USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=20 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 71 MET CE :methyl -170:sc= -0.395 (180deg=-0.827) USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= -0.0121 USER MOD Set 2.1: A 56 THR OG1 : rot 180:sc= 0.056 USER MOD Set 2.2: A 59 LYS NZ :NH3+ -162:sc= 0.952 (180deg=0.584) USER MOD Set 3.1: A 35 GLN :FLIP amide:sc= 1.63 F(o=2.2,f=2.8) USER MOD Set 3.2: A 48 GLN :FLIP amide:sc= 1.18 F(o=2.2,f=2.8) USER MOD Set 4.1: A 26 LYS NZ :NH3+ 165:sc= 0.509 (180deg=-0.495) USER MOD Set 4.2: A 27 THR OG1 : rot 65:sc= 0.591 USER MOD Set 5.1: A 25 TYR OH : rot 180:sc= 0.792 USER MOD Set 5.2: A 39 ASN : amide:sc= -0.728 K(o=0.74,f=-2) USER MOD Set 5.3: A 44 THR OG1 : rot -40:sc= 0.677 USER MOD Single : A 11 GLN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 153:sc= 0.809 (180deg=-0.106) USER MOD Single : A 20 TYR OH : rot 30:sc= -0.0186 USER MOD Single : A 32 GLN : amide:sc= 0.00255 K(o=0.0025,f=-1.2) USER MOD Single : A 34 SER OG : rot 63:sc= 0.714 USER MOD Single : A 38 LYS NZ :NH3+ 146:sc= 1.99 (180deg=1.07) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.388 USER MOD Single : A 49 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.18) USER MOD Single : A 51 ASN : amide:sc= -1.48! C(o=-1.5!,f=-3.1!) USER MOD Single : A 54 CYS SG : rot -146:sc= 0.301 USER MOD Single : A 55 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.16) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0338 USER MOD Single : A 70 MET CE :methyl 169:sc= -0.0324 (180deg=-0.0928) USER MOD Single : A 74 CYS SG : rot 110:sc= -1.41 USER MOD Single : A 75 GLN : amide:sc= 0.798 K(o=0.8,f=0) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 6 1.589 -10.856 2.138 1.00 0.00 N ATOM 71 CA ILE A 6 1.256 -11.915 3.100 1.00 0.00 C ATOM 72 C ILE A 6 1.349 -11.520 4.603 1.00 0.00 C ATOM 73 O ILE A 6 1.470 -12.319 5.526 1.00 0.00 O ATOM 74 CB ILE A 6 1.833 -13.266 2.660 1.00 0.00 C ATOM 75 CG1 ILE A 6 0.825 -14.414 2.904 1.00 0.00 C ATOM 76 CG2 ILE A 6 3.243 -13.485 3.204 1.00 0.00 C ATOM 77 CD1 ILE A 6 0.094 -14.448 4.266 1.00 0.00 C ATOM 0 HA ILE A 6 0.177 -12.067 3.062 1.00 0.00 H new ATOM 0 HB ILE A 6 1.974 -13.260 1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.070 -14.371 2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.356 -15.358 2.784 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.616 -14.453 2.870 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.901 -12.697 2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.220 -13.462 4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.579 -15.305 4.296 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.826 -14.533 5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.480 -13.530 4.394 1.00 0.00 H new ATOM 89 N LEU A 7 1.179 -10.229 4.837 1.00 0.00 N ATOM 90 CA LEU A 7 0.911 -9.604 6.141 1.00 0.00 C ATOM 91 C LEU A 7 -0.187 -8.516 6.044 1.00 0.00 C ATOM 92 O LEU A 7 -0.371 -7.693 6.935 1.00 0.00 O ATOM 93 CB LEU A 7 2.240 -9.204 6.799 1.00 0.00 C ATOM 94 CG LEU A 7 3.146 -8.196 6.060 1.00 0.00 C ATOM 95 CD1 LEU A 7 2.570 -6.783 5.967 1.00 0.00 C ATOM 96 CD2 LEU A 7 4.485 -8.096 6.795 1.00 0.00 C ATOM 0 H LEU A 7 1.225 -9.542 4.085 1.00 0.00 H new ATOM 0 HA LEU A 7 0.462 -10.318 6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.014 -8.790 7.782 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.818 -10.114 6.962 1.00 0.00 H new ATOM 0 HG LEU A 7 3.247 -8.577 5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.269 -6.139 5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.621 -6.811 5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.408 -6.389 6.970 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.131 -7.386 6.279 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.315 -7.756 7.817 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.964 -9.075 6.813 1.00 0.00 H new ATOM 108 N ASP A 8 -0.943 -8.583 4.944 1.00 0.00 N ATOM 109 CA ASP A 8 -1.908 -7.602 4.427 1.00 0.00 C ATOM 110 C ASP A 8 -3.317 -8.223 4.247 1.00 0.00 C ATOM 111 O ASP A 8 -4.246 -7.607 3.729 1.00 0.00 O ATOM 112 CB ASP A 8 -1.350 -7.172 3.056 1.00 0.00 C ATOM 113 CG ASP A 8 -0.838 -5.736 2.970 1.00 0.00 C ATOM 114 OD1 ASP A 8 -1.515 -4.817 3.471 1.00 0.00 O ATOM 115 OD2 ASP A 8 0.242 -5.586 2.347 1.00 0.00 O ATOM 0 H ASP A 8 -0.892 -9.400 4.335 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.024 -6.768 5.119 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.536 -7.845 2.789 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.132 -7.305 2.308 1.00 0.00 H new ATOM 120 N ILE A 9 -3.467 -9.500 4.623 1.00 0.00 N ATOM 121 CA ILE A 9 -4.620 -10.364 4.357 1.00 0.00 C ATOM 122 C ILE A 9 -4.958 -11.214 5.586 1.00 0.00 C ATOM 123 O ILE A 9 -4.166 -11.318 6.521 1.00 0.00 O ATOM 124 CB ILE A 9 -4.350 -11.266 3.138 1.00 0.00 C ATOM 125 CG1 ILE A 9 -3.298 -12.364 3.421 1.00 0.00 C ATOM 126 CG2 ILE A 9 -4.006 -10.426 1.890 1.00 0.00 C ATOM 127 CD1 ILE A 9 -3.293 -13.403 2.299 1.00 0.00 C ATOM 0 H ILE A 9 -2.742 -9.984 5.153 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.477 -9.728 4.135 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.276 -11.801 2.927 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.309 -11.914 3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.517 -12.849 4.373 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.820 -11.089 1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.840 -9.764 1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.114 -9.830 2.087 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.547 -14.168 2.515 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.277 -13.866 2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.051 -12.917 1.354 1.00 0.00 H new ATOM 139 N ARG A 10 -6.099 -11.919 5.569 1.00 0.00 N ATOM 140 CA ARG A 10 -6.394 -12.933 6.592 1.00 0.00 C ATOM 141 C ARG A 10 -5.441 -14.130 6.554 1.00 0.00 C ATOM 142 O ARG A 10 -5.051 -14.607 5.489 1.00 0.00 O ATOM 143 CB ARG A 10 -7.854 -13.416 6.486 1.00 0.00 C ATOM 144 CG ARG A 10 -8.243 -14.190 5.205 1.00 0.00 C ATOM 145 CD ARG A 10 -7.878 -15.693 5.241 1.00 0.00 C ATOM 146 NE ARG A 10 -8.895 -16.568 4.612 1.00 0.00 N ATOM 147 CZ ARG A 10 -9.983 -17.066 5.180 1.00 0.00 C ATOM 148 NH1 ARG A 10 -10.340 -16.733 6.390 1.00 0.00 N ATOM 149 NH2 ARG A 10 -10.728 -17.928 4.545 1.00 0.00 N ATOM 0 H ARG A 10 -6.827 -11.807 4.864 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.243 -12.439 7.552 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.064 -14.054 7.345 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.506 -12.546 6.568 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.317 -14.091 5.046 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.750 -13.728 4.350 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.924 -15.838 4.735 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.739 -15.999 6.278 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.740 -16.814 3.634 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.776 -16.073 6.925 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.183 -17.133 6.801 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.475 -18.224 3.602 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.564 -18.306 4.991 1.00 0.00 H new ATOM 163 N GLN A 11 -5.214 -14.694 7.733 1.00 0.00 N ATOM 164 CA GLN A 11 -4.623 -16.006 7.917 1.00 0.00 C ATOM 165 C GLN A 11 -5.720 -17.007 8.318 1.00 0.00 C ATOM 166 O GLN A 11 -6.819 -16.645 8.747 1.00 0.00 O ATOM 167 CB GLN A 11 -3.418 -15.960 8.881 1.00 0.00 C ATOM 168 CG GLN A 11 -3.784 -15.824 10.370 1.00 0.00 C ATOM 169 CD GLN A 11 -2.578 -15.673 11.306 1.00 0.00 C ATOM 170 OE1 GLN A 11 -2.659 -15.049 12.348 1.00 0.00 O ATOM 171 NE2 GLN A 11 -1.431 -16.253 11.018 1.00 0.00 N ATOM 0 H GLN A 11 -5.445 -14.233 8.613 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.201 -16.358 6.976 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.830 -16.868 8.748 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.779 -15.123 8.601 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.436 -14.959 10.494 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.356 -16.701 10.673 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.331 -16.783 10.152 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.643 -16.172 11.661 1.00 0.00 H new ATOM 180 N GLY A 12 -5.419 -18.284 8.148 1.00 0.00 N ATOM 181 CA GLY A 12 -6.313 -19.378 8.533 1.00 0.00 C ATOM 182 C GLY A 12 -5.677 -20.763 8.444 1.00 0.00 C ATOM 183 O GLY A 12 -6.126 -21.560 7.626 1.00 0.00 O ATOM 0 H GLY A 12 -4.541 -18.599 7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.654 -19.212 9.555 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.196 -19.354 7.894 1.00 0.00 H new ATOM 187 N PRO A 13 -4.668 -21.063 9.285 1.00 0.00 N ATOM 188 CA PRO A 13 -3.967 -22.351 9.368 1.00 0.00 C ATOM 189 C PRO A 13 -4.806 -23.469 10.023 1.00 0.00 C ATOM 190 O PRO A 13 -4.310 -24.247 10.838 1.00 0.00 O ATOM 191 CB PRO A 13 -2.700 -22.035 10.161 1.00 0.00 C ATOM 192 CG PRO A 13 -3.210 -20.999 11.164 1.00 0.00 C ATOM 193 CD PRO A 13 -4.159 -20.168 10.315 1.00 0.00 C ATOM 0 HA PRO A 13 -3.753 -22.753 8.377 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.296 -22.918 10.655 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.909 -21.635 9.526 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.720 -21.465 12.007 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.399 -20.398 11.575 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.973 -19.767 10.919 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.642 -19.317 9.871 1.00 0.00 H new ATOM 201 N LYS A 14 -6.094 -23.534 9.681 1.00 0.00 N ATOM 202 CA LYS A 14 -7.008 -24.625 10.039 1.00 0.00 C ATOM 203 C LYS A 14 -7.660 -25.242 8.788 1.00 0.00 C ATOM 204 O LYS A 14 -6.967 -25.748 7.913 1.00 0.00 O ATOM 205 CB LYS A 14 -8.000 -24.143 11.103 1.00 0.00 C ATOM 206 CG LYS A 14 -7.373 -23.853 12.474 1.00 0.00 C ATOM 207 CD LYS A 14 -8.395 -23.877 13.628 1.00 0.00 C ATOM 208 CE LYS A 14 -9.501 -22.808 13.589 1.00 0.00 C ATOM 209 NZ LYS A 14 -10.623 -23.152 12.679 1.00 0.00 N ATOM 0 H LYS A 14 -6.546 -22.805 9.129 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.449 -25.445 10.491 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.489 -23.238 10.742 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.777 -24.898 11.225 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.594 -24.589 12.673 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.890 -22.876 12.446 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.870 -24.858 13.643 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.852 -23.771 14.567 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.891 -22.663 14.596 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.067 -21.858 13.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.493 -22.688 13.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.401 -22.827 11.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.762 -24.183 12.673 1.00 0.00 H new ATOM 223 N GLU A 15 -8.985 -25.200 8.666 1.00 0.00 N ATOM 224 CA GLU A 15 -9.782 -25.850 7.615 1.00 0.00 C ATOM 225 C GLU A 15 -9.427 -25.475 6.160 1.00 0.00 C ATOM 226 O GLU A 15 -9.324 -26.386 5.335 1.00 0.00 O ATOM 227 CB GLU A 15 -11.289 -25.575 7.823 1.00 0.00 C ATOM 228 CG GLU A 15 -11.867 -25.916 9.207 1.00 0.00 C ATOM 229 CD GLU A 15 -11.520 -24.915 10.324 1.00 0.00 C ATOM 230 OE1 GLU A 15 -10.946 -23.826 10.070 1.00 0.00 O ATOM 231 OE2 GLU A 15 -11.753 -25.238 11.509 1.00 0.00 O ATOM 0 H GLU A 15 -9.566 -24.687 9.329 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.534 -26.905 7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.472 -24.518 7.628 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.845 -26.139 7.074 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.952 -25.983 9.124 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.508 -26.903 9.500 1.00 0.00 H new ATOM 238 N PRO A 16 -9.240 -24.185 5.795 1.00 0.00 N ATOM 239 CA PRO A 16 -9.135 -23.755 4.398 1.00 0.00 C ATOM 240 C PRO A 16 -7.727 -23.961 3.806 1.00 0.00 C ATOM 241 O PRO A 16 -7.276 -23.145 3.007 1.00 0.00 O ATOM 242 CB PRO A 16 -9.570 -22.281 4.431 1.00 0.00 C ATOM 243 CG PRO A 16 -8.997 -21.799 5.756 1.00 0.00 C ATOM 244 CD PRO A 16 -9.218 -23.007 6.662 1.00 0.00 C ATOM 0 HA PRO A 16 -9.762 -24.352 3.735 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.168 -21.720 3.587 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.654 -22.177 4.396 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.941 -21.540 5.673 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.514 -20.913 6.125 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.422 -23.086 7.402 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.155 -22.913 7.211 1.00 0.00 H new ATOM 252 N PHE A 17 -6.992 -25.015 4.192 1.00 0.00 N ATOM 253 CA PHE A 17 -5.567 -25.168 3.849 1.00 0.00 C ATOM 254 C PHE A 17 -5.273 -24.927 2.358 1.00 0.00 C ATOM 255 O PHE A 17 -4.486 -24.041 2.054 1.00 0.00 O ATOM 256 CB PHE A 17 -5.003 -26.522 4.337 1.00 0.00 C ATOM 257 CG PHE A 17 -3.953 -26.464 5.448 1.00 0.00 C ATOM 258 CD1 PHE A 17 -4.084 -25.569 6.530 1.00 0.00 C ATOM 259 CD2 PHE A 17 -2.838 -27.333 5.417 1.00 0.00 C ATOM 260 CE1 PHE A 17 -3.099 -25.518 7.531 1.00 0.00 C ATOM 261 CE2 PHE A 17 -1.835 -27.257 6.406 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.972 -26.344 7.461 1.00 0.00 C ATOM 0 H PHE A 17 -7.366 -25.784 4.749 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.041 -24.380 4.388 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.836 -27.132 4.686 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.566 -27.038 3.482 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.945 -24.920 6.590 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.753 -28.064 4.626 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.213 -24.836 8.361 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.967 -27.898 6.351 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.207 -26.278 8.220 1.00 0.00 H new ATOM 272 N ARG A 18 -5.927 -25.624 1.412 1.00 0.00 N ATOM 273 CA ARG A 18 -5.711 -25.433 -0.030 1.00 0.00 C ATOM 274 C ARG A 18 -6.204 -24.062 -0.522 1.00 0.00 C ATOM 275 O ARG A 18 -5.577 -23.425 -1.364 1.00 0.00 O ATOM 276 CB ARG A 18 -6.260 -26.648 -0.796 1.00 0.00 C ATOM 277 CG ARG A 18 -7.780 -26.744 -0.996 1.00 0.00 C ATOM 278 CD ARG A 18 -8.258 -25.706 -2.022 1.00 0.00 C ATOM 279 NE ARG A 18 -9.229 -26.244 -2.984 1.00 0.00 N ATOM 280 CZ ARG A 18 -10.500 -26.526 -2.758 1.00 0.00 C ATOM 281 NH1 ARG A 18 -11.123 -26.313 -1.637 1.00 0.00 N ATOM 282 NH2 ARG A 18 -11.184 -27.112 -3.697 1.00 0.00 N ATOM 0 H ARG A 18 -6.623 -26.338 1.629 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.642 -25.396 -0.241 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.792 -26.663 -1.780 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.934 -27.548 -0.274 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.045 -27.746 -1.334 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.288 -26.584 -0.045 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.708 -24.865 -1.495 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.396 -25.318 -2.565 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.885 -26.419 -3.928 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.627 -25.898 -0.849 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.108 -26.561 -1.546 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.737 -27.344 -4.584 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.167 -27.340 -3.546 1.00 0.00 H new ATOM 296 N ASP A 19 -7.319 -23.627 0.061 1.00 0.00 N ATOM 297 CA ASP A 19 -8.068 -22.388 -0.237 1.00 0.00 C ATOM 298 C ASP A 19 -7.355 -21.112 0.230 1.00 0.00 C ATOM 299 O ASP A 19 -7.778 -19.993 -0.065 1.00 0.00 O ATOM 300 CB ASP A 19 -9.443 -22.466 0.446 1.00 0.00 C ATOM 301 CG ASP A 19 -10.200 -23.727 0.055 1.00 0.00 C ATOM 302 OD1 ASP A 19 -9.945 -24.802 0.642 1.00 0.00 O ATOM 303 OD2 ASP A 19 -10.926 -23.695 -0.955 1.00 0.00 O ATOM 0 H ASP A 19 -7.762 -24.162 0.808 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.156 -22.322 -1.321 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.313 -22.441 1.528 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.033 -21.590 0.176 1.00 0.00 H new ATOM 308 N TYR A 20 -6.259 -21.295 0.960 1.00 0.00 N ATOM 309 CA TYR A 20 -5.441 -20.237 1.555 1.00 0.00 C ATOM 310 C TYR A 20 -3.954 -20.419 1.227 1.00 0.00 C ATOM 311 O TYR A 20 -3.275 -19.433 0.964 1.00 0.00 O ATOM 312 CB TYR A 20 -5.713 -20.167 3.067 1.00 0.00 C ATOM 313 CG TYR A 20 -4.817 -19.232 3.868 1.00 0.00 C ATOM 314 CD1 TYR A 20 -4.441 -17.963 3.378 1.00 0.00 C ATOM 315 CD2 TYR A 20 -4.314 -19.673 5.106 1.00 0.00 C ATOM 316 CE1 TYR A 20 -3.504 -17.181 4.080 1.00 0.00 C ATOM 317 CE2 TYR A 20 -3.381 -18.892 5.811 1.00 0.00 C ATOM 318 CZ TYR A 20 -2.950 -17.662 5.283 1.00 0.00 C ATOM 319 OH TYR A 20 -2.032 -16.935 5.967 1.00 0.00 O ATOM 0 H TYR A 20 -5.898 -22.227 1.164 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.723 -19.279 1.118 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.748 -19.860 3.215 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.616 -21.171 3.480 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.874 -17.590 2.461 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.646 -20.615 5.516 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.211 -16.215 3.697 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.995 -19.237 6.759 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.191 -15.980 5.814 1.00 0.00 H new ATOM 329 N VAL A 21 -3.447 -21.653 1.130 1.00 0.00 N ATOM 330 CA VAL A 21 -2.071 -21.936 0.685 1.00 0.00 C ATOM 331 C VAL A 21 -1.792 -21.467 -0.727 1.00 0.00 C ATOM 332 O VAL A 21 -0.706 -20.962 -0.972 1.00 0.00 O ATOM 333 CB VAL A 21 -1.717 -23.424 0.798 1.00 0.00 C ATOM 334 CG1 VAL A 21 -2.357 -24.323 -0.257 1.00 0.00 C ATOM 335 CG2 VAL A 21 -0.214 -23.603 0.717 1.00 0.00 C ATOM 0 H VAL A 21 -3.981 -22.492 1.359 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.438 -21.365 1.364 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.120 -23.734 1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.046 -25.355 -0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.442 -24.255 -0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.040 -24.002 -1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.031 -24.662 0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.147 -23.219 -0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.262 -23.057 1.532 1.00 0.00 H new ATOM 345 N ASP A 22 -2.772 -21.582 -1.624 1.00 0.00 N ATOM 346 CA ASP A 22 -2.721 -20.981 -2.956 1.00 0.00 C ATOM 347 C ASP A 22 -2.396 -19.496 -2.865 1.00 0.00 C ATOM 348 O ASP A 22 -1.396 -18.981 -3.365 1.00 0.00 O ATOM 349 CB ASP A 22 -4.113 -21.181 -3.554 1.00 0.00 C ATOM 350 CG ASP A 22 -4.274 -20.684 -4.994 1.00 0.00 C ATOM 351 OD1 ASP A 22 -3.897 -21.422 -5.925 1.00 0.00 O ATOM 352 OD2 ASP A 22 -4.789 -19.549 -5.131 1.00 0.00 O ATOM 0 H ASP A 22 -3.632 -22.100 -1.444 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.946 -21.440 -3.569 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.357 -22.243 -3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.840 -20.668 -2.925 1.00 0.00 H new ATOM 357 N ARG A 23 -3.261 -18.840 -2.102 1.00 0.00 N ATOM 358 CA ARG A 23 -3.261 -17.389 -1.870 1.00 0.00 C ATOM 359 C ARG A 23 -2.088 -16.890 -1.027 1.00 0.00 C ATOM 360 O ARG A 23 -1.754 -15.708 -1.118 1.00 0.00 O ATOM 361 CB ARG A 23 -4.599 -16.905 -1.264 1.00 0.00 C ATOM 362 CG ARG A 23 -5.831 -17.780 -1.500 1.00 0.00 C ATOM 363 CD ARG A 23 -6.082 -18.042 -2.978 1.00 0.00 C ATOM 364 NE ARG A 23 -7.299 -17.394 -3.455 1.00 0.00 N ATOM 365 CZ ARG A 23 -7.774 -17.577 -4.679 1.00 0.00 C ATOM 366 NH1 ARG A 23 -7.106 -18.233 -5.582 1.00 0.00 N ATOM 367 NH2 ARG A 23 -8.915 -17.082 -5.070 1.00 0.00 N ATOM 0 H ARG A 23 -4.014 -19.317 -1.605 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.138 -16.950 -2.860 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.463 -16.797 -0.188 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.809 -15.912 -1.660 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.703 -18.730 -0.982 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.706 -17.296 -1.066 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.231 -17.685 -3.558 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.154 -19.116 -3.147 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.805 -16.775 -2.821 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.191 -18.623 -5.356 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.497 -18.358 -6.516 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.479 -16.530 -4.424 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.243 -17.247 -6.021 1.00 0.00 H new ATOM 381 N PHE A 24 -1.457 -17.770 -0.252 1.00 0.00 N ATOM 382 CA PHE A 24 -0.179 -17.525 0.396 1.00 0.00 C ATOM 383 C PHE A 24 0.952 -17.639 -0.646 1.00 0.00 C ATOM 384 O PHE A 24 1.617 -16.642 -0.965 1.00 0.00 O ATOM 385 CB PHE A 24 -0.023 -18.531 1.555 1.00 0.00 C ATOM 386 CG PHE A 24 1.210 -18.273 2.389 1.00 0.00 C ATOM 387 CD1 PHE A 24 2.482 -18.568 1.873 1.00 0.00 C ATOM 388 CD2 PHE A 24 1.098 -17.695 3.666 1.00 0.00 C ATOM 389 CE1 PHE A 24 3.626 -18.155 2.561 1.00 0.00 C ATOM 390 CE2 PHE A 24 2.255 -17.293 4.357 1.00 0.00 C ATOM 391 CZ PHE A 24 3.526 -17.469 3.775 1.00 0.00 C ATOM 0 H PHE A 24 -1.834 -18.697 -0.055 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.129 -16.519 0.812 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.905 -18.483 2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.022 -19.542 1.150 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.576 -19.113 0.946 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.125 -17.560 4.115 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.601 -18.369 2.149 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.169 -16.848 5.337 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.409 -17.080 4.259 1.00 0.00 H new ATOM 401 N TYR A 25 1.152 -18.841 -1.208 1.00 0.00 N ATOM 402 CA TYR A 25 2.297 -19.150 -2.068 1.00 0.00 C ATOM 403 C TYR A 25 2.334 -18.287 -3.336 1.00 0.00 C ATOM 404 O TYR A 25 3.437 -17.951 -3.763 1.00 0.00 O ATOM 405 CB TYR A 25 2.412 -20.651 -2.379 1.00 0.00 C ATOM 406 CG TYR A 25 3.149 -21.494 -1.339 1.00 0.00 C ATOM 407 CD1 TYR A 25 2.528 -21.842 -0.126 1.00 0.00 C ATOM 408 CD2 TYR A 25 4.437 -22.003 -1.614 1.00 0.00 C ATOM 409 CE1 TYR A 25 3.130 -22.776 0.745 1.00 0.00 C ATOM 410 CE2 TYR A 25 5.044 -22.943 -0.748 1.00 0.00 C ATOM 411 CZ TYR A 25 4.367 -23.368 0.417 1.00 0.00 C ATOM 412 OH TYR A 25 4.838 -24.380 1.202 1.00 0.00 O ATOM 0 H TYR A 25 0.518 -19.629 -1.076 1.00 0.00 H new ATOM 0 HA TYR A 25 3.185 -18.886 -1.493 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.407 -21.055 -2.500 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.919 -20.766 -3.337 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.584 -21.391 0.141 1.00 0.00 H new ATOM 0 HD2 TYR A 25 4.965 -21.671 -2.496 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.639 -23.039 1.670 1.00 0.00 H new ATOM 0 HE2 TYR A 25 6.024 -23.335 -0.977 1.00 0.00 H new ATOM 0 HH TYR A 25 5.700 -24.690 0.854 1.00 0.00 H new ATOM 422 N LYS A 26 1.184 -17.818 -3.860 1.00 0.00 N ATOM 423 CA LYS A 26 1.090 -16.834 -4.965 1.00 0.00 C ATOM 424 C LYS A 26 1.930 -15.563 -4.745 1.00 0.00 C ATOM 425 O LYS A 26 2.277 -14.896 -5.727 1.00 0.00 O ATOM 426 CB LYS A 26 -0.396 -16.513 -5.282 1.00 0.00 C ATOM 427 CG LYS A 26 -1.121 -15.577 -4.311 1.00 0.00 C ATOM 428 CD LYS A 26 -0.883 -14.069 -4.459 1.00 0.00 C ATOM 429 CE LYS A 26 -1.800 -13.332 -3.472 1.00 0.00 C ATOM 430 NZ LYS A 26 -1.193 -12.061 -3.022 1.00 0.00 N ATOM 0 H LYS A 26 0.270 -18.118 -3.520 1.00 0.00 H new ATOM 0 HA LYS A 26 1.535 -17.306 -5.841 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.444 -16.073 -6.278 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.946 -17.453 -5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.191 -15.758 -4.408 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.840 -15.863 -3.297 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.161 -13.829 -4.258 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.092 -13.751 -5.480 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.761 -13.131 -3.946 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.997 -13.969 -2.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.919 -11.471 -2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.434 -12.261 -2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.798 -11.556 -3.841 1.00 0.00 H new ATOM 444 N THR A 27 2.236 -15.240 -3.481 1.00 0.00 N ATOM 445 CA THR A 27 2.982 -14.075 -3.012 1.00 0.00 C ATOM 446 C THR A 27 4.375 -14.461 -2.522 1.00 0.00 C ATOM 447 O THR A 27 5.353 -13.955 -3.072 1.00 0.00 O ATOM 448 CB THR A 27 2.198 -13.338 -1.895 1.00 0.00 C ATOM 449 OG1 THR A 27 0.827 -13.684 -1.807 1.00 0.00 O ATOM 450 CG2 THR A 27 2.136 -11.874 -2.266 1.00 0.00 C ATOM 0 H THR A 27 1.944 -15.834 -2.705 1.00 0.00 H new ATOM 0 HA THR A 27 3.104 -13.399 -3.858 1.00 0.00 H new ATOM 0 HB THR A 27 2.714 -13.593 -0.969 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.743 -14.624 -1.544 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.589 -11.327 -1.498 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.147 -11.475 -2.345 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.626 -11.762 -3.223 1.00 0.00 H new ATOM 458 N LEU A 28 4.477 -15.472 -1.641 1.00 0.00 N ATOM 459 CA LEU A 28 5.765 -16.016 -1.147 1.00 0.00 C ATOM 460 C LEU A 28 6.755 -16.254 -2.306 1.00 0.00 C ATOM 461 O LEU A 28 7.914 -15.840 -2.239 1.00 0.00 O ATOM 462 CB LEU A 28 5.535 -17.273 -0.264 1.00 0.00 C ATOM 463 CG LEU A 28 6.794 -18.174 -0.078 1.00 0.00 C ATOM 464 CD1 LEU A 28 7.181 -18.444 1.372 1.00 0.00 C ATOM 465 CD2 LEU A 28 6.589 -19.516 -0.773 1.00 0.00 C ATOM 0 H LEU A 28 3.663 -15.942 -1.245 1.00 0.00 H new ATOM 0 HA LEU A 28 6.233 -15.271 -0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.185 -16.953 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.738 -17.871 -0.707 1.00 0.00 H new ATOM 0 HG LEU A 28 7.610 -17.606 -0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.067 -19.079 1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.395 -17.500 1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.358 -18.947 1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.475 -20.136 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.723 -20.020 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.422 -19.353 -1.838 1.00 0.00 H new ATOM 477 N ARG A 29 6.276 -16.848 -3.403 1.00 0.00 N ATOM 478 CA ARG A 29 7.059 -17.106 -4.632 1.00 0.00 C ATOM 479 C ARG A 29 7.728 -15.887 -5.299 1.00 0.00 C ATOM 480 O ARG A 29 8.458 -16.086 -6.262 1.00 0.00 O ATOM 481 CB ARG A 29 6.211 -17.914 -5.629 1.00 0.00 C ATOM 482 CG ARG A 29 4.993 -17.168 -6.203 1.00 0.00 C ATOM 483 CD ARG A 29 5.248 -16.325 -7.458 1.00 0.00 C ATOM 484 NE ARG A 29 3.990 -15.662 -7.851 1.00 0.00 N ATOM 485 CZ ARG A 29 3.171 -15.992 -8.833 1.00 0.00 C ATOM 486 NH1 ARG A 29 3.493 -16.838 -9.773 1.00 0.00 N ATOM 487 NH2 ARG A 29 1.975 -15.480 -8.861 1.00 0.00 N ATOM 0 H ARG A 29 5.312 -17.173 -3.471 1.00 0.00 H new ATOM 0 HA ARG A 29 7.918 -17.690 -4.300 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.849 -18.226 -6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.863 -18.821 -5.135 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.219 -17.900 -6.433 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.593 -16.515 -5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.021 -15.582 -7.262 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.611 -16.956 -8.269 1.00 0.00 H new ATOM 0 HE ARG A 29 3.720 -14.850 -7.297 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.414 -17.277 -9.770 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.824 -17.060 -10.510 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.680 -14.832 -8.130 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.332 -15.726 -9.614 1.00 0.00 H new ATOM 501 N ALA A 30 7.483 -14.661 -4.834 1.00 0.00 N ATOM 502 CA ALA A 30 8.038 -13.410 -5.366 1.00 0.00 C ATOM 503 C ALA A 30 8.683 -12.492 -4.298 1.00 0.00 C ATOM 504 O ALA A 30 9.389 -11.558 -4.663 1.00 0.00 O ATOM 505 CB ALA A 30 6.919 -12.678 -6.119 1.00 0.00 C ATOM 0 H ALA A 30 6.864 -14.503 -4.039 1.00 0.00 H new ATOM 0 HA ALA A 30 8.860 -13.669 -6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.305 -11.743 -6.525 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.557 -13.306 -6.933 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.099 -12.464 -5.434 1.00 0.00 H new ATOM 511 N GLU A 31 8.496 -12.771 -3.002 1.00 0.00 N ATOM 512 CA GLU A 31 8.998 -11.924 -1.895 1.00 0.00 C ATOM 513 C GLU A 31 9.822 -12.701 -0.846 1.00 0.00 C ATOM 514 O GLU A 31 10.613 -12.119 -0.110 1.00 0.00 O ATOM 515 CB GLU A 31 7.805 -11.168 -1.284 1.00 0.00 C ATOM 516 CG GLU A 31 6.863 -12.081 -0.479 1.00 0.00 C ATOM 517 CD GLU A 31 5.382 -11.676 -0.524 1.00 0.00 C ATOM 518 OE1 GLU A 31 5.024 -10.568 -0.987 1.00 0.00 O ATOM 519 OE2 GLU A 31 4.571 -12.551 -0.147 1.00 0.00 O ATOM 0 H GLU A 31 7.989 -13.596 -2.682 1.00 0.00 H new ATOM 0 HA GLU A 31 9.711 -11.206 -2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.178 -10.376 -0.634 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.240 -10.686 -2.082 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.958 -13.100 -0.854 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.191 -12.092 0.560 1.00 0.00 H new ATOM 526 N GLN A 32 9.713 -14.033 -0.856 1.00 0.00 N ATOM 527 CA GLN A 32 10.458 -14.992 -0.030 1.00 0.00 C ATOM 528 C GLN A 32 11.148 -16.075 -0.897 1.00 0.00 C ATOM 529 O GLN A 32 12.062 -16.756 -0.434 1.00 0.00 O ATOM 530 CB GLN A 32 9.467 -15.651 0.949 1.00 0.00 C ATOM 531 CG GLN A 32 8.864 -14.717 2.024 1.00 0.00 C ATOM 532 CD GLN A 32 9.249 -15.080 3.458 1.00 0.00 C ATOM 533 OE1 GLN A 32 10.272 -15.690 3.725 1.00 0.00 O ATOM 534 NE2 GLN A 32 8.406 -14.743 4.411 1.00 0.00 N ATOM 0 H GLN A 32 9.059 -14.502 -1.482 1.00 0.00 H new ATOM 0 HA GLN A 32 11.243 -14.465 0.512 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.650 -16.086 0.373 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.975 -16.474 1.452 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.184 -13.695 1.822 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.778 -14.734 1.936 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.553 -14.233 4.181 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.606 -14.992 5.380 1.00 0.00 H new ATOM 543 N ALA A 33 10.699 -16.262 -2.149 1.00 0.00 N ATOM 544 CA ALA A 33 11.157 -17.199 -3.194 1.00 0.00 C ATOM 545 C ALA A 33 11.264 -18.708 -2.843 1.00 0.00 C ATOM 546 O ALA A 33 11.479 -19.523 -3.739 1.00 0.00 O ATOM 547 CB ALA A 33 12.454 -16.642 -3.798 1.00 0.00 C ATOM 0 H ALA A 33 9.921 -15.700 -2.493 1.00 0.00 H new ATOM 0 HA ALA A 33 10.345 -17.234 -3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.813 -17.318 -4.574 1.00 0.00 H new ATOM 0 HB2 ALA A 33 12.261 -15.661 -4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 33 13.209 -16.552 -3.017 1.00 0.00 H new ATOM 553 N SER A 34 11.074 -19.084 -1.577 1.00 0.00 N ATOM 554 CA SER A 34 11.331 -20.403 -0.971 1.00 0.00 C ATOM 555 C SER A 34 10.275 -21.469 -1.311 1.00 0.00 C ATOM 556 O SER A 34 9.597 -22.011 -0.442 1.00 0.00 O ATOM 557 CB SER A 34 11.488 -20.224 0.544 1.00 0.00 C ATOM 558 OG SER A 34 12.552 -19.325 0.823 1.00 0.00 O ATOM 0 H SER A 34 10.707 -18.426 -0.890 1.00 0.00 H new ATOM 0 HA SER A 34 12.253 -20.791 -1.404 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.560 -19.844 0.971 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.684 -21.188 1.013 1.00 0.00 H new ATOM 0 HG SER A 34 12.337 -18.441 0.459 1.00 0.00 H new ATOM 564 N GLN A 35 10.090 -21.721 -2.606 1.00 0.00 N ATOM 565 CA GLN A 35 9.128 -22.651 -3.211 1.00 0.00 C ATOM 566 C GLN A 35 9.502 -24.141 -2.983 1.00 0.00 C ATOM 567 O GLN A 35 9.655 -24.903 -3.936 1.00 0.00 O ATOM 568 CB GLN A 35 9.008 -22.221 -4.696 1.00 0.00 C ATOM 569 CG GLN A 35 8.045 -23.009 -5.600 1.00 0.00 C ATOM 570 CD GLN A 35 6.777 -23.439 -4.879 1.00 0.00 C ATOM 571 OE1 GLN A 35 6.749 -24.644 -4.359 1.00 0.00 O flip ATOM 572 NE2 GLN A 35 5.823 -22.693 -4.733 1.00 0.00 N flip ATOM 0 H GLN A 35 10.649 -21.247 -3.316 1.00 0.00 H new ATOM 0 HA GLN A 35 8.150 -22.593 -2.734 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.705 -21.174 -4.717 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.002 -22.274 -5.140 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.778 -22.395 -6.460 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.556 -23.892 -5.985 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.842 -21.756 -5.136 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.006 -23.006 -4.208 1.00 0.00 H new ATOM 581 N GLU A 36 9.631 -24.584 -1.728 1.00 0.00 N ATOM 582 CA GLU A 36 10.240 -25.885 -1.392 1.00 0.00 C ATOM 583 C GLU A 36 9.653 -26.591 -0.146 1.00 0.00 C ATOM 584 O GLU A 36 8.904 -26.004 0.634 1.00 0.00 O ATOM 585 CB GLU A 36 11.732 -25.589 -1.168 1.00 0.00 C ATOM 586 CG GLU A 36 12.659 -26.788 -1.364 1.00 0.00 C ATOM 587 CD GLU A 36 14.054 -26.398 -0.904 1.00 0.00 C ATOM 588 OE1 GLU A 36 14.270 -26.520 0.320 1.00 0.00 O ATOM 589 OE2 GLU A 36 14.859 -25.964 -1.750 1.00 0.00 O ATOM 0 H GLU A 36 9.318 -24.055 -0.914 1.00 0.00 H new ATOM 0 HA GLU A 36 10.039 -26.581 -2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.037 -24.796 -1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.864 -25.207 -0.156 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.297 -27.644 -0.794 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.675 -27.087 -2.412 1.00 0.00 H new ATOM 596 N VAL A 37 10.042 -27.858 0.070 1.00 0.00 N ATOM 597 CA VAL A 37 9.804 -28.646 1.294 1.00 0.00 C ATOM 598 C VAL A 37 10.370 -27.934 2.537 1.00 0.00 C ATOM 599 O VAL A 37 9.806 -28.082 3.619 1.00 0.00 O ATOM 600 CB VAL A 37 10.385 -30.068 1.131 1.00 0.00 C ATOM 601 CG1 VAL A 37 10.117 -30.992 2.331 1.00 0.00 C ATOM 602 CG2 VAL A 37 9.801 -30.773 -0.103 1.00 0.00 C ATOM 0 H VAL A 37 10.555 -28.387 -0.636 1.00 0.00 H new ATOM 0 HA VAL A 37 8.728 -28.736 1.446 1.00 0.00 H new ATOM 0 HB VAL A 37 11.459 -29.908 1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.556 -31.972 2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.563 -30.562 3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.042 -31.098 2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.230 -31.771 -0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.719 -30.851 0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.039 -30.197 -0.998 1.00 0.00 H new ATOM 612 N LYS A 38 11.418 -27.095 2.423 1.00 0.00 N ATOM 613 CA LYS A 38 11.869 -26.158 3.459 1.00 0.00 C ATOM 614 C LYS A 38 10.875 -24.992 3.685 1.00 0.00 C ATOM 615 O LYS A 38 11.239 -23.827 3.789 1.00 0.00 O ATOM 616 CB LYS A 38 13.304 -25.746 3.099 1.00 0.00 C ATOM 617 CG LYS A 38 14.197 -25.462 4.300 1.00 0.00 C ATOM 618 CD LYS A 38 13.752 -24.239 5.103 1.00 0.00 C ATOM 619 CE LYS A 38 14.685 -23.791 6.219 1.00 0.00 C ATOM 620 NZ LYS A 38 14.080 -22.614 6.883 1.00 0.00 N ATOM 0 H LYS A 38 11.989 -27.053 1.579 1.00 0.00 H new ATOM 0 HA LYS A 38 11.887 -26.631 4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 38 13.758 -26.538 2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.267 -24.856 2.471 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.206 -26.335 4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.220 -25.311 3.957 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.619 -23.406 4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.775 -24.452 5.538 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.834 -24.598 6.937 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.666 -23.538 5.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.312 -22.630 7.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.456 -21.743 6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.047 -22.641 6.763 1.00 0.00 H new ATOM 634 N ASN A 39 9.592 -25.329 3.747 1.00 0.00 N ATOM 635 CA ASN A 39 8.488 -24.510 4.234 1.00 0.00 C ATOM 636 C ASN A 39 8.648 -24.283 5.760 1.00 0.00 C ATOM 637 O ASN A 39 8.161 -23.301 6.305 1.00 0.00 O ATOM 638 CB ASN A 39 7.202 -25.232 3.765 1.00 0.00 C ATOM 639 CG ASN A 39 5.958 -25.102 4.629 1.00 0.00 C ATOM 640 OD1 ASN A 39 5.953 -25.428 5.800 1.00 0.00 O ATOM 641 ND2 ASN A 39 4.829 -24.785 4.046 1.00 0.00 N ATOM 0 H ASN A 39 9.273 -26.247 3.436 1.00 0.00 H new ATOM 0 HA ASN A 39 8.454 -23.496 3.835 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.957 -24.865 2.768 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.431 -26.293 3.666 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.957 -24.813 4.574 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.822 -24.510 3.064 1.00 0.00 H new ATOM 648 N ALA A 40 9.436 -25.127 6.436 1.00 0.00 N ATOM 649 CA ALA A 40 9.881 -24.902 7.806 1.00 0.00 C ATOM 650 C ALA A 40 10.507 -23.497 8.009 1.00 0.00 C ATOM 651 O ALA A 40 11.358 -23.059 7.223 1.00 0.00 O ATOM 652 CB ALA A 40 10.871 -26.024 8.152 1.00 0.00 C ATOM 0 H ALA A 40 9.785 -25.998 6.036 1.00 0.00 H new ATOM 0 HA ALA A 40 9.024 -24.926 8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.229 -25.891 9.173 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.372 -26.989 8.065 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.716 -25.989 7.464 1.00 0.00 H new ATOM 658 N MET A 41 10.173 -22.846 9.127 1.00 0.00 N ATOM 659 CA MET A 41 10.735 -21.590 9.656 1.00 0.00 C ATOM 660 C MET A 41 10.267 -20.281 8.976 1.00 0.00 C ATOM 661 O MET A 41 10.958 -19.271 9.104 1.00 0.00 O ATOM 662 CB MET A 41 12.272 -21.648 9.791 1.00 0.00 C ATOM 663 CG MET A 41 12.826 -22.928 10.432 1.00 0.00 C ATOM 664 SD MET A 41 14.590 -23.198 10.098 1.00 0.00 S ATOM 665 CE MET A 41 14.808 -24.715 11.067 1.00 0.00 C ATOM 0 H MET A 41 9.443 -23.210 9.739 1.00 0.00 H new ATOM 0 HA MET A 41 10.298 -21.529 10.653 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.712 -21.538 8.800 1.00 0.00 H new ATOM 0 HB3 MET A 41 12.601 -20.793 10.382 1.00 0.00 H new ATOM 0 HG2 MET A 41 12.671 -22.882 11.510 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.259 -23.784 10.065 1.00 0.00 H new ATOM 0 HE1 MET A 41 15.843 -25.050 10.991 1.00 0.00 H new ATOM 0 HE2 MET A 41 14.566 -24.518 12.111 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.147 -25.491 10.682 1.00 0.00 H new ATOM 675 N THR A 42 9.114 -20.264 8.294 1.00 0.00 N ATOM 676 CA THR A 42 8.439 -19.034 7.807 1.00 0.00 C ATOM 677 C THR A 42 6.932 -19.053 8.083 1.00 0.00 C ATOM 678 O THR A 42 6.330 -20.070 8.419 1.00 0.00 O ATOM 679 CB THR A 42 8.689 -18.723 6.304 1.00 0.00 C ATOM 680 OG1 THR A 42 8.755 -19.865 5.490 1.00 0.00 O ATOM 681 CG2 THR A 42 10.051 -18.065 6.113 1.00 0.00 C ATOM 0 H THR A 42 8.607 -21.117 8.056 1.00 0.00 H new ATOM 0 HA THR A 42 8.901 -18.231 8.382 1.00 0.00 H new ATOM 0 HB THR A 42 7.845 -18.093 6.021 1.00 0.00 H new ATOM 0 HG1 THR A 42 8.912 -19.596 4.561 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.208 -17.855 5.055 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.087 -17.133 6.677 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.832 -18.736 6.470 1.00 0.00 H new ATOM 689 N GLU A 43 6.305 -17.894 7.899 1.00 0.00 N ATOM 690 CA GLU A 43 4.855 -17.635 7.870 1.00 0.00 C ATOM 691 C GLU A 43 4.053 -18.514 6.893 1.00 0.00 C ATOM 692 O GLU A 43 2.835 -18.491 6.922 1.00 0.00 O ATOM 693 CB GLU A 43 4.585 -16.146 7.555 1.00 0.00 C ATOM 694 CG GLU A 43 5.500 -15.532 6.484 1.00 0.00 C ATOM 695 CD GLU A 43 6.768 -14.917 7.098 1.00 0.00 C ATOM 696 OE1 GLU A 43 6.738 -13.732 7.482 1.00 0.00 O ATOM 697 OE2 GLU A 43 7.777 -15.658 7.148 1.00 0.00 O ATOM 0 H GLU A 43 6.836 -17.036 7.754 1.00 0.00 H new ATOM 0 HA GLU A 43 4.503 -17.899 8.867 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.550 -16.041 7.230 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.691 -15.571 8.475 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.781 -16.300 5.763 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.953 -14.765 5.936 1.00 0.00 H new ATOM 704 N THR A 44 4.699 -19.290 6.031 1.00 0.00 N ATOM 705 CA THR A 44 4.171 -20.254 5.028 1.00 0.00 C ATOM 706 C THR A 44 3.357 -21.438 5.557 1.00 0.00 C ATOM 707 O THR A 44 3.279 -22.477 4.906 1.00 0.00 O ATOM 708 CB THR A 44 5.332 -20.688 4.126 1.00 0.00 C ATOM 709 OG1 THR A 44 4.879 -21.378 2.991 1.00 0.00 O ATOM 710 CG2 THR A 44 6.310 -21.589 4.850 1.00 0.00 C ATOM 0 H THR A 44 5.718 -19.269 6.001 1.00 0.00 H new ATOM 0 HA THR A 44 3.409 -19.718 4.462 1.00 0.00 H new ATOM 0 HB THR A 44 5.831 -19.765 3.830 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.147 -21.978 3.244 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.115 -21.871 4.172 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.726 -21.060 5.707 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.794 -22.486 5.193 1.00 0.00 H new ATOM 718 N LEU A 45 2.711 -21.236 6.701 1.00 0.00 N ATOM 719 CA LEU A 45 2.027 -22.136 7.638 1.00 0.00 C ATOM 720 C LEU A 45 0.952 -23.147 7.133 1.00 0.00 C ATOM 721 O LEU A 45 0.008 -23.456 7.857 1.00 0.00 O ATOM 722 CB LEU A 45 1.594 -21.304 8.866 1.00 0.00 C ATOM 723 CG LEU A 45 0.803 -19.997 8.673 1.00 0.00 C ATOM 724 CD1 LEU A 45 -0.109 -19.884 7.443 1.00 0.00 C ATOM 725 CD2 LEU A 45 0.091 -19.589 9.956 1.00 0.00 C ATOM 0 H LEU A 45 2.643 -20.280 7.051 1.00 0.00 H new ATOM 0 HA LEU A 45 2.778 -22.886 7.887 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.994 -21.954 9.503 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.497 -21.057 9.424 1.00 0.00 H new ATOM 0 HG LEU A 45 1.584 -19.274 8.436 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.599 -18.910 7.442 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.487 -19.991 6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.863 -20.670 7.476 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.459 -18.663 9.788 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.604 -20.375 10.252 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.825 -19.437 10.747 1.00 0.00 H new ATOM 737 N LEU A 46 1.081 -23.658 5.908 1.00 0.00 N ATOM 738 CA LEU A 46 0.171 -24.549 5.171 1.00 0.00 C ATOM 739 C LEU A 46 0.930 -25.692 4.433 1.00 0.00 C ATOM 740 O LEU A 46 2.140 -25.849 4.587 1.00 0.00 O ATOM 741 CB LEU A 46 -0.627 -23.767 4.118 1.00 0.00 C ATOM 742 CG LEU A 46 -1.163 -22.335 4.280 1.00 0.00 C ATOM 743 CD1 LEU A 46 -2.082 -22.225 5.487 1.00 0.00 C ATOM 744 CD2 LEU A 46 -0.082 -21.242 4.165 1.00 0.00 C ATOM 0 H LEU A 46 1.905 -23.439 5.348 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.494 -24.982 5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.002 -23.750 3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.496 -24.384 3.887 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.791 -22.124 3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.445 -21.201 5.576 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.928 -22.901 5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.532 -22.494 6.389 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.541 -20.261 4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.671 -21.392 4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.390 -21.299 3.184 1.00 0.00 H new ATOM 756 N VAL A 47 0.235 -26.447 3.558 1.00 0.00 N ATOM 757 CA VAL A 47 0.826 -27.362 2.567 1.00 0.00 C ATOM 758 C VAL A 47 0.232 -27.066 1.205 1.00 0.00 C ATOM 759 O VAL A 47 -0.997 -27.057 1.064 1.00 0.00 O ATOM 760 CB VAL A 47 0.554 -28.865 2.779 1.00 0.00 C ATOM 761 CG1 VAL A 47 1.780 -29.583 2.226 1.00 0.00 C ATOM 762 CG2 VAL A 47 0.162 -29.273 4.196 1.00 0.00 C ATOM 0 H VAL A 47 -0.784 -26.435 3.523 1.00 0.00 H new ATOM 0 HA VAL A 47 1.897 -27.187 2.665 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.349 -29.160 2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.655 -30.659 2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.895 -29.345 1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.667 -29.259 2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.006 -30.349 4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.963 -29.008 4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.752 -28.754 4.484 1.00 0.00 H new ATOM 772 N GLN A 48 1.076 -26.842 0.198 1.00 0.00 N ATOM 773 CA GLN A 48 0.619 -26.786 -1.190 1.00 0.00 C ATOM 774 C GLN A 48 -0.207 -28.033 -1.513 1.00 0.00 C ATOM 775 O GLN A 48 0.172 -29.144 -1.156 1.00 0.00 O ATOM 776 CB GLN A 48 1.809 -26.620 -2.137 1.00 0.00 C ATOM 777 CG GLN A 48 2.364 -25.206 -1.968 1.00 0.00 C ATOM 778 CD GLN A 48 3.566 -24.959 -2.858 1.00 0.00 C ATOM 779 OE1 GLN A 48 3.465 -24.047 -3.797 1.00 0.00 O flip ATOM 780 NE2 GLN A 48 4.623 -25.546 -2.703 1.00 0.00 N flip ATOM 0 H GLN A 48 2.079 -26.697 0.317 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.024 -25.917 -1.329 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.578 -27.359 -1.913 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.499 -26.785 -3.169 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.585 -24.480 -2.201 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.645 -25.049 -0.927 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.710 -26.256 -1.976 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.420 -25.327 -3.300 1.00 0.00 H new ATOM 789 N ASN A 49 -1.369 -27.824 -2.138 1.00 0.00 N ATOM 790 CA ASN A 49 -2.406 -28.826 -2.384 1.00 0.00 C ATOM 791 C ASN A 49 -2.564 -29.915 -1.287 1.00 0.00 C ATOM 792 O ASN A 49 -2.512 -31.110 -1.563 1.00 0.00 O ATOM 793 CB ASN A 49 -2.184 -29.371 -3.793 1.00 0.00 C ATOM 794 CG ASN A 49 -3.365 -30.220 -4.208 1.00 0.00 C ATOM 795 OD1 ASN A 49 -4.496 -29.762 -4.218 1.00 0.00 O ATOM 796 ND2 ASN A 49 -3.151 -31.473 -4.502 1.00 0.00 N ATOM 0 H ASN A 49 -1.623 -26.906 -2.503 1.00 0.00 H new ATOM 0 HA ASN A 49 -3.381 -28.343 -2.321 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.053 -28.547 -4.495 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.270 -29.964 -3.823 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.934 -32.081 -4.744 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.201 -31.845 -4.490 1.00 0.00 H new ATOM 803 N ALA A 50 -2.745 -29.492 -0.031 1.00 0.00 N ATOM 804 CA ALA A 50 -2.916 -30.381 1.118 1.00 0.00 C ATOM 805 C ALA A 50 -3.932 -31.529 0.895 1.00 0.00 C ATOM 806 O ALA A 50 -5.013 -31.357 0.321 1.00 0.00 O ATOM 807 CB ALA A 50 -3.252 -29.524 2.341 1.00 0.00 C ATOM 0 H ALA A 50 -2.777 -28.503 0.217 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.976 -30.909 1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.384 -30.167 3.211 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.439 -28.823 2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.173 -28.971 2.156 1.00 0.00 H new ATOM 813 N ASN A 51 -3.604 -32.688 1.462 1.00 0.00 N ATOM 814 CA ASN A 51 -4.220 -33.997 1.207 1.00 0.00 C ATOM 815 C ASN A 51 -5.321 -34.324 2.245 1.00 0.00 C ATOM 816 O ASN A 51 -5.257 -33.752 3.336 1.00 0.00 O ATOM 817 CB ASN A 51 -3.054 -35.009 1.215 1.00 0.00 C ATOM 818 CG ASN A 51 -3.123 -36.049 0.117 1.00 0.00 C ATOM 819 OD1 ASN A 51 -3.705 -35.843 -0.932 1.00 0.00 O ATOM 820 ND2 ASN A 51 -2.547 -37.191 0.359 1.00 0.00 N ATOM 0 H ASN A 51 -2.857 -32.747 2.154 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.742 -34.024 0.250 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.115 -34.464 1.124 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.036 -35.517 2.179 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.578 -37.935 -0.338 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.065 -37.341 1.245 1.00 0.00 H new ATOM 827 N PRO A 52 -6.310 -35.208 1.967 1.00 0.00 N ATOM 828 CA PRO A 52 -7.513 -35.356 2.796 1.00 0.00 C ATOM 829 C PRO A 52 -7.242 -35.743 4.256 1.00 0.00 C ATOM 830 O PRO A 52 -7.840 -35.142 5.154 1.00 0.00 O ATOM 831 CB PRO A 52 -8.406 -36.373 2.075 1.00 0.00 C ATOM 832 CG PRO A 52 -7.438 -37.178 1.214 1.00 0.00 C ATOM 833 CD PRO A 52 -6.329 -36.183 0.883 1.00 0.00 C ATOM 0 HA PRO A 52 -8.004 -34.388 2.895 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.934 -37.011 2.783 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.163 -35.878 1.466 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.051 -38.044 1.751 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.922 -37.552 0.312 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.367 -36.688 0.799 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.518 -35.696 -0.074 1.00 0.00 H new ATOM 841 N ASP A 53 -6.310 -36.664 4.503 1.00 0.00 N ATOM 842 CA ASP A 53 -5.918 -37.096 5.849 1.00 0.00 C ATOM 843 C ASP A 53 -5.371 -35.923 6.671 1.00 0.00 C ATOM 844 O ASP A 53 -5.958 -35.514 7.676 1.00 0.00 O ATOM 845 CB ASP A 53 -4.863 -38.209 5.737 1.00 0.00 C ATOM 846 CG ASP A 53 -5.318 -39.319 4.794 1.00 0.00 C ATOM 847 OD1 ASP A 53 -5.204 -39.079 3.567 1.00 0.00 O ATOM 848 OD2 ASP A 53 -5.821 -40.340 5.302 1.00 0.00 O ATOM 0 H ASP A 53 -5.796 -37.140 3.762 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.799 -37.477 6.365 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.924 -37.787 5.378 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.667 -38.627 6.725 1.00 0.00 H new ATOM 853 N CYS A 54 -4.288 -35.297 6.203 1.00 0.00 N ATOM 854 CA CYS A 54 -3.720 -34.140 6.900 1.00 0.00 C ATOM 855 C CYS A 54 -4.676 -32.943 6.984 1.00 0.00 C ATOM 856 O CYS A 54 -4.686 -32.230 7.982 1.00 0.00 O ATOM 857 CB CYS A 54 -2.401 -33.760 6.257 1.00 0.00 C ATOM 858 SG CYS A 54 -1.070 -34.576 7.185 1.00 0.00 S ATOM 0 H CYS A 54 -3.792 -35.568 5.354 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.548 -34.435 7.935 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.383 -34.070 5.212 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.268 -32.678 6.271 1.00 0.00 H new ATOM 0 HG CYS A 54 -0.015 -33.816 7.189 1.00 0.00 H new ATOM 864 N LYS A 55 -5.531 -32.737 5.982 1.00 0.00 N ATOM 865 CA LYS A 55 -6.639 -31.763 6.048 1.00 0.00 C ATOM 866 C LYS A 55 -7.407 -31.880 7.362 1.00 0.00 C ATOM 867 O LYS A 55 -7.496 -30.903 8.096 1.00 0.00 O ATOM 868 CB LYS A 55 -7.607 -31.992 4.884 1.00 0.00 C ATOM 869 CG LYS A 55 -7.791 -30.781 3.971 1.00 0.00 C ATOM 870 CD LYS A 55 -6.530 -30.385 3.185 1.00 0.00 C ATOM 871 CE LYS A 55 -6.939 -29.424 2.055 1.00 0.00 C ATOM 872 NZ LYS A 55 -7.422 -30.152 0.853 1.00 0.00 N ATOM 0 H LYS A 55 -5.481 -33.239 5.095 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.205 -30.765 5.985 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.247 -32.831 4.288 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.578 -32.280 5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.594 -30.992 3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.111 -29.931 4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.807 -29.907 3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.047 -31.271 2.772 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.722 -28.756 2.413 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.087 -28.800 1.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.591 -29.475 0.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.706 -30.845 0.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.308 -30.647 1.080 1.00 0.00 H new ATOM 886 N THR A 56 -7.922 -33.074 7.677 1.00 0.00 N ATOM 887 CA THR A 56 -8.714 -33.270 8.890 1.00 0.00 C ATOM 888 C THR A 56 -7.872 -33.286 10.171 1.00 0.00 C ATOM 889 O THR A 56 -8.436 -33.116 11.254 1.00 0.00 O ATOM 890 CB THR A 56 -9.687 -34.453 8.772 1.00 0.00 C ATOM 891 OG1 THR A 56 -10.856 -34.139 9.505 1.00 0.00 O ATOM 892 CG2 THR A 56 -9.155 -35.793 9.271 1.00 0.00 C ATOM 0 H THR A 56 -7.804 -33.914 7.110 1.00 0.00 H new ATOM 0 HA THR A 56 -9.341 -32.384 8.987 1.00 0.00 H new ATOM 0 HB THR A 56 -9.867 -34.585 7.705 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.492 -34.882 9.441 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.920 -36.559 9.142 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.267 -36.067 8.701 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.897 -35.712 10.327 1.00 0.00 H new ATOM 900 N ILE A 57 -6.547 -33.407 10.044 1.00 0.00 N ATOM 901 CA ILE A 57 -5.579 -33.406 11.165 1.00 0.00 C ATOM 902 C ILE A 57 -5.096 -31.990 11.508 1.00 0.00 C ATOM 903 O ILE A 57 -5.467 -31.473 12.563 1.00 0.00 O ATOM 904 CB ILE A 57 -4.405 -34.349 10.819 1.00 0.00 C ATOM 905 CG1 ILE A 57 -4.899 -35.813 10.840 1.00 0.00 C ATOM 906 CG2 ILE A 57 -3.155 -34.189 11.705 1.00 0.00 C ATOM 907 CD1 ILE A 57 -3.977 -36.747 10.055 1.00 0.00 C ATOM 0 H ILE A 57 -6.097 -33.512 9.135 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.077 -33.775 12.062 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.076 -34.062 9.820 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.967 -36.156 11.872 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.904 -35.861 10.421 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.388 -34.894 11.383 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.773 -33.172 11.616 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.418 -34.388 12.744 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.366 -37.764 10.099 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.929 -36.422 9.016 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.978 -36.722 10.490 1.00 0.00 H new ATOM 919 N LEU A 58 -4.336 -31.319 10.624 1.00 0.00 N ATOM 920 CA LEU A 58 -3.845 -29.954 10.873 1.00 0.00 C ATOM 921 C LEU A 58 -4.975 -28.966 11.155 1.00 0.00 C ATOM 922 O LEU A 58 -4.762 -28.009 11.891 1.00 0.00 O ATOM 923 CB LEU A 58 -2.968 -29.430 9.735 1.00 0.00 C ATOM 924 CG LEU A 58 -1.701 -30.273 9.522 1.00 0.00 C ATOM 925 CD1 LEU A 58 -1.890 -31.313 8.433 1.00 0.00 C ATOM 926 CD2 LEU A 58 -0.532 -29.374 9.143 1.00 0.00 C ATOM 0 H LEU A 58 -4.048 -31.705 9.725 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.230 -30.030 11.770 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.548 -29.415 8.812 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.682 -28.400 9.948 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.495 -30.787 10.461 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.971 -31.887 8.315 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.704 -31.984 8.708 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.131 -30.816 7.493 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.361 -29.981 8.994 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.766 -28.842 8.221 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.352 -28.654 9.942 1.00 0.00 H new ATOM 938 N LYS A 59 -6.181 -29.281 10.659 1.00 0.00 N ATOM 939 CA LYS A 59 -7.481 -28.695 11.047 1.00 0.00 C ATOM 940 C LYS A 59 -7.565 -28.210 12.501 1.00 0.00 C ATOM 941 O LYS A 59 -8.213 -27.211 12.794 1.00 0.00 O ATOM 942 CB LYS A 59 -8.501 -29.823 10.896 1.00 0.00 C ATOM 943 CG LYS A 59 -9.660 -29.530 9.949 1.00 0.00 C ATOM 944 CD LYS A 59 -11.036 -29.439 10.633 1.00 0.00 C ATOM 945 CE LYS A 59 -11.351 -30.496 11.710 1.00 0.00 C ATOM 946 NZ LYS A 59 -10.941 -31.885 11.361 1.00 0.00 N ATOM 0 H LYS A 59 -6.285 -29.992 9.935 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.650 -27.819 10.420 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.983 -30.715 10.544 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.907 -30.057 11.880 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.462 -28.591 9.433 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.697 -30.310 9.188 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.123 -28.453 11.090 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.803 -29.502 9.861 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.856 -30.208 12.637 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.423 -30.487 11.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.445 -32.559 11.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.175 -32.077 10.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.916 -31.990 11.501 1.00 0.00 H new ATOM 960 N ALA A 60 -6.949 -28.995 13.382 1.00 0.00 N ATOM 961 CA ALA A 60 -6.816 -28.772 14.816 1.00 0.00 C ATOM 962 C ALA A 60 -5.351 -28.867 15.294 1.00 0.00 C ATOM 963 O ALA A 60 -5.024 -28.371 16.369 1.00 0.00 O ATOM 964 CB ALA A 60 -7.695 -29.812 15.519 1.00 0.00 C ATOM 0 H ALA A 60 -6.499 -29.863 13.091 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.138 -27.760 15.060 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.623 -29.679 16.598 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.731 -29.684 15.206 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.357 -30.814 15.254 1.00 0.00 H new ATOM 970 N LEU A 61 -4.453 -29.462 14.498 1.00 0.00 N ATOM 971 CA LEU A 61 -3.043 -29.689 14.827 1.00 0.00 C ATOM 972 C LEU A 61 -2.134 -28.532 14.378 1.00 0.00 C ATOM 973 O LEU A 61 -1.083 -28.747 13.777 1.00 0.00 O ATOM 974 CB LEU A 61 -2.583 -31.072 14.304 1.00 0.00 C ATOM 975 CG LEU A 61 -1.657 -31.770 15.318 1.00 0.00 C ATOM 976 CD1 LEU A 61 -2.448 -32.352 16.493 1.00 0.00 C ATOM 977 CD2 LEU A 61 -0.884 -32.913 14.670 1.00 0.00 C ATOM 0 H LEU A 61 -4.700 -29.811 13.572 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.949 -29.707 15.913 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.454 -31.699 14.111 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.061 -30.950 13.355 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.967 -31.005 15.675 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.763 -32.837 17.188 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.979 -31.551 17.006 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.166 -33.083 16.122 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.240 -33.384 15.413 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.585 -33.650 14.278 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.273 -32.523 13.855 1.00 0.00 H new ATOM 989 N GLY A 62 -2.507 -27.298 14.722 1.00 0.00 N ATOM 990 CA GLY A 62 -1.694 -26.097 14.497 1.00 0.00 C ATOM 991 C GLY A 62 -1.044 -25.485 15.750 1.00 0.00 C ATOM 992 O GLY A 62 -1.119 -24.264 15.884 1.00 0.00 O ATOM 0 H GLY A 62 -3.400 -27.099 15.174 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.906 -26.343 13.785 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.322 -25.339 14.029 1.00 0.00 H new ATOM 996 N PRO A 63 -0.371 -26.237 16.653 1.00 0.00 N ATOM 997 CA PRO A 63 0.342 -25.679 17.807 1.00 0.00 C ATOM 998 C PRO A 63 1.685 -25.030 17.398 1.00 0.00 C ATOM 999 O PRO A 63 2.713 -25.285 18.014 1.00 0.00 O ATOM 1000 CB PRO A 63 0.514 -26.873 18.756 1.00 0.00 C ATOM 1001 CG PRO A 63 0.797 -28.010 17.778 1.00 0.00 C ATOM 1002 CD PRO A 63 -0.134 -27.677 16.615 1.00 0.00 C ATOM 0 HA PRO A 63 -0.203 -24.865 18.284 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.335 -26.723 19.457 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.382 -27.057 19.349 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.842 -28.030 17.469 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.574 -28.985 18.212 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.316 -27.968 15.666 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -1.072 -28.224 16.704 1.00 0.00 H new ATOM 1010 N ALA A 64 1.700 -24.254 16.308 1.00 0.00 N ATOM 1011 CA ALA A 64 2.827 -23.445 15.818 1.00 0.00 C ATOM 1012 C ALA A 64 4.209 -24.120 15.590 1.00 0.00 C ATOM 1013 O ALA A 64 5.146 -23.401 15.260 1.00 0.00 O ATOM 1014 CB ALA A 64 2.920 -22.190 16.702 1.00 0.00 C ATOM 0 H ALA A 64 0.880 -24.167 15.708 1.00 0.00 H new ATOM 0 HA ALA A 64 2.577 -23.216 14.782 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.748 -21.567 16.364 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.990 -21.626 16.632 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.088 -22.486 17.738 1.00 0.00 H new ATOM 1020 N ALA A 65 4.360 -25.451 15.696 1.00 0.00 N ATOM 1021 CA ALA A 65 5.652 -26.137 15.490 1.00 0.00 C ATOM 1022 C ALA A 65 5.528 -27.462 14.715 1.00 0.00 C ATOM 1023 O ALA A 65 5.962 -27.537 13.572 1.00 0.00 O ATOM 1024 CB ALA A 65 6.318 -26.325 16.861 1.00 0.00 C ATOM 0 H ALA A 65 3.593 -26.083 15.926 1.00 0.00 H new ATOM 0 HA ALA A 65 6.280 -25.513 14.854 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.275 -26.830 16.734 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.480 -25.351 17.323 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.672 -26.927 17.500 1.00 0.00 H new ATOM 1030 N THR A 66 4.840 -28.485 15.245 1.00 0.00 N ATOM 1031 CA THR A 66 4.665 -29.797 14.562 1.00 0.00 C ATOM 1032 C THR A 66 4.049 -29.691 13.158 1.00 0.00 C ATOM 1033 O THR A 66 4.130 -30.588 12.333 1.00 0.00 O ATOM 1034 CB THR A 66 3.786 -30.751 15.392 1.00 0.00 C ATOM 1035 OG1 THR A 66 3.938 -30.531 16.778 1.00 0.00 O ATOM 1036 CG2 THR A 66 4.129 -32.213 15.126 1.00 0.00 C ATOM 0 H THR A 66 4.386 -28.436 16.157 1.00 0.00 H new ATOM 0 HA THR A 66 5.677 -30.189 14.462 1.00 0.00 H new ATOM 0 HB THR A 66 2.760 -30.543 15.087 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.364 -31.153 17.273 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.487 -32.853 15.731 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.974 -32.437 14.071 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.172 -32.395 15.386 1.00 0.00 H new ATOM 1044 N LEU A 67 3.429 -28.564 12.850 1.00 0.00 N ATOM 1045 CA LEU A 67 2.923 -28.229 11.525 1.00 0.00 C ATOM 1046 C LEU A 67 3.971 -28.388 10.400 1.00 0.00 C ATOM 1047 O LEU A 67 3.683 -28.982 9.364 1.00 0.00 O ATOM 1048 CB LEU A 67 2.440 -26.793 11.662 1.00 0.00 C ATOM 1049 CG LEU A 67 1.448 -26.271 10.618 1.00 0.00 C ATOM 1050 CD1 LEU A 67 1.565 -24.753 10.638 1.00 0.00 C ATOM 1051 CD2 LEU A 67 1.716 -26.771 9.206 1.00 0.00 C ATOM 0 H LEU A 67 3.257 -27.831 13.538 1.00 0.00 H new ATOM 0 HA LEU A 67 2.131 -28.913 11.221 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.980 -26.687 12.644 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.315 -26.143 11.648 1.00 0.00 H new ATOM 0 HG LEU A 67 0.453 -26.633 10.876 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.877 -24.325 9.909 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.317 -24.382 11.632 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.585 -24.463 10.387 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.971 -26.357 8.526 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.710 -26.455 8.891 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.658 -27.859 9.188 1.00 0.00 H new ATOM 1063 N GLU A 68 5.185 -27.891 10.605 1.00 0.00 N ATOM 1064 CA GLU A 68 6.314 -28.026 9.666 1.00 0.00 C ATOM 1065 C GLU A 68 6.537 -29.463 9.162 1.00 0.00 C ATOM 1066 O GLU A 68 6.865 -29.673 7.992 1.00 0.00 O ATOM 1067 CB GLU A 68 7.618 -27.569 10.349 1.00 0.00 C ATOM 1068 CG GLU A 68 7.559 -26.157 10.922 1.00 0.00 C ATOM 1069 CD GLU A 68 8.918 -25.728 11.504 1.00 0.00 C ATOM 1070 OE1 GLU A 68 9.335 -26.301 12.534 1.00 0.00 O ATOM 1071 OE2 GLU A 68 9.553 -24.831 10.900 1.00 0.00 O ATOM 0 H GLU A 68 5.427 -27.368 11.447 1.00 0.00 H new ATOM 0 HA GLU A 68 6.057 -27.404 8.808 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.858 -28.266 11.152 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.432 -27.623 9.626 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.259 -25.458 10.141 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.797 -26.110 11.700 1.00 0.00 H new ATOM 1078 N GLU A 69 6.333 -30.467 10.025 1.00 0.00 N ATOM 1079 CA GLU A 69 6.305 -31.869 9.564 1.00 0.00 C ATOM 1080 C GLU A 69 4.989 -32.241 8.871 1.00 0.00 C ATOM 1081 O GLU A 69 4.991 -32.918 7.838 1.00 0.00 O ATOM 1082 CB GLU A 69 6.615 -32.872 10.686 1.00 0.00 C ATOM 1083 CG GLU A 69 5.517 -33.125 11.734 1.00 0.00 C ATOM 1084 CD GLU A 69 5.535 -34.583 12.197 1.00 0.00 C ATOM 1085 OE1 GLU A 69 5.000 -35.420 11.432 1.00 0.00 O ATOM 1086 OE2 GLU A 69 6.071 -34.834 13.299 1.00 0.00 O ATOM 0 H GLU A 69 6.187 -30.344 11.027 1.00 0.00 H new ATOM 0 HA GLU A 69 7.103 -31.937 8.825 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.866 -33.827 10.224 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.507 -32.527 11.209 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.665 -32.465 12.589 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.542 -32.885 11.311 1.00 0.00 H new ATOM 1093 N MET A 70 3.864 -31.754 9.407 1.00 0.00 N ATOM 1094 CA MET A 70 2.510 -32.133 8.989 1.00 0.00 C ATOM 1095 C MET A 70 2.209 -31.702 7.547 1.00 0.00 C ATOM 1096 O MET A 70 1.369 -32.296 6.861 1.00 0.00 O ATOM 1097 CB MET A 70 1.511 -31.569 9.974 1.00 0.00 C ATOM 1098 CG MET A 70 1.524 -32.181 11.355 1.00 0.00 C ATOM 1099 SD MET A 70 0.579 -33.726 11.475 1.00 0.00 S ATOM 1100 CE MET A 70 1.932 -34.937 11.459 1.00 0.00 C ATOM 0 H MET A 70 3.870 -31.068 10.162 1.00 0.00 H new ATOM 0 HA MET A 70 2.431 -33.220 8.993 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.691 -30.498 10.071 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.512 -31.687 9.555 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.556 -32.373 11.649 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.119 -31.461 12.066 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.543 -35.921 11.721 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.375 -34.975 10.464 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.692 -34.643 12.183 1.00 0.00 H new ATOM 1110 N MET A 71 2.964 -30.694 7.110 1.00 0.00 N ATOM 1111 CA MET A 71 3.133 -30.200 5.751 1.00 0.00 C ATOM 1112 C MET A 71 3.504 -31.362 4.823 1.00 0.00 C ATOM 1113 O MET A 71 2.671 -31.860 4.066 1.00 0.00 O ATOM 1114 CB MET A 71 4.139 -29.027 5.798 1.00 0.00 C ATOM 1115 CG MET A 71 4.526 -28.343 4.474 1.00 0.00 C ATOM 1116 SD MET A 71 5.583 -29.259 3.324 1.00 0.00 S ATOM 1117 CE MET A 71 7.083 -29.339 4.339 1.00 0.00 C ATOM 0 H MET A 71 3.526 -30.153 7.767 1.00 0.00 H new ATOM 0 HA MET A 71 2.213 -29.799 5.326 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.729 -28.264 6.459 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.054 -29.393 6.263 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.606 -28.085 3.949 1.00 0.00 H new ATOM 0 HG3 MET A 71 5.028 -27.406 4.716 1.00 0.00 H new ATOM 0 HE1 MET A 71 7.911 -29.712 3.736 1.00 0.00 H new ATOM 0 HE2 MET A 71 7.325 -28.343 4.710 1.00 0.00 H new ATOM 0 HE3 MET A 71 6.917 -30.010 5.182 1.00 0.00 H new ATOM 1127 N THR A 72 4.711 -31.898 4.971 1.00 0.00 N ATOM 1128 CA THR A 72 5.154 -33.098 4.239 1.00 0.00 C ATOM 1129 C THR A 72 4.264 -34.304 4.502 1.00 0.00 C ATOM 1130 O THR A 72 3.981 -35.055 3.572 1.00 0.00 O ATOM 1131 CB THR A 72 6.551 -33.545 4.687 1.00 0.00 C ATOM 1132 OG1 THR A 72 7.421 -32.462 4.924 1.00 0.00 O ATOM 1133 CG2 THR A 72 7.227 -34.450 3.656 1.00 0.00 C ATOM 0 H THR A 72 5.417 -31.518 5.601 1.00 0.00 H new ATOM 0 HA THR A 72 5.126 -32.804 3.190 1.00 0.00 H new ATOM 0 HB THR A 72 6.378 -34.090 5.615 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.296 -32.801 5.208 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.213 -34.740 4.018 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.620 -35.342 3.501 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.330 -33.913 2.713 1.00 0.00 H new ATOM 1141 N ALA A 73 3.817 -34.507 5.748 1.00 0.00 N ATOM 1142 CA ALA A 73 3.139 -35.740 6.155 1.00 0.00 C ATOM 1143 C ALA A 73 1.915 -36.032 5.274 1.00 0.00 C ATOM 1144 O ALA A 73 1.655 -37.184 4.924 1.00 0.00 O ATOM 1145 CB ALA A 73 2.762 -35.651 7.637 1.00 0.00 C ATOM 0 H ALA A 73 3.916 -33.823 6.498 1.00 0.00 H new ATOM 0 HA ALA A 73 3.823 -36.577 6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.257 -36.569 7.940 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.664 -35.519 8.235 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.096 -34.802 7.793 1.00 0.00 H new ATOM 1151 N CYS A 74 1.233 -34.975 4.821 1.00 0.00 N ATOM 1152 CA CYS A 74 0.099 -35.112 3.920 1.00 0.00 C ATOM 1153 C CYS A 74 0.444 -35.775 2.583 1.00 0.00 C ATOM 1154 O CYS A 74 -0.388 -36.509 2.059 1.00 0.00 O ATOM 1155 CB CYS A 74 -0.560 -33.741 3.714 1.00 0.00 C ATOM 1156 SG CYS A 74 0.136 -32.772 2.366 1.00 0.00 S ATOM 0 H CYS A 74 1.454 -34.011 5.070 1.00 0.00 H new ATOM 0 HA CYS A 74 -0.607 -35.792 4.396 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.624 -33.888 3.527 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.475 -33.169 4.638 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.722 -32.704 1.392 1.00 0.00 H new ATOM 1162 N GLN A 75 1.645 -35.544 2.040 1.00 0.00 N ATOM 1163 CA GLN A 75 1.999 -35.901 0.673 1.00 0.00 C ATOM 1164 C GLN A 75 2.705 -37.259 0.569 1.00 0.00 C ATOM 1165 O GLN A 75 2.953 -37.745 -0.532 1.00 0.00 O ATOM 1166 CB GLN A 75 2.813 -34.728 0.104 1.00 0.00 C ATOM 1167 CG GLN A 75 4.316 -34.742 0.419 1.00 0.00 C ATOM 1168 CD GLN A 75 5.179 -34.930 -0.830 1.00 0.00 C ATOM 1169 OE1 GLN A 75 6.001 -34.099 -1.177 1.00 0.00 O ATOM 1170 NE2 GLN A 75 5.032 -36.019 -1.555 1.00 0.00 N ATOM 0 H GLN A 75 2.406 -35.096 2.551 1.00 0.00 H new ATOM 0 HA GLN A 75 1.102 -36.049 0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.688 -34.715 -0.979 1.00 0.00 H new ATOM 0 HB3 GLN A 75 2.390 -33.798 0.485 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.589 -33.807 0.907 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.527 -35.544 1.126 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.350 -36.726 -1.281 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.601 -36.156 -2.391 1.00 0.00 H new