USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 795 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 87 LYS NZ :NH3+ -170:sc= -1.72! (180deg=-2.03!) USER MOD Set 1.2: A 88 TYR OH : rot 180:sc= 0.0511 USER MOD Set 2.1: A 72 HIS : no HE2:sc= -9.38! C(o=-9.9!,f=-11!) USER MOD Set 2.2: A 76 ASN : amide:sc= -0.486 K(o=-9.9,f=-11) USER MOD Single : A 8 TYR OH : rot 165:sc= 0.114 USER MOD Single : A 10 ASN : amide:sc= -3.84 K(o=-3.8,f=-5.6!) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN :FLIP amide:sc= -2.04 F(o=-3.8,f=-2) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 60:sc= -1.5! USER MOD Single : A 28 ASN : amide:sc= -0.491 X(o=-0.49,f=-9.4e-05) USER MOD Single : A 31 MET CE :methyl -162:sc= -0.278 (180deg=-1.18) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -1.53 USER MOD Single : A 41 LYS NZ :NH3+ 160:sc= -0.0312 (180deg=-0.29) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.656 F(o=-3.1,f=-0.66) USER MOD Single : A 61 ASN : amide:sc= -3 K(o=-3,f=-8.1!) USER MOD Single : A 62 GLN : amide:sc= -0.184 K(o=-0.18,f=-1.8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 128:sc= -4.3! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -83:sc= -2.65! USER MOD Single : A 93 ASN : amide:sc= -0.869 K(o=-0.87,f=-2.5) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -127:sc= -0.429 (180deg=-1.96) USER MOD Single : A 98 TYR OH : rot 101:sc= -2.79! USER MOD Single : A 103 LYS NZ :NH3+ 175:sc= -0.273 (180deg=-0.363) USER MOD ----------------------------------------------------------------- ATOM 121 N TYR A 8 -15.483 1.443 -2.551 1.00 0.00 N ATOM 122 CA TYR A 8 -14.610 0.893 -3.559 1.00 0.00 C ATOM 123 C TYR A 8 -14.515 -0.543 -3.403 1.00 0.00 C ATOM 124 O TYR A 8 -15.412 -1.177 -2.855 1.00 0.00 O ATOM 125 CB TYR A 8 -13.224 1.532 -3.446 1.00 0.00 C ATOM 126 CG TYR A 8 -12.513 1.205 -2.143 1.00 0.00 C ATOM 127 CD1 TYR A 8 -12.760 1.946 -1.006 1.00 0.00 C ATOM 128 CD2 TYR A 8 -11.598 0.173 -2.075 1.00 0.00 C ATOM 129 CE1 TYR A 8 -12.114 1.652 0.112 1.00 0.00 C ATOM 130 CE2 TYR A 8 -10.947 -0.074 -0.906 1.00 0.00 C ATOM 131 CZ TYR A 8 -11.205 0.615 0.156 1.00 0.00 C ATOM 132 OH TYR A 8 -10.563 0.320 1.333 1.00 0.00 O ATOM 0 HA TYR A 8 -15.020 1.109 -4.545 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.609 1.197 -4.281 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -13.322 2.614 -3.536 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -13.473 2.757 -1.027 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.400 -0.435 -2.945 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -12.302 2.233 1.003 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -10.204 -0.857 -0.865 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.155 -0.569 1.269 1.00 0.00 H new ATOM 142 N ASP A 9 -13.424 -1.118 -3.898 1.00 0.00 N ATOM 143 CA ASP A 9 -13.215 -2.559 -3.825 1.00 0.00 C ATOM 144 C ASP A 9 -11.730 -2.893 -3.899 1.00 0.00 C ATOM 145 O ASP A 9 -11.137 -2.858 -4.976 1.00 0.00 O ATOM 146 CB ASP A 9 -13.974 -3.259 -4.952 1.00 0.00 C ATOM 147 CG ASP A 9 -14.825 -4.415 -4.444 1.00 0.00 C ATOM 148 OD1 ASP A 9 -15.293 -4.343 -3.292 1.00 0.00 O ATOM 149 OD2 ASP A 9 -15.012 -5.393 -5.203 1.00 0.00 O ATOM 0 H ASP A 9 -12.669 -0.606 -4.355 1.00 0.00 H new ATOM 0 HA ASP A 9 -13.598 -2.915 -2.869 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -14.613 -2.537 -5.460 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.263 -3.631 -5.690 1.00 0.00 H new ATOM 154 N ASN A 10 -11.142 -3.230 -2.761 1.00 0.00 N ATOM 155 CA ASN A 10 -9.725 -3.581 -2.703 1.00 0.00 C ATOM 156 C ASN A 10 -9.414 -4.347 -1.426 1.00 0.00 C ATOM 157 O ASN A 10 -9.170 -5.557 -1.454 1.00 0.00 O ATOM 158 CB ASN A 10 -8.863 -2.317 -2.776 1.00 0.00 C ATOM 159 CG ASN A 10 -7.630 -2.512 -3.645 1.00 0.00 C ATOM 160 OD1 ASN A 10 -7.241 -1.619 -4.393 1.00 0.00 O ATOM 161 ND2 ASN A 10 -7.008 -3.679 -3.535 1.00 0.00 N ATOM 0 H ASN A 10 -11.622 -3.269 -1.862 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.495 -4.219 -3.557 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.459 -1.495 -3.173 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.555 -2.031 -1.770 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.169 -3.864 -4.085 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.368 -4.391 -2.900 1.00 0.00 H new ATOM 168 N ILE A 11 -9.421 -3.645 -0.312 1.00 0.00 N ATOM 169 CA ILE A 11 -9.136 -4.250 0.911 1.00 0.00 C ATOM 170 C ILE A 11 -9.570 -3.316 2.039 1.00 0.00 C ATOM 171 O ILE A 11 -9.974 -2.181 1.778 1.00 0.00 O ATOM 172 CB ILE A 11 -7.629 -4.617 1.034 1.00 0.00 C ATOM 173 CG1 ILE A 11 -7.458 -6.125 1.222 1.00 0.00 C ATOM 174 CG2 ILE A 11 -6.936 -3.855 2.163 1.00 0.00 C ATOM 175 CD1 ILE A 11 -8.159 -6.674 2.450 1.00 0.00 C ATOM 0 H ILE A 11 -9.627 -2.647 -0.260 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.691 -5.186 0.980 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.149 -4.317 0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.839 -6.637 0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.395 -6.355 1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.887 -4.146 2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.008 -2.783 1.976 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.419 -4.091 3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.991 -7.749 2.514 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.762 -6.191 3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.229 -6.477 2.377 1.00 0.00 H new ATOM 187 N ASN A 12 -9.495 -3.786 3.279 1.00 0.00 N ATOM 188 CA ASN A 12 -9.883 -2.967 4.425 1.00 0.00 C ATOM 189 C ASN A 12 -8.870 -1.849 4.652 1.00 0.00 C ATOM 190 O ASN A 12 -8.159 -1.829 5.656 1.00 0.00 O ATOM 191 CB ASN A 12 -9.995 -3.836 5.685 1.00 0.00 C ATOM 192 CG ASN A 12 -11.402 -4.365 5.902 1.00 0.00 C ATOM 193 OD1 ASN A 12 -11.896 -5.188 5.126 1.00 0.00 O ATOM 194 ND2 ASN A 12 -12.056 -3.885 6.949 1.00 0.00 N ATOM 0 H ASN A 12 -9.171 -4.724 3.517 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.855 -2.520 4.215 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.303 -4.674 5.607 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -9.692 -3.252 6.554 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.009 -4.195 7.141 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -11.607 -3.206 7.563 1.00 0.00 H new ATOM 201 N LEU A 13 -8.805 -0.924 3.702 1.00 0.00 N ATOM 202 CA LEU A 13 -7.877 0.117 3.774 1.00 0.00 C ATOM 203 C LEU A 13 -8.460 1.241 4.603 1.00 0.00 C ATOM 204 O LEU A 13 -8.565 2.386 4.162 1.00 0.00 O ATOM 205 CB LEU A 13 -7.517 0.607 2.381 1.00 0.00 C ATOM 206 CG LEU A 13 -6.286 -0.005 1.769 1.00 0.00 C ATOM 207 CD1 LEU A 13 -6.321 0.058 0.246 1.00 0.00 C ATOM 208 CD2 LEU A 13 -5.015 0.558 2.320 1.00 0.00 C ATOM 0 H LEU A 13 -9.406 -0.904 2.878 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.963 -0.242 4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.362 0.416 1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.381 1.688 2.420 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.297 -1.057 2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.415 -0.394 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.192 -0.485 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.381 1.098 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.164 0.076 1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.980 1.631 2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.973 0.379 3.394 1.00 0.00 H new ATOM 220 N ASP A 14 -8.817 0.905 5.839 1.00 0.00 N ATOM 221 CA ASP A 14 -9.364 1.865 6.772 1.00 0.00 C ATOM 222 C ASP A 14 -8.551 1.837 8.052 1.00 0.00 C ATOM 223 O ASP A 14 -7.914 2.819 8.424 1.00 0.00 O ATOM 224 CB ASP A 14 -10.837 1.544 7.065 1.00 0.00 C ATOM 225 CG ASP A 14 -11.667 2.795 7.298 1.00 0.00 C ATOM 226 OD1 ASP A 14 -11.821 3.583 6.339 1.00 0.00 O ATOM 227 OD2 ASP A 14 -12.151 2.987 8.430 1.00 0.00 O ATOM 0 H ASP A 14 -8.733 -0.040 6.214 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.314 2.863 6.336 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.257 0.983 6.230 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.898 0.902 7.944 1.00 0.00 H new ATOM 232 N GLU A 15 -8.550 0.680 8.702 1.00 0.00 N ATOM 233 CA GLU A 15 -7.789 0.490 9.932 1.00 0.00 C ATOM 234 C GLU A 15 -6.301 0.715 9.672 1.00 0.00 C ATOM 235 O GLU A 15 -5.547 1.015 10.596 1.00 0.00 O ATOM 236 CB GLU A 15 -8.024 -0.830 10.495 1.00 0.00 C ATOM 237 CG GLU A 15 -7.911 -1.925 9.448 1.00 0.00 C ATOM 238 CD GLU A 15 -7.456 -3.244 10.044 1.00 0.00 C ATOM 239 OE1 GLU A 15 -6.229 -3.448 10.174 1.00 0.00 O ATOM 240 OE2 GLU A 15 -8.328 -4.074 10.379 1.00 0.00 O ATOM 0 H GLU A 15 -9.069 -0.144 8.397 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.128 1.225 10.662 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.306 -1.017 11.293 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.016 -0.860 10.945 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.877 -2.062 8.962 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.207 -1.615 8.676 1.00 0.00 H new ATOM 247 N ILE A 16 -5.879 0.576 8.411 1.00 0.00 N ATOM 248 CA ILE A 16 -4.484 0.776 8.065 1.00 0.00 C ATOM 249 C ILE A 16 -4.218 2.212 7.639 1.00 0.00 C ATOM 250 O ILE A 16 -3.062 2.645 7.584 1.00 0.00 O ATOM 251 CB ILE A 16 -4.039 -0.108 6.938 1.00 0.00 C ATOM 252 CG1 ILE A 16 -4.432 -1.531 7.269 1.00 0.00 C ATOM 253 CG2 ILE A 16 -2.534 0.000 6.711 1.00 0.00 C ATOM 254 CD1 ILE A 16 -4.368 -2.466 6.079 1.00 0.00 C ATOM 0 H ILE A 16 -6.482 0.328 7.627 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.926 0.529 8.968 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.523 0.208 6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.776 -1.908 8.053 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.445 -1.536 7.671 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.242 -0.652 5.888 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.276 1.030 6.466 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.007 -0.301 7.616 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.662 -3.469 6.388 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.045 -2.112 5.302 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.350 -2.490 5.690 1.00 0.00 H new ATOM 266 N LEU A 17 -5.275 2.959 7.337 1.00 0.00 N ATOM 267 CA LEU A 17 -5.136 4.350 6.917 1.00 0.00 C ATOM 268 C LEU A 17 -5.711 5.293 7.986 1.00 0.00 C ATOM 269 O LEU A 17 -5.653 6.513 7.841 1.00 0.00 O ATOM 270 CB LEU A 17 -5.835 4.563 5.569 1.00 0.00 C ATOM 271 CG LEU A 17 -6.316 5.986 5.273 1.00 0.00 C ATOM 272 CD1 LEU A 17 -5.138 6.943 5.189 1.00 0.00 C ATOM 273 CD2 LEU A 17 -7.122 6.015 3.987 1.00 0.00 C ATOM 0 H LEU A 17 -6.238 2.625 7.375 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.077 4.580 6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.150 4.261 4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.694 3.894 5.519 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.960 6.310 6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.501 7.949 4.978 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.601 6.943 6.137 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.467 6.625 4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.457 7.033 3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.500 5.671 3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.988 5.361 4.086 1.00 0.00 H new ATOM 285 N ALA A 18 -6.253 4.716 9.062 1.00 0.00 N ATOM 286 CA ALA A 18 -6.819 5.505 10.149 1.00 0.00 C ATOM 287 C ALA A 18 -5.872 6.631 10.571 1.00 0.00 C ATOM 288 O ALA A 18 -6.321 7.743 10.861 1.00 0.00 O ATOM 289 CB ALA A 18 -7.143 4.607 11.334 1.00 0.00 C ATOM 0 H ALA A 18 -6.310 3.707 9.200 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.740 5.964 9.791 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.565 5.207 12.140 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.865 3.849 11.029 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.232 4.121 11.682 1.00 0.00 H new ATOM 295 N ASN A 19 -4.581 6.339 10.618 1.00 0.00 N ATOM 296 CA ASN A 19 -3.597 7.332 11.010 1.00 0.00 C ATOM 297 C ASN A 19 -2.173 6.852 10.738 1.00 0.00 C ATOM 298 O ASN A 19 -1.932 5.663 10.509 1.00 0.00 O ATOM 299 CB ASN A 19 -3.743 7.679 12.492 1.00 0.00 C ATOM 300 CG ASN A 19 -4.294 6.526 13.312 1.00 0.00 C ATOM 301 OD1 ASN A 19 -3.584 5.405 13.299 1.00 0.00 O flip ATOM 302 ND2 ASN A 19 -5.336 6.639 13.956 1.00 0.00 N flip ATOM 0 H ASN A 19 -4.193 5.424 10.390 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.781 8.222 10.409 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.771 7.971 12.890 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.402 8.541 12.596 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.853 7.518 13.940 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.683 5.853 14.506 1.00 0.00 H new ATOM 309 N LYS A 20 -1.229 7.791 10.773 1.00 0.00 N ATOM 310 CA LYS A 20 0.095 7.472 10.541 1.00 0.00 C ATOM 311 C LYS A 20 0.554 6.384 11.494 1.00 0.00 C ATOM 312 O LYS A 20 1.472 5.618 11.186 1.00 0.00 O ATOM 313 CB LYS A 20 0.996 8.709 10.708 1.00 0.00 C ATOM 314 CG LYS A 20 0.276 10.040 10.572 1.00 0.00 C ATOM 315 CD LYS A 20 -0.201 10.516 11.917 1.00 0.00 C ATOM 316 CE LYS A 20 -1.276 11.548 11.746 1.00 0.00 C ATOM 317 NZ LYS A 20 -1.213 12.610 12.784 1.00 0.00 N ATOM 0 H LYS A 20 -1.404 8.777 10.966 1.00 0.00 H new ATOM 0 HA LYS A 20 0.175 7.112 9.515 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.471 8.666 11.688 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.793 8.665 9.966 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.945 10.780 10.133 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.571 9.935 9.894 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.582 9.674 12.495 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.632 10.937 12.479 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.186 12.002 10.759 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.251 11.063 11.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.976 13.299 12.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.326 12.182 13.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.294 13.093 12.731 1.00 0.00 H new ATOM 331 N ARG A 21 -0.026 6.308 12.657 1.00 0.00 N ATOM 332 CA ARG A 21 0.280 5.298 13.645 1.00 0.00 C ATOM 333 C ARG A 21 0.276 3.909 13.018 1.00 0.00 C ATOM 334 O ARG A 21 1.122 3.073 13.337 1.00 0.00 O ATOM 335 CB ARG A 21 -0.611 5.341 14.826 1.00 0.00 C ATOM 336 CG ARG A 21 -0.736 6.720 15.461 1.00 0.00 C ATOM 337 CD ARG A 21 -2.162 7.010 15.903 1.00 0.00 C ATOM 338 NE ARG A 21 -2.353 6.759 17.330 1.00 0.00 N ATOM 339 CZ ARG A 21 -1.756 7.449 18.290 1.00 0.00 C ATOM 340 NH1 ARG A 21 -0.925 8.433 17.989 1.00 0.00 N ATOM 341 NH2 ARG A 21 -1.994 7.150 19.570 1.00 0.00 N ATOM 0 H ARG A 21 -0.747 6.963 12.959 1.00 0.00 H new ATOM 0 HA ARG A 21 1.282 5.524 14.010 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.603 4.997 14.532 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.239 4.641 15.574 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.068 6.787 16.320 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.415 7.479 14.748 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.406 8.049 15.681 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.852 6.391 15.330 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.985 6.006 17.603 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.741 8.664 17.013 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.468 8.961 18.733 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.634 6.392 19.806 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.536 7.680 20.311 1.00 0.00 H new ATOM 355 N LEU A 22 -0.594 3.671 12.120 1.00 0.00 N ATOM 356 CA LEU A 22 -0.692 2.381 11.454 1.00 0.00 C ATOM 357 C LEU A 22 -0.038 2.419 10.088 1.00 0.00 C ATOM 358 O LEU A 22 0.678 1.528 9.753 1.00 0.00 O ATOM 359 CB LEU A 22 -2.153 1.960 11.314 1.00 0.00 C ATOM 360 CG LEU A 22 -2.712 1.182 12.515 1.00 0.00 C ATOM 361 CD1 LEU A 22 -4.067 1.739 12.919 1.00 0.00 C ATOM 362 CD2 LEU A 22 -2.820 -0.234 12.188 1.00 0.00 C ATOM 0 H LEU A 22 -1.280 4.356 11.803 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.166 1.651 12.069 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.761 2.851 11.160 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.256 1.345 10.420 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.028 1.294 13.356 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.451 1.178 13.771 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.962 2.789 13.193 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.761 1.650 12.083 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.217 -0.776 13.046 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.489 -0.361 11.337 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.834 -0.625 11.936 1.00 0.00 H new ATOM 374 N LEU A 23 -0.315 3.449 9.303 1.00 0.00 N ATOM 375 CA LEU A 23 0.197 3.580 7.981 1.00 0.00 C ATOM 376 C LEU A 23 1.720 3.528 8.099 1.00 0.00 C ATOM 377 O LEU A 23 2.403 2.864 7.316 1.00 0.00 O ATOM 378 CB LEU A 23 -0.143 4.899 7.336 1.00 0.00 C ATOM 379 CG LEU A 23 -1.576 4.948 6.825 1.00 0.00 C ATOM 380 CD1 LEU A 23 -1.958 6.375 6.446 1.00 0.00 C ATOM 381 CD2 LEU A 23 -1.755 4.019 5.632 1.00 0.00 C ATOM 0 H LEU A 23 -0.915 4.223 9.589 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.238 2.788 7.370 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.009 5.702 8.057 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.541 5.081 6.507 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.235 4.611 7.625 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.986 6.392 6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.872 7.019 7.321 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.290 6.735 5.663 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.786 4.070 5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.085 4.325 4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.522 2.996 5.929 1.00 0.00 H new ATOM 393 N VAL A 24 2.229 4.237 9.106 1.00 0.00 N ATOM 394 CA VAL A 24 3.656 4.304 9.356 1.00 0.00 C ATOM 395 C VAL A 24 4.171 3.027 9.998 1.00 0.00 C ATOM 396 O VAL A 24 5.180 2.476 9.569 1.00 0.00 O ATOM 397 CB VAL A 24 4.012 5.502 10.251 1.00 0.00 C ATOM 398 CG1 VAL A 24 5.518 5.573 10.475 1.00 0.00 C ATOM 399 CG2 VAL A 24 3.495 6.794 9.648 1.00 0.00 C ATOM 0 H VAL A 24 1.664 4.775 9.763 1.00 0.00 H new ATOM 0 HA VAL A 24 4.138 4.429 8.386 1.00 0.00 H new ATOM 0 HB VAL A 24 3.529 5.364 11.218 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.751 6.427 11.111 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.857 4.657 10.959 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.024 5.686 9.516 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.758 7.629 10.297 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.944 6.943 8.666 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.411 6.740 9.547 1.00 0.00 H new ATOM 409 N ALA A 25 3.483 2.554 11.027 1.00 0.00 N ATOM 410 CA ALA A 25 3.897 1.345 11.716 1.00 0.00 C ATOM 411 C ALA A 25 3.959 0.162 10.767 1.00 0.00 C ATOM 412 O ALA A 25 4.901 -0.536 10.796 1.00 0.00 O ATOM 413 CB ALA A 25 2.975 1.045 12.892 1.00 0.00 C ATOM 0 H ALA A 25 2.639 2.988 11.401 1.00 0.00 H new ATOM 0 HA ALA A 25 4.901 1.515 12.104 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.307 0.135 13.391 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.002 1.876 13.597 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.956 0.910 12.530 1.00 0.00 H new ATOM 419 N TYR A 26 2.959 0.052 9.908 1.00 0.00 N ATOM 420 CA TYR A 26 2.929 -0.962 8.938 1.00 0.00 C ATOM 421 C TYR A 26 4.026 -0.746 7.904 1.00 0.00 C ATOM 422 O TYR A 26 4.808 -1.655 7.613 1.00 0.00 O ATOM 423 CB TYR A 26 1.561 -1.067 8.259 1.00 0.00 C ATOM 424 CG TYR A 26 0.922 -2.435 8.389 1.00 0.00 C ATOM 425 CD1 TYR A 26 1.674 -3.591 8.233 1.00 0.00 C ATOM 426 CD2 TYR A 26 -0.349 -2.557 8.669 1.00 0.00 C ATOM 427 CE1 TYR A 26 1.095 -4.835 8.350 1.00 0.00 C ATOM 428 CE2 TYR A 26 -0.937 -3.802 8.797 1.00 0.00 C ATOM 429 CZ TYR A 26 -0.172 -4.937 8.636 1.00 0.00 C ATOM 430 OH TYR A 26 -0.754 -6.173 8.756 1.00 0.00 O ATOM 0 H TYR A 26 2.155 0.680 9.886 1.00 0.00 H new ATOM 0 HA TYR A 26 3.109 -1.907 9.450 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.893 -0.321 8.689 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.670 -0.825 7.202 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.729 -3.514 8.017 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.950 -1.670 8.803 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.690 -5.724 8.205 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.990 -3.884 9.022 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.310 -6.676 9.470 1.00 0.00 H new ATOM 440 N VAL A 27 4.100 0.386 7.365 1.00 0.00 N ATOM 441 CA VAL A 27 5.122 0.712 6.382 1.00 0.00 C ATOM 442 C VAL A 27 6.515 0.565 6.980 1.00 0.00 C ATOM 443 O VAL A 27 7.438 0.094 6.330 1.00 0.00 O ATOM 444 CB VAL A 27 4.940 2.134 5.814 1.00 0.00 C ATOM 445 CG1 VAL A 27 6.146 2.550 4.978 1.00 0.00 C ATOM 446 CG2 VAL A 27 3.661 2.224 4.998 1.00 0.00 C ATOM 0 H VAL A 27 3.460 1.153 7.571 1.00 0.00 H new ATOM 0 HA VAL A 27 5.011 0.005 5.560 1.00 0.00 H new ATOM 0 HB VAL A 27 4.861 2.825 6.653 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.990 3.557 4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.042 2.535 5.599 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.269 1.856 4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.550 3.235 4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.707 1.516 4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.807 1.985 5.632 1.00 0.00 H new ATOM 456 N ASN A 28 6.664 0.963 8.248 1.00 0.00 N ATOM 457 CA ASN A 28 7.941 0.848 8.919 1.00 0.00 C ATOM 458 C ASN A 28 8.232 -0.538 9.186 1.00 0.00 C ATOM 459 O ASN A 28 9.344 -1.019 8.950 1.00 0.00 O ATOM 460 CB ASN A 28 7.940 1.636 10.231 1.00 0.00 C ATOM 461 CG ASN A 28 8.366 3.073 10.040 1.00 0.00 C ATOM 462 OD1 ASN A 28 9.290 3.552 10.694 1.00 0.00 O ATOM 463 ND2 ASN A 28 7.692 3.778 9.134 1.00 0.00 N ATOM 0 H ASN A 28 5.917 1.363 8.817 1.00 0.00 H new ATOM 0 HA ASN A 28 8.709 1.262 8.266 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.941 1.611 10.666 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.610 1.153 10.942 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.936 4.753 8.962 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.931 3.343 8.612 1.00 0.00 H new ATOM 470 N CYS A 29 7.212 -1.247 9.642 1.00 0.00 N ATOM 471 CA CYS A 29 7.325 -2.656 9.919 1.00 0.00 C ATOM 472 C CYS A 29 7.678 -3.415 8.638 1.00 0.00 C ATOM 473 O CYS A 29 8.305 -4.476 8.689 1.00 0.00 O ATOM 474 CB CYS A 29 6.013 -3.176 10.490 1.00 0.00 C ATOM 475 SG CYS A 29 5.814 -2.877 12.275 1.00 0.00 S ATOM 0 H CYS A 29 6.288 -0.857 9.828 1.00 0.00 H new ATOM 0 HA CYS A 29 8.118 -2.813 10.650 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.185 -2.706 9.959 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.946 -4.247 10.301 1.00 0.00 H new ATOM 480 N VAL A 30 7.285 -2.852 7.499 1.00 0.00 N ATOM 481 CA VAL A 30 7.568 -3.472 6.211 1.00 0.00 C ATOM 482 C VAL A 30 9.071 -3.494 5.932 1.00 0.00 C ATOM 483 O VAL A 30 9.548 -4.299 5.130 1.00 0.00 O ATOM 484 CB VAL A 30 6.836 -2.744 5.063 1.00 0.00 C ATOM 485 CG1 VAL A 30 7.266 -3.292 3.705 1.00 0.00 C ATOM 486 CG2 VAL A 30 5.325 -2.850 5.231 1.00 0.00 C ATOM 0 H VAL A 30 6.772 -1.972 7.443 1.00 0.00 H new ATOM 0 HA VAL A 30 7.202 -4.498 6.260 1.00 0.00 H new ATOM 0 HB VAL A 30 7.112 -1.690 5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.735 -2.762 2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.340 -3.151 3.579 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.031 -4.355 3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.830 -2.330 4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.031 -3.900 5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.031 -2.396 6.178 1.00 0.00 H new ATOM 496 N MET A 31 9.817 -2.609 6.586 1.00 0.00 N ATOM 497 CA MET A 31 11.254 -2.555 6.388 1.00 0.00 C ATOM 498 C MET A 31 11.969 -1.867 7.550 1.00 0.00 C ATOM 499 O MET A 31 12.797 -0.977 7.341 1.00 0.00 O ATOM 500 CB MET A 31 11.577 -1.831 5.079 1.00 0.00 C ATOM 501 CG MET A 31 11.152 -0.370 5.066 1.00 0.00 C ATOM 502 SD MET A 31 12.263 0.594 4.107 1.00 0.00 S ATOM 503 CE MET A 31 13.345 1.213 5.398 1.00 0.00 C ATOM 0 H MET A 31 9.451 -1.927 7.251 1.00 0.00 H new ATOM 0 HA MET A 31 11.615 -3.583 6.340 1.00 0.00 H new ATOM 0 HB2 MET A 31 12.650 -1.889 4.897 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.086 -2.350 4.256 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.144 -0.283 4.660 1.00 0.00 H new ATOM 0 HG3 MET A 31 11.118 0.013 6.086 1.00 0.00 H new ATOM 0 HE1 MET A 31 13.898 2.076 5.027 1.00 0.00 H new ATOM 0 HE2 MET A 31 12.749 1.508 6.262 1.00 0.00 H new ATOM 0 HE3 MET A 31 14.046 0.432 5.691 1.00 0.00 H new ATOM 513 N GLU A 32 11.644 -2.271 8.781 1.00 0.00 N ATOM 514 CA GLU A 32 12.268 -1.678 9.953 1.00 0.00 C ATOM 515 C GLU A 32 13.229 -2.665 10.618 1.00 0.00 C ATOM 516 O GLU A 32 14.420 -2.671 10.327 1.00 0.00 O ATOM 517 CB GLU A 32 11.213 -1.197 10.944 1.00 0.00 C ATOM 518 CG GLU A 32 10.973 0.223 10.900 1.00 0.00 C ATOM 519 CD GLU A 32 12.250 1.018 11.054 1.00 0.00 C ATOM 520 OE1 GLU A 32 12.920 0.864 12.099 1.00 0.00 O ATOM 521 OE2 GLU A 32 12.578 1.799 10.139 1.00 0.00 O ATOM 0 H GLU A 32 10.959 -2.999 8.985 1.00 0.00 H new ATOM 0 HA GLU A 32 12.845 -0.813 9.626 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.277 -1.720 10.745 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.524 -1.472 11.952 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.497 0.481 9.954 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.277 0.498 11.693 1.00 0.00 H new ATOM 528 N ARG A 33 12.696 -3.474 11.525 1.00 0.00 N ATOM 529 CA ARG A 33 13.493 -4.448 12.244 1.00 0.00 C ATOM 530 C ARG A 33 13.141 -5.863 11.802 1.00 0.00 C ATOM 531 O ARG A 33 13.355 -6.828 12.544 1.00 0.00 O ATOM 532 CB ARG A 33 13.250 -4.289 13.738 1.00 0.00 C ATOM 533 CG ARG A 33 11.887 -4.761 14.201 1.00 0.00 C ATOM 534 CD ARG A 33 11.082 -3.634 14.832 1.00 0.00 C ATOM 535 NE ARG A 33 10.311 -4.088 15.990 1.00 0.00 N ATOM 536 CZ ARG A 33 10.856 -4.460 17.146 1.00 0.00 C ATOM 537 NH1 ARG A 33 12.174 -4.431 17.307 1.00 0.00 N ATOM 538 NH2 ARG A 33 10.084 -4.861 18.146 1.00 0.00 N ATOM 0 H ARG A 33 11.708 -3.471 11.778 1.00 0.00 H new ATOM 0 HA ARG A 33 14.547 -4.277 12.025 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.017 -4.843 14.280 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.367 -3.238 14.004 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.337 -5.170 13.354 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.008 -5.569 14.922 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.757 -2.834 15.138 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.405 -3.213 14.089 1.00 0.00 H new ATOM 0 HE ARG A 33 9.295 -4.121 15.906 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.775 -4.122 16.542 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.586 -4.717 18.195 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.071 -4.885 18.030 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.503 -5.146 19.031 1.00 0.00 H new ATOM 552 N GLY A 34 12.588 -5.987 10.599 1.00 0.00 N ATOM 553 CA GLY A 34 12.209 -7.288 10.096 1.00 0.00 C ATOM 554 C GLY A 34 11.107 -7.914 10.930 1.00 0.00 C ATOM 555 O GLY A 34 10.738 -7.376 11.975 1.00 0.00 O ATOM 0 H GLY A 34 12.397 -5.209 9.967 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.875 -7.195 9.063 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.079 -7.944 10.092 1.00 0.00 H new ATOM 559 N LYS A 35 10.571 -9.042 10.474 1.00 0.00 N ATOM 560 CA LYS A 35 9.497 -9.723 11.198 1.00 0.00 C ATOM 561 C LYS A 35 8.201 -8.921 11.105 1.00 0.00 C ATOM 562 O LYS A 35 7.203 -9.397 10.574 1.00 0.00 O ATOM 563 CB LYS A 35 9.881 -9.940 12.659 1.00 0.00 C ATOM 564 CG LYS A 35 9.006 -10.971 13.371 1.00 0.00 C ATOM 565 CD LYS A 35 8.610 -10.501 14.764 1.00 0.00 C ATOM 566 CE LYS A 35 7.815 -9.206 14.701 1.00 0.00 C ATOM 567 NZ LYS A 35 6.721 -9.182 15.713 1.00 0.00 N ATOM 0 H LYS A 35 10.859 -9.504 9.611 1.00 0.00 H new ATOM 0 HA LYS A 35 9.340 -10.698 10.736 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.921 -10.261 12.709 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.814 -8.990 13.189 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.109 -11.158 12.781 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.543 -11.917 13.444 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.017 -11.272 15.256 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.505 -10.353 15.369 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.483 -8.360 14.867 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.391 -9.087 13.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.201 -8.284 15.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.070 -9.974 15.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.128 -9.270 16.666 1.00 0.00 H new ATOM 581 N CYS A 36 8.233 -7.695 11.613 1.00 0.00 N ATOM 582 CA CYS A 36 7.058 -6.826 11.568 1.00 0.00 C ATOM 583 C CYS A 36 6.574 -6.661 10.128 1.00 0.00 C ATOM 584 O CYS A 36 5.413 -6.348 9.881 1.00 0.00 O ATOM 585 CB CYS A 36 7.391 -5.465 12.177 1.00 0.00 C ATOM 586 SG CYS A 36 6.012 -4.720 13.104 1.00 0.00 S ATOM 0 H CYS A 36 9.052 -7.280 12.058 1.00 0.00 H new ATOM 0 HA CYS A 36 6.259 -7.285 12.150 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.247 -5.574 12.843 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.691 -4.784 11.380 1.00 0.00 H new ATOM 591 N SER A 37 7.485 -6.885 9.171 1.00 0.00 N ATOM 592 CA SER A 37 7.145 -6.778 7.760 1.00 0.00 C ATOM 593 C SER A 37 6.180 -7.885 7.354 1.00 0.00 C ATOM 594 O SER A 37 5.032 -7.624 7.011 1.00 0.00 O ATOM 595 CB SER A 37 8.417 -6.827 6.904 1.00 0.00 C ATOM 596 OG SER A 37 9.515 -7.320 7.642 1.00 0.00 O ATOM 0 H SER A 37 8.456 -7.140 9.354 1.00 0.00 H new ATOM 0 HA SER A 37 6.651 -5.821 7.593 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.248 -7.461 6.034 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.646 -5.828 6.532 1.00 0.00 H new ATOM 0 HG SER A 37 10.311 -7.341 7.070 1.00 0.00 H new ATOM 602 N PRO A 38 6.632 -9.157 7.405 1.00 0.00 N ATOM 603 CA PRO A 38 5.784 -10.298 7.049 1.00 0.00 C ATOM 604 C PRO A 38 4.498 -10.312 7.857 1.00 0.00 C ATOM 605 O PRO A 38 3.487 -10.859 7.414 1.00 0.00 O ATOM 606 CB PRO A 38 6.652 -11.527 7.376 1.00 0.00 C ATOM 607 CG PRO A 38 7.778 -11.015 8.214 1.00 0.00 C ATOM 608 CD PRO A 38 7.979 -9.582 7.815 1.00 0.00 C ATOM 0 HA PRO A 38 5.471 -10.268 6.005 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.076 -12.281 7.912 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.024 -11.997 6.466 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.541 -11.094 9.275 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.684 -11.597 8.046 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.356 -8.982 8.643 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.697 -9.487 7.000 1.00 0.00 H new ATOM 616 N GLU A 39 4.532 -9.699 9.037 1.00 0.00 N ATOM 617 CA GLU A 39 3.359 -9.630 9.904 1.00 0.00 C ATOM 618 C GLU A 39 2.127 -9.185 9.107 1.00 0.00 C ATOM 619 O GLU A 39 0.995 -9.548 9.441 1.00 0.00 O ATOM 620 CB GLU A 39 3.606 -8.665 11.064 1.00 0.00 C ATOM 621 CG GLU A 39 3.820 -9.364 12.399 1.00 0.00 C ATOM 622 CD GLU A 39 2.759 -9.000 13.420 1.00 0.00 C ATOM 623 OE1 GLU A 39 2.930 -7.978 14.111 1.00 0.00 O ATOM 624 OE2 GLU A 39 1.760 -9.749 13.530 1.00 0.00 O ATOM 0 H GLU A 39 5.361 -9.242 9.416 1.00 0.00 H new ATOM 0 HA GLU A 39 3.175 -10.625 10.308 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.480 -8.054 10.838 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.757 -7.987 11.150 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.817 -10.443 12.245 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.802 -9.100 12.791 1.00 0.00 H new ATOM 631 N GLY A 40 2.355 -8.422 8.043 1.00 0.00 N ATOM 632 CA GLY A 40 1.267 -7.961 7.200 1.00 0.00 C ATOM 633 C GLY A 40 0.901 -9.011 6.168 1.00 0.00 C ATOM 634 O GLY A 40 0.811 -8.723 4.976 1.00 0.00 O ATOM 0 H GLY A 40 3.281 -8.113 7.748 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.397 -7.731 7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.556 -7.037 6.699 1.00 0.00 H new ATOM 638 N LYS A 41 0.695 -10.244 6.637 1.00 0.00 N ATOM 639 CA LYS A 41 0.366 -11.362 5.775 1.00 0.00 C ATOM 640 C LYS A 41 -0.628 -10.996 4.761 1.00 0.00 C ATOM 641 O LYS A 41 -0.518 -11.330 3.581 1.00 0.00 O ATOM 642 CB LYS A 41 -0.054 -12.547 6.624 1.00 0.00 C ATOM 643 CG LYS A 41 -0.011 -13.876 5.881 1.00 0.00 C ATOM 644 CD LYS A 41 -1.129 -14.790 6.307 1.00 0.00 C ATOM 645 CE LYS A 41 -0.836 -16.243 5.958 1.00 0.00 C ATOM 646 NZ LYS A 41 0.221 -16.792 6.779 1.00 0.00 N ATOM 0 H LYS A 41 0.754 -10.487 7.626 1.00 0.00 H new ATOM 0 HA LYS A 41 1.252 -11.654 5.211 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.597 -12.607 7.496 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.066 -12.379 6.992 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.078 -13.695 4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.947 -14.364 6.063 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.284 -14.699 7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.056 -14.480 5.824 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.741 -16.837 6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.554 -16.314 4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.168 -17.831 6.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.143 -16.487 6.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.112 -16.454 7.757 1.00 0.00 H new ATOM 660 N GLU A 42 -1.664 -10.312 5.212 1.00 0.00 N ATOM 661 CA GLU A 42 -2.744 -9.910 4.325 1.00 0.00 C ATOM 662 C GLU A 42 -2.225 -9.023 3.200 1.00 0.00 C ATOM 663 O GLU A 42 -2.548 -9.229 2.034 1.00 0.00 O ATOM 664 CB GLU A 42 -3.842 -9.187 5.105 1.00 0.00 C ATOM 665 CG GLU A 42 -5.251 -9.494 4.611 1.00 0.00 C ATOM 666 CD GLU A 42 -5.695 -10.898 4.945 1.00 0.00 C ATOM 667 OE1 GLU A 42 -5.511 -11.317 6.108 1.00 0.00 O ATOM 668 OE2 GLU A 42 -6.231 -11.596 4.053 1.00 0.00 O ATOM 0 H GLU A 42 -1.782 -10.023 6.183 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.167 -10.812 3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.768 -9.461 6.157 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.671 -8.112 5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.949 -8.782 5.052 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.291 -9.352 3.531 1.00 0.00 H new ATOM 675 N LEU A 43 -1.414 -8.044 3.564 1.00 0.00 N ATOM 676 CA LEU A 43 -0.849 -7.128 2.582 1.00 0.00 C ATOM 677 C LEU A 43 0.157 -7.828 1.743 1.00 0.00 C ATOM 678 O LEU A 43 0.407 -7.428 0.612 1.00 0.00 O ATOM 679 CB LEU A 43 -0.257 -5.898 3.273 1.00 0.00 C ATOM 680 CG LEU A 43 -1.118 -5.304 4.387 1.00 0.00 C ATOM 681 CD1 LEU A 43 -0.558 -5.663 5.752 1.00 0.00 C ATOM 682 CD2 LEU A 43 -1.224 -3.790 4.231 1.00 0.00 C ATOM 0 H LEU A 43 -1.132 -7.862 4.527 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.644 -6.780 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.714 -6.166 3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.080 -5.128 2.522 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.118 -5.730 4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.187 -5.229 6.529 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.539 -6.747 5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.455 -5.271 5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.841 -3.384 5.033 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.229 -3.349 4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.679 -3.554 3.269 1.00 0.00 H new ATOM 694 N LYS A 44 0.758 -8.861 2.296 1.00 0.00 N ATOM 695 CA LYS A 44 1.782 -9.596 1.565 1.00 0.00 C ATOM 696 C LYS A 44 1.158 -10.680 0.696 1.00 0.00 C ATOM 697 O LYS A 44 1.730 -11.085 -0.256 1.00 0.00 O ATOM 698 CB LYS A 44 2.820 -10.195 2.539 1.00 0.00 C ATOM 699 CG LYS A 44 2.531 -11.626 2.971 1.00 0.00 C ATOM 700 CD LYS A 44 3.437 -12.054 4.113 1.00 0.00 C ATOM 701 CE LYS A 44 4.823 -12.422 3.617 1.00 0.00 C ATOM 702 NZ LYS A 44 5.403 -13.561 4.383 1.00 0.00 N ATOM 0 H LYS A 44 0.563 -9.211 3.234 1.00 0.00 H new ATOM 0 HA LYS A 44 2.298 -8.898 0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.802 -10.163 2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.872 -9.565 3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.489 -11.711 3.280 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.668 -12.298 2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.513 -11.246 4.841 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.996 -12.907 4.628 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.773 -12.683 2.560 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.480 -11.556 3.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.350 -13.781 4.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.475 -13.303 5.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.790 -14.395 4.283 1.00 0.00 H new ATOM 716 N GLU A 45 0.010 -11.153 1.091 1.00 0.00 N ATOM 717 CA GLU A 45 -0.638 -12.176 0.349 1.00 0.00 C ATOM 718 C GLU A 45 -1.478 -11.542 -0.690 1.00 0.00 C ATOM 719 O GLU A 45 -1.722 -12.154 -1.720 1.00 0.00 O ATOM 720 CB GLU A 45 -1.522 -13.022 1.255 1.00 0.00 C ATOM 721 CG GLU A 45 -1.351 -14.518 1.048 1.00 0.00 C ATOM 722 CD GLU A 45 -2.669 -15.270 1.101 1.00 0.00 C ATOM 723 OE1 GLU A 45 -3.649 -14.789 0.494 1.00 0.00 O ATOM 724 OE2 GLU A 45 -2.720 -16.332 1.747 1.00 0.00 O ATOM 0 H GLU A 45 -0.490 -10.841 1.924 1.00 0.00 H new ATOM 0 HA GLU A 45 0.115 -12.822 -0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.300 -12.780 2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.565 -12.757 1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.874 -14.695 0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.681 -14.912 1.812 1.00 0.00 H new ATOM 731 N HIS A 46 -1.919 -10.306 -0.458 1.00 0.00 N ATOM 732 CA HIS A 46 -2.742 -9.605 -1.413 1.00 0.00 C ATOM 733 C HIS A 46 -2.052 -8.350 -1.951 1.00 0.00 C ATOM 734 O HIS A 46 -2.572 -7.694 -2.848 1.00 0.00 O ATOM 735 CB HIS A 46 -4.088 -9.224 -0.804 1.00 0.00 C ATOM 736 CG HIS A 46 -5.241 -9.329 -1.747 1.00 0.00 C ATOM 737 ND1 HIS A 46 -6.157 -10.356 -1.714 1.00 0.00 N ATOM 738 CD2 HIS A 46 -5.619 -8.523 -2.768 1.00 0.00 C ATOM 739 CE1 HIS A 46 -7.055 -10.182 -2.664 1.00 0.00 C ATOM 740 NE2 HIS A 46 -6.742 -9.074 -3.319 1.00 0.00 N ATOM 0 H HIS A 46 -1.713 -9.777 0.390 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.905 -10.290 -2.245 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.278 -9.865 0.057 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.029 -8.201 -0.433 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.126 -7.616 -3.086 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.896 -10.828 -2.871 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -7.258 -8.692 -4.111 1.00 0.00 H new ATOM 749 N LEU A 47 -0.883 -8.000 -1.403 1.00 0.00 N ATOM 750 CA LEU A 47 -0.173 -6.819 -1.851 1.00 0.00 C ATOM 751 C LEU A 47 1.263 -7.010 -1.773 1.00 0.00 C ATOM 752 O LEU A 47 1.955 -6.311 -1.035 1.00 0.00 O ATOM 753 CB LEU A 47 -0.600 -5.598 -1.018 1.00 0.00 C ATOM 754 CG LEU A 47 -1.306 -4.479 -1.791 1.00 0.00 C ATOM 755 CD1 LEU A 47 -0.347 -3.845 -2.773 1.00 0.00 C ATOM 756 CD2 LEU A 47 -2.532 -5.020 -2.503 1.00 0.00 C ATOM 0 H LEU A 47 -0.420 -8.518 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.430 -6.642 -2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.262 -5.938 -0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.286 -5.181 -0.539 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.635 -3.714 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.857 -3.051 -3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.503 -3.427 -2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.005 -4.600 -3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.022 -4.213 -3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.232 -5.800 -3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.224 -5.436 -1.771 1.00 0.00 H new ATOM 768 N GLN A 48 1.778 -7.952 -2.563 1.00 0.00 N ATOM 769 CA GLN A 48 3.211 -8.227 -2.608 1.00 0.00 C ATOM 770 C GLN A 48 3.689 -8.266 -4.051 1.00 0.00 C ATOM 771 O GLN A 48 4.610 -7.534 -4.443 1.00 0.00 O ATOM 772 CB GLN A 48 3.533 -9.556 -1.916 1.00 0.00 C ATOM 773 CG GLN A 48 5.021 -9.838 -1.802 1.00 0.00 C ATOM 774 CD GLN A 48 5.479 -9.990 -0.381 1.00 0.00 C ATOM 775 OE1 GLN A 48 5.058 -9.073 0.409 1.00 0.00 O flip ATOM 776 NE2 GLN A 48 6.208 -10.926 -0.060 1.00 0.00 N flip ATOM 0 H GLN A 48 1.220 -8.539 -3.183 1.00 0.00 H new ATOM 0 HA GLN A 48 3.730 -7.428 -2.079 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.095 -9.552 -0.918 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.059 -10.368 -2.468 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.257 -10.748 -2.354 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.577 -9.027 -2.273 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.494 -11.612 -0.758 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.526 -11.017 0.905 1.00 0.00 H new ATOM 785 N ASP A 49 3.042 -9.106 -4.852 1.00 0.00 N ATOM 786 CA ASP A 49 3.369 -9.236 -6.270 1.00 0.00 C ATOM 787 C ASP A 49 2.221 -8.702 -7.119 1.00 0.00 C ATOM 788 O ASP A 49 2.164 -8.919 -8.327 1.00 0.00 O ATOM 789 CB ASP A 49 3.648 -10.691 -6.624 1.00 0.00 C ATOM 790 CG ASP A 49 2.454 -11.592 -6.357 1.00 0.00 C ATOM 791 OD1 ASP A 49 1.476 -11.517 -7.127 1.00 0.00 O ATOM 792 OD2 ASP A 49 2.506 -12.377 -5.386 1.00 0.00 O ATOM 0 H ASP A 49 2.282 -9.712 -4.542 1.00 0.00 H new ATOM 0 HA ASP A 49 4.267 -8.653 -6.475 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.923 -10.760 -7.676 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.503 -11.045 -6.047 1.00 0.00 H new ATOM 797 N ALA A 50 1.299 -8.003 -6.459 1.00 0.00 N ATOM 798 CA ALA A 50 0.151 -7.432 -7.109 1.00 0.00 C ATOM 799 C ALA A 50 0.024 -5.954 -6.758 1.00 0.00 C ATOM 800 O ALA A 50 -0.905 -5.331 -7.135 1.00 0.00 O ATOM 801 CB ALA A 50 -1.029 -8.191 -6.659 1.00 0.00 C ATOM 0 H ALA A 50 1.340 -7.824 -5.456 1.00 0.00 H new ATOM 0 HA ALA A 50 0.245 -7.495 -8.193 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.924 -7.786 -7.132 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.915 -9.239 -6.936 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.123 -8.110 -5.576 1.00 0.00 H new ATOM 807 N ILE A 51 0.990 -5.422 -6.031 1.00 0.00 N ATOM 808 CA ILE A 51 1.021 -4.011 -5.583 1.00 0.00 C ATOM 809 C ILE A 51 -0.267 -3.322 -5.698 1.00 0.00 C ATOM 810 O ILE A 51 -0.343 -2.156 -6.084 1.00 0.00 O ATOM 811 CB ILE A 51 2.062 -3.177 -6.368 1.00 0.00 C ATOM 812 CG1 ILE A 51 2.958 -4.072 -7.227 1.00 0.00 C ATOM 813 CG2 ILE A 51 2.897 -2.339 -5.411 1.00 0.00 C ATOM 814 CD1 ILE A 51 3.805 -5.033 -6.423 1.00 0.00 C ATOM 0 H ILE A 51 1.800 -5.958 -5.720 1.00 0.00 H new ATOM 0 HA ILE A 51 1.291 -4.078 -4.529 1.00 0.00 H new ATOM 0 HB ILE A 51 1.523 -2.508 -7.039 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.334 -4.641 -7.917 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.612 -3.444 -7.832 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.625 -1.758 -5.977 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.246 -1.664 -4.856 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.419 -2.995 -4.714 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.414 -5.634 -7.098 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.455 -4.471 -5.752 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.158 -5.687 -5.838 1.00 0.00 H new ATOM 940 N GLU A 60 -9.441 0.051 -10.994 1.00 0.00 N ATOM 941 CA GLU A 60 -10.616 0.891 -10.929 1.00 0.00 C ATOM 942 C GLU A 60 -10.995 1.174 -9.483 1.00 0.00 C ATOM 943 O GLU A 60 -10.301 1.934 -8.809 1.00 0.00 O ATOM 944 CB GLU A 60 -11.790 0.287 -11.707 1.00 0.00 C ATOM 945 CG GLU A 60 -13.059 1.130 -11.652 1.00 0.00 C ATOM 946 CD GLU A 60 -13.695 1.313 -13.018 1.00 0.00 C ATOM 947 OE1 GLU A 60 -14.096 0.304 -13.627 1.00 0.00 O ATOM 948 OE2 GLU A 60 -13.788 2.469 -13.475 1.00 0.00 O ATOM 0 HA GLU A 60 -10.372 1.840 -11.407 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.496 0.157 -12.748 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.006 -0.705 -11.310 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.776 0.657 -10.981 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.824 2.107 -11.230 1.00 0.00 H new ATOM 955 N ASN A 61 -12.073 0.567 -8.983 1.00 0.00 N ATOM 956 CA ASN A 61 -12.469 0.792 -7.605 1.00 0.00 C ATOM 957 C ASN A 61 -11.278 0.547 -6.699 1.00 0.00 C ATOM 958 O ASN A 61 -10.984 1.322 -5.796 1.00 0.00 O ATOM 959 CB ASN A 61 -13.635 -0.067 -7.215 1.00 0.00 C ATOM 960 CG ASN A 61 -13.413 -1.477 -7.658 1.00 0.00 C ATOM 961 OD1 ASN A 61 -12.515 -2.163 -7.171 1.00 0.00 O ATOM 962 ND2 ASN A 61 -14.237 -1.944 -8.591 1.00 0.00 N ATOM 0 H ASN A 61 -12.673 -0.071 -9.506 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.796 1.826 -7.498 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.773 -0.036 -6.134 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.549 0.323 -7.664 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.137 -2.902 -8.927 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.970 -1.345 -8.971 1.00 0.00 H new ATOM 969 N GLN A 62 -10.563 -0.453 -6.985 1.00 0.00 N ATOM 970 CA GLN A 62 -9.372 -0.799 -6.230 1.00 0.00 C ATOM 971 C GLN A 62 -8.348 0.231 -6.380 1.00 0.00 C ATOM 972 O GLN A 62 -7.611 0.531 -5.446 1.00 0.00 O ATOM 973 CB GLN A 62 -8.782 -2.134 -6.715 1.00 0.00 C ATOM 974 CG GLN A 62 -8.976 -2.394 -8.202 1.00 0.00 C ATOM 975 CD GLN A 62 -7.781 -3.085 -8.828 1.00 0.00 C ATOM 976 OE1 GLN A 62 -6.647 -2.948 -8.366 1.00 0.00 O ATOM 977 NE2 GLN A 62 -8.031 -3.838 -9.897 1.00 0.00 N ATOM 0 H GLN A 62 -10.764 -1.087 -7.758 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.667 -0.883 -5.184 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.716 -2.151 -6.490 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.240 -2.947 -6.152 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.865 -3.008 -8.348 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.154 -1.448 -8.713 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.985 -3.925 -10.248 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.269 -4.328 -10.365 1.00 0.00 H new ATOM 986 N GLU A 63 -8.325 0.853 -7.559 1.00 0.00 N ATOM 987 CA GLU A 63 -7.408 1.937 -7.813 1.00 0.00 C ATOM 988 C GLU A 63 -7.681 3.091 -6.862 1.00 0.00 C ATOM 989 O GLU A 63 -6.789 3.873 -6.546 1.00 0.00 O ATOM 990 CB GLU A 63 -7.547 2.400 -9.261 1.00 0.00 C ATOM 991 CG GLU A 63 -6.250 2.912 -9.864 1.00 0.00 C ATOM 992 CD GLU A 63 -6.465 4.041 -10.846 1.00 0.00 C ATOM 993 OE1 GLU A 63 -7.107 3.803 -11.895 1.00 0.00 O ATOM 994 OE2 GLU A 63 -5.994 5.165 -10.572 1.00 0.00 O ATOM 0 H GLU A 63 -8.933 0.618 -8.343 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.389 1.587 -7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.916 1.571 -9.865 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.297 3.189 -9.311 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.593 3.253 -9.064 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.740 2.091 -10.368 1.00 0.00 H new ATOM 1001 N LYS A 64 -8.932 3.210 -6.411 1.00 0.00 N ATOM 1002 CA LYS A 64 -9.294 4.282 -5.512 1.00 0.00 C ATOM 1003 C LYS A 64 -8.799 4.034 -4.098 1.00 0.00 C ATOM 1004 O LYS A 64 -7.950 4.769 -3.601 1.00 0.00 O ATOM 1005 CB LYS A 64 -10.817 4.482 -5.506 1.00 0.00 C ATOM 1006 CG LYS A 64 -11.425 4.538 -6.904 1.00 0.00 C ATOM 1007 CD LYS A 64 -12.629 5.465 -6.943 1.00 0.00 C ATOM 1008 CE LYS A 64 -13.801 4.885 -6.164 1.00 0.00 C ATOM 1009 NZ LYS A 64 -15.091 5.513 -6.565 1.00 0.00 N ATOM 0 H LYS A 64 -9.696 2.580 -6.656 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.809 5.187 -5.878 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.281 3.668 -4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.053 5.406 -4.978 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.675 4.882 -7.616 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.724 3.537 -7.214 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.357 6.435 -6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.926 5.635 -7.978 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.852 3.809 -6.330 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.639 5.035 -5.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.867 5.094 -6.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.050 6.536 -6.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.257 5.348 -7.578 1.00 0.00 H new ATOM 1023 N GLY A 65 -9.319 3.012 -3.440 1.00 0.00 N ATOM 1024 CA GLY A 65 -8.891 2.712 -2.082 1.00 0.00 C ATOM 1025 C GLY A 65 -7.392 2.580 -1.973 1.00 0.00 C ATOM 1026 O GLY A 65 -6.810 2.973 -0.969 1.00 0.00 O ATOM 0 H GLY A 65 -10.028 2.383 -3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.234 3.500 -1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.361 1.786 -1.751 1.00 0.00 H new ATOM 1030 N ALA A 66 -6.761 2.039 -3.000 1.00 0.00 N ATOM 1031 CA ALA A 66 -5.324 1.881 -2.983 1.00 0.00 C ATOM 1032 C ALA A 66 -4.632 3.222 -3.222 1.00 0.00 C ATOM 1033 O ALA A 66 -3.885 3.692 -2.366 1.00 0.00 O ATOM 1034 CB ALA A 66 -4.872 0.847 -3.993 1.00 0.00 C ATOM 0 H ALA A 66 -7.219 1.705 -3.848 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.037 1.521 -1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.787 0.752 -3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.329 -0.114 -3.759 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.174 1.159 -4.993 1.00 0.00 H new ATOM 1040 N TYR A 67 -4.897 3.850 -4.372 1.00 0.00 N ATOM 1041 CA TYR A 67 -4.272 5.136 -4.662 1.00 0.00 C ATOM 1042 C TYR A 67 -4.511 6.094 -3.505 1.00 0.00 C ATOM 1043 O TYR A 67 -3.572 6.712 -2.995 1.00 0.00 O ATOM 1044 CB TYR A 67 -4.792 5.736 -5.970 1.00 0.00 C ATOM 1045 CG TYR A 67 -3.763 6.569 -6.702 1.00 0.00 C ATOM 1046 CD1 TYR A 67 -2.966 7.479 -6.028 1.00 0.00 C ATOM 1047 CD2 TYR A 67 -3.605 6.449 -8.079 1.00 0.00 C ATOM 1048 CE1 TYR A 67 -2.028 8.247 -6.697 1.00 0.00 C ATOM 1049 CE2 TYR A 67 -2.667 7.215 -8.755 1.00 0.00 C ATOM 1050 CZ TYR A 67 -1.882 8.105 -8.060 1.00 0.00 C ATOM 1051 OH TYR A 67 -0.955 8.865 -8.729 1.00 0.00 O ATOM 0 H TYR A 67 -5.523 3.498 -5.097 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.201 4.973 -4.783 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.126 4.930 -6.623 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.663 6.355 -5.756 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.078 7.592 -4.960 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.220 5.751 -8.628 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.415 8.952 -6.155 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.553 7.113 -9.824 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.382 8.282 -9.270 1.00 0.00 H new ATOM 1061 N ARG A 68 -5.750 6.175 -3.052 1.00 0.00 N ATOM 1062 CA ARG A 68 -6.079 7.035 -1.927 1.00 0.00 C ATOM 1063 C ARG A 68 -5.116 6.759 -0.783 1.00 0.00 C ATOM 1064 O ARG A 68 -4.627 7.686 -0.142 1.00 0.00 O ATOM 1065 CB ARG A 68 -7.524 6.788 -1.473 1.00 0.00 C ATOM 1066 CG ARG A 68 -8.139 7.974 -0.756 1.00 0.00 C ATOM 1067 CD ARG A 68 -9.657 7.924 -0.806 1.00 0.00 C ATOM 1068 NE ARG A 68 -10.157 7.905 -2.172 1.00 0.00 N ATOM 1069 CZ ARG A 68 -11.417 7.618 -2.496 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -12.305 7.319 -1.556 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -11.794 7.626 -3.775 1.00 0.00 N ATOM 0 H ARG A 68 -6.540 5.660 -3.442 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.988 8.077 -2.233 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.134 6.542 -2.343 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.547 5.921 -0.812 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.808 7.986 0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.788 8.899 -1.213 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.008 7.037 -0.279 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.066 8.788 -0.282 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.505 8.124 -2.925 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -12.025 7.308 -0.575 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -13.267 7.101 -1.814 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.118 7.852 -4.505 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.759 7.406 -4.024 1.00 0.00 H new ATOM 1085 N VAL A 69 -4.817 5.483 -0.581 1.00 0.00 N ATOM 1086 CA VAL A 69 -3.895 5.093 0.397 1.00 0.00 C ATOM 1087 C VAL A 69 -2.453 5.389 0.020 1.00 0.00 C ATOM 1088 O VAL A 69 -1.616 5.648 0.857 1.00 0.00 O ATOM 1089 CB VAL A 69 -4.047 3.608 0.754 1.00 0.00 C ATOM 1090 CG1 VAL A 69 -2.988 3.169 1.757 1.00 0.00 C ATOM 1091 CG2 VAL A 69 -5.450 3.331 1.292 1.00 0.00 C ATOM 0 H VAL A 69 -5.225 4.711 -1.108 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.129 5.699 1.273 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.902 3.026 -0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.123 2.113 1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.997 3.323 1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.086 3.757 2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.542 2.274 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.622 3.930 2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.188 3.591 0.534 1.00 0.00 H new ATOM 1101 N ILE A 70 -2.169 5.363 -1.216 1.00 0.00 N ATOM 1102 CA ILE A 70 -0.815 5.644 -1.666 1.00 0.00 C ATOM 1103 C ILE A 70 -0.556 7.142 -1.653 1.00 0.00 C ATOM 1104 O ILE A 70 0.466 7.583 -1.334 1.00 0.00 O ATOM 1105 CB ILE A 70 -0.504 5.053 -3.066 1.00 0.00 C ATOM 1106 CG1 ILE A 70 0.912 4.834 -3.196 1.00 0.00 C ATOM 1107 CG2 ILE A 70 -0.998 5.964 -4.184 1.00 0.00 C ATOM 1108 CD1 ILE A 70 1.407 3.580 -2.506 1.00 0.00 C ATOM 0 H ILE A 70 -2.835 5.153 -1.959 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.143 5.151 -0.964 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.032 4.104 -3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.165 4.778 -4.255 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.441 5.695 -2.787 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.762 5.516 -5.149 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.077 6.093 -4.098 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.509 6.935 -4.105 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.483 3.486 -2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.188 3.641 -1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.907 2.710 -2.931 1.00 0.00 H new ATOM 1120 N GLU A 71 -1.584 7.915 -1.981 1.00 0.00 N ATOM 1121 CA GLU A 71 -1.472 9.353 -1.974 1.00 0.00 C ATOM 1122 C GLU A 71 -1.370 9.845 -0.549 1.00 0.00 C ATOM 1123 O GLU A 71 -0.629 10.785 -0.254 1.00 0.00 O ATOM 1124 CB GLU A 71 -2.671 10.008 -2.666 1.00 0.00 C ATOM 1125 CG GLU A 71 -3.999 9.672 -2.013 1.00 0.00 C ATOM 1126 CD GLU A 71 -5.168 10.379 -2.668 1.00 0.00 C ATOM 1127 OE1 GLU A 71 -5.561 9.972 -3.775 1.00 0.00 O ATOM 1128 OE2 GLU A 71 -5.678 11.348 -2.074 1.00 0.00 O ATOM 0 H GLU A 71 -2.501 7.562 -2.254 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.573 9.629 -2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.536 11.090 -2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.697 9.692 -3.709 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.159 8.595 -2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.960 9.944 -0.958 1.00 0.00 H new ATOM 1135 N HIS A 72 -2.103 9.188 0.269 1.00 0.00 N ATOM 1136 CA HIS A 72 -2.067 9.561 1.664 1.00 0.00 C ATOM 1137 C HIS A 72 -0.702 9.244 2.254 1.00 0.00 C ATOM 1138 O HIS A 72 -0.073 10.086 2.891 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.176 8.844 2.440 1.00 0.00 C ATOM 1140 CG HIS A 72 -3.132 9.094 3.918 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -4.209 9.579 4.632 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -2.132 8.928 4.809 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -3.861 9.700 5.905 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -2.606 9.313 6.034 1.00 0.00 N ATOM 0 H HIS A 72 -2.721 8.413 0.027 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.238 10.634 1.746 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.144 9.165 2.054 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.100 7.772 2.259 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -5.124 9.807 4.243 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.140 8.559 4.595 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -4.497 10.055 6.702 1.00 0.00 H new ATOM 1153 N LEU A 73 -0.233 8.015 2.021 1.00 0.00 N ATOM 1154 CA LEU A 73 0.989 7.593 2.520 1.00 0.00 C ATOM 1155 C LEU A 73 2.087 8.401 1.848 1.00 0.00 C ATOM 1156 O LEU A 73 3.054 8.822 2.503 1.00 0.00 O ATOM 1157 CB LEU A 73 1.188 6.103 2.251 1.00 0.00 C ATOM 1158 CG LEU A 73 0.553 5.170 3.283 1.00 0.00 C ATOM 1159 CD1 LEU A 73 0.029 3.924 2.603 1.00 0.00 C ATOM 1160 CD2 LEU A 73 1.565 4.788 4.348 1.00 0.00 C ATOM 0 H LEU A 73 -0.728 7.312 1.471 1.00 0.00 H new ATOM 0 HA LEU A 73 1.021 7.747 3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.777 5.868 1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.257 5.897 2.206 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.276 5.694 3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.421 3.266 3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.721 4.202 1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.851 3.405 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.096 4.124 5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.409 4.279 3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.918 5.687 4.854 1.00 0.00 H new ATOM 1172 N ILE A 74 1.942 8.625 0.543 1.00 0.00 N ATOM 1173 CA ILE A 74 2.916 9.382 -0.150 1.00 0.00 C ATOM 1174 C ILE A 74 3.228 10.693 0.483 1.00 0.00 C ATOM 1175 O ILE A 74 4.395 11.017 0.730 1.00 0.00 O ATOM 1176 CB ILE A 74 2.415 9.646 -1.591 1.00 0.00 C ATOM 1177 CG1 ILE A 74 3.043 8.650 -2.563 1.00 0.00 C ATOM 1178 CG2 ILE A 74 2.698 11.073 -2.049 1.00 0.00 C ATOM 1179 CD1 ILE A 74 2.088 8.173 -3.642 1.00 0.00 C ATOM 0 H ILE A 74 1.164 8.289 -0.025 1.00 0.00 H new ATOM 0 HA ILE A 74 3.833 8.793 -0.132 1.00 0.00 H new ATOM 0 HB ILE A 74 1.333 9.513 -1.584 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.910 9.112 -3.035 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.406 7.788 -2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.328 11.209 -3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.196 11.775 -1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.772 11.256 -2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.601 7.468 -4.296 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.232 7.682 -3.179 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.744 9.026 -4.227 1.00 0.00 H new ATOM 1191 N LYS A 75 2.184 11.435 0.842 1.00 0.00 N ATOM 1192 CA LYS A 75 2.352 12.692 1.540 1.00 0.00 C ATOM 1193 C LYS A 75 2.539 12.441 3.040 1.00 0.00 C ATOM 1194 O LYS A 75 3.142 13.246 3.734 1.00 0.00 O ATOM 1195 CB LYS A 75 1.148 13.613 1.273 1.00 0.00 C ATOM 1196 CG LYS A 75 0.335 13.982 2.511 1.00 0.00 C ATOM 1197 CD LYS A 75 1.050 15.006 3.373 1.00 0.00 C ATOM 1198 CE LYS A 75 0.138 16.171 3.742 1.00 0.00 C ATOM 1199 NZ LYS A 75 0.578 16.855 4.982 1.00 0.00 N ATOM 0 H LYS A 75 1.214 11.181 0.658 1.00 0.00 H new ATOM 0 HA LYS A 75 3.246 13.192 1.168 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.507 14.530 0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.488 13.126 0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.633 14.378 2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.141 13.085 3.099 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.413 14.526 4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.924 15.383 2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.117 16.888 2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.881 15.806 3.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.071 17.640 5.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.574 16.179 5.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.540 17.227 4.850 1.00 0.00 H new ATOM 1213 N ASN A 76 2.042 11.305 3.515 1.00 0.00 N ATOM 1214 CA ASN A 76 2.177 10.945 4.923 1.00 0.00 C ATOM 1215 C ASN A 76 3.633 11.060 5.338 1.00 0.00 C ATOM 1216 O ASN A 76 3.950 11.660 6.363 1.00 0.00 O ATOM 1217 CB ASN A 76 1.682 9.519 5.167 1.00 0.00 C ATOM 1218 CG ASN A 76 1.635 9.171 6.644 1.00 0.00 C ATOM 1219 OD1 ASN A 76 2.629 8.748 7.228 1.00 0.00 O ATOM 1220 ND2 ASN A 76 0.466 9.359 7.251 1.00 0.00 N ATOM 0 H ASN A 76 1.543 10.619 2.949 1.00 0.00 H new ATOM 0 HA ASN A 76 1.570 11.628 5.518 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.687 9.403 4.737 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.336 8.816 4.651 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.368 9.149 8.244 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.332 9.713 6.723 1.00 0.00 H new ATOM 1227 N GLU A 77 4.519 10.503 4.515 1.00 0.00 N ATOM 1228 CA GLU A 77 5.949 10.573 4.792 1.00 0.00 C ATOM 1229 C GLU A 77 6.780 9.869 3.735 1.00 0.00 C ATOM 1230 O GLU A 77 7.842 9.328 4.018 1.00 0.00 O ATOM 1231 CB GLU A 77 6.259 9.990 6.176 1.00 0.00 C ATOM 1232 CG GLU A 77 6.479 11.045 7.249 1.00 0.00 C ATOM 1233 CD GLU A 77 7.935 11.206 7.624 1.00 0.00 C ATOM 1234 OE1 GLU A 77 8.764 11.426 6.713 1.00 0.00 O ATOM 1235 OE2 GLU A 77 8.257 11.112 8.824 1.00 0.00 O ATOM 0 H GLU A 77 4.274 10.004 3.660 1.00 0.00 H new ATOM 0 HA GLU A 77 6.222 11.628 4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.437 9.342 6.480 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.149 9.365 6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.092 12.001 6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.907 10.777 8.138 1.00 0.00 H new ATOM 1242 N ILE A 78 6.292 9.920 2.497 1.00 0.00 N ATOM 1243 CA ILE A 78 6.990 9.318 1.353 1.00 0.00 C ATOM 1244 C ILE A 78 7.691 8.018 1.742 1.00 0.00 C ATOM 1245 O ILE A 78 8.711 7.653 1.157 1.00 0.00 O ATOM 1246 CB ILE A 78 7.996 10.324 0.758 1.00 0.00 C ATOM 1247 CG1 ILE A 78 8.034 10.196 -0.680 1.00 0.00 C ATOM 1248 CG2 ILE A 78 9.390 10.167 1.366 1.00 0.00 C ATOM 1249 CD1 ILE A 78 8.716 8.946 -1.171 1.00 0.00 C ATOM 0 H ILE A 78 5.411 10.374 2.256 1.00 0.00 H new ATOM 0 HA ILE A 78 6.246 9.071 0.596 1.00 0.00 H new ATOM 0 HB ILE A 78 7.656 11.328 1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.013 10.214 -1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.546 11.063 -1.097 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.066 10.895 0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.338 10.333 2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.760 9.160 1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.701 8.928 -2.261 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.748 8.934 -0.822 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.192 8.071 -0.786 1.00 0.00 H new ATOM 1261 N GLU A 79 7.131 7.319 2.722 1.00 0.00 N ATOM 1262 CA GLU A 79 7.705 6.070 3.175 1.00 0.00 C ATOM 1263 C GLU A 79 7.280 4.925 2.267 1.00 0.00 C ATOM 1264 O GLU A 79 7.820 3.827 2.352 1.00 0.00 O ATOM 1265 CB GLU A 79 7.295 5.792 4.619 1.00 0.00 C ATOM 1266 CG GLU A 79 5.797 5.916 4.859 1.00 0.00 C ATOM 1267 CD GLU A 79 5.345 5.209 6.124 1.00 0.00 C ATOM 1268 OE1 GLU A 79 6.202 4.962 6.997 1.00 0.00 O ATOM 1269 OE2 GLU A 79 4.148 4.899 6.226 1.00 0.00 O ATOM 0 H GLU A 79 6.282 7.600 3.213 1.00 0.00 H new ATOM 0 HA GLU A 79 8.791 6.152 3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.617 4.787 4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.819 6.485 5.277 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.530 6.971 4.922 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.261 5.502 4.005 1.00 0.00 H new ATOM 1276 N ILE A 80 6.307 5.187 1.402 1.00 0.00 N ATOM 1277 CA ILE A 80 5.811 4.174 0.481 1.00 0.00 C ATOM 1278 C ILE A 80 6.952 3.539 -0.223 1.00 0.00 C ATOM 1279 O ILE A 80 7.196 2.336 -0.113 1.00 0.00 O ATOM 1280 CB ILE A 80 4.799 4.787 -0.432 1.00 0.00 C ATOM 1281 CG1 ILE A 80 3.616 5.389 0.236 1.00 0.00 C ATOM 1282 CG2 ILE A 80 4.311 3.742 -1.428 1.00 0.00 C ATOM 1283 CD1 ILE A 80 2.554 5.932 -0.603 1.00 0.00 C ATOM 0 H ILE A 80 5.846 6.093 1.320 1.00 0.00 H new ATOM 0 HA ILE A 80 5.300 3.373 1.016 1.00 0.00 H new ATOM 0 HB ILE A 80 5.323 5.611 -0.917 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.175 4.629 0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.971 6.190 0.884 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.573 4.190 -2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.154 3.377 -2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.856 2.910 -0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.762 6.335 0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.957 6.727 -1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.148 5.141 -1.234 1.00 0.00 H new ATOM 1295 N TRP A 81 7.634 4.345 -1.025 1.00 0.00 N ATOM 1296 CA TRP A 81 8.741 3.843 -1.842 1.00 0.00 C ATOM 1297 C TRP A 81 9.721 3.024 -1.008 1.00 0.00 C ATOM 1298 O TRP A 81 10.380 2.126 -1.525 1.00 0.00 O ATOM 1299 CB TRP A 81 9.448 5.002 -2.539 1.00 0.00 C ATOM 1300 CG TRP A 81 8.505 5.923 -3.238 1.00 0.00 C ATOM 1301 CD1 TRP A 81 8.742 7.225 -3.582 1.00 0.00 C ATOM 1302 CD2 TRP A 81 7.173 5.624 -3.684 1.00 0.00 C ATOM 1303 NE1 TRP A 81 7.635 7.760 -4.192 1.00 0.00 N ATOM 1304 CE2 TRP A 81 6.662 6.799 -4.273 1.00 0.00 C ATOM 1305 CE3 TRP A 81 6.365 4.486 -3.641 1.00 0.00 C ATOM 1306 CZ2 TRP A 81 5.378 6.853 -4.816 1.00 0.00 C ATOM 1307 CZ3 TRP A 81 5.096 4.550 -4.180 1.00 0.00 C ATOM 1308 CH2 TRP A 81 4.611 5.723 -4.758 1.00 0.00 C ATOM 0 H TRP A 81 7.446 5.342 -1.130 1.00 0.00 H new ATOM 0 HA TRP A 81 8.330 3.179 -2.603 1.00 0.00 H new ATOM 0 HB2 TRP A 81 10.021 5.567 -1.803 1.00 0.00 H new ATOM 0 HB3 TRP A 81 10.161 4.604 -3.261 1.00 0.00 H new ATOM 0 HD1 TRP A 81 9.665 7.755 -3.400 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.550 8.718 -4.530 1.00 0.00 H new ATOM 0 HE3 TRP A 81 6.727 3.572 -3.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.002 7.759 -5.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 4.465 3.674 -4.154 1.00 0.00 H new ATOM 0 HH2 TRP A 81 3.612 5.739 -5.167 1.00 0.00 H new ATOM 1319 N ARG A 82 9.788 3.315 0.204 1.00 0.00 N ATOM 1320 CA ARG A 82 10.677 2.582 1.097 1.00 0.00 C ATOM 1321 C ARG A 82 10.240 1.116 1.180 1.00 0.00 C ATOM 1322 O ARG A 82 11.069 0.216 1.111 1.00 0.00 O ATOM 1323 CB ARG A 82 10.682 3.210 2.490 1.00 0.00 C ATOM 1324 CG ARG A 82 12.058 3.635 2.963 1.00 0.00 C ATOM 1325 CD ARG A 82 12.279 5.125 2.784 1.00 0.00 C ATOM 1326 NE ARG A 82 13.048 5.696 3.882 1.00 0.00 N ATOM 1327 CZ ARG A 82 14.326 5.409 4.127 1.00 0.00 C ATOM 1328 NH1 ARG A 82 14.980 4.556 3.349 1.00 0.00 N ATOM 1329 NH2 ARG A 82 14.957 5.981 5.148 1.00 0.00 N ATOM 0 H ARG A 82 9.249 4.058 0.650 1.00 0.00 H new ATOM 0 HA ARG A 82 11.689 2.631 0.696 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.024 4.079 2.489 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.267 2.496 3.202 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.178 3.373 4.014 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.819 3.085 2.409 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.801 5.304 1.844 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.315 5.629 2.715 1.00 0.00 H new ATOM 0 HE ARG A 82 12.579 6.357 4.502 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.505 4.118 2.560 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.958 4.339 3.540 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.463 6.642 5.747 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.935 5.759 5.332 1.00 0.00 H new ATOM 1343 N GLU A 83 8.937 0.902 1.325 1.00 0.00 N ATOM 1344 CA GLU A 83 8.392 -0.357 1.401 1.00 0.00 C ATOM 1345 C GLU A 83 8.203 -0.941 0.034 1.00 0.00 C ATOM 1346 O GLU A 83 8.286 -2.154 -0.111 1.00 0.00 O ATOM 1347 CB GLU A 83 7.061 -0.361 2.161 1.00 0.00 C ATOM 1348 CG GLU A 83 6.103 0.652 1.725 1.00 0.00 C ATOM 1349 CD GLU A 83 4.706 0.467 2.294 1.00 0.00 C ATOM 1350 OE1 GLU A 83 4.585 -0.080 3.366 1.00 0.00 O ATOM 1351 OE2 GLU A 83 3.745 0.949 1.670 1.00 0.00 O ATOM 0 H GLU A 83 8.250 1.653 1.390 1.00 0.00 H new ATOM 0 HA GLU A 83 9.097 -0.975 1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.602 -1.344 2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.264 -0.216 3.222 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.474 1.636 2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.046 0.639 0.637 1.00 0.00 H new ATOM 1358 N LEU A 84 7.984 -0.063 -0.878 1.00 0.00 N ATOM 1359 CA LEU A 84 7.800 -0.476 -2.258 1.00 0.00 C ATOM 1360 C LEU A 84 9.138 -0.905 -2.864 1.00 0.00 C ATOM 1361 O LEU A 84 9.172 -1.684 -3.815 1.00 0.00 O ATOM 1362 CB LEU A 84 7.186 0.579 -3.076 1.00 0.00 C ATOM 1363 CG LEU A 84 5.663 0.702 -3.001 1.00 0.00 C ATOM 1364 CD1 LEU A 84 4.995 -0.213 -3.930 1.00 0.00 C ATOM 1365 CD2 LEU A 84 5.168 0.510 -1.570 1.00 0.00 C ATOM 0 H LEU A 84 7.925 0.942 -0.715 1.00 0.00 H new ATOM 0 HA LEU A 84 7.115 -1.324 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.620 1.535 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.464 0.409 -4.116 1.00 0.00 H new ATOM 0 HG LEU A 84 5.401 1.714 -3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.915 -0.094 -3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.306 0.013 -4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.267 -1.240 -3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.082 0.602 -1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.456 -0.479 -1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.612 1.270 -0.927 1.00 0.00 H new ATOM 1377 N THR A 85 10.231 -0.406 -2.305 1.00 0.00 N ATOM 1378 CA THR A 85 11.559 -0.766 -2.788 1.00 0.00 C ATOM 1379 C THR A 85 11.980 -2.109 -2.203 1.00 0.00 C ATOM 1380 O THR A 85 12.609 -2.924 -2.884 1.00 0.00 O ATOM 1381 CB THR A 85 12.582 0.251 -2.432 1.00 0.00 C ATOM 1382 OG1 THR A 85 13.834 0.000 -3.030 1.00 0.00 O ATOM 1383 CG2 THR A 85 12.806 0.423 -0.949 1.00 0.00 C ATOM 0 H THR A 85 10.227 0.246 -1.521 1.00 0.00 H new ATOM 0 HA THR A 85 11.497 -0.823 -3.875 1.00 0.00 H new ATOM 0 HB THR A 85 12.154 1.173 -2.825 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.469 0.698 -2.765 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.568 1.184 -0.782 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.875 0.731 -0.474 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.137 -0.522 -0.519 1.00 0.00 H new ATOM 1391 N ALA A 86 11.630 -2.338 -0.941 1.00 0.00 N ATOM 1392 CA ALA A 86 11.958 -3.592 -0.268 1.00 0.00 C ATOM 1393 C ALA A 86 11.042 -4.711 -0.763 1.00 0.00 C ATOM 1394 O ALA A 86 11.454 -5.871 -0.849 1.00 0.00 O ATOM 1395 CB ALA A 86 11.840 -3.432 1.151 1.00 0.00 C ATOM 0 H ALA A 86 11.119 -1.671 -0.363 1.00 0.00 H new ATOM 0 HA ALA A 86 12.988 -3.863 -0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.086 -4.372 1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.526 -2.655 1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 86 10.818 -3.148 1.401 1.00 0.00 H new ATOM 1401 N LYS A 87 9.814 -4.343 -1.101 1.00 0.00 N ATOM 1402 CA LYS A 87 8.830 -5.288 -1.608 1.00 0.00 C ATOM 1403 C LYS A 87 7.968 -4.600 -2.655 1.00 0.00 C ATOM 1404 O LYS A 87 7.875 -3.376 -2.681 1.00 0.00 O ATOM 1405 CB LYS A 87 7.957 -5.808 -0.468 1.00 0.00 C ATOM 1406 CG LYS A 87 8.706 -6.701 0.428 1.00 0.00 C ATOM 1407 CD LYS A 87 8.169 -6.548 1.840 1.00 0.00 C ATOM 1408 CE LYS A 87 6.733 -7.042 1.948 1.00 0.00 C ATOM 1409 NZ LYS A 87 5.934 -6.229 2.904 1.00 0.00 N ATOM 0 H LYS A 87 9.473 -3.384 -1.032 1.00 0.00 H new ATOM 0 HA LYS A 87 9.345 -6.136 -2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.564 -4.966 0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.100 -6.341 -0.880 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.607 -7.735 0.098 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.768 -6.458 0.401 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.800 -7.106 2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.218 -5.500 2.137 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.264 -7.010 0.965 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.731 -8.084 2.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.020 -6.695 3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.452 -6.139 3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.770 -5.283 2.503 1.00 0.00 H new ATOM 1423 N TYR A 88 7.340 -5.382 -3.530 1.00 0.00 N ATOM 1424 CA TYR A 88 6.500 -4.820 -4.597 1.00 0.00 C ATOM 1425 C TYR A 88 7.352 -4.239 -5.715 1.00 0.00 C ATOM 1426 O TYR A 88 6.822 -3.714 -6.699 1.00 0.00 O ATOM 1427 CB TYR A 88 5.565 -3.740 -4.028 1.00 0.00 C ATOM 1428 CG TYR A 88 5.144 -3.968 -2.592 1.00 0.00 C ATOM 1429 CD1 TYR A 88 4.902 -5.248 -2.113 1.00 0.00 C ATOM 1430 CD2 TYR A 88 4.991 -2.896 -1.721 1.00 0.00 C ATOM 1431 CE1 TYR A 88 4.519 -5.456 -0.806 1.00 0.00 C ATOM 1432 CE2 TYR A 88 4.607 -3.100 -0.414 1.00 0.00 C ATOM 1433 CZ TYR A 88 4.371 -4.376 0.000 1.00 0.00 C ATOM 1434 OH TYR A 88 3.994 -4.583 1.269 1.00 0.00 O ATOM 0 H TYR A 88 7.393 -6.401 -3.526 1.00 0.00 H new ATOM 0 HA TYR A 88 5.897 -5.628 -5.012 1.00 0.00 H new ATOM 0 HB2 TYR A 88 6.063 -2.773 -4.098 1.00 0.00 H new ATOM 0 HB3 TYR A 88 4.672 -3.685 -4.651 1.00 0.00 H new ATOM 0 HD1 TYR A 88 5.016 -6.094 -2.775 1.00 0.00 H new ATOM 0 HD2 TYR A 88 5.175 -1.892 -2.073 1.00 0.00 H new ATOM 0 HE1 TYR A 88 4.341 -6.454 -0.433 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.496 -2.268 0.266 1.00 0.00 H new ATOM 0 HH TYR A 88 3.927 -3.723 1.735 1.00 0.00 H new ATOM 1444 N ASP A 89 8.676 -4.336 -5.574 1.00 0.00 N ATOM 1445 CA ASP A 89 9.594 -3.820 -6.577 1.00 0.00 C ATOM 1446 C ASP A 89 9.519 -4.650 -7.862 1.00 0.00 C ATOM 1447 O ASP A 89 9.174 -4.127 -8.920 1.00 0.00 O ATOM 1448 CB ASP A 89 11.031 -3.824 -6.041 1.00 0.00 C ATOM 1449 CG ASP A 89 11.717 -2.484 -6.229 1.00 0.00 C ATOM 1450 OD1 ASP A 89 11.014 -1.451 -6.249 1.00 0.00 O ATOM 1451 OD2 ASP A 89 12.962 -2.468 -6.350 1.00 0.00 O ATOM 0 H ASP A 89 9.132 -4.769 -4.771 1.00 0.00 H new ATOM 0 HA ASP A 89 9.301 -2.795 -6.805 1.00 0.00 H new ATOM 0 HB2 ASP A 89 11.021 -4.079 -4.981 1.00 0.00 H new ATOM 0 HB3 ASP A 89 11.605 -4.598 -6.550 1.00 0.00 H new ATOM 1456 N PRO A 90 9.832 -5.957 -7.778 1.00 0.00 N ATOM 1457 CA PRO A 90 9.797 -6.850 -8.940 1.00 0.00 C ATOM 1458 C PRO A 90 8.530 -6.651 -9.769 1.00 0.00 C ATOM 1459 O PRO A 90 8.553 -6.799 -10.998 1.00 0.00 O ATOM 1460 CB PRO A 90 9.828 -8.256 -8.327 1.00 0.00 C ATOM 1461 CG PRO A 90 9.765 -8.066 -6.844 1.00 0.00 C ATOM 1462 CD PRO A 90 10.256 -6.672 -6.576 1.00 0.00 C ATOM 0 HA PRO A 90 10.625 -6.664 -9.624 1.00 0.00 H new ATOM 0 HB2 PRO A 90 8.987 -8.853 -8.679 1.00 0.00 H new ATOM 0 HB3 PRO A 90 10.737 -8.786 -8.613 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.746 -8.196 -6.478 1.00 0.00 H new ATOM 0 HG3 PRO A 90 10.385 -8.802 -6.331 1.00 0.00 H new ATOM 0 HD2 PRO A 90 9.812 -6.251 -5.674 1.00 0.00 H new ATOM 0 HD3 PRO A 90 11.337 -6.640 -6.444 1.00 0.00 H new ATOM 1470 N THR A 91 7.433 -6.310 -9.112 1.00 0.00 N ATOM 1471 CA THR A 91 6.173 -6.082 -9.797 1.00 0.00 C ATOM 1472 C THR A 91 5.979 -4.595 -10.088 1.00 0.00 C ATOM 1473 O THR A 91 6.084 -4.156 -11.232 1.00 0.00 O ATOM 1474 CB THR A 91 5.001 -6.614 -8.965 1.00 0.00 C ATOM 1475 OG1 THR A 91 5.455 -7.158 -7.741 1.00 0.00 O ATOM 1476 CG2 THR A 91 4.204 -7.691 -9.672 1.00 0.00 C ATOM 0 H THR A 91 7.391 -6.185 -8.101 1.00 0.00 H new ATOM 0 HA THR A 91 6.201 -6.621 -10.744 1.00 0.00 H new ATOM 0 HB THR A 91 4.356 -5.751 -8.799 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.754 -8.080 -7.884 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.390 -8.023 -9.028 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.793 -7.290 -10.599 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.855 -8.535 -9.899 1.00 0.00 H new ATOM 1484 N GLY A 92 5.702 -3.834 -9.036 1.00 0.00 N ATOM 1485 CA GLY A 92 5.504 -2.404 -9.177 1.00 0.00 C ATOM 1486 C GLY A 92 4.624 -2.029 -10.357 1.00 0.00 C ATOM 1487 O GLY A 92 4.765 -0.961 -10.935 1.00 0.00 O ATOM 0 H GLY A 92 5.611 -4.184 -8.082 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.057 -2.015 -8.262 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.474 -1.920 -9.289 1.00 0.00 H new ATOM 1491 N ASN A 93 3.703 -2.928 -10.693 1.00 0.00 N ATOM 1492 CA ASN A 93 2.794 -2.689 -11.801 1.00 0.00 C ATOM 1493 C ASN A 93 1.883 -1.505 -11.517 1.00 0.00 C ATOM 1494 O ASN A 93 1.578 -0.715 -12.407 1.00 0.00 O ATOM 1495 CB ASN A 93 1.941 -3.941 -12.060 1.00 0.00 C ATOM 1496 CG ASN A 93 2.798 -5.172 -12.306 1.00 0.00 C ATOM 1497 OD1 ASN A 93 4.027 -5.089 -12.397 1.00 0.00 O ATOM 1498 ND2 ASN A 93 2.147 -6.319 -12.431 1.00 0.00 N ATOM 0 H ASN A 93 3.570 -3.820 -10.216 1.00 0.00 H new ATOM 0 HA ASN A 93 3.392 -2.462 -12.684 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.288 -4.118 -11.205 1.00 0.00 H new ATOM 0 HB3 ASN A 93 1.297 -3.769 -12.922 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.662 -7.181 -12.610 1.00 0.00 H new ATOM 0 HD22 ASN A 93 1.131 -6.340 -12.348 1.00 0.00 H new ATOM 1505 N TRP A 94 1.480 -1.403 -10.266 1.00 0.00 N ATOM 1506 CA TRP A 94 0.627 -0.321 -9.843 1.00 0.00 C ATOM 1507 C TRP A 94 1.434 0.743 -9.281 1.00 0.00 C ATOM 1508 O TRP A 94 1.178 1.907 -9.538 1.00 0.00 O ATOM 1509 CB TRP A 94 -0.297 -0.833 -8.798 1.00 0.00 C ATOM 1510 CG TRP A 94 -0.785 -2.221 -9.088 1.00 0.00 C ATOM 1511 CD1 TRP A 94 -0.176 -3.398 -8.754 1.00 0.00 C ATOM 1512 CD2 TRP A 94 -1.989 -2.574 -9.773 1.00 0.00 C ATOM 1513 NE1 TRP A 94 -0.946 -4.452 -9.176 1.00 0.00 N ATOM 1514 CE2 TRP A 94 -2.043 -3.974 -9.806 1.00 0.00 C ATOM 1515 CE3 TRP A 94 -3.030 -1.847 -10.358 1.00 0.00 C ATOM 1516 CZ2 TRP A 94 -3.087 -4.661 -10.405 1.00 0.00 C ATOM 1517 CZ3 TRP A 94 -4.063 -2.548 -10.948 1.00 0.00 C ATOM 1518 CH2 TRP A 94 -4.079 -3.940 -10.964 1.00 0.00 C ATOM 0 H TRP A 94 1.732 -2.059 -9.527 1.00 0.00 H new ATOM 0 HA TRP A 94 0.065 0.064 -10.694 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.211 -0.825 -7.834 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -1.152 -0.162 -8.714 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.768 -3.485 -8.237 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -0.726 -5.438 -9.037 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -3.026 -0.767 -10.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -3.105 -5.741 -10.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -4.876 -2.005 -11.407 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -4.904 -4.453 -11.435 1.00 0.00 H new ATOM 1529 N ARG A 95 2.455 0.396 -8.498 1.00 0.00 N ATOM 1530 CA ARG A 95 3.339 1.373 -7.896 1.00 0.00 C ATOM 1531 C ARG A 95 3.852 2.356 -8.936 1.00 0.00 C ATOM 1532 O ARG A 95 4.192 3.492 -8.613 1.00 0.00 O ATOM 1533 CB ARG A 95 4.507 0.680 -7.182 1.00 0.00 C ATOM 1534 CG ARG A 95 5.662 0.310 -8.097 1.00 0.00 C ATOM 1535 CD ARG A 95 6.667 1.429 -8.236 1.00 0.00 C ATOM 1536 NE ARG A 95 7.229 1.506 -9.578 1.00 0.00 N ATOM 1537 CZ ARG A 95 8.025 0.585 -10.105 1.00 0.00 C ATOM 1538 NH1 ARG A 95 8.349 -0.417 -9.407 1.00 0.00 N ATOM 1539 NH2 ARG A 95 8.494 0.735 -11.336 1.00 0.00 N ATOM 0 H ARG A 95 2.686 -0.571 -8.268 1.00 0.00 H new ATOM 0 HA ARG A 95 2.769 1.933 -7.155 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.878 1.336 -6.394 1.00 0.00 H new ATOM 0 HB3 ARG A 95 4.138 -0.224 -6.697 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.161 -0.577 -7.707 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.273 0.050 -9.082 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.188 2.377 -7.991 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.472 1.283 -7.516 1.00 0.00 H new ATOM 0 HE ARG A 95 6.996 2.319 -10.148 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.999 -0.509 -8.453 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.960 -1.134 -9.797 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.243 1.560 -11.880 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.106 0.025 -11.739 1.00 0.00 H new ATOM 1553 N LYS A 96 3.925 1.919 -10.199 1.00 0.00 N ATOM 1554 CA LYS A 96 4.412 2.796 -11.260 1.00 0.00 C ATOM 1555 C LYS A 96 3.535 4.036 -11.382 1.00 0.00 C ATOM 1556 O LYS A 96 4.055 5.145 -11.533 1.00 0.00 O ATOM 1557 CB LYS A 96 4.447 2.040 -12.590 1.00 0.00 C ATOM 1558 CG LYS A 96 5.492 2.577 -13.565 1.00 0.00 C ATOM 1559 CD LYS A 96 5.103 2.298 -15.009 1.00 0.00 C ATOM 1560 CE LYS A 96 6.316 1.951 -15.849 1.00 0.00 C ATOM 1561 NZ LYS A 96 6.602 0.501 -15.845 1.00 0.00 N ATOM 0 H LYS A 96 3.658 0.983 -10.503 1.00 0.00 H new ATOM 0 HA LYS A 96 5.423 3.116 -11.006 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.649 0.987 -12.396 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.463 2.095 -13.057 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.609 3.651 -13.420 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.458 2.120 -13.353 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.387 1.476 -15.043 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.605 3.172 -15.429 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.153 2.285 -16.874 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.184 2.492 -15.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.439 0.311 -16.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.783 0.186 -14.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.785 -0.015 -16.230 1.00 0.00 H new ATOM 1575 N LYS A 97 2.222 3.853 -11.290 1.00 0.00 N ATOM 1576 CA LYS A 97 1.309 4.975 -11.364 1.00 0.00 C ATOM 1577 C LYS A 97 1.377 5.775 -10.080 1.00 0.00 C ATOM 1578 O LYS A 97 1.245 7.001 -10.083 1.00 0.00 O ATOM 1579 CB LYS A 97 -0.037 4.482 -11.616 1.00 0.00 C ATOM 1580 CG LYS A 97 -1.104 5.543 -11.412 1.00 0.00 C ATOM 1581 CD LYS A 97 -2.431 5.119 -12.019 1.00 0.00 C ATOM 1582 CE LYS A 97 -2.976 3.865 -11.355 1.00 0.00 C ATOM 1583 NZ LYS A 97 -2.419 2.628 -11.984 1.00 0.00 N ATOM 0 H LYS A 97 1.775 2.945 -11.165 1.00 0.00 H new ATOM 0 HA LYS A 97 1.591 5.636 -12.184 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.096 4.107 -12.638 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.239 3.639 -10.955 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.233 5.731 -10.346 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.778 6.480 -11.864 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.154 5.929 -11.917 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.302 4.939 -13.086 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.730 3.877 -10.293 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.063 3.855 -11.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.199 1.999 -12.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.864 2.886 -12.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.807 2.137 -11.302 1.00 0.00 H new ATOM 1597 N TYR A 98 1.583 5.071 -8.982 1.00 0.00 N ATOM 1598 CA TYR A 98 1.681 5.683 -7.667 1.00 0.00 C ATOM 1599 C TYR A 98 2.994 6.447 -7.516 1.00 0.00 C ATOM 1600 O TYR A 98 3.075 7.405 -6.745 1.00 0.00 O ATOM 1601 CB TYR A 98 1.567 4.615 -6.597 1.00 0.00 C ATOM 1602 CG TYR A 98 0.189 4.032 -6.443 1.00 0.00 C ATOM 1603 CD1 TYR A 98 -0.780 4.378 -7.314 1.00 0.00 C ATOM 1604 CD2 TYR A 98 -0.031 3.138 -5.420 1.00 0.00 C ATOM 1605 CE1 TYR A 98 -2.046 3.851 -7.168 1.00 0.00 C ATOM 1606 CE2 TYR A 98 -1.301 2.606 -5.264 1.00 0.00 C ATOM 1607 CZ TYR A 98 -2.297 2.964 -6.139 1.00 0.00 C ATOM 1608 OH TYR A 98 -3.557 2.429 -5.997 1.00 0.00 O ATOM 0 H TYR A 98 1.687 4.056 -8.976 1.00 0.00 H new ATOM 0 HA TYR A 98 0.864 6.395 -7.553 1.00 0.00 H new ATOM 0 HB2 TYR A 98 2.265 3.810 -6.829 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.877 5.040 -5.642 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.566 5.063 -8.121 1.00 0.00 H new ATOM 0 HD2 TYR A 98 0.770 2.857 -4.752 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.834 4.129 -7.852 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -1.506 1.915 -4.460 1.00 0.00 H new ATOM 0 HH TYR A 98 -3.569 1.520 -6.363 1.00 0.00 H new ATOM 1618 N GLU A 99 4.019 6.027 -8.252 1.00 0.00 N ATOM 1619 CA GLU A 99 5.312 6.678 -8.188 1.00 0.00 C ATOM 1620 C GLU A 99 5.395 7.850 -9.158 1.00 0.00 C ATOM 1621 O GLU A 99 6.001 8.881 -8.858 1.00 0.00 O ATOM 1622 CB GLU A 99 6.429 5.678 -8.472 1.00 0.00 C ATOM 1623 CG GLU A 99 7.679 5.903 -7.633 1.00 0.00 C ATOM 1624 CD GLU A 99 8.952 5.782 -8.441 1.00 0.00 C ATOM 1625 OE1 GLU A 99 9.379 6.797 -9.033 1.00 0.00 O ATOM 1626 OE2 GLU A 99 9.518 4.668 -8.488 1.00 0.00 O ATOM 0 H GLU A 99 3.974 5.239 -8.898 1.00 0.00 H new ATOM 0 HA GLU A 99 5.435 7.069 -7.178 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.057 4.670 -8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.695 5.734 -9.527 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.634 6.893 -7.179 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.700 5.179 -6.818 1.00 0.00 H new ATOM 1633 N ASP A 100 4.777 7.698 -10.328 1.00 0.00 N ATOM 1634 CA ASP A 100 4.776 8.749 -11.327 1.00 0.00 C ATOM 1635 C ASP A 100 4.185 10.037 -10.757 1.00 0.00 C ATOM 1636 O ASP A 100 4.686 11.135 -11.013 1.00 0.00 O ATOM 1637 CB ASP A 100 3.991 8.286 -12.571 1.00 0.00 C ATOM 1638 CG ASP A 100 2.534 8.709 -12.547 1.00 0.00 C ATOM 1639 OD1 ASP A 100 2.259 9.916 -12.698 1.00 0.00 O ATOM 1640 OD2 ASP A 100 1.666 7.821 -12.388 1.00 0.00 O ATOM 0 H ASP A 100 4.272 6.855 -10.601 1.00 0.00 H new ATOM 0 HA ASP A 100 5.805 8.958 -11.621 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.466 8.691 -13.465 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.047 7.200 -12.645 1.00 0.00 H new ATOM 1645 N ARG A 101 3.128 9.892 -9.966 1.00 0.00 N ATOM 1646 CA ARG A 101 2.470 11.033 -9.352 1.00 0.00 C ATOM 1647 C ARG A 101 3.446 11.814 -8.481 1.00 0.00 C ATOM 1648 O ARG A 101 3.481 13.046 -8.519 1.00 0.00 O ATOM 1649 CB ARG A 101 1.290 10.579 -8.510 1.00 0.00 C ATOM 1650 CG ARG A 101 0.071 11.387 -8.772 1.00 0.00 C ATOM 1651 CD ARG A 101 -0.716 11.546 -7.513 1.00 0.00 C ATOM 1652 NE ARG A 101 -1.658 12.660 -7.609 1.00 0.00 N ATOM 1653 CZ ARG A 101 -1.293 13.942 -7.568 1.00 0.00 C ATOM 1654 NH1 ARG A 101 -0.024 14.273 -7.420 1.00 0.00 N ATOM 1655 NH2 ARG A 101 -2.213 14.896 -7.671 1.00 0.00 N ATOM 0 H ARG A 101 2.709 8.991 -9.736 1.00 0.00 H new ATOM 0 HA ARG A 101 2.111 11.682 -10.151 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.080 9.530 -8.717 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.551 10.649 -7.454 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.350 12.366 -9.162 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.540 10.903 -9.534 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.260 10.625 -7.303 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.037 11.713 -6.677 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.650 12.445 -7.713 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.686 13.546 -7.336 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.246 15.256 -7.390 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.196 14.647 -7.781 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.936 15.877 -7.640 1.00 0.00 H new ATOM 1669 N ALA A 102 4.239 11.088 -7.704 1.00 0.00 N ATOM 1670 CA ALA A 102 5.224 11.699 -6.829 1.00 0.00 C ATOM 1671 C ALA A 102 6.168 12.608 -7.610 1.00 0.00 C ATOM 1672 O ALA A 102 6.843 13.457 -7.039 1.00 0.00 O ATOM 1673 CB ALA A 102 6.007 10.633 -6.087 1.00 0.00 C ATOM 0 H ALA A 102 4.217 10.069 -7.664 1.00 0.00 H new ATOM 0 HA ALA A 102 4.693 12.313 -6.102 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.741 11.108 -5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.324 10.032 -5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.519 9.992 -6.805 1.00 0.00 H new ATOM 1679 N LYS A 103 6.207 12.424 -8.929 1.00 0.00 N ATOM 1680 CA LYS A 103 7.066 13.234 -9.782 1.00 0.00 C ATOM 1681 C LYS A 103 6.361 14.532 -10.148 1.00 0.00 C ATOM 1682 O LYS A 103 6.979 15.591 -10.210 1.00 0.00 O ATOM 1683 CB LYS A 103 7.447 12.470 -11.045 1.00 0.00 C ATOM 1684 CG LYS A 103 8.866 12.750 -11.523 1.00 0.00 C ATOM 1685 CD LYS A 103 8.883 13.814 -12.603 1.00 0.00 C ATOM 1686 CE LYS A 103 8.950 13.194 -13.994 1.00 0.00 C ATOM 1687 NZ LYS A 103 7.972 12.085 -14.154 1.00 0.00 N ATOM 0 H LYS A 103 5.656 11.724 -9.425 1.00 0.00 H new ATOM 0 HA LYS A 103 7.978 13.466 -9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.339 11.401 -10.859 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.747 12.727 -11.840 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.479 13.073 -10.681 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.311 11.832 -11.907 1.00 0.00 H new ATOM 0 HD2 LYS A 103 7.989 14.432 -12.521 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.740 14.472 -12.455 1.00 0.00 H new ATOM 0 HE2 LYS A 103 8.755 13.961 -14.743 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.957 12.819 -14.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 7.989 11.746 -15.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 8.224 11.305 -13.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 7.018 12.428 -13.923 1.00 0.00 H new ATOM 1701 N ALA A 104 5.059 14.438 -10.393 1.00 0.00 N ATOM 1702 CA ALA A 104 4.259 15.604 -10.743 1.00 0.00 C ATOM 1703 C ALA A 104 3.991 16.466 -9.514 1.00 0.00 C ATOM 1704 O ALA A 104 3.744 17.671 -9.635 1.00 0.00 O ATOM 1705 CB ALA A 104 2.951 15.172 -11.387 1.00 0.00 C ATOM 0 H ALA A 104 4.535 13.564 -10.355 1.00 0.00 H new ATOM 0 HA ALA A 104 4.820 16.202 -11.461 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.363 16.053 -11.643 1.00 0.00 H new ATOM 0 HB2 ALA A 104 3.162 14.601 -12.291 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.389 14.552 -10.689 1.00 0.00 H new ATOM 1711 N ALA A 105 4.021 15.847 -8.337 1.00 0.00 N ATOM 1712 CA ALA A 105 3.775 16.557 -7.099 1.00 0.00 C ATOM 1713 C ALA A 105 5.081 16.989 -6.431 1.00 0.00 C ATOM 1714 O ALA A 105 5.167 18.085 -5.870 1.00 0.00 O ATOM 1715 CB ALA A 105 2.957 15.703 -6.147 1.00 0.00 C ATOM 0 H ALA A 105 4.214 14.852 -8.221 1.00 0.00 H new ATOM 0 HA ALA A 105 3.209 17.456 -7.343 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.783 16.254 -5.223 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.001 15.457 -6.609 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.500 14.784 -5.925 1.00 0.00 H new ATOM 1721 N GLY A 106 6.085 16.122 -6.481 1.00 0.00 N ATOM 1722 CA GLY A 106 7.365 16.426 -5.876 1.00 0.00 C ATOM 1723 C GLY A 106 7.689 15.486 -4.737 1.00 0.00 C ATOM 1724 O GLY A 106 8.856 15.192 -4.473 1.00 0.00 O ATOM 0 H GLY A 106 6.033 15.209 -6.933 1.00 0.00 H new ATOM 0 HA2 GLY A 106 8.148 16.363 -6.632 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.358 17.452 -5.509 1.00 0.00 H new ATOM 1728 N ILE A 107 6.649 15.005 -4.057 1.00 0.00 N ATOM 1729 CA ILE A 107 6.811 14.081 -2.942 1.00 0.00 C ATOM 1730 C ILE A 107 7.594 12.843 -3.383 1.00 0.00 C ATOM 1731 O ILE A 107 7.031 11.924 -3.967 1.00 0.00 O ATOM 1732 CB ILE A 107 5.438 13.648 -2.381 1.00 0.00 C ATOM 1733 CG1 ILE A 107 5.597 12.600 -1.286 1.00 0.00 C ATOM 1734 CG2 ILE A 107 4.555 13.124 -3.501 1.00 0.00 C ATOM 1735 CD1 ILE A 107 6.542 12.998 -0.177 1.00 0.00 C ATOM 0 H ILE A 107 5.679 15.244 -4.263 1.00 0.00 H new ATOM 0 HA ILE A 107 7.365 14.598 -2.158 1.00 0.00 H new ATOM 0 HB ILE A 107 4.960 14.522 -1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.618 12.390 -0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 107 5.953 11.673 -1.735 1.00 0.00 H new ATOM 0 HG21 ILE A 107 3.590 12.822 -3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 107 4.406 13.908 -4.244 1.00 0.00 H new ATOM 0 HG23 ILE A 107 5.035 12.266 -3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.597 12.196 0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.534 13.179 -0.591 1.00 0.00 H new ATOM 0 HD13 ILE A 107 6.178 13.907 0.302 1.00 0.00 H new ATOM 1747 N VAL A 108 8.887 12.830 -3.093 1.00 0.00 N ATOM 1748 CA VAL A 108 9.738 11.711 -3.457 1.00 0.00 C ATOM 1749 C VAL A 108 10.649 11.306 -2.308 1.00 0.00 C ATOM 1750 O VAL A 108 10.899 12.090 -1.389 1.00 0.00 O ATOM 1751 CB VAL A 108 10.595 12.035 -4.699 1.00 0.00 C ATOM 1752 CG1 VAL A 108 11.378 10.805 -5.141 1.00 0.00 C ATOM 1753 CG2 VAL A 108 9.720 12.554 -5.832 1.00 0.00 C ATOM 0 H VAL A 108 9.369 13.585 -2.605 1.00 0.00 H new ATOM 0 HA VAL A 108 9.075 10.878 -3.692 1.00 0.00 H new ATOM 0 HB VAL A 108 11.307 12.817 -4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.977 11.051 -6.018 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.034 10.481 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.684 10.002 -5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.342 12.777 -6.699 1.00 0.00 H new ATOM 0 HG22 VAL A 108 8.983 11.796 -6.099 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.208 13.461 -5.510 1.00 0.00 H new ATOM 1763 N ILE A 109 11.134 10.069 -2.352 1.00 0.00 N ATOM 1764 CA ILE A 109 12.006 9.551 -1.317 1.00 0.00 C ATOM 1765 C ILE A 109 13.333 10.317 -1.258 1.00 0.00 C ATOM 1766 O ILE A 109 14.081 10.359 -2.242 1.00 0.00 O ATOM 1767 CB ILE A 109 12.269 8.035 -1.527 1.00 0.00 C ATOM 1768 CG1 ILE A 109 12.441 7.339 -0.187 1.00 0.00 C ATOM 1769 CG2 ILE A 109 13.479 7.791 -2.425 1.00 0.00 C ATOM 1770 CD1 ILE A 109 11.156 6.730 0.264 1.00 0.00 C ATOM 0 H ILE A 109 10.933 9.407 -3.101 1.00 0.00 H new ATOM 0 HA ILE A 109 11.497 9.691 -0.363 1.00 0.00 H new ATOM 0 HB ILE A 109 11.401 7.612 -2.032 1.00 0.00 H new ATOM 0 HG12 ILE A 109 13.205 6.566 -0.269 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.790 8.055 0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 109 13.630 6.719 -2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.307 8.247 -3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.365 8.233 -1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 109 11.304 6.238 1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 109 10.401 7.509 0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 109 10.823 5.998 -0.471 1.00 0.00 H new ATOM 1782 N PRO A 110 13.643 10.948 -0.108 1.00 0.00 N ATOM 1783 CA PRO A 110 14.882 11.720 0.011 1.00 0.00 C ATOM 1784 C PRO A 110 16.109 10.811 0.122 1.00 0.00 C ATOM 1785 O PRO A 110 16.842 10.872 1.085 1.00 0.00 O ATOM 1786 CB PRO A 110 14.661 12.502 1.284 1.00 0.00 C ATOM 1787 CG PRO A 110 13.233 12.281 1.655 1.00 0.00 C ATOM 1788 CD PRO A 110 12.831 10.981 1.024 1.00 0.00 C ATOM 0 HA PRO A 110 15.081 12.348 -0.858 1.00 0.00 H new ATOM 0 HB2 PRO A 110 15.328 12.158 2.075 1.00 0.00 H new ATOM 0 HB3 PRO A 110 14.866 13.562 1.132 1.00 0.00 H new ATOM 0 HG2 PRO A 110 13.114 12.241 2.738 1.00 0.00 H new ATOM 0 HG3 PRO A 110 12.607 13.098 1.296 1.00 0.00 H new ATOM 0 HD2 PRO A 110 13.015 10.133 1.683 1.00 0.00 H new ATOM 0 HD3 PRO A 110 11.772 10.962 0.768 1.00 0.00 H new ATOM 1796 N GLU A 111 16.326 9.976 -0.829 1.00 0.00 N ATOM 1797 CA GLU A 111 17.458 9.062 -0.840 1.00 0.00 C ATOM 1798 C GLU A 111 18.726 9.770 -1.302 1.00 0.00 C ATOM 1799 O GLU A 111 19.334 9.375 -2.297 1.00 0.00 O ATOM 1800 CB GLU A 111 17.158 7.866 -1.736 1.00 0.00 C ATOM 1801 CG GLU A 111 16.276 6.814 -1.085 1.00 0.00 C ATOM 1802 CD GLU A 111 17.050 5.910 -0.138 1.00 0.00 C ATOM 1803 OE1 GLU A 111 18.092 5.378 -0.554 1.00 0.00 O ATOM 1804 OE2 GLU A 111 16.609 5.747 0.937 1.00 0.00 O ATOM 0 H GLU A 111 15.722 9.891 -1.647 1.00 0.00 H new ATOM 0 HA GLU A 111 17.622 8.707 0.177 1.00 0.00 H new ATOM 0 HB2 GLU A 111 16.674 8.219 -2.646 1.00 0.00 H new ATOM 0 HB3 GLU A 111 18.099 7.403 -2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 111 15.473 7.307 -0.537 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.808 6.207 -1.860 1.00 0.00 H new ATOM 1811 N GLU A 112 19.114 10.813 -0.574 1.00 0.00 N ATOM 1812 CA GLU A 112 20.307 11.576 -0.917 1.00 0.00 C ATOM 1813 C GLU A 112 21.569 10.850 -0.431 1.00 0.00 C ATOM 1814 O GLU A 112 21.557 10.342 0.634 1.00 0.00 O ATOM 1815 CB GLU A 112 20.254 12.990 -0.311 1.00 0.00 C ATOM 1816 CG GLU A 112 19.119 13.218 0.612 1.00 0.00 C ATOM 1817 CD GLU A 112 19.125 14.613 1.185 1.00 0.00 C ATOM 1818 OE1 GLU A 112 20.210 15.082 1.588 1.00 0.00 O ATOM 1819 OE2 GLU A 112 18.045 15.246 1.231 1.00 0.00 O ATOM 1820 OXT GLU A 112 22.544 10.802 -1.214 1.00 0.00 O ATOM 0 H GLU A 112 18.621 11.147 0.254 1.00 0.00 H new ATOM 0 HA GLU A 112 20.343 11.666 -2.003 1.00 0.00 H new ATOM 0 HB2 GLU A 112 21.185 13.178 0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 112 20.200 13.717 -1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 112 18.182 13.048 0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 112 19.162 12.493 1.424 1.00 0.00 H new