USER MOD reduce.3.24.130724 H: found=0, std=0, add=1053, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1052 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 ASN :FLIP amide:sc= 0.464 F(o=0.013,f=1.3) USER MOD Set 1.2: A 142 TYR OH : rot 62:sc= 0.82 USER MOD Set 2.1: A 60 ASN :FLIP amide:sc= 0.255 F(o=-0.26,f=0.74) USER MOD Set 2.2: A 64 ASN :FLIP amide:sc= 0.482 F(o=-0.65,f=0.74) USER MOD Set 3.1: A 41 LYS NZ :NH3+ -168:sc= 2.18 (180deg=0.558) USER MOD Set 3.2: A 184 ASN : amide:sc= 1 K(o=3.2,f=-13!) USER MOD Set 4.1: A 40 HIS : no HE2:sc= 1.85 K(o=1.6,f=-11!) USER MOD Set 4.2: A 179 HIS : no HE2:sc= -0.248 K(o=1.6,f=-6.2!) USER MOD Single : A 32 THR OG1 : rot -36:sc= 0.146 USER MOD Single : A 33 THR OG1 : rot -102:sc= 1.17 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00267 USER MOD Single : A 36 SER OG : rot 120:sc= -0.418 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 167:sc= -0.877 (180deg=-1.34) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.649 K(o=0.65,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.225 K(o=-0.23,f=-0.74) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -171:sc= 0 (180deg=-0.0972) USER MOD Single : A 84 THR OG1 : rot -33:sc= 0.935 USER MOD Single : A 85 ASN : amide:sc= -0.865 X(o=-0.87,f=-1.3) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= 0.801 K(o=0.8,f=-0.89) USER MOD Single : A 96 GLN : amide:sc= -0.311 K(o=-0.31,f=-1.4) USER MOD Single : A 97 THR OG1 : rot 155:sc= 1.25 USER MOD Single : A 101 ASN : amide:sc= -0.397 X(o=-0.4,f=-0.081) USER MOD Single : A 105 GLN :FLIP amide:sc= 0 F(o=-1.8,f=0) USER MOD Single : A 106 THR OG1 : rot -170:sc=-0.00765 USER MOD Single : A 108 LYS NZ :NH3+ 169:sc= 0.771 (180deg=0.699) USER MOD Single : A 110 SER OG : rot 180:sc= 0.32 USER MOD Single : A 113 MET CE :methyl 159:sc= -0.0917 (180deg=-0.343) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 160:sc= -0.485 (180deg=-1.74!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot -170:sc= -0.272 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 ASN : amide:sc= 1.55 K(o=1.6,f=-6!) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 ASN : amide:sc=-0.00742 K(o=-0.0074,f=-1.4) USER MOD Single : A 138 LYS NZ :NH3+ 156:sc= 0.583 (180deg=-0.0463) USER MOD Single : A 139 TYR OH : rot 7:sc= 0.768 USER MOD Single : A 140 LYS NZ :NH3+ 165:sc= 1.07 (180deg=0.897) USER MOD Single : A 145 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 146 SER OG : rot 180:sc= 0.0177 USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 ASN : amide:sc= 0.0699 K(o=0.07,f=-2.2) USER MOD Single : A 181 TYR OH : rot 180:sc= 0 USER MOD Single : A 183 LYS NZ :NH3+ 160:sc= -0.0584 (180deg=-0.594) USER MOD Single : A 185 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N THR A 32 -0.950 -19.827 -1.823 1.00 0.93 N ATOM 168 CA THR A 32 -0.272 -18.747 -2.573 1.00 0.77 C ATOM 169 C THR A 32 1.137 -19.181 -3.014 1.00 0.81 C ATOM 170 O THR A 32 1.506 -20.350 -2.860 1.00 1.04 O ATOM 171 CB THR A 32 -0.177 -17.476 -1.707 1.00 0.81 C ATOM 172 OG1 THR A 32 0.443 -17.767 -0.474 1.00 1.07 O ATOM 173 CG2 THR A 32 -1.511 -16.789 -1.437 1.00 0.78 C ATOM 0 HA THR A 32 -0.863 -18.534 -3.464 1.00 0.77 H new ATOM 0 HB THR A 32 0.420 -16.779 -2.295 1.00 0.81 H new ATOM 0 HG1 THR A 32 0.173 -18.660 -0.175 1.00 1.07 H new ATOM 0 HG21 THR A 32 -1.347 -15.905 -0.821 1.00 0.78 H new ATOM 0 HG22 THR A 32 -1.966 -16.493 -2.382 1.00 0.78 H new ATOM 0 HG23 THR A 32 -2.176 -17.477 -0.915 1.00 0.78 H new ATOM 181 N THR A 33 1.938 -18.262 -3.575 1.00 0.72 N ATOM 182 CA THR A 33 3.378 -18.483 -3.859 1.00 0.76 C ATOM 183 C THR A 33 4.313 -17.827 -2.823 1.00 0.75 C ATOM 184 O THR A 33 5.475 -18.225 -2.718 1.00 0.96 O ATOM 185 CB THR A 33 3.712 -18.141 -5.325 1.00 0.87 C ATOM 186 OG1 THR A 33 5.067 -18.321 -5.672 1.00 2.21 O ATOM 187 CG2 THR A 33 3.344 -16.722 -5.696 1.00 2.46 C ATOM 0 H THR A 33 1.609 -17.336 -3.849 1.00 0.72 H new ATOM 0 HA THR A 33 3.575 -19.549 -3.742 1.00 0.76 H new ATOM 0 HB THR A 33 3.105 -18.855 -5.882 1.00 0.87 H new ATOM 0 HG1 THR A 33 5.518 -17.451 -5.693 1.00 2.21 H new ATOM 0 HG21 THR A 33 3.603 -16.540 -6.739 1.00 2.46 H new ATOM 0 HG22 THR A 33 2.273 -16.576 -5.557 1.00 2.46 H new ATOM 0 HG23 THR A 33 3.891 -16.026 -5.060 1.00 2.46 H new ATOM 195 N THR A 34 3.824 -16.875 -2.013 1.00 0.70 N ATOM 196 CA THR A 34 4.630 -16.049 -1.099 1.00 0.77 C ATOM 197 C THR A 34 3.914 -15.785 0.239 1.00 0.60 C ATOM 198 O THR A 34 2.727 -15.456 0.248 1.00 0.76 O ATOM 199 CB THR A 34 4.935 -14.700 -1.770 1.00 1.14 C ATOM 200 OG1 THR A 34 5.389 -14.856 -3.096 1.00 2.55 O ATOM 201 CG2 THR A 34 6.015 -13.934 -1.033 1.00 1.18 C ATOM 0 H THR A 34 2.829 -16.652 -1.974 1.00 0.70 H new ATOM 0 HA THR A 34 5.547 -16.599 -0.886 1.00 0.77 H new ATOM 0 HB THR A 34 3.991 -14.155 -1.750 1.00 1.14 H new ATOM 0 HG1 THR A 34 5.570 -13.975 -3.486 1.00 2.55 H new ATOM 0 HG21 THR A 34 6.200 -12.987 -1.540 1.00 1.18 H new ATOM 0 HG22 THR A 34 5.691 -13.741 -0.010 1.00 1.18 H new ATOM 0 HG23 THR A 34 6.932 -14.522 -1.018 1.00 1.18 H new ATOM 209 N THR A 35 4.631 -15.869 1.369 1.00 0.52 N ATOM 210 CA THR A 35 4.081 -15.674 2.731 1.00 0.49 C ATOM 211 C THR A 35 3.974 -14.222 3.205 1.00 0.40 C ATOM 212 O THR A 35 3.219 -13.972 4.140 1.00 0.50 O ATOM 213 CB THR A 35 4.886 -16.443 3.790 1.00 0.74 C ATOM 214 OG1 THR A 35 6.261 -16.173 3.647 1.00 0.92 O ATOM 215 CG2 THR A 35 4.662 -17.949 3.688 1.00 0.98 C ATOM 0 H THR A 35 5.629 -16.078 1.369 1.00 0.52 H new ATOM 0 HA THR A 35 3.067 -16.062 2.633 1.00 0.49 H new ATOM 0 HB THR A 35 4.538 -16.107 4.767 1.00 0.74 H new ATOM 0 HG1 THR A 35 6.764 -16.667 4.328 1.00 0.92 H new ATOM 0 HG21 THR A 35 5.249 -18.457 4.454 1.00 0.98 H new ATOM 0 HG22 THR A 35 3.605 -18.170 3.834 1.00 0.98 H new ATOM 0 HG23 THR A 35 4.972 -18.297 2.703 1.00 0.98 H new ATOM 223 N SER A 36 4.673 -13.259 2.601 1.00 0.43 N ATOM 224 CA SER A 36 4.552 -11.825 2.900 1.00 0.40 C ATOM 225 C SER A 36 4.738 -10.920 1.678 1.00 0.42 C ATOM 226 O SER A 36 5.406 -11.271 0.706 1.00 0.75 O ATOM 227 CB SER A 36 5.517 -11.413 4.021 1.00 0.72 C ATOM 228 OG SER A 36 6.842 -11.872 3.820 1.00 1.46 O ATOM 0 H SER A 36 5.357 -13.457 1.871 1.00 0.43 H new ATOM 0 HA SER A 36 3.525 -11.681 3.235 1.00 0.40 H new ATOM 0 HB2 SER A 36 5.525 -10.326 4.102 1.00 0.72 H new ATOM 0 HB3 SER A 36 5.146 -11.800 4.970 1.00 0.72 H new ATOM 0 HG SER A 36 7.450 -11.105 3.771 1.00 1.46 H new ATOM 234 N VAL A 37 4.159 -9.723 1.770 1.00 0.33 N ATOM 235 CA VAL A 37 4.229 -8.621 0.798 1.00 0.31 C ATOM 236 C VAL A 37 4.997 -7.440 1.400 1.00 0.33 C ATOM 237 O VAL A 37 4.831 -7.130 2.581 1.00 0.34 O ATOM 238 CB VAL A 37 2.817 -8.245 0.298 1.00 0.30 C ATOM 239 CG1 VAL A 37 1.924 -7.758 1.429 1.00 0.31 C ATOM 240 CG2 VAL A 37 2.795 -7.181 -0.807 1.00 0.34 C ATOM 0 H VAL A 37 3.589 -9.476 2.579 1.00 0.33 H new ATOM 0 HA VAL A 37 4.785 -8.941 -0.083 1.00 0.31 H new ATOM 0 HB VAL A 37 2.438 -9.177 -0.122 1.00 0.30 H new ATOM 0 HG11 VAL A 37 0.941 -7.504 1.033 1.00 0.31 H new ATOM 0 HG12 VAL A 37 1.822 -8.545 2.177 1.00 0.31 H new ATOM 0 HG13 VAL A 37 2.368 -6.875 1.889 1.00 0.31 H new ATOM 0 HG21 VAL A 37 1.764 -6.979 -1.097 1.00 0.34 H new ATOM 0 HG22 VAL A 37 3.255 -6.264 -0.438 1.00 0.34 H new ATOM 0 HG23 VAL A 37 3.351 -7.543 -1.672 1.00 0.34 H new ATOM 250 N THR A 38 5.825 -6.759 0.606 1.00 0.40 N ATOM 251 CA THR A 38 6.507 -5.520 1.018 1.00 0.42 C ATOM 252 C THR A 38 5.885 -4.330 0.297 1.00 0.41 C ATOM 253 O THR A 38 5.931 -4.227 -0.927 1.00 0.43 O ATOM 254 CB THR A 38 8.028 -5.573 0.807 1.00 0.52 C ATOM 255 OG1 THR A 38 8.576 -6.680 1.489 1.00 0.78 O ATOM 256 CG2 THR A 38 8.734 -4.359 1.410 1.00 0.50 C ATOM 0 H THR A 38 6.046 -7.049 -0.347 1.00 0.40 H new ATOM 0 HA THR A 38 6.364 -5.406 2.092 1.00 0.42 H new ATOM 0 HB THR A 38 8.176 -5.620 -0.272 1.00 0.52 H new ATOM 0 HG1 THR A 38 9.545 -6.705 1.346 1.00 0.78 H new ATOM 0 HG21 THR A 38 9.807 -4.439 1.237 1.00 0.50 H new ATOM 0 HG22 THR A 38 8.358 -3.450 0.942 1.00 0.50 H new ATOM 0 HG23 THR A 38 8.541 -4.321 2.482 1.00 0.50 H new ATOM 264 N VAL A 39 5.284 -3.423 1.059 1.00 0.45 N ATOM 265 CA VAL A 39 4.717 -2.172 0.549 1.00 0.48 C ATOM 266 C VAL A 39 5.771 -1.068 0.642 1.00 0.55 C ATOM 267 O VAL A 39 6.356 -0.818 1.697 1.00 0.60 O ATOM 268 CB VAL A 39 3.365 -1.850 1.219 1.00 0.50 C ATOM 269 CG1 VAL A 39 3.374 -2.036 2.733 1.00 0.59 C ATOM 270 CG2 VAL A 39 2.848 -0.451 0.873 1.00 0.54 C ATOM 0 H VAL A 39 5.173 -3.535 2.067 1.00 0.45 H new ATOM 0 HA VAL A 39 4.466 -2.268 -0.507 1.00 0.48 H new ATOM 0 HB VAL A 39 2.678 -2.585 0.800 1.00 0.50 H new ATOM 0 HG11 VAL A 39 2.391 -1.792 3.135 1.00 0.59 H new ATOM 0 HG12 VAL A 39 3.616 -3.072 2.971 1.00 0.59 H new ATOM 0 HG13 VAL A 39 4.121 -1.378 3.176 1.00 0.59 H new ATOM 0 HG21 VAL A 39 1.894 -0.282 1.373 1.00 0.54 H new ATOM 0 HG22 VAL A 39 3.569 0.296 1.205 1.00 0.54 H new ATOM 0 HG23 VAL A 39 2.712 -0.370 -0.205 1.00 0.54 H new ATOM 280 N HIS A 40 6.035 -0.441 -0.498 1.00 0.59 N ATOM 281 CA HIS A 40 6.960 0.684 -0.671 1.00 0.63 C ATOM 282 C HIS A 40 6.161 1.997 -0.791 1.00 0.89 C ATOM 283 O HIS A 40 4.930 1.959 -0.789 1.00 1.78 O ATOM 284 CB HIS A 40 7.822 0.397 -1.913 1.00 0.55 C ATOM 285 CG HIS A 40 8.588 -0.907 -1.835 1.00 0.47 C ATOM 286 ND1 HIS A 40 9.854 -1.072 -1.325 1.00 0.53 N ATOM 287 CD2 HIS A 40 8.154 -2.149 -2.225 1.00 0.43 C ATOM 288 CE1 HIS A 40 10.179 -2.371 -1.407 1.00 0.56 C ATOM 289 NE2 HIS A 40 9.169 -3.076 -1.944 1.00 0.49 N ATOM 0 H HIS A 40 5.590 -0.714 -1.374 1.00 0.59 H new ATOM 0 HA HIS A 40 7.620 0.798 0.189 1.00 0.63 H new ATOM 0 HB2 HIS A 40 7.180 0.379 -2.794 1.00 0.55 H new ATOM 0 HB3 HIS A 40 8.529 1.215 -2.051 1.00 0.55 H new ATOM 0 HD1 HIS A 40 10.446 -0.332 -0.948 1.00 0.53 H new ATOM 0 HD2 HIS A 40 7.197 -2.374 -2.671 1.00 0.43 H new ATOM 0 HE1 HIS A 40 11.121 -2.791 -1.086 1.00 0.56 H new ATOM 297 N LYS A 41 6.803 3.174 -0.892 1.00 0.61 N ATOM 298 CA LYS A 41 6.078 4.410 -1.262 1.00 0.62 C ATOM 299 C LYS A 41 6.909 5.325 -2.167 1.00 0.68 C ATOM 300 O LYS A 41 8.002 5.763 -1.807 1.00 0.73 O ATOM 301 CB LYS A 41 5.493 5.105 -0.009 1.00 0.61 C ATOM 302 CG LYS A 41 4.238 5.940 -0.339 1.00 0.87 C ATOM 303 CD LYS A 41 4.540 7.406 -0.666 1.00 0.99 C ATOM 304 CE LYS A 41 3.525 7.988 -1.659 1.00 0.80 C ATOM 305 NZ LYS A 41 2.227 8.324 -1.034 1.00 1.03 N ATOM 0 H LYS A 41 7.802 3.299 -0.727 1.00 0.61 H new ATOM 0 HA LYS A 41 5.221 4.133 -1.876 1.00 0.62 H new ATOM 0 HB2 LYS A 41 5.241 4.352 0.738 1.00 0.61 H new ATOM 0 HB3 LYS A 41 6.251 5.751 0.434 1.00 0.61 H new ATOM 0 HG2 LYS A 41 3.724 5.487 -1.187 1.00 0.87 H new ATOM 0 HG3 LYS A 41 3.553 5.900 0.508 1.00 0.87 H new ATOM 0 HD2 LYS A 41 4.528 7.993 0.252 1.00 0.99 H new ATOM 0 HD3 LYS A 41 5.544 7.486 -1.083 1.00 0.99 H new ATOM 0 HE2 LYS A 41 3.945 8.885 -2.114 1.00 0.80 H new ATOM 0 HE3 LYS A 41 3.359 7.270 -2.462 1.00 0.80 H new ATOM 0 HZ1 LYS A 41 1.524 8.517 -1.776 1.00 1.03 H new ATOM 0 HZ2 LYS A 41 1.905 7.525 -0.452 1.00 1.03 H new ATOM 0 HZ3 LYS A 41 2.338 9.166 -0.434 1.00 1.03 H new ATOM 319 N LEU A 42 6.377 5.601 -3.360 1.00 0.70 N ATOM 320 CA LEU A 42 7.057 6.341 -4.427 1.00 0.78 C ATOM 321 C LEU A 42 6.495 7.762 -4.589 1.00 0.85 C ATOM 322 O LEU A 42 5.360 8.037 -4.201 1.00 0.90 O ATOM 323 CB LEU A 42 6.950 5.558 -5.752 1.00 0.75 C ATOM 324 CG LEU A 42 7.502 4.124 -5.770 1.00 0.69 C ATOM 325 CD1 LEU A 42 7.582 3.653 -7.224 1.00 0.69 C ATOM 326 CD2 LEU A 42 8.891 3.984 -5.160 1.00 0.73 C ATOM 0 H LEU A 42 5.435 5.308 -3.618 1.00 0.70 H new ATOM 0 HA LEU A 42 8.107 6.443 -4.151 1.00 0.78 H new ATOM 0 HB2 LEU A 42 5.898 5.518 -6.036 1.00 0.75 H new ATOM 0 HB3 LEU A 42 7.467 6.128 -6.523 1.00 0.75 H new ATOM 0 HG LEU A 42 6.822 3.524 -5.165 1.00 0.69 H new ATOM 0 HD11 LEU A 42 7.972 2.636 -7.256 1.00 0.69 H new ATOM 0 HD12 LEU A 42 6.587 3.674 -7.669 1.00 0.69 H new ATOM 0 HD13 LEU A 42 8.244 4.313 -7.784 1.00 0.69 H new ATOM 0 HD21 LEU A 42 9.208 2.942 -5.212 1.00 0.73 H new ATOM 0 HD22 LEU A 42 9.596 4.605 -5.713 1.00 0.73 H new ATOM 0 HD23 LEU A 42 8.865 4.304 -4.118 1.00 0.73 H new ATOM 338 N LEU A 43 7.282 8.648 -5.205 1.00 0.87 N ATOM 339 CA LEU A 43 6.859 9.979 -5.654 1.00 0.87 C ATOM 340 C LEU A 43 7.600 10.357 -6.953 1.00 0.93 C ATOM 341 O LEU A 43 8.570 9.710 -7.354 1.00 0.97 O ATOM 342 CB LEU A 43 7.096 11.016 -4.524 1.00 0.88 C ATOM 343 CG LEU A 43 5.921 11.955 -4.178 1.00 1.08 C ATOM 344 CD1 LEU A 43 5.367 12.758 -5.356 1.00 2.19 C ATOM 345 CD2 LEU A 43 4.766 11.187 -3.546 1.00 0.99 C ATOM 0 H LEU A 43 8.262 8.454 -5.412 1.00 0.87 H new ATOM 0 HA LEU A 43 5.792 9.972 -5.876 1.00 0.87 H new ATOM 0 HB2 LEU A 43 7.375 10.474 -3.620 1.00 0.88 H new ATOM 0 HB3 LEU A 43 7.951 11.632 -4.803 1.00 0.88 H new ATOM 0 HG LEU A 43 6.355 12.666 -3.476 1.00 1.08 H new ATOM 0 HD11 LEU A 43 4.546 13.387 -5.013 1.00 2.19 H new ATOM 0 HD12 LEU A 43 6.156 13.385 -5.772 1.00 2.19 H new ATOM 0 HD13 LEU A 43 5.004 12.075 -6.124 1.00 2.19 H new ATOM 0 HD21 LEU A 43 3.954 11.877 -3.314 1.00 0.99 H new ATOM 0 HD22 LEU A 43 4.410 10.428 -4.242 1.00 0.99 H new ATOM 0 HD23 LEU A 43 5.107 10.707 -2.629 1.00 0.99 H new ATOM 357 N ALA A 44 7.151 11.421 -7.614 1.00 0.95 N ATOM 358 CA ALA A 44 7.836 12.030 -8.752 1.00 1.03 C ATOM 359 C ALA A 44 8.859 13.094 -8.295 1.00 1.31 C ATOM 360 O ALA A 44 8.706 13.663 -7.212 1.00 1.39 O ATOM 361 CB ALA A 44 6.766 12.615 -9.673 1.00 1.04 C ATOM 0 H ALA A 44 6.282 11.895 -7.368 1.00 0.95 H new ATOM 0 HA ALA A 44 8.416 11.281 -9.292 1.00 1.03 H new ATOM 0 HB1 ALA A 44 7.243 13.079 -10.536 1.00 1.04 H new ATOM 0 HB2 ALA A 44 6.101 11.819 -10.010 1.00 1.04 H new ATOM 0 HB3 ALA A 44 6.189 13.364 -9.131 1.00 1.04 H new ATOM 367 N THR A 45 9.875 13.408 -9.109 1.00 1.50 N ATOM 368 CA THR A 45 10.860 14.470 -8.795 1.00 1.75 C ATOM 369 C THR A 45 10.361 15.877 -9.140 1.00 1.87 C ATOM 370 O THR A 45 10.703 16.826 -8.434 1.00 2.09 O ATOM 371 CB THR A 45 12.234 14.228 -9.454 1.00 1.77 C ATOM 372 OG1 THR A 45 12.152 14.148 -10.859 1.00 1.63 O ATOM 373 CG2 THR A 45 12.893 12.935 -8.981 1.00 1.79 C ATOM 0 H THR A 45 10.043 12.941 -10.000 1.00 1.50 H new ATOM 0 HA THR A 45 10.985 14.414 -7.714 1.00 1.75 H new ATOM 0 HB THR A 45 12.830 15.090 -9.154 1.00 1.77 H new ATOM 0 HG1 THR A 45 13.046 13.996 -11.231 1.00 1.63 H new ATOM 0 HG21 THR A 45 13.856 12.815 -9.477 1.00 1.79 H new ATOM 0 HG22 THR A 45 13.043 12.976 -7.902 1.00 1.79 H new ATOM 0 HG23 THR A 45 12.251 12.089 -9.226 1.00 1.79 H new ATOM 381 N ASP A 46 9.543 16.027 -10.190 1.00 1.80 N ATOM 382 CA ASP A 46 9.056 17.313 -10.722 1.00 2.06 C ATOM 383 C ASP A 46 7.552 17.236 -11.099 1.00 1.98 C ATOM 384 O ASP A 46 7.102 17.806 -12.095 1.00 2.16 O ATOM 385 CB ASP A 46 9.982 17.719 -11.889 1.00 2.28 C ATOM 386 CG ASP A 46 9.978 19.198 -12.288 1.00 2.85 C ATOM 387 OD1 ASP A 46 9.839 20.108 -11.435 1.00 3.39 O ATOM 388 OD2 ASP A 46 10.236 19.486 -13.481 1.00 3.62 O ATOM 0 H ASP A 46 9.187 15.228 -10.714 1.00 1.80 H new ATOM 0 HA ASP A 46 9.102 18.095 -9.965 1.00 2.06 H new ATOM 0 HB2 ASP A 46 11.002 17.440 -11.626 1.00 2.28 H new ATOM 0 HB3 ASP A 46 9.706 17.130 -12.763 1.00 2.28 H new ATOM 393 N GLY A 47 6.761 16.469 -10.333 1.00 1.82 N ATOM 394 CA GLY A 47 5.307 16.291 -10.521 1.00 1.81 C ATOM 395 C GLY A 47 4.871 15.256 -11.575 1.00 1.59 C ATOM 396 O GLY A 47 3.692 15.180 -11.916 1.00 1.67 O ATOM 0 H GLY A 47 7.123 15.938 -9.541 1.00 1.82 H new ATOM 0 HA2 GLY A 47 4.872 16.006 -9.563 1.00 1.81 H new ATOM 0 HA3 GLY A 47 4.878 17.255 -10.792 1.00 1.81 H new ATOM 400 N ASP A 48 5.802 14.440 -12.069 1.00 1.36 N ATOM 401 CA ASP A 48 5.687 13.413 -13.128 1.00 1.17 C ATOM 402 C ASP A 48 4.871 12.146 -12.776 1.00 1.10 C ATOM 403 O ASP A 48 5.176 11.053 -13.257 1.00 1.09 O ATOM 404 CB ASP A 48 7.112 13.008 -13.552 1.00 1.05 C ATOM 405 CG ASP A 48 8.036 14.220 -13.688 1.00 1.24 C ATOM 406 OD1 ASP A 48 8.054 14.857 -14.769 1.00 1.88 O ATOM 407 OD2 ASP A 48 8.712 14.559 -12.691 1.00 2.35 O ATOM 0 H ASP A 48 6.755 14.478 -11.707 1.00 1.36 H new ATOM 0 HA ASP A 48 5.116 13.879 -13.931 1.00 1.17 H new ATOM 0 HB2 ASP A 48 7.526 12.317 -12.818 1.00 1.05 H new ATOM 0 HB3 ASP A 48 7.070 12.476 -14.502 1.00 1.05 H new ATOM 412 N MET A 49 3.846 12.248 -11.925 1.00 1.10 N ATOM 413 CA MET A 49 3.093 11.070 -11.477 1.00 1.06 C ATOM 414 C MET A 49 2.368 10.338 -12.619 1.00 1.08 C ATOM 415 O MET A 49 2.284 9.112 -12.572 1.00 1.09 O ATOM 416 CB MET A 49 2.105 11.435 -10.357 1.00 1.12 C ATOM 417 CG MET A 49 2.736 11.869 -9.027 1.00 1.03 C ATOM 418 SD MET A 49 3.101 10.555 -7.810 1.00 0.87 S ATOM 419 CE MET A 49 4.223 9.444 -8.700 1.00 0.75 C ATOM 0 H MET A 49 3.518 13.131 -11.533 1.00 1.10 H new ATOM 0 HA MET A 49 3.834 10.375 -11.083 1.00 1.06 H new ATOM 0 HB2 MET A 49 1.463 12.240 -10.713 1.00 1.12 H new ATOM 0 HB3 MET A 49 1.463 10.574 -10.169 1.00 1.12 H new ATOM 0 HG2 MET A 49 3.666 12.392 -9.249 1.00 1.03 H new ATOM 0 HG3 MET A 49 2.069 12.591 -8.556 1.00 1.03 H new ATOM 0 HE1 MET A 49 4.684 8.751 -7.996 1.00 0.75 H new ATOM 0 HE2 MET A 49 3.662 8.882 -9.447 1.00 0.75 H new ATOM 0 HE3 MET A 49 4.999 10.029 -9.193 1.00 0.75 H new ATOM 429 N ASP A 50 1.913 11.039 -13.664 1.00 1.11 N ATOM 430 CA ASP A 50 1.214 10.433 -14.811 1.00 1.13 C ATOM 431 C ASP A 50 2.068 9.424 -15.590 1.00 1.01 C ATOM 432 O ASP A 50 1.632 8.285 -15.811 1.00 1.03 O ATOM 433 CB ASP A 50 0.739 11.530 -15.777 1.00 1.34 C ATOM 434 CG ASP A 50 -0.758 11.819 -15.677 1.00 1.30 C ATOM 435 OD1 ASP A 50 -1.281 12.005 -14.550 1.00 1.50 O ATOM 436 OD2 ASP A 50 -1.419 11.834 -16.745 1.00 2.71 O ATOM 0 H ASP A 50 2.019 12.051 -13.741 1.00 1.11 H new ATOM 0 HA ASP A 50 0.369 9.886 -14.392 1.00 1.13 H new ATOM 0 HB2 ASP A 50 1.293 12.447 -15.575 1.00 1.34 H new ATOM 0 HB3 ASP A 50 0.977 11.233 -16.798 1.00 1.34 H new ATOM 441 N LYS A 51 3.284 9.811 -16.006 1.00 0.96 N ATOM 442 CA LYS A 51 4.167 8.902 -16.742 1.00 0.90 C ATOM 443 C LYS A 51 4.647 7.759 -15.861 1.00 0.83 C ATOM 444 O LYS A 51 4.636 6.623 -16.323 1.00 0.85 O ATOM 445 CB LYS A 51 5.308 9.656 -17.426 1.00 1.04 C ATOM 446 CG LYS A 51 6.169 10.477 -16.460 1.00 1.10 C ATOM 447 CD LYS A 51 7.124 11.397 -17.220 1.00 1.42 C ATOM 448 CE LYS A 51 8.095 10.625 -18.109 1.00 2.61 C ATOM 449 NZ LYS A 51 8.962 11.562 -18.853 1.00 3.01 N ATOM 0 H LYS A 51 3.673 10.740 -15.845 1.00 0.96 H new ATOM 0 HA LYS A 51 3.587 8.445 -17.543 1.00 0.90 H new ATOM 0 HB2 LYS A 51 5.944 8.940 -17.947 1.00 1.04 H new ATOM 0 HB3 LYS A 51 4.891 10.321 -18.182 1.00 1.04 H new ATOM 0 HG2 LYS A 51 5.526 11.071 -15.811 1.00 1.10 H new ATOM 0 HG3 LYS A 51 6.739 9.807 -15.817 1.00 1.10 H new ATOM 0 HD2 LYS A 51 6.546 12.089 -17.833 1.00 1.42 H new ATOM 0 HD3 LYS A 51 7.688 11.998 -16.507 1.00 1.42 H new ATOM 0 HE2 LYS A 51 8.706 9.959 -17.500 1.00 2.61 H new ATOM 0 HE3 LYS A 51 7.540 9.999 -18.808 1.00 2.61 H new ATOM 0 HZ1 LYS A 51 9.618 11.024 -19.454 1.00 3.01 H new ATOM 0 HZ2 LYS A 51 8.375 12.180 -19.448 1.00 3.01 H new ATOM 0 HZ3 LYS A 51 9.504 12.142 -18.181 1.00 3.01 H new ATOM 463 N ILE A 52 4.970 8.011 -14.589 1.00 0.80 N ATOM 464 CA ILE A 52 5.263 6.962 -13.605 1.00 0.79 C ATOM 465 C ILE A 52 4.092 5.971 -13.506 1.00 0.87 C ATOM 466 O ILE A 52 4.307 4.774 -13.658 1.00 0.90 O ATOM 467 CB ILE A 52 5.636 7.586 -12.240 1.00 0.79 C ATOM 468 CG1 ILE A 52 6.931 8.420 -12.396 1.00 0.76 C ATOM 469 CG2 ILE A 52 5.814 6.494 -11.164 1.00 0.81 C ATOM 470 CD1 ILE A 52 7.419 9.106 -11.124 1.00 0.88 C ATOM 0 H ILE A 52 5.036 8.955 -14.209 1.00 0.80 H new ATOM 0 HA ILE A 52 6.130 6.392 -13.938 1.00 0.79 H new ATOM 0 HB ILE A 52 4.826 8.238 -11.914 1.00 0.79 H new ATOM 0 HG12 ILE A 52 7.722 7.767 -12.764 1.00 0.76 H new ATOM 0 HG13 ILE A 52 6.765 9.181 -13.159 1.00 0.76 H new ATOM 0 HG21 ILE A 52 6.076 6.959 -10.214 1.00 0.81 H new ATOM 0 HG22 ILE A 52 4.883 5.939 -11.052 1.00 0.81 H new ATOM 0 HG23 ILE A 52 6.609 5.812 -11.466 1.00 0.81 H new ATOM 0 HD11 ILE A 52 8.331 9.664 -11.338 1.00 0.88 H new ATOM 0 HD12 ILE A 52 6.651 9.790 -10.762 1.00 0.88 H new ATOM 0 HD13 ILE A 52 7.624 8.355 -10.361 1.00 0.88 H new ATOM 482 N ALA A 53 2.849 6.426 -13.341 1.00 0.96 N ATOM 483 CA ALA A 53 1.693 5.533 -13.242 1.00 1.12 C ATOM 484 C ALA A 53 1.466 4.697 -14.515 1.00 1.16 C ATOM 485 O ALA A 53 1.103 3.523 -14.416 1.00 1.27 O ATOM 486 CB ALA A 53 0.457 6.383 -12.917 1.00 1.28 C ATOM 0 H ALA A 53 2.616 7.417 -13.273 1.00 0.96 H new ATOM 0 HA ALA A 53 1.883 4.811 -12.448 1.00 1.12 H new ATOM 0 HB1 ALA A 53 -0.418 5.738 -12.838 1.00 1.28 H new ATOM 0 HB2 ALA A 53 0.611 6.902 -11.971 1.00 1.28 H new ATOM 0 HB3 ALA A 53 0.299 7.113 -13.710 1.00 1.28 H new ATOM 492 N ASN A 54 1.746 5.256 -15.698 1.00 1.10 N ATOM 493 CA ASN A 54 1.718 4.524 -16.969 1.00 1.17 C ATOM 494 C ASN A 54 2.919 3.571 -17.149 1.00 1.11 C ATOM 495 O ASN A 54 2.804 2.545 -17.817 1.00 1.20 O ATOM 496 CB ASN A 54 1.584 5.529 -18.122 1.00 1.16 C ATOM 497 CG ASN A 54 0.141 5.959 -18.326 1.00 1.30 C ATOM 498 OD1 ASN A 54 -0.598 5.384 -19.114 1.00 1.49 O ATOM 499 ND2 ASN A 54 -0.330 6.928 -17.579 1.00 1.30 N ATOM 0 H ASN A 54 2.001 6.238 -15.801 1.00 1.10 H new ATOM 0 HA ASN A 54 0.848 3.867 -16.968 1.00 1.17 H new ATOM 0 HB2 ASN A 54 2.199 6.405 -17.915 1.00 1.16 H new ATOM 0 HB3 ASN A 54 1.964 5.082 -19.041 1.00 1.16 H new ATOM 0 HD21 ASN A 54 -1.310 7.201 -17.656 1.00 1.30 H new ATOM 0 HD22 ASN A 54 0.283 7.409 -16.921 1.00 1.30 H new ATOM 506 N GLU A 55 4.062 3.862 -16.528 1.00 1.03 N ATOM 507 CA GLU A 55 5.201 2.937 -16.427 1.00 1.05 C ATOM 508 C GLU A 55 4.956 1.785 -15.443 1.00 1.15 C ATOM 509 O GLU A 55 5.604 0.744 -15.569 1.00 1.26 O ATOM 510 CB GLU A 55 6.502 3.673 -16.052 1.00 0.87 C ATOM 511 CG GLU A 55 7.093 4.554 -17.164 1.00 0.84 C ATOM 512 CD GLU A 55 7.088 3.841 -18.523 1.00 1.21 C ATOM 513 OE1 GLU A 55 7.954 2.964 -18.747 1.00 2.02 O ATOM 514 OE2 GLU A 55 6.182 4.088 -19.355 1.00 2.15 O ATOM 0 H GLU A 55 4.230 4.759 -16.073 1.00 1.03 H new ATOM 0 HA GLU A 55 5.310 2.503 -17.421 1.00 1.05 H new ATOM 0 HB2 GLU A 55 6.310 4.296 -15.179 1.00 0.87 H new ATOM 0 HB3 GLU A 55 7.248 2.934 -15.759 1.00 0.87 H new ATOM 0 HG2 GLU A 55 6.521 5.479 -17.237 1.00 0.84 H new ATOM 0 HG3 GLU A 55 8.114 4.831 -16.903 1.00 0.84 H new ATOM 521 N LEU A 56 4.042 1.926 -14.477 1.00 1.15 N ATOM 522 CA LEU A 56 3.695 0.845 -13.550 1.00 1.22 C ATOM 523 C LEU A 56 2.487 0.014 -13.984 1.00 1.44 C ATOM 524 O LEU A 56 2.528 -1.211 -13.868 1.00 1.49 O ATOM 525 CB LEU A 56 3.530 1.397 -12.134 1.00 1.14 C ATOM 526 CG LEU A 56 4.763 2.148 -11.600 1.00 0.91 C ATOM 527 CD1 LEU A 56 4.584 2.323 -10.110 1.00 0.94 C ATOM 528 CD2 LEU A 56 6.108 1.466 -11.829 1.00 0.80 C ATOM 0 H LEU A 56 3.524 2.790 -14.317 1.00 1.15 H new ATOM 0 HA LEU A 56 4.530 0.144 -13.563 1.00 1.22 H new ATOM 0 HB2 LEU A 56 2.673 2.070 -12.117 1.00 1.14 H new ATOM 0 HB3 LEU A 56 3.301 0.572 -11.459 1.00 1.14 H new ATOM 0 HG LEU A 56 4.806 3.083 -12.158 1.00 0.91 H new ATOM 0 HD11 LEU A 56 5.444 2.853 -9.700 1.00 0.94 H new ATOM 0 HD12 LEU A 56 3.678 2.897 -9.917 1.00 0.94 H new ATOM 0 HD13 LEU A 56 4.501 1.345 -9.636 1.00 0.94 H new ATOM 0 HD21 LEU A 56 6.904 2.083 -11.413 1.00 0.80 H new ATOM 0 HD22 LEU A 56 6.110 0.492 -11.340 1.00 0.80 H new ATOM 0 HD23 LEU A 56 6.272 1.335 -12.899 1.00 0.80 H new ATOM 540 N GLU A 57 1.438 0.632 -14.532 1.00 1.57 N ATOM 541 CA GLU A 57 0.240 -0.107 -14.970 1.00 1.77 C ATOM 542 C GLU A 57 0.527 -1.061 -16.145 1.00 1.85 C ATOM 543 O GLU A 57 -0.204 -2.027 -16.365 1.00 2.00 O ATOM 544 CB GLU A 57 -0.924 0.859 -15.272 1.00 1.86 C ATOM 545 CG GLU A 57 -0.982 1.391 -16.710 1.00 1.81 C ATOM 546 CD GLU A 57 -2.257 2.189 -17.007 1.00 2.52 C ATOM 547 OE1 GLU A 57 -3.061 2.485 -16.088 1.00 3.73 O ATOM 548 OE2 GLU A 57 -2.493 2.497 -18.199 1.00 2.67 O ATOM 0 H GLU A 57 1.389 1.639 -14.685 1.00 1.57 H new ATOM 0 HA GLU A 57 -0.066 -0.744 -14.141 1.00 1.77 H new ATOM 0 HB2 GLU A 57 -1.862 0.350 -15.053 1.00 1.86 H new ATOM 0 HB3 GLU A 57 -0.855 1.708 -14.591 1.00 1.86 H new ATOM 0 HG2 GLU A 57 -0.114 2.025 -16.892 1.00 1.81 H new ATOM 0 HG3 GLU A 57 -0.916 0.553 -17.404 1.00 1.81 H new ATOM 555 N THR A 58 1.600 -0.806 -16.900 1.00 1.77 N ATOM 556 CA THR A 58 2.062 -1.670 -17.993 1.00 1.87 C ATOM 557 C THR A 58 2.775 -2.935 -17.502 1.00 1.85 C ATOM 558 O THR A 58 2.745 -3.957 -18.189 1.00 2.09 O ATOM 559 CB THR A 58 2.932 -0.847 -18.957 1.00 1.85 C ATOM 560 OG1 THR A 58 3.056 -1.469 -20.214 1.00 2.05 O ATOM 561 CG2 THR A 58 4.340 -0.585 -18.431 1.00 1.64 C ATOM 0 H THR A 58 2.183 0.021 -16.767 1.00 1.77 H new ATOM 0 HA THR A 58 1.186 -2.035 -18.529 1.00 1.87 H new ATOM 0 HB THR A 58 2.407 0.104 -19.050 1.00 1.85 H new ATOM 0 HG1 THR A 58 3.614 -0.916 -20.799 1.00 2.05 H new ATOM 0 HG21 THR A 58 4.898 0.000 -19.162 1.00 1.64 H new ATOM 0 HG22 THR A 58 4.281 -0.034 -17.493 1.00 1.64 H new ATOM 0 HG23 THR A 58 4.848 -1.535 -18.263 1.00 1.64 H new ATOM 569 N GLY A 59 3.379 -2.898 -16.309 1.00 1.63 N ATOM 570 CA GLY A 59 4.094 -4.023 -15.705 1.00 1.55 C ATOM 571 C GLY A 59 3.172 -5.036 -15.020 1.00 1.50 C ATOM 572 O GLY A 59 2.019 -4.743 -14.702 1.00 1.56 O ATOM 0 H GLY A 59 3.383 -2.063 -15.724 1.00 1.63 H new ATOM 0 HA2 GLY A 59 4.671 -4.533 -16.476 1.00 1.55 H new ATOM 0 HA3 GLY A 59 4.807 -3.640 -14.974 1.00 1.55 H new ATOM 576 N ASN A 60 3.703 -6.224 -14.729 1.00 1.44 N ATOM 577 CA ASN A 60 3.067 -7.256 -13.889 1.00 1.38 C ATOM 578 C ASN A 60 3.293 -7.023 -12.383 1.00 1.18 C ATOM 579 O ASN A 60 3.475 -7.958 -11.602 1.00 1.08 O ATOM 580 CB ASN A 60 3.437 -8.666 -14.379 1.00 1.51 C ATOM 581 CG ASN A 60 4.816 -8.789 -14.980 1.00 1.58 C ATOM 582 OD1 ASN A 60 4.921 -9.220 -16.207 1.00 3.34 O flip ATOM 583 ND2 ASN A 60 5.823 -8.465 -14.365 1.00 1.68 N flip ATOM 0 H ASN A 60 4.617 -6.510 -15.080 1.00 1.44 H new ATOM 0 HA ASN A 60 1.987 -7.169 -14.007 1.00 1.38 H new ATOM 0 HB2 ASN A 60 3.359 -9.358 -13.541 1.00 1.51 H new ATOM 0 HB3 ASN A 60 2.704 -8.981 -15.121 1.00 1.51 H new ATOM 0 HD21 ASN A 60 5.748 -8.127 -13.405 1.00 1.68 H new ATOM 0 HD22 ASN A 60 6.737 -8.533 -14.812 1.00 1.68 H new ATOM 590 N TYR A 61 3.325 -5.757 -11.973 1.00 1.15 N ATOM 591 CA TYR A 61 3.744 -5.357 -10.629 1.00 0.97 C ATOM 592 C TYR A 61 2.688 -5.604 -9.541 1.00 1.00 C ATOM 593 O TYR A 61 2.945 -5.328 -8.371 1.00 1.00 O ATOM 594 CB TYR A 61 4.319 -3.933 -10.625 1.00 0.93 C ATOM 595 CG TYR A 61 5.355 -3.618 -11.699 1.00 0.95 C ATOM 596 CD1 TYR A 61 6.335 -4.562 -12.076 1.00 1.97 C ATOM 597 CD2 TYR A 61 5.361 -2.343 -12.293 1.00 2.09 C ATOM 598 CE1 TYR A 61 7.279 -4.245 -13.072 1.00 1.97 C ATOM 599 CE2 TYR A 61 6.334 -2.000 -13.252 1.00 2.17 C ATOM 600 CZ TYR A 61 7.284 -2.963 -13.664 1.00 1.10 C ATOM 601 OH TYR A 61 8.217 -2.673 -14.610 1.00 1.24 O ATOM 0 H TYR A 61 3.059 -4.972 -12.568 1.00 1.15 H new ATOM 0 HA TYR A 61 4.557 -6.026 -10.347 1.00 0.97 H new ATOM 0 HB2 TYR A 61 3.492 -3.230 -10.731 1.00 0.93 H new ATOM 0 HB3 TYR A 61 4.771 -3.749 -9.650 1.00 0.93 H new ATOM 0 HD1 TYR A 61 6.361 -5.531 -11.599 1.00 1.97 H new ATOM 0 HD2 TYR A 61 4.611 -1.619 -12.011 1.00 2.09 H new ATOM 0 HE1 TYR A 61 8.001 -4.985 -13.384 1.00 1.97 H new ATOM 0 HE2 TYR A 61 6.354 -1.005 -13.671 1.00 2.17 H new ATOM 0 HH TYR A 61 8.090 -1.753 -14.923 1.00 1.24 H new ATOM 611 N ALA A 62 1.521 -6.172 -9.877 1.00 1.14 N ATOM 612 CA ALA A 62 0.589 -6.707 -8.879 1.00 1.22 C ATOM 613 C ALA A 62 1.221 -7.887 -8.106 1.00 1.06 C ATOM 614 O ALA A 62 0.821 -8.158 -6.969 1.00 1.15 O ATOM 615 CB ALA A 62 -0.711 -7.124 -9.575 1.00 1.49 C ATOM 0 H ALA A 62 1.200 -6.272 -10.840 1.00 1.14 H new ATOM 0 HA ALA A 62 0.363 -5.932 -8.146 1.00 1.22 H new ATOM 0 HB1 ALA A 62 -1.407 -7.522 -8.837 1.00 1.49 H new ATOM 0 HB2 ALA A 62 -1.157 -6.257 -10.063 1.00 1.49 H new ATOM 0 HB3 ALA A 62 -0.495 -7.889 -10.321 1.00 1.49 H new ATOM 621 N GLY A 63 2.214 -8.571 -8.697 1.00 0.91 N ATOM 622 CA GLY A 63 3.066 -9.542 -7.999 1.00 0.77 C ATOM 623 C GLY A 63 4.486 -9.010 -7.759 1.00 0.63 C ATOM 624 O GLY A 63 4.823 -8.543 -6.670 1.00 0.55 O ATOM 0 H GLY A 63 2.449 -8.463 -9.684 1.00 0.91 H new ATOM 0 HA2 GLY A 63 2.611 -9.799 -7.042 1.00 0.77 H new ATOM 0 HA3 GLY A 63 3.119 -10.461 -8.583 1.00 0.77 H new ATOM 628 N ASN A 64 5.330 -9.120 -8.788 1.00 0.73 N ATOM 629 CA ASN A 64 6.778 -8.890 -8.713 1.00 0.69 C ATOM 630 C ASN A 64 7.234 -7.423 -8.575 1.00 0.60 C ATOM 631 O ASN A 64 6.568 -6.490 -9.021 1.00 0.59 O ATOM 632 CB ASN A 64 7.526 -9.677 -9.806 1.00 0.90 C ATOM 633 CG ASN A 64 7.524 -8.998 -11.147 1.00 1.03 C ATOM 634 OD1 ASN A 64 6.408 -8.465 -11.546 1.00 1.57 O flip ATOM 635 ND2 ASN A 64 8.511 -8.971 -11.871 1.00 1.27 N flip ATOM 0 H ASN A 64 5.018 -9.379 -9.724 1.00 0.73 H new ATOM 0 HA ASN A 64 7.073 -9.298 -7.747 1.00 0.69 H new ATOM 0 HB2 ASN A 64 8.557 -9.832 -9.489 1.00 0.90 H new ATOM 0 HB3 ASN A 64 7.072 -10.663 -9.907 1.00 0.90 H new ATOM 0 HD21 ASN A 64 9.386 -9.390 -11.556 1.00 1.27 H new ATOM 0 HD22 ASN A 64 8.458 -8.530 -12.789 1.00 1.27 H new ATOM 642 N LYS A 65 8.422 -7.240 -7.983 1.00 0.61 N ATOM 643 CA LYS A 65 9.096 -5.940 -7.804 1.00 0.59 C ATOM 644 C LYS A 65 9.402 -5.248 -9.142 1.00 0.69 C ATOM 645 O LYS A 65 9.664 -5.900 -10.157 1.00 0.79 O ATOM 646 CB LYS A 65 10.307 -6.141 -6.866 1.00 0.71 C ATOM 647 CG LYS A 65 11.540 -5.234 -7.036 1.00 1.14 C ATOM 648 CD LYS A 65 12.565 -5.579 -5.938 1.00 1.55 C ATOM 649 CE LYS A 65 13.768 -4.629 -5.859 1.00 1.48 C ATOM 650 NZ LYS A 65 14.624 -4.677 -7.066 1.00 2.43 N ATOM 0 H LYS A 65 8.961 -8.017 -7.601 1.00 0.61 H new ATOM 0 HA LYS A 65 8.429 -5.229 -7.316 1.00 0.59 H new ATOM 0 HB2 LYS A 65 9.953 -6.026 -5.842 1.00 0.71 H new ATOM 0 HB3 LYS A 65 10.640 -7.173 -6.975 1.00 0.71 H new ATOM 0 HG2 LYS A 65 11.981 -5.377 -8.022 1.00 1.14 H new ATOM 0 HG3 LYS A 65 11.250 -4.186 -6.966 1.00 1.14 H new ATOM 0 HD2 LYS A 65 12.057 -5.580 -4.974 1.00 1.55 H new ATOM 0 HD3 LYS A 65 12.930 -6.592 -6.107 1.00 1.55 H new ATOM 0 HE2 LYS A 65 13.410 -3.610 -5.715 1.00 1.48 H new ATOM 0 HE3 LYS A 65 14.368 -4.883 -4.985 1.00 1.48 H new ATOM 0 HZ1 LYS A 65 15.419 -4.015 -6.955 1.00 2.43 H new ATOM 0 HZ2 LYS A 65 14.992 -5.642 -7.193 1.00 2.43 H new ATOM 0 HZ3 LYS A 65 14.064 -4.408 -7.900 1.00 2.43 H new ATOM 664 N VAL A 66 9.346 -3.913 -9.136 1.00 0.69 N ATOM 665 CA VAL A 66 9.443 -3.059 -10.339 1.00 0.76 C ATOM 666 C VAL A 66 10.751 -3.294 -11.101 1.00 1.02 C ATOM 667 O VAL A 66 11.825 -3.304 -10.503 1.00 1.26 O ATOM 668 CB VAL A 66 9.275 -1.572 -9.965 1.00 0.72 C ATOM 669 CG1 VAL A 66 9.642 -0.601 -11.093 1.00 0.75 C ATOM 670 CG2 VAL A 66 7.813 -1.288 -9.620 1.00 0.60 C ATOM 0 H VAL A 66 9.229 -3.376 -8.277 1.00 0.69 H new ATOM 0 HA VAL A 66 8.629 -3.338 -11.008 1.00 0.76 H new ATOM 0 HB VAL A 66 9.952 -1.411 -9.126 1.00 0.72 H new ATOM 0 HG11 VAL A 66 9.497 0.424 -10.752 1.00 0.75 H new ATOM 0 HG12 VAL A 66 10.685 -0.746 -11.373 1.00 0.75 H new ATOM 0 HG13 VAL A 66 9.005 -0.789 -11.957 1.00 0.75 H new ATOM 0 HG21 VAL A 66 7.699 -0.237 -9.356 1.00 0.60 H new ATOM 0 HG22 VAL A 66 7.185 -1.516 -10.481 1.00 0.60 H new ATOM 0 HG23 VAL A 66 7.511 -1.908 -8.776 1.00 0.60 H new ATOM 680 N GLY A 67 10.670 -3.447 -12.428 1.00 1.10 N ATOM 681 CA GLY A 67 11.829 -3.777 -13.271 1.00 1.42 C ATOM 682 C GLY A 67 12.928 -2.704 -13.269 1.00 1.27 C ATOM 683 O GLY A 67 14.091 -3.014 -12.992 1.00 1.51 O ATOM 0 H GLY A 67 9.799 -3.346 -12.949 1.00 1.10 H new ATOM 0 HA2 GLY A 67 12.256 -4.720 -12.931 1.00 1.42 H new ATOM 0 HA3 GLY A 67 11.488 -3.932 -14.295 1.00 1.42 H new ATOM 687 N VAL A 68 12.544 -1.454 -13.554 1.00 1.04 N ATOM 688 CA VAL A 68 13.372 -0.233 -13.546 1.00 1.03 C ATOM 689 C VAL A 68 12.493 0.970 -13.175 1.00 0.88 C ATOM 690 O VAL A 68 11.402 1.127 -13.733 1.00 0.89 O ATOM 691 CB VAL A 68 14.022 0.015 -14.932 1.00 1.26 C ATOM 692 CG1 VAL A 68 14.796 1.338 -15.000 1.00 1.56 C ATOM 693 CG2 VAL A 68 15.006 -1.096 -15.316 1.00 2.00 C ATOM 0 H VAL A 68 11.579 -1.250 -13.815 1.00 1.04 H new ATOM 0 HA VAL A 68 14.168 -0.362 -12.813 1.00 1.03 H new ATOM 0 HB VAL A 68 13.181 0.041 -15.625 1.00 1.26 H new ATOM 0 HG11 VAL A 68 15.228 1.456 -15.994 1.00 1.56 H new ATOM 0 HG12 VAL A 68 14.118 2.167 -14.798 1.00 1.56 H new ATOM 0 HG13 VAL A 68 15.593 1.332 -14.256 1.00 1.56 H new ATOM 0 HG21 VAL A 68 15.436 -0.879 -16.294 1.00 2.00 H new ATOM 0 HG22 VAL A 68 15.802 -1.150 -14.573 1.00 2.00 H new ATOM 0 HG23 VAL A 68 14.481 -2.050 -15.354 1.00 2.00 H new ATOM 703 N LEU A 69 12.969 1.831 -12.272 1.00 0.87 N ATOM 704 CA LEU A 69 12.389 3.138 -11.945 1.00 0.79 C ATOM 705 C LEU A 69 12.892 4.228 -12.915 1.00 0.80 C ATOM 706 O LEU A 69 14.068 4.218 -13.295 1.00 0.92 O ATOM 707 CB LEU A 69 12.747 3.512 -10.494 1.00 0.93 C ATOM 708 CG LEU A 69 12.123 2.601 -9.423 1.00 0.97 C ATOM 709 CD1 LEU A 69 12.649 2.982 -8.038 1.00 1.19 C ATOM 710 CD2 LEU A 69 10.600 2.716 -9.403 1.00 0.88 C ATOM 0 H LEU A 69 13.805 1.628 -11.725 1.00 0.87 H new ATOM 0 HA LEU A 69 11.306 3.072 -12.048 1.00 0.79 H new ATOM 0 HB2 LEU A 69 13.831 3.489 -10.384 1.00 0.93 H new ATOM 0 HB3 LEU A 69 12.429 4.538 -10.309 1.00 0.93 H new ATOM 0 HG LEU A 69 12.400 1.576 -9.671 1.00 0.97 H new ATOM 0 HD11 LEU A 69 12.201 2.331 -7.287 1.00 1.19 H new ATOM 0 HD12 LEU A 69 13.733 2.869 -8.017 1.00 1.19 H new ATOM 0 HD13 LEU A 69 12.388 4.018 -7.822 1.00 1.19 H new ATOM 0 HD21 LEU A 69 10.196 2.058 -8.634 1.00 0.88 H new ATOM 0 HD22 LEU A 69 10.316 3.746 -9.186 1.00 0.88 H new ATOM 0 HD23 LEU A 69 10.200 2.427 -10.375 1.00 0.88 H new ATOM 722 N PRO A 70 12.048 5.209 -13.288 1.00 0.71 N ATOM 723 CA PRO A 70 12.462 6.307 -14.156 1.00 0.74 C ATOM 724 C PRO A 70 13.370 7.298 -13.411 1.00 0.86 C ATOM 725 O PRO A 70 13.288 7.428 -12.189 1.00 0.87 O ATOM 726 CB PRO A 70 11.156 6.967 -14.595 1.00 0.67 C ATOM 727 CG PRO A 70 10.214 6.746 -13.429 1.00 0.67 C ATOM 728 CD PRO A 70 10.679 5.416 -12.825 1.00 0.64 C ATOM 0 HA PRO A 70 13.049 5.959 -15.006 1.00 0.74 H new ATOM 0 HB2 PRO A 70 11.296 8.029 -14.798 1.00 0.67 H new ATOM 0 HB3 PRO A 70 10.770 6.516 -15.509 1.00 0.67 H new ATOM 0 HG2 PRO A 70 10.278 7.558 -12.704 1.00 0.67 H new ATOM 0 HG3 PRO A 70 9.176 6.694 -13.758 1.00 0.67 H new ATOM 0 HD2 PRO A 70 10.638 5.449 -11.736 1.00 0.64 H new ATOM 0 HD3 PRO A 70 10.033 4.598 -13.144 1.00 0.64 H new ATOM 736 N ALA A 71 14.171 8.080 -14.137 1.00 0.96 N ATOM 737 CA ALA A 71 14.961 9.172 -13.550 1.00 1.05 C ATOM 738 C ALA A 71 14.077 10.294 -12.964 1.00 1.00 C ATOM 739 O ALA A 71 14.486 11.009 -12.048 1.00 1.09 O ATOM 740 CB ALA A 71 15.910 9.710 -14.623 1.00 1.20 C ATOM 0 H ALA A 71 14.292 7.978 -15.145 1.00 0.96 H new ATOM 0 HA ALA A 71 15.533 8.780 -12.709 1.00 1.05 H new ATOM 0 HB1 ALA A 71 16.506 10.522 -14.207 1.00 1.20 H new ATOM 0 HB2 ALA A 71 16.570 8.910 -14.959 1.00 1.20 H new ATOM 0 HB3 ALA A 71 15.331 10.081 -15.468 1.00 1.20 H new ATOM 746 N ASN A 72 12.836 10.418 -13.451 1.00 0.93 N ATOM 747 CA ASN A 72 11.807 11.307 -12.907 1.00 0.92 C ATOM 748 C ASN A 72 11.061 10.755 -11.667 1.00 0.87 C ATOM 749 O ASN A 72 10.160 11.422 -11.161 1.00 0.88 O ATOM 750 CB ASN A 72 10.866 11.759 -14.040 1.00 0.93 C ATOM 751 CG ASN A 72 10.259 10.631 -14.853 1.00 0.97 C ATOM 752 OD1 ASN A 72 10.752 10.271 -15.911 1.00 1.52 O ATOM 753 ND2 ASN A 72 9.201 10.019 -14.376 1.00 1.46 N ATOM 0 H ASN A 72 12.513 9.886 -14.259 1.00 0.93 H new ATOM 0 HA ASN A 72 12.317 12.183 -12.507 1.00 0.92 H new ATOM 0 HB2 ASN A 72 10.059 12.351 -13.608 1.00 0.93 H new ATOM 0 HB3 ASN A 72 11.419 12.415 -14.712 1.00 0.93 H new ATOM 0 HD21 ASN A 72 8.788 9.240 -14.889 1.00 1.46 H new ATOM 0 HD22 ASN A 72 8.792 10.322 -13.492 1.00 1.46 H new ATOM 760 N ALA A 73 11.414 9.566 -11.164 1.00 0.85 N ATOM 761 CA ALA A 73 10.934 9.018 -9.885 1.00 0.85 C ATOM 762 C ALA A 73 11.937 9.187 -8.727 1.00 0.93 C ATOM 763 O ALA A 73 13.145 9.341 -8.935 1.00 0.95 O ATOM 764 CB ALA A 73 10.583 7.533 -10.065 1.00 0.79 C ATOM 0 H ALA A 73 12.059 8.940 -11.647 1.00 0.85 H new ATOM 0 HA ALA A 73 10.049 9.591 -9.607 1.00 0.85 H new ATOM 0 HB1 ALA A 73 10.227 7.126 -9.118 1.00 0.79 H new ATOM 0 HB2 ALA A 73 9.803 7.432 -10.819 1.00 0.79 H new ATOM 0 HB3 ALA A 73 11.470 6.986 -10.385 1.00 0.79 H new ATOM 770 N LYS A 74 11.414 9.112 -7.496 1.00 0.97 N ATOM 771 CA LYS A 74 12.170 8.991 -6.238 1.00 1.09 C ATOM 772 C LYS A 74 11.369 8.236 -5.174 1.00 0.94 C ATOM 773 O LYS A 74 10.176 7.970 -5.335 1.00 0.90 O ATOM 774 CB LYS A 74 12.634 10.363 -5.732 1.00 1.44 C ATOM 775 CG LYS A 74 11.499 11.155 -5.072 1.00 1.19 C ATOM 776 CD LYS A 74 11.972 12.586 -4.812 1.00 1.67 C ATOM 777 CE LYS A 74 10.861 13.465 -4.244 1.00 1.65 C ATOM 778 NZ LYS A 74 11.414 14.787 -3.885 1.00 2.17 N ATOM 0 H LYS A 74 10.406 9.135 -7.341 1.00 0.97 H new ATOM 0 HA LYS A 74 13.064 8.403 -6.446 1.00 1.09 H new ATOM 0 HB2 LYS A 74 13.444 10.228 -5.016 1.00 1.44 H new ATOM 0 HB3 LYS A 74 13.038 10.938 -6.566 1.00 1.44 H new ATOM 0 HG2 LYS A 74 10.620 11.161 -5.717 1.00 1.19 H new ATOM 0 HG3 LYS A 74 11.204 10.681 -4.136 1.00 1.19 H new ATOM 0 HD2 LYS A 74 12.811 12.569 -4.117 1.00 1.67 H new ATOM 0 HD3 LYS A 74 12.338 13.021 -5.742 1.00 1.67 H new ATOM 0 HE2 LYS A 74 10.063 13.580 -4.977 1.00 1.65 H new ATOM 0 HE3 LYS A 74 10.422 12.992 -3.366 1.00 1.65 H new ATOM 0 HZ1 LYS A 74 10.657 15.386 -3.498 1.00 2.17 H new ATOM 0 HZ2 LYS A 74 12.161 14.669 -3.171 1.00 2.17 H new ATOM 0 HZ3 LYS A 74 11.813 15.238 -4.733 1.00 2.17 H new ATOM 792 N GLU A 75 12.039 7.891 -4.081 1.00 0.93 N ATOM 793 CA GLU A 75 11.536 6.970 -3.059 1.00 0.90 C ATOM 794 C GLU A 75 11.549 7.626 -1.664 1.00 0.86 C ATOM 795 O GLU A 75 12.532 8.279 -1.295 1.00 0.97 O ATOM 796 CB GLU A 75 12.401 5.697 -3.125 1.00 0.97 C ATOM 797 CG GLU A 75 12.431 5.033 -4.521 1.00 0.88 C ATOM 798 CD GLU A 75 13.726 4.244 -4.735 1.00 1.14 C ATOM 799 OE1 GLU A 75 13.782 3.055 -4.335 1.00 1.91 O ATOM 800 OE2 GLU A 75 14.712 4.812 -5.279 1.00 2.20 O ATOM 0 H GLU A 75 12.970 8.251 -3.872 1.00 0.93 H new ATOM 0 HA GLU A 75 10.494 6.710 -3.246 1.00 0.90 H new ATOM 0 HB2 GLU A 75 13.420 5.946 -2.830 1.00 0.97 H new ATOM 0 HB3 GLU A 75 12.026 4.976 -2.398 1.00 0.97 H new ATOM 0 HG2 GLU A 75 11.575 4.367 -4.627 1.00 0.88 H new ATOM 0 HG3 GLU A 75 12.337 5.798 -5.292 1.00 0.88 H new ATOM 807 N ILE A 76 10.470 7.464 -0.886 1.00 0.74 N ATOM 808 CA ILE A 76 10.278 8.102 0.434 1.00 0.64 C ATOM 809 C ILE A 76 9.736 7.122 1.494 1.00 0.54 C ATOM 810 O ILE A 76 9.026 6.167 1.168 1.00 0.64 O ATOM 811 CB ILE A 76 9.373 9.361 0.333 1.00 0.70 C ATOM 812 CG1 ILE A 76 8.004 9.046 -0.316 1.00 0.80 C ATOM 813 CG2 ILE A 76 10.079 10.531 -0.388 1.00 0.80 C ATOM 814 CD1 ILE A 76 7.028 10.224 -0.259 1.00 0.83 C ATOM 0 H ILE A 76 9.685 6.873 -1.159 1.00 0.74 H new ATOM 0 HA ILE A 76 11.267 8.418 0.766 1.00 0.64 H new ATOM 0 HB ILE A 76 9.180 9.681 1.357 1.00 0.70 H new ATOM 0 HG12 ILE A 76 8.159 8.760 -1.356 1.00 0.80 H new ATOM 0 HG13 ILE A 76 7.559 8.188 0.187 1.00 0.80 H new ATOM 0 HG21 ILE A 76 9.407 11.388 -0.434 1.00 0.80 H new ATOM 0 HG22 ILE A 76 10.980 10.805 0.160 1.00 0.80 H new ATOM 0 HG23 ILE A 76 10.348 10.226 -1.399 1.00 0.80 H new ATOM 0 HD11 ILE A 76 6.087 9.940 -0.730 1.00 0.83 H new ATOM 0 HD12 ILE A 76 6.846 10.496 0.781 1.00 0.83 H new ATOM 0 HD13 ILE A 76 7.455 11.076 -0.787 1.00 0.83 H new ATOM 826 N ALA A 77 10.054 7.370 2.767 1.00 0.53 N ATOM 827 CA ALA A 77 9.621 6.575 3.919 1.00 0.55 C ATOM 828 C ALA A 77 8.925 7.428 5.021 1.00 0.52 C ATOM 829 O ALA A 77 8.755 8.636 4.868 1.00 0.75 O ATOM 830 CB ALA A 77 10.824 5.770 4.431 1.00 0.62 C ATOM 0 H ALA A 77 10.642 8.160 3.034 1.00 0.53 H new ATOM 0 HA ALA A 77 8.843 5.879 3.606 1.00 0.55 H new ATOM 0 HB1 ALA A 77 10.522 5.171 5.290 1.00 0.62 H new ATOM 0 HB2 ALA A 77 11.186 5.114 3.640 1.00 0.62 H new ATOM 0 HB3 ALA A 77 11.620 6.454 4.727 1.00 0.62 H new ATOM 836 N GLY A 78 8.506 6.802 6.121 1.00 0.43 N ATOM 837 CA GLY A 78 7.890 7.488 7.273 1.00 0.45 C ATOM 838 C GLY A 78 6.395 7.769 7.138 1.00 0.50 C ATOM 839 O GLY A 78 5.828 8.506 7.953 1.00 0.62 O ATOM 0 H GLY A 78 8.583 5.793 6.245 1.00 0.43 H new ATOM 0 HA2 GLY A 78 8.051 6.882 8.165 1.00 0.45 H new ATOM 0 HA3 GLY A 78 8.408 8.434 7.432 1.00 0.45 H new ATOM 843 N VAL A 79 5.734 7.197 6.130 1.00 0.50 N ATOM 844 CA VAL A 79 4.292 7.293 5.862 1.00 0.52 C ATOM 845 C VAL A 79 3.583 6.020 6.339 1.00 0.41 C ATOM 846 O VAL A 79 4.160 4.935 6.268 1.00 0.36 O ATOM 847 CB VAL A 79 4.047 7.610 4.377 1.00 0.62 C ATOM 848 CG1 VAL A 79 4.766 6.676 3.401 1.00 0.70 C ATOM 849 CG2 VAL A 79 2.563 7.661 4.027 1.00 0.64 C ATOM 0 H VAL A 79 6.214 6.622 5.438 1.00 0.50 H new ATOM 0 HA VAL A 79 3.861 8.119 6.428 1.00 0.52 H new ATOM 0 HB VAL A 79 4.482 8.602 4.253 1.00 0.62 H new ATOM 0 HG11 VAL A 79 4.537 6.973 2.378 1.00 0.70 H new ATOM 0 HG12 VAL A 79 5.842 6.737 3.564 1.00 0.70 H new ATOM 0 HG13 VAL A 79 4.432 5.651 3.565 1.00 0.70 H new ATOM 0 HG21 VAL A 79 2.447 7.888 2.967 1.00 0.64 H new ATOM 0 HG22 VAL A 79 2.105 6.696 4.244 1.00 0.64 H new ATOM 0 HG23 VAL A 79 2.076 8.435 4.620 1.00 0.64 H new ATOM 859 N MET A 80 2.358 6.159 6.848 1.00 0.43 N ATOM 860 CA MET A 80 1.540 5.072 7.399 1.00 0.39 C ATOM 861 C MET A 80 0.463 4.605 6.417 1.00 0.37 C ATOM 862 O MET A 80 -0.237 5.415 5.809 1.00 0.40 O ATOM 863 CB MET A 80 0.895 5.544 8.712 1.00 0.45 C ATOM 864 CG MET A 80 -0.062 4.522 9.343 1.00 0.49 C ATOM 865 SD MET A 80 0.685 2.937 9.795 1.00 0.58 S ATOM 866 CE MET A 80 0.400 2.984 11.578 1.00 0.49 C ATOM 0 H MET A 80 1.889 7.064 6.890 1.00 0.43 H new ATOM 0 HA MET A 80 2.191 4.218 7.586 1.00 0.39 H new ATOM 0 HB2 MET A 80 1.683 5.778 9.428 1.00 0.45 H new ATOM 0 HB3 MET A 80 0.350 6.469 8.525 1.00 0.45 H new ATOM 0 HG2 MET A 80 -0.502 4.965 10.236 1.00 0.49 H new ATOM 0 HG3 MET A 80 -0.878 4.334 8.645 1.00 0.49 H new ATOM 0 HE1 MET A 80 0.935 2.162 12.054 1.00 0.49 H new ATOM 0 HE2 MET A 80 0.760 3.931 11.979 1.00 0.49 H new ATOM 0 HE3 MET A 80 -0.667 2.887 11.779 1.00 0.49 H new ATOM 876 N PHE A 81 0.264 3.292 6.336 1.00 0.33 N ATOM 877 CA PHE A 81 -0.807 2.659 5.563 1.00 0.32 C ATOM 878 C PHE A 81 -1.394 1.451 6.306 1.00 0.31 C ATOM 879 O PHE A 81 -0.717 0.757 7.072 1.00 0.34 O ATOM 880 CB PHE A 81 -0.328 2.306 4.139 1.00 0.33 C ATOM 881 CG PHE A 81 1.159 2.041 4.064 1.00 0.35 C ATOM 882 CD1 PHE A 81 1.602 0.786 4.504 1.00 1.56 C ATOM 883 CD2 PHE A 81 2.097 3.056 3.746 1.00 1.57 C ATOM 884 CE1 PHE A 81 2.967 0.542 4.660 1.00 1.60 C ATOM 885 CE2 PHE A 81 3.468 2.785 3.894 1.00 1.61 C ATOM 886 CZ PHE A 81 3.902 1.534 4.360 1.00 0.63 C ATOM 0 H PHE A 81 0.858 2.618 6.819 1.00 0.33 H new ATOM 0 HA PHE A 81 -1.619 3.378 5.453 1.00 0.32 H new ATOM 0 HB2 PHE A 81 -0.866 1.425 3.788 1.00 0.33 H new ATOM 0 HB3 PHE A 81 -0.580 3.124 3.464 1.00 0.33 H new ATOM 0 HD1 PHE A 81 0.886 0.007 4.722 1.00 1.56 H new ATOM 0 HD2 PHE A 81 1.763 4.022 3.396 1.00 1.57 H new ATOM 0 HE1 PHE A 81 3.302 -0.421 5.015 1.00 1.60 H new ATOM 0 HE2 PHE A 81 4.194 3.546 3.647 1.00 1.61 H new ATOM 0 HZ PHE A 81 4.957 1.340 4.486 1.00 0.63 H new ATOM 896 N VAL A 82 -2.680 1.207 6.055 1.00 0.30 N ATOM 897 CA VAL A 82 -3.506 0.137 6.635 1.00 0.29 C ATOM 898 C VAL A 82 -4.041 -0.760 5.508 1.00 0.25 C ATOM 899 O VAL A 82 -4.279 -0.282 4.394 1.00 0.28 O ATOM 900 CB VAL A 82 -4.650 0.706 7.505 1.00 0.33 C ATOM 901 CG1 VAL A 82 -4.155 1.786 8.480 1.00 0.43 C ATOM 902 CG2 VAL A 82 -5.784 1.336 6.696 1.00 0.33 C ATOM 0 H VAL A 82 -3.210 1.784 5.402 1.00 0.30 H new ATOM 0 HA VAL A 82 -2.886 -0.465 7.300 1.00 0.29 H new ATOM 0 HB VAL A 82 -5.025 -0.167 8.040 1.00 0.33 H new ATOM 0 HG11 VAL A 82 -4.994 2.156 9.070 1.00 0.43 H new ATOM 0 HG12 VAL A 82 -3.404 1.359 9.145 1.00 0.43 H new ATOM 0 HG13 VAL A 82 -3.715 2.610 7.918 1.00 0.43 H new ATOM 0 HG21 VAL A 82 -6.549 1.713 7.375 1.00 0.33 H new ATOM 0 HG22 VAL A 82 -5.391 2.159 6.099 1.00 0.33 H new ATOM 0 HG23 VAL A 82 -6.221 0.586 6.037 1.00 0.33 H new ATOM 912 N TRP A 83 -4.258 -2.046 5.775 1.00 0.22 N ATOM 913 CA TRP A 83 -4.938 -2.967 4.856 1.00 0.22 C ATOM 914 C TRP A 83 -6.438 -3.080 5.153 1.00 0.24 C ATOM 915 O TRP A 83 -6.893 -3.011 6.298 1.00 0.29 O ATOM 916 CB TRP A 83 -4.283 -4.351 4.876 1.00 0.27 C ATOM 917 CG TRP A 83 -3.155 -4.573 3.911 1.00 0.34 C ATOM 918 CD1 TRP A 83 -2.017 -3.845 3.808 1.00 0.46 C ATOM 919 CD2 TRP A 83 -3.046 -5.626 2.901 1.00 0.35 C ATOM 920 NE1 TRP A 83 -1.202 -4.400 2.835 1.00 0.50 N ATOM 921 CE2 TRP A 83 -1.784 -5.503 2.246 1.00 0.43 C ATOM 922 CE3 TRP A 83 -3.886 -6.680 2.477 1.00 0.33 C ATOM 923 CZ2 TRP A 83 -1.364 -6.400 1.249 1.00 0.45 C ATOM 924 CZ3 TRP A 83 -3.469 -7.596 1.495 1.00 0.37 C ATOM 925 CH2 TRP A 83 -2.202 -7.474 0.896 1.00 0.40 C ATOM 0 H TRP A 83 -3.964 -2.487 6.646 1.00 0.22 H new ATOM 0 HA TRP A 83 -4.833 -2.546 3.856 1.00 0.22 H new ATOM 0 HB2 TRP A 83 -3.912 -4.538 5.884 1.00 0.27 H new ATOM 0 HB3 TRP A 83 -5.054 -5.096 4.677 1.00 0.27 H new ATOM 0 HD1 TRP A 83 -1.782 -2.968 4.393 1.00 0.46 H new ATOM 0 HE1 TRP A 83 -0.282 -4.037 2.584 1.00 0.50 H new ATOM 0 HE3 TRP A 83 -4.867 -6.784 2.916 1.00 0.33 H new ATOM 0 HZ2 TRP A 83 -0.410 -6.267 0.760 1.00 0.45 H new ATOM 0 HZ3 TRP A 83 -4.127 -8.400 1.198 1.00 0.37 H new ATOM 0 HH2 TRP A 83 -1.874 -8.201 0.168 1.00 0.40 H new ATOM 936 N THR A 84 -7.201 -3.299 4.087 1.00 0.24 N ATOM 937 CA THR A 84 -8.660 -3.409 4.095 1.00 0.25 C ATOM 938 C THR A 84 -9.176 -4.451 3.098 1.00 0.25 C ATOM 939 O THR A 84 -8.441 -4.909 2.221 1.00 0.31 O ATOM 940 CB THR A 84 -9.310 -2.056 3.726 1.00 0.28 C ATOM 941 OG1 THR A 84 -8.913 -1.661 2.438 1.00 0.27 O ATOM 942 CG2 THR A 84 -8.975 -0.880 4.640 1.00 0.38 C ATOM 0 H THR A 84 -6.805 -3.410 3.153 1.00 0.24 H new ATOM 0 HA THR A 84 -8.931 -3.714 5.106 1.00 0.25 H new ATOM 0 HB THR A 84 -10.377 -2.260 3.818 1.00 0.28 H new ATOM 0 HG1 THR A 84 -7.998 -1.969 2.269 1.00 0.27 H new ATOM 0 HG21 THR A 84 -9.486 0.015 4.284 1.00 0.38 H new ATOM 0 HG22 THR A 84 -9.301 -1.104 5.656 1.00 0.38 H new ATOM 0 HG23 THR A 84 -7.898 -0.709 4.634 1.00 0.38 H new ATOM 950 N ASN A 85 -10.454 -4.825 3.206 1.00 0.29 N ATOM 951 CA ASN A 85 -11.155 -5.576 2.157 1.00 0.34 C ATOM 952 C ASN A 85 -11.732 -4.635 1.087 1.00 0.44 C ATOM 953 O ASN A 85 -11.667 -3.413 1.204 1.00 0.51 O ATOM 954 CB ASN A 85 -12.169 -6.564 2.766 1.00 0.43 C ATOM 955 CG ASN A 85 -11.540 -7.896 3.136 1.00 0.61 C ATOM 956 OD1 ASN A 85 -11.713 -8.411 4.226 1.00 1.96 O ATOM 957 ND2 ASN A 85 -10.816 -8.519 2.234 1.00 0.88 N ATOM 0 H ASN A 85 -11.032 -4.617 4.020 1.00 0.29 H new ATOM 0 HA ASN A 85 -10.437 -6.199 1.623 1.00 0.34 H new ATOM 0 HB2 ASN A 85 -12.615 -6.118 3.655 1.00 0.43 H new ATOM 0 HB3 ASN A 85 -12.977 -6.734 2.054 1.00 0.43 H new ATOM 0 HD21 ASN A 85 -10.404 -9.427 2.449 1.00 0.88 H new ATOM 0 HD22 ASN A 85 -10.666 -8.095 1.319 1.00 0.88 H new ATOM 964 N THR A 86 -12.260 -5.202 0.002 1.00 0.59 N ATOM 965 CA THR A 86 -12.720 -4.450 -1.184 1.00 0.80 C ATOM 966 C THR A 86 -13.797 -3.415 -0.869 1.00 0.89 C ATOM 967 O THR A 86 -13.788 -2.340 -1.466 1.00 1.07 O ATOM 968 CB THR A 86 -13.219 -5.400 -2.282 1.00 1.01 C ATOM 969 OG1 THR A 86 -14.075 -6.392 -1.762 1.00 1.33 O ATOM 970 CG2 THR A 86 -12.026 -6.111 -2.901 1.00 1.45 C ATOM 0 H THR A 86 -12.385 -6.210 -0.087 1.00 0.59 H new ATOM 0 HA THR A 86 -11.847 -3.904 -1.541 1.00 0.80 H new ATOM 0 HB THR A 86 -13.762 -4.802 -3.014 1.00 1.01 H new ATOM 0 HG1 THR A 86 -14.375 -6.978 -2.488 1.00 1.33 H new ATOM 0 HG21 THR A 86 -12.371 -6.788 -3.682 1.00 1.45 H new ATOM 0 HG22 THR A 86 -11.348 -5.375 -3.332 1.00 1.45 H new ATOM 0 HG23 THR A 86 -11.503 -6.680 -2.133 1.00 1.45 H new ATOM 978 N ASN A 87 -14.622 -3.675 0.145 1.00 0.85 N ATOM 979 CA ASN A 87 -15.591 -2.713 0.707 1.00 0.98 C ATOM 980 C ASN A 87 -15.005 -1.811 1.813 1.00 0.71 C ATOM 981 O ASN A 87 -15.713 -1.344 2.706 1.00 0.70 O ATOM 982 CB ASN A 87 -16.900 -3.424 1.089 1.00 1.29 C ATOM 983 CG ASN A 87 -17.697 -3.777 -0.144 1.00 2.09 C ATOM 984 OD1 ASN A 87 -18.331 -2.926 -0.754 1.00 2.77 O ATOM 985 ND2 ASN A 87 -17.634 -5.003 -0.590 1.00 2.77 N ATOM 0 H ASN A 87 -14.641 -4.580 0.615 1.00 0.85 H new ATOM 0 HA ASN A 87 -15.840 -2.001 -0.080 1.00 0.98 H new ATOM 0 HB2 ASN A 87 -16.676 -4.329 1.654 1.00 1.29 H new ATOM 0 HB3 ASN A 87 -17.493 -2.780 1.739 1.00 1.29 H new ATOM 0 HD21 ASN A 87 -18.115 -5.257 -1.453 1.00 2.77 H new ATOM 0 HD22 ASN A 87 -17.104 -5.706 -0.076 1.00 2.77 H new ATOM 992 N ASN A 88 -13.700 -1.538 1.742 1.00 0.68 N ATOM 993 CA ASN A 88 -12.965 -0.557 2.542 1.00 0.67 C ATOM 994 C ASN A 88 -13.087 -0.789 4.065 1.00 0.56 C ATOM 995 O ASN A 88 -13.064 0.156 4.851 1.00 0.60 O ATOM 996 CB ASN A 88 -13.311 0.886 2.099 1.00 0.82 C ATOM 997 CG ASN A 88 -14.024 1.017 0.765 1.00 0.88 C ATOM 998 OD1 ASN A 88 -13.339 0.945 -0.344 1.00 1.17 O flip ATOM 999 ND2 ASN A 88 -15.234 1.168 0.710 1.00 0.69 N flip ATOM 0 H ASN A 88 -13.092 -2.026 1.084 1.00 0.68 H new ATOM 0 HA ASN A 88 -11.904 -0.704 2.340 1.00 0.67 H new ATOM 0 HB2 ASN A 88 -13.934 1.342 2.868 1.00 0.82 H new ATOM 0 HB3 ASN A 88 -12.387 1.463 2.054 1.00 0.82 H new ATOM 0 HD21 ASN A 88 -15.780 1.226 1.569 1.00 0.69 H new ATOM 0 HD22 ASN A 88 -15.699 1.236 -0.195 1.00 0.69 H new ATOM 1006 N GLU A 89 -13.278 -2.040 4.486 1.00 0.45 N ATOM 1007 CA GLU A 89 -13.299 -2.448 5.894 1.00 0.42 C ATOM 1008 C GLU A 89 -11.890 -2.696 6.409 1.00 0.38 C ATOM 1009 O GLU A 89 -11.134 -3.400 5.746 1.00 0.35 O ATOM 1010 CB GLU A 89 -14.092 -3.746 6.084 1.00 0.44 C ATOM 1011 CG GLU A 89 -15.566 -3.469 6.376 1.00 0.52 C ATOM 1012 CD GLU A 89 -16.247 -4.749 6.859 1.00 0.94 C ATOM 1013 OE1 GLU A 89 -16.115 -5.061 8.067 1.00 2.00 O ATOM 1014 OE2 GLU A 89 -16.917 -5.439 6.056 1.00 1.66 O ATOM 0 H GLU A 89 -13.426 -2.818 3.843 1.00 0.45 H new ATOM 0 HA GLU A 89 -13.770 -1.635 6.447 1.00 0.42 H new ATOM 0 HB2 GLU A 89 -14.008 -4.359 5.187 1.00 0.44 H new ATOM 0 HB3 GLU A 89 -13.660 -4.320 6.904 1.00 0.44 H new ATOM 0 HG2 GLU A 89 -15.656 -2.690 7.133 1.00 0.52 H new ATOM 0 HG3 GLU A 89 -16.061 -3.099 5.478 1.00 0.52 H new ATOM 1021 N ILE A 90 -11.556 -2.202 7.601 1.00 0.40 N ATOM 1022 CA ILE A 90 -10.233 -2.409 8.194 1.00 0.39 C ATOM 1023 C ILE A 90 -10.142 -3.830 8.763 1.00 0.38 C ATOM 1024 O ILE A 90 -10.977 -4.227 9.577 1.00 0.42 O ATOM 1025 CB ILE A 90 -9.899 -1.356 9.266 1.00 0.45 C ATOM 1026 CG1 ILE A 90 -10.292 0.066 8.820 1.00 0.46 C ATOM 1027 CG2 ILE A 90 -8.389 -1.458 9.558 1.00 0.45 C ATOM 1028 CD1 ILE A 90 -9.871 1.151 9.811 1.00 0.54 C ATOM 0 H ILE A 90 -12.189 -1.651 8.180 1.00 0.40 H new ATOM 0 HA ILE A 90 -9.488 -2.289 7.407 1.00 0.39 H new ATOM 0 HB ILE A 90 -10.475 -1.552 10.170 1.00 0.45 H new ATOM 0 HG12 ILE A 90 -9.838 0.273 7.851 1.00 0.46 H new ATOM 0 HG13 ILE A 90 -11.372 0.110 8.682 1.00 0.46 H new ATOM 0 HG21 ILE A 90 -8.115 -0.724 10.316 1.00 0.45 H new ATOM 0 HG22 ILE A 90 -8.155 -2.459 9.921 1.00 0.45 H new ATOM 0 HG23 ILE A 90 -7.828 -1.263 8.644 1.00 0.45 H new ATOM 0 HD11 ILE A 90 -10.179 2.127 9.435 1.00 0.54 H new ATOM 0 HD12 ILE A 90 -10.346 0.968 10.775 1.00 0.54 H new ATOM 0 HD13 ILE A 90 -8.788 1.134 9.931 1.00 0.54 H new ATOM 1040 N ILE A 91 -9.123 -4.585 8.352 1.00 0.35 N ATOM 1041 CA ILE A 91 -8.924 -5.994 8.740 1.00 0.33 C ATOM 1042 C ILE A 91 -7.578 -6.290 9.427 1.00 0.40 C ATOM 1043 O ILE A 91 -6.611 -5.545 9.285 1.00 0.42 O ATOM 1044 CB ILE A 91 -9.180 -6.927 7.539 1.00 0.30 C ATOM 1045 CG1 ILE A 91 -8.171 -6.764 6.384 1.00 0.28 C ATOM 1046 CG2 ILE A 91 -10.574 -6.700 6.959 1.00 0.32 C ATOM 1047 CD1 ILE A 91 -7.985 -8.078 5.622 1.00 0.67 C ATOM 0 H ILE A 91 -8.396 -4.234 7.729 1.00 0.35 H new ATOM 0 HA ILE A 91 -9.666 -6.199 9.511 1.00 0.33 H new ATOM 0 HB ILE A 91 -9.072 -7.931 7.948 1.00 0.30 H new ATOM 0 HG12 ILE A 91 -8.519 -5.990 5.700 1.00 0.28 H new ATOM 0 HG13 ILE A 91 -7.212 -6.431 6.780 1.00 0.28 H new ATOM 0 HG21 ILE A 91 -10.730 -7.370 6.113 1.00 0.32 H new ATOM 0 HG22 ILE A 91 -11.324 -6.901 7.724 1.00 0.32 H new ATOM 0 HG23 ILE A 91 -10.665 -5.667 6.625 1.00 0.32 H new ATOM 0 HD11 ILE A 91 -7.268 -7.932 4.814 1.00 0.67 H new ATOM 0 HD12 ILE A 91 -7.613 -8.844 6.303 1.00 0.67 H new ATOM 0 HD13 ILE A 91 -8.941 -8.396 5.206 1.00 0.67 H new ATOM 1059 N ASP A 92 -7.522 -7.382 10.191 1.00 0.49 N ATOM 1060 CA ASP A 92 -6.305 -8.008 10.743 1.00 0.60 C ATOM 1061 C ASP A 92 -5.716 -9.029 9.737 1.00 0.63 C ATOM 1062 O ASP A 92 -6.393 -9.458 8.801 1.00 0.57 O ATOM 1063 CB ASP A 92 -6.665 -8.635 12.104 1.00 0.62 C ATOM 1064 CG ASP A 92 -5.532 -9.363 12.843 1.00 0.81 C ATOM 1065 OD1 ASP A 92 -4.333 -9.030 12.674 1.00 1.53 O ATOM 1066 OD2 ASP A 92 -5.850 -10.308 13.601 1.00 1.48 O ATOM 0 H ASP A 92 -8.367 -7.886 10.460 1.00 0.49 H new ATOM 0 HA ASP A 92 -5.522 -7.267 10.905 1.00 0.60 H new ATOM 0 HB2 ASP A 92 -7.045 -7.846 12.753 1.00 0.62 H new ATOM 0 HB3 ASP A 92 -7.481 -9.341 11.950 1.00 0.62 H new ATOM 1071 N GLU A 93 -4.464 -9.461 9.920 1.00 0.75 N ATOM 1072 CA GLU A 93 -3.694 -10.257 8.939 1.00 0.79 C ATOM 1073 C GLU A 93 -4.191 -11.697 8.700 1.00 0.86 C ATOM 1074 O GLU A 93 -3.662 -12.397 7.845 1.00 0.89 O ATOM 1075 CB GLU A 93 -2.187 -10.195 9.256 1.00 0.92 C ATOM 1076 CG GLU A 93 -1.735 -10.931 10.524 1.00 1.05 C ATOM 1077 CD GLU A 93 -0.259 -10.641 10.843 1.00 1.32 C ATOM 1078 OE1 GLU A 93 0.118 -9.461 11.005 1.00 1.91 O ATOM 1079 OE2 GLU A 93 0.554 -11.599 10.978 1.00 2.34 O ATOM 0 H GLU A 93 -3.939 -9.266 10.772 1.00 0.75 H new ATOM 0 HA GLU A 93 -3.876 -9.778 7.977 1.00 0.79 H new ATOM 0 HB2 GLU A 93 -1.640 -10.606 8.407 1.00 0.92 H new ATOM 0 HB3 GLU A 93 -1.898 -9.148 9.345 1.00 0.92 H new ATOM 0 HG2 GLU A 93 -2.358 -10.626 11.365 1.00 1.05 H new ATOM 0 HG3 GLU A 93 -1.877 -12.004 10.394 1.00 1.05 H new ATOM 1086 N ASN A 94 -5.240 -12.131 9.402 1.00 0.95 N ATOM 1087 CA ASN A 94 -5.981 -13.383 9.170 1.00 1.05 C ATOM 1088 C ASN A 94 -7.364 -13.168 8.504 1.00 0.95 C ATOM 1089 O ASN A 94 -8.080 -14.146 8.258 1.00 1.09 O ATOM 1090 CB ASN A 94 -6.111 -14.153 10.492 1.00 1.20 C ATOM 1091 CG ASN A 94 -6.617 -13.231 11.569 1.00 1.52 C ATOM 1092 OD1 ASN A 94 -7.754 -12.781 11.557 1.00 2.66 O ATOM 1093 ND2 ASN A 94 -5.723 -12.808 12.415 1.00 1.41 N ATOM 0 H ASN A 94 -5.617 -11.598 10.185 1.00 0.95 H new ATOM 0 HA ASN A 94 -5.406 -13.973 8.456 1.00 1.05 H new ATOM 0 HB2 ASN A 94 -6.794 -14.993 10.369 1.00 1.20 H new ATOM 0 HB3 ASN A 94 -5.145 -14.567 10.779 1.00 1.20 H new ATOM 0 HD21 ASN A 94 -5.963 -12.083 13.091 1.00 1.41 H new ATOM 0 HD22 ASN A 94 -4.782 -13.202 12.402 1.00 1.41 H new ATOM 1100 N GLY A 95 -7.773 -11.919 8.236 1.00 0.74 N ATOM 1101 CA GLY A 95 -9.037 -11.564 7.574 1.00 0.69 C ATOM 1102 C GLY A 95 -10.222 -11.225 8.496 1.00 0.67 C ATOM 1103 O GLY A 95 -11.339 -11.048 8.002 1.00 0.69 O ATOM 0 H GLY A 95 -7.215 -11.102 8.482 1.00 0.74 H new ATOM 0 HA2 GLY A 95 -8.854 -10.708 6.925 1.00 0.69 H new ATOM 0 HA3 GLY A 95 -9.331 -12.394 6.932 1.00 0.69 H new ATOM 1107 N GLN A 96 -9.995 -11.109 9.808 1.00 0.67 N ATOM 1108 CA GLN A 96 -10.971 -10.610 10.785 1.00 0.63 C ATOM 1109 C GLN A 96 -11.199 -9.104 10.590 1.00 0.53 C ATOM 1110 O GLN A 96 -10.225 -8.350 10.566 1.00 0.40 O ATOM 1111 CB GLN A 96 -10.437 -10.941 12.186 1.00 0.72 C ATOM 1112 CG GLN A 96 -11.260 -10.391 13.362 1.00 0.73 C ATOM 1113 CD GLN A 96 -10.879 -8.986 13.805 1.00 2.23 C ATOM 1114 OE1 GLN A 96 -11.679 -8.067 13.773 1.00 3.80 O ATOM 1115 NE2 GLN A 96 -9.677 -8.782 14.280 1.00 3.63 N ATOM 0 H GLN A 96 -9.104 -11.366 10.232 1.00 0.67 H new ATOM 0 HA GLN A 96 -11.941 -11.088 10.650 1.00 0.63 H new ATOM 0 HB2 GLN A 96 -10.377 -12.025 12.285 1.00 0.72 H new ATOM 0 HB3 GLN A 96 -9.420 -10.556 12.267 1.00 0.72 H new ATOM 0 HG2 GLN A 96 -12.314 -10.396 13.083 1.00 0.73 H new ATOM 0 HG3 GLN A 96 -11.151 -11.066 14.211 1.00 0.73 H new ATOM 0 HE21 GLN A 96 -9.003 -9.547 14.309 1.00 3.63 H new ATOM 0 HE22 GLN A 96 -9.414 -7.858 14.621 1.00 3.63 H new ATOM 1124 N THR A 97 -12.453 -8.658 10.453 1.00 0.66 N ATOM 1125 CA THR A 97 -12.791 -7.243 10.221 1.00 0.59 C ATOM 1126 C THR A 97 -13.121 -6.510 11.527 1.00 0.60 C ATOM 1127 O THR A 97 -13.940 -6.967 12.330 1.00 0.91 O ATOM 1128 CB THR A 97 -13.848 -7.054 9.114 1.00 0.78 C ATOM 1129 OG1 THR A 97 -15.181 -7.038 9.572 1.00 1.11 O ATOM 1130 CG2 THR A 97 -13.791 -8.104 7.998 1.00 0.69 C ATOM 0 H THR A 97 -13.268 -9.269 10.500 1.00 0.66 H new ATOM 0 HA THR A 97 -11.894 -6.762 9.832 1.00 0.59 H new ATOM 0 HB THR A 97 -13.573 -6.073 8.726 1.00 0.78 H new ATOM 0 HG1 THR A 97 -15.737 -6.532 8.943 1.00 1.11 H new ATOM 0 HG21 THR A 97 -14.568 -7.896 7.263 1.00 0.69 H new ATOM 0 HG22 THR A 97 -12.815 -8.068 7.514 1.00 0.69 H new ATOM 0 HG23 THR A 97 -13.950 -9.095 8.423 1.00 0.69 H new ATOM 1138 N LEU A 98 -12.476 -5.364 11.754 1.00 0.53 N ATOM 1139 CA LEU A 98 -12.468 -4.662 13.042 1.00 0.63 C ATOM 1140 C LEU A 98 -13.776 -3.886 13.349 1.00 0.71 C ATOM 1141 O LEU A 98 -13.935 -3.360 14.459 1.00 0.91 O ATOM 1142 CB LEU A 98 -11.212 -3.733 13.090 1.00 0.59 C ATOM 1143 CG LEU A 98 -9.845 -4.374 13.401 1.00 0.57 C ATOM 1144 CD1 LEU A 98 -9.767 -4.951 14.816 1.00 0.71 C ATOM 1145 CD2 LEU A 98 -9.446 -5.520 12.468 1.00 0.52 C ATOM 0 H LEU A 98 -11.933 -4.887 11.034 1.00 0.53 H new ATOM 0 HA LEU A 98 -12.413 -5.411 13.832 1.00 0.63 H new ATOM 0 HB2 LEU A 98 -11.133 -3.230 12.126 1.00 0.59 H new ATOM 0 HB3 LEU A 98 -11.396 -2.962 13.838 1.00 0.59 H new ATOM 0 HG LEU A 98 -9.164 -3.534 13.267 1.00 0.57 H new ATOM 0 HD11 LEU A 98 -8.782 -5.389 14.977 1.00 0.71 H new ATOM 0 HD12 LEU A 98 -9.934 -4.156 15.543 1.00 0.71 H new ATOM 0 HD13 LEU A 98 -10.530 -5.720 14.938 1.00 0.71 H new ATOM 0 HD21 LEU A 98 -8.471 -5.908 12.764 1.00 0.52 H new ATOM 0 HD22 LEU A 98 -10.188 -6.316 12.532 1.00 0.52 H new ATOM 0 HD23 LEU A 98 -9.395 -5.153 11.443 1.00 0.52 H new ATOM 1157 N GLY A 99 -14.717 -3.816 12.401 1.00 0.62 N ATOM 1158 CA GLY A 99 -15.965 -3.061 12.495 1.00 0.68 C ATOM 1159 C GLY A 99 -15.842 -1.592 12.060 1.00 0.67 C ATOM 1160 O GLY A 99 -16.722 -0.787 12.370 1.00 0.79 O ATOM 0 H GLY A 99 -14.623 -4.306 11.511 1.00 0.62 H new ATOM 0 HA2 GLY A 99 -16.720 -3.549 11.879 1.00 0.68 H new ATOM 0 HA3 GLY A 99 -16.322 -3.096 13.524 1.00 0.68 H new ATOM 1164 N VAL A 100 -14.763 -1.230 11.353 1.00 0.63 N ATOM 1165 CA VAL A 100 -14.448 0.141 10.914 1.00 0.67 C ATOM 1166 C VAL A 100 -14.316 0.167 9.394 1.00 0.57 C ATOM 1167 O VAL A 100 -13.867 -0.812 8.787 1.00 0.47 O ATOM 1168 CB VAL A 100 -13.168 0.682 11.587 1.00 0.76 C ATOM 1169 CG1 VAL A 100 -12.906 2.158 11.238 1.00 1.03 C ATOM 1170 CG2 VAL A 100 -13.231 0.577 13.117 1.00 1.38 C ATOM 0 H VAL A 100 -14.058 -1.907 11.059 1.00 0.63 H new ATOM 0 HA VAL A 100 -15.264 0.796 11.219 1.00 0.67 H new ATOM 0 HB VAL A 100 -12.361 0.059 11.202 1.00 0.76 H new ATOM 0 HG11 VAL A 100 -11.995 2.493 11.735 1.00 1.03 H new ATOM 0 HG12 VAL A 100 -12.790 2.262 10.159 1.00 1.03 H new ATOM 0 HG13 VAL A 100 -13.747 2.766 11.573 1.00 1.03 H new ATOM 0 HG21 VAL A 100 -12.309 0.969 13.547 1.00 1.38 H new ATOM 0 HG22 VAL A 100 -14.078 1.154 13.487 1.00 1.38 H new ATOM 0 HG23 VAL A 100 -13.350 -0.467 13.405 1.00 1.38 H new ATOM 1180 N ASN A 101 -14.702 1.282 8.774 1.00 0.64 N ATOM 1181 CA ASN A 101 -14.753 1.496 7.342 1.00 0.60 C ATOM 1182 C ASN A 101 -14.177 2.880 6.958 1.00 0.59 C ATOM 1183 O ASN A 101 -14.062 3.762 7.808 1.00 0.67 O ATOM 1184 CB ASN A 101 -16.236 1.299 6.996 1.00 0.71 C ATOM 1185 CG ASN A 101 -16.618 1.750 5.619 1.00 0.86 C ATOM 1186 OD1 ASN A 101 -17.487 2.594 5.434 1.00 1.33 O ATOM 1187 ND2 ASN A 101 -15.991 1.231 4.601 1.00 0.89 N ATOM 0 H ASN A 101 -15.004 2.104 9.296 1.00 0.64 H new ATOM 0 HA ASN A 101 -14.132 0.808 6.769 1.00 0.60 H new ATOM 0 HB2 ASN A 101 -16.483 0.243 7.100 1.00 0.71 H new ATOM 0 HB3 ASN A 101 -16.841 1.841 7.723 1.00 0.71 H new ATOM 0 HD21 ASN A 101 -16.224 1.528 3.653 1.00 0.89 H new ATOM 0 HD22 ASN A 101 -15.267 0.528 4.752 1.00 0.89 H new ATOM 1194 N ILE A 102 -13.777 3.045 5.692 1.00 0.56 N ATOM 1195 CA ILE A 102 -13.040 4.212 5.167 1.00 0.58 C ATOM 1196 C ILE A 102 -13.620 4.642 3.794 1.00 0.64 C ATOM 1197 O ILE A 102 -14.018 3.793 2.995 1.00 0.75 O ATOM 1198 CB ILE A 102 -11.509 3.900 5.110 1.00 0.50 C ATOM 1199 CG1 ILE A 102 -10.961 3.362 6.463 1.00 0.44 C ATOM 1200 CG2 ILE A 102 -10.733 5.167 4.712 1.00 0.54 C ATOM 1201 CD1 ILE A 102 -9.516 2.832 6.456 1.00 0.40 C ATOM 0 H ILE A 102 -13.962 2.345 4.973 1.00 0.56 H new ATOM 0 HA ILE A 102 -13.166 5.060 5.840 1.00 0.58 H new ATOM 0 HB ILE A 102 -11.368 3.119 4.363 1.00 0.50 H new ATOM 0 HG12 ILE A 102 -11.028 4.162 7.200 1.00 0.44 H new ATOM 0 HG13 ILE A 102 -11.617 2.560 6.802 1.00 0.44 H new ATOM 0 HG21 ILE A 102 -9.667 4.944 4.674 1.00 0.54 H new ATOM 0 HG22 ILE A 102 -11.068 5.506 3.732 1.00 0.54 H new ATOM 0 HG23 ILE A 102 -10.914 5.950 5.448 1.00 0.54 H new ATOM 0 HD11 ILE A 102 -9.251 2.486 7.455 1.00 0.40 H new ATOM 0 HD12 ILE A 102 -9.436 2.004 5.752 1.00 0.40 H new ATOM 0 HD13 ILE A 102 -8.837 3.630 6.156 1.00 0.40 H new ATOM 1213 N ASP A 103 -13.687 5.943 3.479 1.00 0.63 N ATOM 1214 CA ASP A 103 -14.087 6.436 2.143 1.00 0.67 C ATOM 1215 C ASP A 103 -12.931 6.339 1.122 1.00 0.60 C ATOM 1216 O ASP A 103 -11.796 6.601 1.518 1.00 0.55 O ATOM 1217 CB ASP A 103 -14.485 7.914 2.221 1.00 0.74 C ATOM 1218 CG ASP A 103 -15.420 8.285 1.079 1.00 0.88 C ATOM 1219 OD1 ASP A 103 -16.631 7.971 1.149 1.00 1.67 O ATOM 1220 OD2 ASP A 103 -14.931 8.842 0.074 1.00 1.83 O ATOM 0 H ASP A 103 -13.466 6.688 4.140 1.00 0.63 H new ATOM 0 HA ASP A 103 -14.920 5.812 1.821 1.00 0.67 H new ATOM 0 HB2 ASP A 103 -14.973 8.114 3.175 1.00 0.74 H new ATOM 0 HB3 ASP A 103 -13.592 8.538 2.183 1.00 0.74 H new ATOM 1225 N PRO A 104 -13.141 6.096 -0.191 1.00 0.69 N ATOM 1226 CA PRO A 104 -12.037 6.134 -1.156 1.00 0.69 C ATOM 1227 C PRO A 104 -11.620 7.561 -1.564 1.00 0.74 C ATOM 1228 O PRO A 104 -10.517 7.751 -2.070 1.00 0.74 O ATOM 1229 CB PRO A 104 -12.519 5.286 -2.333 1.00 0.76 C ATOM 1230 CG PRO A 104 -14.034 5.479 -2.332 1.00 0.95 C ATOM 1231 CD PRO A 104 -14.390 5.750 -0.867 1.00 0.81 C ATOM 0 HA PRO A 104 -11.119 5.737 -0.722 1.00 0.69 H new ATOM 0 HB2 PRO A 104 -12.075 5.617 -3.272 1.00 0.76 H new ATOM 0 HB3 PRO A 104 -12.250 4.237 -2.206 1.00 0.76 H new ATOM 0 HG2 PRO A 104 -14.328 6.311 -2.971 1.00 0.95 H new ATOM 0 HG3 PRO A 104 -14.546 4.593 -2.707 1.00 0.95 H new ATOM 0 HD2 PRO A 104 -15.112 6.563 -0.788 1.00 0.81 H new ATOM 0 HD3 PRO A 104 -14.847 4.872 -0.411 1.00 0.81 H new ATOM 1239 N GLN A 105 -12.478 8.567 -1.376 1.00 0.82 N ATOM 1240 CA GLN A 105 -12.273 9.978 -1.746 1.00 0.90 C ATOM 1241 C GLN A 105 -11.811 10.854 -0.571 1.00 0.92 C ATOM 1242 O GLN A 105 -10.985 11.754 -0.742 1.00 1.05 O ATOM 1243 CB GLN A 105 -13.583 10.533 -2.307 1.00 1.00 C ATOM 1244 CG GLN A 105 -14.272 9.641 -3.341 1.00 1.08 C ATOM 1245 CD GLN A 105 -13.499 9.405 -4.634 1.00 1.09 C ATOM 1246 OE1 GLN A 105 -12.390 8.700 -4.597 1.00 1.62 O flip ATOM 1247 NE2 GLN A 105 -13.911 9.816 -5.713 1.00 1.32 N flip ATOM 0 H GLN A 105 -13.386 8.415 -0.937 1.00 0.82 H new ATOM 0 HA GLN A 105 -11.477 10.007 -2.490 1.00 0.90 H new ATOM 0 HB2 GLN A 105 -14.272 10.704 -1.480 1.00 1.00 H new ATOM 0 HB3 GLN A 105 -13.384 11.504 -2.761 1.00 1.00 H new ATOM 0 HG2 GLN A 105 -14.477 8.674 -2.881 1.00 1.08 H new ATOM 0 HG3 GLN A 105 -15.235 10.085 -3.592 1.00 1.08 H new ATOM 0 HE21 GLN A 105 -14.770 10.364 -5.756 1.00 1.32 H new ATOM 0 HE22 GLN A 105 -13.395 9.610 -6.568 1.00 1.32 H new ATOM 1256 N THR A 106 -12.346 10.592 0.626 1.00 0.86 N ATOM 1257 CA THR A 106 -12.042 11.358 1.854 1.00 0.89 C ATOM 1258 C THR A 106 -10.941 10.714 2.695 1.00 0.80 C ATOM 1259 O THR A 106 -10.250 11.402 3.448 1.00 0.85 O ATOM 1260 CB THR A 106 -13.298 11.575 2.727 1.00 0.96 C ATOM 1261 OG1 THR A 106 -13.586 10.472 3.544 1.00 0.88 O ATOM 1262 CG2 THR A 106 -14.552 11.846 1.903 1.00 1.04 C ATOM 0 H THR A 106 -13.011 9.834 0.778 1.00 0.86 H new ATOM 0 HA THR A 106 -11.681 12.327 1.508 1.00 0.89 H new ATOM 0 HB THR A 106 -13.049 12.445 3.334 1.00 0.96 H new ATOM 0 HG1 THR A 106 -14.467 10.591 3.955 1.00 0.88 H new ATOM 0 HG21 THR A 106 -15.402 11.990 2.570 1.00 1.04 H new ATOM 0 HG22 THR A 106 -14.406 12.744 1.302 1.00 1.04 H new ATOM 0 HG23 THR A 106 -14.746 10.998 1.246 1.00 1.04 H new ATOM 1270 N PHE A 107 -10.784 9.385 2.587 1.00 0.70 N ATOM 1271 CA PHE A 107 -9.935 8.563 3.465 1.00 0.64 C ATOM 1272 C PHE A 107 -10.272 8.728 4.975 1.00 0.68 C ATOM 1273 O PHE A 107 -9.457 8.393 5.840 1.00 0.70 O ATOM 1274 CB PHE A 107 -8.444 8.771 3.108 1.00 0.66 C ATOM 1275 CG PHE A 107 -7.807 7.948 1.994 1.00 0.57 C ATOM 1276 CD1 PHE A 107 -8.526 7.239 1.010 1.00 1.60 C ATOM 1277 CD2 PHE A 107 -6.402 7.912 1.948 1.00 1.60 C ATOM 1278 CE1 PHE A 107 -7.845 6.454 0.072 1.00 1.64 C ATOM 1279 CE2 PHE A 107 -5.718 7.163 0.979 1.00 1.55 C ATOM 1280 CZ PHE A 107 -6.442 6.405 0.051 1.00 0.53 C ATOM 0 H PHE A 107 -11.257 8.838 1.868 1.00 0.70 H new ATOM 0 HA PHE A 107 -10.159 7.513 3.277 1.00 0.64 H new ATOM 0 HB2 PHE A 107 -8.316 9.822 2.849 1.00 0.66 H new ATOM 0 HB3 PHE A 107 -7.865 8.593 4.014 1.00 0.66 H new ATOM 0 HD1 PHE A 107 -9.604 7.302 0.980 1.00 1.60 H new ATOM 0 HD2 PHE A 107 -5.836 8.474 2.676 1.00 1.60 H new ATOM 0 HE1 PHE A 107 -8.408 5.877 -0.647 1.00 1.64 H new ATOM 0 HE2 PHE A 107 -4.638 7.171 0.949 1.00 1.55 H new ATOM 0 HZ PHE A 107 -5.927 5.790 -0.672 1.00 0.53 H new ATOM 1290 N LYS A 108 -11.472 9.228 5.317 1.00 0.71 N ATOM 1291 CA LYS A 108 -11.943 9.431 6.700 1.00 0.75 C ATOM 1292 C LYS A 108 -12.627 8.168 7.241 1.00 0.69 C ATOM 1293 O LYS A 108 -13.252 7.415 6.486 1.00 0.66 O ATOM 1294 CB LYS A 108 -12.776 10.735 6.796 1.00 0.88 C ATOM 1295 CG LYS A 108 -14.308 10.575 6.727 1.00 1.05 C ATOM 1296 CD LYS A 108 -14.942 10.498 8.127 1.00 1.39 C ATOM 1297 CE LYS A 108 -16.321 9.826 8.096 1.00 1.55 C ATOM 1298 NZ LYS A 108 -16.929 9.770 9.444 1.00 2.74 N ATOM 0 H LYS A 108 -12.161 9.510 4.620 1.00 0.71 H new ATOM 0 HA LYS A 108 -11.095 9.583 7.368 1.00 0.75 H new ATOM 0 HB2 LYS A 108 -12.526 11.232 7.733 1.00 0.88 H new ATOM 0 HB3 LYS A 108 -12.465 11.400 5.990 1.00 0.88 H new ATOM 0 HG2 LYS A 108 -14.736 11.415 6.181 1.00 1.05 H new ATOM 0 HG3 LYS A 108 -14.554 9.672 6.167 1.00 1.05 H new ATOM 0 HD2 LYS A 108 -14.283 9.942 8.794 1.00 1.39 H new ATOM 0 HD3 LYS A 108 -15.037 11.503 8.538 1.00 1.39 H new ATOM 0 HE2 LYS A 108 -16.979 10.375 7.422 1.00 1.55 H new ATOM 0 HE3 LYS A 108 -16.226 8.816 7.697 1.00 1.55 H new ATOM 0 HZ1 LYS A 108 -17.926 9.484 9.364 1.00 2.74 H new ATOM 0 HZ2 LYS A 108 -16.417 9.078 10.027 1.00 2.74 H new ATOM 0 HZ3 LYS A 108 -16.873 10.708 9.890 1.00 2.74 H new ATOM 1312 N LEU A 109 -12.515 7.940 8.547 1.00 0.71 N ATOM 1313 CA LEU A 109 -12.963 6.729 9.243 1.00 0.68 C ATOM 1314 C LEU A 109 -14.442 6.791 9.649 1.00 0.72 C ATOM 1315 O LEU A 109 -14.948 7.843 10.037 1.00 0.75 O ATOM 1316 CB LEU A 109 -12.070 6.531 10.483 1.00 0.69 C ATOM 1317 CG LEU A 109 -10.630 6.125 10.118 1.00 0.64 C ATOM 1318 CD1 LEU A 109 -9.609 6.577 11.157 1.00 0.65 C ATOM 1319 CD2 LEU A 109 -10.518 4.610 10.023 1.00 0.62 C ATOM 0 H LEU A 109 -12.092 8.620 9.179 1.00 0.71 H new ATOM 0 HA LEU A 109 -12.873 5.883 8.561 1.00 0.68 H new ATOM 0 HB2 LEU A 109 -12.047 7.455 11.061 1.00 0.69 H new ATOM 0 HB3 LEU A 109 -12.508 5.765 11.123 1.00 0.69 H new ATOM 0 HG LEU A 109 -10.416 6.610 9.165 1.00 0.64 H new ATOM 0 HD11 LEU A 109 -8.612 6.264 10.848 1.00 0.65 H new ATOM 0 HD12 LEU A 109 -9.637 7.663 11.246 1.00 0.65 H new ATOM 0 HD13 LEU A 109 -9.848 6.128 12.121 1.00 0.65 H new ATOM 0 HD21 LEU A 109 -9.495 4.336 9.764 1.00 0.62 H new ATOM 0 HD22 LEU A 109 -10.781 4.165 10.983 1.00 0.62 H new ATOM 0 HD23 LEU A 109 -11.197 4.242 9.254 1.00 0.62 H new ATOM 1331 N SER A 110 -15.131 5.649 9.655 1.00 0.73 N ATOM 1332 CA SER A 110 -16.504 5.537 10.180 1.00 0.79 C ATOM 1333 C SER A 110 -16.603 5.762 11.700 1.00 0.88 C ATOM 1334 O SER A 110 -17.688 6.046 12.212 1.00 1.21 O ATOM 1335 CB SER A 110 -17.086 4.172 9.801 1.00 0.96 C ATOM 1336 OG SER A 110 -16.407 3.113 10.456 1.00 1.55 O ATOM 0 H SER A 110 -14.757 4.770 9.296 1.00 0.73 H new ATOM 0 HA SER A 110 -17.086 6.337 9.722 1.00 0.79 H new ATOM 0 HB2 SER A 110 -18.144 4.142 10.061 1.00 0.96 H new ATOM 0 HB3 SER A 110 -17.019 4.035 8.722 1.00 0.96 H new ATOM 0 HG SER A 110 -16.805 2.257 10.193 1.00 1.55 H new ATOM 1342 N GLY A 111 -15.473 5.686 12.408 1.00 0.81 N ATOM 1343 CA GLY A 111 -15.356 5.734 13.868 1.00 0.87 C ATOM 1344 C GLY A 111 -13.908 5.940 14.331 1.00 0.85 C ATOM 1345 O GLY A 111 -13.114 6.582 13.639 1.00 0.88 O ATOM 0 H GLY A 111 -14.566 5.584 11.953 1.00 0.81 H new ATOM 0 HA2 GLY A 111 -15.977 6.543 14.253 1.00 0.87 H new ATOM 0 HA3 GLY A 111 -15.742 4.807 14.292 1.00 0.87 H new ATOM 1349 N ALA A 112 -13.562 5.423 15.511 1.00 0.88 N ATOM 1350 CA ALA A 112 -12.231 5.561 16.112 1.00 0.90 C ATOM 1351 C ALA A 112 -11.162 4.625 15.500 1.00 0.79 C ATOM 1352 O ALA A 112 -11.464 3.668 14.785 1.00 0.73 O ATOM 1353 CB ALA A 112 -12.368 5.349 17.626 1.00 1.05 C ATOM 0 H ALA A 112 -14.210 4.886 16.088 1.00 0.88 H new ATOM 0 HA ALA A 112 -11.865 6.564 15.895 1.00 0.90 H new ATOM 0 HB1 ALA A 112 -11.390 5.447 18.097 1.00 1.05 H new ATOM 0 HB2 ALA A 112 -13.046 6.097 18.038 1.00 1.05 H new ATOM 0 HB3 ALA A 112 -12.766 4.353 17.819 1.00 1.05 H new ATOM 1359 N MET A 113 -9.890 4.883 15.826 1.00 0.88 N ATOM 1360 CA MET A 113 -8.750 4.015 15.495 1.00 0.89 C ATOM 1361 C MET A 113 -8.927 2.568 16.021 1.00 0.81 C ATOM 1362 O MET A 113 -9.338 2.379 17.176 1.00 0.95 O ATOM 1363 CB MET A 113 -7.464 4.641 16.067 1.00 1.13 C ATOM 1364 CG MET A 113 -6.751 5.533 15.049 1.00 1.16 C ATOM 1365 SD MET A 113 -5.733 4.606 13.867 1.00 1.62 S ATOM 1366 CE MET A 113 -6.294 5.336 12.312 1.00 1.13 C ATOM 0 H MET A 113 -9.617 5.721 16.340 1.00 0.88 H new ATOM 0 HA MET A 113 -8.687 3.942 14.409 1.00 0.89 H new ATOM 0 HB2 MET A 113 -7.711 5.228 16.952 1.00 1.13 H new ATOM 0 HB3 MET A 113 -6.788 3.848 16.389 1.00 1.13 H new ATOM 0 HG2 MET A 113 -7.494 6.112 14.501 1.00 1.16 H new ATOM 0 HG3 MET A 113 -6.120 6.245 15.580 1.00 1.16 H new ATOM 0 HE1 MET A 113 -5.542 5.170 11.540 1.00 1.13 H new ATOM 0 HE2 MET A 113 -7.233 4.872 12.010 1.00 1.13 H new ATOM 0 HE3 MET A 113 -6.446 6.407 12.447 1.00 1.13 H new ATOM 1376 N PRO A 114 -8.594 1.534 15.217 1.00 0.67 N ATOM 1377 CA PRO A 114 -8.717 0.126 15.605 1.00 0.63 C ATOM 1378 C PRO A 114 -7.543 -0.361 16.472 1.00 0.70 C ATOM 1379 O PRO A 114 -6.455 0.221 16.455 1.00 0.80 O ATOM 1380 CB PRO A 114 -8.747 -0.642 14.285 1.00 0.50 C ATOM 1381 CG PRO A 114 -7.762 0.165 13.451 1.00 0.59 C ATOM 1382 CD PRO A 114 -8.084 1.599 13.850 1.00 0.69 C ATOM 0 HA PRO A 114 -9.608 -0.026 16.214 1.00 0.63 H new ATOM 0 HB2 PRO A 114 -8.432 -1.679 14.405 1.00 0.50 H new ATOM 0 HB3 PRO A 114 -9.743 -0.660 13.842 1.00 0.50 H new ATOM 0 HG2 PRO A 114 -6.729 -0.097 13.679 1.00 0.59 H new ATOM 0 HG3 PRO A 114 -7.905 -0.000 12.383 1.00 0.59 H new ATOM 0 HD2 PRO A 114 -7.195 2.228 13.795 1.00 0.69 H new ATOM 0 HD3 PRO A 114 -8.824 2.034 13.178 1.00 0.69 H new ATOM 1390 N ALA A 115 -7.716 -1.509 17.130 1.00 0.76 N ATOM 1391 CA ALA A 115 -6.650 -2.221 17.820 1.00 0.90 C ATOM 1392 C ALA A 115 -5.811 -3.061 16.836 1.00 0.87 C ATOM 1393 O ALA A 115 -4.866 -2.568 16.221 1.00 1.36 O ATOM 1394 CB ALA A 115 -7.281 -3.031 18.965 1.00 1.04 C ATOM 0 H ALA A 115 -8.621 -1.975 17.197 1.00 0.76 H new ATOM 0 HA ALA A 115 -5.935 -1.525 18.259 1.00 0.90 H new ATOM 0 HB1 ALA A 115 -6.501 -3.575 19.499 1.00 1.04 H new ATOM 0 HB2 ALA A 115 -7.788 -2.354 19.653 1.00 1.04 H new ATOM 0 HB3 ALA A 115 -8.002 -3.739 18.556 1.00 1.04 H new ATOM 1400 N THR A 116 -6.199 -4.321 16.620 1.00 0.81 N ATOM 1401 CA THR A 116 -5.402 -5.354 15.931 1.00 0.77 C ATOM 1402 C THR A 116 -5.353 -5.273 14.396 1.00 0.67 C ATOM 1403 O THR A 116 -4.913 -6.216 13.735 1.00 0.73 O ATOM 1404 CB THR A 116 -5.808 -6.751 16.437 1.00 0.82 C ATOM 1405 OG1 THR A 116 -7.164 -7.038 16.173 1.00 0.89 O ATOM 1406 CG2 THR A 116 -5.650 -6.838 17.956 1.00 0.91 C ATOM 0 H THR A 116 -7.107 -4.667 16.929 1.00 0.81 H new ATOM 0 HA THR A 116 -4.367 -5.147 16.203 1.00 0.77 H new ATOM 0 HB THR A 116 -5.160 -7.456 15.916 1.00 0.82 H new ATOM 0 HG1 THR A 116 -7.380 -7.933 16.508 1.00 0.89 H new ATOM 0 HG21 THR A 116 -5.941 -7.832 18.296 1.00 0.91 H new ATOM 0 HG22 THR A 116 -4.610 -6.653 18.225 1.00 0.91 H new ATOM 0 HG23 THR A 116 -6.286 -6.091 18.431 1.00 0.91 H new ATOM 1414 N ALA A 117 -5.750 -4.139 13.810 1.00 0.58 N ATOM 1415 CA ALA A 117 -5.712 -3.893 12.367 1.00 0.46 C ATOM 1416 C ALA A 117 -4.303 -4.038 11.746 1.00 0.44 C ATOM 1417 O ALA A 117 -3.287 -3.683 12.350 1.00 0.50 O ATOM 1418 CB ALA A 117 -6.281 -2.494 12.109 1.00 0.45 C ATOM 0 H ALA A 117 -6.116 -3.348 14.340 1.00 0.58 H new ATOM 0 HA ALA A 117 -6.316 -4.658 11.879 1.00 0.46 H new ATOM 0 HB1 ALA A 117 -6.264 -2.286 11.039 1.00 0.45 H new ATOM 0 HB2 ALA A 117 -7.308 -2.446 12.471 1.00 0.45 H new ATOM 0 HB3 ALA A 117 -5.677 -1.753 12.633 1.00 0.45 H new ATOM 1424 N MET A 118 -4.266 -4.518 10.504 1.00 0.37 N ATOM 1425 CA MET A 118 -3.088 -4.721 9.661 1.00 0.34 C ATOM 1426 C MET A 118 -2.553 -3.376 9.145 1.00 0.31 C ATOM 1427 O MET A 118 -3.120 -2.776 8.233 1.00 0.31 O ATOM 1428 CB MET A 118 -3.529 -5.649 8.516 1.00 0.31 C ATOM 1429 CG MET A 118 -2.437 -5.986 7.504 1.00 0.34 C ATOM 1430 SD MET A 118 -0.976 -6.822 8.155 1.00 1.46 S ATOM 1431 CE MET A 118 -0.747 -8.031 6.825 1.00 0.52 C ATOM 0 H MET A 118 -5.122 -4.796 10.025 1.00 0.37 H new ATOM 0 HA MET A 118 -2.267 -5.174 10.217 1.00 0.34 H new ATOM 0 HB2 MET A 118 -3.905 -6.578 8.945 1.00 0.31 H new ATOM 0 HB3 MET A 118 -4.361 -5.181 7.989 1.00 0.31 H new ATOM 0 HG2 MET A 118 -2.873 -6.614 6.727 1.00 0.34 H new ATOM 0 HG3 MET A 118 -2.117 -5.061 7.025 1.00 0.34 H new ATOM 0 HE1 MET A 118 0.277 -8.403 6.844 1.00 0.52 H new ATOM 0 HE2 MET A 118 -1.438 -8.862 6.966 1.00 0.52 H new ATOM 0 HE3 MET A 118 -0.943 -7.556 5.864 1.00 0.52 H new ATOM 1441 N LYS A 119 -1.476 -2.880 9.756 1.00 0.49 N ATOM 1442 CA LYS A 119 -0.888 -1.541 9.515 1.00 0.47 C ATOM 1443 C LYS A 119 0.598 -1.482 9.889 1.00 0.56 C ATOM 1444 O LYS A 119 1.028 -2.170 10.821 1.00 0.77 O ATOM 1445 CB LYS A 119 -1.677 -0.499 10.329 1.00 0.56 C ATOM 1446 CG LYS A 119 -1.699 -0.721 11.858 1.00 0.73 C ATOM 1447 CD LYS A 119 -3.082 -0.352 12.414 1.00 0.93 C ATOM 1448 CE LYS A 119 -3.245 -0.629 13.920 1.00 1.09 C ATOM 1449 NZ LYS A 119 -2.470 0.302 14.774 1.00 1.00 N ATOM 0 H LYS A 119 -0.963 -3.411 10.460 1.00 0.49 H new ATOM 0 HA LYS A 119 -0.956 -1.326 8.449 1.00 0.47 H new ATOM 0 HB2 LYS A 119 -1.255 0.486 10.129 1.00 0.56 H new ATOM 0 HB3 LYS A 119 -2.705 -0.485 9.967 1.00 0.56 H new ATOM 0 HG2 LYS A 119 -1.470 -1.762 12.088 1.00 0.73 H new ATOM 0 HG3 LYS A 119 -0.930 -0.113 12.335 1.00 0.73 H new ATOM 0 HD2 LYS A 119 -3.267 0.706 12.227 1.00 0.93 H new ATOM 0 HD3 LYS A 119 -3.843 -0.910 11.868 1.00 0.93 H new ATOM 0 HE2 LYS A 119 -4.300 -0.559 14.183 1.00 1.09 H new ATOM 0 HE3 LYS A 119 -2.931 -1.651 14.131 1.00 1.09 H new ATOM 0 HZ1 LYS A 119 -2.622 0.063 15.775 1.00 1.00 H new ATOM 0 HZ2 LYS A 119 -1.458 0.220 14.548 1.00 1.00 H new ATOM 0 HZ3 LYS A 119 -2.785 1.278 14.599 1.00 1.00 H new ATOM 1463 N LYS A 120 1.373 -0.639 9.197 1.00 0.43 N ATOM 1464 CA LYS A 120 2.765 -0.269 9.535 1.00 0.37 C ATOM 1465 C LYS A 120 3.193 0.965 8.730 1.00 0.35 C ATOM 1466 O LYS A 120 2.605 1.263 7.695 1.00 0.43 O ATOM 1467 CB LYS A 120 3.744 -1.438 9.255 1.00 0.57 C ATOM 1468 CG LYS A 120 4.912 -1.474 10.264 1.00 0.84 C ATOM 1469 CD LYS A 120 6.194 -2.143 9.741 1.00 1.11 C ATOM 1470 CE LYS A 120 6.053 -3.594 9.260 1.00 1.46 C ATOM 1471 NZ LYS A 120 6.046 -4.576 10.378 1.00 2.61 N ATOM 0 H LYS A 120 1.041 -0.174 8.352 1.00 0.43 H new ATOM 0 HA LYS A 120 2.800 -0.041 10.600 1.00 0.37 H new ATOM 0 HB2 LYS A 120 3.201 -2.382 9.296 1.00 0.57 H new ATOM 0 HB3 LYS A 120 4.142 -1.343 8.245 1.00 0.57 H new ATOM 0 HG2 LYS A 120 5.148 -0.453 10.563 1.00 0.84 H new ATOM 0 HG3 LYS A 120 4.584 -2.000 11.160 1.00 0.84 H new ATOM 0 HD2 LYS A 120 6.581 -1.545 8.916 1.00 1.11 H new ATOM 0 HD3 LYS A 120 6.942 -2.116 10.533 1.00 1.11 H new ATOM 0 HE2 LYS A 120 5.130 -3.694 8.689 1.00 1.46 H new ATOM 0 HE3 LYS A 120 6.874 -3.828 8.582 1.00 1.46 H new ATOM 0 HZ1 LYS A 120 5.949 -5.538 9.995 1.00 2.61 H new ATOM 0 HZ2 LYS A 120 6.937 -4.504 10.909 1.00 2.61 H new ATOM 0 HZ3 LYS A 120 5.247 -4.374 11.013 1.00 2.61 H new ATOM 1485 N LEU A 121 4.237 1.649 9.196 1.00 0.39 N ATOM 1486 CA LEU A 121 4.920 2.721 8.463 1.00 0.40 C ATOM 1487 C LEU A 121 6.100 2.191 7.631 1.00 0.42 C ATOM 1488 O LEU A 121 6.789 1.275 8.089 1.00 0.45 O ATOM 1489 CB LEU A 121 5.379 3.823 9.435 1.00 0.44 C ATOM 1490 CG LEU A 121 4.199 4.532 10.119 1.00 0.44 C ATOM 1491 CD1 LEU A 121 3.868 3.976 11.500 1.00 0.48 C ATOM 1492 CD2 LEU A 121 4.460 6.031 10.244 1.00 0.50 C ATOM 0 H LEU A 121 4.643 1.471 10.115 1.00 0.39 H new ATOM 0 HA LEU A 121 4.205 3.149 7.760 1.00 0.40 H new ATOM 0 HB2 LEU A 121 6.027 3.386 10.195 1.00 0.44 H new ATOM 0 HB3 LEU A 121 5.975 4.557 8.892 1.00 0.44 H new ATOM 0 HG LEU A 121 3.340 4.346 9.474 1.00 0.44 H new ATOM 0 HD11 LEU A 121 3.026 4.525 11.921 1.00 0.48 H new ATOM 0 HD12 LEU A 121 3.607 2.921 11.415 1.00 0.48 H new ATOM 0 HD13 LEU A 121 4.734 4.084 12.153 1.00 0.48 H new ATOM 0 HD21 LEU A 121 3.610 6.509 10.731 1.00 0.50 H new ATOM 0 HD22 LEU A 121 5.359 6.196 10.839 1.00 0.50 H new ATOM 0 HD23 LEU A 121 4.598 6.460 9.252 1.00 0.50 H new ATOM 1504 N THR A 122 6.400 2.784 6.465 1.00 0.41 N ATOM 1505 CA THR A 122 7.647 2.472 5.725 1.00 0.43 C ATOM 1506 C THR A 122 8.861 2.934 6.538 1.00 0.47 C ATOM 1507 O THR A 122 8.864 4.052 7.054 1.00 0.50 O ATOM 1508 CB THR A 122 7.722 3.110 4.318 1.00 0.45 C ATOM 1509 OG1 THR A 122 7.107 4.381 4.301 1.00 0.49 O ATOM 1510 CG2 THR A 122 7.090 2.307 3.173 1.00 0.47 C ATOM 0 H THR A 122 5.806 3.478 6.012 1.00 0.41 H new ATOM 0 HA THR A 122 7.647 1.391 5.585 1.00 0.43 H new ATOM 0 HB THR A 122 8.796 3.153 4.136 1.00 0.45 H new ATOM 0 HG1 THR A 122 7.027 4.693 3.376 1.00 0.49 H new ATOM 0 HG21 THR A 122 7.205 2.855 2.238 1.00 0.47 H new ATOM 0 HG22 THR A 122 7.586 1.340 3.090 1.00 0.47 H new ATOM 0 HG23 THR A 122 6.030 2.155 3.377 1.00 0.47 H new ATOM 1518 N GLU A 123 9.898 2.101 6.673 1.00 0.51 N ATOM 1519 CA GLU A 123 11.099 2.440 7.475 1.00 0.57 C ATOM 1520 C GLU A 123 12.150 3.258 6.709 1.00 0.62 C ATOM 1521 O GLU A 123 12.326 4.453 6.955 1.00 0.78 O ATOM 1522 CB GLU A 123 11.713 1.221 8.184 1.00 0.68 C ATOM 1523 CG GLU A 123 11.696 -0.084 7.395 1.00 0.78 C ATOM 1524 CD GLU A 123 12.482 -1.176 8.127 1.00 1.21 C ATOM 1525 OE1 GLU A 123 12.038 -1.645 9.200 1.00 2.48 O ATOM 1526 OE2 GLU A 123 13.547 -1.609 7.633 1.00 1.55 O ATOM 0 H GLU A 123 9.938 1.179 6.238 1.00 0.51 H new ATOM 0 HA GLU A 123 10.728 3.102 8.258 1.00 0.57 H new ATOM 0 HB2 GLU A 123 12.746 1.456 8.440 1.00 0.68 H new ATOM 0 HB3 GLU A 123 11.180 1.064 9.122 1.00 0.68 H new ATOM 0 HG2 GLU A 123 10.667 -0.410 7.245 1.00 0.78 H new ATOM 0 HG3 GLU A 123 12.126 0.078 6.407 1.00 0.78 H new ATOM 1533 N ALA A 124 12.821 2.620 5.752 1.00 0.69 N ATOM 1534 CA ALA A 124 13.754 3.258 4.831 1.00 0.78 C ATOM 1535 C ALA A 124 13.621 2.688 3.414 1.00 0.83 C ATOM 1536 O ALA A 124 13.626 3.455 2.450 1.00 1.06 O ATOM 1537 CB ALA A 124 15.177 3.108 5.378 1.00 0.86 C ATOM 0 H ALA A 124 12.727 1.617 5.593 1.00 0.69 H new ATOM 0 HA ALA A 124 13.517 4.319 4.756 1.00 0.78 H new ATOM 0 HB1 ALA A 124 15.881 3.583 4.695 1.00 0.86 H new ATOM 0 HB2 ALA A 124 15.243 3.585 6.356 1.00 0.86 H new ATOM 0 HB3 ALA A 124 15.421 2.050 5.473 1.00 0.86 H new ATOM 1543 N GLU A 125 13.432 1.369 3.287 1.00 0.80 N ATOM 1544 CA GLU A 125 13.213 0.702 1.998 1.00 1.04 C ATOM 1545 C GLU A 125 11.737 0.400 1.705 1.00 1.08 C ATOM 1546 O GLU A 125 11.336 0.354 0.546 1.00 1.88 O ATOM 1547 CB GLU A 125 14.007 -0.612 1.958 1.00 1.21 C ATOM 1548 CG GLU A 125 15.496 -0.500 2.327 1.00 1.53 C ATOM 1549 CD GLU A 125 15.784 -0.777 3.810 1.00 3.27 C ATOM 1550 OE1 GLU A 125 14.871 -0.715 4.669 1.00 4.45 O ATOM 1551 OE2 GLU A 125 16.957 -1.094 4.137 1.00 4.27 O ATOM 0 H GLU A 125 13.427 0.730 4.082 1.00 0.80 H new ATOM 0 HA GLU A 125 13.556 1.396 1.231 1.00 1.04 H new ATOM 0 HB2 GLU A 125 13.535 -1.322 2.638 1.00 1.21 H new ATOM 0 HB3 GLU A 125 13.930 -1.032 0.955 1.00 1.21 H new ATOM 0 HG2 GLU A 125 16.067 -1.201 1.718 1.00 1.53 H new ATOM 0 HG3 GLU A 125 15.849 0.500 2.077 1.00 1.53 H new ATOM 1558 N GLY A 126 10.929 0.182 2.746 1.00 0.66 N ATOM 1559 CA GLY A 126 9.559 -0.318 2.643 1.00 0.57 C ATOM 1560 C GLY A 126 8.998 -0.720 4.013 1.00 0.57 C ATOM 1561 O GLY A 126 9.543 -0.321 5.041 1.00 0.69 O ATOM 0 H GLY A 126 11.219 0.354 3.709 1.00 0.66 H new ATOM 0 HA2 GLY A 126 8.924 0.449 2.200 1.00 0.57 H new ATOM 0 HA3 GLY A 126 9.535 -1.178 1.973 1.00 0.57 H new ATOM 1565 N ALA A 127 7.902 -1.477 4.026 1.00 0.50 N ATOM 1566 CA ALA A 127 7.325 -2.155 5.191 1.00 0.47 C ATOM 1567 C ALA A 127 6.811 -3.563 4.827 1.00 0.43 C ATOM 1568 O ALA A 127 6.054 -3.717 3.866 1.00 0.42 O ATOM 1569 CB ALA A 127 6.189 -1.303 5.758 1.00 0.50 C ATOM 0 H ALA A 127 7.361 -1.644 3.178 1.00 0.50 H new ATOM 0 HA ALA A 127 8.104 -2.277 5.944 1.00 0.47 H new ATOM 0 HB1 ALA A 127 5.757 -1.803 6.625 1.00 0.50 H new ATOM 0 HB2 ALA A 127 6.578 -0.330 6.057 1.00 0.50 H new ATOM 0 HB3 ALA A 127 5.421 -1.168 4.997 1.00 0.50 H new ATOM 1575 N LYS A 128 7.164 -4.582 5.621 1.00 0.43 N ATOM 1576 CA LYS A 128 6.665 -5.962 5.489 1.00 0.43 C ATOM 1577 C LYS A 128 5.275 -6.144 6.110 1.00 0.37 C ATOM 1578 O LYS A 128 5.010 -5.707 7.232 1.00 0.44 O ATOM 1579 CB LYS A 128 7.695 -6.938 6.089 1.00 0.57 C ATOM 1580 CG LYS A 128 7.163 -8.380 6.217 1.00 0.99 C ATOM 1581 CD LYS A 128 8.227 -9.323 6.777 1.00 0.90 C ATOM 1582 CE LYS A 128 7.680 -10.750 6.915 1.00 0.94 C ATOM 1583 NZ LYS A 128 8.786 -11.680 7.245 1.00 1.29 N ATOM 0 H LYS A 128 7.821 -4.469 6.393 1.00 0.43 H new ATOM 0 HA LYS A 128 6.544 -6.183 4.429 1.00 0.43 H new ATOM 0 HB2 LYS A 128 8.589 -6.941 5.465 1.00 0.57 H new ATOM 0 HB3 LYS A 128 7.995 -6.580 7.074 1.00 0.57 H new ATOM 0 HG2 LYS A 128 6.288 -8.390 6.867 1.00 0.99 H new ATOM 0 HG3 LYS A 128 6.837 -8.737 5.240 1.00 0.99 H new ATOM 0 HD2 LYS A 128 9.097 -9.325 6.121 1.00 0.90 H new ATOM 0 HD3 LYS A 128 8.562 -8.963 7.750 1.00 0.90 H new ATOM 0 HE2 LYS A 128 6.919 -10.784 7.694 1.00 0.94 H new ATOM 0 HE3 LYS A 128 7.199 -11.057 5.986 1.00 0.94 H new ATOM 0 HZ1 LYS A 128 8.411 -12.646 7.338 1.00 1.29 H new ATOM 0 HZ2 LYS A 128 9.498 -11.656 6.487 1.00 1.29 H new ATOM 0 HZ3 LYS A 128 9.226 -11.392 8.142 1.00 1.29 H new ATOM 1597 N PHE A 129 4.407 -6.840 5.379 1.00 0.34 N ATOM 1598 CA PHE A 129 3.070 -7.273 5.785 1.00 0.34 C ATOM 1599 C PHE A 129 2.960 -8.791 5.555 1.00 0.38 C ATOM 1600 O PHE A 129 3.183 -9.274 4.445 1.00 0.39 O ATOM 1601 CB PHE A 129 2.007 -6.487 4.987 1.00 0.33 C ATOM 1602 CG PHE A 129 1.731 -5.062 5.458 1.00 0.34 C ATOM 1603 CD1 PHE A 129 2.756 -4.102 5.541 1.00 1.53 C ATOM 1604 CD2 PHE A 129 0.424 -4.681 5.816 1.00 1.76 C ATOM 1605 CE1 PHE A 129 2.497 -2.822 6.050 1.00 1.49 C ATOM 1606 CE2 PHE A 129 0.152 -3.384 6.291 1.00 1.83 C ATOM 1607 CZ PHE A 129 1.192 -2.451 6.404 1.00 0.50 C ATOM 0 H PHE A 129 4.631 -7.135 4.429 1.00 0.34 H new ATOM 0 HA PHE A 129 2.897 -7.070 6.842 1.00 0.34 H new ATOM 0 HB2 PHE A 129 2.320 -6.449 3.944 1.00 0.33 H new ATOM 0 HB3 PHE A 129 1.072 -7.046 5.019 1.00 0.33 H new ATOM 0 HD1 PHE A 129 3.752 -4.354 5.209 1.00 1.53 H new ATOM 0 HD2 PHE A 129 -0.382 -5.394 5.725 1.00 1.76 H new ATOM 0 HE1 PHE A 129 3.307 -2.118 6.170 1.00 1.49 H new ATOM 0 HE2 PHE A 129 -0.855 -3.109 6.568 1.00 1.83 H new ATOM 0 HZ PHE A 129 0.989 -1.452 6.762 1.00 0.50 H new ATOM 1617 N ASN A 130 2.641 -9.565 6.593 1.00 0.47 N ATOM 1618 CA ASN A 130 2.444 -11.014 6.483 1.00 0.55 C ATOM 1619 C ASN A 130 1.129 -11.339 5.729 1.00 0.63 C ATOM 1620 O ASN A 130 0.067 -10.840 6.090 1.00 1.02 O ATOM 1621 CB ASN A 130 2.415 -11.576 7.918 1.00 0.87 C ATOM 1622 CG ASN A 130 2.040 -13.045 7.976 1.00 1.23 C ATOM 1623 OD1 ASN A 130 2.342 -13.819 7.080 1.00 2.01 O ATOM 1624 ND2 ASN A 130 1.359 -13.469 9.011 1.00 1.57 N ATOM 0 H ASN A 130 2.511 -9.205 7.538 1.00 0.47 H new ATOM 0 HA ASN A 130 3.252 -11.470 5.910 1.00 0.55 H new ATOM 0 HB2 ASN A 130 3.395 -11.439 8.375 1.00 0.87 H new ATOM 0 HB3 ASN A 130 1.704 -11.002 8.512 1.00 0.87 H new ATOM 0 HD21 ASN A 130 1.079 -14.448 9.071 1.00 1.57 H new ATOM 0 HD22 ASN A 130 1.109 -12.820 9.757 1.00 1.57 H new ATOM 1631 N THR A 131 1.173 -12.212 4.724 1.00 0.46 N ATOM 1632 CA THR A 131 0.011 -12.689 3.942 1.00 0.53 C ATOM 1633 C THR A 131 -0.243 -14.197 4.085 1.00 0.62 C ATOM 1634 O THR A 131 -1.134 -14.739 3.426 1.00 0.89 O ATOM 1635 CB THR A 131 0.130 -12.301 2.455 1.00 0.54 C ATOM 1636 OG1 THR A 131 1.367 -12.694 1.898 1.00 0.57 O ATOM 1637 CG2 THR A 131 0.024 -10.789 2.271 1.00 0.52 C ATOM 0 H THR A 131 2.050 -12.629 4.412 1.00 0.46 H new ATOM 0 HA THR A 131 -0.855 -12.183 4.368 1.00 0.53 H new ATOM 0 HB THR A 131 -0.687 -12.817 1.951 1.00 0.54 H new ATOM 0 HG1 THR A 131 1.400 -12.430 0.955 1.00 0.57 H new ATOM 0 HG21 THR A 131 0.111 -10.544 1.212 1.00 0.52 H new ATOM 0 HG22 THR A 131 -0.940 -10.444 2.645 1.00 0.52 H new ATOM 0 HG23 THR A 131 0.825 -10.298 2.824 1.00 0.52 H new ATOM 1645 N ALA A 132 0.493 -14.893 4.958 1.00 0.50 N ATOM 1646 CA ALA A 132 0.382 -16.335 5.196 1.00 0.56 C ATOM 1647 C ALA A 132 -0.996 -16.784 5.735 1.00 0.74 C ATOM 1648 O ALA A 132 -1.349 -17.964 5.636 1.00 0.89 O ATOM 1649 CB ALA A 132 1.490 -16.714 6.189 1.00 0.53 C ATOM 0 H ALA A 132 1.207 -14.452 5.538 1.00 0.50 H new ATOM 0 HA ALA A 132 0.490 -16.848 4.240 1.00 0.56 H new ATOM 0 HB1 ALA A 132 1.444 -17.783 6.395 1.00 0.53 H new ATOM 0 HB2 ALA A 132 2.462 -16.469 5.761 1.00 0.53 H new ATOM 0 HB3 ALA A 132 1.352 -16.159 7.117 1.00 0.53 H new ATOM 1655 N ASN A 133 -1.763 -15.854 6.317 1.00 0.88 N ATOM 1656 CA ASN A 133 -3.011 -16.136 7.036 1.00 1.06 C ATOM 1657 C ASN A 133 -4.263 -15.593 6.317 1.00 0.97 C ATOM 1658 O ASN A 133 -5.379 -16.000 6.654 1.00 1.14 O ATOM 1659 CB ASN A 133 -2.889 -15.593 8.473 1.00 1.21 C ATOM 1660 CG ASN A 133 -1.688 -16.086 9.255 1.00 1.40 C ATOM 1661 OD1 ASN A 133 -0.961 -16.991 8.873 1.00 2.49 O ATOM 1662 ND2 ASN A 133 -1.388 -15.463 10.363 1.00 1.40 N ATOM 0 H ASN A 133 -1.527 -14.862 6.301 1.00 0.88 H new ATOM 0 HA ASN A 133 -3.153 -17.216 7.064 1.00 1.06 H new ATOM 0 HB2 ASN A 133 -2.851 -14.505 8.430 1.00 1.21 H new ATOM 0 HB3 ASN A 133 -3.793 -15.859 9.022 1.00 1.21 H new ATOM 0 HD21 ASN A 133 -0.560 -15.735 10.893 1.00 1.40 H new ATOM 0 HD22 ASN A 133 -1.982 -14.705 10.699 1.00 1.40 H new ATOM 1669 N LEU A 134 -4.110 -14.706 5.319 1.00 0.75 N ATOM 1670 CA LEU A 134 -5.214 -14.285 4.465 1.00 0.75 C ATOM 1671 C LEU A 134 -5.646 -15.388 3.486 1.00 0.88 C ATOM 1672 O LEU A 134 -4.793 -16.064 2.904 1.00 0.96 O ATOM 1673 CB LEU A 134 -4.841 -13.040 3.636 1.00 0.62 C ATOM 1674 CG LEU A 134 -4.883 -11.665 4.313 1.00 0.55 C ATOM 1675 CD1 LEU A 134 -5.949 -11.551 5.401 1.00 0.61 C ATOM 1676 CD2 LEU A 134 -3.515 -11.274 4.843 1.00 0.52 C ATOM 0 H LEU A 134 -3.218 -14.267 5.089 1.00 0.75 H new ATOM 0 HA LEU A 134 -6.038 -14.057 5.141 1.00 0.75 H new ATOM 0 HB2 LEU A 134 -3.832 -13.189 3.252 1.00 0.62 H new ATOM 0 HB3 LEU A 134 -5.508 -13.005 2.774 1.00 0.62 H new ATOM 0 HG LEU A 134 -5.172 -10.957 3.536 1.00 0.55 H new ATOM 0 HD11 LEU A 134 -5.920 -10.552 5.835 1.00 0.61 H new ATOM 0 HD12 LEU A 134 -6.933 -11.730 4.967 1.00 0.61 H new ATOM 0 HD13 LEU A 134 -5.756 -12.290 6.178 1.00 0.61 H new ATOM 0 HD21 LEU A 134 -3.575 -10.295 5.318 1.00 0.52 H new ATOM 0 HD22 LEU A 134 -3.183 -12.012 5.574 1.00 0.52 H new ATOM 0 HD23 LEU A 134 -2.803 -11.234 4.019 1.00 0.52 H new ATOM 1688 N PRO A 135 -6.955 -15.519 3.218 1.00 0.95 N ATOM 1689 CA PRO A 135 -7.449 -16.343 2.127 1.00 1.07 C ATOM 1690 C PRO A 135 -7.290 -15.633 0.772 1.00 1.03 C ATOM 1691 O PRO A 135 -7.110 -14.411 0.697 1.00 0.89 O ATOM 1692 CB PRO A 135 -8.911 -16.622 2.456 1.00 1.17 C ATOM 1693 CG PRO A 135 -9.339 -15.388 3.259 1.00 1.04 C ATOM 1694 CD PRO A 135 -8.057 -14.907 3.947 1.00 0.95 C ATOM 0 HA PRO A 135 -6.883 -17.270 2.033 1.00 1.07 H new ATOM 0 HB2 PRO A 135 -9.510 -16.741 1.553 1.00 1.17 H new ATOM 0 HB3 PRO A 135 -9.024 -17.538 3.036 1.00 1.17 H new ATOM 0 HG2 PRO A 135 -9.753 -14.617 2.609 1.00 1.04 H new ATOM 0 HG3 PRO A 135 -10.110 -15.638 3.988 1.00 1.04 H new ATOM 0 HD2 PRO A 135 -7.985 -13.820 3.922 1.00 0.95 H new ATOM 0 HD3 PRO A 135 -8.043 -15.203 4.996 1.00 0.95 H new ATOM 1702 N ALA A 136 -7.392 -16.420 -0.298 1.00 1.17 N ATOM 1703 CA ALA A 136 -7.094 -16.108 -1.700 1.00 1.25 C ATOM 1704 C ALA A 136 -8.069 -15.126 -2.399 1.00 1.53 C ATOM 1705 O ALA A 136 -8.627 -15.416 -3.461 1.00 2.33 O ATOM 1706 CB ALA A 136 -7.047 -17.465 -2.395 1.00 1.31 C ATOM 0 H ALA A 136 -7.715 -17.382 -0.199 1.00 1.17 H new ATOM 0 HA ALA A 136 -6.155 -15.558 -1.758 1.00 1.25 H new ATOM 0 HB1 ALA A 136 -6.828 -17.324 -3.454 1.00 1.31 H new ATOM 0 HB2 ALA A 136 -6.268 -18.079 -1.942 1.00 1.31 H new ATOM 0 HB3 ALA A 136 -8.011 -17.963 -2.287 1.00 1.31 H new ATOM 1712 N ALA A 137 -8.272 -13.962 -1.798 1.00 0.96 N ATOM 1713 CA ALA A 137 -9.281 -12.959 -2.144 1.00 0.94 C ATOM 1714 C ALA A 137 -8.662 -11.620 -2.605 1.00 0.83 C ATOM 1715 O ALA A 137 -7.434 -11.467 -2.640 1.00 0.80 O ATOM 1716 CB ALA A 137 -10.186 -12.798 -0.911 1.00 0.93 C ATOM 0 H ALA A 137 -7.702 -13.670 -1.004 1.00 0.96 H new ATOM 0 HA ALA A 137 -9.863 -13.291 -3.003 1.00 0.94 H new ATOM 0 HB1 ALA A 137 -10.958 -12.057 -1.120 1.00 0.93 H new ATOM 0 HB2 ALA A 137 -10.655 -13.754 -0.676 1.00 0.93 H new ATOM 0 HB3 ALA A 137 -9.588 -12.469 -0.061 1.00 0.93 H new ATOM 1722 N LYS A 138 -9.519 -10.641 -2.935 1.00 0.78 N ATOM 1723 CA LYS A 138 -9.137 -9.240 -3.186 1.00 0.68 C ATOM 1724 C LYS A 138 -9.182 -8.390 -1.907 1.00 0.55 C ATOM 1725 O LYS A 138 -10.012 -8.600 -1.018 1.00 0.57 O ATOM 1726 CB LYS A 138 -9.982 -8.627 -4.319 1.00 0.75 C ATOM 1727 CG LYS A 138 -9.643 -9.241 -5.690 1.00 0.83 C ATOM 1728 CD LYS A 138 -10.524 -8.711 -6.833 1.00 1.07 C ATOM 1729 CE LYS A 138 -10.281 -7.221 -7.098 1.00 2.61 C ATOM 1730 NZ LYS A 138 -11.026 -6.733 -8.282 1.00 3.13 N ATOM 0 H LYS A 138 -10.521 -10.804 -3.037 1.00 0.78 H new ATOM 0 HA LYS A 138 -8.099 -9.241 -3.518 1.00 0.68 H new ATOM 0 HB2 LYS A 138 -11.040 -8.780 -4.105 1.00 0.75 H new ATOM 0 HB3 LYS A 138 -9.816 -7.550 -4.353 1.00 0.75 H new ATOM 0 HG2 LYS A 138 -8.598 -9.037 -5.923 1.00 0.83 H new ATOM 0 HG3 LYS A 138 -9.751 -10.324 -5.631 1.00 0.83 H new ATOM 0 HD2 LYS A 138 -10.321 -9.279 -7.741 1.00 1.07 H new ATOM 0 HD3 LYS A 138 -11.574 -8.869 -6.586 1.00 1.07 H new ATOM 0 HE2 LYS A 138 -10.578 -6.645 -6.222 1.00 2.61 H new ATOM 0 HE3 LYS A 138 -9.215 -7.049 -7.246 1.00 2.61 H new ATOM 0 HZ1 LYS A 138 -11.173 -5.707 -8.201 1.00 3.13 H new ATOM 0 HZ2 LYS A 138 -10.481 -6.938 -9.144 1.00 3.13 H new ATOM 0 HZ3 LYS A 138 -11.948 -7.212 -8.334 1.00 3.13 H new ATOM 1744 N TYR A 139 -8.298 -7.400 -1.853 1.00 0.50 N ATOM 1745 CA TYR A 139 -8.020 -6.492 -0.738 1.00 0.43 C ATOM 1746 C TYR A 139 -7.695 -5.088 -1.272 1.00 0.41 C ATOM 1747 O TYR A 139 -7.550 -4.881 -2.482 1.00 0.47 O ATOM 1748 CB TYR A 139 -6.835 -7.037 0.084 1.00 0.42 C ATOM 1749 CG TYR A 139 -7.057 -8.412 0.677 1.00 0.45 C ATOM 1750 CD1 TYR A 139 -6.718 -9.557 -0.070 1.00 0.51 C ATOM 1751 CD2 TYR A 139 -7.627 -8.546 1.957 1.00 0.46 C ATOM 1752 CE1 TYR A 139 -6.997 -10.837 0.442 1.00 0.56 C ATOM 1753 CE2 TYR A 139 -7.893 -9.830 2.473 1.00 0.51 C ATOM 1754 CZ TYR A 139 -7.598 -10.970 1.705 1.00 0.55 C ATOM 1755 OH TYR A 139 -7.922 -12.193 2.182 1.00 0.63 O ATOM 0 H TYR A 139 -7.705 -7.191 -2.656 1.00 0.50 H new ATOM 0 HA TYR A 139 -8.899 -6.425 -0.097 1.00 0.43 H new ATOM 0 HB2 TYR A 139 -5.952 -7.070 -0.554 1.00 0.42 H new ATOM 0 HB3 TYR A 139 -6.619 -6.338 0.892 1.00 0.42 H new ATOM 0 HD1 TYR A 139 -6.244 -9.452 -1.035 1.00 0.51 H new ATOM 0 HD2 TYR A 139 -7.860 -7.668 2.541 1.00 0.46 H new ATOM 0 HE1 TYR A 139 -6.750 -11.716 -0.135 1.00 0.56 H new ATOM 0 HE2 TYR A 139 -8.323 -9.938 3.458 1.00 0.51 H new ATOM 0 HH TYR A 139 -7.569 -12.882 1.581 1.00 0.63 H new ATOM 1765 N LYS A 140 -7.569 -4.119 -0.363 1.00 0.36 N ATOM 1766 CA LYS A 140 -7.135 -2.742 -0.676 1.00 0.35 C ATOM 1767 C LYS A 140 -6.217 -2.147 0.396 1.00 0.32 C ATOM 1768 O LYS A 140 -6.382 -2.448 1.577 1.00 0.40 O ATOM 1769 CB LYS A 140 -8.345 -1.812 -0.892 1.00 0.40 C ATOM 1770 CG LYS A 140 -9.147 -2.093 -2.161 1.00 0.49 C ATOM 1771 CD LYS A 140 -10.343 -1.143 -2.281 1.00 0.56 C ATOM 1772 CE LYS A 140 -11.164 -1.657 -3.464 1.00 0.76 C ATOM 1773 NZ LYS A 140 -12.491 -1.014 -3.604 1.00 1.77 N ATOM 0 H LYS A 140 -7.767 -4.264 0.627 1.00 0.36 H new ATOM 0 HA LYS A 140 -6.561 -2.814 -1.600 1.00 0.35 H new ATOM 0 HB2 LYS A 140 -9.010 -1.897 -0.032 1.00 0.40 H new ATOM 0 HB3 LYS A 140 -7.993 -0.781 -0.922 1.00 0.40 H new ATOM 0 HG2 LYS A 140 -8.503 -1.983 -3.033 1.00 0.49 H new ATOM 0 HG3 LYS A 140 -9.498 -3.125 -2.152 1.00 0.49 H new ATOM 0 HD2 LYS A 140 -10.935 -1.141 -1.366 1.00 0.56 H new ATOM 0 HD3 LYS A 140 -10.013 -0.118 -2.450 1.00 0.56 H new ATOM 0 HE2 LYS A 140 -10.597 -1.499 -4.382 1.00 0.76 H new ATOM 0 HE3 LYS A 140 -11.303 -2.733 -3.356 1.00 0.76 H new ATOM 0 HZ1 LYS A 140 -12.877 -1.217 -4.548 1.00 1.77 H new ATOM 0 HZ2 LYS A 140 -13.136 -1.387 -2.878 1.00 1.77 H new ATOM 0 HZ3 LYS A 140 -12.393 0.014 -3.484 1.00 1.77 H new ATOM 1787 N ILE A 141 -5.307 -1.253 0.004 1.00 0.29 N ATOM 1788 CA ILE A 141 -4.461 -0.468 0.925 1.00 0.28 C ATOM 1789 C ILE A 141 -4.942 0.989 0.981 1.00 0.30 C ATOM 1790 O ILE A 141 -5.274 1.576 -0.052 1.00 0.36 O ATOM 1791 CB ILE A 141 -2.955 -0.576 0.574 1.00 0.33 C ATOM 1792 CG1 ILE A 141 -2.432 -2.032 0.613 1.00 0.39 C ATOM 1793 CG2 ILE A 141 -2.084 0.234 1.550 1.00 0.30 C ATOM 1794 CD1 ILE A 141 -2.516 -2.733 -0.741 1.00 0.46 C ATOM 0 H ILE A 141 -5.129 -1.046 -0.979 1.00 0.29 H new ATOM 0 HA ILE A 141 -4.566 -0.894 1.923 1.00 0.28 H new ATOM 0 HB ILE A 141 -2.878 -0.182 -0.439 1.00 0.33 H new ATOM 0 HG12 ILE A 141 -1.396 -2.031 0.952 1.00 0.39 H new ATOM 0 HG13 ILE A 141 -3.006 -2.599 1.346 1.00 0.39 H new ATOM 0 HG21 ILE A 141 -1.035 0.133 1.271 1.00 0.30 H new ATOM 0 HG22 ILE A 141 -2.371 1.285 1.508 1.00 0.30 H new ATOM 0 HG23 ILE A 141 -2.228 -0.141 2.563 1.00 0.30 H new ATOM 0 HD11 ILE A 141 -2.135 -3.750 -0.648 1.00 0.46 H new ATOM 0 HD12 ILE A 141 -3.554 -2.763 -1.071 1.00 0.46 H new ATOM 0 HD13 ILE A 141 -1.919 -2.187 -1.471 1.00 0.46 H new ATOM 1806 N TYR A 142 -4.949 1.566 2.188 1.00 0.29 N ATOM 1807 CA TYR A 142 -5.332 2.951 2.483 1.00 0.34 C ATOM 1808 C TYR A 142 -4.200 3.668 3.238 1.00 0.36 C ATOM 1809 O TYR A 142 -3.685 3.144 4.223 1.00 0.38 O ATOM 1810 CB TYR A 142 -6.655 2.948 3.272 1.00 0.36 C ATOM 1811 CG TYR A 142 -7.873 2.775 2.387 1.00 0.35 C ATOM 1812 CD1 TYR A 142 -8.217 1.513 1.860 1.00 1.74 C ATOM 1813 CD2 TYR A 142 -8.636 3.906 2.047 1.00 1.82 C ATOM 1814 CE1 TYR A 142 -9.284 1.394 0.956 1.00 1.71 C ATOM 1815 CE2 TYR A 142 -9.709 3.789 1.148 1.00 1.84 C ATOM 1816 CZ TYR A 142 -10.008 2.538 0.574 1.00 0.39 C ATOM 1817 OH TYR A 142 -10.975 2.436 -0.368 1.00 0.54 O ATOM 0 H TYR A 142 -4.674 1.054 3.027 1.00 0.29 H new ATOM 0 HA TYR A 142 -5.491 3.505 1.558 1.00 0.34 H new ATOM 0 HB2 TYR A 142 -6.631 2.144 4.008 1.00 0.36 H new ATOM 0 HB3 TYR A 142 -6.744 3.883 3.824 1.00 0.36 H new ATOM 0 HD1 TYR A 142 -7.658 0.636 2.153 1.00 1.74 H new ATOM 0 HD2 TYR A 142 -8.397 4.867 2.478 1.00 1.82 H new ATOM 0 HE1 TYR A 142 -9.548 0.427 0.555 1.00 1.71 H new ATOM 0 HE2 TYR A 142 -10.303 4.656 0.898 1.00 1.84 H new ATOM 0 HH TYR A 142 -11.676 1.828 -0.053 1.00 0.54 H new ATOM 1827 N GLU A 143 -3.797 4.858 2.785 1.00 0.41 N ATOM 1828 CA GLU A 143 -2.714 5.658 3.388 1.00 0.46 C ATOM 1829 C GLU A 143 -3.290 6.647 4.411 1.00 0.50 C ATOM 1830 O GLU A 143 -4.083 7.511 4.042 1.00 0.70 O ATOM 1831 CB GLU A 143 -1.934 6.383 2.276 1.00 0.55 C ATOM 1832 CG GLU A 143 -0.711 7.138 2.806 1.00 0.71 C ATOM 1833 CD GLU A 143 -0.004 7.903 1.682 1.00 0.85 C ATOM 1834 OE1 GLU A 143 0.795 7.281 0.945 1.00 1.66 O ATOM 1835 OE2 GLU A 143 -0.243 9.128 1.536 1.00 2.08 O ATOM 0 H GLU A 143 -4.220 5.306 1.972 1.00 0.41 H new ATOM 0 HA GLU A 143 -2.024 5.002 3.920 1.00 0.46 H new ATOM 0 HB2 GLU A 143 -1.612 5.656 1.531 1.00 0.55 H new ATOM 0 HB3 GLU A 143 -2.598 7.085 1.771 1.00 0.55 H new ATOM 0 HG2 GLU A 143 -1.020 7.834 3.586 1.00 0.71 H new ATOM 0 HG3 GLU A 143 -0.016 6.434 3.264 1.00 0.71 H new ATOM 1842 N ILE A 144 -2.902 6.551 5.684 1.00 0.57 N ATOM 1843 CA ILE A 144 -3.520 7.319 6.778 1.00 0.56 C ATOM 1844 C ILE A 144 -2.484 8.268 7.390 1.00 0.59 C ATOM 1845 O ILE A 144 -1.565 7.850 8.092 1.00 0.65 O ATOM 1846 CB ILE A 144 -4.135 6.346 7.814 1.00 0.58 C ATOM 1847 CG1 ILE A 144 -5.146 5.343 7.202 1.00 0.57 C ATOM 1848 CG2 ILE A 144 -4.797 7.122 8.964 1.00 0.67 C ATOM 1849 CD1 ILE A 144 -6.368 5.952 6.498 1.00 0.60 C ATOM 0 H ILE A 144 -2.148 5.937 5.991 1.00 0.57 H new ATOM 0 HA ILE A 144 -4.334 7.937 6.399 1.00 0.56 H new ATOM 0 HB ILE A 144 -3.302 5.756 8.197 1.00 0.58 H new ATOM 0 HG12 ILE A 144 -4.615 4.717 6.485 1.00 0.57 H new ATOM 0 HG13 ILE A 144 -5.501 4.687 7.997 1.00 0.57 H new ATOM 0 HG21 ILE A 144 -5.222 6.419 9.680 1.00 0.67 H new ATOM 0 HG22 ILE A 144 -4.051 7.741 9.463 1.00 0.67 H new ATOM 0 HG23 ILE A 144 -5.588 7.758 8.566 1.00 0.67 H new ATOM 0 HD11 ILE A 144 -7.001 5.153 6.112 1.00 0.60 H new ATOM 0 HD12 ILE A 144 -6.935 6.553 7.209 1.00 0.60 H new ATOM 0 HD13 ILE A 144 -6.036 6.583 5.673 1.00 0.60 H new ATOM 1861 N HIS A 145 -2.658 9.573 7.183 1.00 0.78 N ATOM 1862 CA HIS A 145 -1.641 10.578 7.511 1.00 0.89 C ATOM 1863 C HIS A 145 -1.595 10.943 9.010 1.00 0.84 C ATOM 1864 O HIS A 145 -0.593 11.477 9.493 1.00 1.08 O ATOM 1865 CB HIS A 145 -1.866 11.794 6.601 1.00 1.33 C ATOM 1866 CG HIS A 145 -0.673 12.706 6.493 1.00 1.82 C ATOM 1867 ND1 HIS A 145 -0.386 13.768 7.316 1.00 3.02 N ATOM 1868 CD2 HIS A 145 0.305 12.661 5.535 1.00 2.49 C ATOM 1869 CE1 HIS A 145 0.743 14.346 6.876 1.00 3.98 C ATOM 1870 NE2 HIS A 145 1.197 13.713 5.778 1.00 3.73 N ATOM 0 H HIS A 145 -3.509 9.966 6.782 1.00 0.78 H new ATOM 0 HA HIS A 145 -0.653 10.159 7.322 1.00 0.89 H new ATOM 0 HB2 HIS A 145 -2.135 11.444 5.604 1.00 1.33 H new ATOM 0 HB3 HIS A 145 -2.714 12.365 6.978 1.00 1.33 H new ATOM 0 HD2 HIS A 145 0.376 11.941 4.733 1.00 2.49 H new ATOM 0 HE1 HIS A 145 1.220 15.198 7.338 1.00 3.98 H new ATOM 0 HE2 HIS A 145 2.025 13.952 5.232 1.00 3.73 H new ATOM 1878 N SER A 146 -2.623 10.593 9.790 1.00 0.81 N ATOM 1879 CA SER A 146 -2.714 10.921 11.222 1.00 0.92 C ATOM 1880 C SER A 146 -1.680 10.224 12.122 1.00 0.93 C ATOM 1881 O SER A 146 -1.454 10.689 13.238 1.00 1.18 O ATOM 1882 CB SER A 146 -4.144 10.722 11.742 1.00 1.12 C ATOM 1883 OG SER A 146 -4.738 9.532 11.251 1.00 1.74 O ATOM 0 H SER A 146 -3.426 10.068 9.444 1.00 0.81 H new ATOM 0 HA SER A 146 -2.455 11.978 11.286 1.00 0.92 H new ATOM 0 HB2 SER A 146 -4.131 10.695 12.832 1.00 1.12 H new ATOM 0 HB3 SER A 146 -4.755 11.576 11.452 1.00 1.12 H new ATOM 0 HG SER A 146 -5.646 9.447 11.610 1.00 1.74 H new ATOM 2086 N LYS A 162 -1.810 14.192 -2.424 1.00 1.25 N ATOM 2087 CA LYS A 162 -2.353 13.120 -1.565 1.00 1.40 C ATOM 2088 C LYS A 162 -2.306 11.755 -2.260 1.00 1.15 C ATOM 2089 O LYS A 162 -2.172 11.692 -3.482 1.00 1.28 O ATOM 2090 CB LYS A 162 -3.754 13.517 -1.055 1.00 1.80 C ATOM 2091 CG LYS A 162 -4.849 13.763 -2.113 1.00 1.72 C ATOM 2092 CD LYS A 162 -5.460 12.460 -2.645 1.00 1.64 C ATOM 2093 CE LYS A 162 -6.475 12.631 -3.769 1.00 1.70 C ATOM 2094 NZ LYS A 162 -7.681 13.395 -3.356 1.00 2.34 N ATOM 0 HA LYS A 162 -1.718 13.005 -0.687 1.00 1.40 H new ATOM 0 HB2 LYS A 162 -4.104 12.732 -0.384 1.00 1.80 H new ATOM 0 HB3 LYS A 162 -3.651 14.424 -0.459 1.00 1.80 H new ATOM 0 HG2 LYS A 162 -5.637 14.378 -1.679 1.00 1.72 H new ATOM 0 HG3 LYS A 162 -4.426 14.327 -2.944 1.00 1.72 H new ATOM 0 HD2 LYS A 162 -4.654 11.818 -3.000 1.00 1.64 H new ATOM 0 HD3 LYS A 162 -5.942 11.939 -1.818 1.00 1.64 H new ATOM 0 HE2 LYS A 162 -5.998 13.141 -4.606 1.00 1.70 H new ATOM 0 HE3 LYS A 162 -6.780 11.648 -4.127 1.00 1.70 H new ATOM 0 HZ1 LYS A 162 -8.333 13.478 -4.162 1.00 2.34 H new ATOM 0 HZ2 LYS A 162 -8.157 12.898 -2.576 1.00 2.34 H new ATOM 0 HZ3 LYS A 162 -7.399 14.345 -3.040 1.00 2.34 H new ATOM 2108 N ALA A 163 -2.462 10.659 -1.521 1.00 0.94 N ATOM 2109 CA ALA A 163 -2.573 9.322 -2.114 1.00 0.76 C ATOM 2110 C ALA A 163 -4.018 8.857 -2.345 1.00 0.77 C ATOM 2111 O ALA A 163 -4.966 9.320 -1.705 1.00 0.89 O ATOM 2112 CB ALA A 163 -1.751 8.314 -1.301 1.00 0.79 C ATOM 0 H ALA A 163 -2.515 10.668 -0.502 1.00 0.94 H new ATOM 0 HA ALA A 163 -2.151 9.384 -3.117 1.00 0.76 H new ATOM 0 HB1 ALA A 163 -1.841 7.325 -1.750 1.00 0.79 H new ATOM 0 HB2 ALA A 163 -0.704 8.617 -1.297 1.00 0.79 H new ATOM 0 HB3 ALA A 163 -2.123 8.283 -0.277 1.00 0.79 H new ATOM 2118 N VAL A 164 -4.155 7.924 -3.289 1.00 0.72 N ATOM 2119 CA VAL A 164 -5.412 7.290 -3.716 1.00 0.69 C ATOM 2120 C VAL A 164 -5.352 5.769 -3.491 1.00 0.60 C ATOM 2121 O VAL A 164 -4.261 5.197 -3.488 1.00 0.65 O ATOM 2122 CB VAL A 164 -5.797 7.677 -5.160 1.00 0.78 C ATOM 2123 CG1 VAL A 164 -6.539 9.015 -5.132 1.00 0.92 C ATOM 2124 CG2 VAL A 164 -4.607 7.831 -6.113 1.00 0.84 C ATOM 0 H VAL A 164 -3.351 7.569 -3.806 1.00 0.72 H new ATOM 0 HA VAL A 164 -6.218 7.674 -3.091 1.00 0.69 H new ATOM 0 HB VAL A 164 -6.409 6.857 -5.536 1.00 0.78 H new ATOM 0 HG11 VAL A 164 -6.816 9.299 -6.147 1.00 0.92 H new ATOM 0 HG12 VAL A 164 -7.438 8.920 -4.524 1.00 0.92 H new ATOM 0 HG13 VAL A 164 -5.892 9.781 -4.705 1.00 0.92 H new ATOM 0 HG21 VAL A 164 -4.968 8.104 -7.105 1.00 0.84 H new ATOM 0 HG22 VAL A 164 -3.942 8.611 -5.742 1.00 0.84 H new ATOM 0 HG23 VAL A 164 -4.063 6.888 -6.171 1.00 0.84 H new ATOM 2134 N PRO A 165 -6.492 5.097 -3.243 1.00 0.54 N ATOM 2135 CA PRO A 165 -6.500 3.716 -2.757 1.00 0.53 C ATOM 2136 C PRO A 165 -6.110 2.683 -3.824 1.00 0.54 C ATOM 2137 O PRO A 165 -6.417 2.828 -5.013 1.00 0.63 O ATOM 2138 CB PRO A 165 -7.892 3.506 -2.157 1.00 0.55 C ATOM 2139 CG PRO A 165 -8.777 4.477 -2.939 1.00 0.59 C ATOM 2140 CD PRO A 165 -7.846 5.635 -3.298 1.00 0.58 C ATOM 0 HA PRO A 165 -5.728 3.558 -2.004 1.00 0.53 H new ATOM 0 HB2 PRO A 165 -8.227 2.476 -2.275 1.00 0.55 H new ATOM 0 HB3 PRO A 165 -7.904 3.725 -1.089 1.00 0.55 H new ATOM 0 HG2 PRO A 165 -9.190 4.007 -3.832 1.00 0.59 H new ATOM 0 HG3 PRO A 165 -9.621 4.817 -2.339 1.00 0.59 H new ATOM 0 HD2 PRO A 165 -8.071 6.023 -4.292 1.00 0.58 H new ATOM 0 HD3 PRO A 165 -7.965 6.462 -2.598 1.00 0.58 H new ATOM 2148 N ILE A 166 -5.423 1.624 -3.389 1.00 0.51 N ATOM 2149 CA ILE A 166 -4.794 0.618 -4.260 1.00 0.54 C ATOM 2150 C ILE A 166 -5.491 -0.732 -4.092 1.00 0.46 C ATOM 2151 O ILE A 166 -5.567 -1.240 -2.976 1.00 0.48 O ATOM 2152 CB ILE A 166 -3.274 0.473 -3.984 1.00 0.66 C ATOM 2153 CG1 ILE A 166 -2.534 1.817 -3.784 1.00 0.84 C ATOM 2154 CG2 ILE A 166 -2.614 -0.305 -5.136 1.00 0.71 C ATOM 2155 CD1 ILE A 166 -2.451 2.219 -2.304 1.00 1.47 C ATOM 0 H ILE A 166 -5.283 1.434 -2.397 1.00 0.51 H new ATOM 0 HA ILE A 166 -4.907 0.961 -5.289 1.00 0.54 H new ATOM 0 HB ILE A 166 -3.188 -0.067 -3.041 1.00 0.66 H new ATOM 0 HG12 ILE A 166 -1.527 1.740 -4.195 1.00 0.84 H new ATOM 0 HG13 ILE A 166 -3.048 2.599 -4.343 1.00 0.84 H new ATOM 0 HG21 ILE A 166 -1.546 -0.407 -4.942 1.00 0.71 H new ATOM 0 HG22 ILE A 166 -3.065 -1.295 -5.212 1.00 0.71 H new ATOM 0 HG23 ILE A 166 -2.763 0.234 -6.071 1.00 0.71 H new ATOM 0 HD11 ILE A 166 -1.923 3.168 -2.214 1.00 1.47 H new ATOM 0 HD12 ILE A 166 -3.457 2.323 -1.898 1.00 1.47 H new ATOM 0 HD13 ILE A 166 -1.913 1.451 -1.748 1.00 1.47 H new ATOM 2167 N GLU A 167 -5.965 -1.323 -5.189 1.00 0.56 N ATOM 2168 CA GLU A 167 -6.552 -2.670 -5.226 1.00 0.56 C ATOM 2169 C GLU A 167 -5.470 -3.752 -5.403 1.00 0.58 C ATOM 2170 O GLU A 167 -4.530 -3.566 -6.185 1.00 0.70 O ATOM 2171 CB GLU A 167 -7.588 -2.700 -6.361 1.00 0.73 C ATOM 2172 CG GLU A 167 -8.442 -3.970 -6.418 1.00 1.42 C ATOM 2173 CD GLU A 167 -9.411 -3.908 -7.605 1.00 1.86 C ATOM 2174 OE1 GLU A 167 -8.949 -3.801 -8.767 1.00 2.53 O ATOM 2175 OE2 GLU A 167 -10.647 -3.990 -7.381 1.00 2.81 O ATOM 0 H GLU A 167 -5.953 -0.869 -6.102 1.00 0.56 H new ATOM 0 HA GLU A 167 -7.042 -2.893 -4.278 1.00 0.56 H new ATOM 0 HB2 GLU A 167 -8.248 -1.840 -6.254 1.00 0.73 H new ATOM 0 HB3 GLU A 167 -7.068 -2.586 -7.312 1.00 0.73 H new ATOM 0 HG2 GLU A 167 -7.799 -4.845 -6.511 1.00 1.42 H new ATOM 0 HG3 GLU A 167 -9.001 -4.082 -5.489 1.00 1.42 H new ATOM 2182 N ILE A 168 -5.595 -4.884 -4.700 1.00 0.53 N ATOM 2183 CA ILE A 168 -4.647 -6.006 -4.748 1.00 0.54 C ATOM 2184 C ILE A 168 -5.347 -7.364 -4.562 1.00 0.56 C ATOM 2185 O ILE A 168 -6.321 -7.476 -3.821 1.00 0.50 O ATOM 2186 CB ILE A 168 -3.513 -5.761 -3.717 1.00 0.49 C ATOM 2187 CG1 ILE A 168 -2.345 -6.746 -3.927 1.00 0.51 C ATOM 2188 CG2 ILE A 168 -4.016 -5.821 -2.260 1.00 0.47 C ATOM 2189 CD1 ILE A 168 -1.080 -6.398 -3.130 1.00 0.48 C ATOM 0 H ILE A 168 -6.377 -5.050 -4.066 1.00 0.53 H new ATOM 0 HA ILE A 168 -4.199 -6.053 -5.741 1.00 0.54 H new ATOM 0 HB ILE A 168 -3.150 -4.748 -3.892 1.00 0.49 H new ATOM 0 HG12 ILE A 168 -2.673 -7.747 -3.648 1.00 0.51 H new ATOM 0 HG13 ILE A 168 -2.096 -6.777 -4.988 1.00 0.51 H new ATOM 0 HG21 ILE A 168 -3.183 -5.643 -1.580 1.00 0.47 H new ATOM 0 HG22 ILE A 168 -4.779 -5.058 -2.107 1.00 0.47 H new ATOM 0 HG23 ILE A 168 -4.442 -6.805 -2.062 1.00 0.47 H new ATOM 0 HD11 ILE A 168 -0.307 -7.139 -3.333 1.00 0.48 H new ATOM 0 HD12 ILE A 168 -0.724 -5.411 -3.425 1.00 0.48 H new ATOM 0 HD13 ILE A 168 -1.310 -6.397 -2.065 1.00 0.48 H new ATOM 2201 N GLU A 169 -4.838 -8.412 -5.208 1.00 0.68 N ATOM 2202 CA GLU A 169 -5.215 -9.817 -4.977 1.00 0.68 C ATOM 2203 C GLU A 169 -3.973 -10.600 -4.503 1.00 0.70 C ATOM 2204 O GLU A 169 -2.839 -10.205 -4.792 1.00 0.75 O ATOM 2205 CB GLU A 169 -5.844 -10.410 -6.252 1.00 0.69 C ATOM 2206 CG GLU A 169 -6.647 -11.702 -6.005 1.00 0.77 C ATOM 2207 CD GLU A 169 -7.136 -12.366 -7.302 1.00 0.88 C ATOM 2208 OE1 GLU A 169 -7.135 -11.747 -8.392 1.00 2.00 O ATOM 2209 OE2 GLU A 169 -7.506 -13.567 -7.265 1.00 1.64 O ATOM 0 H GLU A 169 -4.127 -8.309 -5.932 1.00 0.68 H new ATOM 0 HA GLU A 169 -5.970 -9.888 -4.194 1.00 0.68 H new ATOM 0 HB2 GLU A 169 -6.501 -9.666 -6.702 1.00 0.69 H new ATOM 0 HB3 GLU A 169 -5.054 -10.617 -6.974 1.00 0.69 H new ATOM 0 HG2 GLU A 169 -6.026 -12.409 -5.454 1.00 0.77 H new ATOM 0 HG3 GLU A 169 -7.506 -11.474 -5.375 1.00 0.77 H new ATOM 2216 N LEU A 170 -4.160 -11.697 -3.762 1.00 0.69 N ATOM 2217 CA LEU A 170 -3.047 -12.457 -3.173 1.00 0.72 C ATOM 2218 C LEU A 170 -2.068 -13.054 -4.212 1.00 0.72 C ATOM 2219 O LEU A 170 -2.467 -13.319 -5.355 1.00 0.80 O ATOM 2220 CB LEU A 170 -3.591 -13.559 -2.246 1.00 0.76 C ATOM 2221 CG LEU A 170 -4.191 -13.099 -0.904 1.00 0.81 C ATOM 2222 CD1 LEU A 170 -3.961 -14.197 0.132 1.00 0.87 C ATOM 2223 CD2 LEU A 170 -3.613 -11.811 -0.307 1.00 0.94 C ATOM 0 H LEU A 170 -5.081 -12.083 -3.553 1.00 0.69 H new ATOM 0 HA LEU A 170 -2.462 -11.740 -2.597 1.00 0.72 H new ATOM 0 HB2 LEU A 170 -4.356 -14.113 -2.789 1.00 0.76 H new ATOM 0 HB3 LEU A 170 -2.781 -14.257 -2.035 1.00 0.76 H new ATOM 0 HG LEU A 170 -5.238 -12.896 -1.129 1.00 0.81 H new ATOM 0 HD11 LEU A 170 -4.380 -13.887 1.089 1.00 0.87 H new ATOM 0 HD12 LEU A 170 -4.447 -15.115 -0.197 1.00 0.87 H new ATOM 0 HD13 LEU A 170 -2.891 -14.373 0.244 1.00 0.87 H new ATOM 0 HD21 LEU A 170 -4.114 -11.590 0.635 1.00 0.94 H new ATOM 0 HD22 LEU A 170 -2.545 -11.940 -0.129 1.00 0.94 H new ATOM 0 HD23 LEU A 170 -3.768 -10.986 -1.002 1.00 0.94 H new ATOM 2235 N PRO A 171 -0.794 -13.298 -3.821 1.00 0.68 N ATOM 2236 CA PRO A 171 0.253 -13.725 -4.743 1.00 0.67 C ATOM 2237 C PRO A 171 -0.020 -15.137 -5.265 1.00 0.69 C ATOM 2238 O PRO A 171 0.195 -16.133 -4.574 1.00 0.76 O ATOM 2239 CB PRO A 171 1.577 -13.612 -3.977 1.00 0.63 C ATOM 2240 CG PRO A 171 1.172 -13.723 -2.510 1.00 0.69 C ATOM 2241 CD PRO A 171 -0.229 -13.120 -2.485 1.00 0.71 C ATOM 0 HA PRO A 171 0.290 -13.098 -5.634 1.00 0.67 H new ATOM 0 HB2 PRO A 171 2.270 -14.405 -4.260 1.00 0.63 H new ATOM 0 HB3 PRO A 171 2.076 -12.665 -4.182 1.00 0.63 H new ATOM 0 HG2 PRO A 171 1.170 -14.759 -2.171 1.00 0.69 H new ATOM 0 HG3 PRO A 171 1.857 -13.176 -1.861 1.00 0.69 H new ATOM 0 HD2 PRO A 171 -0.848 -13.613 -1.736 1.00 0.71 H new ATOM 0 HD3 PRO A 171 -0.190 -12.063 -2.220 1.00 0.71 H new ATOM 2249 N LEU A 172 -0.491 -15.193 -6.509 1.00 0.81 N ATOM 2250 CA LEU A 172 -0.744 -16.388 -7.319 1.00 0.86 C ATOM 2251 C LEU A 172 -0.289 -16.120 -8.770 1.00 0.94 C ATOM 2252 O LEU A 172 -0.978 -16.411 -9.749 1.00 1.18 O ATOM 2253 CB LEU A 172 -2.228 -16.793 -7.166 1.00 0.98 C ATOM 2254 CG LEU A 172 -2.543 -17.613 -5.903 1.00 2.11 C ATOM 2255 CD1 LEU A 172 -4.056 -17.736 -5.725 1.00 3.22 C ATOM 2256 CD2 LEU A 172 -1.957 -19.021 -6.012 1.00 2.32 C ATOM 0 H LEU A 172 -0.724 -14.340 -7.018 1.00 0.81 H new ATOM 0 HA LEU A 172 -0.163 -17.245 -6.979 1.00 0.86 H new ATOM 0 HB2 LEU A 172 -2.838 -15.890 -7.158 1.00 0.98 H new ATOM 0 HB3 LEU A 172 -2.525 -17.371 -8.041 1.00 0.98 H new ATOM 0 HG LEU A 172 -2.101 -17.098 -5.050 1.00 2.11 H new ATOM 0 HD11 LEU A 172 -4.271 -18.318 -4.829 1.00 3.22 H new ATOM 0 HD12 LEU A 172 -4.493 -16.742 -5.626 1.00 3.22 H new ATOM 0 HD13 LEU A 172 -4.485 -18.236 -6.593 1.00 3.22 H new ATOM 0 HD21 LEU A 172 -2.191 -19.584 -5.108 1.00 2.32 H new ATOM 0 HD22 LEU A 172 -2.386 -19.528 -6.876 1.00 2.32 H new ATOM 0 HD23 LEU A 172 -0.875 -18.957 -6.129 1.00 2.32 H new ATOM 2268 N ASN A 173 0.875 -15.478 -8.887 1.00 1.08 N ATOM 2269 CA ASN A 173 1.538 -14.991 -10.109 1.00 1.17 C ATOM 2270 C ASN A 173 2.902 -15.685 -10.335 1.00 1.26 C ATOM 2271 O ASN A 173 3.722 -15.233 -11.137 1.00 2.91 O ATOM 2272 CB ASN A 173 1.638 -13.446 -10.105 1.00 1.34 C ATOM 2273 CG ASN A 173 1.309 -12.828 -8.773 1.00 1.81 C ATOM 2274 OD1 ASN A 173 1.925 -13.097 -7.754 1.00 3.53 O ATOM 2275 ND2 ASN A 173 0.233 -12.101 -8.715 1.00 2.20 N ATOM 0 H ASN A 173 1.431 -15.264 -8.059 1.00 1.08 H new ATOM 0 HA ASN A 173 0.919 -15.264 -10.964 1.00 1.17 H new ATOM 0 HB2 ASN A 173 2.648 -13.154 -10.393 1.00 1.34 H new ATOM 0 HB3 ASN A 173 0.963 -13.044 -10.860 1.00 1.34 H new ATOM 0 HD21 ASN A 173 -0.100 -11.753 -7.816 1.00 2.20 H new ATOM 0 HD22 ASN A 173 -0.279 -11.878 -9.569 1.00 2.20 H new ATOM 2282 N ASP A 174 3.148 -16.767 -9.589 1.00 1.46 N ATOM 2283 CA ASP A 174 4.398 -17.548 -9.522 1.00 1.77 C ATOM 2284 C ASP A 174 5.646 -16.735 -9.127 1.00 1.47 C ATOM 2285 O ASP A 174 6.764 -17.053 -9.531 1.00 1.66 O ATOM 2286 CB ASP A 174 4.595 -18.371 -10.807 1.00 2.34 C ATOM 2287 CG ASP A 174 5.589 -19.527 -10.658 1.00 3.24 C ATOM 2288 OD1 ASP A 174 5.582 -20.203 -9.595 1.00 4.61 O ATOM 2289 OD2 ASP A 174 6.358 -19.791 -11.617 1.00 3.28 O ATOM 0 H ASP A 174 2.433 -17.151 -8.972 1.00 1.46 H new ATOM 0 HA ASP A 174 4.277 -18.243 -8.691 1.00 1.77 H new ATOM 0 HB2 ASP A 174 3.631 -18.772 -11.121 1.00 2.34 H new ATOM 0 HB3 ASP A 174 4.939 -17.709 -11.601 1.00 2.34 H new ATOM 2294 N VAL A 175 5.463 -15.661 -8.352 1.00 1.13 N ATOM 2295 CA VAL A 175 6.557 -14.803 -7.880 1.00 0.94 C ATOM 2296 C VAL A 175 7.271 -15.376 -6.652 1.00 0.86 C ATOM 2297 O VAL A 175 6.673 -16.074 -5.829 1.00 0.94 O ATOM 2298 CB VAL A 175 6.142 -13.334 -7.688 1.00 0.82 C ATOM 2299 CG1 VAL A 175 5.475 -12.804 -8.956 1.00 0.99 C ATOM 2300 CG2 VAL A 175 5.209 -13.097 -6.510 1.00 0.65 C ATOM 0 H VAL A 175 4.543 -15.359 -8.031 1.00 1.13 H new ATOM 0 HA VAL A 175 7.289 -14.798 -8.687 1.00 0.94 H new ATOM 0 HB VAL A 175 7.067 -12.798 -7.474 1.00 0.82 H new ATOM 0 HG11 VAL A 175 5.186 -11.764 -8.807 1.00 0.99 H new ATOM 0 HG12 VAL A 175 6.174 -12.871 -9.790 1.00 0.99 H new ATOM 0 HG13 VAL A 175 4.589 -13.399 -9.177 1.00 0.99 H new ATOM 0 HG21 VAL A 175 4.966 -12.036 -6.446 1.00 0.65 H new ATOM 0 HG22 VAL A 175 4.293 -13.671 -6.650 1.00 0.65 H new ATOM 0 HG23 VAL A 175 5.699 -13.413 -5.589 1.00 0.65 H new ATOM 2310 N VAL A 176 8.559 -15.052 -6.527 1.00 0.86 N ATOM 2311 CA VAL A 176 9.402 -15.405 -5.369 1.00 0.90 C ATOM 2312 C VAL A 176 9.045 -14.542 -4.157 1.00 0.76 C ATOM 2313 O VAL A 176 9.020 -15.023 -3.023 1.00 0.84 O ATOM 2314 CB VAL A 176 10.893 -15.214 -5.724 1.00 1.10 C ATOM 2315 CG1 VAL A 176 11.832 -15.601 -4.576 1.00 1.50 C ATOM 2316 CG2 VAL A 176 11.281 -16.050 -6.949 1.00 1.49 C ATOM 0 H VAL A 176 9.062 -14.525 -7.241 1.00 0.86 H new ATOM 0 HA VAL A 176 9.221 -16.450 -5.118 1.00 0.90 H new ATOM 0 HB VAL A 176 11.008 -14.150 -5.931 1.00 1.10 H new ATOM 0 HG11 VAL A 176 12.866 -15.446 -4.884 1.00 1.50 H new ATOM 0 HG12 VAL A 176 11.616 -14.982 -3.705 1.00 1.50 H new ATOM 0 HG13 VAL A 176 11.683 -16.650 -4.322 1.00 1.50 H new ATOM 0 HG21 VAL A 176 12.336 -15.896 -7.176 1.00 1.49 H new ATOM 0 HG22 VAL A 176 11.105 -17.105 -6.740 1.00 1.49 H new ATOM 0 HG23 VAL A 176 10.678 -15.744 -7.804 1.00 1.49 H new ATOM 2326 N ASP A 177 8.755 -13.265 -4.400 1.00 0.65 N ATOM 2327 CA ASP A 177 8.485 -12.246 -3.385 1.00 0.59 C ATOM 2328 C ASP A 177 7.460 -11.227 -3.918 1.00 0.44 C ATOM 2329 O ASP A 177 7.492 -10.897 -5.107 1.00 0.52 O ATOM 2330 CB ASP A 177 9.816 -11.572 -2.996 1.00 0.80 C ATOM 2331 CG ASP A 177 9.903 -11.192 -1.517 1.00 1.35 C ATOM 2332 OD1 ASP A 177 8.863 -11.142 -0.823 1.00 2.43 O ATOM 2333 OD2 ASP A 177 11.039 -11.020 -1.013 1.00 2.20 O ATOM 0 H ASP A 177 8.699 -12.896 -5.349 1.00 0.65 H new ATOM 0 HA ASP A 177 8.052 -12.701 -2.494 1.00 0.59 H new ATOM 0 HB2 ASP A 177 10.638 -12.245 -3.238 1.00 0.80 H new ATOM 0 HB3 ASP A 177 9.949 -10.675 -3.601 1.00 0.80 H new ATOM 2338 N ALA A 178 6.554 -10.739 -3.067 1.00 0.40 N ATOM 2339 CA ALA A 178 5.441 -9.863 -3.457 1.00 0.38 C ATOM 2340 C ALA A 178 5.680 -8.410 -3.031 1.00 0.37 C ATOM 2341 O ALA A 178 6.188 -8.176 -1.928 1.00 0.38 O ATOM 2342 CB ALA A 178 4.155 -10.402 -2.830 1.00 0.51 C ATOM 0 H ALA A 178 6.572 -10.944 -2.068 1.00 0.40 H new ATOM 0 HA ALA A 178 5.358 -9.862 -4.544 1.00 0.38 H new ATOM 0 HB1 ALA A 178 3.318 -9.762 -3.110 1.00 0.51 H new ATOM 0 HB2 ALA A 178 3.973 -11.415 -3.188 1.00 0.51 H new ATOM 0 HB3 ALA A 178 4.256 -10.413 -1.745 1.00 0.51 H new ATOM 2348 N HIS A 179 5.299 -7.431 -3.862 1.00 0.37 N ATOM 2349 CA HIS A 179 5.512 -6.009 -3.552 1.00 0.37 C ATOM 2350 C HIS A 179 4.334 -5.076 -3.922 1.00 0.38 C ATOM 2351 O HIS A 179 3.422 -5.465 -4.658 1.00 0.43 O ATOM 2352 CB HIS A 179 6.843 -5.520 -4.167 1.00 0.40 C ATOM 2353 CG HIS A 179 8.068 -6.318 -3.781 1.00 0.44 C ATOM 2354 ND1 HIS A 179 9.046 -5.887 -2.917 1.00 0.49 N ATOM 2355 CD2 HIS A 179 8.443 -7.562 -4.229 1.00 0.47 C ATOM 2356 CE1 HIS A 179 9.972 -6.851 -2.816 1.00 0.54 C ATOM 2357 NE2 HIS A 179 9.663 -7.890 -3.616 1.00 0.52 N ATOM 0 H HIS A 179 4.840 -7.598 -4.758 1.00 0.37 H new ATOM 0 HA HIS A 179 5.569 -5.948 -2.465 1.00 0.37 H new ATOM 0 HB2 HIS A 179 6.749 -5.534 -5.253 1.00 0.40 H new ATOM 0 HB3 HIS A 179 6.999 -4.482 -3.874 1.00 0.40 H new ATOM 0 HD1 HIS A 179 9.064 -4.988 -2.435 1.00 0.49 H new ATOM 0 HD2 HIS A 179 7.897 -8.178 -4.928 1.00 0.47 H new ATOM 0 HE1 HIS A 179 10.845 -6.802 -2.181 1.00 0.54 H new ATOM 2365 N VAL A 180 4.348 -3.835 -3.407 1.00 0.37 N ATOM 2366 CA VAL A 180 3.357 -2.767 -3.694 1.00 0.38 C ATOM 2367 C VAL A 180 4.029 -1.414 -3.941 1.00 0.39 C ATOM 2368 O VAL A 180 4.920 -1.036 -3.179 1.00 0.40 O ATOM 2369 CB VAL A 180 2.335 -2.549 -2.552 1.00 0.39 C ATOM 2370 CG1 VAL A 180 0.994 -2.066 -3.108 1.00 0.51 C ATOM 2371 CG2 VAL A 180 2.067 -3.755 -1.652 1.00 0.36 C ATOM 0 H VAL A 180 5.072 -3.530 -2.756 1.00 0.37 H new ATOM 0 HA VAL A 180 2.840 -3.121 -4.586 1.00 0.38 H new ATOM 0 HB VAL A 180 2.814 -1.797 -1.925 1.00 0.39 H new ATOM 0 HG11 VAL A 180 0.291 -1.920 -2.288 1.00 0.51 H new ATOM 0 HG12 VAL A 180 1.137 -1.123 -3.636 1.00 0.51 H new ATOM 0 HG13 VAL A 180 0.596 -2.811 -3.797 1.00 0.51 H new ATOM 0 HG21 VAL A 180 1.336 -3.485 -0.890 1.00 0.36 H new ATOM 0 HG22 VAL A 180 1.678 -4.578 -2.252 1.00 0.36 H new ATOM 0 HG23 VAL A 180 2.995 -4.064 -1.171 1.00 0.36 H new ATOM 2381 N TYR A 181 3.543 -0.651 -4.928 1.00 0.43 N ATOM 2382 CA TYR A 181 4.051 0.680 -5.291 1.00 0.45 C ATOM 2383 C TYR A 181 2.911 1.723 -5.442 1.00 0.46 C ATOM 2384 O TYR A 181 2.481 2.028 -6.560 1.00 0.55 O ATOM 2385 CB TYR A 181 4.918 0.551 -6.545 1.00 0.51 C ATOM 2386 CG TYR A 181 6.154 -0.305 -6.326 1.00 0.53 C ATOM 2387 CD1 TYR A 181 7.316 0.268 -5.773 1.00 2.01 C ATOM 2388 CD2 TYR A 181 6.123 -1.684 -6.610 1.00 1.91 C ATOM 2389 CE1 TYR A 181 8.455 -0.526 -5.526 1.00 1.99 C ATOM 2390 CE2 TYR A 181 7.248 -2.486 -6.342 1.00 2.00 C ATOM 2391 CZ TYR A 181 8.423 -1.909 -5.815 1.00 0.74 C ATOM 2392 OH TYR A 181 9.519 -2.688 -5.622 1.00 0.90 O ATOM 0 H TYR A 181 2.763 -0.950 -5.513 1.00 0.43 H new ATOM 0 HA TYR A 181 4.671 1.064 -4.481 1.00 0.45 H new ATOM 0 HB2 TYR A 181 4.322 0.120 -7.349 1.00 0.51 H new ATOM 0 HB3 TYR A 181 5.224 1.545 -6.872 1.00 0.51 H new ATOM 0 HD1 TYR A 181 7.335 1.322 -5.537 1.00 2.01 H new ATOM 0 HD2 TYR A 181 5.234 -2.127 -7.034 1.00 1.91 H new ATOM 0 HE1 TYR A 181 9.349 -0.079 -5.117 1.00 1.99 H new ATOM 0 HE2 TYR A 181 7.212 -3.547 -6.540 1.00 2.00 H new ATOM 0 HH TYR A 181 9.312 -3.612 -5.873 1.00 0.90 H new ATOM 2402 N PRO A 182 2.385 2.262 -4.323 1.00 0.43 N ATOM 2403 CA PRO A 182 1.364 3.315 -4.286 1.00 0.45 C ATOM 2404 C PRO A 182 1.838 4.664 -4.842 1.00 0.44 C ATOM 2405 O PRO A 182 3.015 5.022 -4.728 1.00 0.50 O ATOM 2406 CB PRO A 182 0.939 3.443 -2.819 1.00 0.48 C ATOM 2407 CG PRO A 182 2.093 2.843 -2.027 1.00 0.52 C ATOM 2408 CD PRO A 182 2.685 1.812 -2.979 1.00 0.43 C ATOM 0 HA PRO A 182 0.534 3.035 -4.935 1.00 0.45 H new ATOM 0 HB2 PRO A 182 0.770 4.485 -2.545 1.00 0.48 H new ATOM 0 HB3 PRO A 182 0.008 2.909 -2.629 1.00 0.48 H new ATOM 0 HG2 PRO A 182 2.826 3.601 -1.751 1.00 0.52 H new ATOM 0 HG3 PRO A 182 1.747 2.382 -1.102 1.00 0.52 H new ATOM 0 HD2 PRO A 182 3.761 1.724 -2.832 1.00 0.43 H new ATOM 0 HD3 PRO A 182 2.256 0.827 -2.797 1.00 0.43 H new ATOM 2416 N LYS A 183 0.888 5.413 -5.420 1.00 0.47 N ATOM 2417 CA LYS A 183 1.080 6.686 -6.140 1.00 0.49 C ATOM 2418 C LYS A 183 0.092 7.765 -5.673 1.00 0.56 C ATOM 2419 O LYS A 183 -0.889 7.476 -4.985 1.00 0.89 O ATOM 2420 CB LYS A 183 0.914 6.424 -7.647 1.00 0.53 C ATOM 2421 CG LYS A 183 2.005 5.501 -8.218 1.00 0.56 C ATOM 2422 CD LYS A 183 1.668 5.006 -9.629 1.00 1.11 C ATOM 2423 CE LYS A 183 0.873 3.689 -9.648 1.00 1.04 C ATOM 2424 NZ LYS A 183 -0.562 3.864 -9.333 1.00 1.54 N ATOM 0 H LYS A 183 -0.093 5.133 -5.398 1.00 0.47 H new ATOM 0 HA LYS A 183 2.081 7.062 -5.927 1.00 0.49 H new ATOM 0 HB2 LYS A 183 -0.064 5.977 -7.827 1.00 0.53 H new ATOM 0 HB3 LYS A 183 0.934 7.374 -8.180 1.00 0.53 H new ATOM 0 HG2 LYS A 183 2.955 6.035 -8.240 1.00 0.56 H new ATOM 0 HG3 LYS A 183 2.136 4.645 -7.557 1.00 0.56 H new ATOM 0 HD2 LYS A 183 1.094 5.774 -10.147 1.00 1.11 H new ATOM 0 HD3 LYS A 183 2.594 4.869 -10.188 1.00 1.11 H new ATOM 0 HE2 LYS A 183 0.968 3.230 -10.632 1.00 1.04 H new ATOM 0 HE3 LYS A 183 1.313 2.997 -8.930 1.00 1.04 H new ATOM 0 HZ1 LYS A 183 -1.097 3.043 -9.682 1.00 1.54 H new ATOM 0 HZ2 LYS A 183 -0.684 3.944 -8.303 1.00 1.54 H new ATOM 0 HZ3 LYS A 183 -0.915 4.728 -9.792 1.00 1.54 H new ATOM 2438 N ASN A 184 0.352 9.012 -6.071 0.49 0.44 N ATOM 2439 CA ASN A 184 -0.410 10.185 -5.640 0.49 0.58 C ATOM 2440 C ASN A 184 -1.142 10.898 -6.790 0.49 0.74 C ATOM 2441 O ASN A 184 -0.832 10.724 -7.971 0.49 0.88 O ATOM 2442 CB ASN A 184 0.515 11.143 -4.859 0.49 0.82 C ATOM 2443 CG ASN A 184 0.894 10.654 -3.481 0.49 2.07 C ATOM 2444 OD1 ASN A 184 0.980 9.472 -3.194 0.49 3.12 O ATOM 2445 ND2 ASN A 184 1.182 11.555 -2.579 0.49 2.60 N ATOM 0 H ASN A 184 1.111 9.239 -6.713 0.49 0.44 H new ATOM 0 HA ASN A 184 -1.204 9.837 -4.979 0.49 0.58 H new ATOM 0 HB2 ASN A 184 1.425 11.304 -5.438 0.49 0.82 H new ATOM 0 HB3 ASN A 184 0.022 12.110 -4.766 0.49 0.82 H new ATOM 0 HD21 ASN A 184 1.475 11.267 -1.646 0.49 2.60 H new ATOM 0 HD22 ASN A 184 1.113 12.546 -2.808 0.49 2.60 H new ATOM 2452 N THR A 185 -2.117 11.725 -6.410 0.49 0.93 N ATOM 2453 CA THR A 185 -2.835 12.683 -7.261 0.49 1.33 C ATOM 2454 C THR A 185 -3.342 13.849 -6.398 0.49 1.86 C ATOM 2455 O THR A 185 -3.303 13.769 -5.173 0.49 3.32 O ATOM 2456 CB THR A 185 -3.994 11.994 -8.011 0.49 1.17 C ATOM 2457 OG1 THR A 185 -4.488 12.828 -9.034 0.49 1.68 O ATOM 2458 CG2 THR A 185 -5.182 11.633 -7.121 0.49 0.97 C ATOM 0 H THR A 185 -2.448 11.748 -5.445 0.49 0.93 H new ATOM 0 HA THR A 185 -2.153 13.075 -8.015 0.49 1.33 H new ATOM 0 HB THR A 185 -3.562 11.074 -8.404 0.49 1.17 H new ATOM 0 HG1 THR A 185 -5.221 12.375 -9.500 0.49 1.68 H new ATOM 0 HG21 THR A 185 -5.954 11.153 -7.722 0.49 0.97 H new ATOM 0 HG22 THR A 185 -4.855 10.950 -6.337 0.49 0.97 H new ATOM 0 HG23 THR A 185 -5.586 12.538 -6.668 0.49 0.97 H new