849 -9.960 6.315 1.00 0.00 N ATOM 0 H LYS A 165 0.342 -7.310 3.575 1.00 0.00 H new ATOM 0 HA LYS A 165 1.036 -10.025 3.462 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.692 -8.331 1.617 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.666 -10.083 1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.609 -8.247 3.851 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -2.582 -9.344 2.892 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -0.917 -11.181 3.854 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -0.624 -9.979 5.095 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -3.481 -10.572 4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -2.600 -11.794 5.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -3.846 -10.034 6.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -2.243 -10.348 7.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -2.607 -8.961 6.157 1.00 0.00 H new ATOM 608 N TRP A 166 2.117 -8.175 0.954 1.00 0.00 N ATOM 609 CA TRP A 166 3.045 -8.145 -0.170 1.00 0.00 C ATOM 610 C TRP A 166 4.483 -8.294 0.318 1.00 0.00 C ATOM 611 O TRP A 166 5.264 -9.062 -0.243 1.00 0.00 O ATOM 612 CB TRP A 166 2.884 -6.839 -0.953 1.00 0.00 C ATOM 613 CG TRP A 166 3.904 -6.657 -2.037 1.00 0.00 C ATOM 614 CD1 TRP A 166 3.751 -6.932 -3.367 1.00 0.00 C ATOM 615 CD2 TRP A 166 5.235 -6.161 -1.881 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.912 -6.639 -4.043 1.00 0.00 N ATOM 617 CE2 TRP A 166 5.837 -6.165 -3.152 1.00 0.00 C ATOM 618 CE3 TRP A 166 5.975 -5.713 -0.786 1.00 0.00 C ATOM 619 CZ2 TRP A 166 7.147 -5.741 -3.357 1.00 0.00 C ATOM 620 CZ3 TRP A 166 7.276 -5.291 -0.990 1.00 0.00 C ATOM 621 CH2 TRP A 166 7.850 -5.309 -2.266 1.00 0.00 C ATOM 0 H TRP A 166 1.675 -7.279 1.159 1.00 0.00 H new ATOM 0 HA TRP A 166 2.816 -8.982 -0.830 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.888 -6.811 -1.395 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.949 -6.000 -0.260 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.851 -7.322 -3.820 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.060 -6.756 -5.045 1.00 0.00 H new ATOM 0 HE3 TRP A 166 5.540 -5.696 0.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 7.592 -5.753 -4.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 7.859 -4.942 -0.150 1.00 0.00 H new ATOM 0 HH2 TRP A 166 8.869 -4.975 -2.392 1.00 0.00 H new ATOM 632 N LEU A 167 4.823 -7.552 1.367 1.00 0.00 N ATOM 633 CA LEU A 167 6.167 -7.600 1.935 1.00 0.00 C ATOM 634 C LEU A 167 6.522 -9.018 2.367 1.00 0.00 C ATOM 635 O LEU A 167 7.677 -9.435 2.279 1.00 0.00 O ATOM 636 CB LEU A 167 6.272 -6.649 3.130 1.00 0.00 C ATOM 637 CG LEU A 167 6.594 -5.197 2.772 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.329 -4.281 3.957 1.00 0.00 C ATOM 639 CD2 LEU A 167 8.037 -5.070 2.311 1.00 0.00 C ATOM 0 H LEU A 167 4.187 -6.910 1.841 1.00 0.00 H new ATOM 0 HA LEU A 167 6.872 -7.285 1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.330 -6.672 3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.043 -7.021 3.805 1.00 0.00 H new ATOM 0 HG LEU A 167 5.942 -4.893 1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.564 -3.253 3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.279 -4.349 4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 167 6.954 -4.584 4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.249 -4.031 2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.704 -5.394 3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.194 -5.695 1.432 1.00 0.00 H new ATOM 651 N ALA A 168 5.519 -9.754 2.832 1.00 0.00 N ATOM 652 CA ALA A 168 5.721 -11.127 3.276 1.00 0.00 C ATOM 653 C ALA A 168 5.729 -12.091 2.094 1.00 0.00 C ATOM 654 O ALA A 168 6.397 -13.124 2.129 1.00 0.00 O ATOM 655 CB ALA A 168 4.642 -11.522 4.274 1.00 0.00 C ATOM 0 H ALA A 168 4.558 -9.422 2.911 1.00 0.00 H new ATOM 0 HA ALA A 168 6.693 -11.186 3.765 1.00 0.00 H new ATOM 0 HB1 ALA A 168 4.805 -12.550 4.598 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.685 -10.858 5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.663 -11.441 3.802 1.00 0.00 H new ATOM 661 N LYS A 169 4.984 -11.745 1.050 1.00 0.00 N ATOM 662 CA LYS A 169 4.905 -12.580 -0.144 1.00 0.00 C ATOM 663 C LYS A 169 5.351 -11.802 -1.380 1.00 0.00 C ATOM 664 O LYS A 169 4.530 -11.418 -2.213 1.00 0.00 O ATOM 665 CB LYS A 169 3.478 -13.099 -0.336 1.00 0.00 C ATOM 666 CG LYS A 169 3.271 -14.513 0.182 1.00 0.00 C ATOM 667 CD LYS A 169 2.595 -14.515 1.545 1.00 0.00 C ATOM 668 CE LYS A 169 1.802 -15.792 1.770 1.00 0.00 C ATOM 669 NZ LYS A 169 2.690 -16.961 2.016 1.00 0.00 N ATOM 0 H LYS A 169 4.426 -10.892 1.006 1.00 0.00 H new ATOM 0 HA LYS A 169 5.575 -13.429 -0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 169 2.785 -12.429 0.173 1.00 0.00 H new ATOM 0 HB3 LYS A 169 3.229 -13.069 -1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 169 2.664 -15.076 -0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 169 4.233 -15.021 0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 169 3.348 -14.410 2.326 1.00 0.00 H new ATOM 0 HD3 LYS A 169 1.931 -13.654 1.625 1.00 0.00 H new ATOM 0 HE2 LYS A 169 1.133 -15.659 2.620 1.00 0.00 H new ATOM 0 HE3 LYS A 169 1.176 -15.989 0.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 2.111 -17.812 2.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 3.311 -17.104 1.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 3.270 -16.785 2.861 1.00 0.00 H new ATOM 683 N ALA A 170 6.655 -11.575 -1.490 1.00 0.00 N ATOM 684 CA ALA A 170 7.210 -10.843 -2.623 1.00 0.00 C ATOM 685 C ALA A 170 8.336 -11.629 -3.286 1.00 0.00 C ATOM 686 O ALA A 170 8.702 -11.285 -4.430 1.00 0.00 O ATOM 687 CB ALA A 170 7.710 -9.478 -2.174 1.00 0.00 C ATOM 688 OXT ALA A 170 8.843 -12.581 -2.657 1.00 0.00 O ATOM 0 H ALA A 170 7.347 -11.887 -0.809 1.00 0.00 H new ATOM 0 HA ALA A 170 6.418 -10.704 -3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 170 8.122 -8.942 -3.029 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.882 -8.908 -1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 170 8.485 -9.605 -1.418 1.00 0.00 H new TER 694 ALA A 170