USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 793 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 88 THR OG1 : rot 120:sc= -2.02 USER MOD Set 1.2: A 90 GLN : amide:sc= -1.64 K(o=-3.7,f=-5.1) USER MOD Set 2.1: A 47 MET CE :methyl -129:sc= -4.13! (180deg=-5.67!) USER MOD Set 2.2: A 52 HIS : no HD1:sc= -23! C(o=-28!,f=-36!) USER MOD Set 2.3: A 79 THR OG1 : rot -42:sc= -1.36! USER MOD Set 3.1: A 8 LYS NZ :NH3+ 173:sc= 0.287 (180deg=0) USER MOD Set 3.2: A 33 GLN : amide:sc= 0.278 K(o=0.57,f=-1.8) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.09 K(o=-0.09,f=-1.8!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 176:sc= 0.864 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 28 GLN : amide:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -1.15 X(o=-1.1,f=-1.2) USER MOD Single : A 44 MET CE :methyl -156:sc= -1.83 (180deg=-3.06!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 50 ASN : amide:sc= -4.01! C(o=-4!,f=-7.2!) USER MOD Single : A 53 HIS : no HD1:sc= -1.81 K(o=-1.8,f=-2.9) USER MOD Single : A 57 SER OG : rot 180:sc= -0.639 USER MOD Single : A 60 ASN :FLIP amide:sc= -10.3! C(o=-14!,f=-10!) USER MOD Single : A 61 MET CE :methyl -157:sc= -0.103 (180deg=-0.767) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0212 X(o=-0.021,f=-0.22) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.13 F(o=-2.2!,f=-0.13) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.463 X(o=-0.46,f=-0.08) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -2.96! C(o=-3!,f=-3.9!) USER MOD Single : A 106 ASN : amide:sc= -0.411 K(o=-0.41,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 73 N LYS A 6 5.788 12.630 7.712 1.00 0.00 N ATOM 74 CA LYS A 6 6.249 11.833 6.588 1.00 0.00 C ATOM 75 C LYS A 6 5.479 10.511 6.555 1.00 0.00 C ATOM 76 O LYS A 6 6.004 9.494 6.107 1.00 0.00 O ATOM 77 CB LYS A 6 7.768 11.659 6.642 1.00 0.00 C ATOM 78 CG LYS A 6 8.170 10.694 7.760 1.00 0.00 C ATOM 79 CD LYS A 6 9.691 10.546 7.835 1.00 0.00 C ATOM 80 CE LYS A 6 10.144 9.225 7.211 1.00 0.00 C ATOM 81 NZ LYS A 6 10.520 8.256 8.264 1.00 0.00 N ATOM 0 HA LYS A 6 6.043 12.345 5.648 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.129 11.283 5.685 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.243 12.627 6.804 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.789 11.058 8.714 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.714 9.719 7.586 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.167 11.379 7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.014 10.591 8.875 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.343 8.812 6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.993 9.400 6.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.825 7.365 7.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.299 8.646 8.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.700 8.075 8.878 1.00 0.00 H new ATOM 95 N ILE A 7 4.245 10.570 7.036 1.00 0.00 N ATOM 96 CA ILE A 7 3.398 9.390 7.067 1.00 0.00 C ATOM 97 C ILE A 7 2.155 9.637 6.211 1.00 0.00 C ATOM 98 O ILE A 7 1.152 10.153 6.701 1.00 0.00 O ATOM 99 CB ILE A 7 3.081 8.996 8.512 1.00 0.00 C ATOM 100 CG1 ILE A 7 2.204 7.743 8.558 1.00 0.00 C ATOM 101 CG2 ILE A 7 2.452 10.164 9.273 1.00 0.00 C ATOM 102 CD1 ILE A 7 3.060 6.474 8.553 1.00 0.00 C ATOM 0 H ILE A 7 3.812 11.416 7.407 1.00 0.00 H new ATOM 0 HA ILE A 7 3.919 8.536 6.634 1.00 0.00 H new ATOM 0 HB ILE A 7 4.018 8.752 9.013 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.582 7.763 9.453 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.530 7.735 7.701 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.237 9.858 10.297 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.144 11.006 9.284 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.526 10.462 8.781 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.412 5.598 8.586 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.663 6.445 7.645 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.715 6.474 9.424 1.00 0.00 H new ATOM 114 N LYS A 8 2.262 9.259 4.945 1.00 0.00 N ATOM 115 CA LYS A 8 1.159 9.433 4.016 1.00 0.00 C ATOM 116 C LYS A 8 0.773 8.074 3.429 1.00 0.00 C ATOM 117 O LYS A 8 1.637 7.241 3.160 1.00 0.00 O ATOM 118 CB LYS A 8 1.510 10.482 2.959 1.00 0.00 C ATOM 119 CG LYS A 8 0.448 11.583 2.906 1.00 0.00 C ATOM 120 CD LYS A 8 1.025 12.873 2.320 1.00 0.00 C ATOM 121 CE LYS A 8 0.217 13.333 1.105 1.00 0.00 C ATOM 122 NZ LYS A 8 0.137 14.810 1.064 1.00 0.00 N ATOM 0 H LYS A 8 3.096 8.833 4.541 1.00 0.00 H new ATOM 0 HA LYS A 8 0.281 9.818 4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.482 10.920 3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.594 10.005 1.982 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.396 11.250 2.302 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.066 11.774 3.909 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.023 13.655 3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.064 12.713 2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.681 12.963 0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.787 12.910 1.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.311 15.109 0.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.429 15.149 1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.095 15.211 1.121 1.00 0.00 H new ATOM 136 N VAL A 9 -0.527 7.892 3.247 1.00 0.00 N ATOM 137 CA VAL A 9 -1.039 6.648 2.696 1.00 0.00 C ATOM 138 C VAL A 9 -1.375 6.850 1.218 1.00 0.00 C ATOM 139 O VAL A 9 -2.090 7.786 0.862 1.00 0.00 O ATOM 140 CB VAL A 9 -2.233 6.163 3.521 1.00 0.00 C ATOM 141 CG1 VAL A 9 -2.550 4.697 3.217 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.989 6.372 5.017 1.00 0.00 C ATOM 0 H VAL A 9 -1.241 8.585 3.471 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.283 5.865 2.752 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.100 6.760 3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.402 4.377 3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.789 4.588 2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.685 4.080 3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.853 6.019 5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.104 5.814 5.323 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.836 7.433 5.216 1.00 0.00 H new ATOM 152 N LEU A 10 -0.845 5.956 0.396 1.00 0.00 N ATOM 153 CA LEU A 10 -1.079 6.024 -1.036 1.00 0.00 C ATOM 154 C LEU A 10 -1.971 4.855 -1.459 1.00 0.00 C ATOM 155 O LEU A 10 -1.585 3.695 -1.323 1.00 0.00 O ATOM 156 CB LEU A 10 0.247 6.091 -1.795 1.00 0.00 C ATOM 157 CG LEU A 10 0.228 5.556 -3.228 1.00 0.00 C ATOM 158 CD1 LEU A 10 0.816 4.146 -3.295 1.00 0.00 C ATOM 159 CD2 LEU A 10 -1.182 5.618 -3.817 1.00 0.00 C ATOM 0 H LEU A 10 -0.254 5.180 0.695 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.611 6.941 -1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.576 7.130 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.994 5.534 -1.230 1.00 0.00 H new ATOM 0 HG LEU A 10 0.861 6.198 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.790 3.790 -4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.847 4.165 -2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.230 3.477 -2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.168 5.232 -4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.857 5.015 -3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.528 6.652 -3.825 1.00 0.00 H new ATOM 171 N ILE A 11 -3.147 5.201 -1.963 1.00 0.00 N ATOM 172 CA ILE A 11 -4.096 4.194 -2.407 1.00 0.00 C ATOM 173 C ILE A 11 -4.697 4.622 -3.746 1.00 0.00 C ATOM 174 O ILE A 11 -5.467 5.579 -3.808 1.00 0.00 O ATOM 175 CB ILE A 11 -5.141 3.928 -1.321 1.00 0.00 C ATOM 176 CG1 ILE A 11 -6.172 5.057 -1.263 1.00 0.00 C ATOM 177 CG2 ILE A 11 -4.474 3.692 0.036 1.00 0.00 C ATOM 178 CD1 ILE A 11 -7.331 4.789 -2.225 1.00 0.00 C ATOM 0 H ILE A 11 -3.464 6.164 -2.074 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.592 3.242 -2.573 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.677 3.015 -1.580 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.553 5.155 -0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.695 6.004 -1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.239 3.505 0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.811 2.829 -0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.896 4.573 0.316 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.050 5.606 -2.165 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.949 4.716 -3.243 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.821 3.854 -1.953 1.00 0.00 H new ATOM 190 N VAL A 12 -4.324 3.890 -4.786 1.00 0.00 N ATOM 191 CA VAL A 12 -4.817 4.181 -6.122 1.00 0.00 C ATOM 192 C VAL A 12 -5.279 2.882 -6.785 1.00 0.00 C ATOM 193 O VAL A 12 -4.553 1.890 -6.788 1.00 0.00 O ATOM 194 CB VAL A 12 -3.742 4.915 -6.928 1.00 0.00 C ATOM 195 CG1 VAL A 12 -2.482 4.058 -7.067 1.00 0.00 C ATOM 196 CG2 VAL A 12 -4.276 5.332 -8.300 1.00 0.00 C ATOM 0 H VAL A 12 -3.686 3.096 -4.730 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.679 4.846 -6.075 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.473 5.820 -6.384 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.734 4.602 -7.644 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.084 3.833 -6.077 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.729 3.128 -7.579 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.493 5.851 -8.853 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.585 4.446 -8.855 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.131 5.996 -8.171 1.00 0.00 H new ATOM 206 N ASP A 13 -6.486 2.931 -7.330 1.00 0.00 N ATOM 207 CA ASP A 13 -7.055 1.770 -7.994 1.00 0.00 C ATOM 208 C ASP A 13 -7.814 2.223 -9.242 1.00 0.00 C ATOM 209 O ASP A 13 -8.445 3.279 -9.240 1.00 0.00 O ATOM 210 CB ASP A 13 -8.040 1.040 -7.080 1.00 0.00 C ATOM 211 CG ASP A 13 -7.489 0.665 -5.702 1.00 0.00 C ATOM 212 OD1 ASP A 13 -7.227 1.605 -4.921 1.00 0.00 O ATOM 213 OD2 ASP A 13 -7.341 -0.553 -5.463 1.00 0.00 O ATOM 0 H ASP A 13 -7.085 3.756 -7.325 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.238 1.097 -8.254 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.920 1.669 -6.944 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.372 0.131 -7.581 1.00 0.00 H new ATOM 218 N ASP A 14 -7.728 1.403 -10.279 1.00 0.00 N ATOM 219 CA ASP A 14 -8.400 1.706 -11.531 1.00 0.00 C ATOM 220 C ASP A 14 -9.890 1.928 -11.265 1.00 0.00 C ATOM 221 O ASP A 14 -10.468 2.909 -11.729 1.00 0.00 O ATOM 222 CB ASP A 14 -8.264 0.549 -12.523 1.00 0.00 C ATOM 223 CG ASP A 14 -8.379 0.944 -13.996 1.00 0.00 C ATOM 224 OD1 ASP A 14 -7.631 1.860 -14.398 1.00 0.00 O ATOM 225 OD2 ASP A 14 -9.213 0.320 -14.688 1.00 0.00 O ATOM 0 H ASP A 14 -7.203 0.529 -10.278 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.939 2.599 -11.953 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.299 0.067 -12.366 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.031 -0.193 -12.300 1.00 0.00 H new ATOM 230 N GLN A 15 -10.470 1.000 -10.518 1.00 0.00 N ATOM 231 CA GLN A 15 -11.882 1.081 -10.185 1.00 0.00 C ATOM 232 C GLN A 15 -12.083 1.943 -8.937 1.00 0.00 C ATOM 233 O GLN A 15 -11.298 1.867 -7.993 1.00 0.00 O ATOM 234 CB GLN A 15 -12.481 -0.312 -9.991 1.00 0.00 C ATOM 235 CG GLN A 15 -13.864 -0.409 -10.641 1.00 0.00 C ATOM 236 CD GLN A 15 -14.263 -1.869 -10.865 1.00 0.00 C ATOM 237 OE1 GLN A 15 -13.434 -2.760 -10.953 1.00 0.00 O ATOM 238 NE2 GLN A 15 -15.576 -2.064 -10.951 1.00 0.00 N ATOM 0 H GLN A 15 -9.987 0.188 -10.134 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.405 1.552 -11.017 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.818 -1.061 -10.425 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.559 -0.533 -8.927 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.603 0.081 -10.007 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.860 0.121 -11.593 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -16.215 -1.274 -10.869 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.943 -3.004 -11.099 1.00 0.00 H new ATOM 247 N VAL A 16 -13.139 2.743 -8.973 1.00 0.00 N ATOM 248 CA VAL A 16 -13.453 3.618 -7.856 1.00 0.00 C ATOM 249 C VAL A 16 -13.941 2.776 -6.675 1.00 0.00 C ATOM 250 O VAL A 16 -13.574 3.034 -5.530 1.00 0.00 O ATOM 251 CB VAL A 16 -14.465 4.679 -8.292 1.00 0.00 C ATOM 252 CG1 VAL A 16 -15.296 5.166 -7.102 1.00 0.00 C ATOM 253 CG2 VAL A 16 -13.767 5.849 -8.988 1.00 0.00 C ATOM 0 H VAL A 16 -13.788 2.803 -9.758 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.562 4.153 -7.527 1.00 0.00 H new ATOM 0 HB VAL A 16 -15.144 4.219 -9.010 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -16.008 5.920 -7.439 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.837 4.325 -6.667 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.636 5.600 -6.351 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.509 6.589 -9.288 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.054 6.307 -8.303 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.240 5.486 -9.870 1.00 0.00 H new ATOM 263 N THR A 17 -14.761 1.785 -6.995 1.00 0.00 N ATOM 264 CA THR A 17 -15.303 0.903 -5.975 1.00 0.00 C ATOM 265 C THR A 17 -14.171 0.236 -5.192 1.00 0.00 C ATOM 266 O THR A 17 -14.288 0.021 -3.986 1.00 0.00 O ATOM 267 CB THR A 17 -16.238 -0.094 -6.661 1.00 0.00 C ATOM 268 OG1 THR A 17 -17.531 0.248 -6.170 1.00 0.00 O ATOM 269 CG2 THR A 17 -16.022 -1.529 -6.175 1.00 0.00 C ATOM 0 H THR A 17 -15.063 1.574 -7.946 1.00 0.00 H new ATOM 0 HA THR A 17 -15.882 1.459 -5.238 1.00 0.00 H new ATOM 0 HB THR A 17 -16.087 -0.050 -7.740 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.200 -0.349 -6.566 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.711 -2.196 -6.693 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.996 -1.833 -6.383 1.00 0.00 H new ATOM 0 HG23 THR A 17 -16.205 -1.581 -5.102 1.00 0.00 H new ATOM 277 N SER A 18 -13.101 -0.075 -5.909 1.00 0.00 N ATOM 278 CA SER A 18 -11.949 -0.714 -5.296 1.00 0.00 C ATOM 279 C SER A 18 -11.198 0.290 -4.418 1.00 0.00 C ATOM 280 O SER A 18 -11.006 0.057 -3.227 1.00 0.00 O ATOM 281 CB SER A 18 -11.013 -1.296 -6.356 1.00 0.00 C ATOM 282 OG SER A 18 -11.543 -2.480 -6.946 1.00 0.00 O ATOM 0 H SER A 18 -13.008 0.104 -6.909 1.00 0.00 H new ATOM 0 HA SER A 18 -12.305 -1.535 -4.674 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.838 -0.551 -7.133 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.047 -1.518 -5.903 1.00 0.00 H new ATOM 0 HG SER A 18 -10.948 -2.783 -7.663 1.00 0.00 H new ATOM 288 N ARG A 19 -10.793 1.387 -5.043 1.00 0.00 N ATOM 289 CA ARG A 19 -10.068 2.427 -4.335 1.00 0.00 C ATOM 290 C ARG A 19 -10.940 3.022 -3.226 1.00 0.00 C ATOM 291 O ARG A 19 -10.426 3.477 -2.205 1.00 0.00 O ATOM 292 CB ARG A 19 -9.635 3.543 -5.287 1.00 0.00 C ATOM 293 CG ARG A 19 -10.843 4.156 -5.998 1.00 0.00 C ATOM 294 CD ARG A 19 -11.529 5.198 -5.111 1.00 0.00 C ATOM 295 NE ARG A 19 -11.644 6.483 -5.836 1.00 0.00 N ATOM 296 CZ ARG A 19 -10.662 7.392 -5.913 1.00 0.00 C ATOM 297 NH1 ARG A 19 -9.488 7.162 -5.311 1.00 0.00 N ATOM 298 NH2 ARG A 19 -10.855 8.531 -6.592 1.00 0.00 N ATOM 0 H ARG A 19 -10.954 1.577 -6.032 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.179 1.972 -3.899 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.105 4.316 -4.730 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.937 3.147 -6.024 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.524 4.621 -6.931 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.553 3.371 -6.259 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.519 4.845 -4.820 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.958 5.339 -4.193 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.525 6.690 -6.306 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.341 6.295 -4.794 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.741 7.854 -5.370 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.749 8.706 -7.050 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.108 9.223 -6.651 1.00 0.00 H new ATOM 312 N LEU A 20 -12.243 2.998 -3.465 1.00 0.00 N ATOM 313 CA LEU A 20 -13.190 3.529 -2.500 1.00 0.00 C ATOM 314 C LEU A 20 -13.290 2.571 -1.311 1.00 0.00 C ATOM 315 O LEU A 20 -13.290 3.004 -0.160 1.00 0.00 O ATOM 316 CB LEU A 20 -14.534 3.816 -3.172 1.00 0.00 C ATOM 317 CG LEU A 20 -15.697 4.146 -2.234 1.00 0.00 C ATOM 318 CD1 LEU A 20 -16.613 5.207 -2.847 1.00 0.00 C ATOM 319 CD2 LEU A 20 -16.464 2.882 -1.844 1.00 0.00 C ATOM 0 H LEU A 20 -12.665 2.619 -4.313 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.842 4.486 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.402 4.650 -3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.811 2.948 -3.770 1.00 0.00 H new ATOM 0 HG LEU A 20 -15.286 4.568 -1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.431 5.423 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -16.043 6.118 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -17.019 4.837 -3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.285 3.146 -1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.863 2.407 -2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.792 2.191 -1.336 1.00 0.00 H new ATOM 331 N LEU A 21 -13.372 1.288 -1.631 1.00 0.00 N ATOM 332 CA LEU A 21 -13.473 0.266 -0.602 1.00 0.00 C ATOM 333 C LEU A 21 -12.226 0.316 0.283 1.00 0.00 C ATOM 334 O LEU A 21 -12.329 0.491 1.497 1.00 0.00 O ATOM 335 CB LEU A 21 -13.724 -1.106 -1.232 1.00 0.00 C ATOM 336 CG LEU A 21 -15.141 -1.352 -1.757 1.00 0.00 C ATOM 337 CD1 LEU A 21 -15.143 -2.430 -2.843 1.00 0.00 C ATOM 338 CD2 LEU A 21 -16.098 -1.691 -0.612 1.00 0.00 C ATOM 0 H LEU A 21 -13.371 0.933 -2.587 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.331 0.457 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.024 -1.239 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.494 -1.872 -0.491 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.501 -0.431 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -16.161 -2.586 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.513 -2.111 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.756 -3.362 -2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.098 -1.861 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.752 -2.591 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.126 -0.863 0.096 1.00 0.00 H new ATOM 350 N LEU A 22 -11.077 0.159 -0.357 1.00 0.00 N ATOM 351 CA LEU A 22 -9.812 0.184 0.358 1.00 0.00 C ATOM 352 C LEU A 22 -9.685 1.508 1.114 1.00 0.00 C ATOM 353 O LEU A 22 -9.387 1.519 2.307 1.00 0.00 O ATOM 354 CB LEU A 22 -8.651 -0.093 -0.599 1.00 0.00 C ATOM 355 CG LEU A 22 -8.675 0.674 -1.922 1.00 0.00 C ATOM 356 CD1 LEU A 22 -7.670 1.828 -1.906 1.00 0.00 C ATOM 357 CD2 LEU A 22 -8.447 -0.268 -3.106 1.00 0.00 C ATOM 0 H LEU A 22 -10.995 0.014 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.778 -0.612 1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.719 0.139 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.636 -1.160 -0.821 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.666 1.112 -2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.708 2.357 -2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.920 2.517 -1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.666 1.434 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.469 0.303 -4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.477 -0.755 -3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.232 -1.024 -3.126 1.00 0.00 H new ATOM 369 N GLY A 23 -9.916 2.592 0.388 1.00 0.00 N ATOM 370 CA GLY A 23 -9.831 3.918 0.975 1.00 0.00 C ATOM 371 C GLY A 23 -10.860 4.090 2.093 1.00 0.00 C ATOM 372 O GLY A 23 -10.627 4.830 3.048 1.00 0.00 O ATOM 0 H GLY A 23 -10.162 2.579 -0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.828 4.081 1.371 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.996 4.672 0.205 1.00 0.00 H new ATOM 376 N ASP A 24 -11.977 3.393 1.939 1.00 0.00 N ATOM 377 CA ASP A 24 -13.042 3.460 2.924 1.00 0.00 C ATOM 378 C ASP A 24 -12.645 2.641 4.154 1.00 0.00 C ATOM 379 O ASP A 24 -12.767 3.112 5.284 1.00 0.00 O ATOM 380 CB ASP A 24 -14.343 2.877 2.369 1.00 0.00 C ATOM 381 CG ASP A 24 -15.543 2.958 3.314 1.00 0.00 C ATOM 382 OD1 ASP A 24 -15.458 2.335 4.394 1.00 0.00 O ATOM 383 OD2 ASP A 24 -16.519 3.641 2.935 1.00 0.00 O ATOM 0 H ASP A 24 -12.167 2.779 1.147 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.197 4.508 3.182 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.592 3.398 1.445 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.174 1.832 2.110 1.00 0.00 H new ATOM 388 N ALA A 25 -12.177 1.429 3.893 1.00 0.00 N ATOM 389 CA ALA A 25 -11.762 0.540 4.965 1.00 0.00 C ATOM 390 C ALA A 25 -10.684 1.230 5.804 1.00 0.00 C ATOM 391 O ALA A 25 -10.733 1.195 7.034 1.00 0.00 O ATOM 392 CB ALA A 25 -11.279 -0.785 4.371 1.00 0.00 C ATOM 0 H ALA A 25 -12.076 1.042 2.955 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.600 0.315 5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.968 -1.452 5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.089 -1.248 3.808 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.435 -0.600 3.706 1.00 0.00 H new ATOM 398 N LEU A 26 -9.737 1.840 5.108 1.00 0.00 N ATOM 399 CA LEU A 26 -8.650 2.538 5.774 1.00 0.00 C ATOM 400 C LEU A 26 -9.186 3.823 6.407 1.00 0.00 C ATOM 401 O LEU A 26 -8.629 4.316 7.387 1.00 0.00 O ATOM 402 CB LEU A 26 -7.488 2.766 4.806 1.00 0.00 C ATOM 403 CG LEU A 26 -6.344 1.752 4.879 1.00 0.00 C ATOM 404 CD1 LEU A 26 -6.847 0.338 4.585 1.00 0.00 C ATOM 405 CD2 LEU A 26 -5.194 2.156 3.953 1.00 0.00 C ATOM 0 H LEU A 26 -9.699 1.866 4.089 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.245 1.930 6.583 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.883 2.766 3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.079 3.759 4.989 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.953 1.750 5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.015 -0.364 4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.606 0.062 5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.279 0.306 3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.394 1.419 4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.554 2.204 2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.814 3.134 4.250 1.00 0.00 H new ATOM 417 N GLN A 27 -10.260 4.330 5.822 1.00 0.00 N ATOM 418 CA GLN A 27 -10.878 5.548 6.317 1.00 0.00 C ATOM 419 C GLN A 27 -11.343 5.358 7.762 1.00 0.00 C ATOM 420 O GLN A 27 -11.044 6.182 8.626 1.00 0.00 O ATOM 421 CB GLN A 27 -12.040 5.978 5.420 1.00 0.00 C ATOM 422 CG GLN A 27 -13.378 5.840 6.150 1.00 0.00 C ATOM 423 CD GLN A 27 -14.522 6.412 5.312 1.00 0.00 C ATOM 424 OE1 GLN A 27 -14.372 7.384 4.591 1.00 0.00 O ATOM 425 NE2 GLN A 27 -15.671 5.754 5.445 1.00 0.00 N ATOM 0 H GLN A 27 -10.719 3.919 5.009 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.133 6.343 6.297 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.898 7.012 5.106 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -12.051 5.369 4.516 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.571 4.789 6.367 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.329 6.359 7.107 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -15.728 4.947 6.066 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -16.495 6.056 4.925 1.00 0.00 H new ATOM 434 N GLN A 28 -12.066 4.269 7.980 1.00 0.00 N ATOM 435 CA GLN A 28 -12.574 3.963 9.306 1.00 0.00 C ATOM 436 C GLN A 28 -11.417 3.671 10.264 1.00 0.00 C ATOM 437 O GLN A 28 -11.608 3.626 11.478 1.00 0.00 O ATOM 438 CB GLN A 28 -13.555 2.790 9.258 1.00 0.00 C ATOM 439 CG GLN A 28 -14.847 3.125 10.008 1.00 0.00 C ATOM 440 CD GLN A 28 -15.892 3.717 9.061 1.00 0.00 C ATOM 441 OE1 GLN A 28 -16.185 4.901 9.081 1.00 0.00 O ATOM 442 NE2 GLN A 28 -16.438 2.829 8.234 1.00 0.00 N ATOM 0 H GLN A 28 -12.312 3.588 7.261 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.115 4.833 9.677 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.785 2.546 8.221 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.093 1.907 9.699 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -15.244 2.224 10.476 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.634 3.833 10.809 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -16.147 1.852 8.270 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.148 3.125 7.564 1.00 0.00 H new ATOM 451 N LEU A 29 -10.242 3.479 9.681 1.00 0.00 N ATOM 452 CA LEU A 29 -9.055 3.193 10.467 1.00 0.00 C ATOM 453 C LEU A 29 -8.302 4.497 10.740 1.00 0.00 C ATOM 454 O LEU A 29 -7.402 4.535 11.578 1.00 0.00 O ATOM 455 CB LEU A 29 -8.203 2.123 9.782 1.00 0.00 C ATOM 456 CG LEU A 29 -6.705 2.419 9.685 1.00 0.00 C ATOM 457 CD1 LEU A 29 -6.050 2.395 11.067 1.00 0.00 C ATOM 458 CD2 LEU A 29 -6.019 1.460 8.708 1.00 0.00 C ATOM 0 H LEU A 29 -10.088 3.516 8.673 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.332 2.776 11.435 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.334 1.184 10.320 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.589 1.970 8.774 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.581 3.427 9.288 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.986 2.608 10.969 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.514 3.149 11.703 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.183 1.410 11.516 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.955 1.692 8.657 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.151 0.434 9.052 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.462 1.571 7.718 1.00 0.00 H new ATOM 470 N GLY A 30 -8.698 5.534 10.016 1.00 0.00 N ATOM 471 CA GLY A 30 -8.072 6.836 10.168 1.00 0.00 C ATOM 472 C GLY A 30 -6.608 6.796 9.725 1.00 0.00 C ATOM 473 O GLY A 30 -5.780 7.550 10.234 1.00 0.00 O ATOM 0 H GLY A 30 -9.445 5.498 9.322 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.614 7.575 9.578 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.132 7.153 11.209 1.00 0.00 H new ATOM 477 N PHE A 31 -6.332 5.907 8.781 1.00 0.00 N ATOM 478 CA PHE A 31 -4.983 5.760 8.264 1.00 0.00 C ATOM 479 C PHE A 31 -4.136 6.993 8.582 1.00 0.00 C ATOM 480 O PHE A 31 -3.652 7.147 9.703 1.00 0.00 O ATOM 481 CB PHE A 31 -5.099 5.613 6.745 1.00 0.00 C ATOM 482 CG PHE A 31 -6.075 6.598 6.098 1.00 0.00 C ATOM 483 CD1 PHE A 31 -7.318 6.767 6.624 1.00 0.00 C ATOM 484 CD2 PHE A 31 -5.700 7.303 4.998 1.00 0.00 C ATOM 485 CE1 PHE A 31 -8.224 7.681 6.023 1.00 0.00 C ATOM 486 CE2 PHE A 31 -6.606 8.218 4.398 1.00 0.00 C ATOM 487 CZ PHE A 31 -7.849 8.387 4.922 1.00 0.00 C ATOM 0 H PHE A 31 -7.020 5.282 8.361 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.502 4.895 8.721 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.113 5.749 6.301 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.416 4.597 6.512 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.616 6.207 7.498 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.713 7.168 4.580 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.211 7.816 6.440 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.307 8.780 3.525 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.538 9.081 4.465 1.00 0.00 H new ATOM 497 N LYS A 32 -3.982 7.841 7.575 1.00 0.00 N ATOM 498 CA LYS A 32 -3.200 9.056 7.734 1.00 0.00 C ATOM 499 C LYS A 32 -3.551 10.032 6.609 1.00 0.00 C ATOM 500 O LYS A 32 -3.959 11.163 6.869 1.00 0.00 O ATOM 501 CB LYS A 32 -1.708 8.726 7.819 1.00 0.00 C ATOM 502 CG LYS A 32 -0.999 9.653 8.808 1.00 0.00 C ATOM 503 CD LYS A 32 -1.259 9.219 10.251 1.00 0.00 C ATOM 504 CE LYS A 32 -2.309 10.115 10.912 1.00 0.00 C ATOM 505 NZ LYS A 32 -1.679 10.996 11.920 1.00 0.00 N ATOM 0 H LYS A 32 -4.385 7.711 6.647 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.447 9.549 8.674 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.578 7.689 8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.253 8.823 6.833 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.073 9.649 8.611 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.345 10.677 8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.597 8.183 10.268 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.330 9.260 10.820 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.809 10.719 10.155 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.074 9.500 11.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.406 11.597 12.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.222 10.415 12.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.965 11.596 11.459 1.00 0.00 H new ATOM 519 N GLN A 33 -3.380 9.559 5.383 1.00 0.00 N ATOM 520 CA GLN A 33 -3.674 10.377 4.218 1.00 0.00 C ATOM 521 C GLN A 33 -3.897 9.491 2.991 1.00 0.00 C ATOM 522 O GLN A 33 -3.059 8.652 2.664 1.00 0.00 O ATOM 523 CB GLN A 33 -2.557 11.392 3.966 1.00 0.00 C ATOM 524 CG GLN A 33 -3.016 12.810 4.313 1.00 0.00 C ATOM 525 CD GLN A 33 -2.464 13.825 3.310 1.00 0.00 C ATOM 526 OE1 GLN A 33 -1.503 14.532 3.568 1.00 0.00 O ATOM 527 NE2 GLN A 33 -3.124 13.859 2.156 1.00 0.00 N ATOM 0 H GLN A 33 -3.042 8.620 5.171 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.590 10.935 4.411 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.683 11.132 4.564 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.252 11.350 2.920 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.105 12.853 4.317 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.683 13.068 5.318 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.920 13.240 2.005 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.834 14.504 1.421 1.00 0.00 H new ATOM 536 N ILE A 34 -5.034 9.707 2.344 1.00 0.00 N ATOM 537 CA ILE A 34 -5.379 8.938 1.161 1.00 0.00 C ATOM 538 C ILE A 34 -4.934 9.705 -0.086 1.00 0.00 C ATOM 539 O ILE A 34 -5.470 10.769 -0.390 1.00 0.00 O ATOM 540 CB ILE A 34 -6.867 8.584 1.166 1.00 0.00 C ATOM 541 CG1 ILE A 34 -7.702 9.732 1.737 1.00 0.00 C ATOM 542 CG2 ILE A 34 -7.115 7.270 1.911 1.00 0.00 C ATOM 543 CD1 ILE A 34 -9.100 9.754 1.116 1.00 0.00 C ATOM 0 H ILE A 34 -5.727 10.403 2.617 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.849 7.985 1.158 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.186 8.436 0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.782 9.625 2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.201 10.681 1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.181 7.041 1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.566 6.465 1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.775 7.367 2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.673 10.579 1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.017 9.885 0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.608 8.813 1.329 1.00 0.00 H new ATOM 555 N THR A 35 -3.958 9.132 -0.777 1.00 0.00 N ATOM 556 CA THR A 35 -3.435 9.749 -1.984 1.00 0.00 C ATOM 557 C THR A 35 -3.527 8.776 -3.162 1.00 0.00 C ATOM 558 O THR A 35 -2.885 7.727 -3.157 1.00 0.00 O ATOM 559 CB THR A 35 -2.009 10.220 -1.696 1.00 0.00 C ATOM 560 OG1 THR A 35 -2.153 11.608 -1.409 1.00 0.00 O ATOM 561 CG2 THR A 35 -1.117 10.186 -2.939 1.00 0.00 C ATOM 0 H THR A 35 -3.517 8.248 -0.524 1.00 0.00 H new ATOM 0 HA THR A 35 -4.027 10.618 -2.272 1.00 0.00 H new ATOM 0 HB THR A 35 -1.571 9.594 -0.919 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.275 11.994 -1.209 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.116 10.530 -2.678 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.062 9.166 -3.320 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.536 10.837 -3.706 1.00 0.00 H new ATOM 569 N ALA A 36 -4.330 9.159 -4.144 1.00 0.00 N ATOM 570 CA ALA A 36 -4.514 8.334 -5.325 1.00 0.00 C ATOM 571 C ALA A 36 -4.184 9.156 -6.572 1.00 0.00 C ATOM 572 O ALA A 36 -4.496 10.345 -6.638 1.00 0.00 O ATOM 573 CB ALA A 36 -5.943 7.788 -5.349 1.00 0.00 C ATOM 0 H ALA A 36 -4.861 10.030 -4.145 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.838 7.479 -5.305 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.081 7.169 -6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.118 7.188 -4.456 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.649 8.618 -5.373 1.00 0.00 H new ATOM 579 N ALA A 37 -3.557 8.492 -7.532 1.00 0.00 N ATOM 580 CA ALA A 37 -3.182 9.145 -8.773 1.00 0.00 C ATOM 581 C ALA A 37 -3.180 8.118 -9.907 1.00 0.00 C ATOM 582 O ALA A 37 -2.581 7.051 -9.781 1.00 0.00 O ATOM 583 CB ALA A 37 -1.822 9.825 -8.601 1.00 0.00 C ATOM 0 H ALA A 37 -3.299 7.507 -7.474 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.905 9.919 -9.032 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.540 10.315 -9.533 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.884 10.567 -7.805 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.072 9.078 -8.343 1.00 0.00 H new ATOM 589 N GLY A 38 -3.857 8.475 -10.988 1.00 0.00 N ATOM 590 CA GLY A 38 -3.941 7.597 -12.142 1.00 0.00 C ATOM 591 C GLY A 38 -3.957 6.128 -11.714 1.00 0.00 C ATOM 592 O GLY A 38 -5.020 5.556 -11.483 1.00 0.00 O ATOM 0 H GLY A 38 -4.353 9.361 -11.089 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.843 7.824 -12.711 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.093 7.778 -12.803 1.00 0.00 H new ATOM 596 N ASP A 39 -2.763 5.560 -11.621 1.00 0.00 N ATOM 597 CA ASP A 39 -2.626 4.169 -11.224 1.00 0.00 C ATOM 598 C ASP A 39 -1.325 3.993 -10.438 1.00 0.00 C ATOM 599 O ASP A 39 -0.656 4.972 -10.110 1.00 0.00 O ATOM 600 CB ASP A 39 -2.567 3.251 -12.446 1.00 0.00 C ATOM 601 CG ASP A 39 -3.709 2.239 -12.552 1.00 0.00 C ATOM 602 OD1 ASP A 39 -4.245 1.876 -11.482 1.00 0.00 O ATOM 603 OD2 ASP A 39 -4.021 1.851 -13.699 1.00 0.00 O ATOM 0 H ASP A 39 -1.883 6.038 -11.814 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.491 3.905 -10.616 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.564 3.868 -13.345 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.622 2.709 -12.428 1.00 0.00 H new ATOM 608 N GLY A 40 -1.004 2.738 -10.159 1.00 0.00 N ATOM 609 CA GLY A 40 0.205 2.422 -9.417 1.00 0.00 C ATOM 610 C GLY A 40 1.372 3.301 -9.871 1.00 0.00 C ATOM 611 O GLY A 40 2.162 3.763 -9.049 1.00 0.00 O ATOM 0 H GLY A 40 -1.560 1.928 -10.433 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.030 2.566 -8.351 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.459 1.372 -9.559 1.00 0.00 H new ATOM 615 N GLU A 41 1.444 3.505 -11.178 1.00 0.00 N ATOM 616 CA GLU A 41 2.502 4.320 -11.751 1.00 0.00 C ATOM 617 C GLU A 41 2.305 5.789 -11.371 1.00 0.00 C ATOM 618 O GLU A 41 3.184 6.400 -10.765 1.00 0.00 O ATOM 619 CB GLU A 41 2.562 4.151 -13.270 1.00 0.00 C ATOM 620 CG GLU A 41 3.137 5.401 -13.939 1.00 0.00 C ATOM 621 CD GLU A 41 3.986 5.031 -15.156 1.00 0.00 C ATOM 622 OE1 GLU A 41 3.377 4.631 -16.173 1.00 0.00 O ATOM 623 OE2 GLU A 41 5.225 5.155 -15.044 1.00 0.00 O ATOM 0 H GLU A 41 0.787 3.120 -11.857 1.00 0.00 H new ATOM 0 HA GLU A 41 3.455 3.983 -11.343 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.176 3.286 -13.519 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.562 3.954 -13.657 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.325 6.060 -14.245 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.744 5.954 -13.223 1.00 0.00 H new ATOM 630 N GLN A 42 1.145 6.313 -11.741 1.00 0.00 N ATOM 631 CA GLN A 42 0.822 7.698 -11.446 1.00 0.00 C ATOM 632 C GLN A 42 0.840 7.938 -9.935 1.00 0.00 C ATOM 633 O GLN A 42 1.378 8.941 -9.468 1.00 0.00 O ATOM 634 CB GLN A 42 -0.532 8.085 -12.046 1.00 0.00 C ATOM 635 CG GLN A 42 -0.506 9.520 -12.576 1.00 0.00 C ATOM 636 CD GLN A 42 -1.740 9.809 -13.433 1.00 0.00 C ATOM 637 OE1 GLN A 42 -2.685 10.454 -13.009 1.00 0.00 O ATOM 638 NE2 GLN A 42 -1.679 9.299 -14.660 1.00 0.00 N ATOM 0 H GLN A 42 0.418 5.803 -12.242 1.00 0.00 H new ATOM 0 HA GLN A 42 1.581 8.333 -11.904 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.785 7.399 -12.855 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.311 7.987 -11.290 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.467 10.219 -11.741 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.397 9.677 -13.167 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.858 8.769 -14.952 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.453 9.438 -15.309 1.00 0.00 H new ATOM 647 N GLY A 43 0.247 6.999 -9.212 1.00 0.00 N ATOM 648 CA GLY A 43 0.189 7.095 -7.763 1.00 0.00 C ATOM 649 C GLY A 43 1.573 6.893 -7.144 1.00 0.00 C ATOM 650 O GLY A 43 1.846 7.389 -6.053 1.00 0.00 O ATOM 0 H GLY A 43 -0.197 6.168 -9.603 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.203 8.070 -7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.501 6.346 -7.373 1.00 0.00 H new ATOM 654 N MET A 44 2.409 6.166 -7.869 1.00 0.00 N ATOM 655 CA MET A 44 3.759 5.892 -7.403 1.00 0.00 C ATOM 656 C MET A 44 4.603 7.168 -7.390 1.00 0.00 C ATOM 657 O MET A 44 5.206 7.507 -6.372 1.00 0.00 O ATOM 658 CB MET A 44 4.415 4.856 -8.320 1.00 0.00 C ATOM 659 CG MET A 44 5.940 4.945 -8.244 1.00 0.00 C ATOM 660 SD MET A 44 6.473 4.842 -6.543 1.00 0.00 S ATOM 661 CE MET A 44 8.191 5.286 -6.730 1.00 0.00 C ATOM 0 H MET A 44 2.179 5.758 -8.775 1.00 0.00 H new ATOM 0 HA MET A 44 3.701 5.506 -6.385 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.091 3.855 -8.035 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.088 5.016 -9.348 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.389 4.139 -8.824 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.280 5.882 -8.684 1.00 0.00 H new ATOM 0 HE1 MET A 44 8.765 4.878 -5.898 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.572 4.880 -7.667 1.00 0.00 H new ATOM 0 HE3 MET A 44 8.287 6.372 -6.739 1.00 0.00 H new ATOM 671 N LYS A 45 4.618 7.842 -8.530 1.00 0.00 N ATOM 672 CA LYS A 45 5.379 9.074 -8.662 1.00 0.00 C ATOM 673 C LYS A 45 4.731 10.162 -7.804 1.00 0.00 C ATOM 674 O LYS A 45 5.421 11.021 -7.258 1.00 0.00 O ATOM 675 CB LYS A 45 5.524 9.458 -10.135 1.00 0.00 C ATOM 676 CG LYS A 45 4.155 9.590 -10.805 1.00 0.00 C ATOM 677 CD LYS A 45 4.160 8.946 -12.194 1.00 0.00 C ATOM 678 CE LYS A 45 3.564 9.891 -13.238 1.00 0.00 C ATOM 679 NZ LYS A 45 3.361 9.183 -14.522 1.00 0.00 N ATOM 0 H LYS A 45 4.116 7.559 -9.371 1.00 0.00 H new ATOM 0 HA LYS A 45 6.395 8.937 -8.291 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.065 10.401 -10.217 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.116 8.704 -10.654 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.395 9.117 -10.184 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.887 10.643 -10.889 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.181 8.686 -12.474 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.589 8.018 -12.170 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.613 10.286 -12.879 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.227 10.743 -13.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.956 9.839 -15.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.274 8.827 -14.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.710 8.384 -14.379 1.00 0.00 H new ATOM 693 N ILE A 46 3.411 10.089 -7.710 1.00 0.00 N ATOM 694 CA ILE A 46 2.662 11.058 -6.928 1.00 0.00 C ATOM 695 C ILE A 46 2.944 10.832 -5.441 1.00 0.00 C ATOM 696 O ILE A 46 2.992 11.785 -4.664 1.00 0.00 O ATOM 697 CB ILE A 46 1.175 11.002 -7.286 1.00 0.00 C ATOM 698 CG1 ILE A 46 0.887 11.805 -8.556 1.00 0.00 C ATOM 699 CG2 ILE A 46 0.310 11.459 -6.110 1.00 0.00 C ATOM 700 CD1 ILE A 46 2.074 11.751 -9.520 1.00 0.00 C ATOM 0 H ILE A 46 2.841 9.374 -8.162 1.00 0.00 H new ATOM 0 HA ILE A 46 2.986 12.071 -7.166 1.00 0.00 H new ATOM 0 HB ILE A 46 0.912 9.965 -7.494 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.003 11.410 -9.046 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.673 12.841 -8.295 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.742 11.410 -6.391 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.488 10.809 -5.253 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.567 12.485 -5.846 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.843 12.330 -10.414 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.956 12.169 -9.035 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.270 10.716 -9.798 1.00 0.00 H new ATOM 712 N MET A 47 3.123 9.568 -5.090 1.00 0.00 N ATOM 713 CA MET A 47 3.400 9.205 -3.710 1.00 0.00 C ATOM 714 C MET A 47 4.860 9.484 -3.352 1.00 0.00 C ATOM 715 O MET A 47 5.149 10.061 -2.304 1.00 0.00 O ATOM 716 CB MET A 47 3.096 7.721 -3.500 1.00 0.00 C ATOM 717 CG MET A 47 4.057 7.104 -2.483 1.00 0.00 C ATOM 718 SD MET A 47 5.420 6.318 -3.328 1.00 0.00 S ATOM 719 CE MET A 47 4.775 4.661 -3.482 1.00 0.00 C ATOM 0 H MET A 47 3.082 8.781 -5.738 1.00 0.00 H new ATOM 0 HA MET A 47 2.765 9.809 -3.061 1.00 0.00 H new ATOM 0 HB2 MET A 47 2.069 7.602 -3.154 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.176 7.192 -4.449 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.432 7.875 -1.810 1.00 0.00 H new ATOM 0 HG3 MET A 47 3.530 6.374 -1.869 1.00 0.00 H new ATOM 0 HE1 MET A 47 5.511 3.948 -3.111 1.00 0.00 H new ATOM 0 HE2 MET A 47 3.858 4.572 -2.900 1.00 0.00 H new ATOM 0 HE3 MET A 47 4.562 4.450 -4.530 1.00 0.00 H new ATOM 729 N ALA A 48 5.745 9.061 -4.243 1.00 0.00 N ATOM 730 CA ALA A 48 7.170 9.257 -4.034 1.00 0.00 C ATOM 731 C ALA A 48 7.475 10.756 -4.002 1.00 0.00 C ATOM 732 O ALA A 48 8.262 11.216 -3.176 1.00 0.00 O ATOM 733 CB ALA A 48 7.952 8.526 -5.127 1.00 0.00 C ATOM 0 H ALA A 48 5.503 8.583 -5.111 1.00 0.00 H new ATOM 0 HA ALA A 48 7.479 8.837 -3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.021 8.673 -4.970 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.723 7.461 -5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.671 8.922 -6.103 1.00 0.00 H new ATOM 739 N GLN A 49 6.835 11.477 -4.911 1.00 0.00 N ATOM 740 CA GLN A 49 7.028 12.915 -4.998 1.00 0.00 C ATOM 741 C GLN A 49 6.801 13.563 -3.630 1.00 0.00 C ATOM 742 O GLN A 49 7.259 14.678 -3.385 1.00 0.00 O ATOM 743 CB GLN A 49 6.108 13.528 -6.055 1.00 0.00 C ATOM 744 CG GLN A 49 6.841 13.693 -7.389 1.00 0.00 C ATOM 745 CD GLN A 49 7.420 15.102 -7.525 1.00 0.00 C ATOM 746 OE1 GLN A 49 7.891 15.703 -6.572 1.00 0.00 O ATOM 747 NE2 GLN A 49 7.361 15.596 -8.759 1.00 0.00 N ATOM 0 H GLN A 49 6.182 11.092 -5.594 1.00 0.00 H new ATOM 0 HA GLN A 49 8.056 13.107 -5.304 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.233 12.893 -6.193 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.748 14.498 -5.711 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.643 12.958 -7.461 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.154 13.497 -8.212 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.954 15.041 -9.512 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.723 16.530 -8.952 1.00 0.00 H new ATOM 756 N ASN A 50 6.095 12.838 -2.776 1.00 0.00 N ATOM 757 CA ASN A 50 5.801 13.328 -1.441 1.00 0.00 C ATOM 758 C ASN A 50 5.997 12.196 -0.431 1.00 0.00 C ATOM 759 O ASN A 50 6.423 11.101 -0.796 1.00 0.00 O ATOM 760 CB ASN A 50 4.353 13.810 -1.336 1.00 0.00 C ATOM 761 CG ASN A 50 3.726 13.967 -2.723 1.00 0.00 C ATOM 762 OD1 ASN A 50 4.342 14.446 -3.661 1.00 0.00 O ATOM 763 ND2 ASN A 50 2.469 13.538 -2.801 1.00 0.00 N ATOM 0 H ASN A 50 5.717 11.913 -2.983 1.00 0.00 H new ATOM 0 HA ASN A 50 6.473 14.160 -1.233 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.771 13.100 -0.748 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.320 14.763 -0.808 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.963 13.600 -3.684 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.011 13.147 -1.977 1.00 0.00 H new ATOM 770 N PRO A 51 5.667 12.505 0.851 1.00 0.00 N ATOM 771 CA PRO A 51 5.802 11.526 1.916 1.00 0.00 C ATOM 772 C PRO A 51 4.686 10.481 1.845 1.00 0.00 C ATOM 773 O PRO A 51 3.575 10.783 1.411 1.00 0.00 O ATOM 774 CB PRO A 51 5.775 12.336 3.202 1.00 0.00 C ATOM 775 CG PRO A 51 5.163 13.679 2.836 1.00 0.00 C ATOM 776 CD PRO A 51 5.158 13.791 1.320 1.00 0.00 C ATOM 0 HA PRO A 51 6.725 10.950 1.843 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.184 11.833 3.968 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.780 12.462 3.606 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.149 13.756 3.228 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.738 14.493 3.277 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.154 13.982 0.940 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.788 14.613 0.982 1.00 0.00 H new ATOM 784 N HIS A 52 5.020 9.275 2.277 1.00 0.00 N ATOM 785 CA HIS A 52 4.061 8.184 2.269 1.00 0.00 C ATOM 786 C HIS A 52 4.585 7.032 3.130 1.00 0.00 C ATOM 787 O HIS A 52 5.785 6.936 3.380 1.00 0.00 O ATOM 788 CB HIS A 52 3.741 7.754 0.836 1.00 0.00 C ATOM 789 CG HIS A 52 4.791 6.867 0.210 1.00 0.00 C ATOM 790 ND1 HIS A 52 6.032 7.337 -0.182 1.00 0.00 N ATOM 791 CD2 HIS A 52 4.772 5.535 -0.084 1.00 0.00 C ATOM 792 CE1 HIS A 52 6.721 6.325 -0.690 1.00 0.00 C ATOM 793 NE2 HIS A 52 5.938 5.209 -0.628 1.00 0.00 N ATOM 0 H HIS A 52 5.943 9.029 2.635 1.00 0.00 H new ATOM 0 HA HIS A 52 3.120 8.519 2.706 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.786 7.228 0.830 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.618 8.645 0.220 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.948 4.860 0.095 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.725 6.375 -1.084 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.205 4.278 -0.947 1.00 0.00 H new ATOM 802 N HIS A 53 3.658 6.188 3.559 1.00 0.00 N ATOM 803 CA HIS A 53 4.011 5.047 4.387 1.00 0.00 C ATOM 804 C HIS A 53 3.072 3.880 4.079 1.00 0.00 C ATOM 805 O HIS A 53 2.997 2.920 4.844 1.00 0.00 O ATOM 806 CB HIS A 53 4.014 5.431 5.868 1.00 0.00 C ATOM 807 CG HIS A 53 4.546 4.352 6.780 1.00 0.00 C ATOM 808 ND1 HIS A 53 3.733 3.617 7.625 1.00 0.00 N ATOM 809 CD2 HIS A 53 5.816 3.891 6.971 1.00 0.00 C ATOM 810 CE1 HIS A 53 4.489 2.757 8.290 1.00 0.00 C ATOM 811 NE2 HIS A 53 5.780 2.928 7.883 1.00 0.00 N ATOM 0 H HIS A 53 2.663 6.271 3.349 1.00 0.00 H new ATOM 0 HA HIS A 53 5.025 4.723 4.153 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.614 6.331 5.998 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.997 5.680 6.171 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.701 4.249 6.465 1.00 0.00 H new ATOM 0 HE1 HIS A 53 4.144 2.045 9.025 1.00 0.00 H new ATOM 0 HE2 HIS A 53 6.585 2.402 8.224 1.00 0.00 H new ATOM 820 N LEU A 54 2.377 4.001 2.957 1.00 0.00 N ATOM 821 CA LEU A 54 1.445 2.967 2.539 1.00 0.00 C ATOM 822 C LEU A 54 1.235 3.058 1.026 1.00 0.00 C ATOM 823 O LEU A 54 0.994 4.141 0.493 1.00 0.00 O ATOM 824 CB LEU A 54 0.149 3.056 3.346 1.00 0.00 C ATOM 825 CG LEU A 54 0.056 2.141 4.569 1.00 0.00 C ATOM 826 CD1 LEU A 54 -0.317 2.936 5.822 1.00 0.00 C ATOM 827 CD2 LEU A 54 -0.912 0.984 4.315 1.00 0.00 C ATOM 0 H LEU A 54 2.441 4.799 2.325 1.00 0.00 H new ATOM 0 HA LEU A 54 1.855 1.978 2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.021 4.086 3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.685 2.828 2.682 1.00 0.00 H new ATOM 0 HG LEU A 54 1.040 1.706 4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.376 2.262 6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.442 3.695 6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.283 3.418 5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.960 0.349 5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.904 1.380 4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.563 0.397 3.465 1.00 0.00 H new ATOM 839 N VAL A 55 1.334 1.908 0.376 1.00 0.00 N ATOM 840 CA VAL A 55 1.158 1.844 -1.065 1.00 0.00 C ATOM 841 C VAL A 55 0.227 0.679 -1.409 1.00 0.00 C ATOM 842 O VAL A 55 0.673 -0.458 -1.544 1.00 0.00 O ATOM 843 CB VAL A 55 2.520 1.744 -1.754 1.00 0.00 C ATOM 844 CG1 VAL A 55 2.376 1.873 -3.272 1.00 0.00 C ATOM 845 CG2 VAL A 55 3.491 2.792 -1.205 1.00 0.00 C ATOM 0 H VAL A 55 1.534 1.012 0.821 1.00 0.00 H new ATOM 0 HA VAL A 55 0.688 2.756 -1.434 1.00 0.00 H new ATOM 0 HB VAL A 55 2.933 0.759 -1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.358 1.799 -3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.735 1.074 -3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.931 2.838 -3.515 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.452 2.699 -1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.085 3.789 -1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.629 2.635 -0.135 1.00 0.00 H new ATOM 855 N ILE A 56 -1.051 1.005 -1.541 1.00 0.00 N ATOM 856 CA ILE A 56 -2.049 0.001 -1.867 1.00 0.00 C ATOM 857 C ILE A 56 -2.633 0.298 -3.249 1.00 0.00 C ATOM 858 O ILE A 56 -2.911 1.451 -3.575 1.00 0.00 O ATOM 859 CB ILE A 56 -3.102 -0.087 -0.760 1.00 0.00 C ATOM 860 CG1 ILE A 56 -4.345 0.729 -1.120 1.00 0.00 C ATOM 861 CG2 ILE A 56 -2.515 0.328 0.590 1.00 0.00 C ATOM 862 CD1 ILE A 56 -5.315 0.802 0.061 1.00 0.00 C ATOM 0 H ILE A 56 -1.418 1.950 -1.428 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.592 -0.987 -1.920 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.415 -1.127 -0.668 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.050 1.736 -1.416 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.844 0.278 -1.978 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.284 0.256 1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.685 -0.332 0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.156 1.356 0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.190 1.388 -0.222 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.627 -0.205 0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.821 1.275 0.909 1.00 0.00 H new ATOM 874 N SER A 57 -2.802 -0.763 -4.025 1.00 0.00 N ATOM 875 CA SER A 57 -3.348 -0.629 -5.366 1.00 0.00 C ATOM 876 C SER A 57 -4.217 -1.843 -5.699 1.00 0.00 C ATOM 877 O SER A 57 -4.237 -2.821 -4.953 1.00 0.00 O ATOM 878 CB SER A 57 -2.233 -0.474 -6.401 1.00 0.00 C ATOM 879 OG SER A 57 -2.675 -0.801 -7.716 1.00 0.00 O ATOM 0 H SER A 57 -2.571 -1.718 -3.752 1.00 0.00 H new ATOM 0 HA SER A 57 -3.963 0.270 -5.398 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.866 0.552 -6.387 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.395 -1.116 -6.130 1.00 0.00 H new ATOM 0 HG SER A 57 -1.934 -0.688 -8.348 1.00 0.00 H new ATOM 885 N ASP A 58 -4.914 -1.741 -6.821 1.00 0.00 N ATOM 886 CA ASP A 58 -5.784 -2.818 -7.263 1.00 0.00 C ATOM 887 C ASP A 58 -5.050 -3.665 -8.306 1.00 0.00 C ATOM 888 O ASP A 58 -3.861 -3.461 -8.552 1.00 0.00 O ATOM 889 CB ASP A 58 -7.055 -2.269 -7.912 1.00 0.00 C ATOM 890 CG ASP A 58 -8.353 -2.605 -7.174 1.00 0.00 C ATOM 891 OD1 ASP A 58 -8.277 -2.771 -5.937 1.00 0.00 O ATOM 892 OD2 ASP A 58 -9.392 -2.688 -7.863 1.00 0.00 O ATOM 0 H ASP A 58 -4.894 -0.929 -7.438 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.053 -3.413 -6.390 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.968 -1.185 -7.988 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.122 -2.655 -8.929 1.00 0.00 H new ATOM 897 N PHE A 59 -5.788 -4.597 -8.891 1.00 0.00 N ATOM 898 CA PHE A 59 -5.223 -5.475 -9.901 1.00 0.00 C ATOM 899 C PHE A 59 -5.897 -5.256 -11.257 1.00 0.00 C ATOM 900 O PHE A 59 -5.800 -6.100 -12.146 1.00 0.00 O ATOM 901 CB PHE A 59 -5.483 -6.911 -9.442 1.00 0.00 C ATOM 902 CG PHE A 59 -6.892 -7.143 -8.893 1.00 0.00 C ATOM 903 CD1 PHE A 59 -7.921 -6.355 -9.306 1.00 0.00 C ATOM 904 CD2 PHE A 59 -7.116 -8.137 -7.993 1.00 0.00 C ATOM 905 CE1 PHE A 59 -9.229 -6.570 -8.797 1.00 0.00 C ATOM 906 CE2 PHE A 59 -8.425 -8.352 -7.484 1.00 0.00 C ATOM 907 CZ PHE A 59 -9.453 -7.564 -7.896 1.00 0.00 C ATOM 0 H PHE A 59 -6.773 -4.763 -8.684 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.158 -5.271 -10.017 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.316 -7.586 -10.281 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.757 -7.173 -8.673 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.743 -5.566 -10.021 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.299 -8.763 -7.665 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -10.046 -5.944 -9.125 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.603 -9.142 -6.769 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.448 -7.727 -7.508 1.00 0.00 H new ATOM 917 N ASN A 60 -6.564 -4.117 -11.373 1.00 0.00 N ATOM 918 CA ASN A 60 -7.253 -3.776 -12.606 1.00 0.00 C ATOM 919 C ASN A 60 -6.245 -3.740 -13.756 1.00 0.00 C ATOM 920 O ASN A 60 -6.149 -4.689 -14.532 1.00 0.00 O ATOM 921 CB ASN A 60 -7.908 -2.397 -12.508 1.00 0.00 C ATOM 922 CG ASN A 60 -7.800 -1.839 -11.087 1.00 0.00 C ATOM 923 OD1 ASN A 60 -6.573 -1.453 -10.748 1.00 0.00 O flip ATOM 924 ND2 ASN A 60 -8.768 -1.763 -10.347 1.00 0.00 N flip ATOM 0 H ASN A 60 -6.642 -3.419 -10.634 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.022 -4.529 -12.781 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.430 -1.713 -13.209 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.957 -2.467 -12.796 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.683 -2.077 -10.670 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.662 -1.385 -9.406 1.00 0.00 H new ATOM 931 N MET A 61 -5.519 -2.633 -13.829 1.00 0.00 N ATOM 932 CA MET A 61 -4.522 -2.461 -14.871 1.00 0.00 C ATOM 933 C MET A 61 -3.492 -1.401 -14.475 1.00 0.00 C ATOM 934 O MET A 61 -3.179 -0.510 -15.263 1.00 0.00 O ATOM 935 CB MET A 61 -5.209 -2.045 -16.173 1.00 0.00 C ATOM 936 CG MET A 61 -5.914 -0.696 -16.013 1.00 0.00 C ATOM 937 SD MET A 61 -5.914 0.181 -17.567 1.00 0.00 S ATOM 938 CE MET A 61 -7.555 0.882 -17.527 1.00 0.00 C ATOM 0 H MET A 61 -5.602 -1.847 -13.184 1.00 0.00 H new ATOM 0 HA MET A 61 -4.004 -3.410 -15.011 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.472 -1.982 -16.973 1.00 0.00 H new ATOM 0 HB3 MET A 61 -5.933 -2.805 -16.466 1.00 0.00 H new ATOM 0 HG2 MET A 61 -6.938 -0.850 -15.673 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.411 -0.102 -15.251 1.00 0.00 H new ATOM 0 HE1 MET A 61 -7.880 1.105 -18.543 1.00 0.00 H new ATOM 0 HE2 MET A 61 -8.244 0.170 -17.074 1.00 0.00 H new ATOM 0 HE3 MET A 61 -7.544 1.800 -16.940 1.00 0.00 H new ATOM 948 N PRO A 62 -2.980 -1.536 -13.222 1.00 0.00 N ATOM 949 CA PRO A 62 -1.993 -0.601 -12.712 1.00 0.00 C ATOM 950 C PRO A 62 -0.620 -0.856 -13.337 1.00 0.00 C ATOM 951 O PRO A 62 -0.207 -2.005 -13.484 1.00 0.00 O ATOM 952 CB PRO A 62 -2.006 -0.798 -11.205 1.00 0.00 C ATOM 953 CG PRO A 62 -2.655 -2.151 -10.967 1.00 0.00 C ATOM 954 CD PRO A 62 -3.328 -2.579 -12.261 1.00 0.00 C ATOM 0 HA PRO A 62 -2.223 0.433 -12.967 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -0.995 -0.773 -10.799 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.567 -0.004 -10.712 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.908 -2.885 -10.664 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.385 -2.088 -10.160 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.971 -3.555 -12.589 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.408 -2.660 -12.138 1.00 0.00 H new ATOM 962 N LYS A 63 0.047 0.233 -13.687 1.00 0.00 N ATOM 963 CA LYS A 63 1.364 0.140 -14.292 1.00 0.00 C ATOM 964 C LYS A 63 2.397 -0.186 -13.211 1.00 0.00 C ATOM 965 O LYS A 63 3.491 -0.658 -13.514 1.00 0.00 O ATOM 966 CB LYS A 63 1.682 1.412 -15.082 1.00 0.00 C ATOM 967 CG LYS A 63 0.886 1.460 -16.388 1.00 0.00 C ATOM 968 CD LYS A 63 1.228 0.266 -17.282 1.00 0.00 C ATOM 969 CE LYS A 63 0.991 0.601 -18.757 1.00 0.00 C ATOM 970 NZ LYS A 63 1.563 -0.452 -19.625 1.00 0.00 N ATOM 0 H LYS A 63 -0.300 1.184 -13.563 1.00 0.00 H new ATOM 0 HA LYS A 63 1.393 -0.674 -15.016 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.448 2.288 -14.477 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.749 1.451 -15.301 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.182 1.460 -16.168 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.103 2.388 -16.916 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.270 -0.019 -17.133 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.619 -0.592 -16.998 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.078 0.697 -18.947 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.444 1.563 -18.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.394 -0.210 -20.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.586 -0.524 -19.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.111 -1.363 -19.409 1.00 0.00 H new ATOM 984 N MET A 64 2.012 0.079 -11.972 1.00 0.00 N ATOM 985 CA MET A 64 2.890 -0.180 -10.843 1.00 0.00 C ATOM 986 C MET A 64 2.127 -0.842 -9.695 1.00 0.00 C ATOM 987 O MET A 64 1.717 -0.171 -8.749 1.00 0.00 O ATOM 988 CB MET A 64 3.501 1.137 -10.359 1.00 0.00 C ATOM 989 CG MET A 64 5.004 0.985 -10.113 1.00 0.00 C ATOM 990 SD MET A 64 5.839 0.615 -11.647 1.00 0.00 S ATOM 991 CE MET A 64 6.293 2.264 -12.158 1.00 0.00 C ATOM 0 H MET A 64 1.103 0.471 -11.724 1.00 0.00 H new ATOM 0 HA MET A 64 3.678 -0.859 -11.168 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.327 1.917 -11.100 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.008 1.455 -9.440 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.405 1.903 -9.683 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.184 0.189 -9.390 1.00 0.00 H new ATOM 0 HE1 MET A 64 6.827 2.217 -13.107 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.394 2.868 -12.278 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.935 2.715 -11.402 1.00 0.00 H new ATOM 1001 N ASP A 65 1.957 -2.151 -9.816 1.00 0.00 N ATOM 1002 CA ASP A 65 1.250 -2.910 -8.799 1.00 0.00 C ATOM 1003 C ASP A 65 2.174 -3.133 -7.600 1.00 0.00 C ATOM 1004 O ASP A 65 3.348 -2.767 -7.639 1.00 0.00 O ATOM 1005 CB ASP A 65 0.828 -4.281 -9.331 1.00 0.00 C ATOM 1006 CG ASP A 65 -0.102 -5.074 -8.410 1.00 0.00 C ATOM 1007 OD1 ASP A 65 0.437 -5.775 -7.527 1.00 0.00 O ATOM 1008 OD2 ASP A 65 -1.331 -4.960 -8.610 1.00 0.00 O ATOM 0 H ASP A 65 2.297 -2.704 -10.603 1.00 0.00 H new ATOM 0 HA ASP A 65 0.363 -2.345 -8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.333 -4.144 -10.292 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.724 -4.874 -9.516 1.00 0.00 H new ATOM 1013 N GLY A 66 1.609 -3.733 -6.562 1.00 0.00 N ATOM 1014 CA GLY A 66 2.367 -4.008 -5.353 1.00 0.00 C ATOM 1015 C GLY A 66 3.835 -4.296 -5.680 1.00 0.00 C ATOM 1016 O GLY A 66 4.726 -3.580 -5.229 1.00 0.00 O ATOM 0 H GLY A 66 0.636 -4.036 -6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.302 -3.156 -4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.932 -4.862 -4.833 1.00 0.00 H new ATOM 1020 N LEU A 67 4.038 -5.346 -6.462 1.00 0.00 N ATOM 1021 CA LEU A 67 5.382 -5.738 -6.855 1.00 0.00 C ATOM 1022 C LEU A 67 6.061 -4.567 -7.569 1.00 0.00 C ATOM 1023 O LEU A 67 7.215 -4.250 -7.289 1.00 0.00 O ATOM 1024 CB LEU A 67 5.344 -7.024 -7.680 1.00 0.00 C ATOM 1025 CG LEU A 67 4.770 -8.257 -6.978 1.00 0.00 C ATOM 1026 CD1 LEU A 67 5.520 -9.524 -7.392 1.00 0.00 C ATOM 1027 CD2 LEU A 67 4.759 -8.066 -5.460 1.00 0.00 C ATOM 0 H LEU A 67 3.295 -5.938 -6.834 1.00 0.00 H new ATOM 0 HA LEU A 67 5.985 -5.969 -5.977 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.758 -6.837 -8.580 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.359 -7.255 -8.003 1.00 0.00 H new ATOM 0 HG LEU A 67 3.734 -8.380 -7.295 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.092 -10.385 -6.878 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.432 -9.663 -8.469 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.572 -9.428 -7.124 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.347 -8.956 -4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.777 -7.904 -5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.145 -7.202 -5.206 1.00 0.00 H new ATOM 1039 N GLY A 68 5.315 -3.958 -8.480 1.00 0.00 N ATOM 1040 CA GLY A 68 5.830 -2.830 -9.236 1.00 0.00 C ATOM 1041 C GLY A 68 6.344 -1.732 -8.303 1.00 0.00 C ATOM 1042 O GLY A 68 7.390 -1.137 -8.556 1.00 0.00 O ATOM 0 H GLY A 68 4.358 -4.225 -8.711 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.636 -3.164 -9.889 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.045 -2.429 -9.877 1.00 0.00 H new ATOM 1046 N LEU A 69 5.584 -1.497 -7.243 1.00 0.00 N ATOM 1047 CA LEU A 69 5.949 -0.482 -6.271 1.00 0.00 C ATOM 1048 C LEU A 69 7.254 -0.887 -5.581 1.00 0.00 C ATOM 1049 O LEU A 69 8.140 -0.056 -5.386 1.00 0.00 O ATOM 1050 CB LEU A 69 4.794 -0.228 -5.300 1.00 0.00 C ATOM 1051 CG LEU A 69 3.416 -0.027 -5.935 1.00 0.00 C ATOM 1052 CD1 LEU A 69 2.337 -0.771 -5.148 1.00 0.00 C ATOM 1053 CD2 LEU A 69 3.094 1.461 -6.086 1.00 0.00 C ATOM 0 H LEU A 69 4.717 -1.993 -7.037 1.00 0.00 H new ATOM 0 HA LEU A 69 6.133 0.471 -6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.735 -1.069 -4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.031 0.655 -4.707 1.00 0.00 H new ATOM 0 HG LEU A 69 3.435 -0.455 -6.937 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.367 -0.612 -5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.565 -1.837 -5.137 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.309 -0.395 -4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.110 1.576 -6.540 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.099 1.936 -5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.844 1.933 -6.721 1.00 0.00 H new ATOM 1065 N LEU A 70 7.330 -2.163 -5.233 1.00 0.00 N ATOM 1066 CA LEU A 70 8.512 -2.688 -4.570 1.00 0.00 C ATOM 1067 C LEU A 70 9.731 -2.476 -5.468 1.00 0.00 C ATOM 1068 O LEU A 70 10.790 -2.066 -4.996 1.00 0.00 O ATOM 1069 CB LEU A 70 8.293 -4.147 -4.164 1.00 0.00 C ATOM 1070 CG LEU A 70 9.500 -5.074 -4.319 1.00 0.00 C ATOM 1071 CD1 LEU A 70 9.610 -5.595 -5.753 1.00 0.00 C ATOM 1072 CD2 LEU A 70 10.785 -4.382 -3.859 1.00 0.00 C ATOM 0 H LEU A 70 6.593 -2.849 -5.397 1.00 0.00 H new ATOM 0 HA LEU A 70 8.702 -2.147 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.974 -4.170 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.472 -4.549 -4.758 1.00 0.00 H new ATOM 0 HG LEU A 70 9.352 -5.939 -3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.476 -6.252 -5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.708 -6.151 -6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.725 -4.755 -6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.628 -5.062 -3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.952 -3.488 -4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.692 -4.102 -2.810 1.00 0.00 H new ATOM 1084 N GLN A 71 9.542 -2.765 -6.747 1.00 0.00 N ATOM 1085 CA GLN A 71 10.614 -2.611 -7.716 1.00 0.00 C ATOM 1086 C GLN A 71 11.090 -1.158 -7.755 1.00 0.00 C ATOM 1087 O GLN A 71 12.279 -0.894 -7.930 1.00 0.00 O ATOM 1088 CB GLN A 71 10.173 -3.082 -9.102 1.00 0.00 C ATOM 1089 CG GLN A 71 10.367 -4.591 -9.258 1.00 0.00 C ATOM 1090 CD GLN A 71 10.792 -4.946 -10.685 1.00 0.00 C ATOM 1091 OE1 GLN A 71 11.732 -4.396 -11.235 1.00 0.00 O ATOM 1092 NE2 GLN A 71 10.049 -5.893 -11.251 1.00 0.00 N ATOM 0 H GLN A 71 8.662 -3.105 -7.135 1.00 0.00 H new ATOM 0 HA GLN A 71 11.450 -3.238 -7.406 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.124 -2.829 -9.259 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.746 -2.558 -9.867 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.122 -4.939 -8.553 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.439 -5.108 -9.012 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.276 -6.312 -10.734 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.252 -6.200 -12.202 1.00 0.00 H new ATOM 1101 N ALA A 72 10.137 -0.252 -7.590 1.00 0.00 N ATOM 1102 CA ALA A 72 10.443 1.168 -7.604 1.00 0.00 C ATOM 1103 C ALA A 72 11.266 1.521 -6.364 1.00 0.00 C ATOM 1104 O ALA A 72 12.265 2.232 -6.458 1.00 0.00 O ATOM 1105 CB ALA A 72 9.143 1.970 -7.690 1.00 0.00 C ATOM 0 H ALA A 72 9.152 -0.474 -7.446 1.00 0.00 H new ATOM 0 HA ALA A 72 11.041 1.423 -8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.373 3.035 -7.700 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.611 1.704 -8.604 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.517 1.742 -6.827 1.00 0.00 H new ATOM 1111 N VAL A 73 10.814 1.008 -5.229 1.00 0.00 N ATOM 1112 CA VAL A 73 11.496 1.259 -3.971 1.00 0.00 C ATOM 1113 C VAL A 73 12.959 0.830 -4.092 1.00 0.00 C ATOM 1114 O VAL A 73 13.847 1.473 -3.537 1.00 0.00 O ATOM 1115 CB VAL A 73 10.759 0.557 -2.827 1.00 0.00 C ATOM 1116 CG1 VAL A 73 9.244 0.671 -2.999 1.00 0.00 C ATOM 1117 CG2 VAL A 73 11.191 -0.906 -2.714 1.00 0.00 C ATOM 0 H VAL A 73 9.984 0.420 -5.154 1.00 0.00 H new ATOM 0 HA VAL A 73 11.489 2.324 -3.740 1.00 0.00 H new ATOM 0 HB VAL A 73 11.028 1.058 -1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.745 0.164 -2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.957 1.722 -3.006 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.949 0.208 -3.941 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.653 -1.382 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.966 -1.425 -3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.263 -0.955 -2.522 1.00 0.00 H new ATOM 1127 N ARG A 74 13.164 -0.256 -4.824 1.00 0.00 N ATOM 1128 CA ARG A 74 14.505 -0.779 -5.027 1.00 0.00 C ATOM 1129 C ARG A 74 15.391 0.275 -5.694 1.00 0.00 C ATOM 1130 O ARG A 74 16.616 0.200 -5.619 1.00 0.00 O ATOM 1131 CB ARG A 74 14.479 -2.038 -5.896 1.00 0.00 C ATOM 1132 CG ARG A 74 14.429 -3.299 -5.032 1.00 0.00 C ATOM 1133 CD ARG A 74 15.498 -4.304 -5.466 1.00 0.00 C ATOM 1134 NE ARG A 74 14.925 -5.668 -5.510 1.00 0.00 N ATOM 1135 CZ ARG A 74 15.427 -6.671 -6.241 1.00 0.00 C ATOM 1136 NH1 ARG A 74 16.518 -6.471 -6.993 1.00 0.00 N ATOM 1137 NH2 ARG A 74 14.839 -7.875 -6.220 1.00 0.00 N ATOM 0 H ARG A 74 12.425 -0.788 -5.283 1.00 0.00 H new ATOM 0 HA ARG A 74 14.913 -1.035 -4.049 1.00 0.00 H new ATOM 0 HB2 ARG A 74 13.612 -2.011 -6.556 1.00 0.00 H new ATOM 0 HB3 ARG A 74 15.364 -2.064 -6.532 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.578 -3.033 -3.985 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.443 -3.757 -5.107 1.00 0.00 H new ATOM 0 HD2 ARG A 74 15.887 -4.032 -6.448 1.00 0.00 H new ATOM 0 HD3 ARG A 74 16.338 -4.276 -4.772 1.00 0.00 H new ATOM 0 HE ARG A 74 14.095 -5.856 -4.948 1.00 0.00 H new ATOM 0 HH11 ARG A 74 16.966 -5.555 -7.008 1.00 0.00 H new ATOM 0 HH12 ARG A 74 16.901 -7.235 -7.550 1.00 0.00 H new ATOM 0 HH21 ARG A 74 14.009 -8.027 -5.647 1.00 0.00 H new ATOM 0 HH22 ARG A 74 15.221 -8.639 -6.777 1.00 0.00 H new ATOM 1151 N ALA A 75 14.736 1.234 -6.333 1.00 0.00 N ATOM 1152 CA ALA A 75 15.449 2.302 -7.013 1.00 0.00 C ATOM 1153 C ALA A 75 15.457 3.549 -6.127 1.00 0.00 C ATOM 1154 O ALA A 75 16.343 4.394 -6.246 1.00 0.00 O ATOM 1155 CB ALA A 75 14.803 2.560 -8.376 1.00 0.00 C ATOM 0 H ALA A 75 13.720 1.293 -6.394 1.00 0.00 H new ATOM 0 HA ALA A 75 16.486 2.018 -7.192 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.338 3.361 -8.886 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.849 1.652 -8.978 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.762 2.850 -8.236 1.00 0.00 H new ATOM 1161 N ASN A 76 14.461 3.624 -5.256 1.00 0.00 N ATOM 1162 CA ASN A 76 14.343 4.754 -4.350 1.00 0.00 C ATOM 1163 C ASN A 76 14.100 4.240 -2.930 1.00 0.00 C ATOM 1164 O ASN A 76 13.066 3.634 -2.654 1.00 0.00 O ATOM 1165 CB ASN A 76 13.164 5.649 -4.737 1.00 0.00 C ATOM 1166 CG ASN A 76 13.612 7.101 -4.910 1.00 0.00 C ATOM 1167 OD1 ASN A 76 13.554 7.822 -3.795 1.00 0.00 O flip ATOM 1168 ND2 ASN A 76 13.987 7.538 -5.987 1.00 0.00 N flip ATOM 0 H ASN A 76 13.729 2.921 -5.159 1.00 0.00 H new ATOM 0 HA ASN A 76 15.267 5.330 -4.407 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.719 5.289 -5.665 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.392 5.592 -3.970 1.00 0.00 H new ATOM 0 HD21 ASN A 76 14.007 6.929 -6.805 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.280 8.512 -6.068 1.00 0.00 H new ATOM 1175 N PRO A 77 15.097 4.507 -2.044 1.00 0.00 N ATOM 1176 CA PRO A 77 15.001 4.077 -0.658 1.00 0.00 C ATOM 1177 C PRO A 77 14.023 4.958 0.122 1.00 0.00 C ATOM 1178 O PRO A 77 13.729 4.686 1.285 1.00 0.00 O ATOM 1179 CB PRO A 77 16.423 4.151 -0.125 1.00 0.00 C ATOM 1180 CG PRO A 77 17.181 5.055 -1.083 1.00 0.00 C ATOM 1181 CD PRO A 77 16.335 5.222 -2.335 1.00 0.00 C ATOM 0 HA PRO A 77 14.604 3.067 -0.556 1.00 0.00 H new ATOM 0 HB2 PRO A 77 16.440 4.554 0.888 1.00 0.00 H new ATOM 0 HB3 PRO A 77 16.876 3.160 -0.082 1.00 0.00 H new ATOM 0 HG2 PRO A 77 17.375 6.023 -0.621 1.00 0.00 H new ATOM 0 HG3 PRO A 77 18.149 4.621 -1.332 1.00 0.00 H new ATOM 0 HD2 PRO A 77 16.144 6.274 -2.546 1.00 0.00 H new ATOM 0 HD3 PRO A 77 16.836 4.807 -3.210 1.00 0.00 H new ATOM 1189 N ALA A 78 13.546 5.996 -0.549 1.00 0.00 N ATOM 1190 CA ALA A 78 12.608 6.918 0.068 1.00 0.00 C ATOM 1191 C ALA A 78 11.254 6.226 0.235 1.00 0.00 C ATOM 1192 O ALA A 78 10.528 6.495 1.191 1.00 0.00 O ATOM 1193 CB ALA A 78 12.512 8.190 -0.778 1.00 0.00 C ATOM 0 H ALA A 78 13.791 6.219 -1.514 1.00 0.00 H new ATOM 0 HA ALA A 78 12.953 7.210 1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.808 8.882 -0.316 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.494 8.659 -0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.165 7.936 -1.780 1.00 0.00 H new ATOM 1199 N THR A 79 10.954 5.347 -0.710 1.00 0.00 N ATOM 1200 CA THR A 79 9.700 4.614 -0.680 1.00 0.00 C ATOM 1201 C THR A 79 9.931 3.184 -0.188 1.00 0.00 C ATOM 1202 O THR A 79 9.017 2.360 -0.213 1.00 0.00 O ATOM 1203 CB THR A 79 9.077 4.684 -2.075 1.00 0.00 C ATOM 1204 OG1 THR A 79 7.766 4.154 -1.898 1.00 0.00 O ATOM 1205 CG2 THR A 79 9.738 3.718 -3.061 1.00 0.00 C ATOM 0 H THR A 79 11.558 5.126 -1.502 1.00 0.00 H new ATOM 0 HA THR A 79 8.999 5.058 0.026 1.00 0.00 H new ATOM 0 HB THR A 79 9.155 5.702 -2.456 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.808 3.365 -1.319 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.258 3.808 -4.036 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.797 3.961 -3.154 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.631 2.696 -2.697 1.00 0.00 H new ATOM 1213 N LYS A 80 11.155 2.932 0.247 1.00 0.00 N ATOM 1214 CA LYS A 80 11.518 1.615 0.744 1.00 0.00 C ATOM 1215 C LYS A 80 10.986 1.448 2.169 1.00 0.00 C ATOM 1216 O LYS A 80 11.072 0.365 2.744 1.00 0.00 O ATOM 1217 CB LYS A 80 13.027 1.393 0.620 1.00 0.00 C ATOM 1218 CG LYS A 80 13.781 2.110 1.742 1.00 0.00 C ATOM 1219 CD LYS A 80 14.320 1.110 2.766 1.00 0.00 C ATOM 1220 CE LYS A 80 15.850 1.100 2.770 1.00 0.00 C ATOM 1221 NZ LYS A 80 16.362 0.424 3.982 1.00 0.00 N ATOM 0 H LYS A 80 11.910 3.618 0.266 1.00 0.00 H new ATOM 0 HA LYS A 80 11.054 0.837 0.137 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.245 0.326 0.655 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.374 1.758 -0.347 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.606 2.685 1.321 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.117 2.819 2.236 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.952 1.367 3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.947 0.112 2.536 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.218 0.590 1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.226 2.122 2.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.402 0.427 3.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.026 0.927 4.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.019 -0.557 4.003 1.00 0.00 H new ATOM 1235 N LYS A 81 10.450 2.539 2.698 1.00 0.00 N ATOM 1236 CA LYS A 81 9.905 2.527 4.045 1.00 0.00 C ATOM 1237 C LYS A 81 8.378 2.575 3.972 1.00 0.00 C ATOM 1238 O LYS A 81 7.709 2.728 4.994 1.00 0.00 O ATOM 1239 CB LYS A 81 10.517 3.652 4.880 1.00 0.00 C ATOM 1240 CG LYS A 81 9.964 5.014 4.455 1.00 0.00 C ATOM 1241 CD LYS A 81 10.851 6.151 4.966 1.00 0.00 C ATOM 1242 CE LYS A 81 11.982 6.449 3.980 1.00 0.00 C ATOM 1243 NZ LYS A 81 13.289 6.455 4.676 1.00 0.00 N ATOM 0 H LYS A 81 10.382 3.436 2.218 1.00 0.00 H new ATOM 0 HA LYS A 81 10.171 1.602 4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.305 3.483 5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.601 3.645 4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.898 5.060 3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.952 5.136 4.841 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.249 7.047 5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.270 5.882 5.936 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.989 5.700 3.188 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.812 7.415 3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.046 6.659 3.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.285 7.186 5.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.456 5.524 5.110 1.00 0.00 H new ATOM 1257 N ALA A 82 7.870 2.442 2.756 1.00 0.00 N ATOM 1258 CA ALA A 82 6.434 2.469 2.538 1.00 0.00 C ATOM 1259 C ALA A 82 5.931 1.043 2.302 1.00 0.00 C ATOM 1260 O ALA A 82 6.474 0.320 1.468 1.00 0.00 O ATOM 1261 CB ALA A 82 6.113 3.400 1.367 1.00 0.00 C ATOM 0 H ALA A 82 8.427 2.315 1.911 1.00 0.00 H new ATOM 0 HA ALA A 82 5.920 2.859 3.417 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.036 3.420 1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.464 4.406 1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.610 3.037 0.467 1.00 0.00 H new ATOM 1267 N ALA A 83 4.900 0.682 3.052 1.00 0.00 N ATOM 1268 CA ALA A 83 4.319 -0.644 2.935 1.00 0.00 C ATOM 1269 C ALA A 83 3.217 -0.622 1.875 1.00 0.00 C ATOM 1270 O ALA A 83 2.250 0.129 1.994 1.00 0.00 O ATOM 1271 CB ALA A 83 3.803 -1.098 4.303 1.00 0.00 C ATOM 0 H ALA A 83 4.453 1.285 3.743 1.00 0.00 H new ATOM 0 HA ALA A 83 5.071 -1.365 2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.367 -2.093 4.215 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.630 -1.125 5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.045 -0.399 4.656 1.00 0.00 H new ATOM 1277 N PHE A 84 3.398 -1.454 0.860 1.00 0.00 N ATOM 1278 CA PHE A 84 2.431 -1.540 -0.221 1.00 0.00 C ATOM 1279 C PHE A 84 1.480 -2.721 -0.015 1.00 0.00 C ATOM 1280 O PHE A 84 1.858 -3.730 0.579 1.00 0.00 O ATOM 1281 CB PHE A 84 3.222 -1.757 -1.512 1.00 0.00 C ATOM 1282 CG PHE A 84 4.740 -1.750 -1.321 1.00 0.00 C ATOM 1283 CD1 PHE A 84 5.392 -0.577 -1.096 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.438 -2.916 -1.376 1.00 0.00 C ATOM 1285 CE1 PHE A 84 6.801 -0.571 -0.918 1.00 0.00 C ATOM 1286 CE2 PHE A 84 6.847 -2.909 -1.199 1.00 0.00 C ATOM 1287 CZ PHE A 84 7.499 -1.737 -0.974 1.00 0.00 C ATOM 0 H PHE A 84 4.201 -2.075 0.763 1.00 0.00 H new ATOM 0 HA PHE A 84 1.833 -0.629 -0.258 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.926 -2.710 -1.952 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.952 -0.979 -2.226 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.838 0.349 -1.053 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.921 -3.847 -1.554 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.318 0.360 -0.738 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.401 -3.835 -1.243 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.571 -1.732 -0.840 1.00 0.00 H new ATOM 1297 N ILE A 85 0.266 -2.555 -0.515 1.00 0.00 N ATOM 1298 CA ILE A 85 -0.743 -3.595 -0.394 1.00 0.00 C ATOM 1299 C ILE A 85 -1.214 -4.008 -1.790 1.00 0.00 C ATOM 1300 O ILE A 85 -1.487 -3.156 -2.634 1.00 0.00 O ATOM 1301 CB ILE A 85 -1.874 -3.138 0.528 1.00 0.00 C ATOM 1302 CG1 ILE A 85 -1.719 -3.739 1.927 1.00 0.00 C ATOM 1303 CG2 ILE A 85 -3.241 -3.456 -0.082 1.00 0.00 C ATOM 1304 CD1 ILE A 85 -1.356 -2.660 2.949 1.00 0.00 C ATOM 0 H ILE A 85 -0.043 -1.716 -1.005 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.321 -4.484 0.075 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.811 -2.055 0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.648 -4.227 2.222 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.946 -4.507 1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.028 -3.121 0.594 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.341 -2.943 -1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.329 -4.531 -0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.252 -3.113 3.935 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.414 -2.191 2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.143 -1.906 2.977 1.00 0.00 H new ATOM 1316 N ILE A 86 -1.297 -5.315 -1.989 1.00 0.00 N ATOM 1317 CA ILE A 86 -1.732 -5.852 -3.267 1.00 0.00 C ATOM 1318 C ILE A 86 -2.797 -6.925 -3.030 1.00 0.00 C ATOM 1319 O ILE A 86 -2.503 -7.982 -2.474 1.00 0.00 O ATOM 1320 CB ILE A 86 -0.531 -6.345 -4.077 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -0.983 -7.207 -5.257 1.00 0.00 C ATOM 1322 CG2 ILE A 86 0.471 -7.076 -3.183 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -2.038 -6.483 -6.095 1.00 0.00 C ATOM 0 H ILE A 86 -1.070 -6.018 -1.286 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.196 -5.071 -3.870 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.018 -5.477 -4.491 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.124 -7.453 -5.881 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.390 -8.149 -4.889 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.315 -7.416 -3.784 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.828 -6.399 -2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.014 -7.935 -2.720 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.341 -7.119 -6.927 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.906 -6.260 -5.474 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.620 -5.554 -6.482 1.00 0.00 H new ATOM 1335 N LEU A 87 -4.010 -6.616 -3.463 1.00 0.00 N ATOM 1336 CA LEU A 87 -5.119 -7.541 -3.305 1.00 0.00 C ATOM 1337 C LEU A 87 -5.281 -8.359 -4.587 1.00 0.00 C ATOM 1338 O LEU A 87 -5.317 -7.803 -5.684 1.00 0.00 O ATOM 1339 CB LEU A 87 -6.386 -6.791 -2.890 1.00 0.00 C ATOM 1340 CG LEU A 87 -7.482 -6.687 -3.952 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -6.979 -5.936 -5.187 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.036 -8.068 -4.307 1.00 0.00 C ATOM 0 H LEU A 87 -4.249 -5.738 -3.923 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.915 -8.247 -2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.804 -7.283 -2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.105 -5.783 -2.587 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.306 -6.108 -3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.777 -5.876 -5.927 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.673 -4.930 -4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.128 -6.467 -5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.813 -7.965 -5.064 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.232 -8.694 -4.695 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.458 -8.531 -3.415 1.00 0.00 H new ATOM 1354 N THR A 88 -5.373 -9.669 -4.407 1.00 0.00 N ATOM 1355 CA THR A 88 -5.530 -10.571 -5.535 1.00 0.00 C ATOM 1356 C THR A 88 -6.304 -11.822 -5.114 1.00 0.00 C ATOM 1357 O THR A 88 -6.399 -12.127 -3.926 1.00 0.00 O ATOM 1358 CB THR A 88 -4.140 -10.875 -6.094 1.00 0.00 C ATOM 1359 OG1 THR A 88 -4.305 -12.111 -6.784 1.00 0.00 O ATOM 1360 CG2 THR A 88 -3.124 -11.196 -4.996 1.00 0.00 C ATOM 0 H THR A 88 -5.342 -10.127 -3.496 1.00 0.00 H new ATOM 0 HA THR A 88 -6.121 -10.114 -6.328 1.00 0.00 H new ATOM 0 HB THR A 88 -3.790 -10.022 -6.676 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.086 -11.988 -7.731 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.154 -11.404 -5.447 1.00 0.00 H new ATOM 0 HG22 THR A 88 -3.035 -10.344 -4.322 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.458 -12.069 -4.435 1.00 0.00 H new ATOM 1368 N ALA A 89 -6.836 -12.513 -6.111 1.00 0.00 N ATOM 1369 CA ALA A 89 -7.597 -13.725 -5.859 1.00 0.00 C ATOM 1370 C ALA A 89 -6.633 -14.880 -5.581 1.00 0.00 C ATOM 1371 O ALA A 89 -6.872 -16.008 -6.009 1.00 0.00 O ATOM 1372 CB ALA A 89 -8.517 -14.007 -7.050 1.00 0.00 C ATOM 0 H ALA A 89 -6.755 -12.257 -7.095 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.229 -13.605 -4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.088 -14.916 -6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.202 -13.170 -7.187 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.917 -14.136 -7.951 1.00 0.00 H new ATOM 1378 N GLN A 90 -5.565 -14.558 -4.867 1.00 0.00 N ATOM 1379 CA GLN A 90 -4.563 -15.555 -4.528 1.00 0.00 C ATOM 1380 C GLN A 90 -4.351 -15.599 -3.013 1.00 0.00 C ATOM 1381 O GLN A 90 -4.537 -16.641 -2.386 1.00 0.00 O ATOM 1382 CB GLN A 90 -3.248 -15.281 -5.259 1.00 0.00 C ATOM 1383 CG GLN A 90 -3.323 -15.744 -6.715 1.00 0.00 C ATOM 1384 CD GLN A 90 -3.398 -14.549 -7.666 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -4.438 -14.226 -8.218 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -2.243 -13.911 -7.827 1.00 0.00 N ATOM 0 H GLN A 90 -5.371 -13.621 -4.514 1.00 0.00 H new ATOM 0 HA GLN A 90 -4.924 -16.531 -4.853 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.024 -14.215 -5.224 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.432 -15.795 -4.752 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -2.448 -16.349 -6.954 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.198 -16.379 -6.854 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.409 -14.233 -7.335 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -2.190 -13.099 -8.442 1.00 0.00 H new ATOM 1395 N GLY A 91 -3.964 -14.454 -2.469 1.00 0.00 N ATOM 1396 CA GLY A 91 -3.724 -14.349 -1.039 1.00 0.00 C ATOM 1397 C GLY A 91 -2.894 -15.531 -0.534 1.00 0.00 C ATOM 1398 O GLY A 91 -3.409 -16.404 0.162 1.00 0.00 O ATOM 0 H GLY A 91 -3.811 -13.592 -2.992 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.204 -13.416 -0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.676 -14.315 -0.508 1.00 0.00 H new ATOM 1402 N ASP A 92 -1.621 -15.519 -0.904 1.00 0.00 N ATOM 1403 CA ASP A 92 -0.715 -16.579 -0.497 1.00 0.00 C ATOM 1404 C ASP A 92 0.502 -15.964 0.198 1.00 0.00 C ATOM 1405 O ASP A 92 1.233 -15.178 -0.403 1.00 0.00 O ATOM 1406 CB ASP A 92 -0.218 -17.373 -1.706 1.00 0.00 C ATOM 1407 CG ASP A 92 -0.595 -18.855 -1.707 1.00 0.00 C ATOM 1408 OD1 ASP A 92 -0.474 -19.472 -0.626 1.00 0.00 O ATOM 1409 OD2 ASP A 92 -0.996 -19.339 -2.787 1.00 0.00 O ATOM 0 H ASP A 92 -1.197 -14.792 -1.481 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.256 -17.246 0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.614 -16.913 -2.611 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.868 -17.290 -1.755 1.00 0.00 H new ATOM 1414 N ARG A 93 0.682 -16.345 1.453 1.00 0.00 N ATOM 1415 CA ARG A 93 1.798 -15.841 2.236 1.00 0.00 C ATOM 1416 C ARG A 93 3.119 -16.112 1.513 1.00 0.00 C ATOM 1417 O ARG A 93 4.101 -15.401 1.720 1.00 0.00 O ATOM 1418 CB ARG A 93 1.840 -16.492 3.620 1.00 0.00 C ATOM 1419 CG ARG A 93 1.952 -18.014 3.506 1.00 0.00 C ATOM 1420 CD ARG A 93 0.938 -18.709 4.417 1.00 0.00 C ATOM 1421 NE ARG A 93 0.440 -19.944 3.771 1.00 0.00 N ATOM 1422 CZ ARG A 93 -0.610 -20.651 4.211 1.00 0.00 C ATOM 1423 NH1 ARG A 93 -1.278 -20.251 5.301 1.00 0.00 N ATOM 1424 NH2 ARG A 93 -0.990 -21.761 3.562 1.00 0.00 N ATOM 0 H ARG A 93 0.074 -16.997 1.948 1.00 0.00 H new ATOM 0 HA ARG A 93 1.659 -14.767 2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.688 -16.102 4.184 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.940 -16.230 4.176 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.786 -18.318 2.473 1.00 0.00 H new ATOM 0 HG3 ARG A 93 2.961 -18.329 3.772 1.00 0.00 H new ATOM 0 HD2 ARG A 93 1.402 -18.951 5.373 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.105 -18.038 4.627 1.00 0.00 H new ATOM 0 HE ARG A 93 0.926 -20.278 2.939 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.988 -19.408 5.796 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -2.077 -20.789 5.636 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.480 -22.067 2.733 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.789 -22.299 3.897 1.00 0.00 H new ATOM 1438 N ALA A 94 3.099 -17.141 0.678 1.00 0.00 N ATOM 1439 CA ALA A 94 4.284 -17.514 -0.077 1.00 0.00 C ATOM 1440 C ALA A 94 4.703 -16.344 -0.971 1.00 0.00 C ATOM 1441 O ALA A 94 5.873 -15.966 -0.996 1.00 0.00 O ATOM 1442 CB ALA A 94 3.998 -18.786 -0.878 1.00 0.00 C ATOM 0 H ALA A 94 2.282 -17.728 0.508 1.00 0.00 H new ATOM 0 HA ALA A 94 5.115 -17.730 0.594 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.886 -19.067 -1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.733 -19.594 -0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.171 -18.605 -1.565 1.00 0.00 H new ATOM 1448 N LEU A 95 3.724 -15.804 -1.683 1.00 0.00 N ATOM 1449 CA LEU A 95 3.977 -14.686 -2.575 1.00 0.00 C ATOM 1450 C LEU A 95 4.353 -13.454 -1.748 1.00 0.00 C ATOM 1451 O LEU A 95 5.186 -12.652 -2.167 1.00 0.00 O ATOM 1452 CB LEU A 95 2.783 -14.462 -3.505 1.00 0.00 C ATOM 1453 CG LEU A 95 2.837 -15.185 -4.853 1.00 0.00 C ATOM 1454 CD1 LEU A 95 2.551 -16.679 -4.685 1.00 0.00 C ATOM 1455 CD2 LEU A 95 1.895 -14.530 -5.865 1.00 0.00 C ATOM 0 H LEU A 95 2.755 -16.120 -1.660 1.00 0.00 H new ATOM 0 HA LEU A 95 4.823 -14.903 -3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.878 -14.774 -2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.690 -13.392 -3.692 1.00 0.00 H new ATOM 0 HG LEU A 95 3.848 -15.094 -5.250 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.595 -17.170 -5.657 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.295 -17.120 -4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.558 -16.813 -4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.953 -15.063 -6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.873 -14.569 -5.489 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.187 -13.491 -6.014 1.00 0.00 H new ATOM 1467 N VAL A 96 3.720 -13.343 -0.590 1.00 0.00 N ATOM 1468 CA VAL A 96 3.977 -12.224 0.299 1.00 0.00 C ATOM 1469 C VAL A 96 5.448 -12.239 0.721 1.00 0.00 C ATOM 1470 O VAL A 96 6.123 -11.213 0.670 1.00 0.00 O ATOM 1471 CB VAL A 96 3.014 -12.267 1.487 1.00 0.00 C ATOM 1472 CG1 VAL A 96 3.251 -11.084 2.428 1.00 0.00 C ATOM 1473 CG2 VAL A 96 1.560 -12.307 1.013 1.00 0.00 C ATOM 0 H VAL A 96 3.029 -14.010 -0.247 1.00 0.00 H new ATOM 0 HA VAL A 96 3.796 -11.280 -0.215 1.00 0.00 H new ATOM 0 HB VAL A 96 3.210 -13.183 2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.553 -11.139 3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.273 -11.118 2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.096 -10.151 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.896 -12.337 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.345 -11.417 0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.401 -13.196 0.402 1.00 0.00 H new ATOM 1483 N GLN A 97 5.901 -13.416 1.126 1.00 0.00 N ATOM 1484 CA GLN A 97 7.280 -13.579 1.556 1.00 0.00 C ATOM 1485 C GLN A 97 8.222 -13.512 0.353 1.00 0.00 C ATOM 1486 O GLN A 97 9.368 -13.083 0.481 1.00 0.00 O ATOM 1487 CB GLN A 97 7.463 -14.890 2.323 1.00 0.00 C ATOM 1488 CG GLN A 97 8.179 -14.651 3.654 1.00 0.00 C ATOM 1489 CD GLN A 97 9.644 -15.088 3.574 1.00 0.00 C ATOM 1490 OE1 GLN A 97 9.963 -16.244 3.354 1.00 0.00 O ATOM 1491 NE2 GLN A 97 10.514 -14.101 3.767 1.00 0.00 N ATOM 0 H GLN A 97 5.338 -14.266 1.166 1.00 0.00 H new ATOM 0 HA GLN A 97 7.528 -12.762 2.233 1.00 0.00 H new ATOM 0 HB2 GLN A 97 6.491 -15.347 2.506 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.037 -15.592 1.718 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.125 -13.594 3.916 1.00 0.00 H new ATOM 0 HG3 GLN A 97 7.674 -15.202 4.447 1.00 0.00 H new ATOM 0 HE21 GLN A 97 10.180 -13.154 3.947 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.516 -14.291 3.735 1.00 0.00 H new ATOM 1500 N LYS A 98 7.704 -13.941 -0.789 1.00 0.00 N ATOM 1501 CA LYS A 98 8.486 -13.935 -2.013 1.00 0.00 C ATOM 1502 C LYS A 98 8.887 -12.497 -2.351 1.00 0.00 C ATOM 1503 O LYS A 98 10.070 -12.198 -2.505 1.00 0.00 O ATOM 1504 CB LYS A 98 7.725 -14.641 -3.138 1.00 0.00 C ATOM 1505 CG LYS A 98 8.679 -15.088 -4.248 1.00 0.00 C ATOM 1506 CD LYS A 98 7.951 -15.953 -5.279 1.00 0.00 C ATOM 1507 CE LYS A 98 8.070 -17.439 -4.931 1.00 0.00 C ATOM 1508 NZ LYS A 98 7.024 -18.220 -5.628 1.00 0.00 N ATOM 0 H LYS A 98 6.753 -14.295 -0.892 1.00 0.00 H new ATOM 0 HA LYS A 98 9.408 -14.500 -1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.196 -15.506 -2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.971 -13.969 -3.550 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.107 -14.214 -4.738 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.508 -15.650 -3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.900 -15.669 -5.320 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.369 -15.773 -6.270 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.056 -17.807 -5.214 1.00 0.00 H new ATOM 0 HE3 LYS A 98 7.976 -17.575 -3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 7.119 -19.226 -5.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.085 -17.879 -5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.132 -18.104 -6.656 1.00 0.00 H new ATOM 1522 N ALA A 99 7.878 -11.645 -2.455 1.00 0.00 N ATOM 1523 CA ALA A 99 8.109 -10.245 -2.771 1.00 0.00 C ATOM 1524 C ALA A 99 8.693 -9.540 -1.545 1.00 0.00 C ATOM 1525 O ALA A 99 9.685 -8.822 -1.651 1.00 0.00 O ATOM 1526 CB ALA A 99 6.804 -9.606 -3.246 1.00 0.00 C ATOM 0 H ALA A 99 6.898 -11.897 -2.326 1.00 0.00 H new ATOM 0 HA ALA A 99 8.831 -10.148 -3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.978 -8.556 -3.483 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.448 -10.125 -4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.054 -9.681 -2.458 1.00 0.00 H new ATOM 1532 N ALA A 100 8.051 -9.770 -0.408 1.00 0.00 N ATOM 1533 CA ALA A 100 8.493 -9.166 0.836 1.00 0.00 C ATOM 1534 C ALA A 100 9.973 -9.487 1.057 1.00 0.00 C ATOM 1535 O ALA A 100 10.687 -8.728 1.710 1.00 0.00 O ATOM 1536 CB ALA A 100 7.611 -9.660 1.985 1.00 0.00 C ATOM 0 H ALA A 100 7.228 -10.367 -0.324 1.00 0.00 H new ATOM 0 HA ALA A 100 8.394 -8.081 0.792 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.943 -9.207 2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.575 -9.381 1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.687 -10.745 2.061 1.00 0.00 H new ATOM 1542 N ALA A 101 10.390 -10.615 0.500 1.00 0.00 N ATOM 1543 CA ALA A 101 11.771 -11.047 0.628 1.00 0.00 C ATOM 1544 C ALA A 101 12.551 -10.621 -0.618 1.00 0.00 C ATOM 1545 O ALA A 101 13.776 -10.517 -0.582 1.00 0.00 O ATOM 1546 CB ALA A 101 11.815 -12.559 0.853 1.00 0.00 C ATOM 0 H ALA A 101 9.795 -11.243 -0.041 1.00 0.00 H new ATOM 0 HA ALA A 101 12.242 -10.575 1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.851 -12.883 0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.272 -12.807 1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.353 -13.066 0.006 1.00 0.00 H new ATOM 1552 N LEU A 102 11.810 -10.383 -1.689 1.00 0.00 N ATOM 1553 CA LEU A 102 12.416 -9.970 -2.944 1.00 0.00 C ATOM 1554 C LEU A 102 13.028 -8.578 -2.775 1.00 0.00 C ATOM 1555 O LEU A 102 13.918 -8.192 -3.531 1.00 0.00 O ATOM 1556 CB LEU A 102 11.402 -10.062 -4.086 1.00 0.00 C ATOM 1557 CG LEU A 102 11.964 -9.889 -5.498 1.00 0.00 C ATOM 1558 CD1 LEU A 102 11.745 -11.150 -6.334 1.00 0.00 C ATOM 1559 CD2 LEU A 102 11.381 -8.645 -6.171 1.00 0.00 C ATOM 0 H LEU A 102 10.794 -10.468 -1.714 1.00 0.00 H new ATOM 0 HA LEU A 102 13.227 -10.645 -3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.908 -11.032 -4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.635 -9.304 -3.926 1.00 0.00 H new ATOM 0 HG LEU A 102 13.041 -9.738 -5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 102 12.154 -11.000 -7.333 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.247 -11.993 -5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.677 -11.358 -6.406 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.797 -8.545 -7.174 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.297 -8.740 -6.236 1.00 0.00 H new ATOM 0 HD23 LEU A 102 11.633 -7.762 -5.584 1.00 0.00 H new ATOM 1571 N GLY A 103 12.526 -7.862 -1.779 1.00 0.00 N ATOM 1572 CA GLY A 103 13.012 -6.522 -1.502 1.00 0.00 C ATOM 1573 C GLY A 103 11.884 -5.625 -0.990 1.00 0.00 C ATOM 1574 O GLY A 103 12.138 -4.603 -0.353 1.00 0.00 O ATOM 0 H GLY A 103 11.787 -8.185 -1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.811 -6.567 -0.761 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.441 -6.092 -2.407 1.00 0.00 H new ATOM 1578 N ALA A 104 10.661 -6.038 -1.287 1.00 0.00 N ATOM 1579 CA ALA A 104 9.493 -5.285 -0.866 1.00 0.00 C ATOM 1580 C ALA A 104 9.607 -4.968 0.627 1.00 0.00 C ATOM 1581 O ALA A 104 10.145 -5.765 1.394 1.00 0.00 O ATOM 1582 CB ALA A 104 8.226 -6.076 -1.199 1.00 0.00 C ATOM 0 H ALA A 104 10.454 -6.886 -1.815 1.00 0.00 H new ATOM 0 HA ALA A 104 9.435 -4.337 -1.401 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.350 -5.510 -0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.177 -6.249 -2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.247 -7.033 -0.678 1.00 0.00 H new ATOM 1588 N ASN A 105 9.091 -3.804 0.994 1.00 0.00 N ATOM 1589 CA ASN A 105 9.129 -3.373 2.381 1.00 0.00 C ATOM 1590 C ASN A 105 7.985 -4.038 3.148 1.00 0.00 C ATOM 1591 O ASN A 105 8.143 -4.403 4.313 1.00 0.00 O ATOM 1592 CB ASN A 105 8.952 -1.857 2.492 1.00 0.00 C ATOM 1593 CG ASN A 105 9.389 -1.354 3.869 1.00 0.00 C ATOM 1594 OD1 ASN A 105 10.548 -1.418 4.244 1.00 0.00 O ATOM 1595 ND2 ASN A 105 8.399 -0.850 4.600 1.00 0.00 N ATOM 0 H ASN A 105 8.644 -3.146 0.355 1.00 0.00 H new ATOM 0 HA ASN A 105 10.097 -3.655 2.795 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.537 -1.361 1.717 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.908 -1.595 2.320 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.588 -0.487 5.534 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.450 -0.826 4.226 1.00 0.00 H new ATOM 1602 N ASN A 106 6.858 -4.179 2.465 1.00 0.00 N ATOM 1603 CA ASN A 106 5.689 -4.795 3.067 1.00 0.00 C ATOM 1604 C ASN A 106 4.613 -4.993 1.998 1.00 0.00 C ATOM 1605 O ASN A 106 4.251 -4.050 1.296 1.00 0.00 O ATOM 1606 CB ASN A 106 5.103 -3.907 4.167 1.00 0.00 C ATOM 1607 CG ASN A 106 5.378 -4.496 5.553 1.00 0.00 C ATOM 1608 OD1 ASN A 106 5.931 -5.573 5.699 1.00 0.00 O ATOM 1609 ND2 ASN A 106 4.959 -3.733 6.558 1.00 0.00 N ATOM 0 H ASN A 106 6.730 -3.877 1.499 1.00 0.00 H new ATOM 0 HA ASN A 106 5.996 -5.749 3.497 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.534 -2.908 4.101 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.028 -3.801 4.020 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.094 -4.039 7.522 1.00 0.00 H new ATOM 0 HD22 ASN A 106 4.503 -2.841 6.365 1.00 0.00 H new