USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 558 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 51 ASN : amide:sc= 0.846 K(o=1.2,f=-13!) USER MOD Set 1.2: A 54 CYS SG : rot -144:sc= 0.39 USER MOD Set 1.3: A 55 LYS NZ :NH3+ -146:sc= -0.222! (180deg=-2.51!) USER MOD Set 1.4: A 74 CYS SG : rot -149:sc= 0.212 USER MOD Set 2.1: A 35 GLN : amide:sc= 0.061 K(o=0.35,f=-0.59) USER MOD Set 2.2: A 48 GLN : amide:sc= 0.29 K(o=0.35,f=-0.19) USER MOD Set 3.1: A 42 THR OG1 : rot 9:sc= 2.09 USER MOD Set 3.2: A 44 THR OG1 : rot 110:sc= 1.24 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.138 USER MOD Single : A 25 TYR OH : rot 30:sc=-0.00698 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.389 K(o=-0.39,f=-1.3) USER MOD Single : A 34 SER OG : rot 180:sc= 0.21 USER MOD Single : A 38 LYS NZ :NH3+ -170:sc= 1.12 (180deg=0.958) USER MOD Single : A 39 ASN :FLIP amide:sc= -4 F(o=-6.7!,f=-4) USER MOD Single : A 41 MET CE :methyl -169:sc= 0 (180deg=-0.108) USER MOD Single : A 49 ASN : amide:sc= -2.03 K(o=-2,f=-3.5!) USER MOD Single : A 56 THR OG1 : rot 80:sc= 1.17 USER MOD Single : A 59 LYS NZ :NH3+ 151:sc= 0.822 (180deg=-1.04!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0269 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -176:sc= -0.532 (180deg=-0.615) USER MOD Single : A 72 THR OG1 : rot -17:sc= 0.471 USER MOD Single : A 75 GLN : amide:sc=-0.000821 X(o=-0.00082,f=-0.089) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 6 1.939 -11.324 0.889 1.00 0.00 N ATOM 71 CA ILE A 6 0.701 -11.906 1.439 1.00 0.00 C ATOM 72 C ILE A 6 0.284 -11.313 2.783 1.00 0.00 C ATOM 73 O ILE A 6 -0.904 -11.239 3.062 1.00 0.00 O ATOM 74 CB ILE A 6 0.775 -13.453 1.511 1.00 0.00 C ATOM 75 CG1 ILE A 6 1.252 -14.043 2.860 1.00 0.00 C ATOM 76 CG2 ILE A 6 1.702 -14.022 0.426 1.00 0.00 C ATOM 77 CD1 ILE A 6 0.156 -14.120 3.936 1.00 0.00 C ATOM 0 HA ILE A 6 -0.083 -11.632 0.733 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.264 -13.749 1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.647 -15.044 2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.075 -13.437 3.238 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.731 -15.109 0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.327 -13.740 -0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.707 -13.622 0.560 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.572 -14.544 4.850 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.224 -13.119 4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.659 -14.751 3.581 1.00 0.00 H new ATOM 89 N LEU A 7 1.264 -10.920 3.602 1.00 0.00 N ATOM 90 CA LEU A 7 1.138 -10.261 4.916 1.00 0.00 C ATOM 91 C LEU A 7 0.271 -8.975 4.960 1.00 0.00 C ATOM 92 O LEU A 7 0.134 -8.365 6.016 1.00 0.00 O ATOM 93 CB LEU A 7 2.555 -10.076 5.507 1.00 0.00 C ATOM 94 CG LEU A 7 3.605 -9.372 4.618 1.00 0.00 C ATOM 95 CD1 LEU A 7 3.299 -7.903 4.331 1.00 0.00 C ATOM 96 CD2 LEU A 7 4.978 -9.442 5.287 1.00 0.00 C ATOM 0 H LEU A 7 2.242 -11.063 3.350 1.00 0.00 H new ATOM 0 HA LEU A 7 0.552 -10.925 5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.463 -9.510 6.434 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.942 -11.060 5.772 1.00 0.00 H new ATOM 0 HG LEU A 7 3.584 -9.903 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.084 -7.484 3.701 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.341 -7.825 3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.253 -7.351 5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.715 -8.945 4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.936 -8.946 6.257 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.263 -10.485 5.425 1.00 0.00 H new ATOM 108 N ASP A 8 -0.306 -8.601 3.823 1.00 0.00 N ATOM 109 CA ASP A 8 -1.335 -7.572 3.619 1.00 0.00 C ATOM 110 C ASP A 8 -2.751 -8.057 4.000 1.00 0.00 C ATOM 111 O ASP A 8 -3.582 -7.273 4.450 1.00 0.00 O ATOM 112 CB ASP A 8 -1.294 -7.235 2.117 1.00 0.00 C ATOM 113 CG ASP A 8 -2.296 -6.168 1.661 1.00 0.00 C ATOM 114 OD1 ASP A 8 -2.016 -4.971 1.900 1.00 0.00 O ATOM 115 OD2 ASP A 8 -3.285 -6.561 0.999 1.00 0.00 O ATOM 0 H ASP A 8 -0.048 -9.044 2.941 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.130 -6.712 4.257 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.289 -6.899 1.864 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.477 -8.148 1.551 1.00 0.00 H new ATOM 120 N ILE A 9 -3.025 -9.366 3.885 1.00 0.00 N ATOM 121 CA ILE A 9 -4.389 -9.921 3.960 1.00 0.00 C ATOM 122 C ILE A 9 -4.696 -10.712 5.245 1.00 0.00 C ATOM 123 O ILE A 9 -3.883 -10.851 6.160 1.00 0.00 O ATOM 124 CB ILE A 9 -4.738 -10.722 2.681 1.00 0.00 C ATOM 125 CG1 ILE A 9 -4.121 -12.141 2.648 1.00 0.00 C ATOM 126 CG2 ILE A 9 -4.405 -9.925 1.405 1.00 0.00 C ATOM 127 CD1 ILE A 9 -4.904 -13.063 1.709 1.00 0.00 C ATOM 0 H ILE A 9 -2.305 -10.073 3.737 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.050 -9.056 4.016 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.817 -10.873 2.711 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.083 -12.082 2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.115 -12.562 3.654 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.663 -10.518 0.528 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.976 -8.997 1.396 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.340 -9.695 1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.447 -14.053 1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.936 -13.140 2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.887 -12.653 0.699 1.00 0.00 H new ATOM 139 N ARG A 10 -5.905 -11.302 5.307 1.00 0.00 N ATOM 140 CA ARG A 10 -6.300 -12.268 6.347 1.00 0.00 C ATOM 141 C ARG A 10 -5.343 -13.456 6.447 1.00 0.00 C ATOM 142 O ARG A 10 -5.179 -14.217 5.500 1.00 0.00 O ATOM 143 CB ARG A 10 -7.746 -12.774 6.147 1.00 0.00 C ATOM 144 CG ARG A 10 -8.020 -13.582 4.856 1.00 0.00 C ATOM 145 CD ARG A 10 -7.879 -15.119 4.985 1.00 0.00 C ATOM 146 NE ARG A 10 -9.200 -15.787 4.857 1.00 0.00 N ATOM 147 CZ ARG A 10 -9.554 -16.781 4.050 1.00 0.00 C ATOM 148 NH1 ARG A 10 -8.729 -17.448 3.297 1.00 0.00 N ATOM 149 NH2 ARG A 10 -10.793 -17.157 3.951 1.00 0.00 N ATOM 0 H ARG A 10 -6.643 -11.118 4.627 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.249 -11.720 7.288 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.012 -13.396 7.002 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.414 -11.913 6.159 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.030 -13.355 4.515 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.336 -13.236 4.081 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.203 -15.492 4.216 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.434 -15.367 5.948 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.934 -15.435 5.472 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.735 -17.219 3.302 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.076 -18.200 2.702 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.514 -16.687 4.498 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.045 -17.922 3.326 1.00 0.00 H new ATOM 163 N GLN A 11 -4.811 -13.670 7.643 1.00 0.00 N ATOM 164 CA GLN A 11 -4.117 -14.892 8.011 1.00 0.00 C ATOM 165 C GLN A 11 -5.087 -15.830 8.742 1.00 0.00 C ATOM 166 O GLN A 11 -6.013 -15.415 9.436 1.00 0.00 O ATOM 167 CB GLN A 11 -2.837 -14.589 8.803 1.00 0.00 C ATOM 168 CG GLN A 11 -3.122 -14.075 10.216 1.00 0.00 C ATOM 169 CD GLN A 11 -1.865 -13.550 10.895 1.00 0.00 C ATOM 170 OE1 GLN A 11 -1.213 -14.247 11.650 1.00 0.00 O ATOM 171 NE2 GLN A 11 -1.470 -12.320 10.651 1.00 0.00 N ATOM 0 H GLN A 11 -4.852 -12.985 8.397 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.781 -15.411 7.113 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.231 -15.493 8.865 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.248 -13.847 8.263 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.868 -13.281 10.170 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.549 -14.879 10.815 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.009 -11.727 10.020 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.625 -11.959 11.093 1.00 0.00 H new ATOM 180 N GLY A 12 -4.853 -17.121 8.578 1.00 0.00 N ATOM 181 CA GLY A 12 -5.743 -18.204 8.987 1.00 0.00 C ATOM 182 C GLY A 12 -5.040 -19.570 9.047 1.00 0.00 C ATOM 183 O GLY A 12 -5.398 -20.459 8.280 1.00 0.00 O ATOM 0 H GLY A 12 -3.999 -17.462 8.136 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.160 -17.973 9.967 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.579 -18.262 8.290 1.00 0.00 H new ATOM 187 N PRO A 13 -4.046 -19.756 9.937 1.00 0.00 N ATOM 188 CA PRO A 13 -3.233 -20.978 10.097 1.00 0.00 C ATOM 189 C PRO A 13 -4.006 -22.194 10.664 1.00 0.00 C ATOM 190 O PRO A 13 -3.441 -23.009 11.390 1.00 0.00 O ATOM 191 CB PRO A 13 -2.079 -20.538 11.013 1.00 0.00 C ATOM 192 CG PRO A 13 -2.734 -19.481 11.897 1.00 0.00 C ATOM 193 CD PRO A 13 -3.638 -18.758 10.916 1.00 0.00 C ATOM 0 HA PRO A 13 -2.894 -21.350 9.130 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.688 -21.370 11.599 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.244 -20.129 10.444 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.297 -19.928 12.716 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.999 -18.811 12.343 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.504 -18.332 11.424 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.112 -17.933 10.436 1.00 0.00 H new ATOM 201 N LYS A 14 -5.316 -22.288 10.406 1.00 0.00 N ATOM 202 CA LYS A 14 -6.234 -23.284 10.976 1.00 0.00 C ATOM 203 C LYS A 14 -7.149 -23.909 9.899 1.00 0.00 C ATOM 204 O LYS A 14 -6.669 -24.556 8.972 1.00 0.00 O ATOM 205 CB LYS A 14 -6.997 -22.633 12.146 1.00 0.00 C ATOM 206 CG LYS A 14 -6.118 -22.202 13.333 1.00 0.00 C ATOM 207 CD LYS A 14 -6.992 -21.777 14.525 1.00 0.00 C ATOM 208 CE LYS A 14 -6.164 -21.418 15.767 1.00 0.00 C ATOM 209 NZ LYS A 14 -5.464 -20.112 15.637 1.00 0.00 N ATOM 0 H LYS A 14 -5.786 -21.646 9.768 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.672 -24.130 11.372 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.530 -21.759 11.771 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.749 -23.335 12.506 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.466 -23.024 13.628 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.473 -21.375 13.034 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.599 -20.919 14.237 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.680 -22.586 14.773 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.819 -21.389 16.638 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.429 -22.202 15.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.921 -19.921 16.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.817 -20.144 14.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.164 -19.356 15.493 1.00 0.00 H new ATOM 223 N GLU A 15 -8.462 -23.696 10.011 1.00 0.00 N ATOM 224 CA GLU A 15 -9.526 -24.228 9.144 1.00 0.00 C ATOM 225 C GLU A 15 -9.297 -24.059 7.626 1.00 0.00 C ATOM 226 O GLU A 15 -9.445 -25.040 6.888 1.00 0.00 O ATOM 227 CB GLU A 15 -10.889 -23.576 9.487 1.00 0.00 C ATOM 228 CG GLU A 15 -11.247 -23.426 10.973 1.00 0.00 C ATOM 229 CD GLU A 15 -11.546 -24.767 11.632 1.00 0.00 C ATOM 230 OE1 GLU A 15 -12.444 -25.493 11.143 1.00 0.00 O ATOM 231 OE2 GLU A 15 -10.907 -25.099 12.656 1.00 0.00 O ATOM 0 H GLU A 15 -8.839 -23.110 10.756 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.516 -25.298 9.351 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.912 -22.585 9.033 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.673 -24.164 9.009 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.422 -22.942 11.496 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.114 -22.773 11.072 1.00 0.00 H new ATOM 238 N PRO A 16 -8.942 -22.857 7.114 1.00 0.00 N ATOM 239 CA PRO A 16 -8.963 -22.582 5.683 1.00 0.00 C ATOM 240 C PRO A 16 -7.683 -23.031 4.962 1.00 0.00 C ATOM 241 O PRO A 16 -7.336 -22.414 3.966 1.00 0.00 O ATOM 242 CB PRO A 16 -9.205 -21.067 5.596 1.00 0.00 C ATOM 243 CG PRO A 16 -8.364 -20.550 6.754 1.00 0.00 C ATOM 244 CD PRO A 16 -8.585 -21.623 7.821 1.00 0.00 C ATOM 0 HA PRO A 16 -9.739 -23.150 5.170 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.881 -20.656 4.640 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.259 -20.814 5.711 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.312 -20.456 6.483 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.695 -19.568 7.090 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.684 -21.766 8.418 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.378 -21.328 8.508 1.00 0.00 H new ATOM 252 N PHE A 17 -6.974 -24.082 5.411 1.00 0.00 N ATOM 253 CA PHE A 17 -5.684 -24.510 4.822 1.00 0.00 C ATOM 254 C PHE A 17 -5.694 -24.465 3.281 1.00 0.00 C ATOM 255 O PHE A 17 -4.878 -23.753 2.719 1.00 0.00 O ATOM 256 CB PHE A 17 -5.267 -25.910 5.324 1.00 0.00 C ATOM 257 CG PHE A 17 -3.936 -26.013 6.076 1.00 0.00 C ATOM 258 CD1 PHE A 17 -3.747 -25.279 7.264 1.00 0.00 C ATOM 259 CD2 PHE A 17 -2.901 -26.885 5.647 1.00 0.00 C ATOM 260 CE1 PHE A 17 -2.518 -25.322 7.945 1.00 0.00 C ATOM 261 CE2 PHE A 17 -1.668 -26.925 6.329 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.473 -26.117 7.461 1.00 0.00 C ATOM 0 H PHE A 17 -7.276 -24.662 6.194 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.940 -23.789 5.161 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.055 -26.284 5.978 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.223 -26.578 4.464 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.554 -24.678 7.655 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.060 -27.523 4.790 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.380 -24.740 8.844 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.877 -27.574 5.983 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.515 -26.109 7.959 1.00 0.00 H new ATOM 272 N ARG A 18 -6.645 -25.144 2.614 1.00 0.00 N ATOM 273 CA ARG A 18 -6.876 -25.098 1.147 1.00 0.00 C ATOM 274 C ARG A 18 -7.250 -23.704 0.636 1.00 0.00 C ATOM 275 O ARG A 18 -6.593 -23.116 -0.217 1.00 0.00 O ATOM 276 CB ARG A 18 -7.925 -26.128 0.654 1.00 0.00 C ATOM 277 CG ARG A 18 -8.946 -26.807 1.594 1.00 0.00 C ATOM 278 CD ARG A 18 -9.835 -25.887 2.444 1.00 0.00 C ATOM 279 NE ARG A 18 -11.113 -26.509 2.878 1.00 0.00 N ATOM 280 CZ ARG A 18 -11.406 -27.736 3.289 1.00 0.00 C ATOM 281 NH1 ARG A 18 -10.542 -28.704 3.457 1.00 0.00 N ATOM 282 NH2 ARG A 18 -12.651 -28.021 3.542 1.00 0.00 N ATOM 0 H ARG A 18 -7.300 -25.763 3.092 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.909 -25.370 0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.504 -25.631 -0.124 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.367 -26.931 0.172 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.595 -27.439 0.988 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.399 -27.466 2.268 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.277 -25.575 3.327 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.058 -24.986 1.873 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.912 -25.876 2.856 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.553 -28.543 3.268 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.858 -29.619 3.778 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.372 -27.309 3.423 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.906 -28.956 3.859 1.00 0.00 H new ATOM 296 N ASP A 19 -8.311 -23.178 1.242 1.00 0.00 N ATOM 297 CA ASP A 19 -8.918 -21.881 0.895 1.00 0.00 C ATOM 298 C ASP A 19 -7.960 -20.685 1.027 1.00 0.00 C ATOM 299 O ASP A 19 -8.199 -19.613 0.472 1.00 0.00 O ATOM 300 CB ASP A 19 -10.189 -21.636 1.726 1.00 0.00 C ATOM 301 CG ASP A 19 -10.762 -20.241 1.435 1.00 0.00 C ATOM 302 OD1 ASP A 19 -11.223 -20.047 0.287 1.00 0.00 O ATOM 303 OD2 ASP A 19 -10.628 -19.359 2.322 1.00 0.00 O ATOM 0 H ASP A 19 -8.791 -23.649 2.009 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.174 -21.951 -0.162 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.934 -22.397 1.495 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.960 -21.727 2.788 1.00 0.00 H new ATOM 308 N TYR A 20 -6.863 -20.860 1.752 1.00 0.00 N ATOM 309 CA TYR A 20 -5.873 -19.830 2.005 1.00 0.00 C ATOM 310 C TYR A 20 -4.531 -20.162 1.339 1.00 0.00 C ATOM 311 O TYR A 20 -3.963 -19.257 0.731 1.00 0.00 O ATOM 312 CB TYR A 20 -5.796 -19.614 3.522 1.00 0.00 C ATOM 313 CG TYR A 20 -4.909 -18.491 4.021 1.00 0.00 C ATOM 314 CD1 TYR A 20 -4.573 -17.379 3.219 1.00 0.00 C ATOM 315 CD2 TYR A 20 -4.377 -18.603 5.319 1.00 0.00 C ATOM 316 CE1 TYR A 20 -3.632 -16.443 3.682 1.00 0.00 C ATOM 317 CE2 TYR A 20 -3.400 -17.696 5.763 1.00 0.00 C ATOM 318 CZ TYR A 20 -3.015 -16.626 4.933 1.00 0.00 C ATOM 319 OH TYR A 20 -2.043 -15.775 5.334 1.00 0.00 O ATOM 0 H TYR A 20 -6.634 -21.751 2.192 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.165 -18.885 1.547 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.807 -19.434 3.889 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.453 -20.543 3.978 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.037 -17.248 2.253 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.721 -19.388 5.976 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.383 -15.583 3.077 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.947 -17.819 6.736 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.722 -16.040 6.221 1.00 0.00 H new ATOM 329 N VAL A 21 -4.061 -21.424 1.341 1.00 0.00 N ATOM 330 CA VAL A 21 -2.787 -21.836 0.701 1.00 0.00 C ATOM 331 C VAL A 21 -2.726 -21.465 -0.772 1.00 0.00 C ATOM 332 O VAL A 21 -1.713 -20.933 -1.225 1.00 0.00 O ATOM 333 CB VAL A 21 -2.475 -23.337 0.893 1.00 0.00 C ATOM 334 CG1 VAL A 21 -3.417 -24.313 0.188 1.00 0.00 C ATOM 335 CG2 VAL A 21 -1.081 -23.719 0.420 1.00 0.00 C ATOM 0 H VAL A 21 -4.555 -22.196 1.789 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.013 -21.271 1.220 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.594 -23.436 1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.101 -25.336 0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.433 -24.166 0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.389 -24.134 -0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.922 -24.785 0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.983 -23.494 -0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.338 -23.152 0.981 1.00 0.00 H new ATOM 345 N ASP A 22 -3.826 -21.647 -1.499 1.00 0.00 N ATOM 346 CA ASP A 22 -3.940 -21.299 -2.906 1.00 0.00 C ATOM 347 C ASP A 22 -3.602 -19.825 -3.187 1.00 0.00 C ATOM 348 O ASP A 22 -2.817 -19.445 -4.058 1.00 0.00 O ATOM 349 CB ASP A 22 -5.411 -21.521 -3.247 1.00 0.00 C ATOM 350 CG ASP A 22 -5.914 -22.956 -3.384 1.00 0.00 C ATOM 351 OD1 ASP A 22 -5.150 -23.911 -3.130 1.00 0.00 O ATOM 352 OD2 ASP A 22 -7.124 -23.035 -3.720 1.00 0.00 O ATOM 0 H ASP A 22 -4.680 -22.050 -1.114 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.244 -21.898 -3.493 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.008 -21.032 -2.478 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.616 -21.006 -4.185 1.00 0.00 H new ATOM 357 N ARG A 23 -4.255 -18.985 -2.391 1.00 0.00 N ATOM 358 CA ARG A 23 -4.286 -17.518 -2.447 1.00 0.00 C ATOM 359 C ARG A 23 -2.968 -16.940 -1.958 1.00 0.00 C ATOM 360 O ARG A 23 -2.512 -15.925 -2.475 1.00 0.00 O ATOM 361 CB ARG A 23 -5.453 -16.987 -1.582 1.00 0.00 C ATOM 362 CG ARG A 23 -6.620 -17.921 -1.405 1.00 0.00 C ATOM 363 CD ARG A 23 -7.270 -18.311 -2.719 1.00 0.00 C ATOM 364 NE ARG A 23 -8.502 -18.956 -2.313 1.00 0.00 N ATOM 365 CZ ARG A 23 -9.029 -20.084 -2.765 1.00 0.00 C ATOM 366 NH1 ARG A 23 -8.583 -20.676 -3.836 1.00 0.00 N ATOM 367 NH2 ARG A 23 -10.017 -20.654 -2.147 1.00 0.00 N ATOM 0 H ARG A 23 -4.826 -19.338 -1.623 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.436 -17.208 -3.481 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.063 -16.734 -0.596 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.818 -16.062 -2.028 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.283 -18.821 -0.891 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.364 -17.447 -0.764 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.461 -17.440 -3.345 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.636 -18.985 -3.295 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.033 -18.479 -1.584 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.804 -20.272 -4.355 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.013 -21.544 -4.156 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.399 -20.234 -1.300 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.412 -21.522 -2.508 1.00 0.00 H new ATOM 381 N PHE A 24 -2.390 -17.627 -0.980 1.00 0.00 N ATOM 382 CA PHE A 24 -1.094 -17.355 -0.365 1.00 0.00 C ATOM 383 C PHE A 24 0.039 -17.633 -1.369 1.00 0.00 C ATOM 384 O PHE A 24 0.781 -16.724 -1.752 1.00 0.00 O ATOM 385 CB PHE A 24 -0.998 -18.206 0.923 1.00 0.00 C ATOM 386 CG PHE A 24 0.374 -18.280 1.557 1.00 0.00 C ATOM 387 CD1 PHE A 24 1.349 -19.100 0.973 1.00 0.00 C ATOM 388 CD2 PHE A 24 0.699 -17.543 2.709 1.00 0.00 C ATOM 389 CE1 PHE A 24 2.676 -19.014 1.385 1.00 0.00 C ATOM 390 CE2 PHE A 24 2.020 -17.547 3.196 1.00 0.00 C ATOM 391 CZ PHE A 24 3.033 -18.215 2.479 1.00 0.00 C ATOM 0 H PHE A 24 -2.843 -18.443 -0.568 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.992 -16.305 -0.089 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.696 -17.803 1.656 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.327 -19.219 0.693 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.070 -19.801 0.200 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.064 -16.974 3.220 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.437 -19.568 0.856 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.257 -17.038 4.119 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.068 -18.113 2.768 1.00 0.00 H new ATOM 401 N TYR A 25 0.143 -18.870 -1.878 1.00 0.00 N ATOM 402 CA TYR A 25 1.266 -19.261 -2.742 1.00 0.00 C ATOM 403 C TYR A 25 1.220 -18.505 -4.087 1.00 0.00 C ATOM 404 O TYR A 25 2.276 -18.267 -4.656 1.00 0.00 O ATOM 405 CB TYR A 25 1.407 -20.792 -2.892 1.00 0.00 C ATOM 406 CG TYR A 25 2.371 -21.524 -1.938 1.00 0.00 C ATOM 407 CD1 TYR A 25 3.740 -21.682 -2.268 1.00 0.00 C ATOM 408 CD2 TYR A 25 1.891 -22.175 -0.782 1.00 0.00 C ATOM 409 CE1 TYR A 25 4.578 -22.532 -1.502 1.00 0.00 C ATOM 410 CE2 TYR A 25 2.711 -23.050 -0.044 1.00 0.00 C ATOM 411 CZ TYR A 25 4.051 -23.257 -0.414 1.00 0.00 C ATOM 412 OH TYR A 25 4.830 -24.147 0.264 1.00 0.00 O ATOM 0 H TYR A 25 -0.534 -19.613 -1.707 1.00 0.00 H new ATOM 0 HA TYR A 25 2.185 -18.953 -2.244 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.417 -21.233 -2.770 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.725 -21.000 -3.914 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.150 -21.149 -3.113 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.876 -21.999 -0.457 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.624 -22.624 -1.753 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.307 -23.567 0.814 1.00 0.00 H new ATOM 0 HH TYR A 25 5.765 -23.855 0.231 1.00 0.00 H new ATOM 422 N LYS A 26 0.052 -17.999 -4.524 1.00 0.00 N ATOM 423 CA LYS A 26 -0.172 -17.094 -5.678 1.00 0.00 C ATOM 424 C LYS A 26 0.593 -15.749 -5.660 1.00 0.00 C ATOM 425 O LYS A 26 0.865 -15.208 -6.742 1.00 0.00 O ATOM 426 CB LYS A 26 -1.707 -16.965 -5.840 1.00 0.00 C ATOM 427 CG LYS A 26 -2.292 -15.724 -6.543 1.00 0.00 C ATOM 428 CD LYS A 26 -2.692 -14.640 -5.525 1.00 0.00 C ATOM 429 CE LYS A 26 -3.148 -13.327 -6.179 1.00 0.00 C ATOM 430 NZ LYS A 26 -4.385 -13.485 -6.989 1.00 0.00 N ATOM 0 H LYS A 26 -0.823 -18.224 -4.051 1.00 0.00 H new ATOM 0 HA LYS A 26 0.276 -17.538 -6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.053 -17.843 -6.385 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.146 -17.014 -4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.558 -15.318 -7.240 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.163 -16.013 -7.130 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.496 -15.022 -4.896 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.844 -14.436 -4.871 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.320 -12.581 -5.403 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.349 -12.947 -6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.646 -12.569 -7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.217 -14.176 -7.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.158 -13.821 -6.380 1.00 0.00 H new ATOM 444 N THR A 27 0.974 -15.214 -4.496 1.00 0.00 N ATOM 445 CA THR A 27 1.827 -14.003 -4.393 1.00 0.00 C ATOM 446 C THR A 27 3.079 -14.211 -3.558 1.00 0.00 C ATOM 447 O THR A 27 4.074 -13.562 -3.851 1.00 0.00 O ATOM 448 CB THR A 27 1.100 -12.743 -3.894 1.00 0.00 C ATOM 449 OG1 THR A 27 0.227 -13.019 -2.828 1.00 0.00 O ATOM 450 CG2 THR A 27 0.285 -12.091 -5.009 1.00 0.00 C ATOM 0 H THR A 27 0.705 -15.601 -3.592 1.00 0.00 H new ATOM 0 HA THR A 27 2.115 -13.831 -5.430 1.00 0.00 H new ATOM 0 HB THR A 27 1.884 -12.066 -3.554 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.212 -12.191 -2.542 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.216 -11.203 -4.622 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.948 -11.806 -5.826 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.460 -12.797 -5.376 1.00 0.00 H new ATOM 458 N LEU A 28 3.097 -15.168 -2.624 1.00 0.00 N ATOM 459 CA LEU A 28 4.324 -15.614 -1.951 1.00 0.00 C ATOM 460 C LEU A 28 5.400 -16.040 -2.970 1.00 0.00 C ATOM 461 O LEU A 28 6.572 -15.681 -2.852 1.00 0.00 O ATOM 462 CB LEU A 28 3.947 -16.735 -0.973 1.00 0.00 C ATOM 463 CG LEU A 28 5.114 -17.369 -0.214 1.00 0.00 C ATOM 464 CD1 LEU A 28 5.688 -18.581 -0.956 1.00 0.00 C ATOM 465 CD2 LEU A 28 6.121 -16.370 0.331 1.00 0.00 C ATOM 0 H LEU A 28 2.258 -15.657 -2.312 1.00 0.00 H new ATOM 0 HA LEU A 28 4.771 -14.794 -1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.238 -16.336 -0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.429 -17.518 -1.527 1.00 0.00 H new ATOM 0 HG LEU A 28 4.707 -17.786 0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.514 -19.001 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.910 -19.335 -1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.048 -18.270 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.915 -16.903 0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.549 -15.799 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.622 -15.691 1.023 1.00 0.00 H new ATOM 477 N ARG A 29 4.992 -16.754 -4.032 1.00 0.00 N ATOM 478 CA ARG A 29 5.869 -17.124 -5.155 1.00 0.00 C ATOM 479 C ARG A 29 6.495 -15.946 -5.917 1.00 0.00 C ATOM 480 O ARG A 29 7.233 -16.204 -6.858 1.00 0.00 O ATOM 481 CB ARG A 29 5.156 -18.113 -6.099 1.00 0.00 C ATOM 482 CG ARG A 29 3.962 -17.501 -6.846 1.00 0.00 C ATOM 483 CD ARG A 29 4.267 -16.825 -8.186 1.00 0.00 C ATOM 484 NE ARG A 29 3.310 -15.727 -8.399 1.00 0.00 N ATOM 485 CZ ARG A 29 3.583 -14.476 -8.709 1.00 0.00 C ATOM 486 NH1 ARG A 29 4.777 -14.054 -9.028 1.00 0.00 N ATOM 487 NH2 ARG A 29 2.605 -13.620 -8.676 1.00 0.00 N ATOM 0 H ARG A 29 4.036 -17.094 -4.136 1.00 0.00 H new ATOM 0 HA ARG A 29 6.726 -17.620 -4.700 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.875 -18.489 -6.827 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.811 -18.970 -5.520 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.229 -18.289 -7.020 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.491 -16.766 -6.193 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.287 -16.441 -8.190 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.196 -17.549 -8.998 1.00 0.00 H new ATOM 0 HE ARG A 29 2.323 -15.961 -8.295 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.561 -14.707 -9.046 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.926 -13.072 -9.259 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.667 -13.927 -8.417 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.775 -12.642 -8.909 1.00 0.00 H new ATOM 501 N ALA A 30 6.182 -14.687 -5.612 1.00 0.00 N ATOM 502 CA ALA A 30 6.946 -13.568 -6.160 1.00 0.00 C ATOM 503 C ALA A 30 8.385 -13.528 -5.608 1.00 0.00 C ATOM 504 O ALA A 30 9.300 -13.235 -6.371 1.00 0.00 O ATOM 505 CB ALA A 30 6.175 -12.270 -5.889 1.00 0.00 C ATOM 0 H ALA A 30 5.414 -14.419 -4.996 1.00 0.00 H new ATOM 0 HA ALA A 30 7.055 -13.694 -7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.733 -11.425 -6.292 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.197 -12.321 -6.368 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.047 -12.141 -4.814 1.00 0.00 H new ATOM 511 N GLU A 31 8.586 -13.945 -4.351 1.00 0.00 N ATOM 512 CA GLU A 31 9.882 -13.853 -3.662 1.00 0.00 C ATOM 513 C GLU A 31 10.459 -15.261 -3.396 1.00 0.00 C ATOM 514 O GLU A 31 11.566 -15.592 -3.815 1.00 0.00 O ATOM 515 CB GLU A 31 9.719 -13.068 -2.337 1.00 0.00 C ATOM 516 CG GLU A 31 8.733 -11.880 -2.326 1.00 0.00 C ATOM 517 CD GLU A 31 9.009 -10.802 -3.385 1.00 0.00 C ATOM 518 OE1 GLU A 31 10.167 -10.339 -3.453 1.00 0.00 O ATOM 519 OE2 GLU A 31 8.040 -10.430 -4.090 1.00 0.00 O ATOM 0 H GLU A 31 7.850 -14.359 -3.779 1.00 0.00 H new ATOM 0 HA GLU A 31 10.584 -13.318 -4.302 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.405 -13.772 -1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.700 -12.693 -2.046 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.723 -12.263 -2.473 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.757 -11.415 -1.340 1.00 0.00 H new ATOM 526 N GLN A 32 9.654 -16.140 -2.786 1.00 0.00 N ATOM 527 CA GLN A 32 10.029 -17.515 -2.408 1.00 0.00 C ATOM 528 C GLN A 32 10.025 -18.493 -3.602 1.00 0.00 C ATOM 529 O GLN A 32 10.639 -19.557 -3.543 1.00 0.00 O ATOM 530 CB GLN A 32 9.018 -17.984 -1.346 1.00 0.00 C ATOM 531 CG GLN A 32 9.349 -17.685 0.126 1.00 0.00 C ATOM 532 CD GLN A 32 9.790 -16.250 0.435 1.00 0.00 C ATOM 533 OE1 GLN A 32 10.824 -15.796 -0.020 1.00 0.00 O ATOM 534 NE2 GLN A 32 9.093 -15.483 1.245 1.00 0.00 N ATOM 0 H GLN A 32 8.693 -15.910 -2.533 1.00 0.00 H new ATOM 0 HA GLN A 32 11.050 -17.509 -2.028 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.054 -17.529 -1.574 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.894 -19.062 -1.451 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.470 -17.912 0.729 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.139 -18.364 0.446 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.221 -15.826 1.647 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.425 -14.545 1.471 1.00 0.00 H new ATOM 543 N ALA A 33 9.282 -18.132 -4.653 1.00 0.00 N ATOM 544 CA ALA A 33 9.185 -18.717 -6.007 1.00 0.00 C ATOM 545 C ALA A 33 9.143 -20.262 -6.194 1.00 0.00 C ATOM 546 O ALA A 33 9.284 -20.745 -7.317 1.00 0.00 O ATOM 547 CB ALA A 33 10.243 -18.019 -6.869 1.00 0.00 C ATOM 0 H ALA A 33 8.659 -17.329 -4.572 1.00 0.00 H new ATOM 0 HA ALA A 33 8.164 -18.519 -6.334 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.209 -18.420 -7.882 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.042 -16.948 -6.895 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.231 -18.192 -6.443 1.00 0.00 H new ATOM 553 N SER A 34 8.893 -21.036 -5.134 1.00 0.00 N ATOM 554 CA SER A 34 8.914 -22.509 -5.102 1.00 0.00 C ATOM 555 C SER A 34 7.728 -23.089 -4.295 1.00 0.00 C ATOM 556 O SER A 34 6.800 -22.363 -3.940 1.00 0.00 O ATOM 557 CB SER A 34 10.285 -22.938 -4.554 1.00 0.00 C ATOM 558 OG SER A 34 10.501 -24.328 -4.729 1.00 0.00 O ATOM 0 H SER A 34 8.658 -20.635 -4.226 1.00 0.00 H new ATOM 0 HA SER A 34 8.784 -22.914 -6.105 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.072 -22.380 -5.061 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.349 -22.689 -3.495 1.00 0.00 H new ATOM 0 HG SER A 34 11.381 -24.570 -4.372 1.00 0.00 H new ATOM 564 N GLN A 35 7.726 -24.401 -4.030 1.00 0.00 N ATOM 565 CA GLN A 35 6.652 -25.194 -3.399 1.00 0.00 C ATOM 566 C GLN A 35 7.262 -26.314 -2.528 1.00 0.00 C ATOM 567 O GLN A 35 6.933 -27.489 -2.666 1.00 0.00 O ATOM 568 CB GLN A 35 5.727 -25.715 -4.521 1.00 0.00 C ATOM 569 CG GLN A 35 4.413 -26.417 -4.102 1.00 0.00 C ATOM 570 CD GLN A 35 3.461 -25.587 -3.241 1.00 0.00 C ATOM 571 OE1 GLN A 35 3.039 -25.981 -2.160 1.00 0.00 O ATOM 572 NE2 GLN A 35 3.042 -24.437 -3.710 1.00 0.00 N ATOM 0 H GLN A 35 8.530 -24.982 -4.266 1.00 0.00 H new ATOM 0 HA GLN A 35 6.050 -24.590 -2.721 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.467 -24.871 -5.160 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.300 -26.413 -5.131 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.883 -26.723 -5.004 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.667 -27.326 -3.557 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.385 -24.097 -4.608 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.373 -23.882 -3.177 1.00 0.00 H new ATOM 581 N GLU A 36 8.240 -25.963 -1.685 1.00 0.00 N ATOM 582 CA GLU A 36 9.078 -26.926 -0.946 1.00 0.00 C ATOM 583 C GLU A 36 8.840 -26.893 0.583 1.00 0.00 C ATOM 584 O GLU A 36 8.375 -25.895 1.131 1.00 0.00 O ATOM 585 CB GLU A 36 10.566 -26.636 -1.277 1.00 0.00 C ATOM 586 CG GLU A 36 11.465 -27.849 -0.978 1.00 0.00 C ATOM 587 CD GLU A 36 12.984 -27.603 -0.969 1.00 0.00 C ATOM 588 OE1 GLU A 36 13.479 -26.614 -1.554 1.00 0.00 O ATOM 589 OE2 GLU A 36 13.671 -28.284 -0.171 1.00 0.00 O ATOM 0 H GLU A 36 8.478 -24.990 -1.491 1.00 0.00 H new ATOM 0 HA GLU A 36 8.801 -27.931 -1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.658 -26.366 -2.329 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.907 -25.779 -0.696 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.180 -28.251 -0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.250 -28.621 -1.717 1.00 0.00 H new ATOM 596 N VAL A 37 9.228 -27.966 1.293 1.00 0.00 N ATOM 597 CA VAL A 37 9.345 -28.083 2.768 1.00 0.00 C ATOM 598 C VAL A 37 10.034 -26.886 3.434 1.00 0.00 C ATOM 599 O VAL A 37 9.776 -26.604 4.602 1.00 0.00 O ATOM 600 CB VAL A 37 10.090 -29.389 3.125 1.00 0.00 C ATOM 601 CG1 VAL A 37 10.699 -29.410 4.532 1.00 0.00 C ATOM 602 CG2 VAL A 37 9.138 -30.577 2.967 1.00 0.00 C ATOM 0 H VAL A 37 9.487 -28.836 0.827 1.00 0.00 H new ATOM 0 HA VAL A 37 8.328 -28.100 3.160 1.00 0.00 H new ATOM 0 HB VAL A 37 10.929 -29.455 2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.202 -30.363 4.697 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.420 -28.598 4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.909 -29.284 5.272 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.662 -31.499 3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.285 -30.451 3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 37 8.788 -30.628 1.936 1.00 0.00 H new ATOM 612 N LYS A 38 10.854 -26.127 2.692 1.00 0.00 N ATOM 613 CA LYS A 38 11.378 -24.814 3.126 1.00 0.00 C ATOM 614 C LYS A 38 10.287 -23.874 3.690 1.00 0.00 C ATOM 615 O LYS A 38 10.615 -22.942 4.418 1.00 0.00 O ATOM 616 CB LYS A 38 12.060 -24.110 1.955 1.00 0.00 C ATOM 617 CG LYS A 38 13.220 -24.830 1.261 1.00 0.00 C ATOM 618 CD LYS A 38 14.386 -25.250 2.168 1.00 0.00 C ATOM 619 CE LYS A 38 15.685 -25.501 1.378 1.00 0.00 C ATOM 620 NZ LYS A 38 15.507 -26.416 0.221 1.00 0.00 N ATOM 0 H LYS A 38 11.177 -26.405 1.766 1.00 0.00 H new ATOM 0 HA LYS A 38 12.085 -25.023 3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.300 -23.900 1.203 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.429 -23.149 2.312 1.00 0.00 H new ATOM 0 HG2 LYS A 38 12.828 -25.721 0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.610 -24.180 0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.561 -24.473 2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 38 14.113 -26.155 2.710 1.00 0.00 H new ATOM 0 HE2 LYS A 38 16.074 -24.547 1.021 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.435 -25.919 2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.438 -26.676 -0.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.008 -27.274 0.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 14.950 -25.939 -0.516 1.00 0.00 H new ATOM 634 N ASN A 39 9.020 -24.131 3.346 1.00 0.00 N ATOM 635 CA ASN A 39 7.788 -23.611 3.938 1.00 0.00 C ATOM 636 C ASN A 39 7.931 -23.260 5.438 1.00 0.00 C ATOM 637 O ASN A 39 7.570 -22.159 5.847 1.00 0.00 O ATOM 638 CB ASN A 39 6.731 -24.717 3.679 1.00 0.00 C ATOM 639 CG ASN A 39 5.570 -24.722 4.652 1.00 0.00 C ATOM 640 OD1 ASN A 39 4.399 -24.339 4.224 1.00 0.00 O flip ATOM 641 ND2 ASN A 39 5.685 -25.105 5.798 1.00 0.00 N flip ATOM 0 H ASN A 39 8.815 -24.767 2.575 1.00 0.00 H new ATOM 0 HA ASN A 39 7.501 -22.660 3.489 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.340 -24.598 2.668 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.224 -25.688 3.718 1.00 0.00 H new ATOM 0 HD21 ASN A 39 6.595 -25.407 6.146 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.872 -25.125 6.413 1.00 0.00 H new ATOM 648 N ALA A 40 8.531 -24.160 6.221 1.00 0.00 N ATOM 649 CA ALA A 40 8.743 -24.025 7.663 1.00 0.00 C ATOM 650 C ALA A 40 9.426 -22.710 8.092 1.00 0.00 C ATOM 651 O ALA A 40 9.067 -22.107 9.098 1.00 0.00 O ATOM 652 CB ALA A 40 9.574 -25.242 8.083 1.00 0.00 C ATOM 0 H ALA A 40 8.897 -25.038 5.852 1.00 0.00 H new ATOM 0 HA ALA A 40 7.775 -23.986 8.162 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.767 -25.199 9.155 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.026 -26.155 7.849 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.521 -25.239 7.544 1.00 0.00 H new ATOM 658 N MET A 41 10.368 -22.212 7.280 1.00 0.00 N ATOM 659 CA MET A 41 11.178 -21.017 7.561 1.00 0.00 C ATOM 660 C MET A 41 10.716 -19.784 6.760 1.00 0.00 C ATOM 661 O MET A 41 11.528 -18.940 6.383 1.00 0.00 O ATOM 662 CB MET A 41 12.678 -21.342 7.406 1.00 0.00 C ATOM 663 CG MET A 41 13.069 -21.852 6.010 1.00 0.00 C ATOM 664 SD MET A 41 14.850 -22.038 5.704 1.00 0.00 S ATOM 665 CE MET A 41 15.339 -20.292 5.620 1.00 0.00 C ATOM 0 H MET A 41 10.595 -22.641 6.383 1.00 0.00 H new ATOM 0 HA MET A 41 11.022 -20.731 8.601 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.258 -20.446 7.629 1.00 0.00 H new ATOM 0 HB3 MET A 41 12.954 -22.093 8.146 1.00 0.00 H new ATOM 0 HG2 MET A 41 12.590 -22.818 5.850 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.662 -21.167 5.267 1.00 0.00 H new ATOM 0 HE1 MET A 41 16.360 -20.218 5.246 1.00 0.00 H new ATOM 0 HE2 MET A 41 14.667 -19.758 4.949 1.00 0.00 H new ATOM 0 HE3 MET A 41 15.285 -19.851 6.615 1.00 0.00 H new ATOM 675 N THR A 42 9.408 -19.682 6.495 1.00 0.00 N ATOM 676 CA THR A 42 8.752 -18.582 5.749 1.00 0.00 C ATOM 677 C THR A 42 7.394 -18.248 6.370 1.00 0.00 C ATOM 678 O THR A 42 6.921 -18.929 7.274 1.00 0.00 O ATOM 679 CB THR A 42 8.558 -18.928 4.253 1.00 0.00 C ATOM 680 OG1 THR A 42 8.100 -20.244 4.083 1.00 0.00 O ATOM 681 CG2 THR A 42 9.864 -18.829 3.473 1.00 0.00 C ATOM 0 H THR A 42 8.742 -20.390 6.804 1.00 0.00 H new ATOM 0 HA THR A 42 9.412 -17.717 5.815 1.00 0.00 H new ATOM 0 HB THR A 42 7.829 -18.207 3.882 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.862 -20.623 4.955 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.683 -19.080 2.428 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.252 -17.813 3.541 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.592 -19.524 3.892 1.00 0.00 H new ATOM 689 N GLU A 43 6.719 -17.221 5.858 1.00 0.00 N ATOM 690 CA GLU A 43 5.326 -16.895 6.190 1.00 0.00 C ATOM 691 C GLU A 43 4.300 -18.010 5.879 1.00 0.00 C ATOM 692 O GLU A 43 3.130 -17.883 6.221 1.00 0.00 O ATOM 693 CB GLU A 43 4.925 -15.588 5.491 1.00 0.00 C ATOM 694 CG GLU A 43 5.149 -15.554 3.972 1.00 0.00 C ATOM 695 CD GLU A 43 6.541 -15.049 3.578 1.00 0.00 C ATOM 696 OE1 GLU A 43 7.465 -15.893 3.520 1.00 0.00 O ATOM 697 OE2 GLU A 43 6.670 -13.841 3.312 1.00 0.00 O ATOM 0 H GLU A 43 7.131 -16.575 5.185 1.00 0.00 H new ATOM 0 HA GLU A 43 5.296 -16.782 7.274 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.870 -15.399 5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.485 -14.769 5.942 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.005 -16.556 3.568 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.395 -14.914 3.514 1.00 0.00 H new ATOM 704 N THR A 44 4.727 -19.072 5.200 1.00 0.00 N ATOM 705 CA THR A 44 3.996 -20.261 4.729 1.00 0.00 C ATOM 706 C THR A 44 3.306 -21.140 5.793 1.00 0.00 C ATOM 707 O THR A 44 3.564 -22.331 5.938 1.00 0.00 O ATOM 708 CB THR A 44 4.894 -21.061 3.770 1.00 0.00 C ATOM 709 OG1 THR A 44 5.689 -20.243 2.936 1.00 0.00 O ATOM 710 CG2 THR A 44 4.072 -21.847 2.770 1.00 0.00 C ATOM 0 H THR A 44 5.709 -19.133 4.932 1.00 0.00 H new ATOM 0 HA THR A 44 3.126 -19.873 4.199 1.00 0.00 H new ATOM 0 HB THR A 44 5.495 -21.679 4.438 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.629 -20.320 3.202 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.737 -22.401 2.108 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.424 -22.545 3.300 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.462 -21.162 2.182 1.00 0.00 H new ATOM 718 N LEU A 45 2.306 -20.580 6.467 1.00 0.00 N ATOM 719 CA LEU A 45 1.413 -21.254 7.429 1.00 0.00 C ATOM 720 C LEU A 45 0.615 -22.507 6.934 1.00 0.00 C ATOM 721 O LEU A 45 -0.126 -23.100 7.718 1.00 0.00 O ATOM 722 CB LEU A 45 0.470 -20.220 8.109 1.00 0.00 C ATOM 723 CG LEU A 45 0.558 -18.709 7.806 1.00 0.00 C ATOM 724 CD1 LEU A 45 0.093 -18.347 6.387 1.00 0.00 C ATOM 725 CD2 LEU A 45 -0.363 -17.937 8.758 1.00 0.00 C ATOM 0 H LEU A 45 2.077 -19.592 6.357 1.00 0.00 H new ATOM 0 HA LEU A 45 2.105 -21.690 8.149 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.550 -20.527 7.880 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.603 -20.333 9.185 1.00 0.00 H new ATOM 0 HG LEU A 45 1.610 -18.447 7.922 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.180 -17.271 6.239 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.715 -18.865 5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.946 -18.648 6.257 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.299 -16.871 8.542 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.391 -18.273 8.622 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.055 -18.117 9.788 1.00 0.00 H new ATOM 737 N LEU A 46 0.680 -22.889 5.652 1.00 0.00 N ATOM 738 CA LEU A 46 -0.154 -23.934 5.025 1.00 0.00 C ATOM 739 C LEU A 46 0.389 -24.457 3.690 1.00 0.00 C ATOM 740 O LEU A 46 1.212 -23.807 3.054 1.00 0.00 O ATOM 741 CB LEU A 46 -1.622 -23.474 4.847 1.00 0.00 C ATOM 742 CG LEU A 46 -1.946 -22.035 4.378 1.00 0.00 C ATOM 743 CD1 LEU A 46 -2.434 -21.249 5.587 1.00 0.00 C ATOM 744 CD2 LEU A 46 -0.858 -21.233 3.647 1.00 0.00 C ATOM 0 H LEU A 46 1.337 -22.467 4.996 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.118 -24.766 5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.088 -24.156 4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.123 -23.620 5.804 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.695 -22.171 3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.671 -20.228 5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.327 -21.724 5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.654 -21.231 6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.245 -20.248 3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.010 -21.122 4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.566 -21.760 2.738 1.00 0.00 H new ATOM 756 N VAL A 47 -0.103 -25.625 3.251 1.00 0.00 N ATOM 757 CA VAL A 47 0.288 -26.359 2.041 1.00 0.00 C ATOM 758 C VAL A 47 -0.919 -27.152 1.511 1.00 0.00 C ATOM 759 O VAL A 47 -1.907 -27.382 2.216 1.00 0.00 O ATOM 760 CB VAL A 47 1.498 -27.278 2.332 1.00 0.00 C ATOM 761 CG1 VAL A 47 1.960 -28.165 1.172 1.00 0.00 C ATOM 762 CG2 VAL A 47 2.688 -26.387 2.662 1.00 0.00 C ATOM 0 H VAL A 47 -0.834 -26.114 3.768 1.00 0.00 H new ATOM 0 HA VAL A 47 0.599 -25.655 1.269 1.00 0.00 H new ATOM 0 HB VAL A 47 1.167 -27.938 3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.813 -28.765 1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.145 -28.823 0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.251 -27.539 0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.559 -27.007 2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.902 -25.737 1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.456 -25.779 3.536 1.00 0.00 H new ATOM 772 N GLN A 48 -0.790 -27.624 0.272 1.00 0.00 N ATOM 773 CA GLN A 48 -1.644 -28.608 -0.417 1.00 0.00 C ATOM 774 C GLN A 48 -2.074 -29.778 0.490 1.00 0.00 C ATOM 775 O GLN A 48 -3.141 -30.347 0.290 1.00 0.00 O ATOM 776 CB GLN A 48 -0.902 -29.128 -1.653 1.00 0.00 C ATOM 777 CG GLN A 48 -0.677 -28.032 -2.708 1.00 0.00 C ATOM 778 CD GLN A 48 0.426 -28.442 -3.666 1.00 0.00 C ATOM 779 OE1 GLN A 48 0.235 -29.171 -4.623 1.00 0.00 O ATOM 780 NE2 GLN A 48 1.654 -28.051 -3.415 1.00 0.00 N ATOM 0 H GLN A 48 -0.028 -27.308 -0.328 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.565 -28.103 -0.709 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.061 -29.539 -1.349 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.471 -29.945 -2.098 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.600 -27.854 -3.260 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.413 -27.095 -2.218 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.842 -27.440 -2.620 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.420 -28.358 -4.015 1.00 0.00 H new ATOM 789 N ASN A 49 -1.317 -30.054 1.566 1.00 0.00 N ATOM 790 CA ASN A 49 -1.645 -30.890 2.719 1.00 0.00 C ATOM 791 C ASN A 49 -2.830 -30.336 3.571 1.00 0.00 C ATOM 792 O ASN A 49 -2.882 -30.403 4.808 1.00 0.00 O ATOM 793 CB ASN A 49 -0.333 -31.060 3.496 1.00 0.00 C ATOM 794 CG ASN A 49 0.500 -32.215 2.971 1.00 0.00 C ATOM 795 OD1 ASN A 49 0.438 -32.597 1.818 1.00 0.00 O ATOM 796 ND2 ASN A 49 1.312 -32.797 3.811 1.00 0.00 N ATOM 0 H ASN A 49 -0.380 -29.660 1.652 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.027 -31.862 2.406 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.246 -30.139 3.433 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.556 -31.225 4.550 1.00 0.00 H new ATOM 0 HD21 ASN A 49 1.896 -33.574 3.501 1.00 0.00 H new ATOM 0 HD22 ASN A 49 1.363 -32.475 4.778 1.00 0.00 H new ATOM 803 N ALA A 50 -3.763 -29.684 2.893 1.00 0.00 N ATOM 804 CA ALA A 50 -5.080 -29.226 3.293 1.00 0.00 C ATOM 805 C ALA A 50 -6.211 -30.295 3.367 1.00 0.00 C ATOM 806 O ALA A 50 -7.389 -29.916 3.431 1.00 0.00 O ATOM 807 CB ALA A 50 -5.431 -28.147 2.276 1.00 0.00 C ATOM 0 H ALA A 50 -3.586 -29.432 1.920 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.024 -28.887 4.327 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.417 -27.741 2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.691 -27.348 2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.437 -28.578 1.275 1.00 0.00 H new ATOM 813 N ASN A 51 -5.853 -31.582 3.302 1.00 0.00 N ATOM 814 CA ASN A 51 -6.707 -32.785 3.336 1.00 0.00 C ATOM 815 C ASN A 51 -7.523 -32.921 4.652 1.00 0.00 C ATOM 816 O ASN A 51 -7.312 -32.140 5.582 1.00 0.00 O ATOM 817 CB ASN A 51 -5.900 -34.079 2.985 1.00 0.00 C ATOM 818 CG ASN A 51 -4.372 -34.129 3.039 1.00 0.00 C ATOM 819 OD1 ASN A 51 -3.655 -33.161 3.243 1.00 0.00 O ATOM 820 ND2 ASN A 51 -3.823 -35.292 2.815 1.00 0.00 N ATOM 0 H ASN A 51 -4.869 -31.836 3.216 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.452 -32.655 2.551 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.262 -34.864 3.649 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.187 -34.361 1.972 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.807 -35.384 2.812 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.410 -36.108 2.643 1.00 0.00 H new ATOM 827 N PRO A 52 -8.501 -33.848 4.761 1.00 0.00 N ATOM 828 CA PRO A 52 -9.320 -33.946 5.973 1.00 0.00 C ATOM 829 C PRO A 52 -8.547 -34.428 7.211 1.00 0.00 C ATOM 830 O PRO A 52 -8.735 -33.865 8.288 1.00 0.00 O ATOM 831 CB PRO A 52 -10.487 -34.875 5.621 1.00 0.00 C ATOM 832 CG PRO A 52 -9.969 -35.704 4.448 1.00 0.00 C ATOM 833 CD PRO A 52 -9.004 -34.758 3.736 1.00 0.00 C ATOM 0 HA PRO A 52 -9.669 -32.955 6.265 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.760 -35.508 6.465 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.377 -34.309 5.346 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.465 -36.609 4.788 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.780 -36.019 3.791 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.188 -35.311 3.271 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.510 -34.209 2.942 1.00 0.00 H new ATOM 841 N ASP A 53 -7.666 -35.421 7.090 1.00 0.00 N ATOM 842 CA ASP A 53 -7.008 -36.085 8.218 1.00 0.00 C ATOM 843 C ASP A 53 -6.049 -35.120 8.939 1.00 0.00 C ATOM 844 O ASP A 53 -6.255 -34.802 10.111 1.00 0.00 O ATOM 845 CB ASP A 53 -6.295 -37.352 7.704 1.00 0.00 C ATOM 846 CG ASP A 53 -7.168 -38.172 6.741 1.00 0.00 C ATOM 847 OD1 ASP A 53 -7.246 -37.746 5.560 1.00 0.00 O ATOM 848 OD2 ASP A 53 -7.757 -39.186 7.169 1.00 0.00 O ATOM 0 H ASP A 53 -7.383 -35.796 6.185 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.749 -36.386 8.958 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.373 -37.066 7.198 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.013 -37.975 8.553 1.00 0.00 H new ATOM 853 N CYS A 54 -5.080 -34.531 8.215 1.00 0.00 N ATOM 854 CA CYS A 54 -4.238 -33.425 8.711 1.00 0.00 C ATOM 855 C CYS A 54 -5.088 -32.365 9.393 1.00 0.00 C ATOM 856 O CYS A 54 -4.837 -32.017 10.531 1.00 0.00 O ATOM 857 CB CYS A 54 -3.433 -32.730 7.590 1.00 0.00 C ATOM 858 SG CYS A 54 -4.370 -32.778 6.059 1.00 0.00 S ATOM 0 H CYS A 54 -4.857 -34.811 7.260 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.540 -33.881 9.414 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.222 -31.697 7.867 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.472 -33.227 7.456 1.00 0.00 H new ATOM 0 HG CYS A 54 -3.557 -32.937 5.057 1.00 0.00 H new ATOM 864 N LYS A 55 -6.088 -31.812 8.718 1.00 0.00 N ATOM 865 CA LYS A 55 -6.979 -30.795 9.308 1.00 0.00 C ATOM 866 C LYS A 55 -7.609 -31.220 10.626 1.00 0.00 C ATOM 867 O LYS A 55 -7.492 -30.454 11.572 1.00 0.00 O ATOM 868 CB LYS A 55 -8.038 -30.391 8.304 1.00 0.00 C ATOM 869 CG LYS A 55 -7.584 -29.208 7.430 1.00 0.00 C ATOM 870 CD LYS A 55 -6.203 -29.311 6.750 1.00 0.00 C ATOM 871 CE LYS A 55 -5.059 -28.741 7.609 1.00 0.00 C ATOM 872 NZ LYS A 55 -3.719 -29.212 7.182 1.00 0.00 N ATOM 0 H LYS A 55 -6.312 -32.047 7.751 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.355 -29.935 9.549 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.276 -31.242 7.666 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.953 -30.122 8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.332 -29.059 6.651 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.587 -28.312 8.050 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.993 -30.357 6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.233 -28.780 5.799 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.086 -27.652 7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.221 -29.020 8.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.105 -29.313 8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.810 -30.132 6.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.301 -28.522 6.525 1.00 0.00 H new ATOM 886 N THR A 56 -8.148 -32.432 10.713 1.00 0.00 N ATOM 887 CA THR A 56 -8.642 -33.056 11.955 1.00 0.00 C ATOM 888 C THR A 56 -7.569 -33.105 13.054 1.00 0.00 C ATOM 889 O THR A 56 -7.898 -33.178 14.234 1.00 0.00 O ATOM 890 CB THR A 56 -9.203 -34.460 11.656 1.00 0.00 C ATOM 891 OG1 THR A 56 -10.106 -34.377 10.573 1.00 0.00 O ATOM 892 CG2 THR A 56 -9.997 -35.064 12.813 1.00 0.00 C ATOM 0 H THR A 56 -8.261 -33.035 9.898 1.00 0.00 H new ATOM 0 HA THR A 56 -9.447 -32.431 12.341 1.00 0.00 H new ATOM 0 HB THR A 56 -8.335 -35.087 11.454 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.605 -34.350 9.731 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.360 -36.052 12.529 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.354 -35.152 13.689 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.844 -34.420 13.048 1.00 0.00 H new ATOM 900 N ILE A 57 -6.293 -32.977 12.674 1.00 0.00 N ATOM 901 CA ILE A 57 -5.124 -32.979 13.577 1.00 0.00 C ATOM 902 C ILE A 57 -4.629 -31.545 13.880 1.00 0.00 C ATOM 903 O ILE A 57 -4.763 -31.110 15.023 1.00 0.00 O ATOM 904 CB ILE A 57 -4.016 -33.911 13.030 1.00 0.00 C ATOM 905 CG1 ILE A 57 -4.530 -35.363 12.876 1.00 0.00 C ATOM 906 CG2 ILE A 57 -2.797 -33.905 13.965 1.00 0.00 C ATOM 907 CD1 ILE A 57 -3.799 -36.136 11.770 1.00 0.00 C ATOM 0 H ILE A 57 -6.030 -32.865 11.695 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.430 -33.388 14.540 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.727 -33.534 12.049 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.408 -35.889 13.823 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.597 -35.345 12.656 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.028 -34.566 13.565 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.402 -32.892 14.041 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.095 -34.253 14.954 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.200 -37.147 11.707 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.942 -35.629 10.816 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.735 -36.182 12.001 1.00 0.00 H new ATOM 919 N LEU A 58 -4.140 -30.751 12.902 1.00 0.00 N ATOM 920 CA LEU A 58 -3.733 -29.340 13.085 1.00 0.00 C ATOM 921 C LEU A 58 -4.805 -28.466 13.750 1.00 0.00 C ATOM 922 O LEU A 58 -4.466 -27.461 14.374 1.00 0.00 O ATOM 923 CB LEU A 58 -3.276 -28.670 11.774 1.00 0.00 C ATOM 924 CG LEU A 58 -2.051 -29.331 11.128 1.00 0.00 C ATOM 925 CD1 LEU A 58 -2.411 -30.534 10.274 1.00 0.00 C ATOM 926 CD2 LEU A 58 -1.263 -28.371 10.228 1.00 0.00 C ATOM 0 H LEU A 58 -4.015 -31.079 11.944 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.883 -29.404 13.764 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.102 -28.686 11.063 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.048 -27.623 11.974 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.442 -29.640 11.978 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.504 -30.959 9.844 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.906 -31.284 10.892 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.082 -30.224 9.473 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.408 -28.894 9.799 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.908 -28.011 9.427 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.912 -27.525 10.818 1.00 0.00 H new ATOM 938 N LYS A 59 -6.069 -28.899 13.679 1.00 0.00 N ATOM 939 CA LYS A 59 -7.197 -28.404 14.501 1.00 0.00 C ATOM 940 C LYS A 59 -6.804 -28.083 15.951 1.00 0.00 C ATOM 941 O LYS A 59 -7.230 -27.068 16.495 1.00 0.00 O ATOM 942 CB LYS A 59 -8.302 -29.470 14.530 1.00 0.00 C ATOM 943 CG LYS A 59 -9.372 -29.267 13.456 1.00 0.00 C ATOM 944 CD LYS A 59 -10.539 -28.425 13.966 1.00 0.00 C ATOM 945 CE LYS A 59 -11.580 -28.324 12.854 1.00 0.00 C ATOM 946 NZ LYS A 59 -12.517 -27.222 13.127 1.00 0.00 N ATOM 0 H LYS A 59 -6.352 -29.630 13.026 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.534 -27.476 14.039 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.851 -30.454 14.401 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.777 -29.463 15.511 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.927 -28.782 12.587 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.742 -30.237 13.124 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.976 -28.881 14.855 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.193 -27.432 14.254 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.085 -28.160 11.897 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.127 -29.263 12.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.876 -26.841 12.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.313 -27.576 13.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.025 -26.470 13.650 1.00 0.00 H new ATOM 960 N ALA A 60 -5.967 -28.945 16.526 1.00 0.00 N ATOM 961 CA ALA A 60 -5.388 -28.857 17.869 1.00 0.00 C ATOM 962 C ALA A 60 -3.842 -28.933 17.860 1.00 0.00 C ATOM 963 O ALA A 60 -3.212 -28.889 18.913 1.00 0.00 O ATOM 964 CB ALA A 60 -6.012 -29.973 18.718 1.00 0.00 C ATOM 0 H ALA A 60 -5.653 -29.781 16.034 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.618 -27.882 18.299 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.601 -29.936 19.727 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.093 -29.837 18.761 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.786 -30.941 18.270 1.00 0.00 H new ATOM 970 N LEU A 61 -3.227 -29.010 16.670 1.00 0.00 N ATOM 971 CA LEU A 61 -1.793 -29.206 16.441 1.00 0.00 C ATOM 972 C LEU A 61 -1.170 -28.085 15.584 1.00 0.00 C ATOM 973 O LEU A 61 -0.310 -28.301 14.733 1.00 0.00 O ATOM 974 CB LEU A 61 -1.554 -30.636 15.913 1.00 0.00 C ATOM 975 CG LEU A 61 -0.487 -31.374 16.740 1.00 0.00 C ATOM 976 CD1 LEU A 61 -0.447 -32.859 16.403 1.00 0.00 C ATOM 977 CD2 LEU A 61 0.906 -30.792 16.510 1.00 0.00 C ATOM 0 H LEU A 61 -3.748 -28.933 15.796 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.258 -29.121 17.387 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.489 -31.196 15.941 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.240 -30.592 14.870 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.768 -31.243 17.785 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.318 -33.348 17.006 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.418 -33.307 16.615 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.212 -32.986 15.346 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.633 -31.339 17.111 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.167 -30.880 15.455 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.914 -29.741 16.799 1.00 0.00 H new ATOM 989 N GLY A 62 -1.595 -26.848 15.848 1.00 0.00 N ATOM 990 CA GLY A 62 -0.964 -25.625 15.342 1.00 0.00 C ATOM 991 C GLY A 62 -0.330 -24.783 16.458 1.00 0.00 C ATOM 992 O GLY A 62 -0.638 -23.593 16.518 1.00 0.00 O ATOM 0 H GLY A 62 -2.409 -26.663 16.435 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.199 -25.890 14.613 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.709 -25.026 14.818 1.00 0.00 H new ATOM 996 N PRO A 63 0.526 -25.334 17.354 1.00 0.00 N ATOM 997 CA PRO A 63 1.135 -24.611 18.481 1.00 0.00 C ATOM 998 C PRO A 63 2.291 -23.688 18.038 1.00 0.00 C ATOM 999 O PRO A 63 3.321 -23.611 18.698 1.00 0.00 O ATOM 1000 CB PRO A 63 1.595 -25.719 19.439 1.00 0.00 C ATOM 1001 CG PRO A 63 2.082 -26.785 18.465 1.00 0.00 C ATOM 1002 CD PRO A 63 1.016 -26.711 17.376 1.00 0.00 C ATOM 0 HA PRO A 63 0.431 -23.928 18.957 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.388 -25.381 20.106 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.782 -26.080 20.068 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.078 -26.565 18.080 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.129 -27.771 18.926 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.433 -26.988 16.408 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.203 -27.407 17.584 1.00 0.00 H new ATOM 1010 N ALA A 64 2.153 -23.046 16.872 1.00 0.00 N ATOM 1011 CA ALA A 64 3.100 -22.074 16.298 1.00 0.00 C ATOM 1012 C ALA A 64 4.556 -22.561 16.059 1.00 0.00 C ATOM 1013 O ALA A 64 5.440 -21.742 15.839 1.00 0.00 O ATOM 1014 CB ALA A 64 3.017 -20.769 17.106 1.00 0.00 C ATOM 0 H ALA A 64 1.341 -23.195 16.273 1.00 0.00 H new ATOM 0 HA ALA A 64 2.776 -21.907 15.271 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.713 -20.040 16.692 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.003 -20.373 17.054 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.276 -20.968 18.146 1.00 0.00 H new ATOM 1020 N ALA A 65 4.789 -23.878 16.052 1.00 0.00 N ATOM 1021 CA ALA A 65 6.046 -24.506 15.623 1.00 0.00 C ATOM 1022 C ALA A 65 5.773 -25.884 14.999 1.00 0.00 C ATOM 1023 O ALA A 65 6.002 -26.094 13.823 1.00 0.00 O ATOM 1024 CB ALA A 65 6.995 -24.604 16.825 1.00 0.00 C ATOM 0 H ALA A 65 4.089 -24.557 16.353 1.00 0.00 H new ATOM 0 HA ALA A 65 6.522 -23.895 14.856 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.930 -25.069 16.513 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.198 -23.605 17.211 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.532 -25.207 17.606 1.00 0.00 H new ATOM 1030 N THR A 66 5.117 -26.807 15.710 1.00 0.00 N ATOM 1031 CA THR A 66 4.801 -28.168 15.205 1.00 0.00 C ATOM 1032 C THR A 66 3.984 -28.197 13.889 1.00 0.00 C ATOM 1033 O THR A 66 3.905 -29.207 13.205 1.00 0.00 O ATOM 1034 CB THR A 66 4.128 -28.996 16.315 1.00 0.00 C ATOM 1035 OG1 THR A 66 4.698 -28.687 17.573 1.00 0.00 O ATOM 1036 CG2 THR A 66 4.292 -30.502 16.155 1.00 0.00 C ATOM 0 H THR A 66 4.784 -26.640 16.659 1.00 0.00 H new ATOM 0 HA THR A 66 5.754 -28.624 14.937 1.00 0.00 H new ATOM 0 HB THR A 66 3.072 -28.737 16.245 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.260 -29.219 18.270 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.789 -31.012 16.977 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.852 -30.817 15.209 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.352 -30.756 16.165 1.00 0.00 H new ATOM 1044 N LEU A 67 3.415 -27.077 13.447 1.00 0.00 N ATOM 1045 CA LEU A 67 2.836 -26.938 12.104 1.00 0.00 C ATOM 1046 C LEU A 67 3.845 -27.299 10.994 1.00 0.00 C ATOM 1047 O LEU A 67 3.483 -27.958 10.029 1.00 0.00 O ATOM 1048 CB LEU A 67 2.386 -25.487 11.992 1.00 0.00 C ATOM 1049 CG LEU A 67 1.514 -25.024 10.805 1.00 0.00 C ATOM 1050 CD1 LEU A 67 1.763 -23.527 10.639 1.00 0.00 C ATOM 1051 CD2 LEU A 67 1.778 -25.724 9.487 1.00 0.00 C ATOM 0 H LEU A 67 3.340 -26.231 14.012 1.00 0.00 H new ATOM 0 HA LEU A 67 2.003 -27.628 11.970 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.839 -25.249 12.904 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.285 -24.871 11.989 1.00 0.00 H new ATOM 0 HG LEU A 67 0.481 -25.275 11.045 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.167 -23.149 9.808 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.480 -23.007 11.555 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.820 -23.354 10.435 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.112 -25.323 8.722 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.813 -25.560 9.189 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.598 -26.793 9.600 1.00 0.00 H new ATOM 1063 N GLU A 68 5.099 -26.888 11.131 1.00 0.00 N ATOM 1064 CA GLU A 68 6.205 -27.236 10.219 1.00 0.00 C ATOM 1065 C GLU A 68 6.254 -28.732 9.872 1.00 0.00 C ATOM 1066 O GLU A 68 6.370 -29.111 8.702 1.00 0.00 O ATOM 1067 CB GLU A 68 7.544 -26.857 10.883 1.00 0.00 C ATOM 1068 CG GLU A 68 7.647 -25.378 11.260 1.00 0.00 C ATOM 1069 CD GLU A 68 8.918 -25.072 12.085 1.00 0.00 C ATOM 1070 OE1 GLU A 68 10.028 -25.398 11.602 1.00 0.00 O ATOM 1071 OE2 GLU A 68 8.770 -24.552 13.218 1.00 0.00 O ATOM 0 H GLU A 68 5.394 -26.285 11.899 1.00 0.00 H new ATOM 0 HA GLU A 68 6.036 -26.684 9.295 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.678 -27.462 11.780 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.360 -27.107 10.205 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.650 -24.773 10.353 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.766 -25.089 11.833 1.00 0.00 H new ATOM 1078 N GLU A 69 6.066 -29.592 10.877 1.00 0.00 N ATOM 1079 CA GLU A 69 5.901 -31.028 10.599 1.00 0.00 C ATOM 1080 C GLU A 69 4.550 -31.324 9.954 1.00 0.00 C ATOM 1081 O GLU A 69 4.465 -32.103 9.014 1.00 0.00 O ATOM 1082 CB GLU A 69 6.124 -31.932 11.819 1.00 0.00 C ATOM 1083 CG GLU A 69 5.020 -31.959 12.885 1.00 0.00 C ATOM 1084 CD GLU A 69 5.090 -33.257 13.695 1.00 0.00 C ATOM 1085 OE1 GLU A 69 4.553 -34.266 13.184 1.00 0.00 O ATOM 1086 OE2 GLU A 69 5.670 -33.231 14.804 1.00 0.00 O ATOM 0 H GLU A 69 6.024 -29.334 11.863 1.00 0.00 H new ATOM 0 HA GLU A 69 6.693 -31.271 9.891 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.273 -32.951 11.461 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.052 -31.625 12.302 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.127 -31.102 13.550 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.044 -31.873 12.408 1.00 0.00 H new ATOM 1093 N MET A 70 3.481 -30.677 10.410 1.00 0.00 N ATOM 1094 CA MET A 70 2.115 -30.977 9.983 1.00 0.00 C ATOM 1095 C MET A 70 1.812 -30.617 8.522 1.00 0.00 C ATOM 1096 O MET A 70 0.970 -31.232 7.860 1.00 0.00 O ATOM 1097 CB MET A 70 1.159 -30.259 10.887 1.00 0.00 C ATOM 1098 CG MET A 70 1.168 -30.708 12.330 1.00 0.00 C ATOM 1099 SD MET A 70 0.164 -32.195 12.609 1.00 0.00 S ATOM 1100 CE MET A 70 1.477 -33.419 12.884 1.00 0.00 C ATOM 0 H MET A 70 3.538 -29.922 11.093 1.00 0.00 H new ATOM 0 HA MET A 70 1.999 -32.059 10.050 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.386 -29.193 10.855 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.150 -30.382 10.492 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.195 -30.905 12.638 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.796 -29.900 12.960 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.031 -34.396 13.072 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.113 -33.475 12.001 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.076 -33.123 13.745 1.00 0.00 H new ATOM 1110 N MET A 71 2.530 -29.612 8.029 1.00 0.00 N ATOM 1111 CA MET A 71 2.626 -29.208 6.629 1.00 0.00 C ATOM 1112 C MET A 71 3.087 -30.385 5.776 1.00 0.00 C ATOM 1113 O MET A 71 2.553 -30.587 4.695 1.00 0.00 O ATOM 1114 CB MET A 71 3.603 -28.024 6.491 1.00 0.00 C ATOM 1115 CG MET A 71 4.126 -27.892 5.053 1.00 0.00 C ATOM 1116 SD MET A 71 5.678 -28.763 4.675 1.00 0.00 S ATOM 1117 CE MET A 71 5.684 -28.726 2.867 1.00 0.00 C ATOM 0 H MET A 71 3.097 -29.020 8.636 1.00 0.00 H new ATOM 0 HA MET A 71 1.643 -28.892 6.279 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.102 -27.101 6.783 1.00 0.00 H new ATOM 0 HB3 MET A 71 4.442 -28.161 7.173 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.355 -28.257 4.374 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.267 -26.833 4.836 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.542 -29.286 2.494 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.765 -29.176 2.491 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.749 -27.693 2.524 1.00 0.00 H new ATOM 1127 N THR A 72 4.049 -31.148 6.271 1.00 0.00 N ATOM 1128 CA THR A 72 4.597 -32.365 5.658 1.00 0.00 C ATOM 1129 C THR A 72 3.796 -33.636 5.963 1.00 0.00 C ATOM 1130 O THR A 72 3.582 -34.449 5.065 1.00 0.00 O ATOM 1131 CB THR A 72 5.984 -32.658 6.256 1.00 0.00 C ATOM 1132 OG1 THR A 72 6.803 -31.508 6.348 1.00 0.00 O ATOM 1133 CG2 THR A 72 6.791 -33.669 5.447 1.00 0.00 C ATOM 0 H THR A 72 4.498 -30.929 7.160 1.00 0.00 H new ATOM 0 HA THR A 72 4.591 -32.162 4.587 1.00 0.00 H new ATOM 0 HB THR A 72 5.745 -33.052 7.244 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.441 -30.802 5.773 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.758 -33.829 5.925 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.249 -34.613 5.400 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.944 -33.288 4.437 1.00 0.00 H new ATOM 1141 N ALA A 73 3.313 -33.787 7.203 1.00 0.00 N ATOM 1142 CA ALA A 73 2.849 -35.050 7.784 1.00 0.00 C ATOM 1143 C ALA A 73 1.828 -35.816 6.945 1.00 0.00 C ATOM 1144 O ALA A 73 1.859 -37.042 6.872 1.00 0.00 O ATOM 1145 CB ALA A 73 2.307 -34.758 9.188 1.00 0.00 C ATOM 0 H ALA A 73 3.232 -33.004 7.851 1.00 0.00 H new ATOM 0 HA ALA A 73 3.708 -35.720 7.820 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.955 -35.684 9.642 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.100 -34.331 9.802 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.481 -34.051 9.119 1.00 0.00 H new ATOM 1151 N CYS A 74 0.937 -35.079 6.288 1.00 0.00 N ATOM 1152 CA CYS A 74 -0.195 -35.682 5.571 1.00 0.00 C ATOM 1153 C CYS A 74 -0.017 -35.725 4.034 1.00 0.00 C ATOM 1154 O CYS A 74 -0.998 -35.665 3.293 1.00 0.00 O ATOM 1155 CB CYS A 74 -1.446 -34.968 6.073 1.00 0.00 C ATOM 1156 SG CYS A 74 -2.936 -35.973 5.904 1.00 0.00 S ATOM 0 H CYS A 74 0.973 -34.061 6.234 1.00 0.00 H new ATOM 0 HA CYS A 74 -0.277 -36.746 5.791 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.311 -34.700 7.121 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.575 -34.038 5.520 1.00 0.00 H new ATOM 0 HG CYS A 74 -3.962 -35.199 5.708 1.00 0.00 H new ATOM 1162 N GLN A 75 1.226 -35.767 3.523 1.00 0.00 N ATOM 1163 CA GLN A 75 1.518 -35.727 2.076 1.00 0.00 C ATOM 1164 C GLN A 75 1.017 -36.972 1.316 1.00 0.00 C ATOM 1165 O GLN A 75 1.700 -37.988 1.218 1.00 0.00 O ATOM 1166 CB GLN A 75 2.987 -35.338 1.796 1.00 0.00 C ATOM 1167 CG GLN A 75 4.090 -36.306 2.268 1.00 0.00 C ATOM 1168 CD GLN A 75 5.497 -35.709 2.145 1.00 0.00 C ATOM 1169 OE1 GLN A 75 6.312 -35.768 3.043 1.00 0.00 O ATOM 1170 NE2 GLN A 75 5.855 -35.088 1.039 1.00 0.00 N ATOM 0 H GLN A 75 2.062 -35.830 4.104 1.00 0.00 H new ATOM 0 HA GLN A 75 0.924 -34.918 1.651 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.098 -35.203 0.720 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.171 -34.369 2.260 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.906 -36.580 3.307 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.037 -37.223 1.682 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.201 -35.016 0.260 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.787 -34.680 0.962 1.00 0.00 H new