USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 681 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 10 LYS NZ :NH3+ 174:sc= 0.683 (180deg=0) USER MOD Set 1.2: A 61 GLN : amide:sc= 0.611 K(o=1.3,f=-1.6) USER MOD Set 2.1: A 36 ASN : amide:sc= -3.72! C(o=-3.7!,f=-16!) USER MOD Set 2.2: A 37 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 24 TYR OH : rot 152:sc= 0.134! USER MOD Set 3.2: A 57 TYR OH : rot -101:sc= 1.24 USER MOD Single : A 5 THR OG1 : rot -44:sc= -0.356! USER MOD Single : A 14 SER OG : rot -18:sc= 0.965 USER MOD Single : A 18 LYS NZ :NH3+ 156:sc= -0.222 (180deg=-1.25!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 132:sc= -0.0331 (180deg=-0.473) USER MOD Single : A 30 LYS NZ :NH3+ -149:sc= -0.0155 (180deg=-1.33!) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.578 F(o=-1.3,f=-0.58) USER MOD Single : A 35 HIS : no HD1:sc= -0.959 K(o=-0.96,f=-12!) USER MOD Single : A 38 ASN : amide:sc= -2.35! C(o=-2.3!,f=-6.7!) USER MOD Single : A 44 GLN : amide:sc= -2.15 X(o=-2.1,f=-2.2!) USER MOD Single : A 47 MET CE :methyl 169:sc=-0.00587 (180deg=-0.343) USER MOD Single : A 48 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-2.7!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -106:sc= 0.236 USER MOD Single : A 63 SER OG : rot -37:sc= 0.206 USER MOD Single : A 64 SER OG : rot -130:sc= -1.38 USER MOD Single : A 68 ASN : amide:sc= -4.64! C(o=-4.6!,f=-16!) USER MOD Single : A 75 THR OG1 : rot 4:sc= 0.22 USER MOD Single : A 76 GLN : amide:sc= -3.66! C(o=-3.7!,f=-6.9!) USER MOD Single : A 79 LYS NZ :NH3+ -164:sc= -0.0139 (180deg=-0.246) USER MOD ----------------------------------------------------------------- ATOM 27 N VAL A 3 -2.414 -15.119 16.286 1.00 0.00 N ATOM 28 CA VAL A 3 -1.178 -15.711 15.785 1.00 0.00 C ATOM 29 C VAL A 3 0.021 -15.181 16.564 1.00 0.00 C ATOM 30 O VAL A 3 1.171 -15.433 16.203 1.00 0.00 O ATOM 31 CB VAL A 3 -1.012 -15.385 14.290 1.00 0.00 C ATOM 32 CG1 VAL A 3 -0.114 -16.433 13.620 1.00 0.00 C ATOM 33 CG2 VAL A 3 -2.384 -15.393 13.614 1.00 0.00 C ATOM 0 HA VAL A 3 -1.231 -16.792 15.916 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.554 -14.401 14.189 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.002 -16.194 12.562 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.866 -16.431 14.098 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.566 -17.419 13.723 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.269 -15.162 12.555 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.838 -16.378 13.724 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.024 -14.644 14.081 1.00 0.00 H new ATOM 43 N TRP A 4 -0.253 -14.438 17.631 1.00 0.00 N ATOM 44 CA TRP A 4 0.813 -13.866 18.449 1.00 0.00 C ATOM 45 C TRP A 4 1.065 -14.740 19.671 1.00 0.00 C ATOM 46 O TRP A 4 0.158 -15.005 20.460 1.00 0.00 O ATOM 47 CB TRP A 4 0.407 -12.451 18.889 1.00 0.00 C ATOM 48 CG TRP A 4 0.793 -11.461 17.835 1.00 0.00 C ATOM 49 CD1 TRP A 4 0.868 -11.731 16.511 1.00 0.00 C ATOM 50 CD2 TRP A 4 1.160 -10.063 17.991 1.00 0.00 C ATOM 51 NE1 TRP A 4 1.260 -10.586 15.844 1.00 0.00 N ATOM 52 CE2 TRP A 4 1.452 -9.530 16.713 1.00 0.00 C ATOM 53 CE3 TRP A 4 1.267 -9.214 19.105 1.00 0.00 C ATOM 54 CZ2 TRP A 4 1.839 -8.202 16.548 1.00 0.00 C ATOM 55 CZ3 TRP A 4 1.655 -7.875 18.942 1.00 0.00 C ATOM 56 CH2 TRP A 4 1.941 -7.370 17.666 1.00 0.00 C ATOM 0 H TRP A 4 -1.197 -14.218 17.949 1.00 0.00 H new ATOM 0 HA TRP A 4 1.731 -13.817 17.864 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -0.668 -12.409 19.064 1.00 0.00 H new ATOM 0 HB3 TRP A 4 0.893 -12.200 19.832 1.00 0.00 H new ATOM 0 HD1 TRP A 4 0.656 -12.685 16.051 1.00 0.00 H new ATOM 0 HE1 TRP A 4 1.391 -10.528 14.834 1.00 0.00 H new ATOM 0 HE3 TRP A 4 1.050 -9.594 20.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 2.059 -7.818 15.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 1.734 -7.230 19.805 1.00 0.00 H new ATOM 0 HH2 TRP A 4 2.240 -6.339 17.547 1.00 0.00 H new ATOM 67 N THR A 5 2.312 -15.159 19.821 1.00 0.00 N ATOM 68 CA THR A 5 2.714 -15.986 20.945 1.00 0.00 C ATOM 69 C THR A 5 4.240 -16.100 20.989 1.00 0.00 C ATOM 70 O THR A 5 4.785 -17.188 21.182 1.00 0.00 O ATOM 71 CB THR A 5 2.094 -17.384 20.827 1.00 0.00 C ATOM 72 OG1 THR A 5 0.751 -17.269 20.383 1.00 0.00 O ATOM 73 CG2 THR A 5 2.122 -18.072 22.190 1.00 0.00 C ATOM 0 H THR A 5 3.067 -14.937 19.172 1.00 0.00 H new ATOM 0 HA THR A 5 2.361 -15.520 21.865 1.00 0.00 H new ATOM 0 HB THR A 5 2.665 -17.975 20.111 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.306 -16.545 20.871 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.681 -19.065 22.105 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.153 -18.161 22.532 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.551 -17.482 22.907 1.00 0.00 H new ATOM 81 N PRO A 6 4.931 -15.001 20.817 1.00 0.00 N ATOM 82 CA PRO A 6 6.427 -14.973 20.841 1.00 0.00 C ATOM 83 C PRO A 6 6.980 -15.340 22.220 1.00 0.00 C ATOM 84 O PRO A 6 6.222 -15.560 23.165 1.00 0.00 O ATOM 85 CB PRO A 6 6.759 -13.514 20.468 1.00 0.00 C ATOM 86 CG PRO A 6 5.545 -12.740 20.862 1.00 0.00 C ATOM 87 CD PRO A 6 4.369 -13.661 20.575 1.00 0.00 C ATOM 0 HA PRO A 6 6.874 -15.699 20.162 1.00 0.00 H new ATOM 0 HB2 PRO A 6 7.644 -13.161 20.998 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.964 -13.414 19.402 1.00 0.00 H new ATOM 0 HG2 PRO A 6 5.580 -12.464 21.916 1.00 0.00 H new ATOM 0 HG3 PRO A 6 5.467 -11.814 20.292 1.00 0.00 H new ATOM 0 HD2 PRO A 6 3.524 -13.453 21.231 1.00 0.00 H new ATOM 0 HD3 PRO A 6 4.012 -13.552 19.551 1.00 0.00 H new ATOM 95 N GLU A 7 8.302 -15.403 22.323 1.00 0.00 N ATOM 96 CA GLU A 7 8.949 -15.739 23.586 1.00 0.00 C ATOM 97 C GLU A 7 8.349 -14.899 24.716 1.00 0.00 C ATOM 98 O GLU A 7 8.508 -15.215 25.894 1.00 0.00 O ATOM 99 CB GLU A 7 10.454 -15.469 23.488 1.00 0.00 C ATOM 100 CG GLU A 7 11.152 -16.004 24.740 1.00 0.00 C ATOM 101 CD GLU A 7 12.661 -15.828 24.623 1.00 0.00 C ATOM 102 OE1 GLU A 7 13.089 -15.121 23.726 1.00 0.00 O ATOM 103 OE2 GLU A 7 13.367 -16.406 25.432 1.00 0.00 O ATOM 0 H GLU A 7 8.945 -15.227 21.551 1.00 0.00 H new ATOM 0 HA GLU A 7 8.787 -16.796 23.798 1.00 0.00 H new ATOM 0 HB2 GLU A 7 10.863 -15.948 22.598 1.00 0.00 H new ATOM 0 HB3 GLU A 7 10.636 -14.399 23.386 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.785 -15.478 25.621 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.912 -17.059 24.875 1.00 0.00 H new ATOM 110 N VAL A 8 7.659 -13.820 24.354 1.00 0.00 N ATOM 111 CA VAL A 8 7.061 -12.950 25.362 1.00 0.00 C ATOM 112 C VAL A 8 6.197 -13.775 26.304 1.00 0.00 C ATOM 113 O VAL A 8 6.333 -13.688 27.524 1.00 0.00 O ATOM 114 CB VAL A 8 6.186 -11.897 24.681 1.00 0.00 C ATOM 115 CG1 VAL A 8 5.623 -10.936 25.727 1.00 0.00 C ATOM 116 CG2 VAL A 8 7.019 -11.119 23.658 1.00 0.00 C ATOM 0 H VAL A 8 7.502 -13.531 23.388 1.00 0.00 H new ATOM 0 HA VAL A 8 7.856 -12.461 25.924 1.00 0.00 H new ATOM 0 HB VAL A 8 5.360 -12.392 24.171 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.000 -10.188 25.236 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.022 -11.493 26.446 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.444 -10.441 26.246 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.393 -10.369 23.174 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.850 -10.627 24.164 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.408 -11.807 22.907 1.00 0.00 H new ATOM 126 N LEU A 9 5.327 -14.596 25.732 1.00 0.00 N ATOM 127 CA LEU A 9 4.469 -15.453 26.536 1.00 0.00 C ATOM 128 C LEU A 9 5.314 -16.483 27.269 1.00 0.00 C ATOM 129 O LEU A 9 5.025 -16.844 28.408 1.00 0.00 O ATOM 130 CB LEU A 9 3.430 -16.160 25.657 1.00 0.00 C ATOM 131 CG LEU A 9 2.590 -17.135 26.504 1.00 0.00 C ATOM 132 CD1 LEU A 9 1.928 -16.389 27.676 1.00 0.00 C ATOM 133 CD2 LEU A 9 1.511 -17.767 25.618 1.00 0.00 C ATOM 0 H LEU A 9 5.198 -14.686 24.724 1.00 0.00 H new ATOM 0 HA LEU A 9 3.942 -14.834 27.262 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.780 -15.423 25.186 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.930 -16.702 24.855 1.00 0.00 H new ATOM 0 HG LEU A 9 3.239 -17.912 26.908 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.338 -17.090 28.266 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.698 -15.944 28.305 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.279 -15.605 27.288 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.912 -18.459 26.211 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.868 -16.985 25.214 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.984 -18.308 24.798 1.00 0.00 H new ATOM 145 N LYS A 10 6.351 -16.967 26.596 1.00 0.00 N ATOM 146 CA LYS A 10 7.222 -17.974 27.183 1.00 0.00 C ATOM 147 C LYS A 10 7.844 -17.447 28.469 1.00 0.00 C ATOM 148 O LYS A 10 7.857 -18.132 29.490 1.00 0.00 O ATOM 149 CB LYS A 10 8.332 -18.326 26.196 1.00 0.00 C ATOM 150 CG LYS A 10 9.141 -19.516 26.715 1.00 0.00 C ATOM 151 CD LYS A 10 8.267 -20.787 26.722 1.00 0.00 C ATOM 152 CE LYS A 10 9.146 -22.007 26.484 1.00 0.00 C ATOM 153 NZ LYS A 10 8.323 -23.244 26.618 1.00 0.00 N ATOM 0 H LYS A 10 6.607 -16.680 25.651 1.00 0.00 H new ATOM 0 HA LYS A 10 6.631 -18.862 27.409 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.902 -18.566 25.224 1.00 0.00 H new ATOM 0 HB3 LYS A 10 8.987 -17.467 26.052 1.00 0.00 H new ATOM 0 HG2 LYS A 10 10.018 -19.672 26.087 1.00 0.00 H new ATOM 0 HG3 LYS A 10 9.503 -19.308 27.722 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.748 -20.880 27.676 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.502 -20.720 25.948 1.00 0.00 H new ATOM 0 HE2 LYS A 10 9.592 -21.959 25.491 1.00 0.00 H new ATOM 0 HE3 LYS A 10 9.967 -22.023 27.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.896 -24.072 26.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.001 -23.342 27.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.497 -23.182 25.989 1.00 0.00 H new ATOM 167 N ALA A 11 8.354 -16.222 28.412 1.00 0.00 N ATOM 168 CA ALA A 11 8.969 -15.615 29.582 1.00 0.00 C ATOM 169 C ALA A 11 7.924 -15.385 30.665 1.00 0.00 C ATOM 170 O ALA A 11 8.182 -15.603 31.847 1.00 0.00 O ATOM 171 CB ALA A 11 9.613 -14.282 29.202 1.00 0.00 C ATOM 0 H ALA A 11 8.353 -15.636 27.577 1.00 0.00 H new ATOM 0 HA ALA A 11 9.735 -16.290 29.963 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.071 -13.835 30.084 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.377 -14.450 28.443 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.851 -13.609 28.808 1.00 0.00 H new ATOM 177 N ARG A 12 6.743 -14.943 30.252 1.00 0.00 N ATOM 178 CA ARG A 12 5.664 -14.687 31.195 1.00 0.00 C ATOM 179 C ARG A 12 5.205 -15.988 31.838 1.00 0.00 C ATOM 180 O ARG A 12 4.996 -16.056 33.050 1.00 0.00 O ATOM 181 CB ARG A 12 4.489 -14.027 30.465 1.00 0.00 C ATOM 182 CG ARG A 12 4.858 -12.590 30.050 1.00 0.00 C ATOM 183 CD ARG A 12 4.577 -11.613 31.198 1.00 0.00 C ATOM 184 NE ARG A 12 3.151 -11.585 31.488 1.00 0.00 N ATOM 185 CZ ARG A 12 2.666 -10.830 32.463 1.00 0.00 C ATOM 186 NH1 ARG A 12 3.473 -10.100 33.181 1.00 0.00 N ATOM 187 NH2 ARG A 12 1.384 -10.821 32.706 1.00 0.00 N ATOM 0 H ARG A 12 6.510 -14.756 29.277 1.00 0.00 H new ATOM 0 HA ARG A 12 6.028 -14.019 31.976 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.225 -14.611 29.583 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.612 -14.012 31.112 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.912 -12.544 29.774 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.285 -12.301 29.169 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.132 -11.914 32.087 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.922 -10.614 30.930 1.00 0.00 H new ATOM 0 HE ARG A 12 2.515 -12.156 30.932 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.475 -10.111 32.992 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.102 -9.518 33.932 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.755 -11.395 32.145 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.011 -10.240 33.457 1.00 0.00 H new ATOM 201 N ALA A 13 5.061 -17.023 31.020 1.00 0.00 N ATOM 202 CA ALA A 13 4.638 -18.321 31.522 1.00 0.00 C ATOM 203 C ALA A 13 5.714 -18.899 32.429 1.00 0.00 C ATOM 204 O ALA A 13 5.419 -19.481 33.474 1.00 0.00 O ATOM 205 CB ALA A 13 4.381 -19.274 30.354 1.00 0.00 C ATOM 0 H ALA A 13 5.230 -16.989 30.015 1.00 0.00 H new ATOM 0 HA ALA A 13 3.717 -18.198 32.091 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.065 -20.244 30.738 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.599 -18.864 29.715 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.296 -19.394 29.775 1.00 0.00 H new ATOM 211 N SER A 14 6.968 -18.725 32.020 1.00 0.00 N ATOM 212 CA SER A 14 8.102 -19.222 32.794 1.00 0.00 C ATOM 213 C SER A 14 8.597 -18.151 33.752 1.00 0.00 C ATOM 214 O SER A 14 9.588 -18.352 34.451 1.00 0.00 O ATOM 215 CB SER A 14 9.239 -19.628 31.860 1.00 0.00 C ATOM 216 OG SER A 14 10.329 -20.113 32.634 1.00 0.00 O ATOM 0 H SER A 14 7.224 -18.244 31.158 1.00 0.00 H new ATOM 0 HA SER A 14 7.774 -20.091 33.365 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.899 -20.397 31.167 1.00 0.00 H new ATOM 0 HB3 SER A 14 9.555 -18.775 31.260 1.00 0.00 H new ATOM 0 HG SER A 14 10.232 -19.810 33.561 1.00 0.00 H new ATOM 222 N VAL A 15 7.896 -17.018 33.771 1.00 0.00 N ATOM 223 CA VAL A 15 8.259 -15.901 34.642 1.00 0.00 C ATOM 224 C VAL A 15 9.585 -15.281 34.210 1.00 0.00 C ATOM 225 O VAL A 15 9.749 -14.059 34.241 1.00 0.00 O ATOM 226 CB VAL A 15 8.362 -16.376 36.098 1.00 0.00 C ATOM 227 CG1 VAL A 15 8.366 -15.164 37.033 1.00 0.00 C ATOM 228 CG2 VAL A 15 7.170 -17.283 36.432 1.00 0.00 C ATOM 0 H VAL A 15 7.073 -16.849 33.193 1.00 0.00 H new ATOM 0 HA VAL A 15 7.479 -15.144 34.563 1.00 0.00 H new ATOM 0 HB VAL A 15 9.287 -16.937 36.230 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.439 -15.502 38.067 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.218 -14.526 36.799 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.443 -14.599 36.900 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.247 -17.618 37.466 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.242 -16.728 36.298 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.174 -18.148 35.769 1.00 0.00 H new ATOM 238 N ILE A 16 10.534 -16.128 33.815 1.00 0.00 N ATOM 239 CA ILE A 16 11.849 -15.663 33.387 1.00 0.00 C ATOM 240 C ILE A 16 12.333 -16.457 32.178 1.00 0.00 C ATOM 241 O ILE A 16 12.059 -17.651 32.055 1.00 0.00 O ATOM 242 CB ILE A 16 12.840 -15.818 34.537 1.00 0.00 C ATOM 243 CG1 ILE A 16 14.191 -15.239 34.123 1.00 0.00 C ATOM 244 CG2 ILE A 16 13.001 -17.301 34.880 1.00 0.00 C ATOM 245 CD1 ILE A 16 15.084 -15.105 35.357 1.00 0.00 C ATOM 0 H ILE A 16 10.415 -17.141 33.783 1.00 0.00 H new ATOM 0 HA ILE A 16 11.776 -14.613 33.103 1.00 0.00 H new ATOM 0 HB ILE A 16 12.468 -15.285 35.412 1.00 0.00 H new ATOM 0 HG12 ILE A 16 14.666 -15.886 33.385 1.00 0.00 H new ATOM 0 HG13 ILE A 16 14.053 -14.266 33.652 1.00 0.00 H new ATOM 0 HG21 ILE A 16 13.709 -17.410 35.701 1.00 0.00 H new ATOM 0 HG22 ILE A 16 12.036 -17.713 35.176 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.373 -17.838 34.007 1.00 0.00 H new ATOM 0 HD11 ILE A 16 16.049 -14.692 35.064 1.00 0.00 H new ATOM 0 HD12 ILE A 16 14.609 -14.441 36.079 1.00 0.00 H new ATOM 0 HD13 ILE A 16 15.231 -16.086 35.808 1.00 0.00 H new ATOM 257 N GLY A 17 13.050 -15.783 31.286 1.00 0.00 N ATOM 258 CA GLY A 17 13.564 -16.433 30.088 1.00 0.00 C ATOM 259 C GLY A 17 14.236 -17.754 30.439 1.00 0.00 C ATOM 260 O GLY A 17 15.092 -17.812 31.321 1.00 0.00 O ATOM 0 H GLY A 17 13.287 -14.794 31.369 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.749 -16.609 29.386 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.278 -15.777 29.590 1.00 0.00 H new ATOM 264 N LYS A 18 13.839 -18.814 29.745 1.00 0.00 N ATOM 265 CA LYS A 18 14.404 -20.133 29.991 1.00 0.00 C ATOM 266 C LYS A 18 13.925 -21.124 28.932 1.00 0.00 C ATOM 267 O LYS A 18 13.267 -22.115 29.250 1.00 0.00 O ATOM 268 CB LYS A 18 13.993 -20.625 31.378 1.00 0.00 C ATOM 269 CG LYS A 18 14.851 -21.833 31.766 1.00 0.00 C ATOM 270 CD LYS A 18 14.539 -22.236 33.207 1.00 0.00 C ATOM 271 CE LYS A 18 15.592 -23.232 33.696 1.00 0.00 C ATOM 272 NZ LYS A 18 16.943 -22.608 33.613 1.00 0.00 N ATOM 0 H LYS A 18 13.131 -18.786 29.011 1.00 0.00 H new ATOM 0 HA LYS A 18 15.490 -20.060 29.940 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.117 -19.827 32.110 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.938 -20.899 31.381 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.651 -22.666 31.092 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.909 -21.589 31.666 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.530 -21.355 33.849 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.546 -22.682 33.265 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.379 -23.528 34.723 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.560 -24.138 33.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.583 -23.075 34.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.317 -22.716 32.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.873 -21.597 33.846 1.00 0.00 H new ATOM 286 N PRO A 19 14.236 -20.869 27.686 1.00 0.00 N ATOM 287 CA PRO A 19 13.827 -21.753 26.554 1.00 0.00 C ATOM 288 C PRO A 19 14.546 -23.100 26.584 1.00 0.00 C ATOM 289 O PRO A 19 15.621 -23.230 27.170 1.00 0.00 O ATOM 290 CB PRO A 19 14.192 -20.940 25.301 1.00 0.00 C ATOM 291 CG PRO A 19 15.288 -20.026 25.743 1.00 0.00 C ATOM 292 CD PRO A 19 15.015 -19.709 27.216 1.00 0.00 C ATOM 0 HA PRO A 19 12.769 -22.010 26.594 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.522 -21.590 24.490 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.334 -20.379 24.930 1.00 0.00 H new ATOM 0 HG2 PRO A 19 16.262 -20.500 25.621 1.00 0.00 H new ATOM 0 HG3 PRO A 19 15.300 -19.115 25.145 1.00 0.00 H new ATOM 0 HD2 PRO A 19 15.941 -19.594 27.779 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.457 -18.780 27.329 1.00 0.00 H new ATOM 300 N ILE A 20 13.943 -24.098 25.948 1.00 0.00 N ATOM 301 CA ILE A 20 14.534 -25.428 25.905 1.00 0.00 C ATOM 302 C ILE A 20 15.987 -25.348 25.453 1.00 0.00 C ATOM 303 O ILE A 20 16.335 -24.552 24.579 1.00 0.00 O ATOM 304 CB ILE A 20 13.745 -26.320 24.944 1.00 0.00 C ATOM 305 CG1 ILE A 20 14.344 -27.729 24.952 1.00 0.00 C ATOM 306 CG2 ILE A 20 13.823 -25.737 23.532 1.00 0.00 C ATOM 307 CD1 ILE A 20 13.377 -28.704 24.270 1.00 0.00 C ATOM 0 H ILE A 20 13.052 -24.012 25.459 1.00 0.00 H new ATOM 0 HA ILE A 20 14.498 -25.857 26.907 1.00 0.00 H new ATOM 0 HB ILE A 20 12.703 -26.368 25.259 1.00 0.00 H new ATOM 0 HG12 ILE A 20 15.303 -27.730 24.434 1.00 0.00 H new ATOM 0 HG13 ILE A 20 14.535 -28.048 25.977 1.00 0.00 H new ATOM 0 HG21 ILE A 20 13.262 -26.371 22.845 1.00 0.00 H new ATOM 0 HG22 ILE A 20 13.398 -24.733 23.529 1.00 0.00 H new ATOM 0 HG23 ILE A 20 14.865 -25.691 23.214 1.00 0.00 H new ATOM 0 HD11 ILE A 20 13.806 -29.706 24.277 1.00 0.00 H new ATOM 0 HD12 ILE A 20 12.429 -28.711 24.807 1.00 0.00 H new ATOM 0 HD13 ILE A 20 13.208 -28.389 23.240 1.00 0.00 H new ATOM 319 N GLY A 21 16.828 -26.180 26.056 1.00 0.00 N ATOM 320 CA GLY A 21 18.244 -26.209 25.715 1.00 0.00 C ATOM 321 C GLY A 21 18.429 -26.637 24.268 1.00 0.00 C ATOM 322 O GLY A 21 17.582 -27.335 23.715 1.00 0.00 O ATOM 0 H GLY A 21 16.554 -26.842 26.782 1.00 0.00 H new ATOM 0 HA2 GLY A 21 18.682 -25.223 25.869 1.00 0.00 H new ATOM 0 HA3 GLY A 21 18.770 -26.898 26.375 1.00 0.00 H new ATOM 326 N GLU A 22 19.535 -26.206 23.663 1.00 0.00 N ATOM 327 CA GLU A 22 19.839 -26.544 22.270 1.00 0.00 C ATOM 328 C GLU A 22 19.119 -25.586 21.320 1.00 0.00 C ATOM 329 O GLU A 22 18.168 -24.906 21.710 1.00 0.00 O ATOM 330 CB GLU A 22 19.423 -27.998 21.963 1.00 0.00 C ATOM 331 CG GLU A 22 20.244 -28.550 20.796 1.00 0.00 C ATOM 332 CD GLU A 22 19.823 -29.989 20.515 1.00 0.00 C ATOM 333 OE1 GLU A 22 19.111 -30.546 21.335 1.00 0.00 O ATOM 334 OE2 GLU A 22 20.212 -30.509 19.484 1.00 0.00 O ATOM 0 H GLU A 22 20.238 -25.621 24.115 1.00 0.00 H new ATOM 0 HA GLU A 22 20.915 -26.447 22.122 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.570 -28.620 22.846 1.00 0.00 H new ATOM 0 HB3 GLU A 22 18.361 -28.036 21.720 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.093 -27.936 19.908 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.307 -28.511 21.034 1.00 0.00 H new ATOM 341 N SER A 23 19.578 -25.546 20.075 1.00 0.00 N ATOM 342 CA SER A 23 18.973 -24.678 19.072 1.00 0.00 C ATOM 343 C SER A 23 17.592 -25.199 18.684 1.00 0.00 C ATOM 344 O SER A 23 16.790 -24.475 18.094 1.00 0.00 O ATOM 345 CB SER A 23 19.863 -24.596 17.832 1.00 0.00 C ATOM 346 OG SER A 23 20.983 -23.771 18.122 1.00 0.00 O ATOM 0 H SER A 23 20.364 -26.102 19.737 1.00 0.00 H new ATOM 0 HA SER A 23 18.869 -23.680 19.498 1.00 0.00 H new ATOM 0 HB2 SER A 23 20.195 -25.592 17.540 1.00 0.00 H new ATOM 0 HB3 SER A 23 19.302 -24.188 16.992 1.00 0.00 H new ATOM 0 HG SER A 23 21.561 -23.714 17.332 1.00 0.00 H new ATOM 352 N TYR A 24 17.321 -26.459 19.016 1.00 0.00 N ATOM 353 CA TYR A 24 16.032 -27.063 18.691 1.00 0.00 C ATOM 354 C TYR A 24 14.890 -26.125 19.076 1.00 0.00 C ATOM 355 O TYR A 24 13.746 -26.328 18.673 1.00 0.00 O ATOM 356 CB TYR A 24 15.871 -28.395 19.426 1.00 0.00 C ATOM 357 CG TYR A 24 14.671 -29.129 18.877 1.00 0.00 C ATOM 358 CD1 TYR A 24 14.809 -29.950 17.752 1.00 0.00 C ATOM 359 CD2 TYR A 24 13.419 -28.987 19.490 1.00 0.00 C ATOM 360 CE1 TYR A 24 13.699 -30.630 17.239 1.00 0.00 C ATOM 361 CE2 TYR A 24 12.309 -29.669 18.978 1.00 0.00 C ATOM 362 CZ TYR A 24 12.449 -30.491 17.852 1.00 0.00 C ATOM 363 OH TYR A 24 11.354 -31.161 17.346 1.00 0.00 O ATOM 0 H TYR A 24 17.970 -27.076 19.505 1.00 0.00 H new ATOM 0 HA TYR A 24 15.998 -27.240 17.616 1.00 0.00 H new ATOM 0 HB2 TYR A 24 16.769 -29.001 19.304 1.00 0.00 H new ATOM 0 HB3 TYR A 24 15.747 -28.221 20.495 1.00 0.00 H new ATOM 0 HD1 TYR A 24 15.774 -30.059 17.279 1.00 0.00 H new ATOM 0 HD2 TYR A 24 13.311 -28.352 20.357 1.00 0.00 H new ATOM 0 HE1 TYR A 24 13.807 -31.262 16.370 1.00 0.00 H new ATOM 0 HE2 TYR A 24 11.344 -29.562 19.451 1.00 0.00 H new ATOM 0 HH TYR A 24 10.714 -31.335 18.068 1.00 0.00 H new ATOM 373 N LYS A 25 15.215 -25.089 19.845 1.00 0.00 N ATOM 374 CA LYS A 25 14.216 -24.113 20.264 1.00 0.00 C ATOM 375 C LYS A 25 13.740 -23.293 19.068 1.00 0.00 C ATOM 376 O LYS A 25 13.104 -22.250 19.230 1.00 0.00 O ATOM 377 CB LYS A 25 14.815 -23.181 21.316 1.00 0.00 C ATOM 378 CG LYS A 25 15.954 -22.356 20.706 1.00 0.00 C ATOM 379 CD LYS A 25 16.638 -21.541 21.807 1.00 0.00 C ATOM 380 CE LYS A 25 17.796 -20.743 21.207 1.00 0.00 C ATOM 381 NZ LYS A 25 17.264 -19.749 20.232 1.00 0.00 N ATOM 0 H LYS A 25 16.158 -24.905 20.189 1.00 0.00 H new ATOM 0 HA LYS A 25 13.365 -24.645 20.689 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.043 -22.517 21.705 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.189 -23.764 22.158 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.676 -23.014 20.223 1.00 0.00 H new ATOM 0 HG3 LYS A 25 15.564 -21.691 19.935 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.920 -20.866 22.273 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.007 -22.204 22.589 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.348 -20.234 21.997 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.496 -21.415 20.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.689 -18.818 20.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.501 -20.050 19.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.231 -19.684 20.331 1.00 0.00 H new ATOM 395 N ARG A 26 14.054 -23.770 17.869 1.00 0.00 N ATOM 396 CA ARG A 26 13.664 -23.081 16.652 1.00 0.00 C ATOM 397 C ARG A 26 12.157 -23.032 16.540 1.00 0.00 C ATOM 398 O ARG A 26 11.587 -22.027 16.117 1.00 0.00 O ATOM 399 CB ARG A 26 14.249 -23.799 15.439 1.00 0.00 C ATOM 400 CG ARG A 26 13.904 -23.019 14.164 1.00 0.00 C ATOM 401 CD ARG A 26 14.522 -23.711 12.949 1.00 0.00 C ATOM 402 NE ARG A 26 13.921 -25.025 12.758 1.00 0.00 N ATOM 403 CZ ARG A 26 14.374 -25.860 11.831 1.00 0.00 C ATOM 404 NH1 ARG A 26 15.376 -25.512 11.072 1.00 0.00 N ATOM 405 NH2 ARG A 26 13.815 -27.030 11.678 1.00 0.00 N ATOM 0 H ARG A 26 14.578 -24.632 17.717 1.00 0.00 H new ATOM 0 HA ARG A 26 14.049 -22.062 16.686 1.00 0.00 H new ATOM 0 HB2 ARG A 26 15.331 -23.887 15.542 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.851 -24.812 15.377 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.822 -22.956 14.047 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.276 -21.997 14.240 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.371 -23.101 12.058 1.00 0.00 H new ATOM 0 HD3 ARG A 26 15.598 -23.812 13.087 1.00 0.00 H new ATOM 0 HE ARG A 26 13.138 -25.308 13.347 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.812 -24.598 11.191 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.724 -26.154 10.360 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.031 -27.302 12.271 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.163 -27.672 10.966 1.00 0.00 H new ATOM 419 N ILE A 27 11.510 -24.124 16.914 1.00 0.00 N ATOM 420 CA ILE A 27 10.066 -24.183 16.839 1.00 0.00 C ATOM 421 C ILE A 27 9.454 -23.007 17.578 1.00 0.00 C ATOM 422 O ILE A 27 8.468 -22.422 17.130 1.00 0.00 O ATOM 423 CB ILE A 27 9.562 -25.505 17.447 1.00 0.00 C ATOM 424 CG1 ILE A 27 8.014 -25.452 17.676 1.00 0.00 C ATOM 425 CG2 ILE A 27 10.312 -25.806 18.760 1.00 0.00 C ATOM 426 CD1 ILE A 27 7.661 -25.078 19.132 1.00 0.00 C ATOM 0 H ILE A 27 11.958 -24.969 17.268 1.00 0.00 H new ATOM 0 HA ILE A 27 9.766 -24.135 15.792 1.00 0.00 H new ATOM 0 HB ILE A 27 9.765 -26.315 16.746 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.571 -24.724 16.996 1.00 0.00 H new ATOM 0 HG13 ILE A 27 7.578 -26.421 17.434 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.947 -26.743 19.181 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.380 -25.890 18.558 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.140 -24.998 19.471 1.00 0.00 H new ATOM 0 HD11 ILE A 27 6.578 -25.052 19.249 1.00 0.00 H new ATOM 0 HD12 ILE A 27 8.081 -25.820 19.810 1.00 0.00 H new ATOM 0 HD13 ILE A 27 8.075 -24.097 19.366 1.00 0.00 H new ATOM 438 N LEU A 28 10.027 -22.690 18.725 1.00 0.00 N ATOM 439 CA LEU A 28 9.515 -21.605 19.541 1.00 0.00 C ATOM 440 C LEU A 28 9.663 -20.275 18.816 1.00 0.00 C ATOM 441 O LEU A 28 8.745 -19.457 18.798 1.00 0.00 O ATOM 442 CB LEU A 28 10.271 -21.559 20.874 1.00 0.00 C ATOM 443 CG LEU A 28 9.711 -20.441 21.766 1.00 0.00 C ATOM 444 CD1 LEU A 28 8.232 -20.712 22.094 1.00 0.00 C ATOM 445 CD2 LEU A 28 10.531 -20.374 23.060 1.00 0.00 C ATOM 0 H LEU A 28 10.843 -23.166 19.111 1.00 0.00 H new ATOM 0 HA LEU A 28 8.456 -21.780 19.731 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.183 -22.519 21.383 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.333 -21.391 20.692 1.00 0.00 H new ATOM 0 HG LEU A 28 9.779 -19.489 21.239 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.847 -19.912 22.727 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.656 -20.752 21.170 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.144 -21.664 22.618 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.139 -19.582 23.698 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.464 -21.328 23.583 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.573 -20.164 22.820 1.00 0.00 H new ATOM 457 N ALA A 29 10.837 -20.065 18.227 1.00 0.00 N ATOM 458 CA ALA A 29 11.116 -18.828 17.509 1.00 0.00 C ATOM 459 C ALA A 29 10.522 -18.879 16.110 1.00 0.00 C ATOM 460 O ALA A 29 10.345 -17.848 15.461 1.00 0.00 O ATOM 461 CB ALA A 29 12.628 -18.602 17.424 1.00 0.00 C ATOM 0 H ALA A 29 11.607 -20.734 18.233 1.00 0.00 H new ATOM 0 HA ALA A 29 10.660 -18.001 18.052 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.828 -17.675 16.886 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.043 -18.534 18.430 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.091 -19.435 16.896 1.00 0.00 H new ATOM 467 N LYS A 30 10.215 -20.085 15.650 1.00 0.00 N ATOM 468 CA LYS A 30 9.640 -20.261 14.324 1.00 0.00 C ATOM 469 C LYS A 30 8.418 -19.372 14.161 1.00 0.00 C ATOM 470 O LYS A 30 8.026 -19.031 13.046 1.00 0.00 O ATOM 471 CB LYS A 30 9.244 -21.720 14.120 1.00 0.00 C ATOM 472 CG LYS A 30 8.804 -21.931 12.671 1.00 0.00 C ATOM 473 CD LYS A 30 8.401 -23.394 12.455 1.00 0.00 C ATOM 474 CE LYS A 30 9.642 -24.296 12.383 1.00 0.00 C ATOM 475 NZ LYS A 30 9.251 -25.633 11.854 1.00 0.00 N ATOM 0 H LYS A 30 10.354 -20.950 16.172 1.00 0.00 H new ATOM 0 HA LYS A 30 10.384 -19.982 13.578 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.085 -22.372 14.355 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.435 -21.987 14.800 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.965 -21.276 12.438 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.615 -21.664 11.993 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.754 -23.722 13.269 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.825 -23.485 11.534 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.397 -23.844 11.739 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.088 -24.400 13.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.868 -26.363 12.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.263 -25.832 12.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.349 -25.639 10.819 1.00 0.00 H new ATOM 489 N LEU A 31 7.821 -18.996 15.283 1.00 0.00 N ATOM 490 CA LEU A 31 6.643 -18.145 15.253 1.00 0.00 C ATOM 491 C LEU A 31 6.977 -16.819 14.582 1.00 0.00 C ATOM 492 O LEU A 31 6.189 -16.295 13.795 1.00 0.00 O ATOM 493 CB LEU A 31 6.145 -17.888 16.680 1.00 0.00 C ATOM 494 CG LEU A 31 4.874 -17.022 16.649 1.00 0.00 C ATOM 495 CD1 LEU A 31 3.746 -17.751 15.891 1.00 0.00 C ATOM 496 CD2 LEU A 31 4.433 -16.728 18.086 1.00 0.00 C ATOM 0 H LEU A 31 8.130 -19.265 16.217 1.00 0.00 H new ATOM 0 HA LEU A 31 5.860 -18.648 14.685 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.937 -18.836 17.177 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.921 -17.388 17.260 1.00 0.00 H new ATOM 0 HG LEU A 31 5.088 -16.087 16.132 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.853 -17.126 15.878 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.065 -17.950 14.868 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.521 -18.693 16.391 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.532 -16.114 18.072 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.225 -17.665 18.602 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.227 -16.195 18.608 1.00 0.00 H new ATOM 508 N GLN A 32 8.149 -16.281 14.897 1.00 0.00 N ATOM 509 CA GLN A 32 8.572 -15.015 14.319 1.00 0.00 C ATOM 510 C GLN A 32 8.452 -15.064 12.800 1.00 0.00 C ATOM 511 O GLN A 32 8.055 -14.088 12.166 1.00 0.00 O ATOM 512 CB GLN A 32 10.021 -14.723 14.716 1.00 0.00 C ATOM 513 CG GLN A 32 10.103 -14.522 16.231 1.00 0.00 C ATOM 514 CD GLN A 32 9.360 -13.254 16.637 1.00 0.00 C ATOM 515 OE1 GLN A 32 8.406 -13.325 17.525 1.00 0.00 O flip ATOM 516 NE2 GLN A 32 9.652 -12.172 16.129 1.00 0.00 N flip ATOM 0 H GLN A 32 8.817 -16.699 15.544 1.00 0.00 H new ATOM 0 HA GLN A 32 7.928 -14.221 14.698 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.666 -15.547 14.412 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.378 -13.832 14.200 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.673 -15.383 16.743 1.00 0.00 H new ATOM 0 HG3 GLN A 32 11.146 -14.455 16.540 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.398 -12.119 15.435 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.148 -11.328 16.402 1.00 0.00 H new ATOM 525 N ARG A 33 8.789 -16.211 12.222 1.00 0.00 N ATOM 526 CA ARG A 33 8.699 -16.374 10.776 1.00 0.00 C ATOM 527 C ARG A 33 7.240 -16.323 10.334 1.00 0.00 C ATOM 528 O ARG A 33 6.906 -15.711 9.320 1.00 0.00 O ATOM 529 CB ARG A 33 9.321 -17.708 10.356 1.00 0.00 C ATOM 530 CG ARG A 33 9.302 -17.825 8.828 1.00 0.00 C ATOM 531 CD ARG A 33 9.934 -19.152 8.411 1.00 0.00 C ATOM 532 NE ARG A 33 11.356 -19.155 8.726 1.00 0.00 N ATOM 533 CZ ARG A 33 12.092 -20.248 8.559 1.00 0.00 C ATOM 534 NH1 ARG A 33 11.539 -21.345 8.119 1.00 0.00 N ATOM 535 NH2 ARG A 33 13.367 -20.225 8.836 1.00 0.00 N ATOM 0 H ARG A 33 9.123 -17.033 12.725 1.00 0.00 H new ATOM 0 HA ARG A 33 9.246 -15.561 10.297 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.345 -17.775 10.723 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.768 -18.535 10.801 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.277 -17.767 8.461 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.848 -16.994 8.382 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.439 -19.976 8.925 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.791 -19.311 7.342 1.00 0.00 H new ATOM 0 HE ARG A 33 11.793 -18.304 9.080 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.542 -21.363 7.904 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.104 -22.185 7.990 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.799 -19.368 9.181 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.932 -21.064 8.708 1.00 0.00 H new ATOM 549 N ILE A 34 6.376 -16.979 11.103 1.00 0.00 N ATOM 550 CA ILE A 34 4.953 -17.004 10.788 1.00 0.00 C ATOM 551 C ILE A 34 4.316 -15.650 11.090 1.00 0.00 C ATOM 552 O ILE A 34 3.289 -15.295 10.515 1.00 0.00 O ATOM 553 CB ILE A 34 4.254 -18.094 11.601 1.00 0.00 C ATOM 554 CG1 ILE A 34 4.784 -19.464 11.172 1.00 0.00 C ATOM 555 CG2 ILE A 34 2.744 -18.032 11.349 1.00 0.00 C ATOM 556 CD1 ILE A 34 4.296 -20.538 12.145 1.00 0.00 C ATOM 0 H ILE A 34 6.635 -17.497 11.943 1.00 0.00 H new ATOM 0 HA ILE A 34 4.839 -17.219 9.726 1.00 0.00 H new ATOM 0 HB ILE A 34 4.452 -17.940 12.662 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.445 -19.695 10.162 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.874 -19.451 11.148 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.246 -18.809 11.929 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.365 -17.056 11.650 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.545 -18.187 10.289 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.677 -21.511 11.834 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.657 -20.311 13.148 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.206 -20.559 12.147 1.00 0.00 H new ATOM 568 N HIS A 35 4.931 -14.904 12.001 1.00 0.00 N ATOM 569 CA HIS A 35 4.412 -13.596 12.376 1.00 0.00 C ATOM 570 C HIS A 35 4.353 -12.683 11.156 1.00 0.00 C ATOM 571 O HIS A 35 3.361 -11.985 10.939 1.00 0.00 O ATOM 572 CB HIS A 35 5.306 -12.969 13.450 1.00 0.00 C ATOM 573 CG HIS A 35 4.749 -11.634 13.852 1.00 0.00 C ATOM 574 ND1 HIS A 35 5.077 -10.466 13.183 1.00 0.00 N ATOM 575 CD2 HIS A 35 3.890 -11.264 14.856 1.00 0.00 C ATOM 576 CE1 HIS A 35 4.425 -9.457 13.786 1.00 0.00 C ATOM 577 NE2 HIS A 35 3.686 -9.889 14.811 1.00 0.00 N ATOM 0 H HIS A 35 5.783 -15.180 12.490 1.00 0.00 H new ATOM 0 HA HIS A 35 3.405 -13.719 12.774 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.365 -13.626 14.318 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.321 -12.851 13.070 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.441 -11.937 15.571 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.491 -8.424 13.479 1.00 0.00 H new ATOM 0 HE2 HIS A 35 3.098 -9.330 15.429 1.00 0.00 H new ATOM 585 N ASN A 36 5.417 -12.696 10.359 1.00 0.00 N ATOM 586 CA ASN A 36 5.472 -11.870 9.157 1.00 0.00 C ATOM 587 C ASN A 36 4.745 -12.556 8.003 1.00 0.00 C ATOM 588 O ASN A 36 4.031 -11.911 7.234 1.00 0.00 O ATOM 589 CB ASN A 36 6.930 -11.613 8.766 1.00 0.00 C ATOM 590 CG ASN A 36 7.727 -12.909 8.839 1.00 0.00 C ATOM 591 OD1 ASN A 36 7.718 -13.585 9.868 1.00 0.00 O ATOM 592 ND2 ASN A 36 8.419 -13.300 7.804 1.00 0.00 N ATOM 0 H ASN A 36 6.248 -13.265 10.522 1.00 0.00 H new ATOM 0 HA ASN A 36 4.981 -10.920 9.367 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.977 -11.204 7.757 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.368 -10.870 9.432 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.954 -14.167 7.846 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.425 -12.738 6.953 1.00 0.00 H new ATOM 599 N SER A 37 4.928 -13.871 7.893 1.00 0.00 N ATOM 600 CA SER A 37 4.287 -14.650 6.837 1.00 0.00 C ATOM 601 C SER A 37 2.940 -15.179 7.312 1.00 0.00 C ATOM 602 O SER A 37 2.388 -16.114 6.733 1.00 0.00 O ATOM 603 CB SER A 37 5.184 -15.820 6.433 1.00 0.00 C ATOM 604 OG SER A 37 6.399 -15.314 5.893 1.00 0.00 O ATOM 0 H SER A 37 5.515 -14.418 8.523 1.00 0.00 H new ATOM 0 HA SER A 37 4.129 -14.002 5.975 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.391 -16.450 7.298 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.678 -16.445 5.697 1.00 0.00 H new ATOM 0 HG SER A 37 6.978 -16.061 5.634 1.00 0.00 H new ATOM 610 N ASN A 38 2.420 -14.585 8.379 1.00 0.00 N ATOM 611 CA ASN A 38 1.140 -15.015 8.927 1.00 0.00 C ATOM 612 C ASN A 38 0.111 -15.195 7.816 1.00 0.00 C ATOM 613 O ASN A 38 -0.186 -14.263 7.071 1.00 0.00 O ATOM 614 CB ASN A 38 0.626 -13.979 9.930 1.00 0.00 C ATOM 615 CG ASN A 38 0.389 -12.644 9.229 1.00 0.00 C ATOM 616 OD1 ASN A 38 0.865 -12.433 8.113 1.00 0.00 O ATOM 617 ND2 ASN A 38 -0.321 -11.721 9.820 1.00 0.00 N ATOM 0 H ASN A 38 2.860 -13.812 8.878 1.00 0.00 H new ATOM 0 HA ASN A 38 1.288 -15.971 9.430 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.301 -14.330 10.384 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.348 -13.852 10.736 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.481 -10.826 9.357 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -0.716 -11.895 10.744 1.00 0.00 H new ATOM 624 N ILE A 39 -0.429 -16.405 7.717 1.00 0.00 N ATOM 625 CA ILE A 39 -1.430 -16.707 6.702 1.00 0.00 C ATOM 626 C ILE A 39 -0.855 -16.489 5.310 1.00 0.00 C ATOM 627 O ILE A 39 -1.323 -15.626 4.568 1.00 0.00 O ATOM 628 CB ILE A 39 -2.653 -15.810 6.883 1.00 0.00 C ATOM 629 CG1 ILE A 39 -3.074 -15.821 8.346 1.00 0.00 C ATOM 630 CG2 ILE A 39 -3.802 -16.339 6.024 1.00 0.00 C ATOM 631 CD1 ILE A 39 -4.260 -14.879 8.545 1.00 0.00 C ATOM 0 H ILE A 39 -0.191 -17.189 8.325 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.724 -17.751 6.813 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.407 -14.792 6.579 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.345 -16.832 8.649 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.241 -15.511 8.977 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.676 -15.700 6.152 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.503 -16.339 4.976 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.048 -17.356 6.331 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.560 -14.888 9.593 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.973 -13.867 8.259 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.094 -15.209 7.926 1.00 0.00 H new ATOM 643 N LEU A 40 0.163 -17.274 4.962 1.00 0.00 N ATOM 644 CA LEU A 40 0.803 -17.162 3.648 1.00 0.00 C ATOM 645 C LEU A 40 0.705 -18.482 2.896 1.00 0.00 C ATOM 646 O LEU A 40 0.860 -19.551 3.477 1.00 0.00 O ATOM 647 CB LEU A 40 2.277 -16.773 3.806 1.00 0.00 C ATOM 648 CG LEU A 40 2.907 -16.503 2.428 1.00 0.00 C ATOM 649 CD1 LEU A 40 2.249 -15.278 1.761 1.00 0.00 C ATOM 650 CD2 LEU A 40 4.412 -16.257 2.605 1.00 0.00 C ATOM 0 H LEU A 40 0.562 -17.992 5.567 1.00 0.00 H new ATOM 0 HA LEU A 40 0.286 -16.388 3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.361 -15.885 4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.819 -17.572 4.311 1.00 0.00 H new ATOM 0 HG LEU A 40 2.747 -17.369 1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.708 -15.103 0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.183 -15.463 1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.391 -14.400 2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.866 -16.065 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.566 -15.395 3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.874 -17.136 3.054 1.00 0.00 H new ATOM 662 N ASP A 41 0.451 -18.398 1.597 1.00 0.00 N ATOM 663 CA ASP A 41 0.329 -19.595 0.773 1.00 0.00 C ATOM 664 C ASP A 41 1.553 -20.487 0.926 1.00 0.00 C ATOM 665 O ASP A 41 1.433 -21.707 1.031 1.00 0.00 O ATOM 666 CB ASP A 41 0.162 -19.202 -0.696 1.00 0.00 C ATOM 667 CG ASP A 41 0.085 -20.454 -1.565 1.00 0.00 C ATOM 668 OD1 ASP A 41 0.039 -21.537 -1.006 1.00 0.00 O ATOM 669 OD2 ASP A 41 0.073 -20.309 -2.776 1.00 0.00 O ATOM 0 H ASP A 41 0.326 -17.520 1.093 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.549 -20.149 1.105 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.742 -18.606 -0.821 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.000 -18.581 -1.012 1.00 0.00 H new ATOM 674 N GLU A 42 2.728 -19.879 0.933 1.00 0.00 N ATOM 675 CA GLU A 42 3.962 -20.639 1.075 1.00 0.00 C ATOM 676 C GLU A 42 4.111 -21.181 2.493 1.00 0.00 C ATOM 677 O GLU A 42 4.493 -22.334 2.691 1.00 0.00 O ATOM 678 CB GLU A 42 5.151 -19.746 0.746 1.00 0.00 C ATOM 679 CG GLU A 42 6.443 -20.570 0.790 1.00 0.00 C ATOM 680 CD GLU A 42 7.633 -19.702 0.394 1.00 0.00 C ATOM 681 OE1 GLU A 42 7.412 -18.650 -0.179 1.00 0.00 O ATOM 682 OE2 GLU A 42 8.754 -20.110 0.664 1.00 0.00 O ATOM 0 H GLU A 42 2.855 -18.871 0.843 1.00 0.00 H new ATOM 0 HA GLU A 42 3.927 -21.482 0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.024 -19.304 -0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.208 -18.923 1.459 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.593 -20.971 1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.363 -21.422 0.114 1.00 0.00 H new ATOM 689 N ARG A 43 3.822 -20.337 3.479 1.00 0.00 N ATOM 690 CA ARG A 43 3.946 -20.740 4.879 1.00 0.00 C ATOM 691 C ARG A 43 2.763 -21.603 5.311 1.00 0.00 C ATOM 692 O ARG A 43 2.834 -22.308 6.317 1.00 0.00 O ATOM 693 CB ARG A 43 4.043 -19.497 5.777 1.00 0.00 C ATOM 694 CG ARG A 43 4.789 -19.837 7.089 1.00 0.00 C ATOM 695 CD ARG A 43 6.276 -19.504 6.944 1.00 0.00 C ATOM 696 NE ARG A 43 6.872 -20.303 5.874 1.00 0.00 N ATOM 697 CZ ARG A 43 7.922 -19.865 5.186 1.00 0.00 C ATOM 698 NH1 ARG A 43 8.435 -18.695 5.453 1.00 0.00 N ATOM 699 NH2 ARG A 43 8.438 -20.602 4.242 1.00 0.00 N ATOM 0 H ARG A 43 3.503 -19.378 3.339 1.00 0.00 H new ATOM 0 HA ARG A 43 4.855 -21.333 4.982 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.566 -18.699 5.250 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.044 -19.126 6.005 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.360 -19.274 7.918 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.665 -20.894 7.324 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.399 -18.443 6.727 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.793 -19.699 7.884 1.00 0.00 H new ATOM 0 HE ARG A 43 6.474 -21.215 5.651 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.030 -18.117 6.189 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.241 -18.359 4.925 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.036 -21.515 4.031 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.244 -20.265 3.715 1.00 0.00 H new ATOM 713 N GLN A 44 1.678 -21.535 4.554 1.00 0.00 N ATOM 714 CA GLN A 44 0.486 -22.306 4.878 1.00 0.00 C ATOM 715 C GLN A 44 0.846 -23.776 5.078 1.00 0.00 C ATOM 716 O GLN A 44 0.293 -24.447 5.950 1.00 0.00 O ATOM 717 CB GLN A 44 -0.557 -22.152 3.745 1.00 0.00 C ATOM 718 CG GLN A 44 -1.621 -21.116 4.124 1.00 0.00 C ATOM 719 CD GLN A 44 -2.543 -20.858 2.939 1.00 0.00 C ATOM 720 OE1 GLN A 44 -2.412 -21.499 1.895 1.00 0.00 O ATOM 721 NE2 GLN A 44 -3.469 -19.950 3.041 1.00 0.00 N ATOM 0 H GLN A 44 1.598 -20.958 3.717 1.00 0.00 H new ATOM 0 HA GLN A 44 0.057 -21.929 5.807 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.059 -21.848 2.824 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.032 -23.113 3.548 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.201 -21.473 4.975 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.142 -20.186 4.432 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.573 -19.422 3.908 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.091 -19.766 2.254 1.00 0.00 H new ATOM 730 N GLY A 45 1.774 -24.268 4.273 1.00 0.00 N ATOM 731 CA GLY A 45 2.189 -25.655 4.381 1.00 0.00 C ATOM 732 C GLY A 45 2.860 -25.907 5.718 1.00 0.00 C ATOM 733 O GLY A 45 2.747 -26.993 6.285 1.00 0.00 O ATOM 0 H GLY A 45 2.249 -23.734 3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.324 -26.309 4.273 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.876 -25.899 3.571 1.00 0.00 H new ATOM 737 N LEU A 46 3.566 -24.898 6.212 1.00 0.00 N ATOM 738 CA LEU A 46 4.266 -25.027 7.481 1.00 0.00 C ATOM 739 C LEU A 46 3.267 -25.218 8.621 1.00 0.00 C ATOM 740 O LEU A 46 3.519 -25.957 9.568 1.00 0.00 O ATOM 741 CB LEU A 46 5.152 -23.781 7.732 1.00 0.00 C ATOM 742 CG LEU A 46 6.554 -24.198 8.204 1.00 0.00 C ATOM 743 CD1 LEU A 46 7.454 -22.963 8.267 1.00 0.00 C ATOM 744 CD2 LEU A 46 6.458 -24.831 9.596 1.00 0.00 C ATOM 0 H LEU A 46 3.668 -23.990 5.758 1.00 0.00 H new ATOM 0 HA LEU A 46 4.910 -25.905 7.440 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.230 -23.194 6.817 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.686 -23.142 8.482 1.00 0.00 H new ATOM 0 HG LEU A 46 6.974 -24.922 7.505 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.449 -23.255 8.602 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.522 -22.511 7.277 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.033 -22.241 8.967 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.452 -25.127 9.931 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.040 -24.108 10.296 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.814 -25.709 9.553 1.00 0.00 H new ATOM 756 N MET A 47 2.136 -24.537 8.524 1.00 0.00 N ATOM 757 CA MET A 47 1.119 -24.628 9.558 1.00 0.00 C ATOM 758 C MET A 47 0.640 -26.067 9.704 1.00 0.00 C ATOM 759 O MET A 47 0.405 -26.541 10.813 1.00 0.00 O ATOM 760 CB MET A 47 -0.063 -23.714 9.205 1.00 0.00 C ATOM 761 CG MET A 47 0.256 -22.269 9.599 1.00 0.00 C ATOM 762 SD MET A 47 1.731 -21.711 8.711 1.00 0.00 S ATOM 763 CE MET A 47 1.215 -19.994 8.469 1.00 0.00 C ATOM 0 H MET A 47 1.901 -23.920 7.746 1.00 0.00 H new ATOM 0 HA MET A 47 1.550 -24.307 10.506 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.271 -23.771 8.136 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.961 -24.051 9.723 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.589 -21.622 9.364 1.00 0.00 H new ATOM 0 HG3 MET A 47 0.419 -22.202 10.675 1.00 0.00 H new ATOM 0 HE1 MET A 47 2.060 -19.407 8.109 1.00 0.00 H new ATOM 0 HE2 MET A 47 0.409 -19.956 7.737 1.00 0.00 H new ATOM 0 HE3 MET A 47 0.865 -19.582 9.416 1.00 0.00 H new ATOM 773 N HIS A 48 0.492 -26.757 8.581 1.00 0.00 N ATOM 774 CA HIS A 48 0.033 -28.139 8.611 1.00 0.00 C ATOM 775 C HIS A 48 1.019 -29.027 9.363 1.00 0.00 C ATOM 776 O HIS A 48 0.638 -29.761 10.275 1.00 0.00 O ATOM 777 CB HIS A 48 -0.122 -28.661 7.185 1.00 0.00 C ATOM 778 CG HIS A 48 -0.605 -30.084 7.223 1.00 0.00 C ATOM 779 ND1 HIS A 48 0.212 -31.130 7.621 1.00 0.00 N ATOM 780 CD2 HIS A 48 -1.815 -30.653 6.911 1.00 0.00 C ATOM 781 CE1 HIS A 48 -0.509 -32.262 7.541 1.00 0.00 C ATOM 782 NE2 HIS A 48 -1.752 -32.028 7.114 1.00 0.00 N ATOM 0 H HIS A 48 0.680 -26.388 7.649 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.927 -28.166 9.126 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.828 -28.040 6.634 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.831 -28.603 6.659 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.684 -30.115 6.561 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -0.129 -33.241 7.792 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -2.496 -32.711 6.968 1.00 0.00 H new ATOM 790 N GLU A 49 2.289 -28.957 8.976 1.00 0.00 N ATOM 791 CA GLU A 49 3.318 -29.763 9.622 1.00 0.00 C ATOM 792 C GLU A 49 3.609 -29.233 11.020 1.00 0.00 C ATOM 793 O GLU A 49 3.823 -30.003 11.957 1.00 0.00 O ATOM 794 CB GLU A 49 4.602 -29.736 8.791 1.00 0.00 C ATOM 795 CG GLU A 49 5.574 -30.795 9.319 1.00 0.00 C ATOM 796 CD GLU A 49 5.053 -32.189 8.982 1.00 0.00 C ATOM 797 OE1 GLU A 49 4.084 -32.275 8.247 1.00 0.00 O ATOM 798 OE2 GLU A 49 5.630 -33.148 9.468 1.00 0.00 O ATOM 0 H GLU A 49 2.628 -28.356 8.225 1.00 0.00 H new ATOM 0 HA GLU A 49 2.956 -30.788 9.698 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.373 -29.927 7.743 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.060 -28.748 8.842 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.560 -30.649 8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.689 -30.691 10.398 1.00 0.00 H new ATOM 805 N LEU A 50 3.623 -27.914 11.150 1.00 0.00 N ATOM 806 CA LEU A 50 3.902 -27.287 12.434 1.00 0.00 C ATOM 807 C LEU A 50 2.833 -27.660 13.454 1.00 0.00 C ATOM 808 O LEU A 50 3.136 -27.931 14.613 1.00 0.00 O ATOM 809 CB LEU A 50 3.945 -25.766 12.285 1.00 0.00 C ATOM 810 CG LEU A 50 4.292 -25.107 13.632 1.00 0.00 C ATOM 811 CD1 LEU A 50 5.676 -25.577 14.120 1.00 0.00 C ATOM 812 CD2 LEU A 50 4.296 -23.583 13.458 1.00 0.00 C ATOM 0 H LEU A 50 3.446 -27.261 10.387 1.00 0.00 H new ATOM 0 HA LEU A 50 4.871 -27.645 12.781 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.685 -25.488 11.535 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.981 -25.401 11.932 1.00 0.00 H new ATOM 0 HG LEU A 50 3.547 -25.394 14.374 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.906 -25.102 15.074 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.669 -26.660 14.246 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.433 -25.302 13.386 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.541 -23.109 14.408 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.039 -23.304 12.711 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.311 -23.252 13.131 1.00 0.00 H new ATOM 824 N MET A 51 1.578 -27.657 13.015 1.00 0.00 N ATOM 825 CA MET A 51 0.468 -27.979 13.902 1.00 0.00 C ATOM 826 C MET A 51 0.733 -29.286 14.635 1.00 0.00 C ATOM 827 O MET A 51 0.531 -29.381 15.845 1.00 0.00 O ATOM 828 CB MET A 51 -0.825 -28.095 13.090 1.00 0.00 C ATOM 829 CG MET A 51 -1.994 -28.405 14.025 1.00 0.00 C ATOM 830 SD MET A 51 -3.542 -28.364 13.088 1.00 0.00 S ATOM 831 CE MET A 51 -3.532 -30.091 12.549 1.00 0.00 C ATOM 0 H MET A 51 1.306 -27.437 12.057 1.00 0.00 H new ATOM 0 HA MET A 51 0.366 -27.181 14.637 1.00 0.00 H new ATOM 0 HB2 MET A 51 -1.013 -27.165 12.553 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.727 -28.881 12.342 1.00 0.00 H new ATOM 0 HG2 MET A 51 -1.859 -29.385 14.482 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.028 -27.678 14.836 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.417 -30.288 11.944 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.637 -30.282 11.957 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.536 -30.744 13.421 1.00 0.00 H new ATOM 841 N GLU A 52 1.189 -30.290 13.900 1.00 0.00 N ATOM 842 CA GLU A 52 1.481 -31.583 14.501 1.00 0.00 C ATOM 843 C GLU A 52 2.673 -31.476 15.443 1.00 0.00 C ATOM 844 O GLU A 52 2.661 -32.028 16.540 1.00 0.00 O ATOM 845 CB GLU A 52 1.786 -32.605 13.405 1.00 0.00 C ATOM 846 CG GLU A 52 0.516 -32.882 12.600 1.00 0.00 C ATOM 847 CD GLU A 52 0.832 -33.798 11.424 1.00 0.00 C ATOM 848 OE1 GLU A 52 1.962 -34.252 11.338 1.00 0.00 O ATOM 849 OE2 GLU A 52 -0.061 -34.036 10.626 1.00 0.00 O ATOM 0 H GLU A 52 1.363 -30.236 12.896 1.00 0.00 H new ATOM 0 HA GLU A 52 0.610 -31.907 15.071 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.570 -32.228 12.749 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.158 -33.529 13.848 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.236 -33.344 13.240 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.094 -31.945 12.238 1.00 0.00 H new ATOM 856 N LEU A 53 3.702 -30.762 15.007 1.00 0.00 N ATOM 857 CA LEU A 53 4.901 -30.595 15.819 1.00 0.00 C ATOM 858 C LEU A 53 4.577 -29.841 17.099 1.00 0.00 C ATOM 859 O LEU A 53 5.072 -30.177 18.172 1.00 0.00 O ATOM 860 CB LEU A 53 5.959 -29.828 15.026 1.00 0.00 C ATOM 861 CG LEU A 53 6.418 -30.675 13.826 1.00 0.00 C ATOM 862 CD1 LEU A 53 7.278 -29.815 12.894 1.00 0.00 C ATOM 863 CD2 LEU A 53 7.227 -31.906 14.295 1.00 0.00 C ATOM 0 H LEU A 53 3.732 -30.292 14.102 1.00 0.00 H new ATOM 0 HA LEU A 53 5.285 -31.581 16.080 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.551 -28.879 14.679 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.810 -29.595 15.666 1.00 0.00 H new ATOM 0 HG LEU A 53 5.536 -31.029 13.293 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.604 -30.414 12.044 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.693 -28.967 12.538 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.150 -29.451 13.437 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.540 -32.488 13.428 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.107 -31.575 14.846 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.605 -32.525 14.942 1.00 0.00 H new ATOM 875 N ILE A 54 3.752 -28.813 16.984 1.00 0.00 N ATOM 876 CA ILE A 54 3.401 -28.025 18.156 1.00 0.00 C ATOM 877 C ILE A 54 2.652 -28.875 19.179 1.00 0.00 C ATOM 878 O ILE A 54 2.983 -28.878 20.359 1.00 0.00 O ATOM 879 CB ILE A 54 2.521 -26.831 17.735 1.00 0.00 C ATOM 880 CG1 ILE A 54 3.394 -25.720 17.126 1.00 0.00 C ATOM 881 CG2 ILE A 54 1.731 -26.275 18.938 1.00 0.00 C ATOM 882 CD1 ILE A 54 4.037 -24.854 18.219 1.00 0.00 C ATOM 0 H ILE A 54 3.320 -28.508 16.111 1.00 0.00 H new ATOM 0 HA ILE A 54 4.321 -27.662 18.614 1.00 0.00 H new ATOM 0 HB ILE A 54 1.809 -27.181 16.988 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.173 -26.165 16.506 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.786 -25.094 16.473 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.119 -25.434 18.614 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.089 -27.056 19.344 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.427 -25.942 19.708 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.647 -24.078 17.757 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.256 -24.390 18.822 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.664 -25.478 18.856 1.00 0.00 H new ATOM 894 N ASP A 55 1.644 -29.589 18.713 1.00 0.00 N ATOM 895 CA ASP A 55 0.845 -30.420 19.593 1.00 0.00 C ATOM 896 C ASP A 55 1.691 -31.537 20.169 1.00 0.00 C ATOM 897 O ASP A 55 1.321 -32.160 21.152 1.00 0.00 O ATOM 898 CB ASP A 55 -0.350 -30.995 18.837 1.00 0.00 C ATOM 899 CG ASP A 55 -1.226 -31.806 19.786 1.00 0.00 C ATOM 900 OD1 ASP A 55 -1.027 -31.697 20.984 1.00 0.00 O ATOM 901 OD2 ASP A 55 -2.084 -32.525 19.299 1.00 0.00 O ATOM 0 H ASP A 55 1.360 -29.610 17.734 1.00 0.00 H new ATOM 0 HA ASP A 55 0.474 -29.805 20.413 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -0.932 -30.188 18.392 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.004 -31.627 18.019 1.00 0.00 H new ATOM 906 N LEU A 56 2.818 -31.803 19.531 1.00 0.00 N ATOM 907 CA LEU A 56 3.704 -32.864 19.994 1.00 0.00 C ATOM 908 C LEU A 56 4.602 -32.384 21.135 1.00 0.00 C ATOM 909 O LEU A 56 4.757 -33.068 22.145 1.00 0.00 O ATOM 910 CB LEU A 56 4.568 -33.355 18.829 1.00 0.00 C ATOM 911 CG LEU A 56 3.778 -34.359 17.975 1.00 0.00 C ATOM 912 CD1 LEU A 56 4.477 -34.530 16.621 1.00 0.00 C ATOM 913 CD2 LEU A 56 3.673 -35.725 18.694 1.00 0.00 C ATOM 0 H LEU A 56 3.141 -31.307 18.700 1.00 0.00 H new ATOM 0 HA LEU A 56 3.088 -33.681 20.370 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.880 -32.510 18.216 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.475 -33.824 19.211 1.00 0.00 H new ATOM 0 HG LEU A 56 2.769 -33.977 17.821 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.920 -35.242 16.011 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.519 -33.569 16.109 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.490 -34.902 16.779 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.110 -36.421 18.072 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.673 -36.122 18.869 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.162 -35.596 19.648 1.00 0.00 H new ATOM 925 N TYR A 57 5.212 -31.215 20.958 1.00 0.00 N ATOM 926 CA TYR A 57 6.116 -30.671 21.973 1.00 0.00 C ATOM 927 C TYR A 57 5.376 -29.824 23.003 1.00 0.00 C ATOM 928 O TYR A 57 5.355 -30.148 24.187 1.00 0.00 O ATOM 929 CB TYR A 57 7.180 -29.815 21.288 1.00 0.00 C ATOM 930 CG TYR A 57 8.153 -30.709 20.556 1.00 0.00 C ATOM 931 CD1 TYR A 57 9.110 -31.431 21.277 1.00 0.00 C ATOM 932 CD2 TYR A 57 8.100 -30.819 19.160 1.00 0.00 C ATOM 933 CE1 TYR A 57 10.017 -32.260 20.606 1.00 0.00 C ATOM 934 CE2 TYR A 57 9.008 -31.648 18.488 1.00 0.00 C ATOM 935 CZ TYR A 57 9.966 -32.369 19.212 1.00 0.00 C ATOM 936 OH TYR A 57 10.858 -33.186 18.550 1.00 0.00 O ATOM 0 H TYR A 57 5.100 -30.629 20.130 1.00 0.00 H new ATOM 0 HA TYR A 57 6.574 -31.509 22.498 1.00 0.00 H new ATOM 0 HB2 TYR A 57 6.710 -29.122 20.590 1.00 0.00 H new ATOM 0 HB3 TYR A 57 7.709 -29.213 22.027 1.00 0.00 H new ATOM 0 HD1 TYR A 57 9.149 -31.349 22.353 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.359 -30.265 18.602 1.00 0.00 H new ATOM 0 HE1 TYR A 57 10.756 -32.815 21.164 1.00 0.00 H new ATOM 0 HE2 TYR A 57 8.969 -31.731 17.412 1.00 0.00 H new ATOM 0 HH TYR A 57 11.572 -32.641 18.159 1.00 0.00 H new ATOM 946 N GLU A 58 4.777 -28.734 22.540 1.00 0.00 N ATOM 947 CA GLU A 58 4.054 -27.832 23.428 1.00 0.00 C ATOM 948 C GLU A 58 3.102 -28.610 24.325 1.00 0.00 C ATOM 949 O GLU A 58 2.669 -28.112 25.360 1.00 0.00 O ATOM 950 CB GLU A 58 3.279 -26.782 22.629 1.00 0.00 C ATOM 951 CG GLU A 58 4.258 -25.896 21.847 1.00 0.00 C ATOM 952 CD GLU A 58 5.158 -25.125 22.805 1.00 0.00 C ATOM 953 OE1 GLU A 58 4.777 -24.977 23.954 1.00 0.00 O ATOM 954 OE2 GLU A 58 6.215 -24.692 22.375 1.00 0.00 O ATOM 0 H GLU A 58 4.777 -28.454 21.559 1.00 0.00 H new ATOM 0 HA GLU A 58 4.787 -27.321 24.052 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.589 -27.271 21.942 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.678 -26.170 23.302 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.865 -26.512 21.184 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.705 -25.199 21.218 1.00 0.00 H new ATOM 961 N GLU A 59 2.760 -29.824 23.917 1.00 0.00 N ATOM 962 CA GLU A 59 1.855 -30.655 24.708 1.00 0.00 C ATOM 963 C GLU A 59 2.625 -31.441 25.767 1.00 0.00 C ATOM 964 O GLU A 59 2.133 -31.655 26.876 1.00 0.00 O ATOM 965 CB GLU A 59 1.118 -31.616 23.799 1.00 0.00 C ATOM 966 CG GLU A 59 0.070 -32.378 24.603 1.00 0.00 C ATOM 967 CD GLU A 59 -0.723 -33.294 23.678 1.00 0.00 C ATOM 968 OE1 GLU A 59 -0.282 -33.503 22.561 1.00 0.00 O ATOM 969 OE2 GLU A 59 -1.768 -33.766 24.098 1.00 0.00 O ATOM 0 H GLU A 59 3.090 -30.254 23.053 1.00 0.00 H new ATOM 0 HA GLU A 59 1.140 -30.003 25.211 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.641 -31.070 22.986 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.821 -32.314 23.344 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.553 -32.965 25.384 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.601 -31.677 25.099 1.00 0.00 H new ATOM 976 N SER A 60 3.837 -31.880 25.418 1.00 0.00 N ATOM 977 CA SER A 60 4.674 -32.651 26.345 1.00 0.00 C ATOM 978 C SER A 60 5.625 -31.742 27.130 1.00 0.00 C ATOM 979 O SER A 60 6.196 -32.158 28.140 1.00 0.00 O ATOM 980 CB SER A 60 5.485 -33.680 25.564 1.00 0.00 C ATOM 981 OG SER A 60 6.390 -33.005 24.699 1.00 0.00 O ATOM 0 H SER A 60 4.261 -31.716 24.505 1.00 0.00 H new ATOM 0 HA SER A 60 4.018 -33.152 27.057 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.033 -34.326 26.250 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.820 -34.321 24.985 1.00 0.00 H new ATOM 0 HG SER A 60 6.067 -33.067 23.776 1.00 0.00 H new ATOM 987 N GLN A 61 5.803 -30.512 26.654 1.00 0.00 N ATOM 988 CA GLN A 61 6.708 -29.562 27.312 1.00 0.00 C ATOM 989 C GLN A 61 6.140 -29.085 28.648 1.00 0.00 C ATOM 990 O GLN A 61 6.860 -28.987 29.640 1.00 0.00 O ATOM 991 CB GLN A 61 6.973 -28.357 26.378 1.00 0.00 C ATOM 992 CG GLN A 61 8.473 -28.112 26.228 1.00 0.00 C ATOM 993 CD GLN A 61 8.701 -26.768 25.553 1.00 0.00 C ATOM 994 OE1 GLN A 61 9.425 -25.925 26.076 1.00 0.00 O ATOM 995 NE2 GLN A 61 8.108 -26.514 24.418 1.00 0.00 N ATOM 0 H GLN A 61 5.338 -30.148 25.822 1.00 0.00 H new ATOM 0 HA GLN A 61 7.649 -30.073 27.516 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.530 -28.544 25.400 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.492 -27.466 26.780 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.954 -28.126 27.206 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.926 -28.909 25.638 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.508 -27.217 23.988 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.245 -25.612 23.962 1.00 0.00 H new ATOM 1004 N PRO A 62 4.871 -28.796 28.698 1.00 0.00 N ATOM 1005 CA PRO A 62 4.198 -28.325 29.928 1.00 0.00 C ATOM 1006 C PRO A 62 3.438 -29.449 30.619 1.00 0.00 C ATOM 1007 O PRO A 62 2.274 -29.711 30.324 1.00 0.00 O ATOM 1008 CB PRO A 62 3.207 -27.278 29.374 1.00 0.00 C ATOM 1009 CG PRO A 62 2.945 -27.672 27.936 1.00 0.00 C ATOM 1010 CD PRO A 62 3.934 -28.807 27.583 1.00 0.00 C ATOM 0 HA PRO A 62 4.893 -27.941 30.675 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.283 -27.272 29.952 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.627 -26.274 29.433 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.915 -28.007 27.811 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.086 -26.819 27.272 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.428 -29.768 27.493 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.437 -28.621 26.634 1.00 0.00 H new ATOM 1018 N SER A 63 4.138 -30.094 31.548 1.00 0.00 N ATOM 1019 CA SER A 63 3.569 -31.187 32.314 1.00 0.00 C ATOM 1020 C SER A 63 2.650 -30.645 33.402 1.00 0.00 C ATOM 1021 O SER A 63 1.931 -31.402 34.052 1.00 0.00 O ATOM 1022 CB SER A 63 4.687 -32.013 32.951 1.00 0.00 C ATOM 1023 OG SER A 63 4.143 -33.220 33.462 1.00 0.00 O ATOM 0 H SER A 63 5.105 -29.873 31.786 1.00 0.00 H new ATOM 0 HA SER A 63 2.989 -31.821 31.643 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.459 -32.232 32.213 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.163 -31.447 33.752 1.00 0.00 H new ATOM 0 HG SER A 63 3.256 -33.045 33.841 1.00 0.00 H new ATOM 1029 N SER A 64 2.681 -29.331 33.597 1.00 0.00 N ATOM 1030 CA SER A 64 1.846 -28.700 34.613 1.00 0.00 C ATOM 1031 C SER A 64 0.402 -28.593 34.126 1.00 0.00 C ATOM 1032 O SER A 64 -0.348 -27.721 34.565 1.00 0.00 O ATOM 1033 CB SER A 64 2.382 -27.306 34.935 1.00 0.00 C ATOM 1034 OG SER A 64 2.670 -26.631 33.721 1.00 0.00 O ATOM 0 H SER A 64 3.270 -28.687 33.070 1.00 0.00 H new ATOM 0 HA SER A 64 1.871 -29.315 35.513 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.648 -26.745 35.513 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.281 -27.380 35.547 1.00 0.00 H new ATOM 0 HG SER A 64 3.574 -26.255 33.762 1.00 0.00 H new ATOM 1040 N GLU A 65 0.023 -29.487 33.217 1.00 0.00 N ATOM 1041 CA GLU A 65 -1.334 -29.489 32.679 1.00 0.00 C ATOM 1042 C GLU A 65 -1.685 -28.120 32.110 1.00 0.00 C ATOM 1043 O GLU A 65 -2.854 -27.811 31.879 1.00 0.00 O ATOM 1044 CB GLU A 65 -2.328 -29.858 33.781 1.00 0.00 C ATOM 1045 CG GLU A 65 -2.150 -31.329 34.176 1.00 0.00 C ATOM 1046 CD GLU A 65 -0.877 -31.506 35.000 1.00 0.00 C ATOM 1047 OE1 GLU A 65 -0.464 -30.547 35.630 1.00 0.00 O ATOM 1048 OE2 GLU A 65 -0.342 -32.602 34.999 1.00 0.00 O ATOM 0 H GLU A 65 0.631 -30.214 32.840 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.389 -30.226 31.878 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.174 -29.218 34.650 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.347 -29.686 33.435 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.013 -31.665 34.751 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.101 -31.950 33.281 1.00 0.00 H new ATOM 1055 N ARG A 66 -0.661 -27.306 31.882 1.00 0.00 N ATOM 1056 CA ARG A 66 -0.864 -25.970 31.336 1.00 0.00 C ATOM 1057 C ARG A 66 -1.127 -26.030 29.838 1.00 0.00 C ATOM 1058 O ARG A 66 -1.597 -25.060 29.243 1.00 0.00 O ATOM 1059 CB ARG A 66 0.358 -25.099 31.607 1.00 0.00 C ATOM 1060 CG ARG A 66 0.442 -24.785 33.101 1.00 0.00 C ATOM 1061 CD ARG A 66 1.686 -23.939 33.375 1.00 0.00 C ATOM 1062 NE ARG A 66 1.551 -22.628 32.754 1.00 0.00 N ATOM 1063 CZ ARG A 66 2.549 -21.752 32.776 1.00 0.00 C ATOM 1064 NH1 ARG A 66 3.669 -22.052 33.378 1.00 0.00 N ATOM 1065 NH2 ARG A 66 2.409 -20.590 32.200 1.00 0.00 N ATOM 0 H ARG A 66 0.313 -27.546 32.066 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.735 -25.534 31.826 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.263 -25.612 31.281 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.293 -24.174 31.034 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.452 -24.251 33.422 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.484 -25.710 33.676 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.829 -23.827 34.450 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.571 -24.444 32.987 1.00 0.00 H new ATOM 0 HE ARG A 66 0.675 -22.379 32.295 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.777 -22.959 33.831 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.435 -21.379 33.395 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.533 -20.354 31.733 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.175 -19.917 32.217 1.00 0.00 H new ATOM 1079 N LEU A 67 -0.823 -27.170 29.228 1.00 0.00 N ATOM 1080 CA LEU A 67 -1.040 -27.335 27.795 1.00 0.00 C ATOM 1081 C LEU A 67 -2.393 -26.758 27.388 1.00 0.00 C ATOM 1082 O LEU A 67 -2.614 -26.408 26.231 1.00 0.00 O ATOM 1083 CB LEU A 67 -0.994 -28.824 27.426 1.00 0.00 C ATOM 1084 CG LEU A 67 -2.001 -29.629 28.298 1.00 0.00 C ATOM 1085 CD1 LEU A 67 -3.252 -29.973 27.481 1.00 0.00 C ATOM 1086 CD2 LEU A 67 -1.345 -30.931 28.791 1.00 0.00 C ATOM 0 H LEU A 67 -0.430 -27.986 29.697 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.251 -26.801 27.265 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.234 -28.951 26.370 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.014 -29.211 27.573 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.286 -29.017 29.154 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.949 -30.536 28.102 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.729 -29.054 27.142 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.968 -30.574 26.617 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.056 -31.489 29.401 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.049 -31.536 27.934 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.465 -30.692 29.388 1.00 0.00 H new ATOM 1098 N ASN A 68 -3.298 -26.655 28.350 1.00 0.00 N ATOM 1099 CA ASN A 68 -4.622 -26.114 28.072 1.00 0.00 C ATOM 1100 C ASN A 68 -4.501 -24.819 27.274 1.00 0.00 C ATOM 1101 O ASN A 68 -5.426 -24.427 26.562 1.00 0.00 O ATOM 1102 CB ASN A 68 -5.360 -25.847 29.385 1.00 0.00 C ATOM 1103 CG ASN A 68 -4.560 -24.877 30.252 1.00 0.00 C ATOM 1104 OD1 ASN A 68 -3.771 -24.086 29.740 1.00 0.00 O ATOM 1105 ND2 ASN A 68 -4.715 -24.894 31.547 1.00 0.00 N ATOM 0 H ASN A 68 -3.144 -26.935 29.319 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.185 -26.840 27.486 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.347 -25.432 29.178 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.514 -26.783 29.921 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.182 -24.251 32.133 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.369 -25.550 31.974 1.00 0.00 H new ATOM 1112 N ALA A 69 -3.347 -24.163 27.393 1.00 0.00 N ATOM 1113 CA ALA A 69 -3.099 -22.916 26.673 1.00 0.00 C ATOM 1114 C ALA A 69 -2.547 -23.208 25.283 1.00 0.00 C ATOM 1115 O ALA A 69 -2.747 -22.435 24.350 1.00 0.00 O ATOM 1116 CB ALA A 69 -2.109 -22.050 27.449 1.00 0.00 C ATOM 0 H ALA A 69 -2.572 -24.474 27.979 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.043 -22.380 26.573 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.931 -21.123 26.904 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.520 -21.820 28.432 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.168 -22.588 27.566 1.00 0.00 H new ATOM 1122 N PHE A 70 -1.858 -24.335 25.150 1.00 0.00 N ATOM 1123 CA PHE A 70 -1.291 -24.719 23.864 1.00 0.00 C ATOM 1124 C PHE A 70 -2.399 -24.792 22.814 1.00 0.00 C ATOM 1125 O PHE A 70 -2.156 -24.604 21.623 1.00 0.00 O ATOM 1126 CB PHE A 70 -0.559 -26.088 24.001 1.00 0.00 C ATOM 1127 CG PHE A 70 -1.148 -27.108 23.048 1.00 0.00 C ATOM 1128 CD1 PHE A 70 -0.770 -27.101 21.704 1.00 0.00 C ATOM 1129 CD2 PHE A 70 -2.103 -28.022 23.505 1.00 0.00 C ATOM 1130 CE1 PHE A 70 -1.345 -28.013 20.815 1.00 0.00 C ATOM 1131 CE2 PHE A 70 -2.683 -28.928 22.615 1.00 0.00 C ATOM 1132 CZ PHE A 70 -2.302 -28.926 21.270 1.00 0.00 C ATOM 0 H PHE A 70 -1.680 -24.993 25.909 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.564 -23.972 23.544 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.503 -25.960 23.794 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.643 -26.450 25.026 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.035 -26.392 21.352 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.392 -28.027 24.546 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.050 -28.013 19.776 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.425 -29.630 22.965 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.747 -29.630 20.582 1.00 0.00 H new ATOM 1142 N ARG A 71 -3.604 -25.098 23.269 1.00 0.00 N ATOM 1143 CA ARG A 71 -4.727 -25.226 22.360 1.00 0.00 C ATOM 1144 C ARG A 71 -4.995 -23.898 21.676 1.00 0.00 C ATOM 1145 O ARG A 71 -5.373 -23.853 20.505 1.00 0.00 O ATOM 1146 CB ARG A 71 -5.971 -25.682 23.113 1.00 0.00 C ATOM 1147 CG ARG A 71 -5.789 -27.133 23.571 1.00 0.00 C ATOM 1148 CD ARG A 71 -7.025 -27.578 24.356 1.00 0.00 C ATOM 1149 NE ARG A 71 -6.883 -28.968 24.775 1.00 0.00 N ATOM 1150 CZ ARG A 71 -7.738 -29.520 25.627 1.00 0.00 C ATOM 1151 NH1 ARG A 71 -8.720 -28.813 26.119 1.00 0.00 N ATOM 1152 NH2 ARG A 71 -7.598 -30.770 25.976 1.00 0.00 N ATOM 0 H ARG A 71 -3.826 -25.260 24.251 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.481 -25.973 21.606 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.144 -25.037 23.974 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.848 -25.600 22.471 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.640 -27.782 22.708 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.899 -27.220 24.194 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.159 -26.939 25.229 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.916 -27.466 23.739 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.113 -29.526 24.407 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.830 -27.836 25.848 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.377 -29.238 26.774 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.831 -31.323 25.594 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.256 -31.193 26.631 1.00 0.00 H new ATOM 1166 N GLU A 72 -4.796 -22.813 22.419 1.00 0.00 N ATOM 1167 CA GLU A 72 -5.018 -21.480 21.874 1.00 0.00 C ATOM 1168 C GLU A 72 -4.142 -21.270 20.649 1.00 0.00 C ATOM 1169 O GLU A 72 -4.617 -20.848 19.600 1.00 0.00 O ATOM 1170 CB GLU A 72 -4.678 -20.421 22.922 1.00 0.00 C ATOM 1171 CG GLU A 72 -5.666 -20.515 24.084 1.00 0.00 C ATOM 1172 CD GLU A 72 -5.291 -19.513 25.170 1.00 0.00 C ATOM 1173 OE1 GLU A 72 -4.343 -18.774 24.966 1.00 0.00 O ATOM 1174 OE2 GLU A 72 -5.959 -19.499 26.192 1.00 0.00 O ATOM 0 H GLU A 72 -4.485 -22.831 23.390 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.067 -21.388 21.594 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.660 -20.567 23.284 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.719 -19.427 22.476 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.677 -20.317 23.729 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.664 -21.525 24.493 1.00 0.00 H new ATOM 1181 N LEU A 73 -2.861 -21.578 20.784 1.00 0.00 N ATOM 1182 CA LEU A 73 -1.942 -21.426 19.666 1.00 0.00 C ATOM 1183 C LEU A 73 -2.342 -22.360 18.532 1.00 0.00 C ATOM 1184 O LEU A 73 -2.337 -21.973 17.367 1.00 0.00 O ATOM 1185 CB LEU A 73 -0.509 -21.733 20.115 1.00 0.00 C ATOM 1186 CG LEU A 73 0.454 -21.675 18.915 1.00 0.00 C ATOM 1187 CD1 LEU A 73 0.363 -20.304 18.223 1.00 0.00 C ATOM 1188 CD2 LEU A 73 1.888 -21.906 19.410 1.00 0.00 C ATOM 0 H LEU A 73 -2.439 -21.930 21.643 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.988 -20.396 19.311 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.198 -21.016 20.874 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.469 -22.721 20.574 1.00 0.00 H new ATOM 0 HG LEU A 73 0.179 -22.448 18.198 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.049 -20.277 17.377 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.655 -20.142 17.870 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.631 -19.520 18.932 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.575 -21.866 18.565 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.153 -21.132 20.130 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.955 -22.884 19.887 1.00 0.00 H new ATOM 1200 N ARG A 74 -2.692 -23.590 18.883 1.00 0.00 N ATOM 1201 CA ARG A 74 -3.091 -24.569 17.885 1.00 0.00 C ATOM 1202 C ARG A 74 -4.354 -24.113 17.179 1.00 0.00 C ATOM 1203 O ARG A 74 -4.621 -24.508 16.046 1.00 0.00 O ATOM 1204 CB ARG A 74 -3.321 -25.926 18.553 1.00 0.00 C ATOM 1205 CG ARG A 74 -3.882 -26.923 17.535 1.00 0.00 C ATOM 1206 CD ARG A 74 -3.922 -28.320 18.150 1.00 0.00 C ATOM 1207 NE ARG A 74 -4.338 -29.297 17.151 1.00 0.00 N ATOM 1208 CZ ARG A 74 -4.611 -30.552 17.491 1.00 0.00 C ATOM 1209 NH1 ARG A 74 -4.510 -30.924 18.737 1.00 0.00 N ATOM 1210 NH2 ARG A 74 -4.981 -31.410 16.580 1.00 0.00 N ATOM 0 H ARG A 74 -2.707 -23.931 19.844 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.295 -24.667 17.146 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.384 -26.302 18.964 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.014 -25.817 19.387 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.884 -26.621 17.230 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.263 -26.928 16.638 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.938 -28.583 18.539 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.612 -28.335 18.993 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.421 -29.012 16.175 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.222 -30.252 19.448 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.719 -31.887 19.000 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.061 -31.117 15.606 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.190 -32.373 16.842 1.00 0.00 H new ATOM 1224 N THR A 75 -5.124 -23.275 17.854 1.00 0.00 N ATOM 1225 CA THR A 75 -6.354 -22.769 17.277 1.00 0.00 C ATOM 1226 C THR A 75 -6.046 -21.983 16.009 1.00 0.00 C ATOM 1227 O THR A 75 -6.717 -22.139 14.991 1.00 0.00 O ATOM 1228 CB THR A 75 -7.072 -21.880 18.278 1.00 0.00 C ATOM 1229 OG1 THR A 75 -7.094 -22.514 19.548 1.00 0.00 O ATOM 1230 CG2 THR A 75 -8.500 -21.635 17.813 1.00 0.00 C ATOM 0 H THR A 75 -4.920 -22.934 18.794 1.00 0.00 H new ATOM 0 HA THR A 75 -7.000 -23.610 17.026 1.00 0.00 H new ATOM 0 HB THR A 75 -6.546 -20.928 18.354 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.582 -23.349 19.506 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.013 -20.997 18.533 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.487 -21.145 16.839 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.025 -22.587 17.733 1.00 0.00 H new ATOM 1238 N GLN A 76 -5.018 -21.140 16.081 1.00 0.00 N ATOM 1239 CA GLN A 76 -4.619 -20.339 14.929 1.00 0.00 C ATOM 1240 C GLN A 76 -4.102 -21.245 13.815 1.00 0.00 C ATOM 1241 O GLN A 76 -4.491 -21.107 12.656 1.00 0.00 O ATOM 1242 CB GLN A 76 -3.526 -19.344 15.346 1.00 0.00 C ATOM 1243 CG GLN A 76 -4.164 -18.132 16.027 1.00 0.00 C ATOM 1244 CD GLN A 76 -5.046 -18.590 17.182 1.00 0.00 C ATOM 1245 OE1 GLN A 76 -6.165 -19.053 16.965 1.00 0.00 O ATOM 1246 NE2 GLN A 76 -4.602 -18.493 18.404 1.00 0.00 N ATOM 0 H GLN A 76 -4.452 -20.995 16.917 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.484 -19.788 14.560 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -2.822 -19.826 16.025 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.958 -19.025 14.472 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.388 -17.460 16.395 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.757 -17.569 15.306 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.674 -18.109 18.580 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.183 -18.801 19.184 1.00 0.00 H new ATOM 1255 N LEU A 77 -3.233 -22.182 14.177 1.00 0.00 N ATOM 1256 CA LEU A 77 -2.678 -23.116 13.204 1.00 0.00 C ATOM 1257 C LEU A 77 -3.797 -23.970 12.617 1.00 0.00 C ATOM 1258 O LEU A 77 -3.819 -24.249 11.419 1.00 0.00 O ATOM 1259 CB LEU A 77 -1.622 -24.009 13.877 1.00 0.00 C ATOM 1260 CG LEU A 77 -0.270 -23.282 13.928 1.00 0.00 C ATOM 1261 CD1 LEU A 77 -0.449 -21.892 14.547 1.00 0.00 C ATOM 1262 CD2 LEU A 77 0.714 -24.096 14.773 1.00 0.00 C ATOM 0 H LEU A 77 -2.899 -22.315 15.132 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.200 -22.557 12.400 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.943 -24.267 14.886 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.520 -24.944 13.326 1.00 0.00 H new ATOM 0 HG LEU A 77 0.119 -23.175 12.915 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.514 -21.382 14.580 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.147 -21.312 13.943 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.842 -21.992 15.559 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.674 -23.581 14.810 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.322 -24.205 15.784 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.848 -25.082 14.327 1.00 0.00 H new ATOM 1274 N GLU A 78 -4.722 -24.380 13.473 1.00 0.00 N ATOM 1275 CA GLU A 78 -5.840 -25.200 13.031 1.00 0.00 C ATOM 1276 C GLU A 78 -6.765 -24.400 12.118 1.00 0.00 C ATOM 1277 O GLU A 78 -7.076 -24.827 11.006 1.00 0.00 O ATOM 1278 CB GLU A 78 -6.625 -25.703 14.242 1.00 0.00 C ATOM 1279 CG GLU A 78 -7.730 -26.656 13.780 1.00 0.00 C ATOM 1280 CD GLU A 78 -8.499 -27.184 14.983 1.00 0.00 C ATOM 1281 OE1 GLU A 78 -9.360 -26.472 15.472 1.00 0.00 O ATOM 1282 OE2 GLU A 78 -8.221 -28.298 15.397 1.00 0.00 O ATOM 0 H GLU A 78 -4.721 -24.161 14.469 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.446 -26.050 12.473 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.956 -26.214 14.934 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.059 -24.861 14.781 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.409 -26.138 13.103 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.296 -27.486 13.223 1.00 0.00 H new ATOM 1289 N LYS A 79 -7.192 -23.234 12.594 1.00 0.00 N ATOM 1290 CA LYS A 79 -8.073 -22.380 11.811 1.00 0.00 C ATOM 1291 C LYS A 79 -7.358 -21.898 10.565 1.00 0.00 C ATOM 1292 O LYS A 79 -7.940 -21.849 9.488 1.00 0.00 O ATOM 1293 CB LYS A 79 -8.535 -21.183 12.642 1.00 0.00 C ATOM 1294 CG LYS A 79 -9.532 -21.651 13.704 1.00 0.00 C ATOM 1295 CD LYS A 79 -10.027 -20.444 14.502 1.00 0.00 C ATOM 1296 CE LYS A 79 -11.029 -20.907 15.563 1.00 0.00 C ATOM 1297 NZ LYS A 79 -12.290 -21.341 14.895 1.00 0.00 N ATOM 0 H LYS A 79 -6.944 -22.863 13.511 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.948 -22.961 11.518 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.679 -20.705 13.118 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.999 -20.437 11.997 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.373 -22.158 13.231 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.059 -22.372 14.370 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.186 -19.939 14.977 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.496 -19.721 13.834 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.609 -21.730 16.142 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.235 -20.097 16.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.054 -21.396 15.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.547 -20.654 14.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.150 -22.276 14.462 1.00 0.00 H new ATOM 1311 N ALA A 80 -6.089 -21.545 10.723 1.00 0.00 N ATOM 1312 CA ALA A 80 -5.302 -21.075 9.597 1.00 0.00 C ATOM 1313 C ALA A 80 -5.119 -22.197 8.584 1.00 0.00 C ATOM 1314 O ALA A 80 -5.082 -21.966 7.377 1.00 0.00 O ATOM 1315 CB ALA A 80 -3.935 -20.580 10.071 1.00 0.00 C ATOM 0 H ALA A 80 -5.589 -21.575 11.612 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.832 -20.248 9.125 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.357 -20.231 9.215 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.070 -19.760 10.776 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.402 -21.396 10.560 1.00 0.00 H new ATOM 1321 N LEU A 81 -5.000 -23.417 9.084 1.00 0.00 N ATOM 1322 CA LEU A 81 -4.819 -24.564 8.206 1.00 0.00 C ATOM 1323 C LEU A 81 -6.037 -24.751 7.310 1.00 0.00 C ATOM 1324 O LEU A 81 -5.905 -24.997 6.112 1.00 0.00 O ATOM 1325 CB LEU A 81 -4.596 -25.835 9.037 1.00 0.00 C ATOM 1326 CG LEU A 81 -4.542 -27.069 8.118 1.00 0.00 C ATOM 1327 CD1 LEU A 81 -3.459 -26.879 7.044 1.00 0.00 C ATOM 1328 CD2 LEU A 81 -4.224 -28.312 8.958 1.00 0.00 C ATOM 0 H LEU A 81 -5.025 -23.638 10.079 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.945 -24.381 7.581 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.667 -25.751 9.600 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.400 -25.949 9.764 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.507 -27.195 7.627 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.428 -27.757 6.399 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.690 -25.997 6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.489 -26.748 7.524 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.185 -29.188 8.311 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.261 -28.181 9.451 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.000 -28.451 9.710 1.00 0.00 H new ATOM 1340 N GLY A 82 -7.221 -24.644 7.904 1.00 0.00 N ATOM 1341 CA GLY A 82 -8.464 -24.818 7.157 1.00 0.00 C ATOM 1342 C GLY A 82 -8.924 -23.500 6.557 1.00 0.00 C ATOM 1343 O GLY A 82 -9.578 -23.470 5.515 1.00 0.00 O ATOM 0 H GLY A 82 -7.347 -24.439 8.895 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.317 -25.552 6.364 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.237 -25.212 7.816 1.00 0.00 H new ATOM 1347 N LEU A 83 -8.577 -22.411 7.229 1.00 0.00 N ATOM 1348 CA LEU A 83 -8.953 -21.078 6.771 1.00 0.00 C ATOM 1349 C LEU A 83 -10.449 -21.019 6.476 1.00 0.00 C ATOM 1350 O LEU A 83 -10.949 -20.029 5.940 1.00 0.00 O ATOM 1351 CB LEU A 83 -8.141 -20.715 5.508 1.00 0.00 C ATOM 1352 CG LEU A 83 -6.900 -19.883 5.892 1.00 0.00 C ATOM 1353 CD1 LEU A 83 -5.822 -20.030 4.812 1.00 0.00 C ATOM 1354 CD2 LEU A 83 -7.290 -18.402 6.038 1.00 0.00 C ATOM 0 H LEU A 83 -8.036 -22.423 8.093 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.731 -20.356 7.557 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.833 -21.624 4.992 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.766 -20.151 4.815 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.507 -20.245 6.842 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.948 -19.440 5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.539 -21.079 4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.212 -19.676 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.410 -17.819 6.309 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.690 -18.036 5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.047 -18.300 6.816 1.00 0.00 H new