USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 41 SER OG : rot 87:sc= 1.21 USER MOD Single : A 42 LYS NZ :NH3+ -179:sc= 1.18 (180deg=1.17) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.341 K(o=0.34,f=-0.27) USER MOD Single : A 50 SER OG : rot 74:sc= 0.0419 USER MOD Single : A 51 HIS : no HD1:sc= 0.22 K(o=0.22,f=-4.1!) USER MOD Single : A 52 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0118) USER MOD Single : A 53 ASN : amide:sc= -0.0698 X(o=-0.07,f=-0.07) USER MOD Single : A 61 GLN : amide:sc= 0.979 K(o=0.98,f=-5!) USER MOD Single : A 64 TYR OH : rot 60:sc= -0.103 USER MOD Single : A 66 SER OG : rot 64:sc= 0.181 USER MOD Single : A 68 THR OG1 : rot -168:sc= 0.577 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.778! C(o=-0.78!,f=-9.8!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0.214 USER MOD Single : A 85 TYR OH : rot 150:sc= 0 USER MOD Single : A 88 SER OG : rot 89:sc= 1.22 USER MOD Single : A 105 CYS SG : rot 73:sc= -1.13 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 35 2.637 -7.669 0.343 1.00 0.00 N ATOM 45 CA LEU A 35 3.215 -8.997 0.081 1.00 0.00 C ATOM 46 C LEU A 35 2.139 -9.829 -0.622 1.00 0.00 C ATOM 47 O LEU A 35 0.978 -9.437 -0.592 1.00 0.00 O ATOM 48 CB LEU A 35 3.664 -9.681 1.394 1.00 0.00 C ATOM 49 CG LEU A 35 4.992 -9.209 2.028 1.00 0.00 C ATOM 50 CD1 LEU A 35 6.184 -9.387 1.073 1.00 0.00 C ATOM 51 CD2 LEU A 35 4.944 -7.764 2.530 1.00 0.00 C ATOM 0 HA LEU A 35 4.103 -8.905 -0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.873 -9.545 2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.744 -10.752 1.205 1.00 0.00 H new ATOM 0 HG LEU A 35 5.134 -9.854 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.096 -9.042 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.288 -10.440 0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.015 -8.805 0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.908 -7.497 2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.723 -7.097 1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.167 -7.668 3.288 1.00 0.00 H new ATOM 63 N GLU A 36 2.465 -10.985 -1.215 1.00 0.00 N ATOM 64 CA GLU A 36 1.496 -11.732 -2.027 1.00 0.00 C ATOM 65 C GLU A 36 0.250 -12.076 -1.223 1.00 0.00 C ATOM 66 O GLU A 36 -0.856 -11.702 -1.612 1.00 0.00 O ATOM 67 CB GLU A 36 2.133 -12.976 -2.667 1.00 0.00 C ATOM 68 CG GLU A 36 1.147 -13.740 -3.561 1.00 0.00 C ATOM 69 CD GLU A 36 1.853 -14.875 -4.326 1.00 0.00 C ATOM 70 OE1 GLU A 36 2.350 -14.634 -5.455 1.00 0.00 O ATOM 71 OE2 GLU A 36 1.917 -16.015 -3.804 1.00 0.00 O ATOM 0 H GLU A 36 3.385 -11.420 -1.149 1.00 0.00 H new ATOM 0 HA GLU A 36 1.181 -11.084 -2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.998 -12.675 -3.258 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.498 -13.639 -1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.344 -14.154 -2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.686 -13.052 -4.270 1.00 0.00 H new ATOM 78 N ALA A 37 0.422 -12.734 -0.078 1.00 0.00 N ATOM 79 CA ALA A 37 -0.716 -13.187 0.715 1.00 0.00 C ATOM 80 C ALA A 37 -1.493 -12.003 1.306 1.00 0.00 C ATOM 81 O ALA A 37 -2.713 -12.070 1.453 1.00 0.00 O ATOM 82 CB ALA A 37 -0.275 -14.170 1.802 1.00 0.00 C ATOM 0 H ALA A 37 1.333 -12.964 0.318 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.395 -13.718 0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.144 -14.490 2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.194 -15.038 1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.439 -13.682 2.465 1.00 0.00 H new ATOM 88 N ASP A 38 -0.800 -10.903 1.613 1.00 0.00 N ATOM 89 CA ASP A 38 -1.430 -9.686 2.126 1.00 0.00 C ATOM 90 C ASP A 38 -2.252 -8.999 1.033 1.00 0.00 C ATOM 91 O ASP A 38 -3.379 -8.570 1.284 1.00 0.00 O ATOM 92 CB ASP A 38 -0.350 -8.738 2.657 1.00 0.00 C ATOM 93 CG ASP A 38 -0.966 -7.531 3.369 1.00 0.00 C ATOM 94 OD1 ASP A 38 -1.613 -7.719 4.424 1.00 0.00 O ATOM 95 OD2 ASP A 38 -0.796 -6.386 2.887 1.00 0.00 O ATOM 0 H ASP A 38 0.213 -10.832 1.513 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.107 -9.953 2.938 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.301 -9.276 3.346 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.274 -8.396 1.831 1.00 0.00 H new ATOM 100 N LEU A 39 -1.721 -8.951 -0.197 1.00 0.00 N ATOM 101 CA LEU A 39 -2.352 -8.330 -1.354 1.00 0.00 C ATOM 102 C LEU A 39 -3.657 -9.030 -1.645 1.00 0.00 C ATOM 103 O LEU A 39 -4.707 -8.385 -1.691 1.00 0.00 O ATOM 104 CB LEU A 39 -1.413 -8.406 -2.577 1.00 0.00 C ATOM 105 CG LEU A 39 -1.979 -7.770 -3.870 1.00 0.00 C ATOM 106 CD1 LEU A 39 -0.828 -7.219 -4.719 1.00 0.00 C ATOM 107 CD2 LEU A 39 -2.792 -8.743 -4.740 1.00 0.00 C ATOM 0 H LEU A 39 -0.811 -9.358 -0.413 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.550 -7.280 -1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.474 -7.913 -2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.181 -9.452 -2.775 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.657 -6.982 -3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.229 -6.772 -5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.286 -6.463 -4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.149 -8.030 -4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.154 -8.223 -5.627 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.159 -9.577 -5.042 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.640 -9.120 -4.169 1.00 0.00 H new ATOM 119 N VAL A 40 -3.579 -10.348 -1.831 1.00 0.00 N ATOM 120 CA VAL A 40 -4.733 -11.128 -2.233 1.00 0.00 C ATOM 121 C VAL A 40 -5.800 -11.032 -1.139 1.00 0.00 C ATOM 122 O VAL A 40 -6.952 -10.772 -1.468 1.00 0.00 O ATOM 123 CB VAL A 40 -4.315 -12.564 -2.636 1.00 0.00 C ATOM 124 CG1 VAL A 40 -3.301 -12.502 -3.796 1.00 0.00 C ATOM 125 CG2 VAL A 40 -3.741 -13.367 -1.467 1.00 0.00 C ATOM 0 H VAL A 40 -2.725 -10.891 -1.708 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.189 -10.725 -3.137 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.216 -13.087 -2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.008 -13.513 -4.078 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.757 -12.004 -4.652 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.420 -11.944 -3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.466 -14.364 -1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.858 -12.861 -1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.490 -13.448 -0.679 1.00 0.00 H new ATOM 135 N SER A 41 -5.427 -11.116 0.150 1.00 0.00 N ATOM 136 CA SER A 41 -6.386 -11.043 1.250 1.00 0.00 C ATOM 137 C SER A 41 -7.061 -9.671 1.331 1.00 0.00 C ATOM 138 O SER A 41 -8.284 -9.613 1.406 1.00 0.00 O ATOM 139 CB SER A 41 -5.702 -11.397 2.579 1.00 0.00 C ATOM 140 OG SER A 41 -5.137 -12.698 2.520 1.00 0.00 O ATOM 0 H SER A 41 -4.459 -11.235 0.450 1.00 0.00 H new ATOM 0 HA SER A 41 -7.171 -11.774 1.054 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.924 -10.666 2.799 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.426 -11.346 3.392 1.00 0.00 H new ATOM 0 HG SER A 41 -4.233 -12.646 2.144 1.00 0.00 H new ATOM 146 N LYS A 42 -6.317 -8.560 1.274 1.00 0.00 N ATOM 147 CA LYS A 42 -6.919 -7.223 1.373 1.00 0.00 C ATOM 148 C LYS A 42 -7.783 -6.934 0.152 1.00 0.00 C ATOM 149 O LYS A 42 -8.875 -6.405 0.320 1.00 0.00 O ATOM 150 CB LYS A 42 -5.834 -6.150 1.529 1.00 0.00 C ATOM 151 CG LYS A 42 -5.291 -6.119 2.966 1.00 0.00 C ATOM 152 CD LYS A 42 -4.114 -5.141 3.055 1.00 0.00 C ATOM 153 CE LYS A 42 -3.551 -5.102 4.480 1.00 0.00 C ATOM 154 NZ LYS A 42 -2.174 -4.544 4.511 1.00 0.00 N ATOM 0 H LYS A 42 -5.303 -8.559 1.161 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.554 -7.199 2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.019 -6.348 0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.244 -5.174 1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.079 -5.818 3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.970 -7.117 3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.332 -5.441 2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.440 -4.144 2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.202 -4.499 5.112 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.545 -6.109 4.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.819 -4.549 5.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.551 -5.124 3.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.187 -3.568 4.152 1.00 0.00 H new ATOM 168 N MET A 43 -7.350 -7.292 -1.057 1.00 0.00 N ATOM 169 CA MET A 43 -8.145 -7.024 -2.255 1.00 0.00 C ATOM 170 C MET A 43 -9.398 -7.903 -2.275 1.00 0.00 C ATOM 171 O MET A 43 -10.483 -7.384 -2.517 1.00 0.00 O ATOM 172 CB MET A 43 -7.293 -7.192 -3.521 1.00 0.00 C ATOM 173 CG MET A 43 -6.255 -6.068 -3.655 1.00 0.00 C ATOM 174 SD MET A 43 -5.457 -5.987 -5.280 1.00 0.00 S ATOM 175 CE MET A 43 -4.328 -4.588 -5.058 1.00 0.00 C ATOM 0 H MET A 43 -6.463 -7.763 -1.232 1.00 0.00 H new ATOM 0 HA MET A 43 -8.480 -5.987 -2.233 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.785 -8.156 -3.494 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.940 -7.197 -4.398 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.741 -5.113 -3.453 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.488 -6.203 -2.892 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.770 -4.421 -5.979 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.901 -3.693 -4.814 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.633 -4.806 -4.247 1.00 0.00 H new ATOM 185 N LEU A 44 -9.292 -9.190 -1.921 1.00 0.00 N ATOM 186 CA LEU A 44 -10.430 -10.088 -1.691 1.00 0.00 C ATOM 187 C LEU A 44 -11.429 -9.418 -0.756 1.00 0.00 C ATOM 188 O LEU A 44 -12.589 -9.215 -1.105 1.00 0.00 O ATOM 189 CB LEU A 44 -9.877 -11.395 -1.079 1.00 0.00 C ATOM 190 CG LEU A 44 -10.894 -12.379 -0.495 1.00 0.00 C ATOM 191 CD1 LEU A 44 -11.670 -13.065 -1.613 1.00 0.00 C ATOM 192 CD2 LEU A 44 -10.171 -13.426 0.350 1.00 0.00 C ATOM 0 H LEU A 44 -8.390 -9.646 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.951 -10.313 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.308 -11.915 -1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.174 -11.128 -0.290 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.596 -11.829 0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.389 -13.762 -1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.199 -12.315 -2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.978 -13.609 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.898 -14.125 0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.460 -13.969 -0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.638 -12.933 1.163 1.00 0.00 H new ATOM 204 N ARG A 45 -10.948 -9.030 0.422 1.00 0.00 N ATOM 205 CA ARG A 45 -11.716 -8.328 1.439 1.00 0.00 C ATOM 206 C ARG A 45 -12.363 -7.075 0.869 1.00 0.00 C ATOM 207 O ARG A 45 -13.534 -6.841 1.141 1.00 0.00 O ATOM 208 CB ARG A 45 -10.751 -8.086 2.605 1.00 0.00 C ATOM 209 CG ARG A 45 -11.142 -7.038 3.643 1.00 0.00 C ATOM 210 CD ARG A 45 -10.594 -5.635 3.337 1.00 0.00 C ATOM 211 NE ARG A 45 -10.460 -4.896 4.596 1.00 0.00 N ATOM 212 CZ ARG A 45 -10.321 -3.579 4.771 1.00 0.00 C ATOM 213 NH1 ARG A 45 -9.994 -2.785 3.751 1.00 0.00 N ATOM 214 NH2 ARG A 45 -10.516 -3.073 5.979 1.00 0.00 N ATOM 0 H ARG A 45 -9.982 -9.202 0.701 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.565 -8.907 1.802 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.607 -9.034 3.123 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.785 -7.801 2.188 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.229 -6.989 3.706 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.780 -7.355 4.621 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.628 -5.708 2.837 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.265 -5.107 2.659 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.475 -5.459 5.446 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.847 -3.182 2.823 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.891 -1.781 3.899 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.767 -3.686 6.754 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.415 -2.070 6.134 1.00 0.00 H new ATOM 228 N ALA A 46 -11.654 -6.287 0.067 1.00 0.00 N ATOM 229 CA ALA A 46 -12.203 -5.048 -0.450 1.00 0.00 C ATOM 230 C ALA A 46 -13.366 -5.323 -1.398 1.00 0.00 C ATOM 231 O ALA A 46 -14.403 -4.675 -1.267 1.00 0.00 O ATOM 232 CB ALA A 46 -11.104 -4.225 -1.126 1.00 0.00 C ATOM 0 H ALA A 46 -10.701 -6.488 -0.236 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.596 -4.463 0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.528 -3.297 -1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.324 -3.994 -0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.676 -4.797 -1.950 1.00 0.00 H new ATOM 238 N VAL A 47 -13.240 -6.314 -2.288 1.00 0.00 N ATOM 239 CA VAL A 47 -14.338 -6.700 -3.174 1.00 0.00 C ATOM 240 C VAL A 47 -15.535 -7.115 -2.315 1.00 0.00 C ATOM 241 O VAL A 47 -16.653 -6.665 -2.547 1.00 0.00 O ATOM 242 CB VAL A 47 -13.884 -7.826 -4.130 1.00 0.00 C ATOM 243 CG1 VAL A 47 -15.029 -8.368 -4.990 1.00 0.00 C ATOM 244 CG2 VAL A 47 -12.792 -7.310 -5.080 1.00 0.00 C ATOM 0 H VAL A 47 -12.388 -6.861 -2.412 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.638 -5.860 -3.800 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.510 -8.629 -3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.653 -9.156 -5.642 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.809 -8.772 -4.345 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.442 -7.562 -5.596 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.481 -8.113 -5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.184 -6.480 -5.668 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.935 -6.970 -4.499 1.00 0.00 H new ATOM 254 N LEU A 48 -15.296 -7.921 -1.277 1.00 0.00 N ATOM 255 CA LEU A 48 -16.354 -8.407 -0.397 1.00 0.00 C ATOM 256 C LEU A 48 -17.045 -7.258 0.347 1.00 0.00 C ATOM 257 O LEU A 48 -18.253 -7.320 0.558 1.00 0.00 O ATOM 258 CB LEU A 48 -15.759 -9.416 0.593 1.00 0.00 C ATOM 259 CG LEU A 48 -15.254 -10.699 -0.087 1.00 0.00 C ATOM 260 CD1 LEU A 48 -14.261 -11.394 0.835 1.00 0.00 C ATOM 261 CD2 LEU A 48 -16.408 -11.657 -0.362 1.00 0.00 C ATOM 0 H LEU A 48 -14.365 -8.253 -1.026 1.00 0.00 H new ATOM 0 HA LEU A 48 -17.116 -8.895 -1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.934 -8.947 1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.514 -9.677 1.335 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.782 -10.427 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.899 -12.305 0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.420 -10.729 1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.752 -11.646 1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.027 -12.557 -0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.891 -11.925 0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.133 -11.175 -1.017 1.00 0.00 H new ATOM 273 N GLN A 49 -16.304 -6.224 0.751 1.00 0.00 N ATOM 274 CA GLN A 49 -16.857 -5.061 1.439 1.00 0.00 C ATOM 275 C GLN A 49 -17.674 -4.177 0.487 1.00 0.00 C ATOM 276 O GLN A 49 -18.694 -3.632 0.914 1.00 0.00 O ATOM 277 CB GLN A 49 -15.738 -4.281 2.162 1.00 0.00 C ATOM 278 CG GLN A 49 -15.282 -5.092 3.391 1.00 0.00 C ATOM 279 CD GLN A 49 -14.212 -4.469 4.290 1.00 0.00 C ATOM 280 OE1 GLN A 49 -13.593 -3.453 3.978 1.00 0.00 O ATOM 281 NE2 GLN A 49 -13.982 -5.096 5.440 1.00 0.00 N ATOM 0 H GLN A 49 -15.295 -6.172 0.608 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.555 -5.409 2.201 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.898 -4.113 1.488 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.100 -3.300 2.470 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -16.160 -5.296 4.004 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.908 -6.054 3.040 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.508 -5.937 5.676 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -13.279 -4.736 6.086 1.00 0.00 H new ATOM 290 N SER A 50 -17.298 -4.072 -0.790 1.00 0.00 N ATOM 291 CA SER A 50 -18.136 -3.432 -1.802 1.00 0.00 C ATOM 292 C SER A 50 -19.396 -4.263 -2.088 1.00 0.00 C ATOM 293 O SER A 50 -20.480 -3.698 -2.268 1.00 0.00 O ATOM 294 CB SER A 50 -17.329 -3.243 -3.093 1.00 0.00 C ATOM 295 OG SER A 50 -16.169 -2.458 -2.848 1.00 0.00 O ATOM 0 H SER A 50 -16.411 -4.426 -1.148 1.00 0.00 H new ATOM 0 HA SER A 50 -18.453 -2.461 -1.422 1.00 0.00 H new ATOM 0 HB2 SER A 50 -17.039 -4.215 -3.493 1.00 0.00 H new ATOM 0 HB3 SER A 50 -17.949 -2.760 -3.848 1.00 0.00 H new ATOM 0 HG SER A 50 -15.509 -2.993 -2.359 1.00 0.00 H new ATOM 301 N HIS A 51 -19.281 -5.595 -2.067 1.00 0.00 N ATOM 302 CA HIS A 51 -20.318 -6.516 -2.527 1.00 0.00 C ATOM 303 C HIS A 51 -21.044 -7.116 -1.320 1.00 0.00 C ATOM 304 O HIS A 51 -20.994 -8.323 -1.084 1.00 0.00 O ATOM 305 CB HIS A 51 -19.695 -7.576 -3.453 1.00 0.00 C ATOM 306 CG HIS A 51 -19.099 -7.039 -4.742 1.00 0.00 C ATOM 307 ND1 HIS A 51 -18.858 -5.698 -5.073 1.00 0.00 N ATOM 308 CD2 HIS A 51 -18.698 -7.821 -5.780 1.00 0.00 C ATOM 309 CE1 HIS A 51 -18.309 -5.721 -6.299 1.00 0.00 C ATOM 310 NE2 HIS A 51 -18.214 -6.980 -6.754 1.00 0.00 N ATOM 0 H HIS A 51 -18.447 -6.070 -1.722 1.00 0.00 H new ATOM 0 HA HIS A 51 -21.069 -5.988 -3.115 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -18.915 -8.103 -2.903 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -20.460 -8.311 -3.704 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -18.750 -8.899 -5.830 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -17.988 -4.846 -6.844 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -17.847 -7.263 -7.663 1.00 0.00 H new ATOM 318 N LYS A 52 -21.734 -6.277 -0.537 1.00 0.00 N ATOM 319 CA LYS A 52 -22.403 -6.689 0.710 1.00 0.00 C ATOM 320 C LYS A 52 -23.459 -7.779 0.521 1.00 0.00 C ATOM 321 O LYS A 52 -23.736 -8.507 1.473 1.00 0.00 O ATOM 322 CB LYS A 52 -23.035 -5.473 1.413 1.00 0.00 C ATOM 323 CG LYS A 52 -22.025 -4.503 2.040 1.00 0.00 C ATOM 324 CD LYS A 52 -21.209 -5.153 3.175 1.00 0.00 C ATOM 325 CE LYS A 52 -20.351 -4.130 3.941 1.00 0.00 C ATOM 326 NZ LYS A 52 -21.153 -3.191 4.779 1.00 0.00 N ATOM 0 H LYS A 52 -21.846 -5.286 -0.750 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.619 -7.121 1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -23.643 -4.928 0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -23.709 -5.830 2.192 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.345 -4.143 1.268 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -22.555 -3.634 2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -21.888 -5.647 3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -20.563 -5.925 2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -19.647 -4.663 4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.761 -3.555 3.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.513 -2.563 5.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -21.771 -2.621 4.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -21.735 -3.734 5.449 1.00 0.00 H new ATOM 340 N ASN A 53 -24.032 -7.926 -0.679 1.00 0.00 N ATOM 341 CA ASN A 53 -24.955 -9.025 -0.988 1.00 0.00 C ATOM 342 C ASN A 53 -24.272 -10.405 -0.923 1.00 0.00 C ATOM 343 O ASN A 53 -24.958 -11.428 -0.905 1.00 0.00 O ATOM 344 CB ASN A 53 -25.574 -8.788 -2.377 1.00 0.00 C ATOM 345 CG ASN A 53 -26.644 -9.826 -2.729 1.00 0.00 C ATOM 346 OD1 ASN A 53 -26.446 -10.682 -3.590 1.00 0.00 O ATOM 347 ND2 ASN A 53 -27.796 -9.775 -2.076 1.00 0.00 N ATOM 0 H ASN A 53 -23.870 -7.290 -1.460 1.00 0.00 H new ATOM 0 HA ASN A 53 -25.737 -9.033 -0.229 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -26.015 -7.792 -2.409 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -24.787 -8.813 -3.131 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -28.531 -10.451 -2.285 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -27.948 -9.060 -1.364 1.00 0.00 H new ATOM 354 N GLY A 54 -22.939 -10.441 -0.860 1.00 0.00 N ATOM 355 CA GLY A 54 -22.140 -11.646 -0.926 1.00 0.00 C ATOM 356 C GLY A 54 -21.928 -12.071 -2.374 1.00 0.00 C ATOM 357 O GLY A 54 -22.593 -11.580 -3.290 1.00 0.00 O ATOM 0 H GLY A 54 -22.376 -9.597 -0.758 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -21.176 -11.476 -0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -22.634 -12.447 -0.375 1.00 0.00 H new ATOM 361 N ILE A 55 -20.987 -12.992 -2.587 1.00 0.00 N ATOM 362 CA ILE A 55 -20.602 -13.469 -3.908 1.00 0.00 C ATOM 363 C ILE A 55 -20.339 -14.960 -3.801 1.00 0.00 C ATOM 364 O ILE A 55 -19.541 -15.388 -2.977 1.00 0.00 O ATOM 365 CB ILE A 55 -19.395 -12.660 -4.467 1.00 0.00 C ATOM 366 CG1 ILE A 55 -18.375 -12.154 -3.411 1.00 0.00 C ATOM 367 CG2 ILE A 55 -19.899 -11.454 -5.266 1.00 0.00 C ATOM 368 CD1 ILE A 55 -17.263 -11.246 -3.961 1.00 0.00 C ATOM 0 H ILE A 55 -20.464 -13.433 -1.830 1.00 0.00 H new ATOM 0 HA ILE A 55 -21.402 -13.311 -4.631 1.00 0.00 H new ATOM 0 HB ILE A 55 -18.856 -13.374 -5.090 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -18.917 -11.611 -2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -17.914 -13.017 -2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -19.049 -10.893 -5.654 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -20.515 -11.799 -6.096 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -20.493 -10.810 -4.617 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.603 -10.946 -3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -16.689 -11.788 -4.713 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -17.708 -10.360 -4.413 1.00 0.00 H new ATOM 380 N VAL A 56 -21.057 -15.747 -4.599 1.00 0.00 N ATOM 381 CA VAL A 56 -20.904 -17.201 -4.694 1.00 0.00 C ATOM 382 C VAL A 56 -19.458 -17.536 -5.072 1.00 0.00 C ATOM 383 O VAL A 56 -18.880 -16.751 -5.813 1.00 0.00 O ATOM 384 CB VAL A 56 -21.940 -17.747 -5.707 1.00 0.00 C ATOM 385 CG1 VAL A 56 -23.367 -17.653 -5.150 1.00 0.00 C ATOM 386 CG2 VAL A 56 -21.888 -17.037 -7.076 1.00 0.00 C ATOM 0 H VAL A 56 -21.783 -15.382 -5.216 1.00 0.00 H new ATOM 0 HA VAL A 56 -21.099 -17.683 -3.736 1.00 0.00 H new ATOM 0 HB VAL A 56 -21.669 -18.791 -5.862 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -24.071 -18.044 -5.885 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -23.439 -18.237 -4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -23.606 -16.611 -4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -22.639 -17.468 -7.738 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -22.089 -15.974 -6.942 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -20.899 -17.167 -7.516 1.00 0.00 H new ATOM 396 N LEU A 57 -18.854 -18.660 -4.656 1.00 0.00 N ATOM 397 CA LEU A 57 -17.418 -18.903 -4.931 1.00 0.00 C ATOM 398 C LEU A 57 -16.966 -18.716 -6.404 1.00 0.00 C ATOM 399 O LEU A 57 -15.871 -18.197 -6.598 1.00 0.00 O ATOM 400 CB LEU A 57 -16.822 -20.166 -4.260 1.00 0.00 C ATOM 401 CG LEU A 57 -16.872 -21.538 -4.983 1.00 0.00 C ATOM 402 CD1 LEU A 57 -15.952 -21.631 -6.215 1.00 0.00 C ATOM 403 CD2 LEU A 57 -16.406 -22.623 -4.001 1.00 0.00 C ATOM 0 H LEU A 57 -19.321 -19.405 -4.138 1.00 0.00 H new ATOM 0 HA LEU A 57 -16.955 -18.065 -4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.775 -19.953 -4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.325 -20.289 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 57 -17.901 -21.667 -5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -16.044 -22.620 -6.664 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -16.241 -20.873 -6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.918 -21.466 -5.911 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -16.435 -23.595 -4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -15.387 -22.409 -3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -17.065 -22.636 -3.133 1.00 0.00 H new ATOM 415 N PRO A 58 -17.743 -19.056 -7.462 1.00 0.00 N ATOM 416 CA PRO A 58 -17.288 -18.777 -8.827 1.00 0.00 C ATOM 417 C PRO A 58 -17.344 -17.273 -9.141 1.00 0.00 C ATOM 418 O PRO A 58 -16.437 -16.728 -9.774 1.00 0.00 O ATOM 419 CB PRO A 58 -18.190 -19.610 -9.745 1.00 0.00 C ATOM 420 CG PRO A 58 -19.469 -19.811 -8.937 1.00 0.00 C ATOM 421 CD PRO A 58 -18.962 -19.868 -7.495 1.00 0.00 C ATOM 0 HA PRO A 58 -16.243 -19.050 -8.970 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -18.390 -19.092 -10.683 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.727 -20.563 -10.000 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -20.172 -18.992 -9.085 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.985 -20.729 -9.220 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.709 -19.478 -6.803 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.755 -20.895 -7.195 1.00 0.00 H new ATOM 429 N ARG A 59 -18.367 -16.571 -8.640 1.00 0.00 N ATOM 430 CA ARG A 59 -18.445 -15.113 -8.751 1.00 0.00 C ATOM 431 C ARG A 59 -17.356 -14.454 -7.907 1.00 0.00 C ATOM 432 O ARG A 59 -16.842 -13.417 -8.314 1.00 0.00 O ATOM 433 CB ARG A 59 -19.860 -14.626 -8.375 1.00 0.00 C ATOM 434 CG ARG A 59 -20.001 -13.130 -8.677 1.00 0.00 C ATOM 435 CD ARG A 59 -21.415 -12.549 -8.570 1.00 0.00 C ATOM 436 NE ARG A 59 -21.378 -11.117 -8.925 1.00 0.00 N ATOM 437 CZ ARG A 59 -22.386 -10.239 -8.907 1.00 0.00 C ATOM 438 NH1 ARG A 59 -23.621 -10.600 -8.569 1.00 0.00 N ATOM 439 NH2 ARG A 59 -22.111 -8.985 -9.238 1.00 0.00 N ATOM 0 H ARG A 59 -19.156 -16.994 -8.151 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.266 -14.818 -9.785 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -20.607 -15.190 -8.934 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -20.047 -14.810 -7.317 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.352 -12.580 -7.995 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.631 -12.948 -9.686 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -22.092 -13.084 -9.236 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -21.798 -12.675 -7.557 1.00 0.00 H new ATOM 0 HE ARG A 59 -20.472 -10.752 -9.220 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -23.818 -11.568 -8.315 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -24.371 -9.909 -8.564 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -21.159 -8.722 -9.493 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -22.851 -8.283 -9.237 1.00 0.00 H new ATOM 453 N LEU A 60 -16.974 -15.054 -6.773 1.00 0.00 N ATOM 454 CA LEU A 60 -15.888 -14.576 -5.926 1.00 0.00 C ATOM 455 C LEU A 60 -14.652 -14.463 -6.799 1.00 0.00 C ATOM 456 O LEU A 60 -14.111 -13.373 -6.907 1.00 0.00 O ATOM 457 CB LEU A 60 -15.655 -15.515 -4.716 1.00 0.00 C ATOM 458 CG LEU A 60 -14.576 -15.098 -3.699 1.00 0.00 C ATOM 459 CD1 LEU A 60 -13.135 -15.271 -4.184 1.00 0.00 C ATOM 460 CD2 LEU A 60 -14.802 -13.668 -3.206 1.00 0.00 C ATOM 0 H LEU A 60 -17.422 -15.899 -6.417 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.137 -13.603 -5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.600 -15.619 -4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.395 -16.502 -5.099 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.694 -15.796 -2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.447 -14.952 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.954 -16.319 -4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.976 -14.665 -5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.024 -13.403 -2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.765 -12.981 -4.052 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.778 -13.599 -2.725 1.00 0.00 H new ATOM 472 N GLN A 61 -14.256 -15.564 -7.456 1.00 0.00 N ATOM 473 CA GLN A 61 -13.130 -15.602 -8.385 1.00 0.00 C ATOM 474 C GLN A 61 -13.216 -14.483 -9.427 1.00 0.00 C ATOM 475 O GLN A 61 -12.233 -13.768 -9.614 1.00 0.00 O ATOM 476 CB GLN A 61 -13.054 -16.988 -9.062 1.00 0.00 C ATOM 477 CG GLN A 61 -12.147 -17.983 -8.320 1.00 0.00 C ATOM 478 CD GLN A 61 -10.705 -17.877 -8.835 1.00 0.00 C ATOM 479 OE1 GLN A 61 -10.107 -16.808 -8.796 1.00 0.00 O ATOM 480 NE2 GLN A 61 -10.102 -18.952 -9.326 1.00 0.00 N ATOM 0 H GLN A 61 -14.721 -16.466 -7.351 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.214 -15.436 -7.817 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -14.058 -17.406 -9.131 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.689 -16.866 -10.082 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -12.174 -17.781 -7.249 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -12.517 -18.998 -8.462 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.597 -19.843 -9.360 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.144 -18.887 -9.669 1.00 0.00 H new ATOM 489 N GLY A 62 -14.370 -14.319 -10.082 1.00 0.00 N ATOM 490 CA GLY A 62 -14.538 -13.314 -11.125 1.00 0.00 C ATOM 491 C GLY A 62 -14.284 -11.904 -10.595 1.00 0.00 C ATOM 492 O GLY A 62 -13.422 -11.194 -11.105 1.00 0.00 O ATOM 0 H GLY A 62 -15.205 -14.877 -9.903 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.853 -13.523 -11.946 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.548 -13.374 -11.530 1.00 0.00 H new ATOM 496 N GLU A 63 -15.006 -11.508 -9.547 1.00 0.00 N ATOM 497 CA GLU A 63 -14.980 -10.142 -9.028 1.00 0.00 C ATOM 498 C GLU A 63 -13.614 -9.848 -8.380 1.00 0.00 C ATOM 499 O GLU A 63 -13.025 -8.778 -8.584 1.00 0.00 O ATOM 500 CB GLU A 63 -16.117 -9.991 -8.006 1.00 0.00 C ATOM 501 CG GLU A 63 -17.534 -10.214 -8.577 1.00 0.00 C ATOM 502 CD GLU A 63 -18.183 -9.003 -9.270 1.00 0.00 C ATOM 503 OE1 GLU A 63 -17.555 -7.922 -9.380 1.00 0.00 O ATOM 504 OE2 GLU A 63 -19.353 -9.155 -9.703 1.00 0.00 O ATOM 0 H GLU A 63 -15.629 -12.130 -9.032 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.123 -9.427 -9.838 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.952 -10.698 -7.193 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -16.068 -8.992 -7.574 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.490 -11.036 -9.292 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.185 -10.533 -7.764 1.00 0.00 H new ATOM 511 N TYR A 64 -13.079 -10.834 -7.647 1.00 0.00 N ATOM 512 CA TYR A 64 -11.728 -10.815 -7.106 1.00 0.00 C ATOM 513 C TYR A 64 -10.746 -10.486 -8.224 1.00 0.00 C ATOM 514 O TYR A 64 -10.019 -9.496 -8.123 1.00 0.00 O ATOM 515 CB TYR A 64 -11.414 -12.171 -6.454 1.00 0.00 C ATOM 516 CG TYR A 64 -9.959 -12.412 -6.127 1.00 0.00 C ATOM 517 CD1 TYR A 64 -9.128 -13.007 -7.094 1.00 0.00 C ATOM 518 CD2 TYR A 64 -9.432 -12.051 -4.878 1.00 0.00 C ATOM 519 CE1 TYR A 64 -7.775 -13.214 -6.817 1.00 0.00 C ATOM 520 CE2 TYR A 64 -8.075 -12.284 -4.587 1.00 0.00 C ATOM 521 CZ TYR A 64 -7.242 -12.862 -5.569 1.00 0.00 C ATOM 522 OH TYR A 64 -5.925 -13.081 -5.331 1.00 0.00 O ATOM 0 H TYR A 64 -13.592 -11.684 -7.413 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.638 -10.048 -6.337 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.994 -12.256 -5.535 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.755 -12.963 -7.121 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.536 -13.303 -8.049 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -10.070 -11.593 -4.137 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.134 -13.649 -7.570 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.674 -12.022 -3.619 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.388 -12.579 -5.979 1.00 0.00 H new ATOM 532 N ARG A 65 -10.769 -11.259 -9.314 1.00 0.00 N ATOM 533 CA ARG A 65 -9.818 -11.108 -10.403 1.00 0.00 C ATOM 534 C ARG A 65 -10.009 -9.789 -11.132 1.00 0.00 C ATOM 535 O ARG A 65 -9.034 -9.290 -11.693 1.00 0.00 O ATOM 536 CB ARG A 65 -9.912 -12.331 -11.332 1.00 0.00 C ATOM 537 CG ARG A 65 -8.771 -12.437 -12.364 1.00 0.00 C ATOM 538 CD ARG A 65 -9.202 -12.209 -13.818 1.00 0.00 C ATOM 539 NE ARG A 65 -9.283 -10.781 -14.134 1.00 0.00 N ATOM 540 CZ ARG A 65 -9.586 -10.231 -15.315 1.00 0.00 C ATOM 541 NH1 ARG A 65 -9.911 -10.993 -16.358 1.00 0.00 N ATOM 542 NH2 ARG A 65 -9.565 -8.908 -15.447 1.00 0.00 N ATOM 0 H ARG A 65 -11.450 -12.005 -9.460 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.806 -11.071 -10.000 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.920 -13.235 -10.723 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.863 -12.296 -11.863 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.000 -11.710 -12.109 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.317 -13.425 -12.284 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.492 -12.692 -14.489 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -10.172 -12.677 -13.989 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.087 -10.135 -13.369 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.931 -12.008 -16.261 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.140 -10.561 -17.253 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.319 -8.320 -14.651 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.795 -8.481 -16.344 1.00 0.00 H new ATOM 556 N SER A 66 -11.206 -9.207 -11.145 1.00 0.00 N ATOM 557 CA SER A 66 -11.387 -7.858 -11.663 1.00 0.00 C ATOM 558 C SER A 66 -10.558 -6.856 -10.847 1.00 0.00 C ATOM 559 O SER A 66 -9.921 -5.988 -11.448 1.00 0.00 O ATOM 560 CB SER A 66 -12.871 -7.464 -11.685 1.00 0.00 C ATOM 561 OG SER A 66 -13.617 -8.373 -12.480 1.00 0.00 O ATOM 0 H SER A 66 -12.060 -9.648 -10.804 1.00 0.00 H new ATOM 0 HA SER A 66 -11.030 -7.838 -12.693 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.265 -7.453 -10.669 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.979 -6.454 -12.080 1.00 0.00 H new ATOM 0 HG SER A 66 -13.590 -9.263 -12.072 1.00 0.00 H new ATOM 567 N LEU A 67 -10.519 -6.973 -9.510 1.00 0.00 N ATOM 568 CA LEU A 67 -9.711 -6.056 -8.702 1.00 0.00 C ATOM 569 C LEU A 67 -8.210 -6.398 -8.736 1.00 0.00 C ATOM 570 O LEU A 67 -7.401 -5.503 -8.985 1.00 0.00 O ATOM 571 CB LEU A 67 -10.216 -5.982 -7.248 1.00 0.00 C ATOM 572 CG LEU A 67 -9.452 -4.939 -6.397 1.00 0.00 C ATOM 573 CD1 LEU A 67 -9.521 -3.514 -6.970 1.00 0.00 C ATOM 574 CD2 LEU A 67 -10.016 -4.899 -4.976 1.00 0.00 C ATOM 0 H LEU A 67 -11.027 -7.679 -8.978 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.829 -5.072 -9.157 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.278 -5.735 -7.250 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.118 -6.964 -6.784 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.410 -5.260 -6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.965 -2.835 -6.324 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.086 -3.502 -7.969 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.561 -3.193 -7.023 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.470 -4.161 -4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.071 -4.626 -5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.910 -5.881 -4.515 1.00 0.00 H new ATOM 586 N THR A 68 -7.816 -7.647 -8.469 1.00 0.00 N ATOM 587 CA THR A 68 -6.406 -8.012 -8.287 1.00 0.00 C ATOM 588 C THR A 68 -5.659 -8.106 -9.618 1.00 0.00 C ATOM 589 O THR A 68 -4.455 -7.839 -9.668 1.00 0.00 O ATOM 590 CB THR A 68 -6.311 -9.390 -7.617 1.00 0.00 C ATOM 591 OG1 THR A 68 -7.190 -10.276 -8.286 1.00 0.00 O ATOM 592 CG2 THR A 68 -6.679 -9.326 -6.140 1.00 0.00 C ATOM 0 H THR A 68 -8.461 -8.431 -8.373 1.00 0.00 H new ATOM 0 HA THR A 68 -5.955 -7.232 -7.674 1.00 0.00 H new ATOM 0 HB THR A 68 -5.281 -9.740 -7.685 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.283 -11.100 -7.764 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.599 -10.321 -5.702 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.999 -8.647 -5.625 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.702 -8.964 -6.035 1.00 0.00 H new ATOM 600 N GLY A 69 -6.354 -8.487 -10.697 1.00 0.00 N ATOM 601 CA GLY A 69 -5.714 -8.837 -11.951 1.00 0.00 C ATOM 602 C GLY A 69 -5.029 -10.206 -11.840 1.00 0.00 C ATOM 603 O GLY A 69 -4.110 -10.485 -12.616 1.00 0.00 O ATOM 0 H GLY A 69 -7.371 -8.558 -10.716 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.454 -8.858 -12.751 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.980 -8.076 -12.216 1.00 0.00 H new ATOM 607 N ASP A 70 -5.438 -11.060 -10.890 1.00 0.00 N ATOM 608 CA ASP A 70 -4.939 -12.425 -10.713 1.00 0.00 C ATOM 609 C ASP A 70 -6.105 -13.316 -10.311 1.00 0.00 C ATOM 610 O ASP A 70 -7.108 -12.812 -9.810 1.00 0.00 O ATOM 611 CB ASP A 70 -3.856 -12.478 -9.624 1.00 0.00 C ATOM 612 CG ASP A 70 -3.067 -13.809 -9.616 1.00 0.00 C ATOM 613 OD1 ASP A 70 -3.124 -14.589 -10.602 1.00 0.00 O ATOM 614 OD2 ASP A 70 -2.371 -14.072 -8.605 1.00 0.00 O ATOM 0 H ASP A 70 -6.149 -10.808 -10.203 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.497 -12.768 -11.649 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.161 -11.651 -9.771 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.322 -12.333 -8.649 1.00 0.00 H new ATOM 619 N TRP A 71 -6.002 -14.627 -10.496 1.00 0.00 N ATOM 620 CA TRP A 71 -6.966 -15.575 -9.956 1.00 0.00 C ATOM 621 C TRP A 71 -6.568 -15.935 -8.522 1.00 0.00 C ATOM 622 O TRP A 71 -5.417 -15.737 -8.115 1.00 0.00 O ATOM 623 CB TRP A 71 -7.035 -16.810 -10.866 1.00 0.00 C ATOM 624 CG TRP A 71 -7.430 -16.494 -12.276 1.00 0.00 C ATOM 625 CD1 TRP A 71 -6.623 -16.573 -13.354 1.00 0.00 C ATOM 626 CD2 TRP A 71 -8.724 -16.037 -12.785 1.00 0.00 C ATOM 627 NE1 TRP A 71 -7.311 -16.185 -14.487 1.00 0.00 N ATOM 628 CE2 TRP A 71 -8.607 -15.814 -14.192 1.00 0.00 C ATOM 629 CE3 TRP A 71 -9.963 -15.712 -12.191 1.00 0.00 C ATOM 630 CZ2 TRP A 71 -9.666 -15.306 -14.958 1.00 0.00 C ATOM 631 CZ3 TRP A 71 -11.032 -15.206 -12.955 1.00 0.00 C ATOM 632 CH2 TRP A 71 -10.897 -15.031 -14.344 1.00 0.00 C ATOM 0 H TRP A 71 -5.246 -15.062 -11.025 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.962 -15.134 -9.925 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.062 -17.302 -10.871 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.749 -17.520 -10.448 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.592 -16.892 -13.334 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.911 -16.174 -15.425 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.093 -15.855 -11.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.535 -15.127 -16.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.963 -14.950 -12.471 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.734 -14.688 -14.933 1.00 0.00 H new ATOM 643 N ILE A 72 -7.525 -16.450 -7.747 1.00 0.00 N ATOM 644 CA ILE A 72 -7.341 -16.808 -6.346 1.00 0.00 C ATOM 645 C ILE A 72 -6.159 -17.786 -6.259 1.00 0.00 C ATOM 646 O ILE A 72 -6.153 -18.786 -6.987 1.00 0.00 O ATOM 647 CB ILE A 72 -8.649 -17.416 -5.791 1.00 0.00 C ATOM 648 CG1 ILE A 72 -9.764 -16.360 -5.608 1.00 0.00 C ATOM 649 CG2 ILE A 72 -8.419 -18.210 -4.491 1.00 0.00 C ATOM 650 CD1 ILE A 72 -9.679 -15.536 -4.319 1.00 0.00 C ATOM 0 H ILE A 72 -8.469 -16.632 -8.087 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.114 -15.933 -5.737 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.994 -18.120 -6.548 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.739 -15.678 -6.458 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.729 -16.866 -5.633 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.367 -18.617 -4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.722 -19.026 -4.682 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.005 -17.549 -3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.505 -14.825 -4.286 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.738 -16.201 -3.457 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.733 -14.995 -4.295 1.00 0.00 H new ATOM 662 N PRO A 73 -5.192 -17.563 -5.354 1.00 0.00 N ATOM 663 CA PRO A 73 -4.008 -18.398 -5.238 1.00 0.00 C ATOM 664 C PRO A 73 -4.287 -19.634 -4.360 1.00 0.00 C ATOM 665 O PRO A 73 -3.460 -19.972 -3.518 1.00 0.00 O ATOM 666 CB PRO A 73 -2.937 -17.456 -4.673 1.00 0.00 C ATOM 667 CG PRO A 73 -3.756 -16.612 -3.708 1.00 0.00 C ATOM 668 CD PRO A 73 -5.067 -16.413 -4.470 1.00 0.00 C ATOM 0 HA PRO A 73 -3.679 -18.825 -6.186 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.138 -17.999 -4.167 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.469 -16.853 -5.451 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.913 -17.121 -2.757 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.268 -15.663 -3.485 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.912 -16.353 -3.784 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.051 -15.483 -5.038 1.00 0.00 H new ATOM 676 N PHE A 74 -5.455 -20.284 -4.469 1.00 0.00 N ATOM 677 CA PHE A 74 -5.857 -21.348 -3.543 1.00 0.00 C ATOM 678 C PHE A 74 -4.841 -22.488 -3.573 1.00 0.00 C ATOM 679 O PHE A 74 -4.143 -22.722 -2.587 1.00 0.00 O ATOM 680 CB PHE A 74 -7.305 -21.824 -3.795 1.00 0.00 C ATOM 681 CG PHE A 74 -7.571 -22.582 -5.081 1.00 0.00 C ATOM 682 CD1 PHE A 74 -7.725 -21.907 -6.307 1.00 0.00 C ATOM 683 CD2 PHE A 74 -7.664 -23.985 -5.049 1.00 0.00 C ATOM 684 CE1 PHE A 74 -7.990 -22.630 -7.486 1.00 0.00 C ATOM 685 CE2 PHE A 74 -7.946 -24.704 -6.222 1.00 0.00 C ATOM 686 CZ PHE A 74 -8.109 -24.029 -7.442 1.00 0.00 C ATOM 0 H PHE A 74 -6.142 -20.087 -5.197 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.860 -20.940 -2.532 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.602 -22.460 -2.961 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.956 -20.950 -3.777 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.640 -20.831 -6.343 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.518 -24.512 -4.118 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.102 -22.108 -8.425 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.038 -25.779 -6.185 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.325 -24.583 -8.343 1.00 0.00 H new ATOM 696 N LYS A 75 -4.685 -23.147 -4.715 1.00 0.00 N ATOM 697 CA LYS A 75 -3.805 -24.299 -4.870 1.00 0.00 C ATOM 698 C LYS A 75 -2.335 -23.867 -4.804 1.00 0.00 C ATOM 699 O LYS A 75 -1.466 -24.649 -4.418 1.00 0.00 O ATOM 700 CB LYS A 75 -4.168 -24.957 -6.211 1.00 0.00 C ATOM 701 CG LYS A 75 -3.629 -26.390 -6.327 1.00 0.00 C ATOM 702 CD LYS A 75 -4.096 -27.055 -7.631 1.00 0.00 C ATOM 703 CE LYS A 75 -3.489 -28.463 -7.765 1.00 0.00 C ATOM 704 NZ LYS A 75 -3.910 -29.145 -9.018 1.00 0.00 N ATOM 0 H LYS A 75 -5.174 -22.892 -5.573 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.938 -25.018 -4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.252 -24.970 -6.324 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.769 -24.355 -7.027 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.540 -26.376 -6.293 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.967 -26.979 -5.474 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.184 -27.119 -7.644 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.802 -26.443 -8.484 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.402 -28.391 -7.742 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.787 -29.067 -6.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.476 -30.089 -9.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.946 -29.239 -9.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.603 -28.584 -9.838 1.00 0.00 H new ATOM 718 N GLN A 76 -2.074 -22.615 -5.171 1.00 0.00 N ATOM 719 CA GLN A 76 -0.769 -21.995 -5.243 1.00 0.00 C ATOM 720 C GLN A 76 -0.230 -21.762 -3.816 1.00 0.00 C ATOM 721 O GLN A 76 0.947 -22.023 -3.559 1.00 0.00 O ATOM 722 CB GLN A 76 -0.878 -20.685 -6.059 1.00 0.00 C ATOM 723 CG GLN A 76 -1.461 -20.826 -7.492 1.00 0.00 C ATOM 724 CD GLN A 76 -2.995 -20.699 -7.606 1.00 0.00 C ATOM 725 OE1 GLN A 76 -3.751 -21.285 -6.842 1.00 0.00 O ATOM 726 NE2 GLN A 76 -3.526 -19.930 -8.543 1.00 0.00 N ATOM 0 H GLN A 76 -2.819 -21.973 -5.441 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.058 -22.644 -5.753 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.499 -19.983 -5.502 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.115 -20.242 -6.133 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.004 -20.067 -8.127 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.164 -21.796 -7.891 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.922 -19.429 -9.194 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.539 -19.838 -8.614 1.00 0.00 H new ATOM 735 N LEU A 77 -1.090 -21.338 -2.880 1.00 0.00 N ATOM 736 CA LEU A 77 -0.779 -21.243 -1.449 1.00 0.00 C ATOM 737 C LEU A 77 -0.880 -22.616 -0.769 1.00 0.00 C ATOM 738 O LEU A 77 -0.197 -22.843 0.232 1.00 0.00 O ATOM 739 CB LEU A 77 -1.692 -20.221 -0.754 1.00 0.00 C ATOM 740 CG LEU A 77 -1.433 -18.752 -1.148 1.00 0.00 C ATOM 741 CD1 LEU A 77 -2.492 -17.831 -0.521 1.00 0.00 C ATOM 742 CD2 LEU A 77 -0.046 -18.240 -0.737 1.00 0.00 C ATOM 0 H LEU A 77 -2.041 -21.045 -3.102 1.00 0.00 H new ATOM 0 HA LEU A 77 0.250 -20.896 -1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.729 -20.467 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.571 -20.320 0.325 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.488 -18.729 -2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.293 -16.799 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.482 -18.122 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.453 -17.918 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.065 -17.201 -1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.062 -18.310 0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.722 -18.845 -1.218 1.00 0.00 H new ATOM 754 N GLY A 78 -1.671 -23.545 -1.322 1.00 0.00 N ATOM 755 CA GLY A 78 -1.705 -24.948 -0.907 1.00 0.00 C ATOM 756 C GLY A 78 -3.053 -25.385 -0.326 1.00 0.00 C ATOM 757 O GLY A 78 -3.146 -26.473 0.250 1.00 0.00 O ATOM 0 H GLY A 78 -2.316 -23.336 -2.084 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.468 -25.577 -1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.927 -25.117 -0.163 1.00 0.00 H new ATOM 761 N TYR A 79 -4.096 -24.565 -0.466 1.00 0.00 N ATOM 762 CA TYR A 79 -5.461 -24.919 -0.104 1.00 0.00 C ATOM 763 C TYR A 79 -6.035 -25.781 -1.231 1.00 0.00 C ATOM 764 O TYR A 79 -5.784 -25.468 -2.397 1.00 0.00 O ATOM 765 CB TYR A 79 -6.285 -23.635 0.046 1.00 0.00 C ATOM 766 CG TYR A 79 -5.660 -22.680 1.038 1.00 0.00 C ATOM 767 CD1 TYR A 79 -5.812 -22.910 2.414 1.00 0.00 C ATOM 768 CD2 TYR A 79 -4.914 -21.577 0.585 1.00 0.00 C ATOM 769 CE1 TYR A 79 -5.196 -22.055 3.337 1.00 0.00 C ATOM 770 CE2 TYR A 79 -4.302 -20.709 1.507 1.00 0.00 C ATOM 771 CZ TYR A 79 -4.436 -20.947 2.895 1.00 0.00 C ATOM 772 OH TYR A 79 -3.849 -20.126 3.813 1.00 0.00 O ATOM 0 H TYR A 79 -4.010 -23.620 -0.841 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.488 -25.468 0.837 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.374 -23.145 -0.924 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.295 -23.887 0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.403 -23.745 2.761 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.811 -21.396 -0.475 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.302 -22.243 4.395 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.731 -19.862 1.156 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.362 -19.413 3.350 1.00 0.00 H new ATOM 782 N PRO A 80 -6.810 -26.835 -0.938 1.00 0.00 N ATOM 783 CA PRO A 80 -7.252 -27.746 -1.985 1.00 0.00 C ATOM 784 C PRO A 80 -8.286 -27.125 -2.926 1.00 0.00 C ATOM 785 O PRO A 80 -8.351 -27.522 -4.090 1.00 0.00 O ATOM 786 CB PRO A 80 -7.813 -28.970 -1.248 1.00 0.00 C ATOM 787 CG PRO A 80 -8.262 -28.389 0.094 1.00 0.00 C ATOM 788 CD PRO A 80 -7.176 -27.348 0.371 1.00 0.00 C ATOM 0 HA PRO A 80 -6.422 -28.009 -2.641 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.644 -29.422 -1.790 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.057 -29.745 -1.120 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.253 -27.938 0.032 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.306 -29.150 0.873 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.546 -26.553 1.018 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.319 -27.795 0.874 1.00 0.00 H new ATOM 796 N THR A 81 -9.082 -26.166 -2.443 1.00 0.00 N ATOM 797 CA THR A 81 -10.229 -25.646 -3.173 1.00 0.00 C ATOM 798 C THR A 81 -10.383 -24.153 -2.901 1.00 0.00 C ATOM 799 O THR A 81 -9.797 -23.614 -1.957 1.00 0.00 O ATOM 800 CB THR A 81 -11.478 -26.428 -2.710 1.00 0.00 C ATOM 801 OG1 THR A 81 -11.515 -26.385 -1.293 1.00 0.00 O ATOM 802 CG2 THR A 81 -11.477 -27.894 -3.151 1.00 0.00 C ATOM 0 H THR A 81 -8.943 -25.731 -1.531 1.00 0.00 H new ATOM 0 HA THR A 81 -10.096 -25.772 -4.247 1.00 0.00 H new ATOM 0 HB THR A 81 -12.349 -25.960 -3.168 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.203 -27.001 -0.965 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.383 -28.383 -2.792 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.444 -27.947 -4.239 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.604 -28.398 -2.736 1.00 0.00 H new ATOM 810 N LEU A 82 -11.222 -23.490 -3.706 1.00 0.00 N ATOM 811 CA LEU A 82 -11.603 -22.098 -3.484 1.00 0.00 C ATOM 812 C LEU A 82 -12.277 -21.971 -2.133 1.00 0.00 C ATOM 813 O LEU A 82 -11.972 -21.034 -1.397 1.00 0.00 O ATOM 814 CB LEU A 82 -12.575 -21.601 -4.579 1.00 0.00 C ATOM 815 CG LEU A 82 -11.981 -21.300 -5.970 1.00 0.00 C ATOM 816 CD1 LEU A 82 -10.851 -20.277 -5.879 1.00 0.00 C ATOM 817 CD2 LEU A 82 -11.477 -22.546 -6.701 1.00 0.00 C ATOM 0 H LEU A 82 -11.654 -23.908 -4.530 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.700 -21.489 -3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.357 -22.351 -4.701 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -13.057 -20.694 -4.215 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.806 -20.891 -6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.452 -20.085 -6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.234 -19.348 -5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.058 -20.666 -5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.073 -22.260 -7.672 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.696 -23.024 -6.109 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.303 -23.243 -6.843 1.00 0.00 H new ATOM 829 N GLU A 83 -13.162 -22.911 -1.783 1.00 0.00 N ATOM 830 CA GLU A 83 -13.813 -22.863 -0.483 1.00 0.00 C ATOM 831 C GLU A 83 -12.752 -22.960 0.605 1.00 0.00 C ATOM 832 O GLU A 83 -12.780 -22.133 1.501 1.00 0.00 O ATOM 833 CB GLU A 83 -14.952 -23.895 -0.353 1.00 0.00 C ATOM 834 CG GLU A 83 -14.502 -25.360 -0.276 1.00 0.00 C ATOM 835 CD GLU A 83 -15.696 -26.313 -0.094 1.00 0.00 C ATOM 836 OE1 GLU A 83 -16.320 -26.713 -1.105 1.00 0.00 O ATOM 837 OE2 GLU A 83 -16.000 -26.662 1.072 1.00 0.00 O ATOM 0 H GLU A 83 -13.436 -23.697 -2.373 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.320 -21.906 -0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.531 -23.662 0.541 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.622 -23.782 -1.205 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.962 -25.623 -1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.807 -25.484 0.555 1.00 0.00 H new ATOM 844 N ALA A 84 -11.784 -23.884 0.528 1.00 0.00 N ATOM 845 CA ALA A 84 -10.798 -24.070 1.590 1.00 0.00 C ATOM 846 C ALA A 84 -9.943 -22.821 1.789 1.00 0.00 C ATOM 847 O ALA A 84 -9.688 -22.429 2.929 1.00 0.00 O ATOM 848 CB ALA A 84 -9.927 -25.290 1.288 1.00 0.00 C ATOM 0 H ALA A 84 -11.667 -24.515 -0.265 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.333 -24.244 2.524 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.195 -25.421 2.085 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.555 -26.178 1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.409 -25.142 0.340 1.00 0.00 H new ATOM 854 N TYR A 85 -9.554 -22.154 0.698 1.00 0.00 N ATOM 855 CA TYR A 85 -8.903 -20.853 0.774 1.00 0.00 C ATOM 856 C TYR A 85 -9.785 -19.867 1.551 1.00 0.00 C ATOM 857 O TYR A 85 -9.318 -19.243 2.503 1.00 0.00 O ATOM 858 CB TYR A 85 -8.575 -20.348 -0.638 1.00 0.00 C ATOM 859 CG TYR A 85 -8.146 -18.899 -0.646 1.00 0.00 C ATOM 860 CD1 TYR A 85 -6.859 -18.547 -0.206 1.00 0.00 C ATOM 861 CD2 TYR A 85 -9.041 -17.906 -1.078 1.00 0.00 C ATOM 862 CE1 TYR A 85 -6.465 -17.198 -0.162 1.00 0.00 C ATOM 863 CE2 TYR A 85 -8.654 -16.557 -1.042 1.00 0.00 C ATOM 864 CZ TYR A 85 -7.367 -16.193 -0.580 1.00 0.00 C ATOM 865 OH TYR A 85 -7.004 -14.880 -0.533 1.00 0.00 O ATOM 0 H TYR A 85 -9.682 -22.501 -0.252 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.962 -20.945 1.316 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.782 -20.961 -1.065 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.450 -20.469 -1.277 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.168 -19.318 0.101 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.023 -18.179 -1.436 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.479 -16.931 0.189 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.343 -15.792 -1.369 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.471 -14.386 -1.239 1.00 0.00 H new ATOM 875 N LEU A 86 -11.073 -19.763 1.202 1.00 0.00 N ATOM 876 CA LEU A 86 -12.007 -18.841 1.851 1.00 0.00 C ATOM 877 C LEU A 86 -12.280 -19.212 3.324 1.00 0.00 C ATOM 878 O LEU A 86 -12.400 -18.318 4.159 1.00 0.00 O ATOM 879 CB LEU A 86 -13.307 -18.777 1.029 1.00 0.00 C ATOM 880 CG LEU A 86 -13.142 -18.150 -0.370 1.00 0.00 C ATOM 881 CD1 LEU A 86 -14.291 -18.598 -1.277 1.00 0.00 C ATOM 882 CD2 LEU A 86 -13.104 -16.620 -0.290 1.00 0.00 C ATOM 0 H LEU A 86 -11.496 -20.319 0.459 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.549 -17.852 1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.703 -19.786 0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -14.048 -18.204 1.586 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.194 -18.490 -0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.170 -18.152 -2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.282 -19.684 -1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -15.240 -18.277 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -12.987 -16.206 -1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.034 -16.255 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.264 -16.309 0.332 1.00 0.00 H new ATOM 894 N ARG A 87 -12.331 -20.506 3.677 1.00 0.00 N ATOM 895 CA ARG A 87 -12.390 -20.964 5.082 1.00 0.00 C ATOM 896 C ARG A 87 -11.184 -20.432 5.864 1.00 0.00 C ATOM 897 O ARG A 87 -11.318 -20.098 7.034 1.00 0.00 O ATOM 898 CB ARG A 87 -12.371 -22.510 5.235 1.00 0.00 C ATOM 899 CG ARG A 87 -13.687 -23.305 5.148 1.00 0.00 C ATOM 900 CD ARG A 87 -14.172 -23.478 3.706 1.00 0.00 C ATOM 901 NE ARG A 87 -15.086 -24.616 3.467 1.00 0.00 N ATOM 902 CZ ARG A 87 -16.263 -24.920 4.035 1.00 0.00 C ATOM 903 NH1 ARG A 87 -16.746 -24.250 5.085 1.00 0.00 N ATOM 904 NH2 ARG A 87 -16.972 -25.923 3.532 1.00 0.00 N ATOM 0 H ARG A 87 -12.333 -21.268 2.999 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.336 -20.583 5.467 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.702 -22.904 4.470 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.918 -22.735 6.201 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.546 -24.286 5.601 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.456 -22.794 5.728 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.676 -22.561 3.399 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -13.301 -23.594 3.061 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.771 -25.276 2.756 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.215 -23.476 5.484 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -17.646 -24.513 5.488 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.619 -26.445 2.730 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.870 -26.172 3.948 1.00 0.00 H new ATOM 918 N SER A 88 -10.013 -20.374 5.228 1.00 0.00 N ATOM 919 CA SER A 88 -8.728 -20.105 5.867 1.00 0.00 C ATOM 920 C SER A 88 -8.426 -18.610 6.082 1.00 0.00 C ATOM 921 O SER A 88 -7.296 -18.269 6.436 1.00 0.00 O ATOM 922 CB SER A 88 -7.630 -20.816 5.073 1.00 0.00 C ATOM 923 OG SER A 88 -7.923 -22.205 4.992 1.00 0.00 O ATOM 0 H SER A 88 -9.932 -20.518 4.221 1.00 0.00 H new ATOM 0 HA SER A 88 -8.770 -20.504 6.880 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.557 -20.390 4.072 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.664 -20.665 5.554 1.00 0.00 H new ATOM 0 HG SER A 88 -8.471 -22.378 4.198 1.00 0.00 H new ATOM 929 N VAL A 89 -9.404 -17.710 5.913 1.00 0.00 N ATOM 930 CA VAL A 89 -9.263 -16.270 6.162 1.00 0.00 C ATOM 931 C VAL A 89 -10.370 -15.769 7.126 1.00 0.00 C ATOM 932 O VAL A 89 -10.940 -14.700 6.912 1.00 0.00 O ATOM 933 CB VAL A 89 -9.119 -15.567 4.783 1.00 0.00 C ATOM 934 CG1 VAL A 89 -10.250 -15.923 3.799 1.00 0.00 C ATOM 935 CG2 VAL A 89 -8.931 -14.048 4.839 1.00 0.00 C ATOM 0 H VAL A 89 -10.337 -17.970 5.592 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.358 -16.011 6.711 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.183 -15.977 4.404 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.090 -15.400 2.856 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.253 -16.998 3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.209 -15.623 4.222 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.841 -13.655 3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.791 -13.593 5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.027 -13.814 5.401 1.00 0.00 H new ATOM 945 N PRO A 90 -10.711 -16.480 8.225 1.00 0.00 N ATOM 946 CA PRO A 90 -11.888 -16.152 9.030 1.00 0.00 C ATOM 947 C PRO A 90 -11.745 -14.838 9.818 1.00 0.00 C ATOM 948 O PRO A 90 -12.747 -14.285 10.268 1.00 0.00 O ATOM 949 CB PRO A 90 -12.083 -17.351 9.963 1.00 0.00 C ATOM 950 CG PRO A 90 -10.657 -17.847 10.192 1.00 0.00 C ATOM 951 CD PRO A 90 -9.969 -17.570 8.860 1.00 0.00 C ATOM 0 HA PRO A 90 -12.753 -15.980 8.389 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.564 -17.061 10.897 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.709 -18.119 9.508 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.174 -17.316 11.012 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.636 -18.908 10.442 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.926 -17.291 9.013 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.972 -18.459 8.230 1.00 0.00 H new ATOM 959 N ALA A 91 -10.517 -14.329 9.993 1.00 0.00 N ATOM 960 CA ALA A 91 -10.269 -13.078 10.707 1.00 0.00 C ATOM 961 C ALA A 91 -10.534 -11.843 9.835 1.00 0.00 C ATOM 962 O ALA A 91 -10.483 -10.723 10.348 1.00 0.00 O ATOM 963 CB ALA A 91 -8.825 -13.075 11.221 1.00 0.00 C ATOM 0 H ALA A 91 -9.671 -14.777 9.642 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.965 -13.021 11.544 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.631 -12.145 11.755 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.677 -13.919 11.895 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.139 -13.159 10.378 1.00 0.00 H new ATOM 969 N VAL A 92 -10.784 -12.021 8.529 1.00 0.00 N ATOM 970 CA VAL A 92 -10.885 -10.921 7.566 1.00 0.00 C ATOM 971 C VAL A 92 -12.112 -11.112 6.651 1.00 0.00 C ATOM 972 O VAL A 92 -12.685 -10.134 6.163 1.00 0.00 O ATOM 973 CB VAL A 92 -9.560 -10.818 6.770 1.00 0.00 C ATOM 974 CG1 VAL A 92 -9.488 -9.529 5.955 1.00 0.00 C ATOM 975 CG2 VAL A 92 -8.289 -10.886 7.639 1.00 0.00 C ATOM 0 H VAL A 92 -10.922 -12.941 8.111 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.035 -9.978 8.091 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.580 -11.694 6.121 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.544 -9.495 5.411 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.316 -9.500 5.247 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.553 -8.671 6.624 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.408 -10.807 7.002 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.294 -10.065 8.356 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.265 -11.835 8.175 1.00 0.00 H new ATOM 985 N VAL A 93 -12.566 -12.352 6.460 1.00 0.00 N ATOM 986 CA VAL A 93 -13.590 -12.774 5.509 1.00 0.00 C ATOM 987 C VAL A 93 -14.530 -13.746 6.242 1.00 0.00 C ATOM 988 O VAL A 93 -14.219 -14.248 7.322 1.00 0.00 O ATOM 989 CB VAL A 93 -12.861 -13.376 4.280 1.00 0.00 C ATOM 990 CG1 VAL A 93 -13.694 -14.220 3.298 1.00 0.00 C ATOM 991 CG2 VAL A 93 -12.155 -12.254 3.500 1.00 0.00 C ATOM 0 H VAL A 93 -12.203 -13.137 7.001 1.00 0.00 H new ATOM 0 HA VAL A 93 -14.213 -11.961 5.136 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.168 -14.091 4.722 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.054 -14.575 2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.121 -15.074 3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -14.497 -13.610 2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.643 -12.678 2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -12.892 -11.525 3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.429 -11.762 4.147 1.00 0.00 H new ATOM 1001 N ARG A 94 -15.705 -13.980 5.667 1.00 0.00 N ATOM 1002 CA ARG A 94 -16.790 -14.778 6.240 1.00 0.00 C ATOM 1003 C ARG A 94 -17.416 -15.538 5.081 1.00 0.00 C ATOM 1004 O ARG A 94 -17.335 -15.072 3.948 1.00 0.00 O ATOM 1005 CB ARG A 94 -17.754 -13.817 6.964 1.00 0.00 C ATOM 1006 CG ARG A 94 -19.137 -14.384 7.342 1.00 0.00 C ATOM 1007 CD ARG A 94 -19.899 -13.464 8.308 1.00 0.00 C ATOM 1008 NE ARG A 94 -19.970 -12.067 7.825 1.00 0.00 N ATOM 1009 CZ ARG A 94 -20.180 -10.990 8.596 1.00 0.00 C ATOM 1010 NH1 ARG A 94 -20.669 -11.115 9.828 1.00 0.00 N ATOM 1011 NH2 ARG A 94 -19.892 -9.786 8.115 1.00 0.00 N ATOM 0 H ARG A 94 -15.940 -13.603 4.749 1.00 0.00 H new ATOM 0 HA ARG A 94 -16.468 -15.506 6.985 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.268 -13.469 7.875 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -17.905 -12.944 6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.728 -14.527 6.438 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -19.012 -15.365 7.800 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -20.909 -13.848 8.449 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -19.412 -13.483 9.283 1.00 0.00 H new ATOM 0 HE ARG A 94 -19.849 -11.911 6.824 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -20.889 -12.040 10.198 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -20.823 -10.286 10.402 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -19.517 -9.690 7.171 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.046 -8.957 8.689 1.00 0.00 H new ATOM 1025 N ILE A 95 -18.046 -16.679 5.329 1.00 0.00 N ATOM 1026 CA ILE A 95 -18.705 -17.466 4.289 1.00 0.00 C ATOM 1027 C ILE A 95 -19.973 -18.101 4.864 1.00 0.00 C ATOM 1028 O ILE A 95 -20.047 -18.374 6.065 1.00 0.00 O ATOM 1029 CB ILE A 95 -17.741 -18.529 3.706 1.00 0.00 C ATOM 1030 CG1 ILE A 95 -17.242 -19.543 4.752 1.00 0.00 C ATOM 1031 CG2 ILE A 95 -16.544 -17.884 2.980 1.00 0.00 C ATOM 1032 CD1 ILE A 95 -16.281 -20.597 4.198 1.00 0.00 C ATOM 0 H ILE A 95 -18.116 -17.088 6.261 1.00 0.00 H new ATOM 0 HA ILE A 95 -18.989 -16.813 3.464 1.00 0.00 H new ATOM 0 HB ILE A 95 -18.335 -19.083 2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -16.745 -19.002 5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -18.103 -20.048 5.191 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -15.893 -18.665 2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -16.907 -17.266 2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -15.984 -17.264 3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -15.978 -21.271 5.000 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -16.779 -21.167 3.414 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -15.400 -20.105 3.785 1.00 0.00 H new ATOM 1044 N GLU A 96 -20.943 -18.370 3.988 1.00 0.00 N ATOM 1045 CA GLU A 96 -22.153 -19.127 4.280 1.00 0.00 C ATOM 1046 C GLU A 96 -22.242 -20.222 3.219 1.00 0.00 C ATOM 1047 O GLU A 96 -22.604 -19.943 2.073 1.00 0.00 O ATOM 1048 CB GLU A 96 -23.392 -18.208 4.242 1.00 0.00 C ATOM 1049 CG GLU A 96 -23.528 -17.288 5.465 1.00 0.00 C ATOM 1050 CD GLU A 96 -24.109 -18.033 6.684 1.00 0.00 C ATOM 1051 OE1 GLU A 96 -23.353 -18.713 7.417 1.00 0.00 O ATOM 1052 OE2 GLU A 96 -25.338 -17.940 6.917 1.00 0.00 O ATOM 0 H GLU A 96 -20.902 -18.052 3.020 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.120 -19.560 5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.349 -17.594 3.342 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -24.287 -18.825 4.164 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -22.551 -16.879 5.722 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -24.171 -16.444 5.215 1.00 0.00 H new ATOM 1059 N ALA A 97 -21.853 -21.447 3.568 1.00 0.00 N ATOM 1060 CA ALA A 97 -22.087 -22.619 2.729 1.00 0.00 C ATOM 1061 C ALA A 97 -23.555 -23.018 2.910 1.00 0.00 C ATOM 1062 O ALA A 97 -23.988 -23.325 4.025 1.00 0.00 O ATOM 1063 CB ALA A 97 -21.130 -23.755 3.112 1.00 0.00 C ATOM 0 H ALA A 97 -21.367 -21.654 4.440 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.893 -22.398 1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -21.319 -24.620 2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -20.100 -23.424 2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -21.290 -24.029 4.155 1.00 0.00 H new ATOM 1137 N ILE A 103 -21.628 -21.934 -1.827 1.00 0.00 N ATOM 1138 CA ILE A 103 -21.133 -21.105 -0.737 1.00 0.00 C ATOM 1139 C ILE A 103 -21.129 -19.674 -1.227 1.00 0.00 C ATOM 1140 O ILE A 103 -20.743 -19.415 -2.368 1.00 0.00 O ATOM 1141 CB ILE A 103 -19.764 -21.619 -0.212 1.00 0.00 C ATOM 1142 CG1 ILE A 103 -19.065 -20.641 0.763 1.00 0.00 C ATOM 1143 CG2 ILE A 103 -18.801 -22.084 -1.306 1.00 0.00 C ATOM 1144 CD1 ILE A 103 -18.152 -19.592 0.100 1.00 0.00 C ATOM 0 HA ILE A 103 -21.781 -21.160 0.138 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.034 -22.508 0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -19.829 -20.121 1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -18.471 -21.221 1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -17.871 -22.426 -0.851 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -19.254 -22.903 -1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -18.591 -21.255 -1.982 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.711 -18.957 0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -17.360 -20.097 -0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.739 -18.980 -0.585 1.00 0.00 H new ATOM 1156 N VAL A 104 -21.522 -18.761 -0.345 1.00 0.00 N ATOM 1157 CA VAL A 104 -21.608 -17.332 -0.591 1.00 0.00 C ATOM 1158 C VAL A 104 -20.581 -16.690 0.344 1.00 0.00 C ATOM 1159 O VAL A 104 -20.564 -16.980 1.537 1.00 0.00 O ATOM 1160 CB VAL A 104 -23.060 -16.859 -0.336 1.00 0.00 C ATOM 1161 CG1 VAL A 104 -23.236 -15.424 -0.846 1.00 0.00 C ATOM 1162 CG2 VAL A 104 -24.107 -17.768 -1.014 1.00 0.00 C ATOM 0 H VAL A 104 -21.801 -19.012 0.603 1.00 0.00 H new ATOM 0 HA VAL A 104 -21.382 -17.050 -1.620 1.00 0.00 H new ATOM 0 HB VAL A 104 -23.226 -16.907 0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -24.259 -15.096 -0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -22.545 -14.764 -0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -23.029 -15.390 -1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -25.108 -17.391 -0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -23.941 -17.773 -2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -24.013 -18.783 -0.627 1.00 0.00 H new ATOM 1172 N CYS A 105 -19.684 -15.876 -0.211 1.00 0.00 N ATOM 1173 CA CYS A 105 -18.585 -15.248 0.515 1.00 0.00 C ATOM 1174 C CYS A 105 -19.003 -13.851 0.973 1.00 0.00 C ATOM 1175 O CYS A 105 -19.750 -13.189 0.259 1.00 0.00 O ATOM 1176 CB CYS A 105 -17.357 -15.138 -0.407 1.00 0.00 C ATOM 1177 SG CYS A 105 -17.126 -16.624 -1.424 1.00 0.00 S ATOM 0 H CYS A 105 -19.703 -15.630 -1.201 1.00 0.00 H new ATOM 0 HA CYS A 105 -18.335 -15.854 1.385 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -17.469 -14.270 -1.056 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -16.465 -14.971 0.197 1.00 0.00 H new ATOM 0 HG CYS A 105 -18.033 -16.658 -2.355 1.00 0.00 H new ATOM 1183 N TYR A 106 -18.443 -13.379 2.089 1.00 0.00 N ATOM 1184 CA TYR A 106 -18.702 -12.071 2.692 1.00 0.00 C ATOM 1185 C TYR A 106 -17.428 -11.531 3.331 1.00 0.00 C ATOM 1186 O TYR A 106 -16.459 -12.262 3.503 1.00 0.00 O ATOM 1187 CB TYR A 106 -19.763 -12.220 3.786 1.00 0.00 C ATOM 1188 CG TYR A 106 -21.121 -12.615 3.273 1.00 0.00 C ATOM 1189 CD1 TYR A 106 -21.943 -11.644 2.671 1.00 0.00 C ATOM 1190 CD2 TYR A 106 -21.556 -13.947 3.401 1.00 0.00 C ATOM 1191 CE1 TYR A 106 -23.241 -11.983 2.272 1.00 0.00 C ATOM 1192 CE2 TYR A 106 -22.843 -14.301 2.963 1.00 0.00 C ATOM 1193 CZ TYR A 106 -23.702 -13.315 2.411 1.00 0.00 C ATOM 1194 OH TYR A 106 -24.969 -13.636 2.012 1.00 0.00 O ATOM 0 H TYR A 106 -17.765 -13.924 2.621 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.046 -11.387 1.916 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.426 -12.967 4.505 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.850 -11.276 4.324 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.573 -10.641 2.517 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.905 -14.692 3.833 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.892 -11.228 1.857 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.179 -15.324 3.046 1.00 0.00 H new ATOM 0 HH TYR A 106 -25.131 -14.589 2.173 1.00 0.00 H new ATOM 1204 N ALA A 107 -17.427 -10.255 3.717 1.00 0.00 N ATOM 1205 CA ALA A 107 -16.305 -9.640 4.413 1.00 0.00 C ATOM 1206 C ALA A 107 -16.482 -9.749 5.925 1.00 0.00 C ATOM 1207 O ALA A 107 -17.583 -10.028 6.404 1.00 0.00 O ATOM 1208 CB ALA A 107 -16.245 -8.160 4.032 1.00 0.00 C ATOM 0 H ALA A 107 -18.208 -9.620 3.554 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.387 -10.154 4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.409 -7.686 4.546 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -16.109 -8.067 2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -17.175 -7.671 4.324 1.00 0.00 H new ATOM 1214 N VAL A 108 -15.412 -9.429 6.658 1.00 0.00 N ATOM 1215 CA VAL A 108 -15.464 -9.300 8.117 1.00 0.00 C ATOM 1216 C VAL A 108 -14.659 -8.115 8.685 1.00 0.00 C ATOM 1217 O VAL A 108 -15.128 -7.528 9.662 1.00 0.00 O ATOM 1218 CB VAL A 108 -15.114 -10.668 8.755 1.00 0.00 C ATOM 1219 CG1 VAL A 108 -13.991 -10.675 9.802 1.00 0.00 C ATOM 1220 CG2 VAL A 108 -16.362 -11.289 9.393 1.00 0.00 C ATOM 0 H VAL A 108 -14.490 -9.253 6.259 1.00 0.00 H new ATOM 0 HA VAL A 108 -16.484 -9.037 8.397 1.00 0.00 H new ATOM 0 HB VAL A 108 -14.736 -11.248 7.913 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -13.844 -11.690 10.171 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -13.067 -10.317 9.347 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.263 -10.023 10.632 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -16.103 -12.250 9.838 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -16.745 -10.623 10.166 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -17.126 -11.437 8.630 1.00 0.00 H new ATOM 1230 N ALA A 109 -13.507 -7.727 8.111 1.00 0.00 N ATOM 1231 CA ALA A 109 -12.635 -6.708 8.707 1.00 0.00 C ATOM 1232 C ALA A 109 -11.904 -5.912 7.633 1.00 0.00 C ATOM 1233 O ALA A 109 -11.121 -6.500 6.865 1.00 0.00 O ATOM 1234 CB ALA A 109 -11.623 -7.350 9.663 1.00 0.00 C ATOM 1235 OXT ALA A 109 -12.137 -4.689 7.534 1.00 0.00 O ATOM 0 H ALA A 109 -13.160 -8.108 7.231 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.268 -6.023 9.272 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -10.987 -6.576 10.093 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.155 -7.868 10.461 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.007 -8.063 9.115 1.00 0.00 H new