USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 529 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 29 TYR OH : rot 157:sc= -1.59! USER MOD Set 1.2: A 37 GLN :FLIP amide:sc= -2.01! C(o=-10!,f=-3.6!) USER MOD Set 2.1: A 14 LYS NZ :NH3+ 167:sc= -2.94! (180deg=-3.2!) USER MOD Set 2.2: A 15 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : A 8 ASN : amide:sc= 0.838 K(o=0.84,f=-4!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.439 X(o=-0.44,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.476 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 152:sc= -3.11 (180deg=-5.07!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 100:sc= -0.202 USER MOD Single : A 43 LYS NZ :NH3+ -142:sc= -5.27! (180deg=-6.75!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.476 USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= 1.24 (180deg=1.18) USER MOD Single : A 68 GLN : amide:sc= -0.0879 K(o=-0.088,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 13.078 -4.109 10.690 1.00 0.00 N ATOM 63 CA ARG A 6 13.014 -3.075 11.771 1.00 0.00 C ATOM 64 C ARG A 6 12.284 -1.834 11.251 1.00 0.00 C ATOM 65 O ARG A 6 12.306 -1.536 10.074 1.00 0.00 O ATOM 66 CB ARG A 6 14.447 -2.693 12.178 1.00 0.00 C ATOM 67 CG ARG A 6 14.456 -1.960 13.559 1.00 0.00 C ATOM 68 CD ARG A 6 15.095 -2.822 14.689 1.00 0.00 C ATOM 69 NE ARG A 6 16.389 -2.210 15.151 1.00 0.00 N ATOM 70 CZ ARG A 6 17.311 -1.818 14.307 1.00 0.00 C ATOM 71 NH1 ARG A 6 17.170 -2.015 13.028 1.00 0.00 N ATOM 72 NH2 ARG A 6 18.395 -1.245 14.754 1.00 0.00 N ATOM 0 HA ARG A 6 12.477 -3.473 12.632 1.00 0.00 H new ATOM 0 HB2 ARG A 6 15.065 -3.589 12.233 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.886 -2.049 11.417 1.00 0.00 H new ATOM 0 HG2 ARG A 6 15.006 -1.024 13.466 1.00 0.00 H new ATOM 0 HG3 ARG A 6 13.434 -1.703 13.837 1.00 0.00 H new ATOM 0 HD2 ARG A 6 14.404 -2.902 15.528 1.00 0.00 H new ATOM 0 HD3 ARG A 6 15.274 -3.834 14.325 1.00 0.00 H new ATOM 0 HE ARG A 6 16.554 -2.097 16.151 1.00 0.00 H new ATOM 0 HH11 ARG A 6 16.334 -2.479 12.673 1.00 0.00 H new ATOM 0 HH12 ARG A 6 17.895 -1.705 12.381 1.00 0.00 H new ATOM 0 HH21 ARG A 6 18.521 -1.104 15.756 1.00 0.00 H new ATOM 0 HH22 ARG A 6 19.116 -0.938 14.101 1.00 0.00 H new ATOM 86 N ASP A 7 11.641 -1.104 12.123 1.00 0.00 N ATOM 87 CA ASP A 7 10.915 0.121 11.683 1.00 0.00 C ATOM 88 C ASP A 7 11.898 1.290 11.601 1.00 0.00 C ATOM 89 O ASP A 7 13.097 1.113 11.670 1.00 0.00 O ATOM 90 CB ASP A 7 9.816 0.456 12.694 1.00 0.00 C ATOM 91 CG ASP A 7 10.440 0.696 14.070 1.00 0.00 C ATOM 92 OD1 ASP A 7 11.640 0.515 14.195 1.00 0.00 O ATOM 93 OD2 ASP A 7 9.707 1.057 14.977 1.00 0.00 O ATOM 0 H ASP A 7 11.588 -1.304 13.122 1.00 0.00 H new ATOM 0 HA ASP A 7 10.468 -0.054 10.704 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.269 1.342 12.372 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.096 -0.361 12.748 1.00 0.00 H new ATOM 98 N ASN A 8 11.394 2.486 11.460 1.00 0.00 N ATOM 99 CA ASN A 8 12.292 3.674 11.380 1.00 0.00 C ATOM 100 C ASN A 8 12.587 4.180 12.794 1.00 0.00 C ATOM 101 O ASN A 8 12.875 5.343 13.000 1.00 0.00 O ATOM 102 CB ASN A 8 11.600 4.778 10.578 1.00 0.00 C ATOM 103 CG ASN A 8 10.159 4.934 11.067 1.00 0.00 C ATOM 104 OD1 ASN A 8 9.351 4.039 10.913 1.00 0.00 O ATOM 105 ND2 ASN A 8 9.800 6.043 11.655 1.00 0.00 N ATOM 0 H ASN A 8 10.397 2.692 11.397 1.00 0.00 H new ATOM 0 HA ASN A 8 13.225 3.397 10.889 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.139 5.719 10.693 1.00 0.00 H new ATOM 0 HB3 ASN A 8 11.611 4.533 9.516 1.00 0.00 H new ATOM 0 HD21 ASN A 8 8.842 6.158 11.985 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.478 6.794 11.784 1.00 0.00 H new ATOM 112 N ARG A 9 12.515 3.310 13.771 1.00 0.00 N ATOM 113 CA ARG A 9 12.788 3.721 15.185 1.00 0.00 C ATOM 114 C ARG A 9 13.701 2.685 15.845 1.00 0.00 C ATOM 115 O ARG A 9 14.907 2.729 15.703 1.00 0.00 O ATOM 116 CB ARG A 9 11.466 3.796 15.957 1.00 0.00 C ATOM 117 CG ARG A 9 10.586 4.915 15.378 1.00 0.00 C ATOM 118 CD ARG A 9 11.214 6.292 15.650 1.00 0.00 C ATOM 119 NE ARG A 9 10.140 7.325 15.686 1.00 0.00 N ATOM 120 CZ ARG A 9 10.385 8.504 16.191 1.00 0.00 C ATOM 121 NH1 ARG A 9 11.563 8.774 16.681 1.00 0.00 N ATOM 122 NH2 ARG A 9 9.449 9.413 16.208 1.00 0.00 N ATOM 0 H ARG A 9 12.277 2.326 13.650 1.00 0.00 H new ATOM 0 HA ARG A 9 13.273 4.697 15.195 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.944 2.841 15.895 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.661 3.984 17.013 1.00 0.00 H new ATOM 0 HG2 ARG A 9 10.464 4.771 14.305 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.591 4.869 15.821 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.753 6.278 16.597 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.940 6.533 14.874 1.00 0.00 H new ATOM 0 HE ARG A 9 9.214 7.111 15.316 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.295 8.064 16.670 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.752 9.696 17.075 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.527 9.202 15.827 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.640 10.334 16.602 1.00 0.00 H new ATOM 136 N GLY A 10 13.140 1.754 16.569 1.00 0.00 N ATOM 137 CA GLY A 10 13.987 0.721 17.237 1.00 0.00 C ATOM 138 C GLY A 10 13.149 -0.517 17.563 1.00 0.00 C ATOM 139 O GLY A 10 13.640 -1.477 18.123 1.00 0.00 O ATOM 0 H GLY A 10 12.136 1.663 16.727 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.818 0.446 16.588 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.418 1.129 18.151 1.00 0.00 H new ATOM 143 N ARG A 11 11.892 -0.514 17.211 1.00 0.00 N ATOM 144 CA ARG A 11 11.037 -1.698 17.495 1.00 0.00 C ATOM 145 C ARG A 11 11.261 -2.726 16.389 1.00 0.00 C ATOM 146 O ARG A 11 12.126 -2.561 15.559 1.00 0.00 O ATOM 147 CB ARG A 11 9.562 -1.279 17.507 1.00 0.00 C ATOM 148 CG ARG A 11 9.235 -0.466 18.780 1.00 0.00 C ATOM 149 CD ARG A 11 9.509 1.023 18.539 1.00 0.00 C ATOM 150 NE ARG A 11 8.640 1.506 17.430 1.00 0.00 N ATOM 151 CZ ARG A 11 8.470 2.786 17.241 1.00 0.00 C ATOM 152 NH1 ARG A 11 9.075 3.647 18.014 1.00 0.00 N ATOM 153 NH2 ARG A 11 7.696 3.205 16.277 1.00 0.00 N ATOM 0 H ARG A 11 11.422 0.258 16.739 1.00 0.00 H new ATOM 0 HA ARG A 11 11.294 -2.121 18.466 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.341 -0.682 16.622 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.927 -2.164 17.462 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.191 -0.612 19.056 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.838 -0.824 19.615 1.00 0.00 H new ATOM 0 HD2 ARG A 11 9.312 1.593 19.447 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.559 1.176 18.288 1.00 0.00 H new ATOM 0 HE ARG A 11 8.177 0.835 16.817 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.681 3.319 18.766 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.942 4.647 17.866 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.225 2.532 15.672 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.562 4.205 16.128 1.00 0.00 H new ATOM 167 N ILE A 12 10.490 -3.781 16.369 1.00 0.00 N ATOM 168 CA ILE A 12 10.656 -4.828 15.309 1.00 0.00 C ATOM 169 C ILE A 12 9.311 -5.052 14.611 1.00 0.00 C ATOM 170 O ILE A 12 8.330 -5.406 15.233 1.00 0.00 O ATOM 171 CB ILE A 12 11.119 -6.140 15.969 1.00 0.00 C ATOM 172 CG1 ILE A 12 12.581 -6.001 16.459 1.00 0.00 C ATOM 173 CG2 ILE A 12 11.001 -7.306 14.975 1.00 0.00 C ATOM 174 CD1 ILE A 12 13.578 -6.305 15.328 1.00 0.00 C ATOM 0 H ILE A 12 9.748 -3.967 17.043 1.00 0.00 H new ATOM 0 HA ILE A 12 11.397 -4.505 14.577 1.00 0.00 H new ATOM 0 HB ILE A 12 10.479 -6.347 16.826 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.748 -4.991 16.832 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.754 -6.682 17.293 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.331 -8.228 15.454 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.963 -7.413 14.661 1.00 0.00 H new ATOM 0 HG23 ILE A 12 11.625 -7.106 14.104 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.596 -6.199 15.702 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.426 -7.324 14.973 1.00 0.00 H new ATOM 0 HD13 ILE A 12 13.419 -5.607 14.506 1.00 0.00 H new ATOM 186 N LEU A 13 9.261 -4.859 13.320 1.00 0.00 N ATOM 187 CA LEU A 13 7.984 -5.072 12.580 1.00 0.00 C ATOM 188 C LEU A 13 7.875 -6.547 12.200 1.00 0.00 C ATOM 189 O LEU A 13 8.817 -7.145 11.718 1.00 0.00 O ATOM 190 CB LEU A 13 7.983 -4.217 11.309 1.00 0.00 C ATOM 191 CG LEU A 13 8.177 -2.740 11.675 1.00 0.00 C ATOM 192 CD1 LEU A 13 8.439 -1.930 10.400 1.00 0.00 C ATOM 193 CD2 LEU A 13 6.921 -2.200 12.381 1.00 0.00 C ATOM 0 H LEU A 13 10.050 -4.563 12.746 1.00 0.00 H new ATOM 0 HA LEU A 13 7.139 -4.787 13.207 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.780 -4.543 10.640 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.043 -4.348 10.773 1.00 0.00 H new ATOM 0 HG LEU A 13 9.028 -2.648 12.349 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.577 -0.880 10.658 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.337 -2.304 9.909 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.589 -2.029 9.725 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.070 -1.151 12.636 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.062 -2.294 11.717 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.740 -2.773 13.291 1.00 0.00 H new ATOM 205 N LYS A 14 6.735 -7.146 12.421 1.00 0.00 N ATOM 206 CA LYS A 14 6.570 -8.592 12.082 1.00 0.00 C ATOM 207 C LYS A 14 6.090 -8.724 10.635 1.00 0.00 C ATOM 208 O LYS A 14 5.743 -7.755 9.990 1.00 0.00 O ATOM 209 CB LYS A 14 5.538 -9.221 13.042 1.00 0.00 C ATOM 210 CG LYS A 14 5.844 -10.715 13.261 1.00 0.00 C ATOM 211 CD LYS A 14 7.103 -10.888 14.156 1.00 0.00 C ATOM 212 CE LYS A 14 8.103 -11.857 13.509 1.00 0.00 C ATOM 213 NZ LYS A 14 8.423 -11.405 12.124 1.00 0.00 N ATOM 0 H LYS A 14 5.911 -6.698 12.821 1.00 0.00 H new ATOM 0 HA LYS A 14 7.523 -9.110 12.188 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.555 -8.697 13.997 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.534 -9.106 12.633 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.989 -11.203 13.729 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.004 -11.204 12.300 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.578 -9.920 14.314 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.809 -11.263 15.136 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.014 -11.905 14.105 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.685 -12.863 13.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.252 -11.925 11.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.610 -11.589 11.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.630 -10.386 12.131 1.00 0.00 H new ATOM 227 N THR A 15 6.072 -9.921 10.125 1.00 0.00 N ATOM 228 CA THR A 15 5.615 -10.126 8.720 1.00 0.00 C ATOM 229 C THR A 15 4.274 -9.420 8.517 1.00 0.00 C ATOM 230 O THR A 15 3.481 -9.299 9.429 1.00 0.00 O ATOM 231 CB THR A 15 5.450 -11.625 8.452 1.00 0.00 C ATOM 232 OG1 THR A 15 6.608 -12.314 8.902 1.00 0.00 O ATOM 233 CG2 THR A 15 5.265 -11.863 6.952 1.00 0.00 C ATOM 0 H THR A 15 6.354 -10.768 10.618 1.00 0.00 H new ATOM 0 HA THR A 15 6.352 -9.714 8.031 1.00 0.00 H new ATOM 0 HB THR A 15 4.574 -11.994 8.986 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.504 -13.274 8.733 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.148 -12.930 6.765 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.377 -11.334 6.607 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.139 -11.494 6.415 1.00 0.00 H new ATOM 241 N GLY A 16 4.010 -8.951 7.326 1.00 0.00 N ATOM 242 CA GLY A 16 2.717 -8.252 7.067 1.00 0.00 C ATOM 243 C GLY A 16 2.854 -6.767 7.414 1.00 0.00 C ATOM 244 O GLY A 16 2.246 -5.920 6.794 1.00 0.00 O ATOM 0 H GLY A 16 4.633 -9.022 6.522 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.434 -8.366 6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.923 -8.703 7.663 1.00 0.00 H new ATOM 248 N GLU A 17 3.648 -6.442 8.404 1.00 0.00 N ATOM 249 CA GLU A 17 3.817 -5.008 8.795 1.00 0.00 C ATOM 250 C GLU A 17 4.988 -4.389 8.023 1.00 0.00 C ATOM 251 O GLU A 17 5.967 -5.044 7.727 1.00 0.00 O ATOM 252 CB GLU A 17 4.104 -4.922 10.298 1.00 0.00 C ATOM 253 CG GLU A 17 2.815 -5.184 11.081 1.00 0.00 C ATOM 254 CD GLU A 17 3.151 -5.405 12.557 1.00 0.00 C ATOM 255 OE1 GLU A 17 4.326 -5.400 12.885 1.00 0.00 O ATOM 256 OE2 GLU A 17 2.226 -5.577 13.335 1.00 0.00 O ATOM 0 H GLU A 17 4.187 -7.108 8.958 1.00 0.00 H new ATOM 0 HA GLU A 17 2.902 -4.464 8.560 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.865 -5.651 10.576 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.500 -3.937 10.548 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.134 -4.340 10.974 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.304 -6.058 10.678 1.00 0.00 H new ATOM 263 N SER A 18 4.889 -3.126 7.698 1.00 0.00 N ATOM 264 CA SER A 18 5.987 -2.449 6.947 1.00 0.00 C ATOM 265 C SER A 18 5.676 -0.952 6.845 1.00 0.00 C ATOM 266 O SER A 18 4.534 -0.544 6.922 1.00 0.00 O ATOM 267 CB SER A 18 6.089 -3.042 5.541 1.00 0.00 C ATOM 268 OG SER A 18 5.190 -2.358 4.678 1.00 0.00 O ATOM 0 H SER A 18 4.091 -2.532 7.922 1.00 0.00 H new ATOM 0 HA SER A 18 6.932 -2.596 7.470 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.109 -2.951 5.168 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.851 -4.106 5.564 1.00 0.00 H new ATOM 0 HG SER A 18 5.253 -2.734 3.775 1.00 0.00 H new ATOM 274 N GLN A 19 6.681 -0.125 6.674 1.00 0.00 N ATOM 275 CA GLN A 19 6.436 1.350 6.567 1.00 0.00 C ATOM 276 C GLN A 19 6.413 1.764 5.096 1.00 0.00 C ATOM 277 O GLN A 19 7.173 1.271 4.286 1.00 0.00 O ATOM 278 CB GLN A 19 7.541 2.116 7.304 1.00 0.00 C ATOM 279 CG GLN A 19 8.908 1.691 6.773 1.00 0.00 C ATOM 280 CD GLN A 19 10.003 2.500 7.473 1.00 0.00 C ATOM 281 OE1 GLN A 19 10.845 1.946 8.151 1.00 0.00 O ATOM 282 NE2 GLN A 19 10.026 3.798 7.336 1.00 0.00 N ATOM 0 H GLN A 19 7.659 -0.407 6.604 1.00 0.00 H new ATOM 0 HA GLN A 19 5.474 1.586 7.021 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.405 3.189 7.168 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.480 1.920 8.375 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.062 0.626 6.946 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.957 1.850 5.696 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.319 4.263 6.767 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.751 4.347 7.798 1.00 0.00 H new ATOM 291 N ARG A 20 5.533 2.665 4.746 1.00 0.00 N ATOM 292 CA ARG A 20 5.437 3.116 3.327 1.00 0.00 C ATOM 293 C ARG A 20 6.427 4.256 3.072 1.00 0.00 C ATOM 294 O ARG A 20 6.957 4.856 3.987 1.00 0.00 O ATOM 295 CB ARG A 20 4.009 3.601 3.055 1.00 0.00 C ATOM 296 CG ARG A 20 3.903 4.114 1.610 1.00 0.00 C ATOM 297 CD ARG A 20 2.430 4.219 1.191 1.00 0.00 C ATOM 298 NE ARG A 20 2.327 4.217 -0.306 1.00 0.00 N ATOM 299 CZ ARG A 20 3.001 5.064 -1.040 1.00 0.00 C ATOM 300 NH1 ARG A 20 3.632 6.066 -0.491 1.00 0.00 N ATOM 301 NH2 ARG A 20 2.993 4.940 -2.338 1.00 0.00 N ATOM 0 H ARG A 20 4.874 3.110 5.385 1.00 0.00 H new ATOM 0 HA ARG A 20 5.679 2.286 2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.302 2.787 3.215 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.745 4.395 3.753 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.383 5.089 1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.433 3.440 0.937 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.864 3.384 1.605 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.992 5.132 1.594 1.00 0.00 H new ATOM 0 HE ARG A 20 1.717 3.539 -0.762 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.603 6.195 0.520 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.155 6.720 -1.073 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.463 4.186 -2.775 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.516 5.597 -2.916 1.00 0.00 H new ATOM 315 N LYS A 21 6.679 4.552 1.826 1.00 0.00 N ATOM 316 CA LYS A 21 7.633 5.645 1.479 1.00 0.00 C ATOM 317 C LYS A 21 7.214 6.943 2.176 1.00 0.00 C ATOM 318 O LYS A 21 8.004 7.853 2.337 1.00 0.00 O ATOM 319 CB LYS A 21 7.610 5.863 -0.041 1.00 0.00 C ATOM 320 CG LYS A 21 7.889 4.529 -0.792 1.00 0.00 C ATOM 321 CD LYS A 21 6.984 4.406 -2.032 1.00 0.00 C ATOM 322 CE LYS A 21 7.392 5.442 -3.085 1.00 0.00 C ATOM 323 NZ LYS A 21 6.259 5.666 -4.026 1.00 0.00 N ATOM 0 H LYS A 21 6.261 4.079 1.025 1.00 0.00 H new ATOM 0 HA LYS A 21 8.635 5.368 1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.640 6.260 -0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.358 6.606 -0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.936 4.487 -1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.716 3.686 -0.123 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.060 3.402 -2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.942 4.555 -1.748 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.668 6.379 -2.601 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.269 5.095 -3.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.535 6.369 -4.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.016 4.771 -4.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.433 6.015 -3.498 1.00 0.00 H new ATOM 337 N ASP A 22 5.977 7.043 2.575 1.00 0.00 N ATOM 338 CA ASP A 22 5.506 8.290 3.245 1.00 0.00 C ATOM 339 C ASP A 22 5.897 8.272 4.728 1.00 0.00 C ATOM 340 O ASP A 22 5.623 9.203 5.459 1.00 0.00 O ATOM 341 CB ASP A 22 3.981 8.388 3.116 1.00 0.00 C ATOM 342 CG ASP A 22 3.611 8.831 1.698 1.00 0.00 C ATOM 343 OD1 ASP A 22 4.515 9.001 0.897 1.00 0.00 O ATOM 344 OD2 ASP A 22 2.430 8.991 1.438 1.00 0.00 O ATOM 0 H ASP A 22 5.270 6.315 2.467 1.00 0.00 H new ATOM 0 HA ASP A 22 5.972 9.152 2.768 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.525 7.423 3.337 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.590 9.099 3.843 1.00 0.00 H new ATOM 349 N GLY A 23 6.540 7.228 5.180 1.00 0.00 N ATOM 350 CA GLY A 23 6.951 7.166 6.614 1.00 0.00 C ATOM 351 C GLY A 23 5.813 6.590 7.457 1.00 0.00 C ATOM 352 O GLY A 23 6.032 6.053 8.525 1.00 0.00 O ATOM 0 H GLY A 23 6.798 6.416 4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.842 6.548 6.719 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.211 8.163 6.970 1.00 0.00 H new ATOM 356 N ARG A 24 4.598 6.693 6.990 1.00 0.00 N ATOM 357 CA ARG A 24 3.457 6.146 7.776 1.00 0.00 C ATOM 358 C ARG A 24 3.567 4.626 7.826 1.00 0.00 C ATOM 359 O ARG A 24 4.209 4.013 6.998 1.00 0.00 O ATOM 360 CB ARG A 24 2.133 6.533 7.112 1.00 0.00 C ATOM 361 CG ARG A 24 2.099 6.014 5.668 1.00 0.00 C ATOM 362 CD ARG A 24 1.053 6.794 4.866 1.00 0.00 C ATOM 363 NE ARG A 24 1.490 8.212 4.730 1.00 0.00 N ATOM 364 CZ ARG A 24 0.918 8.991 3.853 1.00 0.00 C ATOM 365 NH1 ARG A 24 -0.037 8.528 3.096 1.00 0.00 N ATOM 366 NH2 ARG A 24 1.299 10.233 3.736 1.00 0.00 N ATOM 0 H ARG A 24 4.348 7.130 6.103 1.00 0.00 H new ATOM 0 HA ARG A 24 3.486 6.556 8.786 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.298 6.117 7.676 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.015 7.617 7.121 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.081 6.124 5.208 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.860 4.951 5.659 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.925 6.345 3.881 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.086 6.746 5.366 1.00 0.00 H new ATOM 0 HE ARG A 24 2.237 8.574 5.323 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.337 7.558 3.189 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.485 9.136 2.410 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.044 10.596 4.330 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.852 10.841 3.050 1.00 0.00 H new ATOM 380 N TYR A 25 2.949 4.012 8.793 1.00 0.00 N ATOM 381 CA TYR A 25 3.024 2.532 8.892 1.00 0.00 C ATOM 382 C TYR A 25 2.084 1.907 7.863 1.00 0.00 C ATOM 383 O TYR A 25 1.120 2.513 7.436 1.00 0.00 O ATOM 384 CB TYR A 25 2.654 2.102 10.311 1.00 0.00 C ATOM 385 CG TYR A 25 3.779 2.519 11.229 1.00 0.00 C ATOM 386 CD1 TYR A 25 5.028 1.896 11.119 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.587 3.542 12.165 1.00 0.00 C ATOM 388 CE1 TYR A 25 6.084 2.290 11.945 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.644 3.941 12.991 1.00 0.00 C ATOM 390 CZ TYR A 25 5.893 3.314 12.882 1.00 0.00 C ATOM 391 OH TYR A 25 6.935 3.707 13.697 1.00 0.00 O ATOM 0 H TYR A 25 2.396 4.470 9.517 1.00 0.00 H new ATOM 0 HA TYR A 25 4.038 2.191 8.682 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.718 2.567 10.619 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.504 1.023 10.356 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.176 1.109 10.394 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.624 4.023 12.250 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.046 1.806 11.861 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.497 4.732 13.712 1.00 0.00 H new ATOM 0 HH TYR A 25 6.634 4.429 14.288 1.00 0.00 H new ATOM 401 N LEU A 26 2.379 0.707 7.436 1.00 0.00 N ATOM 402 CA LEU A 26 1.532 0.041 6.402 1.00 0.00 C ATOM 403 C LEU A 26 1.427 -1.452 6.714 1.00 0.00 C ATOM 404 O LEU A 26 2.403 -2.094 7.048 1.00 0.00 O ATOM 405 CB LEU A 26 2.204 0.245 5.032 1.00 0.00 C ATOM 406 CG LEU A 26 1.321 -0.327 3.887 1.00 0.00 C ATOM 407 CD1 LEU A 26 1.427 0.582 2.648 1.00 0.00 C ATOM 408 CD2 LEU A 26 1.783 -1.759 3.513 1.00 0.00 C ATOM 0 H LEU A 26 3.174 0.157 7.761 1.00 0.00 H new ATOM 0 HA LEU A 26 0.529 0.468 6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.380 1.307 4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.178 -0.245 5.024 1.00 0.00 H new ATOM 0 HG LEU A 26 0.287 -0.365 4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.807 0.179 1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.084 1.585 2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.465 0.626 2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.155 -2.146 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.821 -1.731 3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.698 -2.408 4.385 1.00 0.00 H new ATOM 420 N TYR A 27 0.244 -2.010 6.603 1.00 0.00 N ATOM 421 CA TYR A 27 0.052 -3.468 6.886 1.00 0.00 C ATOM 422 C TYR A 27 -0.702 -4.110 5.721 1.00 0.00 C ATOM 423 O TYR A 27 -1.857 -3.815 5.470 1.00 0.00 O ATOM 424 CB TYR A 27 -0.750 -3.634 8.176 1.00 0.00 C ATOM 425 CG TYR A 27 -1.101 -5.090 8.389 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.104 -6.004 8.747 1.00 0.00 C ATOM 427 CD2 TYR A 27 -2.425 -5.523 8.241 1.00 0.00 C ATOM 428 CE1 TYR A 27 -0.430 -7.350 8.957 1.00 0.00 C ATOM 429 CE2 TYR A 27 -2.749 -6.868 8.448 1.00 0.00 C ATOM 430 CZ TYR A 27 -1.751 -7.781 8.807 1.00 0.00 C ATOM 431 OH TYR A 27 -2.072 -9.109 9.012 1.00 0.00 O ATOM 0 H TYR A 27 -0.603 -1.513 6.326 1.00 0.00 H new ATOM 0 HA TYR A 27 1.021 -3.953 7.002 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.172 -3.264 9.023 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.660 -3.036 8.126 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.917 -5.672 8.861 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.196 -4.818 7.967 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.340 -8.055 9.235 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.769 -7.202 8.331 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.033 -9.239 8.868 1.00 0.00 H new ATOM 441 N LYS A 28 -0.041 -4.977 5.002 1.00 0.00 N ATOM 442 CA LYS A 28 -0.682 -5.660 3.837 1.00 0.00 C ATOM 443 C LYS A 28 -1.118 -7.070 4.262 1.00 0.00 C ATOM 444 O LYS A 28 -0.404 -7.760 4.963 1.00 0.00 O ATOM 445 CB LYS A 28 0.356 -5.741 2.695 1.00 0.00 C ATOM 446 CG LYS A 28 -0.313 -5.588 1.321 1.00 0.00 C ATOM 447 CD LYS A 28 0.777 -5.393 0.262 1.00 0.00 C ATOM 448 CE LYS A 28 0.146 -5.206 -1.124 1.00 0.00 C ATOM 449 NZ LYS A 28 -0.122 -6.539 -1.731 1.00 0.00 N ATOM 0 H LYS A 28 0.928 -5.245 5.173 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.559 -5.109 3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.105 -4.960 2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.879 -6.696 2.743 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.910 -6.471 1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.993 -4.736 1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.385 -4.524 0.512 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.443 -6.256 0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.782 -4.640 -1.040 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.814 -4.630 -1.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.926 -6.467 -2.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.720 -6.860 -2.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.348 -7.223 -0.981 1.00 0.00 H new ATOM 463 N TYR A 29 -2.270 -7.512 3.839 1.00 0.00 N ATOM 464 CA TYR A 29 -2.720 -8.886 4.218 1.00 0.00 C ATOM 465 C TYR A 29 -3.731 -9.406 3.193 1.00 0.00 C ATOM 466 O TYR A 29 -4.596 -8.690 2.729 1.00 0.00 O ATOM 467 CB TYR A 29 -3.333 -8.871 5.624 1.00 0.00 C ATOM 468 CG TYR A 29 -4.688 -8.202 5.614 1.00 0.00 C ATOM 469 CD1 TYR A 29 -4.786 -6.811 5.741 1.00 0.00 C ATOM 470 CD2 TYR A 29 -5.847 -8.978 5.496 1.00 0.00 C ATOM 471 CE1 TYR A 29 -6.044 -6.198 5.747 1.00 0.00 C ATOM 472 CE2 TYR A 29 -7.105 -8.363 5.507 1.00 0.00 C ATOM 473 CZ TYR A 29 -7.203 -6.974 5.632 1.00 0.00 C ATOM 474 OH TYR A 29 -8.442 -6.367 5.644 1.00 0.00 O ATOM 0 H TYR A 29 -2.917 -6.987 3.251 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.859 -9.554 4.225 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.430 -9.892 5.994 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.668 -8.345 6.309 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.892 -6.212 5.834 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -5.771 -10.051 5.397 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.121 -5.125 5.840 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.000 -8.962 5.419 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.096 -6.949 5.203 1.00 0.00 H new ATOM 484 N ILE A 30 -3.608 -10.653 2.828 1.00 0.00 N ATOM 485 CA ILE A 30 -4.532 -11.250 1.820 1.00 0.00 C ATOM 486 C ILE A 30 -5.862 -11.609 2.491 1.00 0.00 C ATOM 487 O ILE A 30 -5.900 -12.323 3.474 1.00 0.00 O ATOM 488 CB ILE A 30 -3.874 -12.512 1.237 1.00 0.00 C ATOM 489 CG1 ILE A 30 -2.366 -12.278 1.088 1.00 0.00 C ATOM 490 CG2 ILE A 30 -4.464 -12.847 -0.136 1.00 0.00 C ATOM 491 CD1 ILE A 30 -2.098 -11.014 0.267 1.00 0.00 C ATOM 0 H ILE A 30 -2.899 -11.291 3.189 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.727 -10.536 1.020 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.062 -13.344 1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.908 -12.183 2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.905 -13.138 0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.984 -13.743 -0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.535 -13.022 -0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.293 -12.014 -0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.023 -10.863 0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.539 -11.124 -0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.542 -10.154 0.768 1.00 0.00 H new ATOM 503 N ASP A 31 -6.952 -11.112 1.970 1.00 0.00 N ATOM 504 CA ASP A 31 -8.280 -11.420 2.580 1.00 0.00 C ATOM 505 C ASP A 31 -8.772 -12.780 2.079 1.00 0.00 C ATOM 506 O ASP A 31 -8.041 -13.527 1.459 1.00 0.00 O ATOM 507 CB ASP A 31 -9.285 -10.335 2.181 1.00 0.00 C ATOM 508 CG ASP A 31 -9.278 -10.164 0.661 1.00 0.00 C ATOM 509 OD1 ASP A 31 -8.555 -10.895 0.006 1.00 0.00 O ATOM 510 OD2 ASP A 31 -9.997 -9.304 0.178 1.00 0.00 O ATOM 0 H ASP A 31 -6.981 -10.507 1.149 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.184 -11.448 3.665 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.284 -10.607 2.522 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.029 -9.392 2.664 1.00 0.00 H new ATOM 515 N SER A 32 -10.006 -13.113 2.352 1.00 0.00 N ATOM 516 CA SER A 32 -10.543 -14.428 1.901 1.00 0.00 C ATOM 517 C SER A 32 -10.941 -14.348 0.426 1.00 0.00 C ATOM 518 O SER A 32 -11.561 -15.248 -0.106 1.00 0.00 O ATOM 519 CB SER A 32 -11.770 -14.788 2.737 1.00 0.00 C ATOM 520 OG SER A 32 -11.367 -15.049 4.075 1.00 0.00 O ATOM 0 H SER A 32 -10.665 -12.530 2.868 1.00 0.00 H new ATOM 0 HA SER A 32 -9.775 -15.192 2.026 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.491 -13.971 2.715 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.266 -15.663 2.317 1.00 0.00 H new ATOM 0 HG SER A 32 -12.152 -15.279 4.614 1.00 0.00 H new ATOM 526 N PHE A 33 -10.590 -13.280 -0.241 1.00 0.00 N ATOM 527 CA PHE A 33 -10.941 -13.136 -1.684 1.00 0.00 C ATOM 528 C PHE A 33 -9.721 -13.515 -2.526 1.00 0.00 C ATOM 529 O PHE A 33 -9.841 -14.012 -3.628 1.00 0.00 O ATOM 530 CB PHE A 33 -11.330 -11.674 -1.958 1.00 0.00 C ATOM 531 CG PHE A 33 -12.793 -11.456 -1.634 1.00 0.00 C ATOM 532 CD1 PHE A 33 -13.196 -11.266 -0.308 1.00 0.00 C ATOM 533 CD2 PHE A 33 -13.742 -11.448 -2.663 1.00 0.00 C ATOM 534 CE1 PHE A 33 -14.550 -11.067 -0.009 1.00 0.00 C ATOM 535 CE2 PHE A 33 -15.096 -11.248 -2.365 1.00 0.00 C ATOM 536 CZ PHE A 33 -15.500 -11.058 -1.039 1.00 0.00 C ATOM 0 H PHE A 33 -10.072 -12.496 0.155 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.777 -13.787 -1.940 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.713 -11.006 -1.357 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.140 -11.429 -3.003 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.463 -11.273 0.485 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -13.430 -11.596 -3.686 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -14.861 -10.921 1.015 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -15.828 -11.240 -3.159 1.00 0.00 H new ATOM 0 HZ PHE A 33 -16.544 -10.904 -0.809 1.00 0.00 H new ATOM 546 N GLY A 34 -8.544 -13.279 -2.007 1.00 0.00 N ATOM 547 CA GLY A 34 -7.293 -13.614 -2.756 1.00 0.00 C ATOM 548 C GLY A 34 -6.678 -12.328 -3.305 1.00 0.00 C ATOM 549 O GLY A 34 -5.770 -12.359 -4.113 1.00 0.00 O ATOM 0 H GLY A 34 -8.393 -12.864 -1.087 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.585 -14.118 -2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.516 -14.302 -3.572 1.00 0.00 H new ATOM 553 N GLU A 35 -7.170 -11.194 -2.867 1.00 0.00 N ATOM 554 CA GLU A 35 -6.630 -9.880 -3.346 1.00 0.00 C ATOM 555 C GLU A 35 -6.063 -9.103 -2.142 1.00 0.00 C ATOM 556 O GLU A 35 -6.796 -8.779 -1.228 1.00 0.00 O ATOM 557 CB GLU A 35 -7.771 -9.072 -3.970 1.00 0.00 C ATOM 558 CG GLU A 35 -8.574 -9.966 -4.917 1.00 0.00 C ATOM 559 CD GLU A 35 -7.640 -10.563 -5.970 1.00 0.00 C ATOM 560 OE1 GLU A 35 -6.876 -9.810 -6.550 1.00 0.00 O ATOM 561 OE2 GLU A 35 -7.707 -11.763 -6.181 1.00 0.00 O ATOM 0 H GLU A 35 -7.930 -11.121 -2.191 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.845 -10.045 -4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.420 -8.677 -3.189 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.370 -8.217 -4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.062 -10.762 -4.355 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.361 -9.387 -5.400 1.00 0.00 H new ATOM 568 N PRO A 36 -4.779 -8.799 -2.117 1.00 0.00 N ATOM 569 CA PRO A 36 -4.168 -8.052 -0.978 1.00 0.00 C ATOM 570 C PRO A 36 -5.051 -6.899 -0.487 1.00 0.00 C ATOM 571 O PRO A 36 -5.798 -6.309 -1.242 1.00 0.00 O ATOM 572 CB PRO A 36 -2.857 -7.526 -1.561 1.00 0.00 C ATOM 573 CG PRO A 36 -2.458 -8.551 -2.572 1.00 0.00 C ATOM 574 CD PRO A 36 -3.765 -9.119 -3.146 1.00 0.00 C ATOM 0 HA PRO A 36 -4.033 -8.686 -0.102 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.992 -6.547 -2.021 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.096 -7.413 -0.789 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.849 -8.105 -3.358 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.860 -9.338 -2.113 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.011 -8.662 -4.104 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.693 -10.194 -3.314 1.00 0.00 H new ATOM 582 N GLN A 37 -4.964 -6.581 0.782 1.00 0.00 N ATOM 583 CA GLN A 37 -5.783 -5.468 1.358 1.00 0.00 C ATOM 584 C GLN A 37 -4.856 -4.527 2.135 1.00 0.00 C ATOM 585 O GLN A 37 -4.206 -4.919 3.084 1.00 0.00 O ATOM 586 CB GLN A 37 -6.839 -6.067 2.296 1.00 0.00 C ATOM 587 CG GLN A 37 -7.857 -4.991 2.704 1.00 0.00 C ATOM 588 CD GLN A 37 -9.134 -5.659 3.229 1.00 0.00 C ATOM 589 OE1 GLN A 37 -9.160 -6.953 3.402 1.00 0.00 O flip ATOM 590 NE2 GLN A 37 -10.118 -4.993 3.485 1.00 0.00 N flip ATOM 0 H GLN A 37 -4.353 -7.051 1.451 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.283 -4.908 0.568 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.350 -6.892 1.800 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.357 -6.477 3.183 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.430 -4.346 3.472 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.092 -4.357 1.849 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.099 -3.982 3.350 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -10.963 -5.445 3.835 1.00 0.00 H new ATOM 599 N PHE A 38 -4.769 -3.293 1.715 1.00 0.00 N ATOM 600 CA PHE A 38 -3.860 -2.318 2.391 1.00 0.00 C ATOM 601 C PHE A 38 -4.543 -1.672 3.612 1.00 0.00 C ATOM 602 O PHE A 38 -5.735 -1.439 3.631 1.00 0.00 O ATOM 603 CB PHE A 38 -3.504 -1.205 1.387 1.00 0.00 C ATOM 604 CG PHE A 38 -2.278 -1.568 0.574 1.00 0.00 C ATOM 605 CD1 PHE A 38 -1.016 -1.551 1.174 1.00 0.00 C ATOM 606 CD2 PHE A 38 -2.398 -1.874 -0.786 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.125 -1.848 0.417 1.00 0.00 C ATOM 608 CE2 PHE A 38 -1.260 -2.158 -1.543 1.00 0.00 C ATOM 609 CZ PHE A 38 0.002 -2.148 -0.942 1.00 0.00 C ATOM 0 H PHE A 38 -5.293 -2.914 0.926 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.970 -2.849 2.729 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.348 -1.032 0.719 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.325 -0.273 1.923 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.920 -1.309 2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.373 -1.891 -1.251 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.099 -1.845 0.884 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.355 -2.386 -2.594 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.881 -2.372 -1.528 1.00 0.00 H new ATOM 619 N VAL A 39 -3.757 -1.333 4.605 1.00 0.00 N ATOM 620 CA VAL A 39 -4.287 -0.638 5.823 1.00 0.00 C ATOM 621 C VAL A 39 -3.279 0.460 6.180 1.00 0.00 C ATOM 622 O VAL A 39 -2.088 0.222 6.209 1.00 0.00 O ATOM 623 CB VAL A 39 -4.436 -1.632 6.982 1.00 0.00 C ATOM 624 CG1 VAL A 39 -4.661 -0.872 8.301 1.00 0.00 C ATOM 625 CG2 VAL A 39 -5.637 -2.542 6.710 1.00 0.00 C ATOM 0 H VAL A 39 -2.753 -1.511 4.624 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.272 -0.212 5.633 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.528 -2.229 7.065 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.766 -1.585 9.119 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.809 -0.220 8.495 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.568 -0.272 8.225 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.749 -3.251 7.530 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.540 -1.937 6.627 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.478 -3.086 5.779 1.00 0.00 H new ATOM 635 N TYR A 40 -3.736 1.670 6.404 1.00 0.00 N ATOM 636 CA TYR A 40 -2.789 2.797 6.705 1.00 0.00 C ATOM 637 C TYR A 40 -2.869 3.218 8.174 1.00 0.00 C ATOM 638 O TYR A 40 -3.895 3.115 8.817 1.00 0.00 O ATOM 639 CB TYR A 40 -3.161 3.996 5.826 1.00 0.00 C ATOM 640 CG TYR A 40 -2.717 3.743 4.405 1.00 0.00 C ATOM 641 CD1 TYR A 40 -3.555 3.057 3.519 1.00 0.00 C ATOM 642 CD2 TYR A 40 -1.467 4.200 3.976 1.00 0.00 C ATOM 643 CE1 TYR A 40 -3.142 2.828 2.200 1.00 0.00 C ATOM 644 CE2 TYR A 40 -1.053 3.971 2.658 1.00 0.00 C ATOM 645 CZ TYR A 40 -1.891 3.286 1.770 1.00 0.00 C ATOM 646 OH TYR A 40 -1.483 3.060 0.470 1.00 0.00 O ATOM 0 H TYR A 40 -4.723 1.928 6.392 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.773 2.459 6.501 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.238 4.161 5.857 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.689 4.901 6.209 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.520 2.704 3.852 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.821 4.729 4.661 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.788 2.299 1.516 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.087 4.323 2.327 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.591 3.443 0.336 1.00 0.00 H new ATOM 656 N SER A 41 -1.775 3.708 8.695 1.00 0.00 N ATOM 657 CA SER A 41 -1.738 4.164 10.114 1.00 0.00 C ATOM 658 C SER A 41 -0.428 4.925 10.348 1.00 0.00 C ATOM 659 O SER A 41 0.581 4.627 9.743 1.00 0.00 O ATOM 660 CB SER A 41 -1.801 2.947 11.037 1.00 0.00 C ATOM 661 OG SER A 41 -1.062 3.213 12.223 1.00 0.00 O ATOM 0 H SER A 41 -0.895 3.812 8.190 1.00 0.00 H new ATOM 0 HA SER A 41 -2.586 4.815 10.324 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.838 2.719 11.285 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.394 2.072 10.531 1.00 0.00 H new ATOM 0 HG SER A 41 -1.678 3.465 12.942 1.00 0.00 H new ATOM 667 N TRP A 42 -0.431 5.909 11.218 1.00 0.00 N ATOM 668 CA TRP A 42 0.820 6.690 11.483 1.00 0.00 C ATOM 669 C TRP A 42 1.412 6.252 12.828 1.00 0.00 C ATOM 670 O TRP A 42 2.612 6.271 13.023 1.00 0.00 O ATOM 671 CB TRP A 42 0.478 8.186 11.561 1.00 0.00 C ATOM 672 CG TRP A 42 0.328 8.773 10.193 1.00 0.00 C ATOM 673 CD1 TRP A 42 -0.854 9.092 9.615 1.00 0.00 C ATOM 674 CD2 TRP A 42 1.367 9.142 9.234 1.00 0.00 C ATOM 675 NE1 TRP A 42 -0.608 9.637 8.367 1.00 0.00 N ATOM 676 CE2 TRP A 42 0.744 9.687 8.086 1.00 0.00 C ATOM 677 CE3 TRP A 42 2.773 9.057 9.248 1.00 0.00 C ATOM 678 CZ2 TRP A 42 1.488 10.136 6.993 1.00 0.00 C ATOM 679 CZ3 TRP A 42 3.525 9.505 8.147 1.00 0.00 C ATOM 680 CH2 TRP A 42 2.883 10.045 7.023 1.00 0.00 C ATOM 0 H TRP A 42 -1.246 6.204 11.756 1.00 0.00 H new ATOM 0 HA TRP A 42 1.537 6.512 10.681 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.446 8.323 12.123 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.262 8.714 12.103 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.829 8.945 10.056 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.336 9.962 7.732 1.00 0.00 H new ATOM 0 HE3 TRP A 42 3.277 8.645 10.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.989 10.551 6.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.602 9.433 8.167 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.465 10.390 6.182 1.00 0.00 H new ATOM 691 N LYS A 43 0.578 5.883 13.764 1.00 0.00 N ATOM 692 CA LYS A 43 1.080 5.471 15.109 1.00 0.00 C ATOM 693 C LYS A 43 1.220 3.946 15.171 1.00 0.00 C ATOM 694 O LYS A 43 0.256 3.222 15.020 1.00 0.00 O ATOM 695 CB LYS A 43 0.077 5.922 16.179 1.00 0.00 C ATOM 696 CG LYS A 43 -0.245 7.420 16.024 1.00 0.00 C ATOM 697 CD LYS A 43 -1.578 7.753 16.724 1.00 0.00 C ATOM 698 CE LYS A 43 -1.638 7.116 18.112 1.00 0.00 C ATOM 699 NZ LYS A 43 -0.329 7.292 18.806 1.00 0.00 N ATOM 0 H LYS A 43 -0.436 5.849 13.654 1.00 0.00 H new ATOM 0 HA LYS A 43 2.052 5.931 15.285 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.839 5.337 16.096 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.487 5.733 17.171 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.559 8.019 16.453 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.306 7.679 14.967 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.688 8.834 16.810 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.411 7.395 16.119 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.435 7.574 18.698 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.874 6.055 18.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.108 6.435 19.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.418 7.456 18.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.384 8.108 19.449 1.00 0.00 H new ATOM 713 N LEU A 44 2.405 3.449 15.409 1.00 0.00 N ATOM 714 CA LEU A 44 2.582 1.971 15.498 1.00 0.00 C ATOM 715 C LEU A 44 1.899 1.477 16.774 1.00 0.00 C ATOM 716 O LEU A 44 1.513 0.334 16.883 1.00 0.00 O ATOM 717 CB LEU A 44 4.079 1.628 15.540 1.00 0.00 C ATOM 718 CG LEU A 44 4.283 0.121 15.764 1.00 0.00 C ATOM 719 CD1 LEU A 44 3.537 -0.681 14.688 1.00 0.00 C ATOM 720 CD2 LEU A 44 5.780 -0.196 15.688 1.00 0.00 C ATOM 0 H LEU A 44 3.253 3.999 15.545 1.00 0.00 H new ATOM 0 HA LEU A 44 2.138 1.488 14.627 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.553 1.930 14.606 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.564 2.189 16.339 1.00 0.00 H new ATOM 0 HG LEU A 44 3.891 -0.153 16.743 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.689 -1.747 14.858 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.472 -0.454 14.738 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.919 -0.412 13.703 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.934 -1.263 15.846 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.162 0.085 14.706 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.310 0.365 16.458 1.00 0.00 H new ATOM 732 N VAL A 45 1.739 2.344 17.737 1.00 0.00 N ATOM 733 CA VAL A 45 1.072 1.950 19.014 1.00 0.00 C ATOM 734 C VAL A 45 0.243 3.136 19.502 1.00 0.00 C ATOM 735 O VAL A 45 0.541 4.275 19.201 1.00 0.00 O ATOM 736 CB VAL A 45 2.137 1.557 20.047 1.00 0.00 C ATOM 737 CG1 VAL A 45 3.239 0.755 19.351 1.00 0.00 C ATOM 738 CG2 VAL A 45 2.748 2.810 20.690 1.00 0.00 C ATOM 0 H VAL A 45 2.044 3.316 17.694 1.00 0.00 H new ATOM 0 HA VAL A 45 0.418 1.091 18.863 1.00 0.00 H new ATOM 0 HB VAL A 45 1.671 0.954 20.826 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.999 0.473 20.080 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.810 -0.143 18.907 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.694 1.364 18.570 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.501 2.514 21.420 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.212 3.425 19.919 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.965 3.382 21.188 1.00 0.00 H new ATOM 748 N ALA A 46 -0.804 2.886 20.225 1.00 0.00 N ATOM 749 CA ALA A 46 -1.650 4.012 20.690 1.00 0.00 C ATOM 750 C ALA A 46 -0.912 4.803 21.770 1.00 0.00 C ATOM 751 O ALA A 46 -1.322 4.865 22.913 1.00 0.00 O ATOM 752 CB ALA A 46 -2.986 3.461 21.208 1.00 0.00 C ATOM 0 H ALA A 46 -1.111 1.957 20.514 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.857 4.692 19.863 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.611 4.285 21.551 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.496 2.929 20.405 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.801 2.777 22.036 1.00 0.00 H new ATOM 758 N THR A 47 0.173 5.425 21.394 1.00 0.00 N ATOM 759 CA THR A 47 0.960 6.244 22.358 1.00 0.00 C ATOM 760 C THR A 47 1.671 7.357 21.582 1.00 0.00 C ATOM 761 O THR A 47 1.861 8.453 22.073 1.00 0.00 O ATOM 762 CB THR A 47 1.993 5.365 23.069 1.00 0.00 C ATOM 763 OG1 THR A 47 1.388 4.135 23.445 1.00 0.00 O ATOM 764 CG2 THR A 47 2.500 6.086 24.316 1.00 0.00 C ATOM 0 H THR A 47 0.551 5.399 20.447 1.00 0.00 H new ATOM 0 HA THR A 47 0.296 6.676 23.107 1.00 0.00 H new ATOM 0 HB THR A 47 2.829 5.168 22.398 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.048 3.571 23.899 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.235 5.462 24.823 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.962 7.030 24.028 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.665 6.282 24.988 1.00 0.00 H new ATOM 772 N ASP A 48 2.061 7.077 20.367 1.00 0.00 N ATOM 773 CA ASP A 48 2.757 8.096 19.535 1.00 0.00 C ATOM 774 C ASP A 48 1.778 9.223 19.178 1.00 0.00 C ATOM 775 O ASP A 48 0.743 9.375 19.793 1.00 0.00 O ATOM 776 CB ASP A 48 3.264 7.416 18.258 1.00 0.00 C ATOM 777 CG ASP A 48 4.547 6.637 18.562 1.00 0.00 C ATOM 778 OD1 ASP A 48 5.601 7.251 18.561 1.00 0.00 O ATOM 779 OD2 ASP A 48 4.453 5.443 18.790 1.00 0.00 O ATOM 0 H ASP A 48 1.924 6.174 19.912 1.00 0.00 H new ATOM 0 HA ASP A 48 3.596 8.523 20.084 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.502 6.742 17.866 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.455 8.163 17.488 1.00 0.00 H new ATOM 784 N ARG A 49 2.104 10.017 18.184 1.00 0.00 N ATOM 785 CA ARG A 49 1.203 11.143 17.773 1.00 0.00 C ATOM 786 C ARG A 49 1.109 11.182 16.242 1.00 0.00 C ATOM 787 O ARG A 49 1.469 10.238 15.572 1.00 0.00 O ATOM 788 CB ARG A 49 1.784 12.469 18.284 1.00 0.00 C ATOM 789 CG ARG A 49 1.490 12.629 19.786 1.00 0.00 C ATOM 790 CD ARG A 49 0.056 13.167 19.999 1.00 0.00 C ATOM 791 NE ARG A 49 0.084 14.655 20.215 1.00 0.00 N ATOM 792 CZ ARG A 49 0.768 15.200 21.187 1.00 0.00 C ATOM 793 NH1 ARG A 49 1.360 14.452 22.079 1.00 0.00 N ATOM 794 NH2 ARG A 49 0.833 16.499 21.284 1.00 0.00 N ATOM 0 H ARG A 49 2.961 9.933 17.637 1.00 0.00 H new ATOM 0 HA ARG A 49 0.210 10.993 18.196 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.860 12.495 18.111 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.352 13.302 17.730 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.604 11.669 20.290 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.212 13.312 20.234 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.561 12.930 19.132 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.400 12.676 20.859 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.446 15.257 19.585 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.290 13.436 22.020 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.892 14.884 22.835 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.351 17.086 20.603 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.366 16.928 22.041 1.00 0.00 H new ATOM 808 N VAL A 50 0.634 12.272 15.688 1.00 0.00 N ATOM 809 CA VAL A 50 0.514 12.380 14.200 1.00 0.00 C ATOM 810 C VAL A 50 0.520 13.871 13.802 1.00 0.00 C ATOM 811 O VAL A 50 -0.345 14.615 14.217 1.00 0.00 O ATOM 812 CB VAL A 50 -0.816 11.762 13.737 1.00 0.00 C ATOM 813 CG1 VAL A 50 -0.818 10.267 14.041 1.00 0.00 C ATOM 814 CG2 VAL A 50 -1.999 12.439 14.457 1.00 0.00 C ATOM 0 H VAL A 50 0.323 13.094 16.205 1.00 0.00 H new ATOM 0 HA VAL A 50 1.348 11.854 13.735 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.923 11.916 12.663 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.761 9.830 13.712 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.007 9.787 13.514 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.701 10.114 15.114 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.934 11.992 14.120 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.898 12.300 15.533 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.003 13.505 14.228 1.00 0.00 H new ATOM 824 N PRO A 51 1.471 14.322 13.009 1.00 0.00 N ATOM 825 CA PRO A 51 1.526 15.750 12.585 1.00 0.00 C ATOM 826 C PRO A 51 0.150 16.301 12.212 1.00 0.00 C ATOM 827 O PRO A 51 -0.672 15.619 11.641 1.00 0.00 O ATOM 828 CB PRO A 51 2.459 15.729 11.373 1.00 0.00 C ATOM 829 CG PRO A 51 3.394 14.590 11.635 1.00 0.00 C ATOM 830 CD PRO A 51 2.592 13.549 12.432 1.00 0.00 C ATOM 0 HA PRO A 51 1.875 16.401 13.386 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.903 15.580 10.447 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.999 16.670 11.273 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.762 14.166 10.701 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.266 14.924 12.198 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.233 12.745 11.789 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.200 13.088 13.210 1.00 0.00 H new ATOM 838 N ALA A 52 -0.101 17.532 12.539 1.00 0.00 N ATOM 839 CA ALA A 52 -1.415 18.142 12.213 1.00 0.00 C ATOM 840 C ALA A 52 -1.709 17.975 10.719 1.00 0.00 C ATOM 841 O ALA A 52 -0.825 17.706 9.931 1.00 0.00 O ATOM 842 CB ALA A 52 -1.363 19.625 12.572 1.00 0.00 C ATOM 0 H ALA A 52 0.553 18.148 13.022 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.206 17.651 12.780 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.321 20.090 12.339 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.156 19.735 13.637 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.575 20.111 11.997 1.00 0.00 H new ATOM 848 N GLY A 53 -2.943 18.138 10.321 1.00 0.00 N ATOM 849 CA GLY A 53 -3.292 17.995 8.876 1.00 0.00 C ATOM 850 C GLY A 53 -3.515 16.518 8.540 1.00 0.00 C ATOM 851 O GLY A 53 -4.086 16.185 7.520 1.00 0.00 O ATOM 0 H GLY A 53 -3.726 18.364 10.935 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.191 18.568 8.651 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.492 18.401 8.257 1.00 0.00 H new ATOM 855 N LYS A 54 -3.070 15.630 9.386 1.00 0.00 N ATOM 856 CA LYS A 54 -3.250 14.174 9.120 1.00 0.00 C ATOM 857 C LYS A 54 -4.614 13.722 9.656 1.00 0.00 C ATOM 858 O LYS A 54 -5.199 14.353 10.514 1.00 0.00 O ATOM 859 CB LYS A 54 -2.130 13.403 9.834 1.00 0.00 C ATOM 860 CG LYS A 54 -0.836 13.404 9.000 1.00 0.00 C ATOM 861 CD LYS A 54 -0.490 14.812 8.492 1.00 0.00 C ATOM 862 CE LYS A 54 0.824 14.754 7.710 1.00 0.00 C ATOM 863 NZ LYS A 54 1.047 16.054 7.017 1.00 0.00 N ATOM 0 H LYS A 54 -2.586 15.852 10.256 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.207 13.980 8.048 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.939 13.853 10.808 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.449 12.376 10.014 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.013 13.022 9.604 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.949 12.728 8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.290 15.189 7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.398 15.502 9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.653 14.543 8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.791 13.943 6.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.940 16.015 6.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.261 16.237 6.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.096 16.818 7.720 1.00 0.00 H new ATOM 877 N ARG A 55 -5.121 12.629 9.153 1.00 0.00 N ATOM 878 CA ARG A 55 -6.443 12.125 9.623 1.00 0.00 C ATOM 879 C ARG A 55 -6.253 11.403 10.959 1.00 0.00 C ATOM 880 O ARG A 55 -5.591 10.385 11.035 1.00 0.00 O ATOM 881 CB ARG A 55 -7.010 11.131 8.599 1.00 0.00 C ATOM 882 CG ARG A 55 -7.067 11.768 7.198 1.00 0.00 C ATOM 883 CD ARG A 55 -8.345 12.603 7.051 1.00 0.00 C ATOM 884 NE ARG A 55 -8.503 13.043 5.624 1.00 0.00 N ATOM 885 CZ ARG A 55 -7.580 13.734 5.009 1.00 0.00 C ATOM 886 NH1 ARG A 55 -6.572 14.235 5.670 1.00 0.00 N ATOM 887 NH2 ARG A 55 -7.695 13.973 3.733 1.00 0.00 N ATOM 0 H ARG A 55 -4.674 12.061 8.433 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.131 12.962 9.740 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.390 10.235 8.572 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -8.009 10.818 8.903 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.191 12.398 7.040 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.042 10.990 6.435 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.211 12.017 7.359 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.300 13.473 7.707 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.355 12.796 5.121 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.499 14.089 6.677 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.857 14.773 5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.503 13.621 3.219 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.977 14.512 3.248 1.00 0.00 H new ATOM 901 N ASP A 56 -6.825 11.914 12.016 1.00 0.00 N ATOM 902 CA ASP A 56 -6.672 11.246 13.340 1.00 0.00 C ATOM 903 C ASP A 56 -6.958 9.752 13.186 1.00 0.00 C ATOM 904 O ASP A 56 -7.802 9.351 12.409 1.00 0.00 O ATOM 905 CB ASP A 56 -7.656 11.855 14.341 1.00 0.00 C ATOM 906 CG ASP A 56 -9.063 11.858 13.740 1.00 0.00 C ATOM 907 OD1 ASP A 56 -9.219 11.344 12.644 1.00 0.00 O ATOM 908 OD2 ASP A 56 -9.960 12.374 14.385 1.00 0.00 O ATOM 0 H ASP A 56 -7.390 12.763 12.020 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.655 11.389 13.705 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.647 11.283 15.269 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.354 12.872 14.590 1.00 0.00 H new ATOM 913 N ALA A 57 -6.258 8.923 13.909 1.00 0.00 N ATOM 914 CA ALA A 57 -6.496 7.460 13.785 1.00 0.00 C ATOM 915 C ALA A 57 -5.920 6.740 15.002 1.00 0.00 C ATOM 916 O ALA A 57 -5.061 7.249 15.693 1.00 0.00 O ATOM 917 CB ALA A 57 -5.802 6.943 12.516 1.00 0.00 C ATOM 0 H ALA A 57 -5.536 9.194 14.576 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.568 7.270 13.726 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.973 5.871 12.419 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.209 7.455 11.644 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.731 7.135 12.583 1.00 0.00 H new ATOM 923 N ILE A 58 -6.373 5.546 15.247 1.00 0.00 N ATOM 924 CA ILE A 58 -5.844 4.766 16.390 1.00 0.00 C ATOM 925 C ILE A 58 -4.438 4.320 16.028 1.00 0.00 C ATOM 926 O ILE A 58 -3.759 4.960 15.250 1.00 0.00 O ATOM 927 CB ILE A 58 -6.724 3.532 16.591 1.00 0.00 C ATOM 928 CG1 ILE A 58 -6.679 2.669 15.316 1.00 0.00 C ATOM 929 CG2 ILE A 58 -8.162 3.972 16.855 1.00 0.00 C ATOM 930 CD1 ILE A 58 -7.763 1.574 15.353 1.00 0.00 C ATOM 0 H ILE A 58 -7.093 5.075 14.699 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.837 5.362 17.302 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.360 2.954 17.440 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.824 3.301 14.440 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.696 2.209 15.218 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.791 3.093 16.999 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.194 4.592 17.751 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.529 4.546 16.004 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.710 0.979 14.442 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.600 0.930 16.217 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.747 2.038 15.427 1.00 0.00 H new ATOM 942 N SER A 59 -4.004 3.215 16.562 1.00 0.00 N ATOM 943 CA SER A 59 -2.649 2.702 16.230 1.00 0.00 C ATOM 944 C SER A 59 -2.795 1.517 15.290 1.00 0.00 C ATOM 945 O SER A 59 -3.768 0.789 15.335 1.00 0.00 O ATOM 946 CB SER A 59 -1.947 2.257 17.502 1.00 0.00 C ATOM 947 OG SER A 59 -2.366 0.941 17.836 1.00 0.00 O ATOM 0 H SER A 59 -4.534 2.642 17.219 1.00 0.00 H new ATOM 0 HA SER A 59 -2.061 3.486 15.754 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.866 2.282 17.362 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.179 2.942 18.317 1.00 0.00 H new ATOM 0 HG SER A 59 -1.913 0.652 18.655 1.00 0.00 H new ATOM 953 N LEU A 60 -1.842 1.322 14.433 1.00 0.00 N ATOM 954 CA LEU A 60 -1.926 0.192 13.478 1.00 0.00 C ATOM 955 C LEU A 60 -2.296 -1.091 14.236 1.00 0.00 C ATOM 956 O LEU A 60 -3.057 -1.908 13.759 1.00 0.00 O ATOM 957 CB LEU A 60 -0.564 0.018 12.800 1.00 0.00 C ATOM 958 CG LEU A 60 -0.563 -1.224 11.899 1.00 0.00 C ATOM 959 CD1 LEU A 60 -1.771 -1.189 10.947 1.00 0.00 C ATOM 960 CD2 LEU A 60 0.741 -1.254 11.086 1.00 0.00 C ATOM 0 H LEU A 60 -1.005 1.899 14.352 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.689 0.394 12.726 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.331 0.903 12.208 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.215 -0.074 13.556 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.632 -2.119 12.517 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.760 -2.075 10.312 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.692 -1.171 11.529 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.718 -0.296 10.324 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.749 -2.134 10.443 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.808 -0.356 10.472 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.592 -1.293 11.765 1.00 0.00 H new ATOM 972 N ARG A 61 -1.757 -1.274 15.413 1.00 0.00 N ATOM 973 CA ARG A 61 -2.068 -2.500 16.201 1.00 0.00 C ATOM 974 C ARG A 61 -3.565 -2.534 16.542 1.00 0.00 C ATOM 975 O ARG A 61 -4.159 -3.593 16.615 1.00 0.00 O ATOM 976 CB ARG A 61 -1.215 -2.493 17.491 1.00 0.00 C ATOM 977 CG ARG A 61 -0.023 -3.451 17.353 1.00 0.00 C ATOM 978 CD ARG A 61 0.905 -2.960 16.244 1.00 0.00 C ATOM 979 NE ARG A 61 2.181 -3.756 16.250 1.00 0.00 N ATOM 980 CZ ARG A 61 2.976 -3.782 17.288 1.00 0.00 C ATOM 981 NH1 ARG A 61 2.767 -2.991 18.306 1.00 0.00 N ATOM 982 NH2 ARG A 61 4.013 -4.573 17.287 1.00 0.00 N ATOM 0 H ARG A 61 -1.113 -0.624 15.863 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.831 -3.390 15.618 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.856 -1.483 17.691 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.829 -2.788 18.342 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.520 -3.509 18.296 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.377 -4.457 17.126 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.412 -3.056 15.277 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.126 -1.902 16.386 1.00 0.00 H new ATOM 0 HE ARG A 61 2.434 -4.292 15.420 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.978 -2.345 18.296 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.393 -3.019 19.111 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.200 -5.167 16.479 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.637 -4.597 18.094 1.00 0.00 H new ATOM 996 N GLU A 62 -4.192 -1.404 16.742 1.00 0.00 N ATOM 997 CA GLU A 62 -5.645 -1.437 17.059 1.00 0.00 C ATOM 998 C GLU A 62 -6.399 -1.765 15.769 1.00 0.00 C ATOM 999 O GLU A 62 -7.376 -2.484 15.777 1.00 0.00 O ATOM 1000 CB GLU A 62 -6.093 -0.091 17.624 1.00 0.00 C ATOM 1001 CG GLU A 62 -5.345 0.183 18.931 1.00 0.00 C ATOM 1002 CD GLU A 62 -5.885 -0.730 20.032 1.00 0.00 C ATOM 1003 OE1 GLU A 62 -5.450 -1.868 20.096 1.00 0.00 O ATOM 1004 OE2 GLU A 62 -6.724 -0.277 20.792 1.00 0.00 O ATOM 0 H GLU A 62 -3.768 -0.477 16.700 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.854 -2.195 17.814 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.894 0.703 16.904 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.168 -0.098 17.802 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.277 0.012 18.794 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.466 1.227 19.219 1.00 0.00 H new ATOM 1011 N LYS A 63 -5.920 -1.283 14.651 1.00 0.00 N ATOM 1012 CA LYS A 63 -6.583 -1.616 13.359 1.00 0.00 C ATOM 1013 C LYS A 63 -6.340 -3.097 13.093 1.00 0.00 C ATOM 1014 O LYS A 63 -7.257 -3.889 13.019 1.00 0.00 O ATOM 1015 CB LYS A 63 -5.971 -0.789 12.224 1.00 0.00 C ATOM 1016 CG LYS A 63 -6.347 0.683 12.402 1.00 0.00 C ATOM 1017 CD LYS A 63 -6.067 1.449 11.105 1.00 0.00 C ATOM 1018 CE LYS A 63 -6.035 2.954 11.390 1.00 0.00 C ATOM 1019 NZ LYS A 63 -6.268 3.702 10.122 1.00 0.00 N ATOM 0 H LYS A 63 -5.103 -0.677 14.579 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.649 -1.395 13.410 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.887 -0.900 12.223 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.330 -1.153 11.261 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.401 0.770 12.666 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.776 1.117 13.223 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.115 1.129 10.681 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.836 1.225 10.366 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.798 3.213 12.124 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.073 3.234 11.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.565 4.674 10.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.389 3.726 9.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.013 3.229 9.572 1.00 0.00 H new ATOM 1033 N ILE A 64 -5.095 -3.472 12.979 1.00 0.00 N ATOM 1034 CA ILE A 64 -4.741 -4.901 12.744 1.00 0.00 C ATOM 1035 C ILE A 64 -5.572 -5.779 13.694 1.00 0.00 C ATOM 1036 O ILE A 64 -6.079 -6.819 13.319 1.00 0.00 O ATOM 1037 CB ILE A 64 -3.220 -5.069 13.010 1.00 0.00 C ATOM 1038 CG1 ILE A 64 -2.439 -4.799 11.711 1.00 0.00 C ATOM 1039 CG2 ILE A 64 -2.884 -6.483 13.514 1.00 0.00 C ATOM 1040 CD1 ILE A 64 -0.926 -4.759 11.983 1.00 0.00 C ATOM 0 H ILE A 64 -4.297 -2.840 13.040 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.959 -5.203 11.720 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.935 -4.355 13.782 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.661 -5.576 10.979 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.761 -3.852 11.278 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.811 -6.562 13.689 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.418 -6.674 14.445 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.184 -7.217 12.766 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.394 -4.567 11.051 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.706 -3.965 12.697 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.605 -5.716 12.394 1.00 0.00 H new ATOM 1052 N ALA A 65 -5.701 -5.361 14.920 1.00 0.00 N ATOM 1053 CA ALA A 65 -6.483 -6.151 15.913 1.00 0.00 C ATOM 1054 C ALA A 65 -7.911 -6.385 15.407 1.00 0.00 C ATOM 1055 O ALA A 65 -8.489 -7.430 15.628 1.00 0.00 O ATOM 1056 CB ALA A 65 -6.538 -5.382 17.233 1.00 0.00 C ATOM 0 H ALA A 65 -5.295 -4.498 15.282 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.998 -7.116 16.059 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.109 -5.954 17.964 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.526 -5.225 17.605 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.019 -4.417 17.072 1.00 0.00 H new ATOM 1062 N GLU A 66 -8.490 -5.424 14.741 1.00 0.00 N ATOM 1063 CA GLU A 66 -9.883 -5.605 14.243 1.00 0.00 C ATOM 1064 C GLU A 66 -9.883 -6.587 13.073 1.00 0.00 C ATOM 1065 O GLU A 66 -10.826 -7.326 12.867 1.00 0.00 O ATOM 1066 CB GLU A 66 -10.441 -4.260 13.775 1.00 0.00 C ATOM 1067 CG GLU A 66 -10.582 -3.321 14.974 1.00 0.00 C ATOM 1068 CD GLU A 66 -11.285 -2.035 14.536 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -12.074 -2.103 13.607 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -11.025 -1.007 15.136 1.00 0.00 O ATOM 0 H GLU A 66 -8.061 -4.525 14.521 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.505 -5.996 15.048 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.779 -3.819 13.030 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.409 -4.403 13.296 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.152 -3.808 15.765 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.600 -3.089 15.385 1.00 0.00 H new ATOM 1077 N LEU A 67 -8.831 -6.600 12.307 1.00 0.00 N ATOM 1078 CA LEU A 67 -8.761 -7.533 11.149 1.00 0.00 C ATOM 1079 C LEU A 67 -8.665 -8.967 11.669 1.00 0.00 C ATOM 1080 O LEU A 67 -9.207 -9.889 11.092 1.00 0.00 O ATOM 1081 CB LEU A 67 -7.526 -7.208 10.301 1.00 0.00 C ATOM 1082 CG LEU A 67 -7.385 -5.689 10.148 1.00 0.00 C ATOM 1083 CD1 LEU A 67 -6.152 -5.369 9.298 1.00 0.00 C ATOM 1084 CD2 LEU A 67 -8.635 -5.123 9.468 1.00 0.00 C ATOM 0 H LEU A 67 -8.013 -6.003 12.432 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.655 -7.425 10.534 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.633 -7.620 10.771 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.614 -7.675 9.320 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.272 -5.237 11.134 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.054 -4.289 9.191 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.262 -5.767 9.784 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.261 -5.823 8.313 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.533 -4.043 9.360 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.751 -5.577 8.484 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.512 -5.346 10.076 1.00 0.00 H new ATOM 1096 N GLN A 68 -7.978 -9.159 12.762 1.00 0.00 N ATOM 1097 CA GLN A 68 -7.841 -10.527 13.332 1.00 0.00 C ATOM 1098 C GLN A 68 -9.090 -10.860 14.151 1.00 0.00 C ATOM 1099 O GLN A 68 -9.403 -12.011 14.386 1.00 0.00 O ATOM 1100 CB GLN A 68 -6.604 -10.575 14.233 1.00 0.00 C ATOM 1101 CG GLN A 68 -5.342 -10.526 13.369 1.00 0.00 C ATOM 1102 CD GLN A 68 -4.130 -10.219 14.249 1.00 0.00 C ATOM 1103 OE1 GLN A 68 -4.276 -9.782 15.373 1.00 0.00 O ATOM 1104 NE2 GLN A 68 -2.930 -10.431 13.782 1.00 0.00 N ATOM 0 H GLN A 68 -7.504 -8.423 13.286 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.732 -11.255 12.528 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.614 -9.736 14.928 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.612 -11.485 14.832 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.201 -11.479 12.858 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.447 -9.763 12.597 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.808 -10.798 12.838 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.115 -10.230 14.361 1.00 0.00 H new