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 Set 1.1: A 152 THR OG1 : rot 65:sc= 0.0443 USER MOD Set 1.2: A 159 THR OG1 : rot -25:sc= -0.648! USER MOD Single : A 126 GLN : amide:sc= -0.12 K(o=-0.12,f=-0.83) USER MOD Single : A 127 ASN : amide:sc= -0.309 K(o=-0.31,f=-2.4!) USER MOD Single : A 128 ASN : amide:sc= -0.232 K(o=-0.23,f=-5.5!) USER MOD Single : A 132 SER OG : rot 180:sc= -1.01 USER MOD Single : A 142 HIS : no HE2:sc= -8.8! C(o=-8.8!,f=-8.7!) USER MOD Single : A 143 ASN : amide:sc= -0.0237 X(o=-0.024,f=0.12) 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 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 LYS NZ :NH3+ 157:sc= -0.0184 (180deg=-0.196) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 126 -8.623 14.128 -2.714 1.00 0.00 N ATOM 2 CA GLN A 126 -7.615 14.598 -3.700 1.00 0.00 C ATOM 3 C GLN A 126 -6.252 13.966 -3.437 1.00 0.00 C ATOM 4 O GLN A 126 -5.757 13.176 -4.242 1.00 0.00 O ATOM 5 CB GLN A 126 -7.517 16.122 -3.608 1.00 0.00 C ATOM 6 CG GLN A 126 -8.860 16.825 -3.729 1.00 0.00 C ATOM 7 CD GLN A 126 -8.742 18.205 -4.344 1.00 0.00 C ATOM 8 OE1 GLN A 126 -7.967 18.418 -5.278 1.00 0.00 O ATOM 9 NE2 GLN A 126 -9.511 19.154 -3.822 1.00 0.00 N ATOM 0 HA GLN A 126 -7.927 14.301 -4.701 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -7.059 16.392 -2.656 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -6.854 16.484 -4.394 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -9.531 16.217 -4.336 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -9.312 16.909 -2.741 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -10.139 18.934 -3.049 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -9.474 20.103 -4.194 1.00 0.00 H new ATOM 20 N ASN A 127 -5.650 14.315 -2.305 1.00 0.00 N ATOM 21 CA ASN A 127 -4.345 13.779 -1.936 1.00 0.00 C ATOM 22 C ASN A 127 -4.483 12.720 -0.847 1.00 0.00 C ATOM 23 O ASN A 127 -3.599 12.560 -0.006 1.00 0.00 O ATOM 24 CB ASN A 127 -3.424 14.905 -1.461 1.00 0.00 C ATOM 25 CG ASN A 127 -2.125 14.957 -2.241 1.00 0.00 C ATOM 26 OD1 ASN A 127 -2.024 14.408 -3.338 1.00 0.00 O ATOM 27 ND2 ASN A 127 -1.121 15.619 -1.676 1.00 0.00 N ATOM 0 H ASN A 127 -6.045 14.967 -1.627 1.00 0.00 H new ATOM 0 HA ASN A 127 -3.907 13.311 -2.818 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -3.941 15.859 -1.558 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -3.204 14.768 -0.402 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -0.222 15.687 -2.153 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -1.249 16.059 -0.765 1.00 0.00 H new ATOM 34 N ASN A 128 -5.599 11.999 -0.870 1.00 0.00 N ATOM 35 CA ASN A 128 -5.857 10.954 0.113 1.00 0.00 C ATOM 36 C ASN A 128 -7.170 10.235 -0.195 1.00 0.00 C ATOM 37 O ASN A 128 -8.157 10.383 0.526 1.00 0.00 O ATOM 38 CB ASN A 128 -5.896 11.551 1.523 1.00 0.00 C ATOM 39 CG ASN A 128 -4.872 10.919 2.447 1.00 0.00 C ATOM 40 OD1 ASN A 128 -5.214 10.104 3.304 1.00 0.00 O ATOM 41 ND2 ASN A 128 -3.610 11.293 2.276 1.00 0.00 N ATOM 0 H ASN A 128 -6.340 12.120 -1.560 1.00 0.00 H new ATOM 0 HA ASN A 128 -5.047 10.226 0.062 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -5.716 12.624 1.465 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -6.893 11.417 1.944 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -2.877 10.902 2.868 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -3.373 11.972 1.553 1.00 0.00 H new ATOM 48 N ASP A 129 -7.172 9.460 -1.273 1.00 0.00 N ATOM 49 CA ASP A 129 -8.364 8.721 -1.679 1.00 0.00 C ATOM 50 C ASP A 129 -8.045 7.248 -1.911 1.00 0.00 C ATOM 51 O ASP A 129 -8.823 6.369 -1.538 1.00 0.00 O ATOM 52 CB ASP A 129 -8.958 9.331 -2.950 1.00 0.00 C ATOM 53 CG ASP A 129 -7.965 9.362 -4.095 1.00 0.00 C ATOM 54 OD1 ASP A 129 -6.785 9.687 -3.849 1.00 0.00 O ATOM 55 OD2 ASP A 129 -8.369 9.061 -5.238 1.00 0.00 O ATOM 0 H ASP A 129 -6.364 9.326 -1.881 1.00 0.00 H new ATOM 0 HA ASP A 129 -9.094 8.791 -0.872 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -9.835 8.758 -3.249 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -9.297 10.345 -2.739 1.00 0.00 H new ATOM 60 N ALA A 130 -6.901 6.984 -2.531 1.00 0.00 N ATOM 61 CA ALA A 130 -6.485 5.616 -2.816 1.00 0.00 C ATOM 62 C ALA A 130 -5.226 5.247 -2.041 1.00 0.00 C ATOM 63 O ALA A 130 -5.063 4.105 -1.612 1.00 0.00 O ATOM 64 CB ALA A 130 -6.255 5.437 -4.309 1.00 0.00 C ATOM 0 H ALA A 130 -6.245 7.699 -2.846 1.00 0.00 H new ATOM 0 HA ALA A 130 -7.284 4.948 -2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -5.945 4.411 -4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -7.179 5.648 -4.847 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.476 6.123 -4.642 1.00 0.00 H new ATOM 70 N LEU A 131 -4.333 6.215 -1.874 1.00 0.00 N ATOM 71 CA LEU A 131 -3.084 5.986 -1.157 1.00 0.00 C ATOM 72 C LEU A 131 -3.035 6.797 0.136 1.00 0.00 C ATOM 73 O LEU A 131 -3.241 8.010 0.127 1.00 0.00 O ATOM 74 CB LEU A 131 -1.891 6.345 -2.045 1.00 0.00 C ATOM 75 CG LEU A 131 -1.169 5.151 -2.673 1.00 0.00 C ATOM 76 CD1 LEU A 131 -0.520 4.292 -1.599 1.00 0.00 C ATOM 77 CD2 LEU A 131 -2.136 4.324 -3.508 1.00 0.00 C ATOM 0 H LEU A 131 -4.450 7.166 -2.225 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.033 4.928 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.236 7.002 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.174 6.913 -1.452 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.384 5.529 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -0.012 3.448 -2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 131 0.203 4.889 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.286 3.922 -0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -1.606 3.479 -3.947 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -2.942 3.957 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -2.553 4.944 -4.302 1.00 0.00 H new ATOM 89 N SER A 132 -2.752 6.119 1.244 1.00 0.00 N ATOM 90 CA SER A 132 -2.666 6.778 2.542 1.00 0.00 C ATOM 91 C SER A 132 -1.409 7.641 2.621 1.00 0.00 C ATOM 92 O SER A 132 -0.481 7.468 1.832 1.00 0.00 O ATOM 93 CB SER A 132 -2.665 5.739 3.667 1.00 0.00 C ATOM 94 OG SER A 132 -3.709 5.988 4.591 1.00 0.00 O ATOM 0 H SER A 132 -2.578 5.114 1.269 1.00 0.00 H new ATOM 0 HA SER A 132 -3.538 7.422 2.660 1.00 0.00 H new ATOM 0 HB2 SER A 132 -2.779 4.741 3.245 1.00 0.00 H new ATOM 0 HB3 SER A 132 -1.705 5.759 4.184 1.00 0.00 H new ATOM 0 HG SER A 132 -3.688 5.310 5.299 1.00 0.00 H new ATOM 100 N PRO A 133 -1.360 8.589 3.573 1.00 0.00 N ATOM 101 CA PRO A 133 -0.207 9.480 3.737 1.00 0.00 C ATOM 102 C PRO A 133 1.048 8.737 4.184 1.00 0.00 C ATOM 103 O PRO A 133 2.088 8.809 3.530 1.00 0.00 O ATOM 104 CB PRO A 133 -0.659 10.466 4.818 1.00 0.00 C ATOM 105 CG PRO A 133 -1.750 9.766 5.555 1.00 0.00 C ATOM 106 CD PRO A 133 -2.424 8.869 4.554 1.00 0.00 C ATOM 0 HA PRO A 133 0.067 9.958 2.797 1.00 0.00 H new ATOM 0 HB2 PRO A 133 0.164 10.724 5.485 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -1.016 11.397 4.377 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -1.349 9.188 6.388 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.457 10.481 5.975 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -2.793 7.954 5.019 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.280 9.358 4.089 1.00 0.00 H new ATOM 114 N ALA A 134 0.947 8.024 5.301 1.00 0.00 N ATOM 115 CA ALA A 134 2.077 7.271 5.831 1.00 0.00 C ATOM 116 C ALA A 134 2.524 6.191 4.852 1.00 0.00 C ATOM 117 O ALA A 134 3.718 6.041 4.570 1.00 0.00 O ATOM 118 CB ALA A 134 1.714 6.653 7.173 1.00 0.00 C ATOM 0 H ALA A 134 0.094 7.952 5.856 1.00 0.00 H new ATOM 0 HA ALA A 134 2.909 7.961 5.974 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.566 6.093 7.558 1.00 0.00 H new ATOM 0 HB2 ALA A 134 1.450 7.442 7.877 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.866 5.980 7.046 1.00 0.00 H new ATOM 124 N ILE A 135 1.563 5.437 4.330 1.00 0.00 N ATOM 125 CA ILE A 135 1.869 4.376 3.384 1.00 0.00 C ATOM 126 C ILE A 135 2.613 4.919 2.175 1.00 0.00 C ATOM 127 O ILE A 135 3.594 4.333 1.738 1.00 0.00 O ATOM 128 CB ILE A 135 0.606 3.642 2.902 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.184 3.097 4.095 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.988 2.515 1.947 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.426 2.330 3.697 1.00 0.00 C ATOM 0 H ILE A 135 0.572 5.541 4.546 1.00 0.00 H new ATOM 0 HA ILE A 135 2.500 3.666 3.918 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.030 4.348 2.368 1.00 0.00 H new ATOM 0 HG12 ILE A 135 0.463 2.445 4.682 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -0.471 3.927 4.741 1.00 0.00 H new ATOM 0 HG21 ILE A 135 0.087 2.001 1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.511 2.930 1.086 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.639 1.808 2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -1.936 1.973 4.592 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.093 2.984 3.136 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.145 1.479 3.076 1.00 0.00 H new ATOM 143 N ARG A 136 2.149 6.043 1.635 1.00 0.00 N ATOM 144 CA ARG A 136 2.798 6.639 0.473 1.00 0.00 C ATOM 145 C ARG A 136 4.297 6.755 0.713 1.00 0.00 C ATOM 146 O ARG A 136 5.102 6.561 -0.199 1.00 0.00 O ATOM 147 CB ARG A 136 2.179 8.002 0.150 1.00 0.00 C ATOM 148 CG ARG A 136 3.015 9.180 0.605 1.00 0.00 C ATOM 149 CD ARG A 136 2.260 10.490 0.455 1.00 0.00 C ATOM 150 NE ARG A 136 2.528 11.407 1.561 1.00 0.00 N ATOM 151 CZ ARG A 136 1.720 12.406 1.909 1.00 0.00 C ATOM 152 NH1 ARG A 136 0.594 12.624 1.240 1.00 0.00 N ATOM 153 NH2 ARG A 136 2.040 13.192 2.929 1.00 0.00 N ATOM 0 H ARG A 136 1.336 6.554 1.979 1.00 0.00 H new ATOM 0 HA ARG A 136 2.641 5.992 -0.390 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.024 8.074 -0.927 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.197 8.064 0.618 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.303 9.042 1.647 1.00 0.00 H new ATOM 0 HG3 ARG A 136 3.936 9.221 0.023 1.00 0.00 H new ATOM 0 HD2 ARG A 136 2.541 10.964 -0.485 1.00 0.00 H new ATOM 0 HD3 ARG A 136 1.190 10.288 0.403 1.00 0.00 H new ATOM 0 HE ARG A 136 3.385 11.274 2.098 1.00 0.00 H new ATOM 0 HH11 ARG A 136 0.343 12.024 0.454 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -0.020 13.391 1.512 1.00 0.00 H new ATOM 0 HH21 ARG A 136 2.904 13.030 3.446 1.00 0.00 H new ATOM 0 HH22 ARG A 136 1.422 13.958 3.196 1.00 0.00 H new ATOM 167 N ARG A 137 4.664 7.039 1.954 1.00 0.00 N ATOM 168 CA ARG A 137 6.064 7.140 2.323 1.00 0.00 C ATOM 169 C ARG A 137 6.680 5.751 2.312 1.00 0.00 C ATOM 170 O ARG A 137 7.802 5.554 1.844 1.00 0.00 O ATOM 171 CB ARG A 137 6.211 7.769 3.707 1.00 0.00 C ATOM 172 CG ARG A 137 5.713 9.204 3.779 1.00 0.00 C ATOM 173 CD ARG A 137 6.048 9.842 5.118 1.00 0.00 C ATOM 174 NE ARG A 137 4.954 9.706 6.076 1.00 0.00 N ATOM 175 CZ ARG A 137 5.109 9.780 7.397 1.00 0.00 C ATOM 176 NH1 ARG A 137 6.310 9.999 7.920 1.00 0.00 N ATOM 177 NH2 ARG A 137 4.061 9.639 8.196 1.00 0.00 N ATOM 0 H ARG A 137 4.011 7.203 2.720 1.00 0.00 H new ATOM 0 HA ARG A 137 6.580 7.777 1.605 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.663 7.166 4.431 1.00 0.00 H new ATOM 0 HB3 ARG A 137 7.261 7.742 4.000 1.00 0.00 H new ATOM 0 HG2 ARG A 137 6.161 9.787 2.974 1.00 0.00 H new ATOM 0 HG3 ARG A 137 4.634 9.224 3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 137 6.947 9.379 5.526 1.00 0.00 H new ATOM 0 HD3 ARG A 137 6.272 10.898 4.971 1.00 0.00 H new ATOM 0 HE ARG A 137 4.015 9.545 5.712 1.00 0.00 H new ATOM 0 HH11 ARG A 137 7.119 10.111 7.309 1.00 0.00 H new ATOM 0 HH12 ARG A 137 6.423 10.055 8.932 1.00 0.00 H new ATOM 0 HH21 ARG A 137 3.136 9.474 7.799 1.00 0.00 H new ATOM 0 HH22 ARG A 137 4.180 9.696 9.207 1.00 0.00 H new ATOM 191 N LEU A 138 5.922 4.786 2.825 1.00 0.00 N ATOM 192 CA LEU A 138 6.376 3.401 2.870 1.00 0.00 C ATOM 193 C LEU A 138 6.607 2.852 1.462 1.00 0.00 C ATOM 194 O LEU A 138 7.683 2.341 1.155 1.00 0.00 O ATOM 195 CB LEU A 138 5.356 2.528 3.603 1.00 0.00 C ATOM 196 CG LEU A 138 5.751 1.058 3.731 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.941 0.906 4.666 1.00 0.00 C ATOM 198 CD2 LEU A 138 4.579 0.225 4.226 1.00 0.00 C ATOM 0 H LEU A 138 4.992 4.938 3.215 1.00 0.00 H new ATOM 0 HA LEU A 138 7.322 3.378 3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 138 5.199 2.936 4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 138 4.402 2.590 3.080 1.00 0.00 H new ATOM 0 HG LEU A 138 6.036 0.695 2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.209 -0.148 4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.788 1.467 4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 138 6.680 1.290 5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.884 -0.818 4.309 1.00 0.00 H new ATOM 0 HD22 LEU A 138 4.261 0.589 5.203 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.752 0.306 3.521 1.00 0.00 H new ATOM 210 N LEU A 139 5.595 2.967 0.604 1.00 0.00 N ATOM 211 CA LEU A 139 5.698 2.487 -0.767 1.00 0.00 C ATOM 212 C LEU A 139 6.818 3.210 -1.493 1.00 0.00 C ATOM 213 O LEU A 139 7.543 2.620 -2.295 1.00 0.00 O ATOM 214 CB LEU A 139 4.375 2.694 -1.507 1.00 0.00 C ATOM 215 CG LEU A 139 3.290 1.661 -1.196 1.00 0.00 C ATOM 216 CD1 LEU A 139 1.910 2.234 -1.473 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.517 0.393 -2.006 1.00 0.00 C ATOM 0 H LEU A 139 4.696 3.389 0.837 1.00 0.00 H new ATOM 0 HA LEU A 139 5.922 1.421 -0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 139 3.992 3.685 -1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.570 2.682 -2.579 1.00 0.00 H new ATOM 0 HG LEU A 139 3.347 1.408 -0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.152 1.484 -1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.749 3.113 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.837 2.516 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.737 -0.332 -1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.487 0.630 -3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.490 -0.029 -1.756 1.00 0.00 H new ATOM 229 N ALA A 140 6.959 4.495 -1.191 1.00 0.00 N ATOM 230 CA ALA A 140 8.002 5.309 -1.799 1.00 0.00 C ATOM 231 C ALA A 140 9.377 4.786 -1.405 1.00 0.00 C ATOM 232 O ALA A 140 10.312 4.795 -2.206 1.00 0.00 O ATOM 233 CB ALA A 140 7.845 6.765 -1.387 1.00 0.00 C ATOM 0 H ALA A 140 6.365 4.994 -0.529 1.00 0.00 H new ATOM 0 HA ALA A 140 7.907 5.246 -2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 140 8.632 7.361 -1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 140 6.872 7.133 -1.713 1.00 0.00 H new ATOM 0 HB3 ALA A 140 7.918 6.846 -0.302 1.00 0.00 H new ATOM 239 N GLU A 141 9.487 4.321 -0.164 1.00 0.00 N ATOM 240 CA GLU A 141 10.738 3.781 0.345 1.00 0.00 C ATOM 241 C GLU A 141 11.005 2.405 -0.249 1.00 0.00 C ATOM 242 O GLU A 141 12.099 2.129 -0.743 1.00 0.00 O ATOM 243 CB GLU A 141 10.697 3.692 1.872 1.00 0.00 C ATOM 244 CG GLU A 141 10.541 5.041 2.557 1.00 0.00 C ATOM 245 CD GLU A 141 9.731 4.956 3.836 1.00 0.00 C ATOM 246 OE1 GLU A 141 9.621 3.846 4.396 1.00 0.00 O ATOM 247 OE2 GLU A 141 9.208 6.000 4.277 1.00 0.00 O ATOM 0 H GLU A 141 8.720 4.309 0.508 1.00 0.00 H new ATOM 0 HA GLU A 141 11.546 4.452 0.052 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.870 3.046 2.168 1.00 0.00 H new ATOM 0 HB3 GLU A 141 11.613 3.219 2.225 1.00 0.00 H new ATOM 0 HG2 GLU A 141 11.528 5.446 2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 141 10.059 5.739 1.872 1.00 0.00 H new ATOM 254 N HIS A 142 9.991 1.550 -0.204 1.00 0.00 N ATOM 255 CA HIS A 142 10.100 0.200 -0.745 1.00 0.00 C ATOM 256 C HIS A 142 10.185 0.232 -2.270 1.00 0.00 C ATOM 257 O HIS A 142 10.607 -0.741 -2.896 1.00 0.00 O ATOM 258 CB HIS A 142 8.899 -0.646 -0.314 1.00 0.00 C ATOM 259 CG HIS A 142 8.918 -1.033 1.133 1.00 0.00 C ATOM 260 ND1 HIS A 142 9.481 -2.206 1.593 1.00 0.00 N ATOM 261 CD2 HIS A 142 8.431 -0.401 2.226 1.00 0.00 C ATOM 262 CE1 HIS A 142 9.337 -2.275 2.904 1.00 0.00 C ATOM 263 NE2 HIS A 142 8.704 -1.193 3.313 1.00 0.00 N ATOM 0 H HIS A 142 9.081 1.768 0.203 1.00 0.00 H new ATOM 0 HA HIS A 142 11.013 -0.248 -0.352 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.984 -0.091 -0.520 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.867 -1.550 -0.922 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.937 -2.909 1.012 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.921 0.551 2.240 1.00 0.00 H new ATOM 0 HE1 HIS A 142 9.680 -3.082 3.535 1.00 0.00 H new ATOM 272 N ASN A 143 9.775 1.352 -2.861 1.00 0.00 N ATOM 273 CA ASN A 143 9.799 1.507 -4.311 1.00 0.00 C ATOM 274 C ASN A 143 8.844 0.518 -4.971 1.00 0.00 C ATOM 275 O ASN A 143 9.232 -0.240 -5.860 1.00 0.00 O ATOM 276 CB ASN A 143 11.221 1.309 -4.847 1.00 0.00 C ATOM 277 CG ASN A 143 11.983 2.614 -4.958 1.00 0.00 C ATOM 278 OD1 ASN A 143 11.771 3.539 -4.175 1.00 0.00 O ATOM 279 ND2 ASN A 143 12.878 2.694 -5.937 1.00 0.00 N ATOM 0 H ASN A 143 9.422 2.165 -2.357 1.00 0.00 H new ATOM 0 HA ASN A 143 9.473 2.518 -4.553 1.00 0.00 H new ATOM 0 HB2 ASN A 143 11.763 0.630 -4.189 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.174 0.834 -5.827 1.00 0.00 H new ATOM 0 HD21 ASN A 143 13.422 3.548 -6.062 1.00 0.00 H new ATOM 0 HD22 ASN A 143 13.021 1.902 -6.563 1.00 0.00 H new ATOM 286 N LEU A 144 7.591 0.530 -4.526 1.00 0.00 N ATOM 287 CA LEU A 144 6.580 -0.369 -5.070 1.00 0.00 C ATOM 288 C LEU A 144 5.448 0.407 -5.731 1.00 0.00 C ATOM 289 O LEU A 144 5.444 1.637 -5.743 1.00 0.00 O ATOM 290 CB LEU A 144 6.014 -1.262 -3.966 1.00 0.00 C ATOM 291 CG LEU A 144 7.048 -1.811 -2.985 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.362 -2.490 -1.809 1.00 0.00 C ATOM 293 CD2 LEU A 144 7.986 -2.779 -3.689 1.00 0.00 C ATOM 0 H LEU A 144 7.252 1.151 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 144 7.061 -0.989 -5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.270 -0.695 -3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.494 -2.100 -4.429 1.00 0.00 H new ATOM 0 HG LEU A 144 7.637 -0.977 -2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 144 7.115 -2.875 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.731 -1.769 -1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.748 -3.314 -2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.717 -3.161 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.411 -3.609 -4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.504 -2.262 -4.497 1.00 0.00 H new ATOM 305 N ASP A 145 4.487 -0.329 -6.276 1.00 0.00 N ATOM 306 CA ASP A 145 3.337 0.274 -6.939 1.00 0.00 C ATOM 307 C ASP A 145 2.037 -0.242 -6.331 1.00 0.00 C ATOM 308 O ASP A 145 1.809 -1.449 -6.265 1.00 0.00 O ATOM 309 CB ASP A 145 3.370 -0.025 -8.438 1.00 0.00 C ATOM 310 CG ASP A 145 2.239 0.651 -9.187 1.00 0.00 C ATOM 311 OD1 ASP A 145 1.092 0.162 -9.098 1.00 0.00 O ATOM 312 OD2 ASP A 145 2.497 1.668 -9.863 1.00 0.00 O ATOM 0 H ASP A 145 4.482 -1.349 -6.272 1.00 0.00 H new ATOM 0 HA ASP A 145 3.385 1.353 -6.794 1.00 0.00 H new ATOM 0 HB2 ASP A 145 4.324 0.305 -8.851 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.311 -1.102 -8.592 1.00 0.00 H new ATOM 317 N ALA A 146 1.189 0.680 -5.886 1.00 0.00 N ATOM 318 CA ALA A 146 -0.087 0.318 -5.277 1.00 0.00 C ATOM 319 C ALA A 146 -0.864 -0.664 -6.150 1.00 0.00 C ATOM 320 O ALA A 146 -1.397 -1.658 -5.658 1.00 0.00 O ATOM 321 CB ALA A 146 -0.918 1.564 -5.016 1.00 0.00 C ATOM 0 H ALA A 146 1.362 1.684 -5.936 1.00 0.00 H new ATOM 0 HA ALA A 146 0.124 -0.175 -4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.867 1.280 -4.562 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -0.377 2.227 -4.341 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -1.107 2.079 -5.958 1.00 0.00 H new ATOM 327 N SER A 147 -0.924 -0.378 -7.446 1.00 0.00 N ATOM 328 CA SER A 147 -1.637 -1.233 -8.387 1.00 0.00 C ATOM 329 C SER A 147 -1.080 -2.656 -8.374 1.00 0.00 C ATOM 330 O SER A 147 -1.754 -3.597 -8.795 1.00 0.00 O ATOM 331 CB SER A 147 -1.551 -0.655 -9.800 1.00 0.00 C ATOM 332 OG SER A 147 -2.704 -0.980 -10.557 1.00 0.00 O ATOM 0 H SER A 147 -0.487 0.441 -7.869 1.00 0.00 H new ATOM 0 HA SER A 147 -2.681 -1.271 -8.077 1.00 0.00 H new ATOM 0 HB2 SER A 147 -1.441 0.428 -9.747 1.00 0.00 H new ATOM 0 HB3 SER A 147 -0.663 -1.041 -10.301 1.00 0.00 H new ATOM 0 HG SER A 147 -2.624 -0.597 -11.456 1.00 0.00 H new ATOM 338 N ALA A 148 0.151 -2.809 -7.894 1.00 0.00 N ATOM 339 CA ALA A 148 0.789 -4.118 -7.836 1.00 0.00 C ATOM 340 C ALA A 148 0.546 -4.797 -6.491 1.00 0.00 C ATOM 341 O ALA A 148 0.633 -6.021 -6.381 1.00 0.00 O ATOM 342 CB ALA A 148 2.282 -3.990 -8.100 1.00 0.00 C ATOM 0 H ALA A 148 0.725 -2.043 -7.540 1.00 0.00 H new ATOM 0 HA ALA A 148 0.343 -4.741 -8.611 1.00 0.00 H new ATOM 0 HB1 ALA A 148 2.746 -4.975 -8.054 1.00 0.00 H new ATOM 0 HB2 ALA A 148 2.441 -3.560 -9.089 1.00 0.00 H new ATOM 0 HB3 ALA A 148 2.730 -3.342 -7.347 1.00 0.00 H new ATOM 348 N ILE A 149 0.247 -4.001 -5.469 1.00 0.00 N ATOM 349 CA ILE A 149 -0.001 -4.535 -4.134 1.00 0.00 C ATOM 350 C ILE A 149 -1.481 -4.436 -3.769 1.00 0.00 C ATOM 351 O ILE A 149 -2.251 -3.746 -4.438 1.00 0.00 O ATOM 352 CB ILE A 149 0.842 -3.804 -3.065 1.00 0.00 C ATOM 353 CG1 ILE A 149 2.208 -3.412 -3.641 1.00 0.00 C ATOM 354 CG2 ILE A 149 1.010 -4.682 -1.831 1.00 0.00 C ATOM 355 CD1 ILE A 149 3.148 -2.801 -2.623 1.00 0.00 C ATOM 0 H ILE A 149 0.171 -2.986 -5.539 1.00 0.00 H new ATOM 0 HA ILE A 149 0.293 -5.584 -4.152 1.00 0.00 H new ATOM 0 HB ILE A 149 0.320 -2.894 -2.770 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.678 -4.297 -4.071 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.059 -2.703 -4.455 1.00 0.00 H new ATOM 0 HG21 ILE A 149 1.606 -4.154 -1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 149 0.030 -4.914 -1.413 1.00 0.00 H new ATOM 0 HG23 ILE A 149 1.514 -5.608 -2.109 1.00 0.00 H new ATOM 0 HD11 ILE A 149 4.093 -2.550 -3.105 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.700 -1.897 -2.210 1.00 0.00 H new ATOM 0 HD13 ILE A 149 3.329 -3.515 -1.820 1.00 0.00 H new ATOM 367 N LYS A 150 -1.874 -5.137 -2.708 1.00 0.00 N ATOM 368 CA LYS A 150 -3.261 -5.141 -2.252 1.00 0.00 C ATOM 369 C LYS A 150 -3.805 -3.723 -2.097 1.00 0.00 C ATOM 370 O LYS A 150 -3.079 -2.747 -2.263 1.00 0.00 O ATOM 371 CB LYS A 150 -3.381 -5.895 -0.926 1.00 0.00 C ATOM 372 CG LYS A 150 -3.373 -7.407 -1.083 1.00 0.00 C ATOM 373 CD LYS A 150 -2.008 -7.996 -0.758 1.00 0.00 C ATOM 374 CE LYS A 150 -1.541 -8.953 -1.843 1.00 0.00 C ATOM 375 NZ LYS A 150 -0.129 -9.379 -1.636 1.00 0.00 N ATOM 0 H LYS A 150 -1.247 -5.712 -2.146 1.00 0.00 H new ATOM 0 HA LYS A 150 -3.857 -5.649 -3.011 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.558 -5.601 -0.275 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -4.303 -5.595 -0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -4.125 -7.846 -0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.649 -7.669 -2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -1.281 -7.192 -0.644 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -2.055 -8.521 0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -2.187 -9.831 -1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -1.636 -8.473 -2.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 0.152 -10.031 -2.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 0.491 -8.544 -1.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -0.043 -9.860 -0.718 1.00 0.00 H new ATOM 389 N GLY A 151 -5.093 -3.628 -1.782 1.00 0.00 N ATOM 390 CA GLY A 151 -5.732 -2.337 -1.609 1.00 0.00 C ATOM 391 C GLY A 151 -7.116 -2.468 -1.001 1.00 0.00 C ATOM 392 O GLY A 151 -8.097 -1.983 -1.563 1.00 0.00 O ATOM 0 H GLY A 151 -5.709 -4.429 -1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.113 -1.708 -0.970 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.805 -1.836 -2.574 1.00 0.00 H new ATOM 396 N THR A 152 -7.193 -3.133 0.148 1.00 0.00 N ATOM 397 CA THR A 152 -8.465 -3.340 0.833 1.00 0.00 C ATOM 398 C THR A 152 -8.844 -2.122 1.670 1.00 0.00 C ATOM 399 O THR A 152 -9.054 -2.224 2.880 1.00 0.00 O ATOM 400 CB THR A 152 -8.391 -4.583 1.722 1.00 0.00 C ATOM 401 OG1 THR A 152 -7.274 -4.514 2.590 1.00 0.00 O ATOM 402 CG2 THR A 152 -8.284 -5.873 0.937 1.00 0.00 C ATOM 0 H THR A 152 -6.388 -3.538 0.625 1.00 0.00 H new ATOM 0 HA THR A 152 -9.235 -3.486 0.076 1.00 0.00 H new ATOM 0 HB THR A 152 -9.326 -4.593 2.283 1.00 0.00 H new ATOM 0 HG1 THR A 152 -7.388 -3.764 3.210 1.00 0.00 H new ATOM 0 HG21 THR A 152 -8.235 -6.716 1.627 1.00 0.00 H new ATOM 0 HG22 THR A 152 -9.157 -5.981 0.293 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.382 -5.853 0.325 1.00 0.00 H new ATOM 410 N GLY A 153 -8.933 -0.970 1.016 1.00 0.00 N ATOM 411 CA GLY A 153 -9.291 0.253 1.710 1.00 0.00 C ATOM 412 C GLY A 153 -10.769 0.569 1.596 1.00 0.00 C ATOM 413 O GLY A 153 -11.572 -0.303 1.266 1.00 0.00 O ATOM 0 H GLY A 153 -8.763 -0.861 0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.021 0.163 2.762 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.712 1.082 1.302 1.00 0.00 H new ATOM 417 N VAL A 154 -11.129 1.820 1.864 1.00 0.00 N ATOM 418 CA VAL A 154 -12.520 2.247 1.781 1.00 0.00 C ATOM 419 C VAL A 154 -12.983 2.292 0.329 1.00 0.00 C ATOM 420 O VAL A 154 -13.267 3.360 -0.214 1.00 0.00 O ATOM 421 CB VAL A 154 -12.725 3.633 2.424 1.00 0.00 C ATOM 422 CG1 VAL A 154 -14.203 3.992 2.463 1.00 0.00 C ATOM 423 CG2 VAL A 154 -12.125 3.669 3.822 1.00 0.00 C ATOM 0 H VAL A 154 -10.477 2.555 2.140 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.115 1.517 2.330 1.00 0.00 H new ATOM 0 HB VAL A 154 -12.210 4.374 1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -14.327 4.974 2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -14.600 4.012 1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -14.743 3.248 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -12.280 4.655 4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -12.608 2.916 4.445 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -11.057 3.461 3.765 1.00 0.00 H new ATOM 433 N GLY A 155 -13.049 1.121 -0.297 1.00 0.00 N ATOM 434 CA GLY A 155 -13.467 1.041 -1.684 1.00 0.00 C ATOM 435 C GLY A 155 -12.368 0.508 -2.585 1.00 0.00 C ATOM 436 O GLY A 155 -12.635 0.048 -3.695 1.00 0.00 O ATOM 0 H GLY A 155 -12.820 0.225 0.133 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.342 0.396 -1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -13.769 2.030 -2.028 1.00 0.00 H new ATOM 440 N GLY A 156 -11.128 0.569 -2.105 1.00 0.00 N ATOM 441 CA GLY A 156 -10.004 0.086 -2.885 1.00 0.00 C ATOM 442 C GLY A 156 -8.771 0.954 -2.722 1.00 0.00 C ATOM 443 O GLY A 156 -8.190 1.407 -3.707 1.00 0.00 O ATOM 0 H GLY A 156 -10.883 0.945 -1.189 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.769 -0.935 -2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.284 0.052 -3.938 1.00 0.00 H new ATOM 447 N ARG A 157 -8.374 1.191 -1.475 1.00 0.00 N ATOM 448 CA ARG A 157 -7.205 2.016 -1.189 1.00 0.00 C ATOM 449 C ARG A 157 -6.109 1.204 -0.498 1.00 0.00 C ATOM 450 O ARG A 157 -6.391 0.294 0.282 1.00 0.00 O ATOM 451 CB ARG A 157 -7.617 3.233 -0.339 1.00 0.00 C ATOM 452 CG ARG A 157 -7.302 3.121 1.150 1.00 0.00 C ATOM 453 CD ARG A 157 -6.072 3.935 1.522 1.00 0.00 C ATOM 454 NE ARG A 157 -5.694 3.748 2.920 1.00 0.00 N ATOM 455 CZ ARG A 157 -6.380 4.246 3.947 1.00 0.00 C ATOM 456 NH1 ARG A 157 -7.478 4.961 3.735 1.00 0.00 N ATOM 457 NH2 ARG A 157 -5.966 4.029 5.187 1.00 0.00 N ATOM 0 H ARG A 157 -8.844 0.824 -0.648 1.00 0.00 H new ATOM 0 HA ARG A 157 -6.794 2.374 -2.133 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.118 4.118 -0.734 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.689 3.392 -0.457 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -8.157 3.466 1.731 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -7.140 2.075 1.411 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -5.239 3.648 0.880 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.267 4.991 1.337 1.00 0.00 H new ATOM 0 HE ARG A 157 -4.855 3.204 3.122 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -7.800 5.131 2.782 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -8.000 5.340 4.525 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -5.122 3.481 5.354 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -6.491 4.410 5.974 1.00 0.00 H new ATOM 471 N LEU A 158 -4.859 1.546 -0.789 1.00 0.00 N ATOM 472 CA LEU A 158 -3.711 0.863 -0.200 1.00 0.00 C ATOM 473 C LEU A 158 -3.743 0.970 1.323 1.00 0.00 C ATOM 474 O LEU A 158 -4.059 2.025 1.872 1.00 0.00 O ATOM 475 CB LEU A 158 -2.414 1.480 -0.734 1.00 0.00 C ATOM 476 CG LEU A 158 -1.232 0.518 -0.869 1.00 0.00 C ATOM 477 CD1 LEU A 158 -0.850 -0.060 0.484 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.556 -0.592 -1.855 1.00 0.00 C ATOM 0 H LEU A 158 -4.613 2.297 -1.434 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.755 -0.191 -0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -2.616 1.918 -1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.122 2.296 -0.073 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.379 1.078 -1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.008 -0.741 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.570 0.749 1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.699 -0.603 0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.703 -1.266 -1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.425 -1.148 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -1.772 -0.159 -2.832 1.00 0.00 H new ATOM 490 N THR A 159 -3.415 -0.125 2.006 1.00 0.00 N ATOM 491 CA THR A 159 -3.410 -0.135 3.466 1.00 0.00 C ATOM 492 C THR A 159 -2.133 -0.768 4.012 1.00 0.00 C ATOM 493 O THR A 159 -1.467 -1.553 3.329 1.00 0.00 O ATOM 494 CB THR A 159 -4.632 -0.885 3.999 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.020 -1.914 3.108 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.833 0.009 4.220 1.00 0.00 C ATOM 0 H THR A 159 -3.151 -1.011 1.575 1.00 0.00 H new ATOM 0 HA THR A 159 -3.450 0.900 3.805 1.00 0.00 H new ATOM 0 HB THR A 159 -4.321 -1.294 4.960 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.723 -1.691 2.201 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.665 -0.586 4.598 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.582 0.784 4.945 1.00 0.00 H new ATOM 0 HG23 THR A 159 -6.119 0.474 3.277 1.00 0.00 H new ATOM 504 N ARG A 160 -1.799 -0.427 5.256 1.00 0.00 N ATOM 505 CA ARG A 160 -0.606 -0.965 5.900 1.00 0.00 C ATOM 506 C ARG A 160 -0.639 -2.487 5.884 1.00 0.00 C ATOM 507 O ARG A 160 0.396 -3.142 5.758 1.00 0.00 O ATOM 508 CB ARG A 160 -0.502 -0.455 7.338 1.00 0.00 C ATOM 509 CG ARG A 160 -0.168 1.025 7.436 1.00 0.00 C ATOM 510 CD ARG A 160 1.276 1.245 7.862 1.00 0.00 C ATOM 511 NE ARG A 160 1.396 1.441 9.304 1.00 0.00 N ATOM 512 CZ ARG A 160 2.541 1.721 9.921 1.00 0.00 C ATOM 513 NH1 ARG A 160 3.666 1.838 9.226 1.00 0.00 N ATOM 514 NH2 ARG A 160 2.563 1.884 11.237 1.00 0.00 N ATOM 0 H ARG A 160 -2.337 0.218 5.835 1.00 0.00 H new ATOM 0 HA ARG A 160 0.270 -0.627 5.346 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -1.446 -0.640 7.850 1.00 0.00 H new ATOM 0 HB3 ARG A 160 0.263 -1.027 7.863 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -0.340 1.502 6.471 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -0.836 1.503 8.152 1.00 0.00 H new ATOM 0 HD2 ARG A 160 1.878 0.387 7.561 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.679 2.115 7.343 1.00 0.00 H new ATOM 0 HE ARG A 160 0.553 1.358 9.872 1.00 0.00 H new ATOM 0 HH11 ARG A 160 3.655 1.713 8.214 1.00 0.00 H new ATOM 0 HH12 ARG A 160 4.541 2.053 9.704 1.00 0.00 H new ATOM 0 HH21 ARG A 160 1.702 1.795 11.776 1.00 0.00 H new ATOM 0 HH22 ARG A 160 3.441 2.099 11.710 1.00 0.00 H new ATOM 528 N GLU A 161 -1.840 -3.043 5.992 1.00 0.00 N ATOM 529 CA GLU A 161 -2.016 -4.486 5.967 1.00 0.00 C ATOM 530 C GLU A 161 -1.630 -5.027 4.597 1.00 0.00 C ATOM 531 O GLU A 161 -1.047 -6.106 4.482 1.00 0.00 O ATOM 532 CB GLU A 161 -3.464 -4.856 6.290 1.00 0.00 C ATOM 533 CG GLU A 161 -3.945 -4.320 7.629 1.00 0.00 C ATOM 534 CD GLU A 161 -4.894 -5.272 8.332 1.00 0.00 C ATOM 535 OE1 GLU A 161 -4.497 -6.428 8.583 1.00 0.00 O ATOM 536 OE2 GLU A 161 -6.034 -4.858 8.631 1.00 0.00 O ATOM 0 H GLU A 161 -2.706 -2.514 6.098 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.371 -4.932 6.724 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -4.112 -4.474 5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.562 -5.942 6.286 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -3.084 -4.131 8.271 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -4.444 -3.363 7.475 1.00 0.00 H new ATOM 543 N ASP A 162 -1.955 -4.260 3.560 1.00 0.00 N ATOM 544 CA ASP A 162 -1.639 -4.646 2.192 1.00 0.00 C ATOM 545 C ASP A 162 -0.131 -4.746 2.002 1.00 0.00 C ATOM 546 O ASP A 162 0.381 -5.768 1.548 1.00 0.00 O ATOM 547 CB ASP A 162 -2.222 -3.634 1.207 1.00 0.00 C ATOM 548 CG ASP A 162 -3.737 -3.624 1.216 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.336 -4.658 1.580 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.323 -2.581 0.862 1.00 0.00 O ATOM 0 H ASP A 162 -2.438 -3.366 3.644 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.083 -5.623 1.999 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.854 -2.638 1.453 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -1.869 -3.865 0.202 1.00 0.00 H new ATOM 555 N VAL A 163 0.577 -3.677 2.358 1.00 0.00 N ATOM 556 CA VAL A 163 2.030 -3.655 2.228 1.00 0.00 C ATOM 557 C VAL A 163 2.662 -4.764 3.062 1.00 0.00 C ATOM 558 O VAL A 163 3.675 -5.345 2.673 1.00 0.00 O ATOM 559 CB VAL A 163 2.624 -2.299 2.659 1.00 0.00 C ATOM 560 CG1 VAL A 163 4.132 -2.283 2.453 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.965 -1.159 1.897 1.00 0.00 C ATOM 0 H VAL A 163 0.171 -2.821 2.736 1.00 0.00 H new ATOM 0 HA VAL A 163 2.256 -3.813 1.173 1.00 0.00 H new ATOM 0 HB VAL A 163 2.424 -2.160 3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.531 -1.317 2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.589 -3.073 3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.357 -2.447 1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.398 -0.211 2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 163 2.130 -1.293 0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.894 -1.156 2.101 1.00 0.00 H new ATOM 571 N GLU A 164 2.056 -5.054 4.207 1.00 0.00 N ATOM 572 CA GLU A 164 2.559 -6.098 5.091 1.00 0.00 C ATOM 573 C GLU A 164 2.443 -7.464 4.426 1.00 0.00 C ATOM 574 O GLU A 164 3.382 -8.259 4.450 1.00 0.00 O ATOM 575 CB GLU A 164 1.792 -6.091 6.415 1.00 0.00 C ATOM 576 CG GLU A 164 2.364 -5.130 7.444 1.00 0.00 C ATOM 577 CD GLU A 164 2.586 -5.784 8.794 1.00 0.00 C ATOM 578 OE1 GLU A 164 1.586 -6.157 9.445 1.00 0.00 O ATOM 579 OE2 GLU A 164 3.758 -5.924 9.201 1.00 0.00 O ATOM 0 H GLU A 164 1.217 -4.582 4.545 1.00 0.00 H new ATOM 0 HA GLU A 164 3.611 -5.898 5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 164 0.752 -5.827 6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 164 1.793 -7.098 6.831 1.00 0.00 H new ATOM 0 HG2 GLU A 164 3.310 -4.732 7.077 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.687 -4.284 7.561 1.00 0.00 H new ATOM 586 N LYS A 165 1.288 -7.726 3.824 1.00 0.00 N ATOM 587 CA LYS A 165 1.053 -8.992 3.144 1.00 0.00 C ATOM 588 C LYS A 165 2.039 -9.168 1.995 1.00 0.00 C ATOM 589 O LYS A 165 2.628 -10.235 1.825 1.00 0.00 O ATOM 590 CB LYS A 165 -0.382 -9.057 2.618 1.00 0.00 C ATOM 591 CG LYS A 165 -1.435 -8.928 3.705 1.00 0.00 C ATOM 592 CD LYS A 165 -2.689 -8.240 3.186 1.00 0.00 C ATOM 593 CE LYS A 165 -3.894 -8.546 4.060 1.00 0.00 C ATOM 594 NZ LYS A 165 -5.164 -8.522 3.283 1.00 0.00 N ATOM 0 H LYS A 165 0.501 -7.078 3.794 1.00 0.00 H new ATOM 0 HA LYS A 165 1.200 -9.800 3.860 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.528 -8.262 1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.526 -10.002 2.095 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.692 -9.917 4.084 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -1.028 -8.362 4.542 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -2.527 -7.163 3.152 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -2.887 -8.565 2.165 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -3.769 -9.526 4.521 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -3.950 -7.818 4.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -5.962 -8.735 3.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -5.297 -7.579 2.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -5.122 -9.234 2.526 1.00 0.00 H new ATOM 608 N TRP A 166 2.219 -8.107 1.215 1.00 0.00 N ATOM 609 CA TRP A 166 3.140 -8.135 0.086 1.00 0.00 C ATOM 610 C TRP A 166 4.578 -8.274 0.576 1.00 0.00 C ATOM 611 O TRP A 166 5.355 -9.062 0.039 1.00 0.00 O ATOM 612 CB TRP A 166 2.984 -6.860 -0.745 1.00 0.00 C ATOM 613 CG TRP A 166 3.991 -6.730 -1.848 1.00 0.00 C ATOM 614 CD1 TRP A 166 3.819 -7.057 -3.162 1.00 0.00 C ATOM 615 CD2 TRP A 166 5.328 -6.236 -1.729 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.971 -6.800 -3.866 1.00 0.00 N ATOM 617 CE2 TRP A 166 5.912 -6.296 -3.008 1.00 0.00 C ATOM 618 CE3 TRP A 166 6.087 -5.750 -0.664 1.00 0.00 C ATOM 619 CZ2 TRP A 166 7.221 -5.888 -3.247 1.00 0.00 C ATOM 620 CZ3 TRP A 166 7.386 -5.344 -0.901 1.00 0.00 C ATOM 621 CH2 TRP A 166 7.942 -5.416 -2.185 1.00 0.00 C ATOM 0 H TRP A 166 1.738 -7.217 1.345 1.00 0.00 H new ATOM 0 HA TRP A 166 2.904 -8.996 -0.539 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.983 -6.838 -1.175 1.00 0.00 H new ATOM 0 HB3 TRP A 166 3.067 -5.996 -0.086 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.911 -7.459 -3.586 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.104 -6.959 -4.865 1.00 0.00 H new ATOM 0 HE3 TRP A 166 5.666 -5.692 0.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 7.652 -5.942 -4.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 7.982 -4.965 -0.084 1.00 0.00 H new ATOM 0 HH2 TRP A 166 8.961 -5.092 -2.339 1.00 0.00 H new ATOM 632 N LEU A 167 4.919 -7.503 1.602 1.00 0.00 N ATOM 633 CA LEU A 167 6.261 -7.536 2.173 1.00 0.00 C ATOM 634 C LEU A 167 6.601 -8.931 2.685 1.00 0.00 C ATOM 635 O LEU A 167 7.754 -9.361 2.629 1.00 0.00 O ATOM 636 CB LEU A 167 6.374 -6.523 3.315 1.00 0.00 C ATOM 637 CG LEU A 167 6.707 -5.096 2.883 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.473 -4.123 4.029 1.00 0.00 C ATOM 639 CD2 LEU A 167 8.144 -5.010 2.393 1.00 0.00 C ATOM 0 H LEU A 167 4.284 -6.846 2.056 1.00 0.00 H new ATOM 0 HA LEU A 167 6.970 -7.274 1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.432 -6.510 3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.142 -6.865 4.009 1.00 0.00 H new ATOM 0 HG LEU A 167 6.046 -4.822 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.715 -3.112 3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.427 -4.165 4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 167 7.108 -4.394 4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.364 -3.987 2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.820 -5.304 3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.279 -5.678 1.542 1.00 0.00 H new ATOM 651 N ALA A 168 5.592 -9.632 3.189 1.00 0.00 N ATOM 652 CA ALA A 168 5.782 -10.977 3.716 1.00 0.00 C ATOM 653 C ALA A 168 5.766 -12.019 2.603 1.00 0.00 C ATOM 654 O ALA A 168 6.586 -12.936 2.585 1.00 0.00 O ATOM 655 CB ALA A 168 4.712 -11.294 4.751 1.00 0.00 C ATOM 0 H ALA A 168 4.633 -9.290 3.244 1.00 0.00 H new ATOM 0 HA ALA A 168 6.761 -11.013 4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 168 4.866 -12.302 5.136 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.775 -10.578 5.571 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.727 -11.229 4.288 1.00 0.00 H new ATOM 661 N LYS A 169 4.826 -11.871 1.679 1.00 0.00 N ATOM 662 CA LYS A 169 4.700 -12.800 0.561 1.00 0.00 C ATOM 663 C LYS A 169 5.838 -12.611 -0.439 1.00 0.00 C ATOM 664 O LYS A 169 6.250 -13.558 -1.109 1.00 0.00 O ATOM 665 CB LYS A 169 3.350 -12.612 -0.137 1.00 0.00 C ATOM 666 CG LYS A 169 2.319 -13.665 0.241 1.00 0.00 C ATOM 667 CD LYS A 169 1.188 -13.075 1.069 1.00 0.00 C ATOM 668 CE LYS A 169 0.941 -13.882 2.334 1.00 0.00 C ATOM 669 NZ LYS A 169 2.102 -13.825 3.265 1.00 0.00 N ATOM 0 H LYS A 169 4.139 -11.117 1.680 1.00 0.00 H new ATOM 0 HA LYS A 169 4.757 -13.814 0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 169 2.957 -11.626 0.109 1.00 0.00 H new ATOM 0 HB3 LYS A 169 3.502 -12.635 -1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 169 1.911 -14.115 -0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 169 2.804 -14.463 0.804 1.00 0.00 H new ATOM 0 HD2 LYS A 169 1.429 -12.046 1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 169 0.277 -13.045 0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 169 0.052 -13.503 2.839 1.00 0.00 H new ATOM 0 HE3 LYS A 169 0.739 -14.920 2.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 1.782 -14.032 4.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 2.812 -14.528 2.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 2.524 -12.875 3.236 1.00 0.00 H new ATOM 683 N ALA A 170 6.341 -11.385 -0.533 1.00 0.00 N ATOM 684 CA ALA A 170 7.430 -11.074 -1.450 1.00 0.00 C ATOM 685 C ALA A 170 8.669 -11.905 -1.131 1.00 0.00 C ATOM 686 O ALA A 170 9.433 -11.504 -0.227 1.00 0.00 O ATOM 687 CB ALA A 170 7.759 -9.591 -1.396 1.00 0.00 C ATOM 688 OXT ALA A 170 8.866 -12.949 -1.787 1.00 0.00 O ATOM 0 H ALA A 170 6.011 -10.590 0.015 1.00 0.00 H new ATOM 0 HA ALA A 170 7.105 -11.325 -2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 170 8.574 -9.374 -2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.880 -9.013 -1.680 1.00 0.00 H new ATOM 0 HB3 ALA A 170 8.059 -9.322 -0.383 1.00 0.00 H new TER 694 ALA A 170