USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 547 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 7 ASN : amide:sc= -0.449 X(o=-0.45,f=-0.0093) USER MOD Single : A 12 THR OG1 : rot 82:sc= 0.362 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.481 X(o=-0.48,f=-0.001) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -14:sc= -0.879! USER MOD Single : A 31 SER OG : rot 14:sc= 0.326 USER MOD Single : A 35 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0406) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -157:sc= 0.727 (180deg=-0.885!) USER MOD Single : A 43 MET CE :methyl 170:sc= -0.686 (180deg=-1.02) USER MOD Single : A 46 HIS : no HE2:sc= -3.74! C(o=-3.7!,f=-6.2!) USER MOD Single : A 51 SER OG : rot 174:sc= 0.171 USER MOD Single : A 52 HIS : no HE2:sc= 0.879 K(o=0.88,f=-2.9!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -130:sc= 1.28 USER MOD Single : A 62 SER OG : rot -170:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.0586 K(o=-0.059,f=-9.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 7 -7.180 -1.630 -14.598 1.00 0.00 N ATOM 2 CA ASN A 7 -8.399 -1.479 -13.831 1.00 0.00 C ATOM 3 C ASN A 7 -8.091 -1.814 -12.406 1.00 0.00 C ATOM 4 O ASN A 7 -7.896 -2.988 -12.071 1.00 0.00 O ATOM 5 CB ASN A 7 -9.524 -2.391 -14.333 1.00 0.00 C ATOM 6 CG ASN A 7 -10.803 -2.262 -13.492 1.00 0.00 C ATOM 7 OD1 ASN A 7 -11.678 -1.451 -13.793 1.00 0.00 O ATOM 8 ND2 ASN A 7 -10.897 -3.021 -12.417 1.00 0.00 N ATOM 0 HA ASN A 7 -8.748 -0.452 -13.937 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -9.749 -2.147 -15.371 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -9.184 -3.426 -14.315 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -11.712 -2.945 -11.809 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -10.155 -3.684 -12.194 1.00 0.00 H new ATOM 15 N ARG A 8 -8.028 -0.796 -11.592 1.00 0.00 N ATOM 16 CA ARG A 8 -7.688 -0.902 -10.187 1.00 0.00 C ATOM 17 C ARG A 8 -6.288 -1.504 -10.009 1.00 0.00 C ATOM 18 O ARG A 8 -6.137 -2.715 -9.792 1.00 0.00 O ATOM 19 CB ARG A 8 -8.733 -1.678 -9.369 1.00 0.00 C ATOM 20 CG ARG A 8 -10.140 -1.122 -9.467 1.00 0.00 C ATOM 21 CD ARG A 8 -11.060 -1.808 -8.483 1.00 0.00 C ATOM 22 NE ARG A 8 -12.449 -1.355 -8.598 1.00 0.00 N ATOM 23 CZ ARG A 8 -13.064 -0.554 -7.714 1.00 0.00 C ATOM 24 NH1 ARG A 8 -12.350 0.095 -6.795 1.00 0.00 N ATOM 25 NH2 ARG A 8 -14.372 -0.350 -7.795 1.00 0.00 N ATOM 0 H ARG A 8 -8.216 0.161 -11.890 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.686 0.114 -9.791 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.741 -2.716 -9.702 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.428 -1.682 -8.322 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.126 -0.050 -9.272 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.519 -1.257 -10.480 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.019 -2.885 -8.644 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.704 -1.623 -7.469 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.986 -1.670 -9.406 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.337 -0.017 -6.764 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.817 0.704 -6.123 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.914 -0.803 -8.531 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.836 0.259 -7.121 1.00 0.00 H new ATOM 39 N PRO A 9 -5.237 -0.674 -10.144 1.00 0.00 N ATOM 40 CA PRO A 9 -3.830 -1.114 -10.027 1.00 0.00 C ATOM 41 C PRO A 9 -3.418 -1.324 -8.561 1.00 0.00 C ATOM 42 O PRO A 9 -2.299 -0.961 -8.145 1.00 0.00 O ATOM 43 CB PRO A 9 -3.066 0.069 -10.631 1.00 0.00 C ATOM 44 CG PRO A 9 -3.909 1.252 -10.319 1.00 0.00 C ATOM 45 CD PRO A 9 -5.330 0.780 -10.408 1.00 0.00 C ATOM 0 HA PRO A 9 -3.641 -2.068 -10.518 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.071 0.164 -10.195 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.933 -0.051 -11.706 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.687 1.638 -9.324 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.722 2.062 -11.024 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.964 1.280 -9.676 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.758 0.982 -11.390 1.00 0.00 H new ATOM 53 N GLY A 10 -4.295 -1.966 -7.821 1.00 0.00 N ATOM 54 CA GLY A 10 -4.099 -2.198 -6.430 1.00 0.00 C ATOM 55 C GLY A 10 -3.106 -3.294 -6.126 1.00 0.00 C ATOM 56 O GLY A 10 -2.314 -3.682 -6.994 1.00 0.00 O ATOM 0 H GLY A 10 -5.171 -2.341 -8.185 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.760 -1.274 -5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.057 -2.453 -5.976 1.00 0.00 H new ATOM 60 N ILE A 11 -3.175 -3.792 -4.878 1.00 0.00 N ATOM 61 CA ILE A 11 -2.257 -4.806 -4.318 1.00 0.00 C ATOM 62 C ILE A 11 -1.990 -5.934 -5.297 1.00 0.00 C ATOM 63 O ILE A 11 -2.790 -6.852 -5.440 1.00 0.00 O ATOM 64 CB ILE A 11 -2.798 -5.407 -2.982 1.00 0.00 C ATOM 65 CG1 ILE A 11 -3.188 -4.280 -2.013 1.00 0.00 C ATOM 66 CG2 ILE A 11 -1.752 -6.325 -2.339 1.00 0.00 C ATOM 67 CD1 ILE A 11 -3.772 -4.754 -0.695 1.00 0.00 C ATOM 0 H ILE A 11 -3.888 -3.494 -4.212 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.321 -4.283 -4.119 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.684 -6.001 -3.204 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.306 -3.674 -1.807 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.913 -3.631 -2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.149 -6.733 -1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.515 -7.141 -3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.848 -5.754 -2.128 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.018 -3.892 -0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.675 -5.334 -0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.043 -5.377 -0.177 1.00 0.00 H new ATOM 79 N THR A 12 -0.882 -5.826 -5.994 1.00 0.00 N ATOM 80 CA THR A 12 -0.490 -6.813 -6.960 1.00 0.00 C ATOM 81 C THR A 12 0.174 -8.013 -6.245 1.00 0.00 C ATOM 82 O THR A 12 0.395 -9.075 -6.838 1.00 0.00 O ATOM 83 CB THR A 12 0.457 -6.153 -7.984 1.00 0.00 C ATOM 84 OG1 THR A 12 -0.131 -4.900 -8.401 1.00 0.00 O ATOM 85 CG2 THR A 12 0.650 -7.029 -9.216 1.00 0.00 C ATOM 0 H THR A 12 -0.229 -5.048 -5.903 1.00 0.00 H new ATOM 0 HA THR A 12 -1.360 -7.196 -7.493 1.00 0.00 H new ATOM 0 HB THR A 12 1.429 -6.005 -7.513 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.063 -4.209 -7.733 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.323 -6.531 -9.914 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.079 -7.986 -8.918 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.313 -7.197 -9.697 1.00 0.00 H new ATOM 93 N PHE A 13 0.469 -7.804 -4.947 1.00 0.00 N ATOM 94 CA PHE A 13 1.046 -8.810 -4.036 1.00 0.00 C ATOM 95 C PHE A 13 2.472 -9.208 -4.488 1.00 0.00 C ATOM 96 O PHE A 13 3.009 -10.255 -4.125 1.00 0.00 O ATOM 97 CB PHE A 13 0.082 -10.026 -3.901 1.00 0.00 C ATOM 98 CG PHE A 13 0.373 -10.963 -2.749 1.00 0.00 C ATOM 99 CD1 PHE A 13 0.085 -10.587 -1.448 1.00 0.00 C ATOM 100 CD2 PHE A 13 0.915 -12.219 -2.969 1.00 0.00 C ATOM 101 CE1 PHE A 13 0.336 -11.442 -0.393 1.00 0.00 C ATOM 102 CE2 PHE A 13 1.168 -13.076 -1.917 1.00 0.00 C ATOM 103 CZ PHE A 13 0.880 -12.688 -0.628 1.00 0.00 C ATOM 0 H PHE A 13 0.308 -6.906 -4.492 1.00 0.00 H new ATOM 0 HA PHE A 13 1.154 -8.380 -3.040 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.936 -9.651 -3.793 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.114 -10.598 -4.829 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.341 -9.613 -1.256 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.143 -12.532 -3.977 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.106 -11.135 0.617 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.592 -14.051 -2.105 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.079 -13.357 0.196 1.00 0.00 H new ATOM 113 N GLU A 14 3.094 -8.321 -5.230 1.00 0.00 N ATOM 114 CA GLU A 14 4.446 -8.512 -5.696 1.00 0.00 C ATOM 115 C GLU A 14 5.303 -7.409 -5.096 1.00 0.00 C ATOM 116 O GLU A 14 4.882 -6.238 -5.075 1.00 0.00 O ATOM 117 CB GLU A 14 4.514 -8.404 -7.228 1.00 0.00 C ATOM 118 CG GLU A 14 3.627 -9.373 -8.006 1.00 0.00 C ATOM 119 CD GLU A 14 3.973 -10.819 -7.773 1.00 0.00 C ATOM 120 OE1 GLU A 14 5.081 -11.241 -8.139 1.00 0.00 O ATOM 121 OE2 GLU A 14 3.135 -11.573 -7.251 1.00 0.00 O ATOM 0 H GLU A 14 2.672 -7.441 -5.529 1.00 0.00 H new ATOM 0 HA GLU A 14 4.796 -9.500 -5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.245 -7.387 -7.513 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.547 -8.559 -7.538 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.587 -9.206 -7.726 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.709 -9.154 -9.071 1.00 0.00 H new ATOM 128 N ILE A 15 6.469 -7.749 -4.615 1.00 0.00 N ATOM 129 CA ILE A 15 7.373 -6.759 -4.074 1.00 0.00 C ATOM 130 C ILE A 15 7.904 -5.905 -5.220 1.00 0.00 C ATOM 131 O ILE A 15 8.428 -6.420 -6.206 1.00 0.00 O ATOM 132 CB ILE A 15 8.539 -7.415 -3.270 1.00 0.00 C ATOM 133 CG1 ILE A 15 8.003 -8.043 -1.967 1.00 0.00 C ATOM 134 CG2 ILE A 15 9.643 -6.399 -2.965 1.00 0.00 C ATOM 135 CD1 ILE A 15 9.036 -8.821 -1.177 1.00 0.00 C ATOM 0 H ILE A 15 6.820 -8.706 -4.585 1.00 0.00 H new ATOM 0 HA ILE A 15 6.830 -6.130 -3.369 1.00 0.00 H new ATOM 0 HB ILE A 15 8.974 -8.203 -3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.600 -7.251 -1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.174 -8.708 -2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.441 -6.886 -2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.044 -6.006 -3.899 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.231 -5.581 -2.374 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.575 -9.228 -0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.422 -9.637 -1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.855 -8.158 -0.897 1.00 0.00 H new ATOM 147 N GLY A 16 7.696 -4.623 -5.109 1.00 0.00 N ATOM 148 CA GLY A 16 8.091 -3.698 -6.132 1.00 0.00 C ATOM 149 C GLY A 16 6.920 -3.296 -6.967 1.00 0.00 C ATOM 150 O GLY A 16 7.015 -2.383 -7.796 1.00 0.00 O ATOM 0 H GLY A 16 7.246 -4.189 -4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.538 -2.815 -5.676 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.855 -4.152 -6.764 1.00 0.00 H new ATOM 154 N ALA A 17 5.811 -3.977 -6.768 1.00 0.00 N ATOM 155 CA ALA A 17 4.613 -3.657 -7.479 1.00 0.00 C ATOM 156 C ALA A 17 3.824 -2.658 -6.676 1.00 0.00 C ATOM 157 O ALA A 17 4.088 -2.461 -5.476 1.00 0.00 O ATOM 158 CB ALA A 17 3.792 -4.900 -7.764 1.00 0.00 C ATOM 0 H ALA A 17 5.725 -4.756 -6.116 1.00 0.00 H new ATOM 0 HA ALA A 17 4.873 -3.222 -8.444 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.888 -4.622 -8.306 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.378 -5.593 -8.368 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.519 -5.379 -6.824 1.00 0.00 H new ATOM 164 N ARG A 18 2.894 -2.030 -7.303 1.00 0.00 N ATOM 165 CA ARG A 18 2.128 -1.016 -6.661 1.00 0.00 C ATOM 166 C ARG A 18 0.850 -1.575 -6.072 1.00 0.00 C ATOM 167 O ARG A 18 0.452 -2.720 -6.356 1.00 0.00 O ATOM 168 CB ARG A 18 1.814 0.116 -7.636 1.00 0.00 C ATOM 169 CG ARG A 18 3.051 0.773 -8.220 1.00 0.00 C ATOM 170 CD ARG A 18 2.701 1.935 -9.118 1.00 0.00 C ATOM 171 NE ARG A 18 1.817 1.546 -10.228 1.00 0.00 N ATOM 172 CZ ARG A 18 1.301 2.396 -11.121 1.00 0.00 C ATOM 173 NH1 ARG A 18 1.573 3.702 -11.041 1.00 0.00 N ATOM 174 NH2 ARG A 18 0.505 1.943 -12.076 1.00 0.00 N ATOM 0 H ARG A 18 2.641 -2.203 -8.276 1.00 0.00 H new ATOM 0 HA ARG A 18 2.727 -0.618 -5.841 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.202 -0.275 -8.449 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.219 0.872 -7.123 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.694 1.120 -7.411 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.621 0.036 -8.786 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.216 2.712 -8.528 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.617 2.366 -9.522 1.00 0.00 H new ATOM 0 HE ARG A 18 1.581 0.558 -10.323 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.176 4.053 -10.297 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.178 4.348 -11.724 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.287 0.948 -12.129 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.109 2.589 -12.759 1.00 0.00 H new ATOM 188 N LEU A 19 0.266 -0.800 -5.210 1.00 0.00 N ATOM 189 CA LEU A 19 -1.026 -1.090 -4.628 1.00 0.00 C ATOM 190 C LEU A 19 -1.784 0.212 -4.467 1.00 0.00 C ATOM 191 O LEU A 19 -1.157 1.271 -4.436 1.00 0.00 O ATOM 192 CB LEU A 19 -0.916 -1.904 -3.279 1.00 0.00 C ATOM 193 CG LEU A 19 -0.268 -1.293 -1.993 1.00 0.00 C ATOM 194 CD1 LEU A 19 1.129 -0.791 -2.198 1.00 0.00 C ATOM 195 CD2 LEU A 19 -1.134 -0.246 -1.347 1.00 0.00 C ATOM 0 H LEU A 19 0.676 0.073 -4.879 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.582 -1.745 -5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.929 -2.203 -3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.364 -2.816 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.193 -2.131 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.510 -0.383 -1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.767 -1.613 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.127 -0.012 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.634 0.143 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.308 0.568 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.088 -0.689 -1.061 1.00 0.00 H new ATOM 207 N GLU A 20 -3.099 0.179 -4.357 1.00 0.00 N ATOM 208 CA GLU A 20 -3.803 1.427 -4.193 1.00 0.00 C ATOM 209 C GLU A 20 -3.904 1.706 -2.746 1.00 0.00 C ATOM 210 O GLU A 20 -4.263 0.833 -1.968 1.00 0.00 O ATOM 211 CB GLU A 20 -5.169 1.413 -4.850 1.00 0.00 C ATOM 212 CG GLU A 20 -5.138 1.284 -6.358 1.00 0.00 C ATOM 213 CD GLU A 20 -6.510 1.400 -6.957 1.00 0.00 C ATOM 214 OE1 GLU A 20 -6.982 2.541 -7.168 1.00 0.00 O ATOM 215 OE2 GLU A 20 -7.157 0.381 -7.200 1.00 0.00 O ATOM 0 H GLU A 20 -3.677 -0.661 -4.377 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.246 2.220 -4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.748 0.586 -4.439 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.694 2.331 -4.587 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.493 2.057 -6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.702 0.323 -6.632 1.00 0.00 H new ATOM 222 N ALA A 21 -3.530 2.863 -2.369 1.00 0.00 N ATOM 223 CA ALA A 21 -3.540 3.219 -1.007 1.00 0.00 C ATOM 224 C ALA A 21 -4.071 4.584 -0.849 1.00 0.00 C ATOM 225 O ALA A 21 -3.886 5.425 -1.709 1.00 0.00 O ATOM 226 CB ALA A 21 -2.144 3.142 -0.440 1.00 0.00 C ATOM 0 H ALA A 21 -3.206 3.596 -3.000 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.180 2.522 -0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.164 3.419 0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.766 2.125 -0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.492 3.826 -0.983 1.00 0.00 H new ATOM 232 N LEU A 22 -4.751 4.772 0.211 1.00 0.00 N ATOM 233 CA LEU A 22 -5.254 6.028 0.618 1.00 0.00 C ATOM 234 C LEU A 22 -4.199 6.517 1.542 1.00 0.00 C ATOM 235 O LEU A 22 -3.585 5.720 2.248 1.00 0.00 O ATOM 236 CB LEU A 22 -6.592 5.787 1.369 1.00 0.00 C ATOM 237 CG LEU A 22 -7.580 6.950 1.629 1.00 0.00 C ATOM 238 CD1 LEU A 22 -8.773 6.429 2.401 1.00 0.00 C ATOM 239 CD2 LEU A 22 -6.975 8.085 2.402 1.00 0.00 C ATOM 0 H LEU A 22 -4.986 4.017 0.855 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.456 6.733 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.137 5.023 0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.341 5.358 2.339 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.869 7.337 0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.471 7.245 2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.270 5.651 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.438 6.015 3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.722 8.865 2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.633 7.723 3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.129 8.492 1.848 1.00 0.00 H new ATOM 251 N ASP A 23 -3.879 7.729 1.469 1.00 0.00 N ATOM 252 CA ASP A 23 -3.019 8.268 2.470 1.00 0.00 C ATOM 253 C ASP A 23 -3.619 9.494 2.976 1.00 0.00 C ATOM 254 O ASP A 23 -4.591 9.967 2.364 1.00 0.00 O ATOM 255 CB ASP A 23 -1.626 8.535 1.976 1.00 0.00 C ATOM 256 CG ASP A 23 -1.439 9.846 1.215 1.00 0.00 C ATOM 257 OD1 ASP A 23 -2.308 10.258 0.418 1.00 0.00 O ATOM 258 OD2 ASP A 23 -0.388 10.480 1.413 1.00 0.00 O ATOM 0 H ASP A 23 -4.183 8.380 0.745 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.917 7.525 3.261 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.949 8.531 2.830 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.325 7.712 1.327 1.00 0.00 H new ATOM 263 N TYR A 24 -2.995 10.025 4.041 1.00 0.00 N ATOM 264 CA TYR A 24 -3.379 11.208 4.840 1.00 0.00 C ATOM 265 C TYR A 24 -3.862 12.391 4.015 1.00 0.00 C ATOM 266 O TYR A 24 -4.668 13.190 4.481 1.00 0.00 O ATOM 267 CB TYR A 24 -2.164 11.621 5.685 1.00 0.00 C ATOM 268 CG TYR A 24 -2.343 12.869 6.525 1.00 0.00 C ATOM 269 CD1 TYR A 24 -2.916 12.802 7.778 1.00 0.00 C ATOM 270 CD2 TYR A 24 -1.931 14.115 6.053 1.00 0.00 C ATOM 271 CE1 TYR A 24 -3.080 13.933 8.545 1.00 0.00 C ATOM 272 CE2 TYR A 24 -2.091 15.250 6.810 1.00 0.00 C ATOM 273 CZ TYR A 24 -2.671 15.152 8.066 1.00 0.00 C ATOM 274 OH TYR A 24 -2.840 16.282 8.849 1.00 0.00 O ATOM 0 H TYR A 24 -2.137 9.605 4.397 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.230 10.922 5.459 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -1.906 10.794 6.346 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.315 11.772 5.018 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.241 11.847 8.163 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.478 14.189 5.075 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.531 13.861 9.524 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.769 16.209 6.431 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.499 17.066 8.370 1.00 0.00 H new ATOM 284 N LEU A 25 -3.393 12.500 2.813 1.00 0.00 N ATOM 285 CA LEU A 25 -3.779 13.581 1.937 1.00 0.00 C ATOM 286 C LEU A 25 -5.143 13.287 1.300 1.00 0.00 C ATOM 287 O LEU A 25 -5.701 14.102 0.556 1.00 0.00 O ATOM 288 CB LEU A 25 -2.668 13.832 0.893 1.00 0.00 C ATOM 289 CG LEU A 25 -1.388 14.552 1.407 1.00 0.00 C ATOM 290 CD1 LEU A 25 -1.727 15.888 2.039 1.00 0.00 C ATOM 291 CD2 LEU A 25 -0.585 13.687 2.382 1.00 0.00 C ATOM 0 H LEU A 25 -2.729 11.844 2.402 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.894 14.501 2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.374 12.872 0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.090 14.423 0.080 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.759 14.729 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.813 16.368 2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.212 16.527 1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.400 15.731 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.298 14.234 2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.203 13.442 3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.277 12.768 1.884 1.00 0.00 H new ATOM 303 N GLN A 26 -5.646 12.106 1.615 1.00 0.00 N ATOM 304 CA GLN A 26 -6.903 11.579 1.204 1.00 0.00 C ATOM 305 C GLN A 26 -6.849 11.228 -0.193 1.00 0.00 C ATOM 306 O GLN A 26 -7.711 11.589 -1.006 1.00 0.00 O ATOM 307 CB GLN A 26 -8.124 12.392 1.617 1.00 0.00 C ATOM 308 CG GLN A 26 -8.688 11.971 2.973 1.00 0.00 C ATOM 309 CD GLN A 26 -7.707 12.103 4.128 1.00 0.00 C ATOM 310 OE1 GLN A 26 -7.628 13.143 4.778 1.00 0.00 O ATOM 311 NE2 GLN A 26 -6.968 11.055 4.403 1.00 0.00 N ATOM 0 H GLN A 26 -5.135 11.454 2.210 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.068 10.663 1.772 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.856 13.448 1.653 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.899 12.285 0.858 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.569 12.574 3.190 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.019 10.934 2.910 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.058 10.207 3.844 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.303 11.088 5.176 1.00 0.00 H new ATOM 320 N LYS A 27 -5.803 10.529 -0.506 1.00 0.00 N ATOM 321 CA LYS A 27 -5.611 10.131 -1.879 1.00 0.00 C ATOM 322 C LYS A 27 -5.528 8.668 -2.009 1.00 0.00 C ATOM 323 O LYS A 27 -4.792 8.053 -1.282 1.00 0.00 O ATOM 324 CB LYS A 27 -4.348 10.713 -2.492 1.00 0.00 C ATOM 325 CG LYS A 27 -4.298 12.223 -2.603 1.00 0.00 C ATOM 326 CD LYS A 27 -3.008 12.690 -3.267 1.00 0.00 C ATOM 327 CE LYS A 27 -2.865 12.151 -4.688 1.00 0.00 C ATOM 328 NZ LYS A 27 -1.637 12.648 -5.343 1.00 0.00 N ATOM 0 H LYS A 27 -5.081 10.225 0.147 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.481 10.518 -2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.495 10.384 -1.899 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.224 10.291 -3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.154 12.575 -3.179 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.378 12.665 -1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.986 13.780 -3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.156 12.366 -2.670 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.848 11.061 -4.663 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.735 12.443 -5.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.576 12.260 -6.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.664 13.687 -5.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.806 12.348 -4.795 1.00 0.00 H new ATOM 342 N TRP A 28 -6.291 8.126 -2.933 1.00 0.00 N ATOM 343 CA TRP A 28 -6.180 6.742 -3.320 1.00 0.00 C ATOM 344 C TRP A 28 -5.268 6.691 -4.493 1.00 0.00 C ATOM 345 O TRP A 28 -5.685 6.823 -5.648 1.00 0.00 O ATOM 346 CB TRP A 28 -7.528 6.119 -3.663 1.00 0.00 C ATOM 347 CG TRP A 28 -8.375 5.806 -2.477 1.00 0.00 C ATOM 348 CD1 TRP A 28 -9.365 6.562 -1.945 1.00 0.00 C ATOM 349 CD2 TRP A 28 -8.275 4.637 -1.671 1.00 0.00 C ATOM 350 NE1 TRP A 28 -9.930 5.899 -0.872 1.00 0.00 N ATOM 351 CE2 TRP A 28 -9.260 4.714 -0.683 1.00 0.00 C ATOM 352 CE3 TRP A 28 -7.446 3.534 -1.707 1.00 0.00 C ATOM 353 CZ2 TRP A 28 -9.436 3.700 0.275 1.00 0.00 C ATOM 354 CZ3 TRP A 28 -7.604 2.543 -0.771 1.00 0.00 C ATOM 355 CH2 TRP A 28 -8.587 2.618 0.209 1.00 0.00 C ATOM 0 H TRP A 28 -7.011 8.641 -3.440 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.790 6.162 -2.484 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -8.074 6.799 -4.317 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -7.359 5.202 -4.227 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.667 7.535 -2.305 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.715 6.234 -0.313 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.681 3.452 -2.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -10.205 3.767 1.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -6.949 1.685 -0.796 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.686 1.818 0.927 1.00 0.00 H new ATOM 366 N TYR A 29 -4.033 6.586 -4.196 1.00 0.00 N ATOM 367 CA TYR A 29 -3.002 6.660 -5.163 1.00 0.00 C ATOM 368 C TYR A 29 -2.194 5.355 -5.181 1.00 0.00 C ATOM 369 O TYR A 29 -2.350 4.527 -4.275 1.00 0.00 O ATOM 370 CB TYR A 29 -2.129 7.925 -4.881 1.00 0.00 C ATOM 371 CG TYR A 29 -1.380 8.008 -3.532 1.00 0.00 C ATOM 372 CD1 TYR A 29 -1.305 6.939 -2.621 1.00 0.00 C ATOM 373 CD2 TYR A 29 -0.713 9.172 -3.204 1.00 0.00 C ATOM 374 CE1 TYR A 29 -0.580 7.037 -1.453 1.00 0.00 C ATOM 375 CE2 TYR A 29 -0.005 9.284 -2.050 1.00 0.00 C ATOM 376 CZ TYR A 29 0.079 8.231 -1.182 1.00 0.00 C ATOM 377 OH TYR A 29 0.836 8.375 -0.043 1.00 0.00 O ATOM 0 H TYR A 29 -3.696 6.441 -3.244 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.421 6.769 -6.163 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.390 8.004 -5.678 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.775 8.800 -4.958 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.828 6.020 -2.842 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.755 10.013 -3.881 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.525 6.206 -0.765 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.495 10.212 -1.816 1.00 0.00 H new ATOM 0 HH TYR A 29 0.635 7.644 0.578 1.00 0.00 H new ATOM 387 N PRO A 30 -1.383 5.114 -6.209 1.00 0.00 N ATOM 388 CA PRO A 30 -0.557 3.933 -6.268 1.00 0.00 C ATOM 389 C PRO A 30 0.670 4.042 -5.359 1.00 0.00 C ATOM 390 O PRO A 30 1.617 4.792 -5.636 1.00 0.00 O ATOM 391 CB PRO A 30 -0.137 3.834 -7.746 1.00 0.00 C ATOM 392 CG PRO A 30 -0.899 4.908 -8.451 1.00 0.00 C ATOM 393 CD PRO A 30 -1.224 5.932 -7.411 1.00 0.00 C ATOM 0 HA PRO A 30 -1.093 3.050 -5.920 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.938 3.977 -7.859 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.373 2.852 -8.156 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.306 5.343 -9.256 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.807 4.510 -8.904 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.427 6.667 -7.300 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.134 6.482 -7.652 1.00 0.00 H new ATOM 401 N SER A 31 0.616 3.332 -4.274 1.00 0.00 N ATOM 402 CA SER A 31 1.697 3.235 -3.335 1.00 0.00 C ATOM 403 C SER A 31 2.496 1.999 -3.752 1.00 0.00 C ATOM 404 O SER A 31 2.051 1.270 -4.637 1.00 0.00 O ATOM 405 CB SER A 31 1.104 3.063 -1.926 1.00 0.00 C ATOM 406 OG SER A 31 2.090 3.079 -0.916 1.00 0.00 O ATOM 0 H SER A 31 -0.204 2.787 -4.008 1.00 0.00 H new ATOM 0 HA SER A 31 2.336 4.118 -3.324 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.385 3.860 -1.739 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.556 2.122 -1.879 1.00 0.00 H new ATOM 0 HG SER A 31 2.931 3.419 -1.286 1.00 0.00 H new ATOM 412 N ARG A 32 3.638 1.738 -3.166 1.00 0.00 N ATOM 413 CA ARG A 32 4.389 0.545 -3.590 1.00 0.00 C ATOM 414 C ARG A 32 4.590 -0.451 -2.480 1.00 0.00 C ATOM 415 O ARG A 32 4.797 -0.076 -1.347 1.00 0.00 O ATOM 416 CB ARG A 32 5.737 0.899 -4.174 1.00 0.00 C ATOM 417 CG ARG A 32 5.684 1.583 -5.502 1.00 0.00 C ATOM 418 CD ARG A 32 7.060 1.721 -6.086 1.00 0.00 C ATOM 419 NE ARG A 32 7.091 2.526 -7.294 1.00 0.00 N ATOM 420 CZ ARG A 32 8.096 2.517 -8.174 1.00 0.00 C ATOM 421 NH1 ARG A 32 9.096 1.642 -8.045 1.00 0.00 N ATOM 422 NH2 ARG A 32 8.093 3.361 -9.185 1.00 0.00 N ATOM 0 H ARG A 32 4.067 2.295 -2.427 1.00 0.00 H new ATOM 0 HA ARG A 32 3.769 0.084 -4.359 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.265 1.543 -3.470 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.325 -0.013 -4.274 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.050 1.015 -6.183 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.231 2.568 -5.391 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.720 2.168 -5.342 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.455 0.729 -6.308 1.00 0.00 H new ATOM 0 HE ARG A 32 6.296 3.136 -7.482 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.095 0.977 -7.272 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.861 1.639 -8.719 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.323 4.021 -9.296 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.860 3.354 -9.857 1.00 0.00 H new ATOM 436 N ILE A 33 4.541 -1.718 -2.821 1.00 0.00 N ATOM 437 CA ILE A 33 4.794 -2.782 -1.872 1.00 0.00 C ATOM 438 C ILE A 33 6.292 -3.014 -1.844 1.00 0.00 C ATOM 439 O ILE A 33 6.885 -3.318 -2.877 1.00 0.00 O ATOM 440 CB ILE A 33 4.103 -4.110 -2.295 1.00 0.00 C ATOM 441 CG1 ILE A 33 2.605 -3.897 -2.536 1.00 0.00 C ATOM 442 CG2 ILE A 33 4.317 -5.166 -1.219 1.00 0.00 C ATOM 443 CD1 ILE A 33 1.874 -5.116 -3.059 1.00 0.00 C ATOM 0 H ILE A 33 4.325 -2.042 -3.764 1.00 0.00 H new ATOM 0 HA ILE A 33 4.399 -2.491 -0.899 1.00 0.00 H new ATOM 0 HB ILE A 33 4.550 -4.450 -3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.140 -3.584 -1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.477 -3.080 -3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.832 -6.095 -1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.385 -5.341 -1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.888 -4.820 -0.279 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.820 -4.875 -3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.308 -5.420 -4.012 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.967 -5.931 -2.342 1.00 0.00 H new ATOM 455 N GLU A 34 6.907 -2.826 -0.717 1.00 0.00 N ATOM 456 CA GLU A 34 8.339 -2.999 -0.623 1.00 0.00 C ATOM 457 C GLU A 34 8.673 -4.316 0.086 1.00 0.00 C ATOM 458 O GLU A 34 9.728 -4.908 -0.135 1.00 0.00 O ATOM 459 CB GLU A 34 8.952 -1.840 0.147 1.00 0.00 C ATOM 460 CG GLU A 34 10.435 -1.672 -0.085 1.00 0.00 C ATOM 461 CD GLU A 34 10.721 -1.212 -1.481 1.00 0.00 C ATOM 462 OE1 GLU A 34 10.865 -2.047 -2.386 1.00 0.00 O ATOM 463 OE2 GLU A 34 10.761 0.009 -1.705 1.00 0.00 O ATOM 0 H GLU A 34 6.449 -2.553 0.153 1.00 0.00 H new ATOM 0 HA GLU A 34 8.751 -3.024 -1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.443 -0.919 -0.135 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.775 -1.989 1.212 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.837 -0.951 0.627 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.943 -2.619 0.099 1.00 0.00 H new ATOM 470 N LYS A 35 7.772 -4.760 0.940 1.00 0.00 N ATOM 471 CA LYS A 35 7.955 -5.985 1.712 1.00 0.00 C ATOM 472 C LYS A 35 6.573 -6.493 2.064 1.00 0.00 C ATOM 473 O LYS A 35 5.646 -5.687 2.155 1.00 0.00 O ATOM 474 CB LYS A 35 8.762 -5.680 2.998 1.00 0.00 C ATOM 475 CG LYS A 35 9.203 -6.912 3.786 1.00 0.00 C ATOM 476 CD LYS A 35 10.018 -6.554 5.029 1.00 0.00 C ATOM 477 CE LYS A 35 11.292 -5.777 4.701 1.00 0.00 C ATOM 478 NZ LYS A 35 12.205 -6.522 3.805 1.00 0.00 N ATOM 0 H LYS A 35 6.888 -4.284 1.122 1.00 0.00 H new ATOM 0 HA LYS A 35 8.507 -6.733 1.142 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.647 -5.104 2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.157 -5.048 3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.323 -7.482 4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.797 -7.558 3.140 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.401 -5.961 5.704 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.283 -7.469 5.560 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.024 -4.830 4.233 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.815 -5.538 5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.081 -5.977 3.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.432 -7.444 4.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.744 -6.669 2.884 1.00 0.00 H new ATOM 492 N ILE A 36 6.408 -7.788 2.241 1.00 0.00 N ATOM 493 CA ILE A 36 5.089 -8.344 2.510 1.00 0.00 C ATOM 494 C ILE A 36 5.121 -9.235 3.751 1.00 0.00 C ATOM 495 O ILE A 36 5.980 -10.104 3.879 1.00 0.00 O ATOM 496 CB ILE A 36 4.566 -9.193 1.307 1.00 0.00 C ATOM 497 CG1 ILE A 36 4.663 -8.396 0.002 1.00 0.00 C ATOM 498 CG2 ILE A 36 3.118 -9.623 1.548 1.00 0.00 C ATOM 499 CD1 ILE A 36 4.180 -9.133 -1.222 1.00 0.00 C ATOM 0 H ILE A 36 7.162 -8.474 2.205 1.00 0.00 H new ATOM 0 HA ILE A 36 4.418 -7.500 2.671 1.00 0.00 H new ATOM 0 HB ILE A 36 5.190 -10.083 1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.085 -7.478 0.109 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.701 -8.103 -0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.768 -10.214 0.701 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.063 -10.223 2.456 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.490 -8.739 1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.286 -8.493 -2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.773 -10.037 -1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.132 -9.403 -1.094 1.00 0.00 H new ATOM 511 N ASP A 37 4.191 -9.020 4.645 1.00 0.00 N ATOM 512 CA ASP A 37 4.053 -9.842 5.829 1.00 0.00 C ATOM 513 C ASP A 37 2.710 -10.501 5.765 1.00 0.00 C ATOM 514 O ASP A 37 1.760 -9.981 6.251 1.00 0.00 O ATOM 515 CB ASP A 37 4.120 -9.028 7.121 1.00 0.00 C ATOM 516 CG ASP A 37 4.134 -9.912 8.332 1.00 0.00 C ATOM 517 OD1 ASP A 37 5.218 -10.378 8.740 1.00 0.00 O ATOM 518 OD2 ASP A 37 3.068 -10.121 8.918 1.00 0.00 O ATOM 0 H ASP A 37 3.504 -8.269 4.576 1.00 0.00 H new ATOM 0 HA ASP A 37 4.875 -10.558 5.845 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.015 -8.406 7.114 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.265 -8.354 7.172 1.00 0.00 H new ATOM 523 N TYR A 38 2.638 -11.618 5.157 1.00 0.00 N ATOM 524 CA TYR A 38 1.381 -12.300 4.935 1.00 0.00 C ATOM 525 C TYR A 38 0.980 -13.133 6.100 1.00 0.00 C ATOM 526 O TYR A 38 -0.137 -13.641 6.154 1.00 0.00 O ATOM 527 CB TYR A 38 1.396 -13.143 3.670 1.00 0.00 C ATOM 528 CG TYR A 38 2.719 -13.781 3.314 1.00 0.00 C ATOM 529 CD1 TYR A 38 3.108 -14.980 3.878 1.00 0.00 C ATOM 530 CD2 TYR A 38 3.575 -13.179 2.400 1.00 0.00 C ATOM 531 CE1 TYR A 38 4.309 -15.562 3.546 1.00 0.00 C ATOM 532 CE2 TYR A 38 4.777 -13.757 2.061 1.00 0.00 C ATOM 533 CZ TYR A 38 5.140 -14.953 2.641 1.00 0.00 C ATOM 534 OH TYR A 38 6.338 -15.551 2.311 1.00 0.00 O ATOM 0 H TYR A 38 3.450 -12.111 4.785 1.00 0.00 H new ATOM 0 HA TYR A 38 0.637 -11.514 4.807 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.651 -13.932 3.774 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.082 -12.516 2.836 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.459 -15.468 4.590 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.292 -12.240 1.947 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.598 -16.499 3.998 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.430 -13.277 1.347 1.00 0.00 H new ATOM 0 HH TYR A 38 6.811 -14.996 1.657 1.00 0.00 H new ATOM 544 N GLU A 39 1.877 -13.284 7.032 1.00 0.00 N ATOM 545 CA GLU A 39 1.575 -14.030 8.201 1.00 0.00 C ATOM 546 C GLU A 39 0.553 -13.255 9.020 1.00 0.00 C ATOM 547 O GLU A 39 -0.435 -13.816 9.490 1.00 0.00 O ATOM 548 CB GLU A 39 2.818 -14.319 8.993 1.00 0.00 C ATOM 549 CG GLU A 39 3.930 -14.939 8.170 1.00 0.00 C ATOM 550 CD GLU A 39 5.107 -15.361 9.002 1.00 0.00 C ATOM 551 OE1 GLU A 39 5.832 -14.498 9.516 1.00 0.00 O ATOM 552 OE2 GLU A 39 5.325 -16.577 9.165 1.00 0.00 O ATOM 0 H GLU A 39 2.820 -12.898 6.997 1.00 0.00 H new ATOM 0 HA GLU A 39 1.152 -14.996 7.924 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.180 -13.392 9.437 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.568 -14.990 9.815 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.540 -15.805 7.636 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.261 -14.223 7.418 1.00 0.00 H new ATOM 559 N GLU A 40 0.772 -11.961 9.152 1.00 0.00 N ATOM 560 CA GLU A 40 -0.209 -11.112 9.776 1.00 0.00 C ATOM 561 C GLU A 40 -1.138 -10.591 8.698 1.00 0.00 C ATOM 562 O GLU A 40 -2.338 -10.379 8.912 1.00 0.00 O ATOM 563 CB GLU A 40 0.448 -9.954 10.537 1.00 0.00 C ATOM 564 CG GLU A 40 -0.549 -8.976 11.132 1.00 0.00 C ATOM 565 CD GLU A 40 -0.006 -8.119 12.254 1.00 0.00 C ATOM 566 OE1 GLU A 40 1.226 -8.078 12.455 1.00 0.00 O ATOM 567 OE2 GLU A 40 -0.806 -7.461 12.947 1.00 0.00 O ATOM 0 H GLU A 40 1.616 -11.483 8.836 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.772 -11.689 10.510 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.067 -10.360 11.337 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.113 -9.416 9.861 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.913 -8.323 10.339 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.407 -9.535 11.504 1.00 0.00 H new ATOM 574 N GLY A 41 -0.569 -10.430 7.545 1.00 0.00 N ATOM 575 CA GLY A 41 -1.265 -9.940 6.410 1.00 0.00 C ATOM 576 C GLY A 41 -1.175 -8.449 6.351 1.00 0.00 C ATOM 577 O GLY A 41 -2.170 -7.734 6.419 1.00 0.00 O ATOM 0 H GLY A 41 0.413 -10.642 7.369 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.845 -10.373 5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.310 -10.247 6.455 1.00 0.00 H new ATOM 581 N LYS A 42 0.035 -8.004 6.269 1.00 0.00 N ATOM 582 CA LYS A 42 0.397 -6.637 6.198 1.00 0.00 C ATOM 583 C LYS A 42 1.398 -6.531 5.072 1.00 0.00 C ATOM 584 O LYS A 42 1.919 -7.547 4.609 1.00 0.00 O ATOM 585 CB LYS A 42 1.164 -6.206 7.467 1.00 0.00 C ATOM 586 CG LYS A 42 0.535 -6.529 8.803 1.00 0.00 C ATOM 587 CD LYS A 42 1.335 -5.887 9.938 1.00 0.00 C ATOM 588 CE LYS A 42 2.784 -6.406 10.031 1.00 0.00 C ATOM 589 NZ LYS A 42 2.882 -7.827 10.449 1.00 0.00 N ATOM 0 H LYS A 42 0.842 -8.627 6.249 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.498 -6.027 6.073 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.150 -6.669 7.438 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.317 -5.128 7.418 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.493 -6.168 8.825 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.497 -7.609 8.942 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.352 -4.806 9.796 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.827 -6.076 10.884 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.266 -6.288 9.061 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.337 -5.789 10.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.820 -8.004 10.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.148 -8.032 11.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.747 -8.442 9.622 1.00 0.00 H new ATOM 603 N MET A 43 1.674 -5.366 4.648 1.00 0.00 N ATOM 604 CA MET A 43 2.751 -5.144 3.745 1.00 0.00 C ATOM 605 C MET A 43 3.363 -3.808 4.037 1.00 0.00 C ATOM 606 O MET A 43 2.696 -2.903 4.590 1.00 0.00 O ATOM 607 CB MET A 43 2.375 -5.291 2.241 1.00 0.00 C ATOM 608 CG MET A 43 1.404 -4.268 1.672 1.00 0.00 C ATOM 609 SD MET A 43 -0.253 -4.406 2.340 1.00 0.00 S ATOM 610 CE MET A 43 -1.085 -3.121 1.427 1.00 0.00 C ATOM 0 H MET A 43 1.162 -4.524 4.913 1.00 0.00 H new ATOM 0 HA MET A 43 3.480 -5.937 3.913 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.294 -5.249 1.656 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.948 -6.283 2.093 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.785 -3.267 1.872 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.361 -4.383 0.589 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.160 -3.193 1.595 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.730 -2.147 1.764 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.875 -3.236 0.364 1.00 0.00 H new ATOM 620 N LEU A 44 4.626 -3.703 3.749 1.00 0.00 N ATOM 621 CA LEU A 44 5.349 -2.490 3.920 1.00 0.00 C ATOM 622 C LEU A 44 5.143 -1.724 2.658 1.00 0.00 C ATOM 623 O LEU A 44 5.658 -2.103 1.595 1.00 0.00 O ATOM 624 CB LEU A 44 6.861 -2.782 4.180 1.00 0.00 C ATOM 625 CG LEU A 44 7.809 -1.600 4.584 1.00 0.00 C ATOM 626 CD1 LEU A 44 8.020 -0.596 3.472 1.00 0.00 C ATOM 627 CD2 LEU A 44 7.317 -0.896 5.833 1.00 0.00 C ATOM 0 H LEU A 44 5.187 -4.473 3.383 1.00 0.00 H new ATOM 0 HA LEU A 44 5.002 -1.923 4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.920 -3.534 4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.268 -3.235 3.276 1.00 0.00 H new ATOM 0 HG LEU A 44 8.776 -2.058 4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.685 0.195 3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.466 -1.095 2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.061 -0.164 3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.998 -0.083 6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.320 -0.493 5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.279 -1.606 6.660 1.00 0.00 H new ATOM 639 N VAL A 45 4.347 -0.729 2.739 1.00 0.00 N ATOM 640 CA VAL A 45 4.063 0.084 1.618 1.00 0.00 C ATOM 641 C VAL A 45 4.988 1.259 1.647 1.00 0.00 C ATOM 642 O VAL A 45 5.452 1.668 2.716 1.00 0.00 O ATOM 643 CB VAL A 45 2.597 0.618 1.624 1.00 0.00 C ATOM 644 CG1 VAL A 45 1.608 -0.494 1.620 1.00 0.00 C ATOM 645 CG2 VAL A 45 2.335 1.489 2.818 1.00 0.00 C ATOM 0 H VAL A 45 3.867 -0.451 3.595 1.00 0.00 H new ATOM 0 HA VAL A 45 4.195 -0.523 0.722 1.00 0.00 H new ATOM 0 HB VAL A 45 2.481 1.206 0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.598 -0.083 1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.748 -1.102 0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.752 -1.112 2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.305 1.844 2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.497 0.914 3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.013 2.342 2.802 1.00 0.00 H new ATOM 655 N HIS A 46 5.308 1.762 0.519 1.00 0.00 N ATOM 656 CA HIS A 46 5.980 2.979 0.495 1.00 0.00 C ATOM 657 C HIS A 46 5.125 3.984 -0.201 1.00 0.00 C ATOM 658 O HIS A 46 4.863 3.876 -1.417 1.00 0.00 O ATOM 659 CB HIS A 46 7.474 2.930 0.011 1.00 0.00 C ATOM 660 CG HIS A 46 7.812 2.790 -1.438 1.00 0.00 C ATOM 661 ND1 HIS A 46 8.570 1.750 -1.916 1.00 0.00 N ATOM 662 CD2 HIS A 46 7.673 3.650 -2.471 1.00 0.00 C ATOM 663 CE1 HIS A 46 8.876 1.978 -3.159 1.00 0.00 C ATOM 664 NE2 HIS A 46 8.349 3.125 -3.524 1.00 0.00 N ATOM 0 H HIS A 46 5.113 1.345 -0.391 1.00 0.00 H new ATOM 0 HA HIS A 46 6.124 3.296 1.528 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.953 3.843 0.363 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.950 2.099 0.531 1.00 0.00 H new ATOM 0 HD1 HIS A 46 8.849 0.928 -1.380 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.126 4.581 -2.461 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.467 1.330 -3.789 1.00 0.00 H new ATOM 673 N PHE A 47 4.594 4.872 0.598 1.00 0.00 N ATOM 674 CA PHE A 47 3.817 5.980 0.150 1.00 0.00 C ATOM 675 C PHE A 47 4.814 6.980 -0.403 1.00 0.00 C ATOM 676 O PHE A 47 6.004 6.944 -0.038 1.00 0.00 O ATOM 677 CB PHE A 47 3.019 6.600 1.334 1.00 0.00 C ATOM 678 CG PHE A 47 1.935 5.730 1.932 1.00 0.00 C ATOM 679 CD1 PHE A 47 0.708 5.610 1.313 1.00 0.00 C ATOM 680 CD2 PHE A 47 2.120 5.089 3.133 1.00 0.00 C ATOM 681 CE1 PHE A 47 -0.302 4.874 1.871 1.00 0.00 C ATOM 682 CE2 PHE A 47 1.109 4.343 3.695 1.00 0.00 C ATOM 683 CZ PHE A 47 -0.105 4.239 3.061 1.00 0.00 C ATOM 0 H PHE A 47 4.699 4.835 1.612 1.00 0.00 H new ATOM 0 HA PHE A 47 3.086 5.683 -0.602 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.724 6.862 2.123 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.564 7.529 0.992 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.541 6.107 0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.069 5.171 3.642 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.255 4.796 1.369 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.271 3.839 4.636 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.900 3.657 3.503 1.00 0.00 H new ATOM 693 N GLU A 48 4.382 7.843 -1.256 1.00 0.00 N ATOM 694 CA GLU A 48 5.285 8.777 -1.882 1.00 0.00 C ATOM 695 C GLU A 48 5.589 9.986 -0.987 1.00 0.00 C ATOM 696 O GLU A 48 5.152 11.100 -1.259 1.00 0.00 O ATOM 697 CB GLU A 48 4.782 9.168 -3.274 1.00 0.00 C ATOM 698 CG GLU A 48 3.334 9.627 -3.300 1.00 0.00 C ATOM 699 CD GLU A 48 2.852 9.897 -4.687 1.00 0.00 C ATOM 700 OE1 GLU A 48 3.031 11.022 -5.188 1.00 0.00 O ATOM 701 OE2 GLU A 48 2.307 8.994 -5.322 1.00 0.00 O ATOM 0 H GLU A 48 3.408 7.930 -1.544 1.00 0.00 H new ATOM 0 HA GLU A 48 6.243 8.276 -2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.413 9.966 -3.666 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.894 8.315 -3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.705 8.865 -2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.230 10.530 -2.699 1.00 0.00 H new ATOM 708 N ARG A 49 6.315 9.711 0.108 1.00 0.00 N ATOM 709 CA ARG A 49 6.731 10.702 1.117 1.00 0.00 C ATOM 710 C ARG A 49 5.531 11.364 1.784 1.00 0.00 C ATOM 711 O ARG A 49 4.868 12.220 1.202 1.00 0.00 O ATOM 712 CB ARG A 49 7.700 11.731 0.534 1.00 0.00 C ATOM 713 CG ARG A 49 9.021 11.120 0.090 1.00 0.00 C ATOM 714 CD ARG A 49 9.961 12.165 -0.467 1.00 0.00 C ATOM 715 NE ARG A 49 10.292 13.205 0.515 1.00 0.00 N ATOM 716 CZ ARG A 49 10.762 14.421 0.204 1.00 0.00 C ATOM 717 NH1 ARG A 49 10.932 14.771 -1.076 1.00 0.00 N ATOM 718 NH2 ARG A 49 11.051 15.288 1.169 1.00 0.00 N ATOM 0 H ARG A 49 6.638 8.768 0.323 1.00 0.00 H new ATOM 0 HA ARG A 49 7.271 10.163 1.895 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.230 12.223 -0.317 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.895 12.501 1.280 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.493 10.620 0.936 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.834 10.358 -0.667 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.879 11.682 -0.803 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.506 12.628 -1.343 1.00 0.00 H new ATOM 0 HE ARG A 49 10.155 12.987 1.502 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.704 14.111 -1.820 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.290 15.697 -1.308 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.915 15.028 2.146 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.409 16.214 0.933 1.00 0.00 H new ATOM 732 N TRP A 50 5.259 10.981 3.005 1.00 0.00 N ATOM 733 CA TRP A 50 4.058 11.434 3.670 1.00 0.00 C ATOM 734 C TRP A 50 4.315 11.609 5.175 1.00 0.00 C ATOM 735 O TRP A 50 5.470 11.669 5.602 1.00 0.00 O ATOM 736 CB TRP A 50 2.919 10.411 3.418 1.00 0.00 C ATOM 737 CG TRP A 50 3.019 9.130 4.217 1.00 0.00 C ATOM 738 CD1 TRP A 50 4.124 8.357 4.457 1.00 0.00 C ATOM 739 CD2 TRP A 50 1.940 8.488 4.870 1.00 0.00 C ATOM 740 NE1 TRP A 50 3.793 7.309 5.270 1.00 0.00 N ATOM 741 CE2 TRP A 50 2.451 7.355 5.526 1.00 0.00 C ATOM 742 CE3 TRP A 50 0.591 8.771 4.970 1.00 0.00 C ATOM 743 CZ2 TRP A 50 1.646 6.511 6.279 1.00 0.00 C ATOM 744 CZ3 TRP A 50 -0.205 7.937 5.697 1.00 0.00 C ATOM 745 CH2 TRP A 50 0.319 6.816 6.349 1.00 0.00 C ATOM 0 H TRP A 50 5.848 10.359 3.559 1.00 0.00 H new ATOM 0 HA TRP A 50 3.760 12.402 3.268 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.966 10.889 3.644 1.00 0.00 H new ATOM 0 HB3 TRP A 50 2.906 10.159 2.358 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.111 8.547 4.062 1.00 0.00 H new ATOM 0 HE1 TRP A 50 4.441 6.607 5.627 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.174 9.639 4.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 2.053 5.650 6.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -1.262 8.146 5.771 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.341 6.179 6.919 1.00 0.00 H new ATOM 756 N SER A 51 3.233 11.677 5.945 1.00 0.00 N ATOM 757 CA SER A 51 3.224 11.842 7.393 1.00 0.00 C ATOM 758 C SER A 51 4.182 10.886 8.140 1.00 0.00 C ATOM 759 O SER A 51 4.847 11.292 9.081 1.00 0.00 O ATOM 760 CB SER A 51 1.804 11.607 7.859 1.00 0.00 C ATOM 761 OG SER A 51 0.915 12.356 7.053 1.00 0.00 O ATOM 0 H SER A 51 2.292 11.615 5.555 1.00 0.00 H new ATOM 0 HA SER A 51 3.578 12.847 7.622 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.561 10.546 7.799 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.699 11.899 8.904 1.00 0.00 H new ATOM 0 HG SER A 51 -0.009 12.126 7.285 1.00 0.00 H new ATOM 767 N HIS A 52 4.249 9.629 7.734 1.00 0.00 N ATOM 768 CA HIS A 52 5.126 8.676 8.411 1.00 0.00 C ATOM 769 C HIS A 52 6.303 8.326 7.512 1.00 0.00 C ATOM 770 O HIS A 52 6.351 7.230 6.951 1.00 0.00 O ATOM 771 CB HIS A 52 4.355 7.399 8.837 1.00 0.00 C ATOM 772 CG HIS A 52 5.166 6.389 9.625 1.00 0.00 C ATOM 773 ND1 HIS A 52 5.686 5.243 9.073 1.00 0.00 N ATOM 774 CD2 HIS A 52 5.510 6.353 10.933 1.00 0.00 C ATOM 775 CE1 HIS A 52 6.298 4.555 10.002 1.00 0.00 C ATOM 776 NE2 HIS A 52 6.215 5.202 11.136 1.00 0.00 N ATOM 0 H HIS A 52 3.718 9.245 6.952 1.00 0.00 H new ATOM 0 HA HIS A 52 5.504 9.144 9.320 1.00 0.00 H new ATOM 0 HB2 HIS A 52 3.494 7.696 9.436 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.968 6.912 7.942 1.00 0.00 H new ATOM 0 HD1 HIS A 52 5.607 4.972 8.093 1.00 0.00 H new ATOM 0 HD2 HIS A 52 5.271 7.097 11.678 1.00 0.00 H new ATOM 0 HE1 HIS A 52 6.792 3.606 9.856 1.00 0.00 H new ATOM 785 N ARG A 53 7.192 9.296 7.332 1.00 0.00 N ATOM 786 CA ARG A 53 8.406 9.192 6.504 1.00 0.00 C ATOM 787 C ARG A 53 8.043 8.962 5.021 1.00 0.00 C ATOM 788 O ARG A 53 8.034 9.905 4.218 1.00 0.00 O ATOM 789 CB ARG A 53 9.391 8.122 7.065 1.00 0.00 C ATOM 790 CG ARG A 53 10.751 8.106 6.375 1.00 0.00 C ATOM 791 CD ARG A 53 11.781 7.230 7.095 1.00 0.00 C ATOM 792 NE ARG A 53 11.471 5.786 7.082 1.00 0.00 N ATOM 793 CZ ARG A 53 12.089 4.866 7.850 1.00 0.00 C ATOM 794 NH1 ARG A 53 12.981 5.247 8.758 1.00 0.00 N ATOM 795 NH2 ARG A 53 11.779 3.579 7.725 1.00 0.00 N ATOM 0 H ARG A 53 7.091 10.212 7.770 1.00 0.00 H new ATOM 0 HA ARG A 53 8.937 10.143 6.552 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.538 8.302 8.130 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.935 7.137 6.968 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.629 7.747 5.353 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.131 9.126 6.311 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.756 7.384 6.633 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.862 7.562 8.130 1.00 0.00 H new ATOM 0 HE ARG A 53 10.740 5.463 6.449 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.199 6.237 8.875 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.448 4.550 9.338 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.074 3.288 7.048 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.247 2.883 8.306 1.00 0.00 H new ATOM 809 N TYR A 54 7.683 7.741 4.699 1.00 0.00 N ATOM 810 CA TYR A 54 7.229 7.344 3.381 1.00 0.00 C ATOM 811 C TYR A 54 6.721 5.922 3.459 1.00 0.00 C ATOM 812 O TYR A 54 5.673 5.595 2.955 1.00 0.00 O ATOM 813 CB TYR A 54 8.313 7.515 2.260 1.00 0.00 C ATOM 814 CG TYR A 54 9.582 6.687 2.396 1.00 0.00 C ATOM 815 CD1 TYR A 54 10.648 7.138 3.152 1.00 0.00 C ATOM 816 CD2 TYR A 54 9.711 5.461 1.753 1.00 0.00 C ATOM 817 CE1 TYR A 54 11.805 6.396 3.272 1.00 0.00 C ATOM 818 CE2 TYR A 54 10.864 4.714 1.866 1.00 0.00 C ATOM 819 CZ TYR A 54 11.909 5.189 2.630 1.00 0.00 C ATOM 820 OH TYR A 54 13.065 4.449 2.748 1.00 0.00 O ATOM 0 H TYR A 54 7.698 6.970 5.367 1.00 0.00 H new ATOM 0 HA TYR A 54 6.424 8.016 3.084 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.852 7.273 1.303 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.597 8.567 2.221 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.574 8.089 3.658 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.893 5.087 1.154 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.626 6.765 3.869 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.948 3.764 1.360 1.00 0.00 H new ATOM 0 HH TYR A 54 12.977 3.620 2.233 1.00 0.00 H new ATOM 830 N ASP A 55 7.435 5.110 4.170 1.00 0.00 N ATOM 831 CA ASP A 55 7.121 3.711 4.309 1.00 0.00 C ATOM 832 C ASP A 55 6.248 3.479 5.529 1.00 0.00 C ATOM 833 O ASP A 55 6.294 4.256 6.501 1.00 0.00 O ATOM 834 CB ASP A 55 8.419 2.902 4.406 1.00 0.00 C ATOM 835 CG ASP A 55 9.266 3.262 5.608 1.00 0.00 C ATOM 836 OD1 ASP A 55 9.550 4.467 5.829 1.00 0.00 O ATOM 837 OD2 ASP A 55 9.717 2.343 6.333 1.00 0.00 O ATOM 0 H ASP A 55 8.269 5.398 4.682 1.00 0.00 H new ATOM 0 HA ASP A 55 6.564 3.381 3.432 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.174 1.841 4.449 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.004 3.058 3.499 1.00 0.00 H new ATOM 842 N GLU A 56 5.430 2.448 5.470 1.00 0.00 N ATOM 843 CA GLU A 56 4.540 2.102 6.557 1.00 0.00 C ATOM 844 C GLU A 56 4.010 0.680 6.391 1.00 0.00 C ATOM 845 O GLU A 56 3.878 0.186 5.279 1.00 0.00 O ATOM 846 CB GLU A 56 3.388 3.139 6.661 1.00 0.00 C ATOM 847 CG GLU A 56 2.371 2.872 7.766 1.00 0.00 C ATOM 848 CD GLU A 56 2.980 2.859 9.153 1.00 0.00 C ATOM 849 OE1 GLU A 56 3.584 1.845 9.553 1.00 0.00 O ATOM 850 OE2 GLU A 56 2.841 3.856 9.881 1.00 0.00 O ATOM 0 H GLU A 56 5.364 1.826 4.665 1.00 0.00 H new ATOM 0 HA GLU A 56 5.099 2.131 7.492 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.822 4.126 6.820 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.863 3.172 5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.593 3.635 7.726 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.887 1.913 7.581 1.00 0.00 H new ATOM 857 N TRP A 57 3.753 0.028 7.496 1.00 0.00 N ATOM 858 CA TRP A 57 3.187 -1.291 7.494 1.00 0.00 C ATOM 859 C TRP A 57 1.719 -1.177 7.655 1.00 0.00 C ATOM 860 O TRP A 57 1.244 -0.640 8.664 1.00 0.00 O ATOM 861 CB TRP A 57 3.686 -2.142 8.653 1.00 0.00 C ATOM 862 CG TRP A 57 5.102 -2.580 8.568 1.00 0.00 C ATOM 863 CD1 TRP A 57 6.183 -1.988 9.148 1.00 0.00 C ATOM 864 CD2 TRP A 57 5.590 -3.722 7.868 1.00 0.00 C ATOM 865 NE1 TRP A 57 7.317 -2.700 8.851 1.00 0.00 N ATOM 866 CE2 TRP A 57 6.977 -3.767 8.057 1.00 0.00 C ATOM 867 CE3 TRP A 57 4.982 -4.712 7.091 1.00 0.00 C ATOM 868 CZ2 TRP A 57 7.768 -4.764 7.501 1.00 0.00 C ATOM 869 CZ3 TRP A 57 5.768 -5.695 6.538 1.00 0.00 C ATOM 870 CH2 TRP A 57 7.146 -5.715 6.746 1.00 0.00 C ATOM 0 H TRP A 57 3.933 0.403 8.428 1.00 0.00 H new ATOM 0 HA TRP A 57 3.477 -1.762 6.555 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.554 -1.578 9.577 1.00 0.00 H new ATOM 0 HB3 TRP A 57 3.055 -3.028 8.727 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.152 -1.093 9.751 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.260 -2.474 9.168 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.914 -4.705 6.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 8.836 -4.786 7.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.311 -6.464 5.933 1.00 0.00 H new ATOM 0 HH2 TRP A 57 7.735 -6.502 6.299 1.00 0.00 H new ATOM 881 N ILE A 58 0.983 -1.630 6.709 1.00 0.00 N ATOM 882 CA ILE A 58 -0.440 -1.643 6.875 1.00 0.00 C ATOM 883 C ILE A 58 -0.933 -2.964 6.341 1.00 0.00 C ATOM 884 O ILE A 58 -0.151 -3.714 5.794 1.00 0.00 O ATOM 885 CB ILE A 58 -1.187 -0.451 6.183 1.00 0.00 C ATOM 886 CG1 ILE A 58 -0.317 0.809 6.095 1.00 0.00 C ATOM 887 CG2 ILE A 58 -2.430 -0.099 7.012 1.00 0.00 C ATOM 888 CD1 ILE A 58 -1.033 1.991 5.488 1.00 0.00 C ATOM 0 H ILE A 58 1.326 -1.994 5.820 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.661 -1.519 7.935 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.443 -0.769 5.172 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.026 1.076 7.095 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.571 0.588 5.502 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.959 0.729 6.541 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.089 -0.966 7.066 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.126 0.190 8.018 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.359 2.847 5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.352 1.743 4.476 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.905 2.238 6.093 1.00 0.00 H new ATOM 900 N TYR A 59 -2.177 -3.237 6.517 1.00 0.00 N ATOM 901 CA TYR A 59 -2.784 -4.471 6.104 1.00 0.00 C ATOM 902 C TYR A 59 -3.282 -4.317 4.690 1.00 0.00 C ATOM 903 O TYR A 59 -2.954 -3.341 4.027 1.00 0.00 O ATOM 904 CB TYR A 59 -3.956 -4.798 7.038 1.00 0.00 C ATOM 905 CG TYR A 59 -3.574 -4.980 8.492 1.00 0.00 C ATOM 906 CD1 TYR A 59 -3.460 -3.888 9.348 1.00 0.00 C ATOM 907 CD2 TYR A 59 -3.329 -6.240 9.008 1.00 0.00 C ATOM 908 CE1 TYR A 59 -3.113 -4.056 10.671 1.00 0.00 C ATOM 909 CE2 TYR A 59 -2.983 -6.414 10.328 1.00 0.00 C ATOM 910 CZ TYR A 59 -2.876 -5.321 11.155 1.00 0.00 C ATOM 911 OH TYR A 59 -2.524 -5.495 12.476 1.00 0.00 O ATOM 0 H TYR A 59 -2.829 -2.593 6.966 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.057 -5.281 6.149 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.693 -3.998 6.967 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.440 -5.709 6.687 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.646 -2.894 8.969 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.411 -7.102 8.363 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.028 -3.200 11.323 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.796 -7.406 10.713 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.727 -6.063 12.530 1.00 0.00 H new ATOM 921 N TRP A 60 -4.078 -5.258 4.237 1.00 0.00 N ATOM 922 CA TRP A 60 -4.681 -5.185 2.918 1.00 0.00 C ATOM 923 C TRP A 60 -5.854 -4.176 3.016 1.00 0.00 C ATOM 924 O TRP A 60 -5.749 -3.150 3.705 1.00 0.00 O ATOM 925 CB TRP A 60 -5.214 -6.584 2.516 1.00 0.00 C ATOM 926 CG TRP A 60 -4.310 -7.739 2.888 1.00 0.00 C ATOM 927 CD1 TRP A 60 -4.623 -8.748 3.741 1.00 0.00 C ATOM 928 CD2 TRP A 60 -2.954 -7.991 2.455 1.00 0.00 C ATOM 929 NE1 TRP A 60 -3.571 -9.613 3.867 1.00 0.00 N ATOM 930 CE2 TRP A 60 -2.531 -9.175 3.097 1.00 0.00 C ATOM 931 CE3 TRP A 60 -2.062 -7.342 1.599 1.00 0.00 C ATOM 932 CZ2 TRP A 60 -1.260 -9.719 2.912 1.00 0.00 C ATOM 933 CZ3 TRP A 60 -0.800 -7.885 1.417 1.00 0.00 C ATOM 934 CH2 TRP A 60 -0.411 -9.061 2.073 1.00 0.00 C ATOM 0 H TRP A 60 -4.327 -6.093 4.766 1.00 0.00 H new ATOM 0 HA TRP A 60 -3.958 -4.866 2.167 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -6.186 -6.736 2.986 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -5.375 -6.600 1.438 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -5.570 -8.853 4.249 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -3.564 -10.453 4.445 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.350 -6.435 1.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -0.960 -10.627 3.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -0.102 -7.392 0.756 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.582 -9.454 1.910 1.00 0.00 H new ATOM 945 N ASP A 61 -6.959 -4.439 2.351 1.00 0.00 N ATOM 946 CA ASP A 61 -8.145 -3.583 2.470 1.00 0.00 C ATOM 947 C ASP A 61 -8.802 -3.748 3.831 1.00 0.00 C ATOM 948 O ASP A 61 -9.824 -4.406 4.004 1.00 0.00 O ATOM 949 CB ASP A 61 -9.146 -3.785 1.322 1.00 0.00 C ATOM 950 CG ASP A 61 -9.483 -5.247 1.084 1.00 0.00 C ATOM 951 OD1 ASP A 61 -8.548 -6.068 0.892 1.00 0.00 O ATOM 952 OD2 ASP A 61 -10.676 -5.623 1.109 1.00 0.00 O ATOM 0 H ASP A 61 -7.072 -5.234 1.721 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.800 -2.552 2.386 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.062 -3.237 1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.734 -3.359 0.408 1.00 0.00 H new ATOM 957 N SER A 62 -8.130 -3.215 4.793 1.00 0.00 N ATOM 958 CA SER A 62 -8.507 -3.260 6.150 1.00 0.00 C ATOM 959 C SER A 62 -8.825 -1.868 6.681 1.00 0.00 C ATOM 960 O SER A 62 -9.520 -1.729 7.696 1.00 0.00 O ATOM 961 CB SER A 62 -7.355 -3.923 6.922 1.00 0.00 C ATOM 962 OG SER A 62 -7.215 -5.272 6.494 1.00 0.00 O ATOM 0 H SER A 62 -7.257 -2.711 4.638 1.00 0.00 H new ATOM 0 HA SER A 62 -9.420 -3.841 6.277 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.427 -3.378 6.752 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.553 -3.888 7.993 1.00 0.00 H new ATOM 0 HG SER A 62 -6.593 -5.741 7.089 1.00 0.00 H new ATOM 968 N ASN A 63 -8.393 -0.841 5.963 1.00 0.00 N ATOM 969 CA ASN A 63 -8.563 0.529 6.424 1.00 0.00 C ATOM 970 C ASN A 63 -8.271 1.582 5.356 1.00 0.00 C ATOM 971 O ASN A 63 -9.136 2.420 5.065 1.00 0.00 O ATOM 972 CB ASN A 63 -7.782 0.831 7.755 1.00 0.00 C ATOM 973 CG ASN A 63 -6.296 0.431 7.761 1.00 0.00 C ATOM 974 OD1 ASN A 63 -5.631 0.402 6.736 1.00 0.00 O ATOM 975 ND2 ASN A 63 -5.786 0.108 8.924 1.00 0.00 N ATOM 0 H ASN A 63 -7.924 -0.930 5.062 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.627 0.608 6.648 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.853 1.899 7.962 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.282 0.314 8.574 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.809 -0.177 8.991 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.366 0.142 9.762 1.00 0.00 H new ATOM 982 N ARG A 64 -7.101 1.528 4.749 1.00 0.00 N ATOM 983 CA ARG A 64 -6.669 2.584 3.842 1.00 0.00 C ATOM 984 C ARG A 64 -6.022 1.991 2.582 1.00 0.00 C ATOM 985 O ARG A 64 -5.303 2.676 1.868 1.00 0.00 O ATOM 986 CB ARG A 64 -5.612 3.384 4.598 1.00 0.00 C ATOM 987 CG ARG A 64 -5.544 4.828 4.264 1.00 0.00 C ATOM 988 CD ARG A 64 -4.475 5.503 5.092 1.00 0.00 C ATOM 989 NE ARG A 64 -4.659 5.257 6.523 1.00 0.00 N ATOM 990 CZ ARG A 64 -3.675 5.012 7.387 1.00 0.00 C ATOM 991 NH1 ARG A 64 -2.415 5.054 6.987 1.00 0.00 N ATOM 992 NH2 ARG A 64 -3.950 4.736 8.656 1.00 0.00 N ATOM 0 H ARG A 64 -6.431 0.768 4.864 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.518 3.193 3.533 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.802 3.285 5.667 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.636 2.938 4.405 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.327 4.954 3.203 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.510 5.298 4.450 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.494 5.141 4.784 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.492 6.576 4.903 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.612 5.274 6.886 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.195 5.274 6.016 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.663 4.866 7.650 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.919 4.711 8.974 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.192 4.549 9.313 1.00 0.00 H new ATOM 1006 N LEU A 65 -6.295 0.741 2.302 1.00 0.00 N ATOM 1007 CA LEU A 65 -5.593 0.030 1.226 1.00 0.00 C ATOM 1008 C LEU A 65 -6.577 -0.613 0.240 1.00 0.00 C ATOM 1009 O LEU A 65 -7.662 -1.024 0.621 1.00 0.00 O ATOM 1010 CB LEU A 65 -4.625 -1.036 1.815 1.00 0.00 C ATOM 1011 CG LEU A 65 -3.378 -0.552 2.591 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -2.538 0.392 1.777 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.725 0.067 3.911 1.00 0.00 C ATOM 0 H LEU A 65 -6.993 0.184 2.794 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.006 0.762 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.203 -1.676 2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.281 -1.662 0.992 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.789 -1.447 2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.673 0.706 2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.200 -0.111 0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.131 1.266 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.813 0.389 4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.374 0.928 3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.242 -0.665 4.532 1.00 0.00 H new ATOM 1025 N ARG A 66 -6.199 -0.663 -1.016 1.00 0.00 N ATOM 1026 CA ARG A 66 -7.018 -1.219 -2.078 1.00 0.00 C ATOM 1027 C ARG A 66 -6.221 -2.258 -2.890 1.00 0.00 C ATOM 1028 O ARG A 66 -5.109 -1.951 -3.452 1.00 0.00 O ATOM 1029 CB ARG A 66 -7.537 -0.095 -2.991 1.00 0.00 C ATOM 1030 CG ARG A 66 -8.336 -0.541 -4.215 1.00 0.00 C ATOM 1031 CD ARG A 66 -9.626 -1.241 -3.845 1.00 0.00 C ATOM 1032 NE ARG A 66 -10.517 -0.397 -3.045 1.00 0.00 N ATOM 1033 CZ ARG A 66 -11.675 -0.801 -2.518 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -12.158 -2.005 -2.811 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -12.358 0.013 -1.723 1.00 0.00 N ATOM 0 H ARG A 66 -5.297 -0.313 -1.339 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.874 -1.724 -1.631 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.163 0.570 -2.396 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.684 0.492 -3.333 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.563 0.328 -4.833 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.724 -1.211 -4.819 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.142 -1.548 -4.755 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.395 -2.149 -3.288 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.232 0.568 -2.879 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.643 -2.622 -3.440 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.043 -2.312 -2.407 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.998 0.945 -1.516 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.243 -0.293 -1.319 1.00 0.00 H new ATOM 1049 N PRO A 67 -6.762 -3.505 -2.934 1.00 0.00 N ATOM 1050 CA PRO A 67 -6.177 -4.639 -3.655 1.00 0.00 C ATOM 1051 C PRO A 67 -6.409 -4.582 -5.172 1.00 0.00 C ATOM 1052 O PRO A 67 -6.962 -3.608 -5.702 1.00 0.00 O ATOM 1053 CB PRO A 67 -6.914 -5.832 -3.055 1.00 0.00 C ATOM 1054 CG PRO A 67 -8.252 -5.296 -2.736 1.00 0.00 C ATOM 1055 CD PRO A 67 -8.014 -3.908 -2.241 1.00 0.00 C ATOM 0 HA PRO A 67 -5.093 -4.669 -3.547 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.973 -6.661 -3.760 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.410 -6.206 -2.164 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.895 -5.295 -3.616 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.749 -5.903 -1.979 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.842 -3.245 -2.490 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.900 -3.882 -1.157 1.00 0.00 H new ATOM 1063 N LEU A 68 -5.990 -5.628 -5.853 1.00 0.00 N ATOM 1064 CA LEU A 68 -6.105 -5.724 -7.298 1.00 0.00 C ATOM 1065 C LEU A 68 -7.480 -6.057 -7.727 1.00 0.00 C ATOM 1066 O LEU A 68 -7.751 -7.244 -7.923 1.00 0.00 O ATOM 1067 CB LEU A 68 -5.213 -6.813 -7.845 1.00 0.00 C ATOM 1068 CG LEU A 68 -3.901 -6.382 -8.431 1.00 0.00 C ATOM 1069 CD1 LEU A 68 -3.180 -7.590 -8.981 1.00 0.00 C ATOM 1070 CD2 LEU A 68 -4.167 -5.389 -9.530 1.00 0.00 C ATOM 0 H LEU A 68 -5.557 -6.443 -5.419 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.815 -4.745 -7.679 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.010 -7.521 -7.042 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.767 -7.352 -8.613 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.278 -5.918 -7.667 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.226 -7.281 -9.408 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.004 -8.305 -8.178 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.790 -8.057 -9.755 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.221 -5.066 -9.966 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.781 -5.855 -10.300 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.691 -4.525 -9.121 1.00 0.00 H new ATOM 1082 N GLU A 69 -8.337 -5.025 -7.887 1.00 0.00 N ATOM 1083 CA GLU A 69 -9.770 -5.122 -8.324 1.00 0.00 C ATOM 1084 C GLU A 69 -10.627 -6.075 -7.470 1.00 0.00 C ATOM 1085 O GLU A 69 -11.598 -5.654 -6.833 1.00 0.00 O ATOM 1086 CB GLU A 69 -9.959 -5.372 -9.866 1.00 0.00 C ATOM 1087 CG GLU A 69 -9.164 -6.530 -10.479 1.00 0.00 C ATOM 1088 CD GLU A 69 -9.619 -6.913 -11.861 1.00 0.00 C ATOM 1089 OE1 GLU A 69 -9.239 -6.251 -12.842 1.00 0.00 O ATOM 1090 OE2 GLU A 69 -10.340 -7.919 -11.996 1.00 0.00 O ATOM 0 H GLU A 69 -8.051 -4.062 -7.712 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.160 -4.122 -8.135 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.018 -5.549 -10.055 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.690 -4.457 -10.394 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.110 -6.255 -10.517 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.244 -7.399 -9.826 1.00 0.00 H new ATOM 1097 N ARG A 70 -10.213 -7.307 -7.461 1.00 0.00 N ATOM 1098 CA ARG A 70 -10.771 -8.424 -6.784 1.00 0.00 C ATOM 1099 C ARG A 70 -12.027 -8.940 -7.498 1.00 0.00 C ATOM 1100 O ARG A 70 -13.052 -8.245 -7.575 1.00 0.00 O ATOM 1101 CB ARG A 70 -11.004 -8.175 -5.286 1.00 0.00 C ATOM 1102 CG ARG A 70 -11.606 -9.362 -4.553 1.00 0.00 C ATOM 1103 CD ARG A 70 -11.764 -9.076 -3.077 1.00 0.00 C ATOM 1104 NE ARG A 70 -10.474 -8.845 -2.426 1.00 0.00 N ATOM 1105 CZ ARG A 70 -10.277 -8.039 -1.381 1.00 0.00 C ATOM 1106 NH1 ARG A 70 -11.279 -7.346 -0.860 1.00 0.00 N ATOM 1107 NH2 ARG A 70 -9.077 -7.930 -0.856 1.00 0.00 N ATOM 0 H ARG A 70 -9.383 -7.575 -7.989 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.024 -9.216 -6.827 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.054 -7.915 -4.819 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -11.663 -7.315 -5.168 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.577 -9.604 -4.984 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.970 -10.237 -4.690 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.401 -8.201 -2.943 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.268 -9.914 -2.596 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.663 -9.338 -2.800 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.215 -7.425 -1.258 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.114 -6.734 -0.061 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.299 -8.461 -1.247 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.924 -7.315 -0.057 1.00 0.00 H new TER 1121 ARG A 70