USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 552 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 10 CYS SG : rot 180:sc= 0.407 USER MOD Set 1.2: A 54 LYS NZ :NH3+ -159:sc= -1.85 (180deg=-2.06!) USER MOD Set 1.3: A 81 THR OG1 : rot -46:sc= -0.279 USER MOD Set 2.1: A 8 GLN : amide:sc= -2.46 K(o=-3.3,f=-7.3!) USER MOD Set 2.2: A 83 GLN : amide:sc= -0.841 X(o=-3.3,f=-2.9) USER MOD Single : A 14 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.9!) USER MOD Single : A 15 LYS NZ :NH3+ 166:sc= -1.09 (180deg=-1.59) USER MOD Single : A 18 ASN : amide:sc= -0.245 X(o=-0.25,f=-0.058) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.388 USER MOD Single : A 25 SER OG : rot 32:sc= 0.0957 USER MOD Single : A 28 ASN : amide:sc= -0.315 K(o=-0.32,f=-3.1!) USER MOD Single : A 33 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.00063) USER MOD Single : A 34 SER OG : rot 180:sc= -0.18 USER MOD Single : A 36 LYS NZ :NH3+ 158:sc= -0.0607 (180deg=-0.343) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.97 K(o=-0.97,f=-2.3) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0239 USER MOD Single : A 56 ASN : amide:sc= -1.21 K(o=-1.2,f=-8.5!) USER MOD Single : A 58 THR OG1 : rot 92:sc= 1.28 USER MOD Single : A 65 HIS : no HE2:sc= -4.57 K(o=-4.6,f=-8.3!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -36:sc= 0.822 USER MOD Single : A 76 SER OG : rot 180:sc= -0.0204 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N VAL A 7 8.964 9.987 -6.169 1.00 0.00 N ATOM 83 CA VAL A 7 8.539 9.119 -7.261 1.00 0.00 C ATOM 84 C VAL A 7 7.366 8.242 -6.841 1.00 0.00 C ATOM 85 O VAL A 7 7.398 7.608 -5.786 1.00 0.00 O ATOM 86 CB VAL A 7 9.692 8.219 -7.744 1.00 0.00 C ATOM 87 CG1 VAL A 7 9.292 7.470 -9.006 1.00 0.00 C ATOM 88 CG2 VAL A 7 10.951 9.040 -7.979 1.00 0.00 C ATOM 0 HA VAL A 7 8.228 9.769 -8.079 1.00 0.00 H new ATOM 0 HB VAL A 7 9.905 7.486 -6.966 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.119 6.839 -9.332 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.421 6.848 -8.799 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.049 8.185 -9.792 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.754 8.386 -8.320 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.755 9.798 -8.737 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.248 9.525 -7.049 1.00 0.00 H new ATOM 98 N GLN A 8 6.329 8.210 -7.672 1.00 0.00 N ATOM 99 CA GLN A 8 5.144 7.410 -7.387 1.00 0.00 C ATOM 100 C GLN A 8 5.114 6.154 -8.252 1.00 0.00 C ATOM 101 O GLN A 8 5.430 6.200 -9.441 1.00 0.00 O ATOM 102 CB GLN A 8 3.877 8.236 -7.618 1.00 0.00 C ATOM 103 CG GLN A 8 2.827 8.055 -6.534 1.00 0.00 C ATOM 104 CD GLN A 8 1.750 9.121 -6.582 1.00 0.00 C ATOM 105 OE1 GLN A 8 0.607 8.849 -6.951 1.00 0.00 O ATOM 106 NE2 GLN A 8 2.110 10.343 -6.209 1.00 0.00 N ATOM 0 H GLN A 8 6.286 8.729 -8.549 1.00 0.00 H new ATOM 0 HA GLN A 8 5.184 7.106 -6.341 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.147 9.290 -7.679 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.445 7.962 -8.580 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.366 7.073 -6.640 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.311 8.076 -5.557 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.068 10.523 -5.910 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.428 11.102 -6.221 1.00 0.00 H new ATOM 115 N ARG A 9 4.730 5.035 -7.648 1.00 0.00 N ATOM 116 CA ARG A 9 4.659 3.766 -8.365 1.00 0.00 C ATOM 117 C ARG A 9 3.339 3.055 -8.084 1.00 0.00 C ATOM 118 O ARG A 9 2.720 3.264 -7.039 1.00 0.00 O ATOM 119 CB ARG A 9 5.831 2.867 -7.970 1.00 0.00 C ATOM 120 CG ARG A 9 6.228 1.876 -9.053 1.00 0.00 C ATOM 121 CD ARG A 9 6.430 0.479 -8.485 1.00 0.00 C ATOM 122 NE ARG A 9 7.185 -0.377 -9.398 1.00 0.00 N ATOM 123 CZ ARG A 9 7.695 -1.559 -9.054 1.00 0.00 C ATOM 124 NH1 ARG A 9 7.535 -2.025 -7.821 1.00 0.00 N ATOM 125 NH2 ARG A 9 8.367 -2.275 -9.945 1.00 0.00 N ATOM 0 H ARG A 9 4.463 4.980 -6.665 1.00 0.00 H new ATOM 0 HA ARG A 9 4.716 3.977 -9.433 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.691 3.491 -7.727 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.569 2.319 -7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.457 1.849 -9.823 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.147 2.210 -9.534 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.956 0.547 -7.533 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.460 0.026 -8.282 1.00 0.00 H new ATOM 0 HE ARG A 9 7.330 -0.051 -10.354 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.020 -1.478 -7.132 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.927 -2.930 -7.563 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.493 -1.921 -10.893 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.758 -3.180 -9.682 1.00 0.00 H new ATOM 139 N CYS A 10 2.914 2.215 -9.022 1.00 0.00 N ATOM 140 CA CYS A 10 1.666 1.474 -8.875 1.00 0.00 C ATOM 141 C CYS A 10 1.939 0.028 -8.473 1.00 0.00 C ATOM 142 O CYS A 10 2.871 -0.601 -8.972 1.00 0.00 O ATOM 143 CB CYS A 10 0.870 1.514 -10.181 1.00 0.00 C ATOM 144 SG CYS A 10 -0.833 2.096 -9.988 1.00 0.00 S ATOM 0 H CYS A 10 3.415 2.030 -9.891 1.00 0.00 H new ATOM 0 HA CYS A 10 1.079 1.946 -8.087 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.386 2.162 -10.889 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.854 0.515 -10.616 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.425 2.097 -11.145 1.00 0.00 H new ATOM 150 N VAL A 11 1.116 -0.494 -7.567 1.00 0.00 N ATOM 151 CA VAL A 11 1.268 -1.865 -7.099 1.00 0.00 C ATOM 152 C VAL A 11 -0.073 -2.589 -7.075 1.00 0.00 C ATOM 153 O VAL A 11 -1.108 -1.992 -6.776 1.00 0.00 O ATOM 154 CB VAL A 11 1.888 -1.913 -5.689 1.00 0.00 C ATOM 155 CG1 VAL A 11 3.368 -1.573 -5.745 1.00 0.00 C ATOM 156 CG2 VAL A 11 1.151 -0.971 -4.750 1.00 0.00 C ATOM 0 H VAL A 11 0.338 0.013 -7.144 1.00 0.00 H new ATOM 0 HA VAL A 11 1.937 -2.365 -7.800 1.00 0.00 H new ATOM 0 HB VAL A 11 1.787 -2.927 -5.301 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.789 -1.612 -4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.883 -2.292 -6.382 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.496 -0.570 -6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.603 -1.018 -3.759 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.218 0.048 -5.131 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.104 -1.267 -4.686 1.00 0.00 H new ATOM 166 N ILE A 12 -0.049 -3.879 -7.393 1.00 0.00 N ATOM 167 CA ILE A 12 -1.263 -4.685 -7.408 1.00 0.00 C ATOM 168 C ILE A 12 -1.229 -5.751 -6.318 1.00 0.00 C ATOM 169 O ILE A 12 -0.496 -6.733 -6.419 1.00 0.00 O ATOM 170 CB ILE A 12 -1.464 -5.372 -8.773 1.00 0.00 C ATOM 171 CG1 ILE A 12 -1.295 -4.361 -9.908 1.00 0.00 C ATOM 172 CG2 ILE A 12 -2.836 -6.028 -8.840 1.00 0.00 C ATOM 173 CD1 ILE A 12 -2.342 -3.268 -9.904 1.00 0.00 C ATOM 0 H ILE A 12 0.798 -4.388 -7.644 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.095 -4.006 -7.224 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.706 -6.147 -8.887 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.307 -3.907 -9.835 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.334 -4.887 -10.862 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.962 -6.509 -9.810 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.921 -6.775 -8.051 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.608 -5.270 -8.707 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.161 -2.587 -10.736 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.332 -3.712 -10.008 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.288 -2.716 -8.965 1.00 0.00 H new ATOM 185 N ILE A 13 -2.028 -5.548 -5.275 1.00 0.00 N ATOM 186 CA ILE A 13 -2.090 -6.492 -4.166 1.00 0.00 C ATOM 187 C ILE A 13 -3.381 -7.301 -4.205 1.00 0.00 C ATOM 188 O ILE A 13 -4.476 -6.740 -4.250 1.00 0.00 O ATOM 189 CB ILE A 13 -1.991 -5.770 -2.808 1.00 0.00 C ATOM 190 CG1 ILE A 13 -2.951 -4.581 -2.764 1.00 0.00 C ATOM 191 CG2 ILE A 13 -0.562 -5.314 -2.553 1.00 0.00 C ATOM 192 CD1 ILE A 13 -3.030 -3.917 -1.407 1.00 0.00 C ATOM 0 H ILE A 13 -2.641 -4.739 -5.175 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.239 -7.165 -4.275 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.275 -6.469 -2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.637 -3.843 -3.502 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.947 -4.918 -3.053 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.509 -4.806 -1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.100 -6.180 -2.544 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.252 -4.629 -3.342 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.730 -3.082 -1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.374 -4.640 -0.667 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.044 -3.549 -1.124 1.00 0.00 H new ATOM 204 N GLN A 14 -3.245 -8.623 -4.184 1.00 0.00 N ATOM 205 CA GLN A 14 -4.402 -9.511 -4.217 1.00 0.00 C ATOM 206 C GLN A 14 -4.699 -10.068 -2.828 1.00 0.00 C ATOM 207 O GLN A 14 -3.788 -10.421 -2.081 1.00 0.00 O ATOM 208 CB GLN A 14 -4.163 -10.659 -5.198 1.00 0.00 C ATOM 209 CG GLN A 14 -4.066 -10.211 -6.648 1.00 0.00 C ATOM 210 CD GLN A 14 -2.653 -9.831 -7.047 1.00 0.00 C ATOM 211 OE1 GLN A 14 -2.279 -8.657 -7.006 1.00 0.00 O ATOM 212 NE2 GLN A 14 -1.861 -10.823 -7.437 1.00 0.00 N ATOM 0 H GLN A 14 -2.346 -9.103 -4.144 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.264 -8.932 -4.550 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.243 -11.175 -4.924 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.974 -11.381 -5.103 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.420 -11.012 -7.297 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.726 -9.358 -6.806 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.213 -11.780 -7.455 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.900 -10.628 -7.718 1.00 0.00 H new ATOM 221 N LYS A 15 -5.983 -10.141 -2.489 1.00 0.00 N ATOM 222 CA LYS A 15 -6.401 -10.655 -1.191 1.00 0.00 C ATOM 223 C LYS A 15 -6.275 -12.175 -1.141 1.00 0.00 C ATOM 224 O LYS A 15 -6.772 -12.878 -2.019 1.00 0.00 O ATOM 225 CB LYS A 15 -7.845 -10.241 -0.896 1.00 0.00 C ATOM 226 CG LYS A 15 -8.208 -10.308 0.578 1.00 0.00 C ATOM 227 CD LYS A 15 -8.941 -11.598 0.912 1.00 0.00 C ATOM 228 CE LYS A 15 -10.436 -11.467 0.669 1.00 0.00 C ATOM 229 NZ LYS A 15 -10.754 -11.336 -0.779 1.00 0.00 N ATOM 0 H LYS A 15 -6.750 -9.851 -3.095 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.746 -10.229 -0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.003 -9.224 -1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.521 -10.886 -1.458 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.303 -10.236 1.181 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.834 -9.454 0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.543 -12.412 0.306 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.762 -11.860 1.955 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.948 -12.339 1.075 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.816 -10.597 1.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.773 -11.487 -0.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.494 -10.384 -1.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.218 -12.046 -1.318 1.00 0.00 H new ATOM 243 N ASP A 16 -5.605 -12.673 -0.105 1.00 0.00 N ATOM 244 CA ASP A 16 -5.413 -14.109 0.060 1.00 0.00 C ATOM 245 C ASP A 16 -6.341 -14.662 1.137 1.00 0.00 C ATOM 246 O ASP A 16 -7.245 -13.971 1.604 1.00 0.00 O ATOM 247 CB ASP A 16 -3.956 -14.412 0.419 1.00 0.00 C ATOM 248 CG ASP A 16 -2.975 -13.697 -0.490 1.00 0.00 C ATOM 249 OD1 ASP A 16 -3.247 -13.612 -1.705 1.00 0.00 O ATOM 250 OD2 ASP A 16 -1.936 -13.224 0.016 1.00 0.00 O ATOM 0 H ASP A 16 -5.187 -12.104 0.631 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.655 -14.594 -0.886 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.771 -14.118 1.452 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.786 -15.487 0.358 1.00 0.00 H new ATOM 255 N ASP A 17 -6.108 -15.911 1.525 1.00 0.00 N ATOM 256 CA ASP A 17 -6.922 -16.557 2.550 1.00 0.00 C ATOM 257 C ASP A 17 -6.872 -15.777 3.859 1.00 0.00 C ATOM 258 O ASP A 17 -7.867 -15.688 4.579 1.00 0.00 O ATOM 259 CB ASP A 17 -6.445 -17.992 2.779 1.00 0.00 C ATOM 260 CG ASP A 17 -4.948 -18.076 2.998 1.00 0.00 C ATOM 261 OD1 ASP A 17 -4.194 -17.572 2.141 1.00 0.00 O ATOM 262 OD2 ASP A 17 -4.529 -18.647 4.026 1.00 0.00 O ATOM 0 H ASP A 17 -5.363 -16.496 1.146 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.954 -16.575 2.200 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.960 -18.409 3.644 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.719 -18.604 1.920 1.00 0.00 H new ATOM 267 N ASN A 18 -5.708 -15.213 4.162 1.00 0.00 N ATOM 268 CA ASN A 18 -5.527 -14.440 5.384 1.00 0.00 C ATOM 269 C ASN A 18 -6.268 -13.109 5.301 1.00 0.00 C ATOM 270 O ASN A 18 -6.929 -12.694 6.254 1.00 0.00 O ATOM 271 CB ASN A 18 -4.038 -14.196 5.645 1.00 0.00 C ATOM 272 CG ASN A 18 -3.643 -14.511 7.074 1.00 0.00 C ATOM 273 OD1 ASN A 18 -3.033 -13.689 7.757 1.00 0.00 O ATOM 274 ND2 ASN A 18 -3.990 -15.707 7.535 1.00 0.00 N ATOM 0 H ASN A 18 -4.875 -15.277 3.577 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.942 -15.014 6.212 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.447 -14.809 4.964 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.799 -13.155 5.426 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.751 -15.974 8.490 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.495 -16.358 6.934 1.00 0.00 H new ATOM 281 N GLY A 19 -6.154 -12.446 4.156 1.00 0.00 N ATOM 282 CA GLY A 19 -6.819 -11.169 3.970 1.00 0.00 C ATOM 283 C GLY A 19 -5.893 -9.992 4.202 1.00 0.00 C ATOM 284 O GLY A 19 -5.960 -9.336 5.242 1.00 0.00 O ATOM 0 H GLY A 19 -5.614 -12.769 3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.221 -11.117 2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.666 -11.101 4.653 1.00 0.00 H new ATOM 288 N PHE A 20 -5.024 -9.724 3.233 1.00 0.00 N ATOM 289 CA PHE A 20 -4.078 -8.619 3.334 1.00 0.00 C ATOM 290 C PHE A 20 -3.141 -8.811 4.524 1.00 0.00 C ATOM 291 O PHE A 20 -3.575 -8.808 5.675 1.00 0.00 O ATOM 292 CB PHE A 20 -4.824 -7.290 3.467 1.00 0.00 C ATOM 293 CG PHE A 20 -5.287 -6.728 2.153 1.00 0.00 C ATOM 294 CD1 PHE A 20 -6.150 -7.448 1.342 1.00 0.00 C ATOM 295 CD2 PHE A 20 -4.859 -5.480 1.729 1.00 0.00 C ATOM 296 CE1 PHE A 20 -6.578 -6.932 0.133 1.00 0.00 C ATOM 297 CE2 PHE A 20 -5.283 -4.960 0.521 1.00 0.00 C ATOM 298 CZ PHE A 20 -6.144 -5.688 -0.279 1.00 0.00 C ATOM 0 H PHE A 20 -4.955 -10.258 2.367 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.480 -8.602 2.423 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.687 -7.431 4.117 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.173 -6.564 3.954 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.492 -8.423 1.658 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.186 -4.907 2.350 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.252 -7.502 -0.489 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.942 -3.986 0.202 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.476 -5.284 -1.224 1.00 0.00 H new ATOM 308 N GLY A 21 -1.855 -8.977 4.237 1.00 0.00 N ATOM 309 CA GLY A 21 -0.877 -9.168 5.293 1.00 0.00 C ATOM 310 C GLY A 21 -0.307 -7.859 5.801 1.00 0.00 C ATOM 311 O GLY A 21 -0.189 -7.653 7.009 1.00 0.00 O ATOM 0 H GLY A 21 -1.472 -8.983 3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.341 -9.704 6.121 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.065 -9.795 4.923 1.00 0.00 H new ATOM 315 N LEU A 22 0.045 -6.970 4.877 1.00 0.00 N ATOM 316 CA LEU A 22 0.605 -5.672 5.236 1.00 0.00 C ATOM 317 C LEU A 22 -0.334 -4.908 6.165 1.00 0.00 C ATOM 318 O LEU A 22 -1.555 -4.969 6.017 1.00 0.00 O ATOM 319 CB LEU A 22 0.876 -4.844 3.979 1.00 0.00 C ATOM 320 CG LEU A 22 -0.345 -4.601 3.088 1.00 0.00 C ATOM 321 CD1 LEU A 22 -0.449 -3.131 2.708 1.00 0.00 C ATOM 322 CD2 LEU A 22 -0.278 -5.470 1.841 1.00 0.00 C ATOM 0 H LEU A 22 -0.048 -7.125 3.873 1.00 0.00 H new ATOM 0 HA LEU A 22 1.544 -5.846 5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.286 -3.879 4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.643 -5.347 3.390 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.238 -4.874 3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.323 -2.980 2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.546 -2.528 3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.448 -2.831 2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.154 -5.283 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.624 -5.229 1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.255 -6.521 2.130 1.00 0.00 H new ATOM 334 N THR A 23 0.243 -4.189 7.122 1.00 0.00 N ATOM 335 CA THR A 23 -0.542 -3.413 8.074 1.00 0.00 C ATOM 336 C THR A 23 -0.549 -1.935 7.694 1.00 0.00 C ATOM 337 O THR A 23 0.505 -1.307 7.586 1.00 0.00 O ATOM 338 CB THR A 23 0.013 -3.585 9.488 1.00 0.00 C ATOM 339 OG1 THR A 23 0.406 -4.928 9.712 1.00 0.00 O ATOM 340 CG2 THR A 23 -0.976 -3.209 10.569 1.00 0.00 C ATOM 0 H THR A 23 1.252 -4.128 7.259 1.00 0.00 H new ATOM 0 HA THR A 23 -1.567 -3.783 8.048 1.00 0.00 H new ATOM 0 HB THR A 23 0.866 -2.909 9.548 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.760 -5.018 10.621 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.518 -3.354 11.547 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.261 -2.163 10.454 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.862 -3.838 10.486 1.00 0.00 H new ATOM 348 N VAL A 24 -1.743 -1.387 7.493 1.00 0.00 N ATOM 349 CA VAL A 24 -1.886 0.016 7.124 1.00 0.00 C ATOM 350 C VAL A 24 -2.685 0.781 8.174 1.00 0.00 C ATOM 351 O VAL A 24 -3.700 0.294 8.673 1.00 0.00 O ATOM 352 CB VAL A 24 -2.576 0.169 5.753 1.00 0.00 C ATOM 353 CG1 VAL A 24 -3.975 -0.433 5.784 1.00 0.00 C ATOM 354 CG2 VAL A 24 -2.624 1.632 5.336 1.00 0.00 C ATOM 0 H VAL A 24 -2.625 -1.893 7.579 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.881 0.432 7.063 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.990 -0.375 5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.444 -0.314 4.807 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.910 -1.493 6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.574 0.077 6.538 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.114 1.718 4.366 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.183 2.203 6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.609 2.024 5.265 1.00 0.00 H new ATOM 364 N SER A 25 -2.221 1.982 8.503 1.00 0.00 N ATOM 365 CA SER A 25 -2.895 2.815 9.493 1.00 0.00 C ATOM 366 C SER A 25 -2.694 4.295 9.183 1.00 0.00 C ATOM 367 O SER A 25 -1.576 4.739 8.925 1.00 0.00 O ATOM 368 CB SER A 25 -2.373 2.500 10.896 1.00 0.00 C ATOM 369 OG SER A 25 -0.985 2.765 10.995 1.00 0.00 O ATOM 0 H SER A 25 -1.383 2.400 8.100 1.00 0.00 H new ATOM 0 HA SER A 25 -3.962 2.594 9.453 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.914 3.096 11.631 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.564 1.453 11.132 1.00 0.00 H new ATOM 0 HG SER A 25 -0.753 3.518 10.412 1.00 0.00 H new ATOM 375 N GLY A 26 -3.786 5.054 9.209 1.00 0.00 N ATOM 376 CA GLY A 26 -3.703 6.475 8.930 1.00 0.00 C ATOM 377 C GLY A 26 -5.019 7.190 9.168 1.00 0.00 C ATOM 378 O GLY A 26 -6.032 6.862 8.552 1.00 0.00 O ATOM 0 H GLY A 26 -4.724 4.711 9.418 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.932 6.921 9.558 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.395 6.622 7.895 1.00 0.00 H new ATOM 382 N ASP A 27 -5.003 8.172 10.065 1.00 0.00 N ATOM 383 CA ASP A 27 -6.204 8.935 10.383 1.00 0.00 C ATOM 384 C ASP A 27 -6.747 9.633 9.139 1.00 0.00 C ATOM 385 O ASP A 27 -7.767 9.228 8.584 1.00 0.00 O ATOM 386 CB ASP A 27 -5.906 9.962 11.477 1.00 0.00 C ATOM 387 CG ASP A 27 -7.136 10.751 11.882 1.00 0.00 C ATOM 388 OD1 ASP A 27 -7.395 11.806 11.266 1.00 0.00 O ATOM 389 OD2 ASP A 27 -7.841 10.314 12.817 1.00 0.00 O ATOM 0 H ASP A 27 -4.172 8.457 10.583 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.963 8.242 10.747 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.502 9.451 12.351 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.136 10.649 11.126 1.00 0.00 H new ATOM 394 N ASN A 28 -6.057 10.686 8.708 1.00 0.00 N ATOM 395 CA ASN A 28 -6.472 11.439 7.531 1.00 0.00 C ATOM 396 C ASN A 28 -5.945 10.788 6.253 1.00 0.00 C ATOM 397 O ASN A 28 -6.710 10.508 5.330 1.00 0.00 O ATOM 398 CB ASN A 28 -5.979 12.885 7.625 1.00 0.00 C ATOM 399 CG ASN A 28 -7.074 13.891 7.328 1.00 0.00 C ATOM 400 OD1 ASN A 28 -8.232 13.525 7.128 1.00 0.00 O ATOM 401 ND2 ASN A 28 -6.712 15.169 7.300 1.00 0.00 N ATOM 0 H ASN A 28 -5.210 11.035 9.156 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.561 11.437 7.494 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.584 13.067 8.625 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.156 13.031 6.926 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.406 15.891 7.107 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.740 15.428 7.472 1.00 0.00 H new ATOM 408 N PRO A 29 -4.626 10.537 6.182 1.00 0.00 N ATOM 409 CA PRO A 29 -4.001 9.921 5.014 1.00 0.00 C ATOM 410 C PRO A 29 -4.090 8.398 5.043 1.00 0.00 C ATOM 411 O PRO A 29 -4.828 7.824 5.843 1.00 0.00 O ATOM 412 CB PRO A 29 -2.550 10.376 5.133 1.00 0.00 C ATOM 413 CG PRO A 29 -2.311 10.483 6.602 1.00 0.00 C ATOM 414 CD PRO A 29 -3.635 10.840 7.234 1.00 0.00 C ATOM 0 HA PRO A 29 -4.485 10.210 4.081 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.870 9.660 4.671 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.392 11.332 4.634 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.933 9.542 7.002 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.562 11.245 6.817 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.818 10.255 8.135 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.669 11.890 7.524 1.00 0.00 H new ATOM 422 N VAL A 30 -3.331 7.749 4.163 1.00 0.00 N ATOM 423 CA VAL A 30 -3.325 6.293 4.089 1.00 0.00 C ATOM 424 C VAL A 30 -1.940 5.770 3.725 1.00 0.00 C ATOM 425 O VAL A 30 -1.586 5.689 2.548 1.00 0.00 O ATOM 426 CB VAL A 30 -4.344 5.778 3.054 1.00 0.00 C ATOM 427 CG1 VAL A 30 -4.482 4.266 3.147 1.00 0.00 C ATOM 428 CG2 VAL A 30 -5.690 6.458 3.246 1.00 0.00 C ATOM 0 H VAL A 30 -2.714 8.209 3.493 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.604 5.924 5.076 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.979 6.025 2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.206 3.921 2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.516 3.800 2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.824 3.993 4.145 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.397 6.082 2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.065 6.246 4.247 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.575 7.535 3.122 1.00 0.00 H new ATOM 438 N PHE A 31 -1.159 5.416 4.741 1.00 0.00 N ATOM 439 CA PHE A 31 0.188 4.902 4.526 1.00 0.00 C ATOM 440 C PHE A 31 0.387 3.573 5.246 1.00 0.00 C ATOM 441 O PHE A 31 -0.090 3.384 6.364 1.00 0.00 O ATOM 442 CB PHE A 31 1.226 5.917 5.012 1.00 0.00 C ATOM 443 CG PHE A 31 1.018 6.352 6.434 1.00 0.00 C ATOM 444 CD1 PHE A 31 0.005 7.239 6.759 1.00 0.00 C ATOM 445 CD2 PHE A 31 1.836 5.873 7.445 1.00 0.00 C ATOM 446 CE1 PHE A 31 -0.189 7.640 8.068 1.00 0.00 C ATOM 447 CE2 PHE A 31 1.646 6.271 8.755 1.00 0.00 C ATOM 448 CZ PHE A 31 0.632 7.155 9.066 1.00 0.00 C ATOM 0 H PHE A 31 -1.436 5.476 5.721 1.00 0.00 H new ATOM 0 HA PHE A 31 0.320 4.738 3.457 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.221 5.482 4.915 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.197 6.793 4.364 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.640 7.621 5.982 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.630 5.181 7.207 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.982 8.332 8.309 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.290 5.891 9.534 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.481 7.467 10.089 1.00 0.00 H new ATOM 458 N VAL A 32 1.098 2.655 4.598 1.00 0.00 N ATOM 459 CA VAL A 32 1.362 1.342 5.177 1.00 0.00 C ATOM 460 C VAL A 32 2.637 1.358 6.011 1.00 0.00 C ATOM 461 O VAL A 32 3.688 1.801 5.547 1.00 0.00 O ATOM 462 CB VAL A 32 1.487 0.261 4.087 1.00 0.00 C ATOM 463 CG1 VAL A 32 1.592 -1.122 4.715 1.00 0.00 C ATOM 464 CG2 VAL A 32 0.309 0.328 3.126 1.00 0.00 C ATOM 0 H VAL A 32 1.502 2.796 3.672 1.00 0.00 H new ATOM 0 HA VAL A 32 0.514 1.102 5.818 1.00 0.00 H new ATOM 0 HB VAL A 32 2.399 0.449 3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.680 -1.873 3.929 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.472 -1.164 5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.700 -1.321 5.309 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.417 -0.444 2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.619 0.168 3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.284 1.308 2.649 1.00 0.00 H new ATOM 474 N GLN A 33 2.538 0.875 7.245 1.00 0.00 N ATOM 475 CA GLN A 33 3.686 0.834 8.144 1.00 0.00 C ATOM 476 C GLN A 33 4.320 -0.555 8.158 1.00 0.00 C ATOM 477 O GLN A 33 5.526 -0.694 8.362 1.00 0.00 O ATOM 478 CB GLN A 33 3.264 1.228 9.561 1.00 0.00 C ATOM 479 CG GLN A 33 4.302 2.058 10.296 1.00 0.00 C ATOM 480 CD GLN A 33 4.019 2.165 11.782 1.00 0.00 C ATOM 481 OE1 GLN A 33 3.903 3.262 12.326 1.00 0.00 O ATOM 482 NE2 GLN A 33 3.905 1.019 12.446 1.00 0.00 N ATOM 0 H GLN A 33 1.675 0.507 7.645 1.00 0.00 H new ATOM 0 HA GLN A 33 4.426 1.547 7.780 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.331 1.790 9.510 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.061 0.324 10.135 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.287 1.615 10.149 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.335 3.058 9.863 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.009 0.132 11.954 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.714 1.027 13.448 1.00 0.00 H new ATOM 491 N SER A 34 3.500 -1.578 7.942 1.00 0.00 N ATOM 492 CA SER A 34 3.983 -2.954 7.931 1.00 0.00 C ATOM 493 C SER A 34 3.647 -3.640 6.609 1.00 0.00 C ATOM 494 O SER A 34 2.612 -3.367 6.003 1.00 0.00 O ATOM 495 CB SER A 34 3.374 -3.739 9.095 1.00 0.00 C ATOM 496 OG SER A 34 3.190 -2.911 10.229 1.00 0.00 O ATOM 0 H SER A 34 2.499 -1.481 7.772 1.00 0.00 H new ATOM 0 HA SER A 34 5.067 -2.933 8.043 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.417 -4.162 8.791 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.024 -4.575 9.353 1.00 0.00 H new ATOM 0 HG SER A 34 2.798 -3.436 10.958 1.00 0.00 H new ATOM 502 N VAL A 35 4.531 -4.530 6.170 1.00 0.00 N ATOM 503 CA VAL A 35 4.331 -5.255 4.921 1.00 0.00 C ATOM 504 C VAL A 35 4.634 -6.741 5.095 1.00 0.00 C ATOM 505 O VAL A 35 5.687 -7.114 5.611 1.00 0.00 O ATOM 506 CB VAL A 35 5.216 -4.691 3.795 1.00 0.00 C ATOM 507 CG1 VAL A 35 4.909 -5.380 2.472 1.00 0.00 C ATOM 508 CG2 VAL A 35 5.031 -3.186 3.674 1.00 0.00 C ATOM 0 H VAL A 35 5.393 -4.766 6.661 1.00 0.00 H new ATOM 0 HA VAL A 35 3.284 -5.129 4.646 1.00 0.00 H new ATOM 0 HB VAL A 35 6.258 -4.889 4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.546 -4.966 1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.098 -6.449 2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.863 -5.218 2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.664 -2.805 2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.988 -2.965 3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.308 -2.709 4.614 1.00 0.00 H new ATOM 518 N LYS A 36 3.704 -7.583 4.657 1.00 0.00 N ATOM 519 CA LYS A 36 3.872 -9.027 4.761 1.00 0.00 C ATOM 520 C LYS A 36 5.006 -9.507 3.860 1.00 0.00 C ATOM 521 O LYS A 36 4.891 -9.483 2.634 1.00 0.00 O ATOM 522 CB LYS A 36 2.572 -9.740 4.387 1.00 0.00 C ATOM 523 CG LYS A 36 2.315 -11.001 5.197 1.00 0.00 C ATOM 524 CD LYS A 36 2.027 -10.679 6.654 1.00 0.00 C ATOM 525 CE LYS A 36 2.462 -11.809 7.572 1.00 0.00 C ATOM 526 NZ LYS A 36 3.943 -11.955 7.613 1.00 0.00 N ATOM 0 H LYS A 36 2.827 -7.290 4.227 1.00 0.00 H new ATOM 0 HA LYS A 36 4.125 -9.266 5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.737 -9.053 4.526 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.600 -9.998 3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.472 -11.543 4.770 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.182 -11.658 5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.545 -9.762 6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.960 -10.495 6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.088 -11.623 8.579 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.015 -12.744 7.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.219 -12.447 8.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.260 -12.506 6.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.385 -11.014 7.591 1.00 0.00 H new ATOM 540 N GLU A 37 6.102 -9.941 4.475 1.00 0.00 N ATOM 541 CA GLU A 37 7.256 -10.425 3.727 1.00 0.00 C ATOM 542 C GLU A 37 7.179 -11.932 3.508 1.00 0.00 C ATOM 543 O GLU A 37 8.166 -12.648 3.671 1.00 0.00 O ATOM 544 CB GLU A 37 8.550 -10.070 4.459 1.00 0.00 C ATOM 545 CG GLU A 37 8.640 -10.659 5.858 1.00 0.00 C ATOM 546 CD GLU A 37 8.349 -9.636 6.939 1.00 0.00 C ATOM 547 OE1 GLU A 37 7.168 -9.268 7.106 1.00 0.00 O ATOM 548 OE2 GLU A 37 9.303 -9.205 7.620 1.00 0.00 O ATOM 0 H GLU A 37 6.215 -9.967 5.488 1.00 0.00 H new ATOM 0 HA GLU A 37 7.251 -9.938 2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.398 -10.421 3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.635 -8.985 4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.936 -11.486 5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.637 -11.071 6.012 1.00 0.00 H new ATOM 555 N ASP A 38 5.996 -12.403 3.137 1.00 0.00 N ATOM 556 CA ASP A 38 5.776 -13.822 2.889 1.00 0.00 C ATOM 557 C ASP A 38 4.333 -14.075 2.465 1.00 0.00 C ATOM 558 O ASP A 38 3.744 -15.100 2.811 1.00 0.00 O ATOM 559 CB ASP A 38 6.108 -14.640 4.140 1.00 0.00 C ATOM 560 CG ASP A 38 7.103 -15.749 3.859 1.00 0.00 C ATOM 561 OD1 ASP A 38 8.312 -15.450 3.759 1.00 0.00 O ATOM 562 OD2 ASP A 38 6.674 -16.916 3.738 1.00 0.00 O ATOM 0 H ASP A 38 5.170 -11.820 3.001 1.00 0.00 H new ATOM 0 HA ASP A 38 6.436 -14.134 2.080 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.512 -13.979 4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.191 -15.071 4.542 1.00 0.00 H new ATOM 567 N GLY A 39 3.768 -13.134 1.716 1.00 0.00 N ATOM 568 CA GLY A 39 2.398 -13.275 1.260 1.00 0.00 C ATOM 569 C GLY A 39 2.058 -12.337 0.119 1.00 0.00 C ATOM 570 O GLY A 39 2.905 -12.044 -0.727 1.00 0.00 O ATOM 0 H GLY A 39 4.234 -12.277 1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.231 -14.304 0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.721 -13.086 2.093 1.00 0.00 H new ATOM 574 N ALA A 40 0.815 -11.869 0.093 1.00 0.00 N ATOM 575 CA ALA A 40 0.358 -10.962 -0.954 1.00 0.00 C ATOM 576 C ALA A 40 1.159 -9.665 -0.955 1.00 0.00 C ATOM 577 O ALA A 40 1.476 -9.122 -2.014 1.00 0.00 O ATOM 578 CB ALA A 40 -1.125 -10.668 -0.783 1.00 0.00 C ATOM 0 H ALA A 40 0.104 -12.103 0.786 1.00 0.00 H new ATOM 0 HA ALA A 40 0.516 -11.451 -1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.455 -9.990 -1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.690 -11.598 -0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.294 -10.205 0.189 1.00 0.00 H new ATOM 584 N ALA A 41 1.482 -9.170 0.236 1.00 0.00 N ATOM 585 CA ALA A 41 2.244 -7.933 0.364 1.00 0.00 C ATOM 586 C ALA A 41 3.598 -8.048 -0.328 1.00 0.00 C ATOM 587 O ALA A 41 3.995 -7.164 -1.087 1.00 0.00 O ATOM 588 CB ALA A 41 2.427 -7.575 1.831 1.00 0.00 C ATOM 0 H ALA A 41 1.229 -9.605 1.123 1.00 0.00 H new ATOM 0 HA ALA A 41 1.682 -7.137 -0.125 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.997 -6.650 1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.451 -7.441 2.297 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.964 -8.377 2.337 1.00 0.00 H new ATOM 594 N MET A 42 4.301 -9.146 -0.065 1.00 0.00 N ATOM 595 CA MET A 42 5.608 -9.376 -0.666 1.00 0.00 C ATOM 596 C MET A 42 5.471 -9.717 -2.147 1.00 0.00 C ATOM 597 O MET A 42 6.227 -9.221 -2.982 1.00 0.00 O ATOM 598 CB MET A 42 6.333 -10.507 0.062 1.00 0.00 C ATOM 599 CG MET A 42 7.772 -10.691 -0.385 1.00 0.00 C ATOM 600 SD MET A 42 8.951 -9.877 0.709 1.00 0.00 S ATOM 601 CE MET A 42 10.503 -10.497 0.059 1.00 0.00 C ATOM 0 H MET A 42 3.987 -9.889 0.560 1.00 0.00 H new ATOM 0 HA MET A 42 6.191 -8.460 -0.573 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.316 -10.308 1.134 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.789 -11.438 -0.098 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.000 -11.756 -0.431 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.888 -10.297 -1.395 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.330 -10.081 0.634 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.520 -11.584 0.133 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.604 -10.202 -0.986 1.00 0.00 H new ATOM 611 N ARG A 43 4.500 -10.567 -2.465 1.00 0.00 N ATOM 612 CA ARG A 43 4.261 -10.976 -3.845 1.00 0.00 C ATOM 613 C ARG A 43 3.933 -9.772 -4.721 1.00 0.00 C ATOM 614 O ARG A 43 4.242 -9.758 -5.913 1.00 0.00 O ATOM 615 CB ARG A 43 3.118 -11.994 -3.903 1.00 0.00 C ATOM 616 CG ARG A 43 3.106 -12.821 -5.179 1.00 0.00 C ATOM 617 CD ARG A 43 3.692 -14.207 -4.953 1.00 0.00 C ATOM 618 NE ARG A 43 2.844 -15.257 -5.516 1.00 0.00 N ATOM 619 CZ ARG A 43 1.739 -15.711 -4.928 1.00 0.00 C ATOM 620 NH1 ARG A 43 1.344 -15.211 -3.763 1.00 0.00 N ATOM 621 NH2 ARG A 43 1.024 -16.666 -5.508 1.00 0.00 N ATOM 0 H ARG A 43 3.865 -10.986 -1.785 1.00 0.00 H new ATOM 0 HA ARG A 43 5.172 -11.439 -4.226 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.195 -12.664 -3.046 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.168 -11.467 -3.812 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.083 -12.913 -5.544 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.676 -12.306 -5.953 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.683 -14.260 -5.404 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.819 -14.377 -3.884 1.00 0.00 H new ATOM 0 HE ARG A 43 3.115 -15.665 -6.411 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.888 -14.475 -3.313 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.497 -15.563 -3.318 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.321 -17.052 -6.404 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.177 -17.014 -5.058 1.00 0.00 H new ATOM 635 N ALA A 44 3.309 -8.763 -4.124 1.00 0.00 N ATOM 636 CA ALA A 44 2.940 -7.554 -4.851 1.00 0.00 C ATOM 637 C ALA A 44 4.111 -6.576 -4.935 1.00 0.00 C ATOM 638 O ALA A 44 4.095 -5.646 -5.742 1.00 0.00 O ATOM 639 CB ALA A 44 1.741 -6.888 -4.192 1.00 0.00 C ATOM 0 H ALA A 44 3.048 -8.758 -3.138 1.00 0.00 H new ATOM 0 HA ALA A 44 2.672 -7.842 -5.867 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.476 -5.987 -4.745 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.896 -7.576 -4.194 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.991 -6.623 -3.165 1.00 0.00 H new ATOM 645 N GLY A 45 5.125 -6.789 -4.102 1.00 0.00 N ATOM 646 CA GLY A 45 6.284 -5.917 -4.106 1.00 0.00 C ATOM 647 C GLY A 45 6.020 -4.594 -3.412 1.00 0.00 C ATOM 648 O GLY A 45 6.187 -3.530 -4.006 1.00 0.00 O ATOM 0 H GLY A 45 5.164 -7.550 -3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.116 -6.422 -3.614 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.589 -5.729 -5.135 1.00 0.00 H new ATOM 652 N VAL A 46 5.608 -4.663 -2.149 1.00 0.00 N ATOM 653 CA VAL A 46 5.321 -3.463 -1.374 1.00 0.00 C ATOM 654 C VAL A 46 6.501 -3.092 -0.480 1.00 0.00 C ATOM 655 O VAL A 46 7.343 -3.933 -0.167 1.00 0.00 O ATOM 656 CB VAL A 46 4.066 -3.644 -0.501 1.00 0.00 C ATOM 657 CG1 VAL A 46 3.685 -2.331 0.168 1.00 0.00 C ATOM 658 CG2 VAL A 46 2.912 -4.183 -1.333 1.00 0.00 C ATOM 0 H VAL A 46 5.466 -5.537 -1.642 1.00 0.00 H new ATOM 0 HA VAL A 46 5.143 -2.660 -2.089 1.00 0.00 H new ATOM 0 HB VAL A 46 4.290 -4.370 0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.796 -2.479 0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.507 -1.992 0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.479 -1.580 -0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.033 -4.305 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.686 -3.483 -2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.189 -5.148 -1.758 1.00 0.00 H new ATOM 668 N GLN A 47 6.556 -1.826 -0.074 1.00 0.00 N ATOM 669 CA GLN A 47 7.633 -1.345 0.783 1.00 0.00 C ATOM 670 C GLN A 47 7.085 -0.831 2.110 1.00 0.00 C ATOM 671 O GLN A 47 5.967 -0.318 2.176 1.00 0.00 O ATOM 672 CB GLN A 47 8.417 -0.235 0.078 1.00 0.00 C ATOM 673 CG GLN A 47 8.961 -0.646 -1.280 1.00 0.00 C ATOM 674 CD GLN A 47 7.931 -0.508 -2.385 1.00 0.00 C ATOM 675 OE1 GLN A 47 7.431 -1.503 -2.910 1.00 0.00 O ATOM 676 NE2 GLN A 47 7.610 0.729 -2.745 1.00 0.00 N ATOM 0 H GLN A 47 5.868 -1.116 -0.325 1.00 0.00 H new ATOM 0 HA GLN A 47 8.302 -2.181 0.986 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.770 0.633 -0.046 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.246 0.074 0.714 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.830 -0.034 -1.520 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.302 -1.680 -1.233 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.049 1.525 -2.283 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.924 0.883 -3.484 1.00 0.00 H new ATOM 685 N THR A 48 7.879 -0.972 3.165 1.00 0.00 N ATOM 686 CA THR A 48 7.476 -0.523 4.492 1.00 0.00 C ATOM 687 C THR A 48 7.438 1.001 4.563 1.00 0.00 C ATOM 688 O THR A 48 8.400 1.673 4.190 1.00 0.00 O ATOM 689 CB THR A 48 8.433 -1.070 5.552 1.00 0.00 C ATOM 690 OG1 THR A 48 8.934 -2.337 5.167 1.00 0.00 O ATOM 691 CG2 THR A 48 7.795 -1.224 6.915 1.00 0.00 C ATOM 0 H THR A 48 8.807 -1.394 3.127 1.00 0.00 H new ATOM 0 HA THR A 48 6.473 -0.903 4.687 1.00 0.00 H new ATOM 0 HB THR A 48 9.233 -0.333 5.626 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.546 -2.670 5.856 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.530 -1.616 7.618 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.442 -0.253 7.263 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.954 -1.913 6.847 1.00 0.00 H new ATOM 699 N GLY A 49 6.322 1.539 5.044 1.00 0.00 N ATOM 700 CA GLY A 49 6.182 2.978 5.154 1.00 0.00 C ATOM 701 C GLY A 49 5.820 3.631 3.833 1.00 0.00 C ATOM 702 O GLY A 49 6.233 4.756 3.555 1.00 0.00 O ATOM 0 H GLY A 49 5.513 1.004 5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.414 3.209 5.892 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.116 3.403 5.522 1.00 0.00 H new ATOM 706 N ASP A 50 5.047 2.920 3.017 1.00 0.00 N ATOM 707 CA ASP A 50 4.631 3.436 1.718 1.00 0.00 C ATOM 708 C ASP A 50 3.343 4.244 1.842 1.00 0.00 C ATOM 709 O ASP A 50 2.390 3.817 2.494 1.00 0.00 O ATOM 710 CB ASP A 50 4.432 2.286 0.728 1.00 0.00 C ATOM 711 CG ASP A 50 4.982 2.606 -0.648 1.00 0.00 C ATOM 712 OD1 ASP A 50 5.928 3.417 -0.736 1.00 0.00 O ATOM 713 OD2 ASP A 50 4.465 2.047 -1.638 1.00 0.00 O ATOM 0 H ASP A 50 4.697 1.987 3.232 1.00 0.00 H new ATOM 0 HA ASP A 50 5.418 4.093 1.347 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.921 1.391 1.112 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.369 2.059 0.648 1.00 0.00 H new ATOM 718 N ARG A 51 3.322 5.413 1.211 1.00 0.00 N ATOM 719 CA ARG A 51 2.151 6.282 1.251 1.00 0.00 C ATOM 720 C ARG A 51 1.194 5.955 0.109 1.00 0.00 C ATOM 721 O ARG A 51 1.605 5.837 -1.044 1.00 0.00 O ATOM 722 CB ARG A 51 2.576 7.749 1.170 1.00 0.00 C ATOM 723 CG ARG A 51 3.362 8.223 2.382 1.00 0.00 C ATOM 724 CD ARG A 51 4.455 9.202 1.987 1.00 0.00 C ATOM 725 NE ARG A 51 3.958 10.573 1.891 1.00 0.00 N ATOM 726 CZ ARG A 51 3.748 11.361 2.942 1.00 0.00 C ATOM 727 NH1 ARG A 51 3.992 10.921 4.171 1.00 0.00 N ATOM 728 NH2 ARG A 51 3.294 12.595 2.766 1.00 0.00 N ATOM 0 H ARG A 51 4.102 5.781 0.666 1.00 0.00 H new ATOM 0 HA ARG A 51 1.635 6.112 2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.181 7.894 0.275 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.687 8.370 1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.686 8.698 3.093 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.805 7.365 2.888 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.261 9.160 2.720 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.880 8.903 1.029 1.00 0.00 H new ATOM 0 HE ARG A 51 3.760 10.948 0.963 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.343 9.974 4.313 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.829 11.530 4.973 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.106 12.940 1.825 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.133 13.199 3.572 1.00 0.00 H new ATOM 742 N ILE A 52 -0.087 5.810 0.440 1.00 0.00 N ATOM 743 CA ILE A 52 -1.102 5.498 -0.558 1.00 0.00 C ATOM 744 C ILE A 52 -1.815 6.761 -1.027 1.00 0.00 C ATOM 745 O ILE A 52 -2.364 7.512 -0.222 1.00 0.00 O ATOM 746 CB ILE A 52 -2.145 4.505 -0.008 1.00 0.00 C ATOM 747 CG1 ILE A 52 -1.449 3.308 0.643 1.00 0.00 C ATOM 748 CG2 ILE A 52 -3.075 4.044 -1.119 1.00 0.00 C ATOM 749 CD1 ILE A 52 -2.357 2.497 1.542 1.00 0.00 C ATOM 0 H ILE A 52 -0.444 5.904 1.391 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.587 5.040 -1.402 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.741 5.011 0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.051 2.660 -0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.599 3.664 1.225 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.806 3.343 -0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.593 4.905 -1.541 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.494 3.552 -1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.797 1.665 1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.735 3.131 2.345 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.194 2.111 0.960 1.00 0.00 H new ATOM 761 N ILE A 53 -1.803 6.989 -2.337 1.00 0.00 N ATOM 762 CA ILE A 53 -2.447 8.162 -2.914 1.00 0.00 C ATOM 763 C ILE A 53 -3.846 7.829 -3.421 1.00 0.00 C ATOM 764 O ILE A 53 -4.791 8.584 -3.203 1.00 0.00 O ATOM 765 CB ILE A 53 -1.618 8.748 -4.073 1.00 0.00 C ATOM 766 CG1 ILE A 53 -0.142 8.847 -3.680 1.00 0.00 C ATOM 767 CG2 ILE A 53 -2.157 10.113 -4.475 1.00 0.00 C ATOM 768 CD1 ILE A 53 0.096 9.663 -2.427 1.00 0.00 C ATOM 0 H ILE A 53 -1.354 6.376 -3.018 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.519 8.904 -2.119 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.701 8.079 -4.930 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.254 7.843 -3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.416 9.291 -4.504 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.560 10.513 -5.295 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.194 10.015 -4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.103 10.791 -3.623 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.163 9.691 -2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.270 10.679 -2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.434 9.208 -1.590 1.00 0.00 H new ATOM 780 N LYS A 54 -3.968 6.693 -4.102 1.00 0.00 N ATOM 781 CA LYS A 54 -5.253 6.261 -4.642 1.00 0.00 C ATOM 782 C LYS A 54 -5.456 4.764 -4.435 1.00 0.00 C ATOM 783 O LYS A 54 -4.495 3.995 -4.401 1.00 0.00 O ATOM 784 CB LYS A 54 -5.344 6.600 -6.130 1.00 0.00 C ATOM 785 CG LYS A 54 -6.665 6.196 -6.768 1.00 0.00 C ATOM 786 CD LYS A 54 -6.766 6.694 -8.200 1.00 0.00 C ATOM 787 CE LYS A 54 -6.195 5.684 -9.183 1.00 0.00 C ATOM 788 NZ LYS A 54 -4.757 5.402 -8.917 1.00 0.00 N ATOM 0 H LYS A 54 -3.194 6.056 -4.293 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.040 6.792 -4.107 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.201 7.673 -6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.529 6.104 -6.657 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.762 5.110 -6.751 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.491 6.599 -6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.810 6.892 -8.445 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.232 7.639 -8.296 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.764 4.756 -9.122 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.309 6.062 -10.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.315 5.013 -9.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.274 6.283 -8.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.676 4.713 -8.142 1.00 0.00 H new ATOM 802 N VAL A 55 -6.715 4.357 -4.299 1.00 0.00 N ATOM 803 CA VAL A 55 -7.046 2.953 -4.099 1.00 0.00 C ATOM 804 C VAL A 55 -8.233 2.539 -4.961 1.00 0.00 C ATOM 805 O VAL A 55 -9.376 2.900 -4.676 1.00 0.00 O ATOM 806 CB VAL A 55 -7.371 2.656 -2.622 1.00 0.00 C ATOM 807 CG1 VAL A 55 -6.098 2.628 -1.790 1.00 0.00 C ATOM 808 CG2 VAL A 55 -8.352 3.683 -2.075 1.00 0.00 C ATOM 0 H VAL A 55 -7.521 4.981 -4.324 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.168 2.378 -4.393 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.838 1.673 -2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.348 2.417 -0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.433 1.852 -2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.600 3.595 -1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.570 3.458 -1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.915 4.679 -2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.275 3.649 -2.654 1.00 0.00 H new ATOM 818 N ASN A 56 -7.956 1.782 -6.017 1.00 0.00 N ATOM 819 CA ASN A 56 -9.001 1.319 -6.924 1.00 0.00 C ATOM 820 C ASN A 56 -9.710 2.499 -7.581 1.00 0.00 C ATOM 821 O ASN A 56 -10.937 2.520 -7.690 1.00 0.00 O ATOM 822 CB ASN A 56 -10.012 0.452 -6.171 1.00 0.00 C ATOM 823 CG ASN A 56 -9.637 -1.017 -6.185 1.00 0.00 C ATOM 824 OD1 ASN A 56 -8.457 -1.368 -6.209 1.00 0.00 O ATOM 825 ND2 ASN A 56 -10.643 -1.884 -6.173 1.00 0.00 N ATOM 0 H ASN A 56 -7.016 1.475 -6.267 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.533 0.720 -7.705 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.084 0.796 -5.139 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.998 0.577 -6.618 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.453 -2.886 -6.184 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.606 -1.548 -6.153 1.00 0.00 H new ATOM 832 N GLY A 57 -8.930 3.483 -8.018 1.00 0.00 N ATOM 833 CA GLY A 57 -9.502 4.652 -8.659 1.00 0.00 C ATOM 834 C GLY A 57 -10.224 5.556 -7.679 1.00 0.00 C ATOM 835 O GLY A 57 -11.155 6.270 -8.054 1.00 0.00 O ATOM 0 H GLY A 57 -7.913 3.491 -7.940 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.710 5.216 -9.153 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.198 4.333 -9.435 1.00 0.00 H new ATOM 839 N THR A 58 -9.795 5.525 -6.422 1.00 0.00 N ATOM 840 CA THR A 58 -10.408 6.347 -5.386 1.00 0.00 C ATOM 841 C THR A 58 -9.353 7.145 -4.628 1.00 0.00 C ATOM 842 O THR A 58 -8.948 6.770 -3.528 1.00 0.00 O ATOM 843 CB THR A 58 -11.199 5.471 -4.411 1.00 0.00 C ATOM 844 OG1 THR A 58 -11.654 4.293 -5.052 1.00 0.00 O ATOM 845 CG2 THR A 58 -12.407 6.170 -3.824 1.00 0.00 C ATOM 0 H THR A 58 -9.026 4.940 -6.096 1.00 0.00 H new ATOM 0 HA THR A 58 -11.089 7.047 -5.870 1.00 0.00 H new ATOM 0 HB THR A 58 -10.505 5.238 -3.603 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.992 3.580 -4.935 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.923 5.494 -3.142 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.085 7.058 -3.280 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.084 6.462 -4.627 1.00 0.00 H new ATOM 945 N HIS A 65 -10.552 4.610 9.547 1.00 0.00 N ATOM 946 CA HIS A 65 -9.652 3.632 8.946 1.00 0.00 C ATOM 947 C HIS A 65 -10.414 2.376 8.531 1.00 0.00 C ATOM 948 O HIS A 65 -10.111 1.764 7.505 1.00 0.00 O ATOM 949 CB HIS A 65 -8.534 3.265 9.922 1.00 0.00 C ATOM 950 CG HIS A 65 -7.558 2.275 9.369 1.00 0.00 C ATOM 951 ND1 HIS A 65 -7.259 1.081 9.992 1.00 0.00 N ATOM 952 CD2 HIS A 65 -6.814 2.302 8.237 1.00 0.00 C ATOM 953 CE1 HIS A 65 -6.373 0.420 9.269 1.00 0.00 C ATOM 954 NE2 HIS A 65 -6.088 1.138 8.200 1.00 0.00 N ATOM 0 HA HIS A 65 -9.212 4.081 8.056 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -7.999 4.171 10.206 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -8.976 2.858 10.831 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -7.659 0.759 10.873 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.796 3.092 7.501 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -5.953 -0.545 9.512 1.00 0.00 H new ATOM 963 N LEU A 66 -11.404 1.997 9.335 1.00 0.00 N ATOM 964 CA LEU A 66 -12.208 0.814 9.048 1.00 0.00 C ATOM 965 C LEU A 66 -12.819 0.904 7.654 1.00 0.00 C ATOM 966 O LEU A 66 -12.821 -0.071 6.902 1.00 0.00 O ATOM 967 CB LEU A 66 -13.311 0.654 10.100 1.00 0.00 C ATOM 968 CG LEU A 66 -13.164 -0.567 11.010 1.00 0.00 C ATOM 969 CD1 LEU A 66 -14.254 -0.577 12.070 1.00 0.00 C ATOM 970 CD2 LEU A 66 -13.202 -1.848 10.190 1.00 0.00 C ATOM 0 H LEU A 66 -11.668 2.491 10.188 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.558 -0.060 9.084 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.334 1.550 10.720 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.273 0.595 9.590 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.199 -0.509 11.513 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -14.133 -1.453 12.708 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -14.181 0.326 12.676 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -15.231 -0.612 11.587 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.096 -2.707 10.852 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -14.152 -1.913 9.660 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -12.385 -1.843 9.469 1.00 0.00 H new ATOM 982 N GLU A 67 -13.325 2.083 7.310 1.00 0.00 N ATOM 983 CA GLU A 67 -13.925 2.299 6.001 1.00 0.00 C ATOM 984 C GLU A 67 -12.883 2.102 4.907 1.00 0.00 C ATOM 985 O GLU A 67 -13.148 1.453 3.894 1.00 0.00 O ATOM 986 CB GLU A 67 -14.526 3.703 5.913 1.00 0.00 C ATOM 987 CG GLU A 67 -16.023 3.743 6.169 1.00 0.00 C ATOM 988 CD GLU A 67 -16.373 3.496 7.624 1.00 0.00 C ATOM 989 OE1 GLU A 67 -15.680 2.683 8.271 1.00 0.00 O ATOM 990 OE2 GLU A 67 -17.338 4.117 8.115 1.00 0.00 O ATOM 0 H GLU A 67 -13.331 2.901 7.919 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.724 1.571 5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.025 4.349 6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.324 4.114 4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.414 4.714 5.865 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.514 2.993 5.549 1.00 0.00 H new ATOM 997 N VAL A 68 -11.694 2.655 5.125 1.00 0.00 N ATOM 998 CA VAL A 68 -10.609 2.527 4.163 1.00 0.00 C ATOM 999 C VAL A 68 -10.204 1.067 4.017 1.00 0.00 C ATOM 1000 O VAL A 68 -10.060 0.555 2.904 1.00 0.00 O ATOM 1001 CB VAL A 68 -9.377 3.353 4.585 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -8.339 3.375 3.472 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -9.784 4.767 4.975 1.00 0.00 C ATOM 0 H VAL A 68 -11.459 3.195 5.958 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.973 2.909 3.209 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.929 2.878 5.458 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.478 3.963 3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.021 2.356 3.251 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.774 3.822 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.900 5.332 5.269 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.261 5.256 4.125 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.483 4.727 5.810 1.00 0.00 H new ATOM 1013 N VAL A 69 -10.039 0.395 5.153 1.00 0.00 N ATOM 1014 CA VAL A 69 -9.669 -1.012 5.157 1.00 0.00 C ATOM 1015 C VAL A 69 -10.743 -1.843 4.469 1.00 0.00 C ATOM 1016 O VAL A 69 -10.443 -2.726 3.664 1.00 0.00 O ATOM 1017 CB VAL A 69 -9.462 -1.539 6.590 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -8.939 -2.968 6.567 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -8.515 -0.632 7.362 1.00 0.00 C ATOM 0 H VAL A 69 -10.156 0.804 6.080 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.728 -1.102 4.615 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.427 -1.538 7.098 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.800 -3.321 7.589 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.657 -3.610 6.056 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.986 -2.998 6.040 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.381 -1.021 8.372 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.550 -0.598 6.856 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.934 0.373 7.413 1.00 0.00 H new ATOM 1029 N LYS A 70 -12.001 -1.543 4.783 1.00 0.00 N ATOM 1030 CA LYS A 70 -13.125 -2.249 4.187 1.00 0.00 C ATOM 1031 C LYS A 70 -13.191 -1.972 2.691 1.00 0.00 C ATOM 1032 O LYS A 70 -13.495 -2.862 1.896 1.00 0.00 O ATOM 1033 CB LYS A 70 -14.435 -1.830 4.858 1.00 0.00 C ATOM 1034 CG LYS A 70 -14.771 -2.641 6.097 1.00 0.00 C ATOM 1035 CD LYS A 70 -16.267 -2.650 6.368 1.00 0.00 C ATOM 1036 CE LYS A 70 -16.697 -1.423 7.158 1.00 0.00 C ATOM 1037 NZ LYS A 70 -18.021 -1.621 7.813 1.00 0.00 N ATOM 0 H LYS A 70 -12.264 -0.815 5.447 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.981 -3.319 4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.373 -0.776 5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.249 -1.927 4.139 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -14.417 -3.664 5.971 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -14.247 -2.226 6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -16.809 -2.684 5.423 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.533 -3.551 6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.947 -1.198 7.916 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.746 -0.561 6.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.279 -0.763 8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -18.742 -1.811 7.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -17.967 -2.427 8.467 1.00 0.00 H new ATOM 1051 N LEU A 71 -12.896 -0.731 2.315 1.00 0.00 N ATOM 1052 CA LEU A 71 -12.913 -0.335 0.913 1.00 0.00 C ATOM 1053 C LEU A 71 -11.782 -1.015 0.151 1.00 0.00 C ATOM 1054 O LEU A 71 -11.969 -1.482 -0.970 1.00 0.00 O ATOM 1055 CB LEU A 71 -12.794 1.188 0.786 1.00 0.00 C ATOM 1056 CG LEU A 71 -14.046 1.894 0.264 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -14.023 3.368 0.640 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -14.161 1.727 -1.244 1.00 0.00 C ATOM 0 H LEU A 71 -12.643 0.016 2.962 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.862 -0.650 0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.544 1.600 1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.962 1.418 0.121 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.920 1.436 0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -14.922 3.854 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.988 3.466 1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -13.143 3.841 0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -15.057 2.235 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.284 2.159 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.224 0.667 -1.489 1.00 0.00 H new ATOM 1070 N ILE A 72 -10.606 -1.071 0.772 1.00 0.00 N ATOM 1071 CA ILE A 72 -9.450 -1.703 0.149 1.00 0.00 C ATOM 1072 C ILE A 72 -9.618 -3.219 0.109 1.00 0.00 C ATOM 1073 O ILE A 72 -9.234 -3.871 -0.863 1.00 0.00 O ATOM 1074 CB ILE A 72 -8.145 -1.358 0.894 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -7.963 0.159 0.978 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -6.949 -1.998 0.203 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -7.207 0.609 2.209 1.00 0.00 C ATOM 0 H ILE A 72 -10.431 -0.688 1.701 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.385 -1.316 -0.868 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.212 -1.756 1.906 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.433 0.503 0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.943 0.636 0.969 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.037 -1.743 0.743 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.073 -3.081 0.190 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.880 -1.629 -0.820 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.115 1.695 2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.747 0.296 3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.213 0.161 2.210 1.00 0.00 H new ATOM 1089 N LYS A 73 -10.194 -3.774 1.171 1.00 0.00 N ATOM 1090 CA LYS A 73 -10.412 -5.214 1.257 1.00 0.00 C ATOM 1091 C LYS A 73 -11.566 -5.652 0.358 1.00 0.00 C ATOM 1092 O LYS A 73 -11.607 -6.796 -0.097 1.00 0.00 O ATOM 1093 CB LYS A 73 -10.697 -5.622 2.703 1.00 0.00 C ATOM 1094 CG LYS A 73 -9.451 -6.021 3.477 1.00 0.00 C ATOM 1095 CD LYS A 73 -9.654 -7.326 4.233 1.00 0.00 C ATOM 1096 CE LYS A 73 -8.926 -7.319 5.568 1.00 0.00 C ATOM 1097 NZ LYS A 73 -9.778 -7.854 6.665 1.00 0.00 N ATOM 0 H LYS A 73 -10.518 -3.249 1.983 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.504 -5.711 0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.184 -4.793 3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.399 -6.456 2.705 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.612 -6.126 2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.190 -5.230 4.180 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.719 -7.489 4.400 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.295 -8.158 3.627 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.017 -7.916 5.490 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.619 -6.301 5.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.247 -7.833 7.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.633 -7.270 6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.050 -8.834 6.447 1.00 0.00 H new ATOM 1111 N SER A 74 -12.503 -4.742 0.109 1.00 0.00 N ATOM 1112 CA SER A 74 -13.656 -5.041 -0.732 1.00 0.00 C ATOM 1113 C SER A 74 -13.227 -5.362 -2.160 1.00 0.00 C ATOM 1114 O SER A 74 -13.292 -4.509 -3.045 1.00 0.00 O ATOM 1115 CB SER A 74 -14.634 -3.864 -0.734 1.00 0.00 C ATOM 1116 OG SER A 74 -14.081 -2.743 -1.401 1.00 0.00 O ATOM 0 H SER A 74 -12.486 -3.791 0.478 1.00 0.00 H new ATOM 0 HA SER A 74 -14.153 -5.918 -0.318 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.563 -4.160 -1.222 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.885 -3.594 0.292 1.00 0.00 H new ATOM 0 HG SER A 74 -13.119 -2.695 -1.218 1.00 0.00 H new ATOM 1122 N GLY A 75 -12.790 -6.598 -2.377 1.00 0.00 N ATOM 1123 CA GLY A 75 -12.359 -7.011 -3.699 1.00 0.00 C ATOM 1124 C GLY A 75 -11.090 -7.842 -3.665 1.00 0.00 C ATOM 1125 O GLY A 75 -10.206 -7.602 -2.845 1.00 0.00 O ATOM 0 H GLY A 75 -12.727 -7.321 -1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.154 -7.587 -4.173 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.194 -6.128 -4.316 1.00 0.00 H new ATOM 1129 N SER A 76 -11.003 -8.820 -4.561 1.00 0.00 N ATOM 1130 CA SER A 76 -9.834 -9.689 -4.631 1.00 0.00 C ATOM 1131 C SER A 76 -8.631 -8.934 -5.190 1.00 0.00 C ATOM 1132 O SER A 76 -7.566 -8.900 -4.572 1.00 0.00 O ATOM 1133 CB SER A 76 -10.133 -10.911 -5.501 1.00 0.00 C ATOM 1134 OG SER A 76 -10.665 -10.527 -6.757 1.00 0.00 O ATOM 0 H SER A 76 -11.727 -9.030 -5.248 1.00 0.00 H new ATOM 0 HA SER A 76 -9.596 -10.021 -3.621 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.220 -11.487 -5.650 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.840 -11.562 -4.987 1.00 0.00 H new ATOM 0 HG SER A 76 -10.846 -11.327 -7.294 1.00 0.00 H new ATOM 1140 N TYR A 77 -8.810 -8.330 -6.360 1.00 0.00 N ATOM 1141 CA TYR A 77 -7.741 -7.571 -7.000 1.00 0.00 C ATOM 1142 C TYR A 77 -7.864 -6.087 -6.674 1.00 0.00 C ATOM 1143 O TYR A 77 -8.863 -5.450 -7.005 1.00 0.00 O ATOM 1144 CB TYR A 77 -7.778 -7.779 -8.515 1.00 0.00 C ATOM 1145 CG TYR A 77 -6.914 -8.926 -8.992 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -7.110 -10.213 -8.509 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -5.904 -8.719 -9.923 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -6.322 -11.264 -8.942 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -5.115 -9.764 -10.362 1.00 0.00 C ATOM 1150 CZ TYR A 77 -5.327 -11.035 -9.868 1.00 0.00 C ATOM 1151 OH TYR A 77 -4.541 -12.079 -10.301 1.00 0.00 O ATOM 0 H TYR A 77 -9.685 -8.351 -6.884 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.787 -7.932 -6.615 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.808 -7.959 -8.823 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.453 -6.862 -9.007 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.890 -10.396 -7.784 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.733 -7.725 -10.310 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.486 -12.259 -8.556 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.336 -9.587 -11.089 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.889 -11.749 -10.953 1.00 0.00 H new ATOM 1161 N VAL A 78 -6.843 -5.543 -6.020 1.00 0.00 N ATOM 1162 CA VAL A 78 -6.842 -4.134 -5.647 1.00 0.00 C ATOM 1163 C VAL A 78 -5.591 -3.427 -6.158 1.00 0.00 C ATOM 1164 O VAL A 78 -4.468 -3.828 -5.853 1.00 0.00 O ATOM 1165 CB VAL A 78 -6.925 -3.958 -4.119 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -7.138 -2.496 -3.759 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -8.034 -4.824 -3.541 1.00 0.00 C ATOM 0 H VAL A 78 -6.007 -6.056 -5.738 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.723 -3.687 -6.108 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.979 -4.280 -3.684 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.194 -2.393 -2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.305 -1.903 -4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.068 -2.143 -4.206 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.077 -4.686 -2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.988 -4.536 -3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.832 -5.871 -3.765 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.795 -2.368 -6.935 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.686 -1.599 -7.487 1.00 0.00 C ATOM 1179 C ALA A 79 -4.679 -0.181 -6.928 1.00 0.00 C ATOM 1180 O ALA A 79 -5.457 0.671 -7.358 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.769 -1.570 -9.006 1.00 0.00 C ATOM 0 H ALA A 79 -6.719 -2.023 -7.197 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.754 -2.084 -7.196 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.935 -0.993 -9.405 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.723 -2.588 -9.392 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.708 -1.108 -9.310 1.00 0.00 H new ATOM 1187 N LEU A 80 -3.796 0.065 -5.965 1.00 0.00 N ATOM 1188 CA LEU A 80 -3.690 1.381 -5.343 1.00 0.00 C ATOM 1189 C LEU A 80 -2.355 2.038 -5.677 1.00 0.00 C ATOM 1190 O LEU A 80 -1.308 1.390 -5.651 1.00 0.00 O ATOM 1191 CB LEU A 80 -3.847 1.265 -3.827 1.00 0.00 C ATOM 1192 CG LEU A 80 -2.999 0.170 -3.169 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -2.239 0.726 -1.974 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -3.873 -1.002 -2.747 1.00 0.00 C ATOM 0 H LEU A 80 -3.144 -0.629 -5.599 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.490 2.006 -5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.589 2.223 -3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.896 1.077 -3.599 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.274 -0.187 -3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.643 -0.066 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.582 1.531 -2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.947 1.112 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.254 -1.769 -2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.622 -0.659 -2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.370 -1.419 -3.623 1.00 0.00 H new ATOM 1206 N THR A 81 -2.398 3.331 -5.986 1.00 0.00 N ATOM 1207 CA THR A 81 -1.192 4.077 -6.320 1.00 0.00 C ATOM 1208 C THR A 81 -0.503 4.580 -5.056 1.00 0.00 C ATOM 1209 O THR A 81 -1.048 5.412 -4.330 1.00 0.00 O ATOM 1210 CB THR A 81 -1.530 5.255 -7.235 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.188 4.808 -8.406 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.315 6.049 -7.664 1.00 0.00 C ATOM 0 H THR A 81 -3.256 3.882 -6.012 1.00 0.00 H new ATOM 0 HA THR A 81 -0.511 3.406 -6.844 1.00 0.00 H new ATOM 0 HB THR A 81 -2.176 5.904 -6.643 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.714 4.032 -8.772 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.626 6.869 -8.311 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.186 6.451 -6.784 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.371 5.399 -8.207 1.00 0.00 H new ATOM 1220 N VAL A 82 0.697 4.070 -4.796 1.00 0.00 N ATOM 1221 CA VAL A 82 1.456 4.468 -3.616 1.00 0.00 C ATOM 1222 C VAL A 82 2.707 5.249 -4.001 1.00 0.00 C ATOM 1223 O VAL A 82 3.071 5.320 -5.174 1.00 0.00 O ATOM 1224 CB VAL A 82 1.868 3.245 -2.776 1.00 0.00 C ATOM 1225 CG1 VAL A 82 0.673 2.689 -2.017 1.00 0.00 C ATOM 1226 CG2 VAL A 82 2.492 2.176 -3.660 1.00 0.00 C ATOM 0 H VAL A 82 1.164 3.381 -5.386 1.00 0.00 H new ATOM 0 HA VAL A 82 0.802 5.107 -3.022 1.00 0.00 H new ATOM 0 HB VAL A 82 2.614 3.563 -2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.985 1.825 -1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.275 3.456 -1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.099 2.387 -2.725 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.777 1.319 -3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.771 1.860 -4.414 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.376 2.581 -4.152 1.00 0.00 H new ATOM 1236 N GLN A 83 3.360 5.834 -3.002 1.00 0.00 N ATOM 1237 CA GLN A 83 4.572 6.612 -3.232 1.00 0.00 C ATOM 1238 C GLN A 83 5.686 6.173 -2.286 1.00 0.00 C ATOM 1239 O GLN A 83 5.435 5.831 -1.131 1.00 0.00 O ATOM 1240 CB GLN A 83 4.288 8.103 -3.044 1.00 0.00 C ATOM 1241 CG GLN A 83 5.416 9.002 -3.523 1.00 0.00 C ATOM 1242 CD GLN A 83 4.914 10.224 -4.265 1.00 0.00 C ATOM 1243 OE1 GLN A 83 5.475 10.618 -5.289 1.00 0.00 O ATOM 1244 NE2 GLN A 83 3.850 10.832 -3.754 1.00 0.00 N ATOM 0 H GLN A 83 3.070 5.784 -2.025 1.00 0.00 H new ATOM 0 HA GLN A 83 4.898 6.437 -4.257 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.376 8.361 -3.581 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.102 8.299 -1.988 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.010 9.321 -2.666 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.077 8.432 -4.175 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.416 10.472 -2.904 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.466 11.659 -4.212 1.00 0.00 H new ATOM 1253 N GLY A 84 6.917 6.186 -2.785 1.00 0.00 N ATOM 1254 CA GLY A 84 8.051 5.786 -1.972 1.00 0.00 C ATOM 1255 C GLY A 84 9.320 5.624 -2.783 1.00 0.00 C ATOM 1256 O GLY A 84 9.327 5.860 -3.992 1.00 0.00 O ATOM 0 H GLY A 84 7.150 6.466 -3.738 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.215 6.530 -1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.821 4.845 -1.472 1.00 0.00 H new