USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 969 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 THR OG1 : rot 42:sc= -4.53! USER MOD Set 1.2: A 144 SER OG : rot 180:sc= -1.29 USER MOD Set 1.3: A 145 GLN :FLIP amide:sc= -0.761 F(o=-8.3!,f=-6.6) USER MOD Single : A 12 HIS : no HE2:sc= -6.3! C(o=-6.3!,f=-7.3!) USER MOD Single : A 13 THR OG1 : rot -175:sc= -4.24! USER MOD Single : A 14 SER OG : rot 68:sc= 1.08 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 28:sc= 0.0502 USER MOD Single : A 25 TYR OH : rot 180:sc= -2.04 USER MOD Single : A 27 THR OG1 : rot 85:sc= -2.99! USER MOD Single : A 28 SER OG : rot 149:sc= 0.83! USER MOD Single : A 37 MET CE :methyl 161:sc= -2.53! (180deg=-2.57!) USER MOD Single : A 45 GLN : amide:sc= 0.636 K(o=0.64,f=-1.6!) USER MOD Single : A 47 ASN :FLIP amide:sc= -14.3! C(o=-17!,f=-14!) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.488 USER MOD Single : A 56 ASN :FLIP amide:sc= -0.671 F(o=-1.8,f=-0.67) USER MOD Single : A 65 SER OG : rot 180:sc= -2.03 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -63:sc= 0.624 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -157:sc= 0 (180deg=-0.404) USER MOD Single : A 93 THR OG1 : rot 95:sc= 0.143! USER MOD Single : A 97 GLN : amide:sc= -24.6! C(o=-25!,f=-31!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 37:sc= 0.826 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0485 USER MOD Single : A 111 TYR OH : rot -79:sc= -0.76 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.029 USER MOD Single : A 115 SER OG : rot 4:sc= -12.3! USER MOD Single : A 116 ASN :FLIP amide:sc= -2.05 F(o=-6.8!,f=-2.1) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0245 USER MOD Single : A 128 GLN : amide:sc= -2.86! C(o=-2.9!,f=-3.4!) USER MOD Single : A 132 HIS : no HD1:sc= -15.5! C(o=-16!,f=-17!) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 TYR OH : rot 161:sc= -1.62! USER MOD Single : A 147 SER OG : rot 24:sc= 0.019 USER MOD Single : A 149 THR OG1 : rot 160:sc= 1.17! USER MOD Single : A 150 THR OG1 : rot -2:sc= 0.246 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 7 -12.834 -8.641 -10.913 1.00 2.11 N ATOM 82 CA VAL A 7 -13.264 -7.275 -11.324 1.00 2.12 C ATOM 83 C VAL A 7 -12.036 -6.369 -11.443 1.00 2.11 C ATOM 84 O VAL A 7 -11.575 -5.802 -10.472 1.00 2.83 O ATOM 85 CB VAL A 7 -14.219 -6.704 -10.274 1.00 2.16 C ATOM 86 CG1 VAL A 7 -14.803 -5.383 -10.779 1.00 2.17 C ATOM 87 CG2 VAL A 7 -15.355 -7.700 -10.024 1.00 2.42 C ATOM 0 HA VAL A 7 -13.772 -7.328 -12.287 1.00 2.12 H new ATOM 0 HB VAL A 7 -13.676 -6.530 -9.345 1.00 2.16 H new ATOM 0 HG11 VAL A 7 -15.483 -4.976 -10.031 1.00 2.17 H new ATOM 0 HG12 VAL A 7 -13.995 -4.673 -10.959 1.00 2.17 H new ATOM 0 HG13 VAL A 7 -15.347 -5.557 -11.708 1.00 2.17 H new ATOM 0 HG21 VAL A 7 -16.036 -7.295 -9.276 1.00 2.42 H new ATOM 0 HG22 VAL A 7 -15.898 -7.874 -10.953 1.00 2.42 H new ATOM 0 HG23 VAL A 7 -14.941 -8.642 -9.665 1.00 2.42 H new ATOM 97 N GLU A 8 -11.505 -6.228 -12.626 1.00 1.96 N ATOM 98 CA GLU A 8 -10.309 -5.359 -12.806 1.00 2.32 C ATOM 99 C GLU A 8 -10.751 -3.971 -13.274 1.00 2.30 C ATOM 100 O GLU A 8 -11.106 -3.777 -14.420 1.00 2.59 O ATOM 101 CB GLU A 8 -9.380 -5.978 -13.852 1.00 3.06 C ATOM 102 CG GLU A 8 -7.950 -5.484 -13.624 1.00 3.55 C ATOM 103 CD GLU A 8 -7.148 -6.560 -12.890 1.00 4.20 C ATOM 104 OE1 GLU A 8 -7.327 -6.688 -11.689 1.00 4.75 O ATOM 105 OE2 GLU A 8 -6.370 -7.238 -13.539 1.00 4.42 O ATOM 0 H GLU A 8 -11.848 -6.677 -13.475 1.00 1.96 H new ATOM 0 HA GLU A 8 -9.780 -5.271 -11.857 1.00 2.32 H new ATOM 0 HB2 GLU A 8 -9.415 -7.065 -13.786 1.00 3.06 H new ATOM 0 HB3 GLU A 8 -9.713 -5.709 -14.854 1.00 3.06 H new ATOM 0 HG2 GLU A 8 -7.478 -5.252 -14.579 1.00 3.55 H new ATOM 0 HG3 GLU A 8 -7.961 -4.563 -13.041 1.00 3.55 H new ATOM 112 N LEU A 9 -10.733 -3.005 -12.398 1.00 2.76 N ATOM 113 CA LEU A 9 -11.152 -1.632 -12.793 1.00 3.48 C ATOM 114 C LEU A 9 -9.999 -0.934 -13.517 1.00 3.43 C ATOM 115 O LEU A 9 -10.183 0.070 -14.177 1.00 4.12 O ATOM 116 CB LEU A 9 -11.527 -0.835 -11.542 1.00 3.72 C ATOM 117 CG LEU A 9 -13.016 -1.018 -11.247 1.00 4.22 C ATOM 118 CD1 LEU A 9 -13.235 -1.067 -9.734 1.00 4.95 C ATOM 119 CD2 LEU A 9 -13.799 0.158 -11.837 1.00 3.49 C ATOM 0 H LEU A 9 -10.446 -3.108 -11.425 1.00 2.76 H new ATOM 0 HA LEU A 9 -12.014 -1.692 -13.458 1.00 3.48 H new ATOM 0 HB2 LEU A 9 -10.933 -1.171 -10.692 1.00 3.72 H new ATOM 0 HB3 LEU A 9 -11.302 0.221 -11.690 1.00 3.72 H new ATOM 0 HG LEU A 9 -13.363 -1.949 -11.694 1.00 4.22 H new ATOM 0 HD11 LEU A 9 -14.297 -1.197 -9.524 1.00 4.95 H new ATOM 0 HD12 LEU A 9 -12.676 -1.903 -9.312 1.00 4.95 H new ATOM 0 HD13 LEU A 9 -12.888 -0.136 -9.286 1.00 4.95 H new ATOM 0 HD21 LEU A 9 -14.861 0.030 -11.628 1.00 3.49 H new ATOM 0 HD22 LEU A 9 -13.451 1.088 -11.389 1.00 3.49 H new ATOM 0 HD23 LEU A 9 -13.643 0.194 -12.915 1.00 3.49 H new ATOM 131 N LEU A 10 -8.809 -1.458 -13.399 1.00 2.81 N ATOM 132 CA LEU A 10 -7.645 -0.826 -14.081 1.00 2.72 C ATOM 133 C LEU A 10 -7.008 -1.851 -15.022 1.00 2.86 C ATOM 134 O LEU A 10 -6.187 -2.648 -14.614 1.00 2.83 O ATOM 135 CB LEU A 10 -6.622 -0.393 -13.021 1.00 2.41 C ATOM 136 CG LEU A 10 -5.467 0.432 -13.614 1.00 2.12 C ATOM 137 CD1 LEU A 10 -4.242 -0.468 -13.789 1.00 1.99 C ATOM 138 CD2 LEU A 10 -5.840 1.052 -14.967 1.00 2.07 C ATOM 0 H LEU A 10 -8.593 -2.296 -12.860 1.00 2.81 H new ATOM 0 HA LEU A 10 -7.968 0.044 -14.652 1.00 2.72 H new ATOM 0 HB2 LEU A 10 -7.126 0.194 -12.254 1.00 2.41 H new ATOM 0 HB3 LEU A 10 -6.217 -1.278 -12.530 1.00 2.41 H new ATOM 0 HG LEU A 10 -5.248 1.247 -12.923 1.00 2.12 H new ATOM 0 HD11 LEU A 10 -3.421 0.113 -14.209 1.00 1.99 H new ATOM 0 HD12 LEU A 10 -3.944 -0.869 -12.820 1.00 1.99 H new ATOM 0 HD13 LEU A 10 -4.487 -1.289 -14.462 1.00 1.99 H new ATOM 0 HD21 LEU A 10 -4.996 1.626 -15.349 1.00 2.07 H new ATOM 0 HD22 LEU A 10 -6.091 0.260 -15.673 1.00 2.07 H new ATOM 0 HD23 LEU A 10 -6.699 1.711 -14.841 1.00 2.07 H new ATOM 150 N PRO A 11 -7.382 -1.831 -16.272 1.00 3.10 N ATOM 151 CA PRO A 11 -6.836 -2.776 -17.282 1.00 3.32 C ATOM 152 C PRO A 11 -5.430 -2.371 -17.728 1.00 2.96 C ATOM 153 O PRO A 11 -5.003 -2.671 -18.824 1.00 3.09 O ATOM 154 CB PRO A 11 -7.822 -2.682 -18.445 1.00 3.83 C ATOM 155 CG PRO A 11 -8.459 -1.336 -18.330 1.00 3.73 C ATOM 156 CD PRO A 11 -8.364 -0.906 -16.864 1.00 3.29 C ATOM 0 HA PRO A 11 -6.738 -3.788 -16.889 1.00 3.32 H new ATOM 0 HB2 PRO A 11 -7.311 -2.792 -19.401 1.00 3.83 H new ATOM 0 HB3 PRO A 11 -8.569 -3.474 -18.390 1.00 3.83 H new ATOM 0 HG2 PRO A 11 -7.954 -0.616 -18.974 1.00 3.73 H new ATOM 0 HG3 PRO A 11 -9.500 -1.376 -18.651 1.00 3.73 H new ATOM 0 HD2 PRO A 11 -8.038 0.130 -16.774 1.00 3.29 H new ATOM 0 HD3 PRO A 11 -9.330 -0.980 -16.365 1.00 3.29 H new ATOM 164 N HIS A 12 -4.709 -1.688 -16.880 1.00 2.52 N ATOM 165 CA HIS A 12 -3.331 -1.261 -17.253 1.00 2.16 C ATOM 166 C HIS A 12 -2.333 -1.791 -16.222 1.00 1.83 C ATOM 167 O HIS A 12 -1.965 -1.104 -15.290 1.00 1.69 O ATOM 168 CB HIS A 12 -3.261 0.267 -17.292 1.00 2.13 C ATOM 169 CG HIS A 12 -2.040 0.691 -18.060 1.00 1.93 C ATOM 170 ND1 HIS A 12 -2.007 0.716 -19.446 1.00 1.98 N ATOM 171 CD2 HIS A 12 -0.798 1.110 -17.649 1.00 1.81 C ATOM 172 CE1 HIS A 12 -0.784 1.134 -19.817 1.00 1.94 C ATOM 173 NE2 HIS A 12 -0.007 1.389 -18.762 1.00 1.82 N ATOM 0 H HIS A 12 -5.014 -1.408 -15.948 1.00 2.52 H new ATOM 0 HA HIS A 12 -3.083 -1.661 -18.236 1.00 2.16 H new ATOM 0 HB2 HIS A 12 -4.158 0.671 -17.761 1.00 2.13 H new ATOM 0 HB3 HIS A 12 -3.224 0.666 -16.279 1.00 2.13 H new ATOM 0 HD1 HIS A 12 -2.772 0.463 -20.071 1.00 1.98 H new ATOM 0 HD2 HIS A 12 -0.483 1.208 -16.621 1.00 1.81 H new ATOM 0 HE1 HIS A 12 -0.469 1.249 -20.844 1.00 1.94 H new ATOM 181 N THR A 13 -1.891 -3.007 -16.384 1.00 1.82 N ATOM 182 CA THR A 13 -0.916 -3.580 -15.414 1.00 1.56 C ATOM 183 C THR A 13 0.276 -4.163 -16.178 1.00 1.39 C ATOM 184 O THR A 13 0.671 -5.291 -15.963 1.00 1.58 O ATOM 185 CB THR A 13 -1.593 -4.688 -14.605 1.00 1.72 C ATOM 186 OG1 THR A 13 -0.605 -5.458 -13.938 1.00 1.59 O ATOM 187 CG2 THR A 13 -2.398 -5.589 -15.544 1.00 1.97 C ATOM 0 H THR A 13 -2.162 -3.629 -17.146 1.00 1.82 H new ATOM 0 HA THR A 13 -0.570 -2.797 -14.739 1.00 1.56 H new ATOM 0 HB THR A 13 -2.263 -4.243 -13.870 1.00 1.72 H new ATOM 0 HG1 THR A 13 -1.031 -6.215 -13.484 1.00 1.59 H new ATOM 0 HG21 THR A 13 -2.880 -6.378 -14.967 1.00 1.97 H new ATOM 0 HG22 THR A 13 -3.158 -4.997 -16.054 1.00 1.97 H new ATOM 0 HG23 THR A 13 -1.730 -6.035 -16.281 1.00 1.97 H new ATOM 195 N SER A 14 0.848 -3.403 -17.071 1.00 1.20 N ATOM 196 CA SER A 14 2.010 -3.917 -17.849 1.00 1.07 C ATOM 197 C SER A 14 3.170 -2.922 -17.766 1.00 1.04 C ATOM 198 O SER A 14 3.581 -2.352 -18.757 1.00 1.10 O ATOM 199 CB SER A 14 1.602 -4.103 -19.310 1.00 1.14 C ATOM 200 OG SER A 14 1.606 -2.840 -19.962 1.00 1.96 O ATOM 0 H SER A 14 0.562 -2.450 -17.295 1.00 1.20 H new ATOM 0 HA SER A 14 2.327 -4.874 -17.433 1.00 1.07 H new ATOM 0 HB2 SER A 14 2.291 -4.785 -19.808 1.00 1.14 H new ATOM 0 HB3 SER A 14 0.611 -4.553 -19.369 1.00 1.14 H new ATOM 0 HG SER A 14 2.527 -2.512 -20.034 1.00 1.96 H new ATOM 206 N PHE A 15 3.707 -2.713 -16.595 1.00 1.01 N ATOM 207 CA PHE A 15 4.845 -1.760 -16.457 1.00 1.00 C ATOM 208 C PHE A 15 6.048 -2.306 -17.231 1.00 1.00 C ATOM 209 O PHE A 15 7.181 -2.160 -16.820 1.00 0.98 O ATOM 210 CB PHE A 15 5.218 -1.620 -14.979 1.00 0.98 C ATOM 211 CG PHE A 15 4.301 -0.625 -14.306 1.00 0.88 C ATOM 212 CD1 PHE A 15 3.020 -0.388 -14.817 1.00 1.74 C ATOM 213 CD2 PHE A 15 4.735 0.058 -13.162 1.00 1.11 C ATOM 214 CE1 PHE A 15 2.173 0.531 -14.185 1.00 1.76 C ATOM 215 CE2 PHE A 15 3.889 0.978 -12.531 1.00 1.14 C ATOM 216 CZ PHE A 15 2.607 1.214 -13.043 1.00 0.95 C ATOM 0 H PHE A 15 3.407 -3.160 -15.729 1.00 1.01 H new ATOM 0 HA PHE A 15 4.558 -0.786 -16.853 1.00 1.00 H new ATOM 0 HB2 PHE A 15 5.144 -2.588 -14.484 1.00 0.98 H new ATOM 0 HB3 PHE A 15 6.254 -1.293 -14.886 1.00 0.98 H new ATOM 0 HD1 PHE A 15 2.685 -0.914 -15.699 1.00 1.74 H new ATOM 0 HD2 PHE A 15 5.723 -0.125 -12.767 1.00 1.11 H new ATOM 0 HE1 PHE A 15 1.184 0.713 -14.579 1.00 1.76 H new ATOM 0 HE2 PHE A 15 4.225 1.505 -11.650 1.00 1.14 H new ATOM 0 HZ PHE A 15 1.953 1.923 -12.557 1.00 0.95 H new ATOM 226 N ALA A 16 5.809 -2.946 -18.345 1.00 1.06 N ATOM 227 CA ALA A 16 6.937 -3.514 -19.135 1.00 1.09 C ATOM 228 C ALA A 16 7.441 -2.489 -20.152 1.00 1.10 C ATOM 229 O ALA A 16 8.626 -2.252 -20.269 1.00 1.18 O ATOM 230 CB ALA A 16 6.459 -4.767 -19.872 1.00 1.14 C ATOM 0 H ALA A 16 4.881 -3.099 -18.741 1.00 1.06 H new ATOM 0 HA ALA A 16 7.751 -3.770 -18.457 1.00 1.09 H new ATOM 0 HB1 ALA A 16 7.282 -5.185 -20.451 1.00 1.14 H new ATOM 0 HB2 ALA A 16 6.113 -5.505 -19.148 1.00 1.14 H new ATOM 0 HB3 ALA A 16 5.640 -4.505 -20.542 1.00 1.14 H new ATOM 236 N GLU A 17 6.557 -1.886 -20.900 1.00 1.15 N ATOM 237 CA GLU A 17 7.002 -0.891 -21.914 1.00 1.19 C ATOM 238 C GLU A 17 6.585 0.516 -21.480 1.00 1.29 C ATOM 239 O GLU A 17 7.360 1.253 -20.905 1.00 1.41 O ATOM 240 CB GLU A 17 6.355 -1.221 -23.259 1.00 1.32 C ATOM 241 CG GLU A 17 7.264 -2.165 -24.047 1.00 1.41 C ATOM 242 CD GLU A 17 8.522 -1.415 -24.486 1.00 1.67 C ATOM 243 OE1 GLU A 17 9.471 -1.391 -23.718 1.00 1.96 O ATOM 244 OE2 GLU A 17 8.518 -0.878 -25.580 1.00 2.13 O ATOM 0 H GLU A 17 5.550 -2.039 -20.852 1.00 1.15 H new ATOM 0 HA GLU A 17 8.087 -0.929 -22.007 1.00 1.19 H new ATOM 0 HB2 GLU A 17 5.381 -1.685 -23.102 1.00 1.32 H new ATOM 0 HB3 GLU A 17 6.185 -0.306 -23.826 1.00 1.32 H new ATOM 0 HG2 GLU A 17 7.536 -3.023 -23.432 1.00 1.41 H new ATOM 0 HG3 GLU A 17 6.736 -2.552 -24.918 1.00 1.41 H new ATOM 251 N SER A 18 5.370 0.898 -21.759 1.00 1.41 N ATOM 252 CA SER A 18 4.911 2.260 -21.368 1.00 1.64 C ATOM 253 C SER A 18 4.603 2.289 -19.870 1.00 1.51 C ATOM 254 O SER A 18 4.121 1.327 -19.305 1.00 1.30 O ATOM 255 CB SER A 18 3.649 2.619 -22.153 1.00 2.02 C ATOM 256 OG SER A 18 4.012 3.015 -23.468 1.00 2.26 O ATOM 0 H SER A 18 4.676 0.327 -22.240 1.00 1.41 H new ATOM 0 HA SER A 18 5.697 2.982 -21.590 1.00 1.64 H new ATOM 0 HB2 SER A 18 2.975 1.763 -22.191 1.00 2.02 H new ATOM 0 HB3 SER A 18 3.113 3.425 -21.653 1.00 2.02 H new ATOM 0 HG SER A 18 3.205 3.244 -23.975 1.00 2.26 H new ATOM 262 N LEU A 19 4.878 3.388 -19.223 1.00 1.67 N ATOM 263 CA LEU A 19 4.603 3.485 -17.763 1.00 1.59 C ATOM 264 C LEU A 19 3.107 3.277 -17.510 1.00 1.72 C ATOM 265 O LEU A 19 2.708 2.390 -16.783 1.00 2.45 O ATOM 266 CB LEU A 19 5.016 4.868 -17.258 1.00 1.61 C ATOM 267 CG LEU A 19 5.874 4.719 -16.000 1.00 1.71 C ATOM 268 CD1 LEU A 19 7.212 4.077 -16.367 1.00 2.60 C ATOM 269 CD2 LEU A 19 6.121 6.100 -15.388 1.00 1.37 C ATOM 0 H LEU A 19 5.282 4.224 -19.644 1.00 1.67 H new ATOM 0 HA LEU A 19 5.171 2.719 -17.235 1.00 1.59 H new ATOM 0 HB2 LEU A 19 5.574 5.397 -18.031 1.00 1.61 H new ATOM 0 HB3 LEU A 19 4.131 5.465 -17.038 1.00 1.61 H new ATOM 0 HG LEU A 19 5.356 4.088 -15.278 1.00 1.71 H new ATOM 0 HD11 LEU A 19 7.823 3.971 -15.470 1.00 2.60 H new ATOM 0 HD12 LEU A 19 7.036 3.094 -16.804 1.00 2.60 H new ATOM 0 HD13 LEU A 19 7.732 4.707 -17.088 1.00 2.60 H new ATOM 0 HD21 LEU A 19 6.732 5.997 -14.491 1.00 1.37 H new ATOM 0 HD22 LEU A 19 6.640 6.730 -16.110 1.00 1.37 H new ATOM 0 HD23 LEU A 19 5.167 6.558 -15.126 1.00 1.37 H new ATOM 281 N GLY A 20 2.277 4.088 -18.108 1.00 1.44 N ATOM 282 CA GLY A 20 0.809 3.938 -17.901 1.00 1.58 C ATOM 283 C GLY A 20 0.259 5.187 -17.210 1.00 1.59 C ATOM 284 O GLY A 20 0.980 6.129 -16.947 1.00 1.62 O ATOM 0 H GLY A 20 2.552 4.848 -18.731 1.00 1.44 H new ATOM 0 HA2 GLY A 20 0.310 3.790 -18.858 1.00 1.58 H new ATOM 0 HA3 GLY A 20 0.605 3.055 -17.295 1.00 1.58 H new ATOM 288 N PRO A 21 -1.014 5.189 -16.919 1.00 1.60 N ATOM 289 CA PRO A 21 -1.687 6.334 -16.246 1.00 1.60 C ATOM 290 C PRO A 21 -1.386 6.380 -14.746 1.00 1.43 C ATOM 291 O PRO A 21 -1.762 7.307 -14.056 1.00 1.67 O ATOM 292 CB PRO A 21 -3.173 6.070 -16.486 1.00 1.68 C ATOM 293 CG PRO A 21 -3.292 4.590 -16.654 1.00 1.70 C ATOM 294 CD PRO A 21 -1.952 4.092 -17.201 1.00 1.63 C ATOM 0 HA PRO A 21 -1.346 7.293 -16.636 1.00 1.60 H new ATOM 0 HB2 PRO A 21 -3.774 6.420 -15.647 1.00 1.68 H new ATOM 0 HB3 PRO A 21 -3.527 6.596 -17.373 1.00 1.68 H new ATOM 0 HG2 PRO A 21 -3.522 4.111 -15.702 1.00 1.70 H new ATOM 0 HG3 PRO A 21 -4.103 4.344 -17.339 1.00 1.70 H new ATOM 0 HD2 PRO A 21 -1.642 3.168 -16.713 1.00 1.63 H new ATOM 0 HD3 PRO A 21 -2.011 3.884 -18.269 1.00 1.63 H new ATOM 302 N TRP A 22 -0.709 5.388 -14.235 1.00 1.30 N ATOM 303 CA TRP A 22 -0.385 5.380 -12.780 1.00 1.15 C ATOM 304 C TRP A 22 0.560 6.542 -12.468 1.00 1.24 C ATOM 305 O TRP A 22 0.706 7.461 -13.250 1.00 1.48 O ATOM 306 CB TRP A 22 0.288 4.054 -12.416 1.00 1.19 C ATOM 307 CG TRP A 22 -0.760 3.018 -12.158 1.00 1.24 C ATOM 308 CD1 TRP A 22 -1.737 2.671 -13.027 1.00 1.40 C ATOM 309 CD2 TRP A 22 -0.955 2.191 -10.972 1.00 1.50 C ATOM 310 NE1 TRP A 22 -2.518 1.685 -12.453 1.00 1.52 N ATOM 311 CE2 TRP A 22 -2.077 1.355 -11.188 1.00 1.59 C ATOM 312 CE3 TRP A 22 -0.276 2.087 -9.745 1.00 1.94 C ATOM 313 CZ2 TRP A 22 -2.510 0.447 -10.217 1.00 1.97 C ATOM 314 CZ3 TRP A 22 -0.709 1.174 -8.767 1.00 2.42 C ATOM 315 CH2 TRP A 22 -1.822 0.357 -9.002 1.00 2.39 C ATOM 0 H TRP A 22 -0.367 4.584 -14.761 1.00 1.30 H new ATOM 0 HA TRP A 22 -1.300 5.490 -12.198 1.00 1.15 H new ATOM 0 HB2 TRP A 22 0.942 3.731 -13.226 1.00 1.19 H new ATOM 0 HB3 TRP A 22 0.914 4.182 -11.533 1.00 1.19 H new ATOM 0 HD1 TRP A 22 -1.883 3.095 -14.009 1.00 1.40 H new ATOM 0 HE1 TRP A 22 -3.322 1.254 -12.909 1.00 1.52 H new ATOM 0 HE3 TRP A 22 0.583 2.712 -9.553 1.00 1.94 H new ATOM 0 HZ2 TRP A 22 -3.369 -0.180 -10.403 1.00 1.97 H new ATOM 0 HZ3 TRP A 22 -0.180 1.102 -7.828 1.00 2.42 H new ATOM 0 HH2 TRP A 22 -2.149 -0.342 -8.246 1.00 2.39 H new ATOM 326 N SER A 23 1.198 6.516 -11.331 1.00 1.20 N ATOM 327 CA SER A 23 2.126 7.626 -10.975 1.00 1.36 C ATOM 328 C SER A 23 3.321 7.074 -10.195 1.00 1.28 C ATOM 329 O SER A 23 3.169 6.315 -9.258 1.00 1.33 O ATOM 330 CB SER A 23 1.379 8.648 -10.116 1.00 1.45 C ATOM 331 OG SER A 23 0.802 9.636 -10.959 1.00 1.64 O ATOM 0 H SER A 23 1.117 5.776 -10.634 1.00 1.20 H new ATOM 0 HA SER A 23 2.487 8.105 -11.885 1.00 1.36 H new ATOM 0 HB2 SER A 23 0.603 8.152 -9.533 1.00 1.45 H new ATOM 0 HB3 SER A 23 2.063 9.113 -9.406 1.00 1.45 H new ATOM 0 HG SER A 23 0.614 9.247 -11.839 1.00 1.64 H new ATOM 337 N LEU A 24 4.512 7.452 -10.576 1.00 1.31 N ATOM 338 CA LEU A 24 5.721 6.953 -9.860 1.00 1.25 C ATOM 339 C LEU A 24 6.741 8.085 -9.733 1.00 1.30 C ATOM 340 O LEU A 24 6.822 8.957 -10.575 1.00 1.47 O ATOM 341 CB LEU A 24 6.338 5.794 -10.647 1.00 1.40 C ATOM 342 CG LEU A 24 5.240 5.048 -11.406 1.00 1.44 C ATOM 343 CD1 LEU A 24 4.793 5.876 -12.614 1.00 2.02 C ATOM 344 CD2 LEU A 24 5.779 3.698 -11.884 1.00 2.05 C ATOM 0 H LEU A 24 4.700 8.086 -11.353 1.00 1.31 H new ATOM 0 HA LEU A 24 5.438 6.606 -8.866 1.00 1.25 H new ATOM 0 HB2 LEU A 24 7.085 6.172 -11.345 1.00 1.40 H new ATOM 0 HB3 LEU A 24 6.852 5.113 -9.969 1.00 1.40 H new ATOM 0 HG LEU A 24 4.389 4.888 -10.744 1.00 1.44 H new ATOM 0 HD11 LEU A 24 4.011 5.341 -13.152 1.00 2.02 H new ATOM 0 HD12 LEU A 24 4.407 6.837 -12.274 1.00 2.02 H new ATOM 0 HD13 LEU A 24 5.642 6.040 -13.277 1.00 2.02 H new ATOM 0 HD21 LEU A 24 4.997 3.165 -12.425 1.00 2.05 H new ATOM 0 HD22 LEU A 24 6.632 3.860 -12.544 1.00 2.05 H new ATOM 0 HD23 LEU A 24 6.093 3.106 -11.024 1.00 2.05 H new ATOM 356 N TYR A 25 7.522 8.083 -8.685 1.00 1.23 N ATOM 357 CA TYR A 25 8.532 9.165 -8.511 1.00 1.38 C ATOM 358 C TYR A 25 9.030 9.180 -7.063 1.00 1.34 C ATOM 359 O TYR A 25 8.766 8.277 -6.294 1.00 1.42 O ATOM 360 CB TYR A 25 7.890 10.515 -8.838 1.00 1.72 C ATOM 361 CG TYR A 25 6.413 10.474 -8.517 1.00 1.09 C ATOM 362 CD1 TYR A 25 5.938 9.679 -7.465 1.00 1.22 C ATOM 363 CD2 TYR A 25 5.516 11.238 -9.275 1.00 1.62 C ATOM 364 CE1 TYR A 25 4.570 9.648 -7.172 1.00 1.27 C ATOM 365 CE2 TYR A 25 4.147 11.206 -8.980 1.00 1.57 C ATOM 366 CZ TYR A 25 3.674 10.412 -7.929 1.00 1.08 C ATOM 367 OH TYR A 25 2.325 10.383 -7.638 1.00 1.63 O ATOM 0 H TYR A 25 7.504 7.381 -7.945 1.00 1.23 H new ATOM 0 HA TYR A 25 9.373 8.984 -9.181 1.00 1.38 H new ATOM 0 HB2 TYR A 25 8.374 11.306 -8.265 1.00 1.72 H new ATOM 0 HB3 TYR A 25 8.035 10.751 -9.892 1.00 1.72 H new ATOM 0 HD1 TYR A 25 6.628 9.090 -6.880 1.00 1.22 H new ATOM 0 HD2 TYR A 25 5.880 11.851 -10.086 1.00 1.62 H new ATOM 0 HE1 TYR A 25 4.205 9.034 -6.362 1.00 1.27 H new ATOM 0 HE2 TYR A 25 3.456 11.795 -9.564 1.00 1.57 H new ATOM 0 HH TYR A 25 1.844 10.970 -8.258 1.00 1.63 H new ATOM 377 N GLY A 26 9.742 10.208 -6.685 1.00 1.33 N ATOM 378 CA GLY A 26 10.249 10.292 -5.285 1.00 1.32 C ATOM 379 C GLY A 26 11.439 9.348 -5.099 1.00 1.25 C ATOM 380 O GLY A 26 12.253 9.535 -4.217 1.00 1.70 O ATOM 0 H GLY A 26 9.994 10.993 -7.285 1.00 1.33 H new ATOM 0 HA2 GLY A 26 10.548 11.316 -5.059 1.00 1.32 H new ATOM 0 HA3 GLY A 26 9.455 10.030 -4.586 1.00 1.32 H new ATOM 384 N THR A 27 11.553 8.338 -5.918 1.00 0.93 N ATOM 385 CA THR A 27 12.699 7.396 -5.770 1.00 0.90 C ATOM 386 C THR A 27 13.663 7.586 -6.945 1.00 0.92 C ATOM 387 O THR A 27 13.882 8.689 -7.408 1.00 0.97 O ATOM 388 CB THR A 27 12.163 5.955 -5.743 1.00 0.88 C ATOM 389 OG1 THR A 27 13.017 5.091 -6.476 1.00 0.73 O ATOM 390 CG2 THR A 27 10.760 5.916 -6.348 1.00 0.95 C ATOM 0 H THR A 27 10.907 8.125 -6.678 1.00 0.93 H new ATOM 0 HA THR A 27 13.233 7.594 -4.841 1.00 0.90 H new ATOM 0 HB THR A 27 12.127 5.618 -4.707 1.00 0.88 H new ATOM 0 HG1 THR A 27 13.750 4.789 -5.899 1.00 0.73 H new ATOM 0 HG21 THR A 27 10.383 4.893 -6.327 1.00 0.95 H new ATOM 0 HG22 THR A 27 10.096 6.559 -5.770 1.00 0.95 H new ATOM 0 HG23 THR A 27 10.798 6.268 -7.379 1.00 0.95 H new ATOM 398 N SER A 28 14.233 6.524 -7.436 1.00 1.12 N ATOM 399 CA SER A 28 15.173 6.638 -8.585 1.00 1.40 C ATOM 400 C SER A 28 14.392 6.486 -9.889 1.00 1.29 C ATOM 401 O SER A 28 13.627 5.556 -10.055 1.00 0.98 O ATOM 402 CB SER A 28 16.231 5.538 -8.490 1.00 1.80 C ATOM 403 OG SER A 28 15.598 4.270 -8.586 1.00 1.73 O ATOM 0 H SER A 28 14.088 5.576 -7.089 1.00 1.12 H new ATOM 0 HA SER A 28 15.663 7.611 -8.563 1.00 1.40 H new ATOM 0 HB2 SER A 28 16.964 5.653 -9.288 1.00 1.80 H new ATOM 0 HB3 SER A 28 16.771 5.617 -7.547 1.00 1.80 H new ATOM 0 HG SER A 28 16.207 3.632 -9.014 1.00 1.73 H new ATOM 409 N GLU A 29 14.575 7.387 -10.815 1.00 1.62 N ATOM 410 CA GLU A 29 13.841 7.288 -12.108 1.00 1.60 C ATOM 411 C GLU A 29 13.657 5.812 -12.476 1.00 1.23 C ATOM 412 O GLU A 29 14.557 5.185 -13.000 1.00 1.37 O ATOM 413 CB GLU A 29 14.647 7.987 -13.205 1.00 2.07 C ATOM 414 CG GLU A 29 14.181 9.439 -13.334 1.00 1.86 C ATOM 415 CD GLU A 29 14.776 10.055 -14.602 1.00 1.99 C ATOM 416 OE1 GLU A 29 15.690 9.463 -15.152 1.00 2.35 O ATOM 417 OE2 GLU A 29 14.308 11.109 -15.000 1.00 2.40 O ATOM 0 H GLU A 29 15.201 8.188 -10.732 1.00 1.62 H new ATOM 0 HA GLU A 29 12.866 7.765 -12.011 1.00 1.60 H new ATOM 0 HB2 GLU A 29 15.710 7.955 -12.966 1.00 2.07 H new ATOM 0 HB3 GLU A 29 14.517 7.467 -14.154 1.00 2.07 H new ATOM 0 HG2 GLU A 29 13.092 9.481 -13.373 1.00 1.86 H new ATOM 0 HG3 GLU A 29 14.491 10.011 -12.459 1.00 1.86 H new ATOM 424 N PRO A 30 12.505 5.258 -12.198 1.00 0.95 N ATOM 425 CA PRO A 30 12.213 3.829 -12.502 1.00 0.81 C ATOM 426 C PRO A 30 12.636 3.452 -13.923 1.00 0.80 C ATOM 427 O PRO A 30 12.572 4.256 -14.832 1.00 0.86 O ATOM 428 CB PRO A 30 10.694 3.728 -12.350 1.00 0.94 C ATOM 429 CG PRO A 30 10.315 4.821 -11.407 1.00 1.13 C ATOM 430 CD PRO A 30 11.356 5.931 -11.569 1.00 1.10 C ATOM 0 HA PRO A 30 12.759 3.151 -11.846 1.00 0.81 H new ATOM 0 HB2 PRO A 30 10.194 3.848 -13.311 1.00 0.94 H new ATOM 0 HB3 PRO A 30 10.403 2.753 -11.959 1.00 0.94 H new ATOM 0 HG2 PRO A 30 9.315 5.194 -11.630 1.00 1.13 H new ATOM 0 HG3 PRO A 30 10.297 4.456 -10.380 1.00 1.13 H new ATOM 0 HD2 PRO A 30 10.980 6.742 -12.192 1.00 1.10 H new ATOM 0 HD3 PRO A 30 11.627 6.367 -10.607 1.00 1.10 H new ATOM 438 N VAL A 31 13.078 2.242 -14.126 1.00 0.80 N ATOM 439 CA VAL A 31 13.512 1.834 -15.493 1.00 0.82 C ATOM 440 C VAL A 31 12.808 0.538 -15.901 1.00 0.78 C ATOM 441 O VAL A 31 13.001 -0.500 -15.301 1.00 0.84 O ATOM 442 CB VAL A 31 15.025 1.614 -15.500 1.00 0.92 C ATOM 443 CG1 VAL A 31 15.596 2.042 -16.853 1.00 0.99 C ATOM 444 CG2 VAL A 31 15.667 2.447 -14.389 1.00 1.05 C ATOM 0 H VAL A 31 13.158 1.521 -13.409 1.00 0.80 H new ATOM 0 HA VAL A 31 13.250 2.620 -16.201 1.00 0.82 H new ATOM 0 HB VAL A 31 15.239 0.559 -15.332 1.00 0.92 H new ATOM 0 HG11 VAL A 31 16.675 1.885 -16.859 1.00 0.99 H new ATOM 0 HG12 VAL A 31 15.139 1.449 -17.645 1.00 0.99 H new ATOM 0 HG13 VAL A 31 15.382 3.097 -17.021 1.00 0.99 H new ATOM 0 HG21 VAL A 31 16.746 2.290 -14.394 1.00 1.05 H new ATOM 0 HG22 VAL A 31 15.453 3.503 -14.556 1.00 1.05 H new ATOM 0 HG23 VAL A 31 15.260 2.142 -13.425 1.00 1.05 H new ATOM 454 N PHE A 32 12.003 0.592 -16.929 1.00 0.74 N ATOM 455 CA PHE A 32 11.295 -0.636 -17.394 1.00 0.77 C ATOM 456 C PHE A 32 12.271 -1.525 -18.170 1.00 0.87 C ATOM 457 O PHE A 32 12.417 -1.411 -19.370 1.00 1.19 O ATOM 458 CB PHE A 32 10.115 -0.245 -18.288 1.00 0.78 C ATOM 459 CG PHE A 32 10.392 1.072 -18.975 1.00 0.93 C ATOM 460 CD1 PHE A 32 11.698 1.424 -19.336 1.00 1.63 C ATOM 461 CD2 PHE A 32 9.331 1.943 -19.252 1.00 1.50 C ATOM 462 CE1 PHE A 32 11.941 2.647 -19.975 1.00 1.82 C ATOM 463 CE2 PHE A 32 9.574 3.165 -19.889 1.00 1.78 C ATOM 464 CZ PHE A 32 10.879 3.517 -20.251 1.00 1.56 C ATOM 0 H PHE A 32 11.805 1.435 -17.468 1.00 0.74 H new ATOM 0 HA PHE A 32 10.918 -1.187 -16.532 1.00 0.77 H new ATOM 0 HB2 PHE A 32 9.941 -1.022 -19.033 1.00 0.78 H new ATOM 0 HB3 PHE A 32 9.207 -0.167 -17.690 1.00 0.78 H new ATOM 0 HD1 PHE A 32 12.517 0.754 -19.122 1.00 1.63 H new ATOM 0 HD2 PHE A 32 8.324 1.671 -18.974 1.00 1.50 H new ATOM 0 HE1 PHE A 32 12.948 2.919 -20.255 1.00 1.82 H new ATOM 0 HE2 PHE A 32 8.755 3.836 -20.101 1.00 1.78 H new ATOM 0 HZ PHE A 32 11.067 4.460 -20.743 1.00 1.56 H new ATOM 474 N ALA A 33 12.944 -2.406 -17.482 1.00 0.77 N ATOM 475 CA ALA A 33 13.923 -3.303 -18.161 1.00 0.84 C ATOM 476 C ALA A 33 13.244 -4.062 -19.303 1.00 0.67 C ATOM 477 O ALA A 33 12.443 -3.519 -20.038 1.00 0.92 O ATOM 478 CB ALA A 33 14.478 -4.305 -17.146 1.00 1.17 C ATOM 0 H ALA A 33 12.858 -2.544 -16.475 1.00 0.77 H new ATOM 0 HA ALA A 33 14.733 -2.700 -18.570 1.00 0.84 H new ATOM 0 HB1 ALA A 33 15.194 -4.963 -17.638 1.00 1.17 H new ATOM 0 HB2 ALA A 33 14.975 -3.767 -16.338 1.00 1.17 H new ATOM 0 HB3 ALA A 33 13.661 -4.899 -16.737 1.00 1.17 H new ATOM 484 N ASP A 34 13.573 -5.315 -19.466 1.00 0.77 N ATOM 485 CA ASP A 34 12.969 -6.115 -20.566 1.00 0.85 C ATOM 486 C ASP A 34 11.486 -6.371 -20.286 1.00 0.84 C ATOM 487 O ASP A 34 10.872 -7.220 -20.900 1.00 0.99 O ATOM 488 CB ASP A 34 13.701 -7.454 -20.681 1.00 1.13 C ATOM 489 CG ASP A 34 15.109 -7.318 -20.097 1.00 1.54 C ATOM 490 OD1 ASP A 34 15.220 -6.845 -18.977 1.00 1.78 O ATOM 491 OD2 ASP A 34 16.050 -7.688 -20.778 1.00 2.21 O ATOM 0 H ASP A 34 14.238 -5.820 -18.880 1.00 0.77 H new ATOM 0 HA ASP A 34 13.062 -5.559 -21.499 1.00 0.85 H new ATOM 0 HB2 ASP A 34 13.149 -8.229 -20.150 1.00 1.13 H new ATOM 0 HB3 ASP A 34 13.757 -7.761 -21.725 1.00 1.13 H new ATOM 496 N GLY A 35 10.900 -5.646 -19.373 1.00 0.84 N ATOM 497 CA GLY A 35 9.455 -5.866 -19.080 1.00 1.02 C ATOM 498 C GLY A 35 9.159 -5.565 -17.609 1.00 0.90 C ATOM 499 O GLY A 35 8.019 -5.563 -17.188 1.00 1.19 O ATOM 0 H GLY A 35 11.354 -4.917 -18.822 1.00 0.84 H new ATOM 0 HA2 GLY A 35 8.846 -5.226 -19.719 1.00 1.02 H new ATOM 0 HA3 GLY A 35 9.183 -6.896 -19.309 1.00 1.02 H new ATOM 503 N ARG A 36 10.165 -5.310 -16.819 1.00 0.66 N ATOM 504 CA ARG A 36 9.914 -5.012 -15.380 1.00 0.63 C ATOM 505 C ARG A 36 10.497 -3.644 -15.025 1.00 0.62 C ATOM 506 O ARG A 36 11.518 -3.238 -15.544 1.00 0.68 O ATOM 507 CB ARG A 36 10.572 -6.084 -14.509 1.00 0.70 C ATOM 508 CG ARG A 36 11.646 -6.816 -15.313 1.00 1.16 C ATOM 509 CD ARG A 36 12.530 -7.619 -14.357 1.00 1.40 C ATOM 510 NE ARG A 36 13.950 -7.189 -14.511 1.00 2.02 N ATOM 511 CZ ARG A 36 14.485 -7.064 -15.696 1.00 2.19 C ATOM 512 NH1 ARG A 36 13.806 -7.389 -16.761 1.00 2.28 N ATOM 513 NH2 ARG A 36 15.711 -6.629 -15.813 1.00 2.91 N ATOM 0 H ARG A 36 11.144 -5.295 -17.104 1.00 0.66 H new ATOM 0 HA ARG A 36 8.839 -5.006 -15.200 1.00 0.63 H new ATOM 0 HB2 ARG A 36 11.015 -5.626 -13.625 1.00 0.70 H new ATOM 0 HB3 ARG A 36 9.821 -6.792 -14.158 1.00 0.70 H new ATOM 0 HG2 ARG A 36 11.182 -7.480 -16.042 1.00 1.16 H new ATOM 0 HG3 ARG A 36 12.250 -6.101 -15.872 1.00 1.16 H new ATOM 0 HD2 ARG A 36 12.203 -7.467 -13.328 1.00 1.40 H new ATOM 0 HD3 ARG A 36 12.437 -8.684 -14.567 1.00 1.40 H new ATOM 0 HE ARG A 36 14.510 -6.990 -13.682 1.00 2.02 H new ATOM 0 HH11 ARG A 36 12.853 -7.742 -16.670 1.00 2.28 H new ATOM 0 HH12 ARG A 36 14.228 -7.290 -17.685 1.00 2.28 H new ATOM 0 HH21 ARG A 36 16.248 -6.388 -14.980 1.00 2.91 H new ATOM 0 HH22 ARG A 36 16.131 -6.530 -16.737 1.00 2.91 H new ATOM 527 N MET A 37 9.859 -2.935 -14.136 1.00 0.63 N ATOM 528 CA MET A 37 10.375 -1.596 -13.736 1.00 0.67 C ATOM 529 C MET A 37 10.904 -1.677 -12.305 1.00 0.68 C ATOM 530 O MET A 37 10.237 -2.170 -11.416 1.00 0.67 O ATOM 531 CB MET A 37 9.246 -0.566 -13.809 1.00 0.71 C ATOM 532 CG MET A 37 9.643 0.684 -13.021 1.00 0.75 C ATOM 533 SD MET A 37 9.319 0.415 -11.261 1.00 0.88 S ATOM 534 CE MET A 37 7.943 1.581 -11.104 1.00 0.93 C ATOM 0 H MET A 37 9.001 -3.226 -13.668 1.00 0.63 H new ATOM 0 HA MET A 37 11.177 -1.293 -14.410 1.00 0.67 H new ATOM 0 HB2 MET A 37 9.044 -0.305 -14.848 1.00 0.71 H new ATOM 0 HB3 MET A 37 8.327 -0.989 -13.402 1.00 0.71 H new ATOM 0 HG2 MET A 37 10.699 0.906 -13.178 1.00 0.75 H new ATOM 0 HG3 MET A 37 9.080 1.546 -13.378 1.00 0.75 H new ATOM 0 HE1 MET A 37 7.368 1.347 -10.208 1.00 0.93 H new ATOM 0 HE2 MET A 37 8.333 2.596 -11.030 1.00 0.93 H new ATOM 0 HE3 MET A 37 7.298 1.503 -11.979 1.00 0.93 H new ATOM 544 N CYS A 38 12.099 -1.212 -12.072 1.00 0.73 N ATOM 545 CA CYS A 38 12.657 -1.287 -10.694 1.00 0.78 C ATOM 546 C CYS A 38 13.206 0.073 -10.262 1.00 0.89 C ATOM 547 O CYS A 38 13.735 0.828 -11.053 1.00 0.88 O ATOM 548 CB CYS A 38 13.780 -2.326 -10.654 1.00 0.79 C ATOM 549 SG CYS A 38 13.169 -3.898 -11.315 1.00 1.06 S ATOM 0 H CYS A 38 12.709 -0.787 -12.770 1.00 0.73 H new ATOM 0 HA CYS A 38 11.860 -1.577 -10.009 1.00 0.78 H new ATOM 0 HB2 CYS A 38 14.632 -1.979 -11.239 1.00 0.79 H new ATOM 0 HB3 CYS A 38 14.130 -2.461 -9.630 1.00 0.79 H new ATOM 554 N VAL A 39 13.085 0.377 -8.998 1.00 1.04 N ATOM 555 CA VAL A 39 13.601 1.673 -8.476 1.00 1.18 C ATOM 556 C VAL A 39 14.731 1.384 -7.485 1.00 1.37 C ATOM 557 O VAL A 39 15.008 0.244 -7.171 1.00 1.26 O ATOM 558 CB VAL A 39 12.472 2.418 -7.760 1.00 1.18 C ATOM 559 CG1 VAL A 39 11.834 3.424 -8.719 1.00 1.26 C ATOM 560 CG2 VAL A 39 11.414 1.413 -7.299 1.00 1.26 C ATOM 0 H VAL A 39 12.647 -0.223 -8.299 1.00 1.04 H new ATOM 0 HA VAL A 39 13.972 2.287 -9.297 1.00 1.18 H new ATOM 0 HB VAL A 39 12.876 2.947 -6.896 1.00 1.18 H new ATOM 0 HG11 VAL A 39 11.030 3.954 -8.208 1.00 1.26 H new ATOM 0 HG12 VAL A 39 12.587 4.139 -9.050 1.00 1.26 H new ATOM 0 HG13 VAL A 39 11.429 2.897 -9.583 1.00 1.26 H new ATOM 0 HG21 VAL A 39 10.609 1.941 -6.789 1.00 1.26 H new ATOM 0 HG22 VAL A 39 11.011 0.886 -8.164 1.00 1.26 H new ATOM 0 HG23 VAL A 39 11.867 0.695 -6.616 1.00 1.26 H new ATOM 570 N ASP A 40 15.387 2.397 -6.988 1.00 1.71 N ATOM 571 CA ASP A 40 16.495 2.156 -6.019 1.00 1.97 C ATOM 572 C ASP A 40 16.364 3.117 -4.837 1.00 1.61 C ATOM 573 O ASP A 40 16.121 4.296 -5.007 1.00 2.31 O ATOM 574 CB ASP A 40 17.838 2.386 -6.715 1.00 3.21 C ATOM 575 CG ASP A 40 17.790 1.795 -8.126 1.00 4.09 C ATOM 576 OD1 ASP A 40 16.879 2.140 -8.860 1.00 4.39 O ATOM 577 OD2 ASP A 40 18.665 1.010 -8.447 1.00 4.79 O ATOM 0 H ASP A 40 15.206 3.376 -7.209 1.00 1.71 H new ATOM 0 HA ASP A 40 16.441 1.129 -5.657 1.00 1.97 H new ATOM 0 HB2 ASP A 40 18.056 3.453 -6.763 1.00 3.21 H new ATOM 0 HB3 ASP A 40 18.641 1.922 -6.142 1.00 3.21 H new ATOM 582 N LEU A 41 16.524 2.626 -3.635 1.00 1.25 N ATOM 583 CA LEU A 41 16.409 3.520 -2.448 1.00 1.86 C ATOM 584 C LEU A 41 17.541 3.240 -1.454 1.00 1.67 C ATOM 585 O LEU A 41 17.295 2.871 -0.321 1.00 1.20 O ATOM 586 CB LEU A 41 15.078 3.268 -1.734 1.00 2.45 C ATOM 587 CG LEU A 41 13.909 3.875 -2.520 1.00 2.88 C ATOM 588 CD1 LEU A 41 14.187 5.353 -2.813 1.00 2.65 C ATOM 589 CD2 LEU A 41 13.718 3.121 -3.838 1.00 3.54 C ATOM 0 H LEU A 41 16.728 1.649 -3.426 1.00 1.25 H new ATOM 0 HA LEU A 41 16.467 4.552 -2.795 1.00 1.86 H new ATOM 0 HB2 LEU A 41 14.923 2.196 -1.614 1.00 2.45 H new ATOM 0 HB3 LEU A 41 15.111 3.699 -0.733 1.00 2.45 H new ATOM 0 HG LEU A 41 13.002 3.791 -1.922 1.00 2.88 H new ATOM 0 HD11 LEU A 41 13.352 5.777 -3.371 1.00 2.65 H new ATOM 0 HD12 LEU A 41 14.307 5.894 -1.874 1.00 2.65 H new ATOM 0 HD13 LEU A 41 15.100 5.442 -3.402 1.00 2.65 H new ATOM 0 HD21 LEU A 41 12.886 3.558 -4.390 1.00 3.54 H new ATOM 0 HD22 LEU A 41 14.628 3.194 -4.434 1.00 3.54 H new ATOM 0 HD23 LEU A 41 13.504 2.073 -3.630 1.00 3.54 H new ATOM 601 N PRO A 42 18.771 3.419 -1.863 1.00 2.30 N ATOM 602 CA PRO A 42 19.952 3.204 -0.994 1.00 2.32 C ATOM 603 C PRO A 42 20.480 4.515 -0.399 1.00 1.85 C ATOM 604 O PRO A 42 21.274 4.519 0.520 1.00 2.18 O ATOM 605 CB PRO A 42 20.961 2.643 -1.991 1.00 3.11 C ATOM 606 CG PRO A 42 20.660 3.350 -3.278 1.00 3.74 C ATOM 607 CD PRO A 42 19.201 3.828 -3.207 1.00 3.24 C ATOM 0 HA PRO A 42 19.741 2.567 -0.135 1.00 2.32 H new ATOM 0 HB2 PRO A 42 21.984 2.831 -1.666 1.00 3.11 H new ATOM 0 HB3 PRO A 42 20.853 1.564 -2.098 1.00 3.11 H new ATOM 0 HG2 PRO A 42 21.335 4.194 -3.419 1.00 3.74 H new ATOM 0 HG3 PRO A 42 20.804 2.681 -4.127 1.00 3.74 H new ATOM 0 HD2 PRO A 42 19.125 4.907 -3.342 1.00 3.24 H new ATOM 0 HD3 PRO A 42 18.589 3.366 -3.982 1.00 3.24 H new ATOM 615 N GLY A 43 20.060 5.627 -0.941 1.00 1.69 N ATOM 616 CA GLY A 43 20.545 6.947 -0.442 1.00 1.65 C ATOM 617 C GLY A 43 20.160 7.152 1.025 1.00 1.62 C ATOM 618 O GLY A 43 20.188 6.237 1.824 1.00 2.03 O ATOM 0 H GLY A 43 19.397 5.678 -1.714 1.00 1.69 H new ATOM 0 HA2 GLY A 43 21.628 7.005 -0.549 1.00 1.65 H new ATOM 0 HA3 GLY A 43 20.121 7.747 -1.049 1.00 1.65 H new ATOM 622 N GLY A 44 19.812 8.361 1.381 1.00 1.61 N ATOM 623 CA GLY A 44 19.435 8.657 2.791 1.00 2.13 C ATOM 624 C GLY A 44 18.156 9.496 2.817 1.00 2.06 C ATOM 625 O GLY A 44 18.194 10.696 2.999 1.00 2.41 O ATOM 0 H GLY A 44 19.773 9.161 0.749 1.00 1.61 H new ATOM 0 HA2 GLY A 44 19.283 7.728 3.340 1.00 2.13 H new ATOM 0 HA3 GLY A 44 20.243 9.193 3.289 1.00 2.13 H new ATOM 629 N GLN A 45 17.022 8.877 2.634 1.00 1.86 N ATOM 630 CA GLN A 45 15.744 9.640 2.647 1.00 1.96 C ATOM 631 C GLN A 45 15.072 9.485 4.013 1.00 1.90 C ATOM 632 O GLN A 45 14.866 8.388 4.494 1.00 1.92 O ATOM 633 CB GLN A 45 14.817 9.094 1.559 1.00 2.10 C ATOM 634 CG GLN A 45 15.057 9.856 0.254 1.00 2.29 C ATOM 635 CD GLN A 45 14.164 9.279 -0.846 1.00 2.34 C ATOM 636 OE1 GLN A 45 13.464 8.309 -0.630 1.00 2.96 O ATOM 637 NE2 GLN A 45 14.157 9.838 -2.025 1.00 2.07 N ATOM 0 H GLN A 45 16.926 7.874 2.476 1.00 1.86 H new ATOM 0 HA GLN A 45 15.946 10.694 2.459 1.00 1.96 H new ATOM 0 HB2 GLN A 45 15.001 8.030 1.410 1.00 2.10 H new ATOM 0 HB3 GLN A 45 13.777 9.198 1.867 1.00 2.10 H new ATOM 0 HG2 GLN A 45 14.841 10.915 0.394 1.00 2.29 H new ATOM 0 HG3 GLN A 45 16.105 9.780 -0.036 1.00 2.29 H new ATOM 0 HE21 GLN A 45 14.744 10.652 -2.207 1.00 2.07 H new ATOM 0 HE22 GLN A 45 13.564 9.461 -2.765 1.00 2.07 H new ATOM 646 N GLY A 46 14.730 10.575 4.644 1.00 2.04 N ATOM 647 CA GLY A 46 14.074 10.488 5.979 1.00 2.08 C ATOM 648 C GLY A 46 12.585 10.814 5.841 1.00 2.01 C ATOM 649 O GLY A 46 12.103 11.796 6.370 1.00 2.08 O ATOM 0 H GLY A 46 14.876 11.521 4.293 1.00 2.04 H new ATOM 0 HA2 GLY A 46 14.201 9.488 6.393 1.00 2.08 H new ATOM 0 HA3 GLY A 46 14.546 11.183 6.673 1.00 2.08 H new ATOM 653 N ASN A 47 11.852 9.997 5.135 1.00 2.09 N ATOM 654 CA ASN A 47 10.396 10.259 4.965 1.00 2.14 C ATOM 655 C ASN A 47 9.747 9.076 4.237 1.00 1.80 C ATOM 656 O ASN A 47 10.276 8.582 3.260 1.00 1.63 O ATOM 657 CB ASN A 47 10.203 11.534 4.142 1.00 2.60 C ATOM 658 CG ASN A 47 11.382 11.703 3.179 1.00 2.84 C ATOM 659 OD1 ASN A 47 12.085 10.657 2.840 1.00 2.65 O flip ATOM 660 ND2 ASN A 47 11.665 12.797 2.734 1.00 3.61 N flip ATOM 0 H ASN A 47 12.199 9.159 4.669 1.00 2.09 H new ATOM 0 HA ASN A 47 9.930 10.383 5.943 1.00 2.14 H new ATOM 0 HB2 ASN A 47 9.268 11.481 3.584 1.00 2.60 H new ATOM 0 HB3 ASN A 47 10.132 12.398 4.802 1.00 2.60 H new ATOM 0 HD21 ASN A 47 11.115 13.614 3.000 1.00 3.61 H new ATOM 0 HD22 ASN A 47 12.453 12.899 2.094 1.00 3.61 H new ATOM 667 N PRO A 48 8.612 8.623 4.703 1.00 1.85 N ATOM 668 CA PRO A 48 7.889 7.477 4.080 1.00 1.74 C ATOM 669 C PRO A 48 7.172 7.874 2.786 1.00 1.36 C ATOM 670 O PRO A 48 6.735 7.031 2.027 1.00 1.19 O ATOM 671 CB PRO A 48 6.872 7.070 5.147 1.00 2.19 C ATOM 672 CG PRO A 48 6.608 8.313 5.930 1.00 2.36 C ATOM 673 CD PRO A 48 7.890 9.147 5.876 1.00 2.21 C ATOM 0 HA PRO A 48 8.571 6.676 3.795 1.00 1.74 H new ATOM 0 HB2 PRO A 48 5.957 6.688 4.694 1.00 2.19 H new ATOM 0 HB3 PRO A 48 7.266 6.279 5.785 1.00 2.19 H new ATOM 0 HG2 PRO A 48 5.769 8.866 5.508 1.00 2.36 H new ATOM 0 HG3 PRO A 48 6.345 8.073 6.960 1.00 2.36 H new ATOM 0 HD2 PRO A 48 7.670 10.209 5.767 1.00 2.21 H new ATOM 0 HD3 PRO A 48 8.477 9.035 6.788 1.00 2.21 H new ATOM 681 N TRP A 49 7.043 9.146 2.530 1.00 1.49 N ATOM 682 CA TRP A 49 6.351 9.588 1.287 1.00 1.39 C ATOM 683 C TRP A 49 7.354 10.239 0.333 1.00 1.17 C ATOM 684 O TRP A 49 7.054 11.210 -0.332 1.00 1.45 O ATOM 685 CB TRP A 49 5.250 10.589 1.647 1.00 1.79 C ATOM 686 CG TRP A 49 5.623 11.319 2.898 1.00 1.85 C ATOM 687 CD1 TRP A 49 5.058 11.113 4.111 1.00 1.69 C ATOM 688 CD2 TRP A 49 6.624 12.363 3.087 1.00 2.46 C ATOM 689 NE1 TRP A 49 5.646 11.962 5.030 1.00 1.97 N ATOM 690 CE2 TRP A 49 6.617 12.752 4.448 1.00 2.36 C ATOM 691 CE3 TRP A 49 7.527 13.003 2.220 1.00 3.27 C ATOM 692 CZ2 TRP A 49 7.476 13.742 4.932 1.00 2.90 C ATOM 693 CZ3 TRP A 49 8.393 13.997 2.702 1.00 3.87 C ATOM 694 CH2 TRP A 49 8.367 14.367 4.053 1.00 3.62 C ATOM 0 H TRP A 49 7.387 9.898 3.127 1.00 1.49 H new ATOM 0 HA TRP A 49 5.908 8.723 0.794 1.00 1.39 H new ATOM 0 HB2 TRP A 49 5.107 11.297 0.830 1.00 1.79 H new ATOM 0 HB3 TRP A 49 4.303 10.068 1.787 1.00 1.79 H new ATOM 0 HD1 TRP A 49 4.275 10.401 4.326 1.00 1.69 H new ATOM 0 HE1 TRP A 49 5.393 12.000 6.017 1.00 1.97 H new ATOM 0 HE3 TRP A 49 7.555 12.728 1.176 1.00 3.27 H new ATOM 0 HZ2 TRP A 49 7.452 14.022 5.975 1.00 2.90 H new ATOM 0 HZ3 TRP A 49 9.084 14.480 2.027 1.00 3.87 H new ATOM 0 HH2 TRP A 49 9.035 15.135 4.416 1.00 3.62 H new ATOM 705 N ASP A 50 8.543 9.706 0.253 1.00 1.07 N ATOM 706 CA ASP A 50 9.562 10.289 -0.664 1.00 1.36 C ATOM 707 C ASP A 50 9.976 9.243 -1.700 1.00 1.21 C ATOM 708 O ASP A 50 11.127 9.148 -2.075 1.00 1.27 O ATOM 709 CB ASP A 50 10.791 10.717 0.142 1.00 1.73 C ATOM 710 CG ASP A 50 10.622 12.169 0.596 1.00 2.02 C ATOM 711 OD1 ASP A 50 9.784 12.408 1.448 1.00 2.38 O ATOM 712 OD2 ASP A 50 11.336 13.015 0.083 1.00 2.14 O ATOM 0 H ASP A 50 8.852 8.892 0.784 1.00 1.07 H new ATOM 0 HA ASP A 50 9.138 11.156 -1.170 1.00 1.36 H new ATOM 0 HB2 ASP A 50 10.916 10.066 1.007 1.00 1.73 H new ATOM 0 HB3 ASP A 50 11.691 10.617 -0.465 1.00 1.73 H new ATOM 717 N ALA A 51 9.046 8.455 -2.168 1.00 1.09 N ATOM 718 CA ALA A 51 9.391 7.417 -3.179 1.00 1.02 C ATOM 719 C ALA A 51 8.303 6.342 -3.204 1.00 0.89 C ATOM 720 O ALA A 51 7.866 5.864 -2.175 1.00 0.87 O ATOM 721 CB ALA A 51 10.732 6.778 -2.814 1.00 1.11 C ATOM 0 H ALA A 51 8.064 8.486 -1.894 1.00 1.09 H new ATOM 0 HA ALA A 51 9.463 7.880 -4.163 1.00 1.02 H new ATOM 0 HB1 ALA A 51 10.986 6.018 -3.553 1.00 1.11 H new ATOM 0 HB2 ALA A 51 11.508 7.544 -2.799 1.00 1.11 H new ATOM 0 HB3 ALA A 51 10.659 6.316 -1.829 1.00 1.11 H new ATOM 727 N GLY A 52 7.862 5.956 -4.370 1.00 0.86 N ATOM 728 CA GLY A 52 6.804 4.910 -4.455 1.00 0.86 C ATOM 729 C GLY A 52 5.912 5.171 -5.668 1.00 0.87 C ATOM 730 O GLY A 52 6.271 5.902 -6.571 1.00 0.94 O ATOM 0 H GLY A 52 8.188 6.319 -5.266 1.00 0.86 H new ATOM 0 HA2 GLY A 52 7.261 3.924 -4.534 1.00 0.86 H new ATOM 0 HA3 GLY A 52 6.205 4.912 -3.545 1.00 0.86 H new ATOM 734 N LEU A 53 4.747 4.582 -5.697 1.00 0.83 N ATOM 735 CA LEU A 53 3.831 4.800 -6.850 1.00 0.84 C ATOM 736 C LEU A 53 2.411 5.028 -6.331 1.00 0.79 C ATOM 737 O LEU A 53 2.128 4.832 -5.166 1.00 0.78 O ATOM 738 CB LEU A 53 3.894 3.589 -7.795 1.00 0.85 C ATOM 739 CG LEU A 53 2.648 2.704 -7.671 1.00 0.90 C ATOM 740 CD1 LEU A 53 2.696 1.631 -8.761 1.00 0.90 C ATOM 741 CD2 LEU A 53 2.630 2.022 -6.302 1.00 0.96 C ATOM 0 H LEU A 53 4.391 3.960 -4.971 1.00 0.83 H new ATOM 0 HA LEU A 53 4.137 5.683 -7.411 1.00 0.84 H new ATOM 0 HB2 LEU A 53 3.993 3.936 -8.824 1.00 0.85 H new ATOM 0 HB3 LEU A 53 4.783 2.999 -7.571 1.00 0.85 H new ATOM 0 HG LEU A 53 1.753 3.317 -7.781 1.00 0.90 H new ATOM 0 HD11 LEU A 53 1.815 0.994 -8.684 1.00 0.90 H new ATOM 0 HD12 LEU A 53 2.714 2.108 -9.741 1.00 0.90 H new ATOM 0 HD13 LEU A 53 3.593 1.025 -8.636 1.00 0.90 H new ATOM 0 HD21 LEU A 53 1.742 1.395 -6.220 1.00 0.96 H new ATOM 0 HD22 LEU A 53 3.522 1.405 -6.191 1.00 0.96 H new ATOM 0 HD23 LEU A 53 2.613 2.779 -5.518 1.00 0.96 H new ATOM 753 N VAL A 54 1.516 5.455 -7.179 1.00 0.79 N ATOM 754 CA VAL A 54 0.122 5.702 -6.720 1.00 0.78 C ATOM 755 C VAL A 54 -0.846 5.595 -7.897 1.00 0.80 C ATOM 756 O VAL A 54 -0.454 5.612 -9.047 1.00 0.90 O ATOM 757 CB VAL A 54 0.027 7.098 -6.098 1.00 0.89 C ATOM 758 CG1 VAL A 54 0.786 8.117 -6.951 1.00 0.92 C ATOM 759 CG2 VAL A 54 -1.439 7.526 -5.995 1.00 0.92 C ATOM 0 H VAL A 54 1.690 5.643 -8.166 1.00 0.79 H new ATOM 0 HA VAL A 54 -0.145 4.953 -5.974 1.00 0.78 H new ATOM 0 HB VAL A 54 0.471 7.060 -5.103 1.00 0.89 H new ATOM 0 HG11 VAL A 54 0.708 9.104 -6.494 1.00 0.92 H new ATOM 0 HG12 VAL A 54 1.835 7.829 -7.015 1.00 0.92 H new ATOM 0 HG13 VAL A 54 0.356 8.146 -7.952 1.00 0.92 H new ATOM 0 HG21 VAL A 54 -1.498 8.520 -5.552 1.00 0.92 H new ATOM 0 HG22 VAL A 54 -1.883 7.546 -6.990 1.00 0.92 H new ATOM 0 HG23 VAL A 54 -1.982 6.817 -5.370 1.00 0.92 H new ATOM 769 N TYR A 55 -2.113 5.483 -7.609 1.00 0.78 N ATOM 770 CA TYR A 55 -3.122 5.373 -8.699 1.00 0.82 C ATOM 771 C TYR A 55 -4.527 5.288 -8.094 1.00 0.81 C ATOM 772 O TYR A 55 -4.739 4.659 -7.076 1.00 1.06 O ATOM 773 CB TYR A 55 -2.841 4.114 -9.524 1.00 0.83 C ATOM 774 CG TYR A 55 -3.998 3.850 -10.458 1.00 0.97 C ATOM 775 CD1 TYR A 55 -4.162 4.631 -11.608 1.00 1.59 C ATOM 776 CD2 TYR A 55 -4.906 2.823 -10.175 1.00 1.54 C ATOM 777 CE1 TYR A 55 -5.233 4.386 -12.475 1.00 1.70 C ATOM 778 CE2 TYR A 55 -5.978 2.577 -11.041 1.00 1.71 C ATOM 779 CZ TYR A 55 -6.142 3.359 -12.191 1.00 1.37 C ATOM 780 OH TYR A 55 -7.198 3.117 -13.045 1.00 1.61 O ATOM 0 H TYR A 55 -2.494 5.463 -6.663 1.00 0.78 H new ATOM 0 HA TYR A 55 -3.061 6.251 -9.341 1.00 0.82 H new ATOM 0 HB2 TYR A 55 -1.921 4.239 -10.095 1.00 0.83 H new ATOM 0 HB3 TYR A 55 -2.692 3.260 -8.863 1.00 0.83 H new ATOM 0 HD1 TYR A 55 -3.461 5.423 -11.826 1.00 1.59 H new ATOM 0 HD2 TYR A 55 -4.779 2.220 -9.288 1.00 1.54 H new ATOM 0 HE1 TYR A 55 -5.358 4.988 -13.363 1.00 1.70 H new ATOM 0 HE2 TYR A 55 -6.678 1.784 -10.822 1.00 1.71 H new ATOM 0 HH TYR A 55 -7.732 2.370 -12.702 1.00 1.61 H new ATOM 790 N ASN A 56 -5.487 5.918 -8.715 1.00 0.93 N ATOM 791 CA ASN A 56 -6.876 5.881 -8.188 1.00 1.01 C ATOM 792 C ASN A 56 -7.602 4.661 -8.757 1.00 1.28 C ATOM 793 O ASN A 56 -6.992 3.664 -9.090 1.00 2.04 O ATOM 794 CB ASN A 56 -7.598 7.157 -8.620 1.00 1.81 C ATOM 795 CG ASN A 56 -6.905 8.371 -8.001 1.00 2.22 C ATOM 796 OD1 ASN A 56 -6.063 8.197 -7.019 1.00 2.78 O flip ATOM 797 ND2 ASN A 56 -7.130 9.492 -8.414 1.00 2.47 N flip ATOM 0 H ASN A 56 -5.365 6.460 -9.571 1.00 0.93 H new ATOM 0 HA ASN A 56 -6.863 5.814 -7.100 1.00 1.01 H new ATOM 0 HB2 ASN A 56 -7.595 7.239 -9.707 1.00 1.81 H new ATOM 0 HB3 ASN A 56 -8.641 7.121 -8.306 1.00 1.81 H new ATOM 0 HD21 ASN A 56 -7.788 9.630 -9.181 1.00 2.47 H new ATOM 0 HD22 ASN A 56 -6.661 10.294 -7.993 1.00 2.47 H new ATOM 804 N GLY A 57 -8.899 4.728 -8.871 1.00 1.18 N ATOM 805 CA GLY A 57 -9.661 3.570 -9.418 1.00 1.77 C ATOM 806 C GLY A 57 -9.741 2.467 -8.364 1.00 1.64 C ATOM 807 O GLY A 57 -9.969 1.314 -8.671 1.00 2.48 O ATOM 0 H GLY A 57 -9.465 5.535 -8.609 1.00 1.18 H new ATOM 0 HA2 GLY A 57 -10.664 3.885 -9.707 1.00 1.77 H new ATOM 0 HA3 GLY A 57 -9.174 3.193 -10.317 1.00 1.77 H new ATOM 811 N VAL A 58 -9.555 2.812 -7.119 1.00 1.34 N ATOM 812 CA VAL A 58 -9.620 1.784 -6.042 1.00 1.99 C ATOM 813 C VAL A 58 -10.767 2.117 -5.084 1.00 1.78 C ATOM 814 O VAL A 58 -10.548 2.473 -3.943 1.00 1.95 O ATOM 815 CB VAL A 58 -8.300 1.776 -5.269 1.00 2.93 C ATOM 816 CG1 VAL A 58 -8.215 0.511 -4.411 1.00 3.79 C ATOM 817 CG2 VAL A 58 -7.131 1.802 -6.256 1.00 2.88 C ATOM 0 H VAL A 58 -9.361 3.762 -6.801 1.00 1.34 H new ATOM 0 HA VAL A 58 -9.791 0.803 -6.486 1.00 1.99 H new ATOM 0 HB VAL A 58 -8.253 2.654 -4.625 1.00 2.93 H new ATOM 0 HG11 VAL A 58 -7.274 0.507 -3.861 1.00 3.79 H new ATOM 0 HG12 VAL A 58 -9.047 0.492 -3.707 1.00 3.79 H new ATOM 0 HG13 VAL A 58 -8.264 -0.368 -5.053 1.00 3.79 H new ATOM 0 HG21 VAL A 58 -6.190 1.796 -5.706 1.00 2.88 H new ATOM 0 HG22 VAL A 58 -7.180 0.925 -6.901 1.00 2.88 H new ATOM 0 HG23 VAL A 58 -7.189 2.704 -6.866 1.00 2.88 H new ATOM 827 N PRO A 59 -11.983 2.000 -5.547 1.00 1.85 N ATOM 828 CA PRO A 59 -13.190 2.291 -4.723 1.00 1.84 C ATOM 829 C PRO A 59 -13.405 1.245 -3.625 1.00 1.90 C ATOM 830 O PRO A 59 -12.884 0.150 -3.688 1.00 2.05 O ATOM 831 CB PRO A 59 -14.343 2.252 -5.729 1.00 2.07 C ATOM 832 CG PRO A 59 -13.857 1.411 -6.861 1.00 2.39 C ATOM 833 CD PRO A 59 -12.338 1.577 -6.911 1.00 2.40 C ATOM 0 HA PRO A 59 -13.102 3.245 -4.202 1.00 1.84 H new ATOM 0 HB2 PRO A 59 -15.240 1.826 -5.281 1.00 2.07 H new ATOM 0 HB3 PRO A 59 -14.602 3.255 -6.068 1.00 2.07 H new ATOM 0 HG2 PRO A 59 -14.127 0.366 -6.711 1.00 2.39 H new ATOM 0 HG3 PRO A 59 -14.312 1.726 -7.800 1.00 2.39 H new ATOM 0 HD2 PRO A 59 -11.843 0.644 -7.182 1.00 2.40 H new ATOM 0 HD3 PRO A 59 -12.042 2.321 -7.650 1.00 2.40 H new ATOM 841 N VAL A 60 -14.169 1.575 -2.619 1.00 2.10 N ATOM 842 CA VAL A 60 -14.413 0.600 -1.520 1.00 2.46 C ATOM 843 C VAL A 60 -15.776 0.875 -0.883 1.00 2.53 C ATOM 844 O VAL A 60 -16.107 1.999 -0.565 1.00 2.50 O ATOM 845 CB VAL A 60 -13.317 0.740 -0.461 1.00 2.79 C ATOM 846 CG1 VAL A 60 -13.438 -0.398 0.554 1.00 3.08 C ATOM 847 CG2 VAL A 60 -11.946 0.678 -1.136 1.00 2.93 C ATOM 0 H VAL A 60 -14.634 2.477 -2.512 1.00 2.10 H new ATOM 0 HA VAL A 60 -14.401 -0.412 -1.925 1.00 2.46 H new ATOM 0 HB VAL A 60 -13.427 1.696 0.051 1.00 2.79 H new ATOM 0 HG11 VAL A 60 -12.657 -0.298 1.308 1.00 3.08 H new ATOM 0 HG12 VAL A 60 -14.415 -0.354 1.035 1.00 3.08 H new ATOM 0 HG13 VAL A 60 -13.328 -1.355 0.043 1.00 3.08 H new ATOM 0 HG21 VAL A 60 -11.165 0.778 -0.383 1.00 2.93 H new ATOM 0 HG22 VAL A 60 -11.836 -0.277 -1.649 1.00 2.93 H new ATOM 0 HG23 VAL A 60 -11.859 1.490 -1.858 1.00 2.93 H new ATOM 857 N GLY A 61 -16.570 -0.144 -0.694 1.00 2.83 N ATOM 858 CA GLY A 61 -17.910 0.059 -0.075 1.00 3.05 C ATOM 859 C GLY A 61 -17.908 -0.510 1.344 1.00 2.72 C ATOM 860 O GLY A 61 -17.963 -1.708 1.542 1.00 2.61 O ATOM 0 H GLY A 61 -16.348 -1.108 -0.942 1.00 2.83 H new ATOM 0 HA2 GLY A 61 -18.155 1.121 -0.052 1.00 3.05 H new ATOM 0 HA3 GLY A 61 -18.677 -0.432 -0.674 1.00 3.05 H new ATOM 864 N GLU A 62 -17.844 0.338 2.333 1.00 3.03 N ATOM 865 CA GLU A 62 -17.837 -0.153 3.740 1.00 2.96 C ATOM 866 C GLU A 62 -18.733 -1.390 3.856 1.00 2.29 C ATOM 867 O GLU A 62 -19.913 -1.341 3.571 1.00 2.02 O ATOM 868 CB GLU A 62 -18.364 0.947 4.665 1.00 4.03 C ATOM 869 CG GLU A 62 -18.953 0.316 5.929 1.00 4.32 C ATOM 870 CD GLU A 62 -20.404 -0.094 5.664 1.00 5.32 C ATOM 871 OE1 GLU A 62 -20.973 0.400 4.705 1.00 6.05 O ATOM 872 OE2 GLU A 62 -20.921 -0.893 6.427 1.00 5.54 O ATOM 0 H GLU A 62 -17.796 1.351 2.227 1.00 3.03 H new ATOM 0 HA GLU A 62 -16.819 -0.415 4.028 1.00 2.96 H new ATOM 0 HB2 GLU A 62 -17.558 1.631 4.930 1.00 4.03 H new ATOM 0 HB3 GLU A 62 -19.125 1.535 4.151 1.00 4.03 H new ATOM 0 HG2 GLU A 62 -18.365 -0.554 6.222 1.00 4.32 H new ATOM 0 HG3 GLU A 62 -18.909 1.024 6.757 1.00 4.32 H new ATOM 879 N GLY A 63 -18.183 -2.497 4.276 1.00 2.54 N ATOM 880 CA GLY A 63 -19.007 -3.730 4.412 1.00 2.46 C ATOM 881 C GLY A 63 -18.303 -4.905 3.728 1.00 2.21 C ATOM 882 O GLY A 63 -18.226 -5.991 4.266 1.00 2.29 O ATOM 0 H GLY A 63 -17.201 -2.600 4.530 1.00 2.54 H new ATOM 0 HA2 GLY A 63 -19.169 -3.955 5.466 1.00 2.46 H new ATOM 0 HA3 GLY A 63 -19.989 -3.573 3.965 1.00 2.46 H new ATOM 886 N GLU A 64 -17.792 -4.698 2.545 1.00 2.23 N ATOM 887 CA GLU A 64 -17.100 -5.806 1.829 1.00 2.27 C ATOM 888 C GLU A 64 -15.585 -5.657 1.984 1.00 2.19 C ATOM 889 O GLU A 64 -15.095 -4.664 2.486 1.00 2.81 O ATOM 890 CB GLU A 64 -17.467 -5.754 0.346 1.00 2.70 C ATOM 891 CG GLU A 64 -18.714 -6.605 0.098 1.00 3.18 C ATOM 892 CD GLU A 64 -18.300 -7.969 -0.460 1.00 3.59 C ATOM 893 OE1 GLU A 64 -17.543 -8.654 0.208 1.00 3.92 O ATOM 894 OE2 GLU A 64 -18.747 -8.304 -1.544 1.00 4.03 O ATOM 0 H GLU A 64 -17.824 -3.810 2.044 1.00 2.23 H new ATOM 0 HA GLU A 64 -17.411 -6.761 2.253 1.00 2.27 H new ATOM 0 HB2 GLU A 64 -17.651 -4.724 0.042 1.00 2.70 H new ATOM 0 HB3 GLU A 64 -16.637 -6.121 -0.258 1.00 2.70 H new ATOM 0 HG2 GLU A 64 -19.270 -6.734 1.027 1.00 3.18 H new ATOM 0 HG3 GLU A 64 -19.378 -6.100 -0.603 1.00 3.18 H new ATOM 901 N SER A 65 -14.838 -6.638 1.555 1.00 1.71 N ATOM 902 CA SER A 65 -13.355 -6.558 1.673 1.00 1.83 C ATOM 903 C SER A 65 -12.736 -6.547 0.273 1.00 1.49 C ATOM 904 O SER A 65 -13.228 -7.185 -0.637 1.00 1.87 O ATOM 905 CB SER A 65 -12.839 -7.772 2.447 1.00 2.37 C ATOM 906 OG SER A 65 -13.186 -7.635 3.819 1.00 2.91 O ATOM 0 H SER A 65 -15.192 -7.493 1.127 1.00 1.71 H new ATOM 0 HA SER A 65 -13.080 -5.646 2.202 1.00 1.83 H new ATOM 0 HB2 SER A 65 -13.270 -8.687 2.040 1.00 2.37 H new ATOM 0 HB3 SER A 65 -11.757 -7.854 2.340 1.00 2.37 H new ATOM 0 HG SER A 65 -12.858 -8.412 4.318 1.00 2.91 H new ATOM 912 N TYR A 66 -11.664 -5.824 0.090 1.00 1.14 N ATOM 913 CA TYR A 66 -11.024 -5.773 -1.251 1.00 1.22 C ATOM 914 C TYR A 66 -9.706 -6.548 -1.225 1.00 1.63 C ATOM 915 O TYR A 66 -9.309 -7.086 -0.210 1.00 2.01 O ATOM 916 CB TYR A 66 -10.746 -4.316 -1.617 1.00 1.29 C ATOM 917 CG TYR A 66 -12.003 -3.683 -2.162 1.00 1.20 C ATOM 918 CD1 TYR A 66 -13.085 -3.433 -1.309 1.00 1.79 C ATOM 919 CD2 TYR A 66 -12.089 -3.347 -3.518 1.00 1.47 C ATOM 920 CE1 TYR A 66 -14.253 -2.846 -1.812 1.00 1.98 C ATOM 921 CE2 TYR A 66 -13.256 -2.761 -4.022 1.00 1.86 C ATOM 922 CZ TYR A 66 -14.338 -2.510 -3.168 1.00 1.87 C ATOM 923 OH TYR A 66 -15.488 -1.932 -3.665 1.00 2.38 O ATOM 0 H TYR A 66 -11.206 -5.268 0.812 1.00 1.14 H new ATOM 0 HA TYR A 66 -11.690 -6.221 -1.989 1.00 1.22 H new ATOM 0 HB2 TYR A 66 -10.402 -3.769 -0.739 1.00 1.29 H new ATOM 0 HB3 TYR A 66 -9.949 -4.262 -2.358 1.00 1.29 H new ATOM 0 HD1 TYR A 66 -13.019 -3.693 -0.263 1.00 1.79 H new ATOM 0 HD2 TYR A 66 -11.254 -3.540 -4.176 1.00 1.47 H new ATOM 0 HE1 TYR A 66 -15.087 -2.653 -1.154 1.00 1.98 H new ATOM 0 HE2 TYR A 66 -13.322 -2.503 -5.069 1.00 1.86 H new ATOM 0 HH TYR A 66 -15.380 -1.761 -4.624 1.00 2.38 H new ATOM 933 N VAL A 67 -9.026 -6.606 -2.338 1.00 1.69 N ATOM 934 CA VAL A 67 -7.732 -7.346 -2.387 1.00 2.07 C ATOM 935 C VAL A 67 -6.815 -6.708 -3.434 1.00 2.20 C ATOM 936 O VAL A 67 -7.254 -6.290 -4.488 1.00 2.22 O ATOM 937 CB VAL A 67 -7.991 -8.806 -2.766 1.00 2.37 C ATOM 938 CG1 VAL A 67 -6.904 -9.697 -2.159 1.00 2.61 C ATOM 939 CG2 VAL A 67 -9.360 -9.236 -2.236 1.00 2.54 C ATOM 0 H VAL A 67 -9.311 -6.173 -3.216 1.00 1.69 H new ATOM 0 HA VAL A 67 -7.255 -7.301 -1.408 1.00 2.07 H new ATOM 0 HB VAL A 67 -7.974 -8.906 -3.851 1.00 2.37 H new ATOM 0 HG11 VAL A 67 -7.091 -10.736 -2.431 1.00 2.61 H new ATOM 0 HG12 VAL A 67 -5.929 -9.392 -2.540 1.00 2.61 H new ATOM 0 HG13 VAL A 67 -6.916 -9.598 -1.074 1.00 2.61 H new ATOM 0 HG21 VAL A 67 -9.544 -10.276 -2.506 1.00 2.54 H new ATOM 0 HG22 VAL A 67 -9.379 -9.134 -1.151 1.00 2.54 H new ATOM 0 HG23 VAL A 67 -10.134 -8.605 -2.673 1.00 2.54 H new ATOM 949 N LEU A 68 -5.542 -6.635 -3.153 1.00 2.36 N ATOM 950 CA LEU A 68 -4.591 -6.031 -4.129 1.00 2.59 C ATOM 951 C LEU A 68 -3.481 -7.043 -4.431 1.00 2.17 C ATOM 952 O LEU A 68 -2.766 -7.472 -3.547 1.00 2.07 O ATOM 953 CB LEU A 68 -3.989 -4.763 -3.520 1.00 3.01 C ATOM 954 CG LEU A 68 -3.467 -3.846 -4.628 1.00 3.40 C ATOM 955 CD1 LEU A 68 -4.593 -2.924 -5.099 1.00 3.46 C ATOM 956 CD2 LEU A 68 -2.312 -3.001 -4.083 1.00 3.61 C ATOM 0 H LEU A 68 -5.119 -6.969 -2.287 1.00 2.36 H new ATOM 0 HA LEU A 68 -5.109 -5.775 -5.053 1.00 2.59 H new ATOM 0 HB2 LEU A 68 -4.742 -4.241 -2.929 1.00 3.01 H new ATOM 0 HB3 LEU A 68 -3.177 -5.026 -2.842 1.00 3.01 H new ATOM 0 HG LEU A 68 -3.116 -4.449 -5.466 1.00 3.40 H new ATOM 0 HD11 LEU A 68 -4.222 -2.270 -5.888 1.00 3.46 H new ATOM 0 HD12 LEU A 68 -5.418 -3.524 -5.483 1.00 3.46 H new ATOM 0 HD13 LEU A 68 -4.943 -2.320 -4.262 1.00 3.46 H new ATOM 0 HD21 LEU A 68 -1.937 -2.346 -4.870 1.00 3.61 H new ATOM 0 HD22 LEU A 68 -2.665 -2.398 -3.247 1.00 3.61 H new ATOM 0 HD23 LEU A 68 -1.510 -3.657 -3.744 1.00 3.61 H new ATOM 968 N SER A 69 -3.335 -7.439 -5.668 1.00 1.98 N ATOM 969 CA SER A 69 -2.277 -8.434 -6.011 1.00 1.66 C ATOM 970 C SER A 69 -1.241 -7.794 -6.939 1.00 1.53 C ATOM 971 O SER A 69 -1.371 -7.833 -8.147 1.00 1.60 O ATOM 972 CB SER A 69 -2.916 -9.639 -6.698 1.00 1.82 C ATOM 973 OG SER A 69 -2.140 -10.001 -7.832 1.00 2.27 O ATOM 0 H SER A 69 -3.901 -7.118 -6.453 1.00 1.98 H new ATOM 0 HA SER A 69 -1.779 -8.761 -5.098 1.00 1.66 H new ATOM 0 HB2 SER A 69 -2.978 -10.477 -6.004 1.00 1.82 H new ATOM 0 HB3 SER A 69 -3.935 -9.400 -7.002 1.00 1.82 H new ATOM 0 HG SER A 69 -2.146 -9.266 -8.481 1.00 2.27 H new ATOM 979 N PHE A 70 -0.215 -7.206 -6.386 1.00 1.38 N ATOM 980 CA PHE A 70 0.823 -6.565 -7.243 1.00 1.30 C ATOM 981 C PHE A 70 1.973 -7.533 -7.522 1.00 1.23 C ATOM 982 O PHE A 70 2.317 -8.362 -6.703 1.00 1.40 O ATOM 983 CB PHE A 70 1.354 -5.286 -6.585 1.00 1.34 C ATOM 984 CG PHE A 70 1.241 -5.370 -5.080 1.00 1.31 C ATOM 985 CD1 PHE A 70 -0.021 -5.484 -4.483 1.00 1.96 C ATOM 986 CD2 PHE A 70 2.390 -5.308 -4.281 1.00 1.23 C ATOM 987 CE1 PHE A 70 -0.132 -5.544 -3.090 1.00 2.01 C ATOM 988 CE2 PHE A 70 2.276 -5.364 -2.887 1.00 1.35 C ATOM 989 CZ PHE A 70 1.014 -5.483 -2.294 1.00 1.48 C ATOM 0 H PHE A 70 -0.051 -7.142 -5.381 1.00 1.38 H new ATOM 0 HA PHE A 70 0.358 -6.300 -8.193 1.00 1.30 H new ATOM 0 HB2 PHE A 70 2.395 -5.131 -6.868 1.00 1.34 H new ATOM 0 HB3 PHE A 70 0.794 -4.425 -6.949 1.00 1.34 H new ATOM 0 HD1 PHE A 70 -0.908 -5.526 -5.098 1.00 1.96 H new ATOM 0 HD2 PHE A 70 3.363 -5.217 -4.740 1.00 1.23 H new ATOM 0 HE1 PHE A 70 -1.104 -5.638 -2.630 1.00 2.01 H new ATOM 0 HE2 PHE A 70 3.161 -5.315 -2.270 1.00 1.35 H new ATOM 0 HZ PHE A 70 0.926 -5.528 -1.219 1.00 1.48 H new ATOM 999 N THR A 71 2.573 -7.422 -8.677 1.00 1.13 N ATOM 1000 CA THR A 71 3.710 -8.317 -9.033 1.00 1.16 C ATOM 1001 C THR A 71 5.028 -7.595 -8.743 1.00 1.11 C ATOM 1002 O THR A 71 5.354 -6.616 -9.383 1.00 1.39 O ATOM 1003 CB THR A 71 3.645 -8.640 -10.528 1.00 1.26 C ATOM 1004 OG1 THR A 71 3.047 -7.550 -11.214 1.00 1.15 O ATOM 1005 CG2 THR A 71 2.815 -9.903 -10.757 1.00 1.80 C ATOM 0 H THR A 71 2.321 -6.743 -9.395 1.00 1.13 H new ATOM 0 HA THR A 71 3.651 -9.235 -8.449 1.00 1.16 H new ATOM 0 HB THR A 71 4.654 -8.807 -10.904 1.00 1.26 H new ATOM 0 HG1 THR A 71 3.395 -6.707 -10.855 1.00 1.15 H new ATOM 0 HG21 THR A 71 2.775 -10.124 -11.824 1.00 1.80 H new ATOM 0 HG22 THR A 71 3.273 -10.740 -10.230 1.00 1.80 H new ATOM 0 HG23 THR A 71 1.804 -9.747 -10.381 1.00 1.80 H new ATOM 1013 N ALA A 72 5.794 -8.062 -7.795 1.00 0.96 N ATOM 1014 CA ALA A 72 7.084 -7.376 -7.501 1.00 0.87 C ATOM 1015 C ALA A 72 7.839 -8.101 -6.386 1.00 0.81 C ATOM 1016 O ALA A 72 7.363 -9.063 -5.814 1.00 0.85 O ATOM 1017 CB ALA A 72 6.806 -5.936 -7.066 1.00 0.81 C ATOM 0 H ALA A 72 5.587 -8.877 -7.218 1.00 0.96 H new ATOM 0 HA ALA A 72 7.696 -7.384 -8.403 1.00 0.87 H new ATOM 0 HB1 ALA A 72 7.748 -5.433 -6.850 1.00 0.81 H new ATOM 0 HB2 ALA A 72 6.287 -5.408 -7.866 1.00 0.81 H new ATOM 0 HB3 ALA A 72 6.184 -5.940 -6.171 1.00 0.81 H new ATOM 1023 N SER A 73 9.018 -7.635 -6.075 1.00 0.75 N ATOM 1024 CA SER A 73 9.826 -8.274 -4.998 1.00 0.72 C ATOM 1025 C SER A 73 10.816 -7.248 -4.439 1.00 0.64 C ATOM 1026 O SER A 73 11.201 -6.314 -5.114 1.00 0.84 O ATOM 1027 CB SER A 73 10.596 -9.464 -5.575 1.00 0.82 C ATOM 1028 OG SER A 73 10.914 -9.202 -6.935 1.00 0.93 O ATOM 0 H SER A 73 9.459 -6.833 -6.525 1.00 0.75 H new ATOM 0 HA SER A 73 9.168 -8.622 -4.202 1.00 0.72 H new ATOM 0 HB2 SER A 73 11.508 -9.634 -5.003 1.00 0.82 H new ATOM 0 HB3 SER A 73 9.997 -10.371 -5.498 1.00 0.82 H new ATOM 0 HG SER A 73 11.409 -9.962 -7.307 1.00 0.93 H new ATOM 1034 N ALA A 74 11.229 -7.410 -3.211 1.00 0.66 N ATOM 1035 CA ALA A 74 12.189 -6.440 -2.613 1.00 0.59 C ATOM 1036 C ALA A 74 13.619 -6.954 -2.795 1.00 0.61 C ATOM 1037 O ALA A 74 13.909 -8.109 -2.560 1.00 0.67 O ATOM 1038 CB ALA A 74 11.891 -6.281 -1.121 1.00 0.59 C ATOM 0 H ALA A 74 10.943 -8.172 -2.597 1.00 0.66 H new ATOM 0 HA ALA A 74 12.085 -5.476 -3.110 1.00 0.59 H new ATOM 0 HB1 ALA A 74 12.593 -5.571 -0.683 1.00 0.59 H new ATOM 0 HB2 ALA A 74 10.874 -5.912 -0.990 1.00 0.59 H new ATOM 0 HB3 ALA A 74 11.994 -7.246 -0.625 1.00 0.59 H new ATOM 1044 N THR A 75 14.515 -6.102 -3.216 1.00 0.62 N ATOM 1045 CA THR A 75 15.922 -6.532 -3.418 1.00 0.72 C ATOM 1046 C THR A 75 16.870 -5.511 -2.770 1.00 0.72 C ATOM 1047 O THR A 75 16.922 -4.373 -3.191 1.00 0.74 O ATOM 1048 CB THR A 75 16.201 -6.590 -4.920 1.00 0.85 C ATOM 1049 OG1 THR A 75 15.376 -5.643 -5.585 1.00 0.86 O ATOM 1050 CG2 THR A 75 15.896 -7.992 -5.449 1.00 0.97 C ATOM 0 H THR A 75 14.328 -5.122 -3.429 1.00 0.62 H new ATOM 0 HA THR A 75 16.080 -7.510 -2.964 1.00 0.72 H new ATOM 0 HB THR A 75 17.250 -6.358 -5.104 1.00 0.85 H new ATOM 0 HG1 THR A 75 15.552 -5.675 -6.548 1.00 0.86 H new ATOM 0 HG21 THR A 75 16.096 -8.028 -6.520 1.00 0.97 H new ATOM 0 HG22 THR A 75 16.526 -8.719 -4.937 1.00 0.97 H new ATOM 0 HG23 THR A 75 14.848 -8.229 -5.268 1.00 0.97 H new ATOM 1058 N PRO A 76 17.623 -5.895 -1.765 1.00 0.77 N ATOM 1059 CA PRO A 76 17.622 -7.275 -1.186 1.00 0.83 C ATOM 1060 C PRO A 76 16.293 -7.629 -0.514 1.00 0.73 C ATOM 1061 O PRO A 76 15.230 -7.273 -0.980 1.00 0.68 O ATOM 1062 CB PRO A 76 18.743 -7.243 -0.137 1.00 0.97 C ATOM 1063 CG PRO A 76 19.542 -6.016 -0.423 1.00 1.02 C ATOM 1064 CD PRO A 76 18.581 -5.026 -1.070 1.00 0.85 C ATOM 0 HA PRO A 76 17.767 -8.026 -1.962 1.00 0.83 H new ATOM 0 HB2 PRO A 76 18.332 -7.214 0.872 1.00 0.97 H new ATOM 0 HB3 PRO A 76 19.364 -8.137 -0.203 1.00 0.97 H new ATOM 0 HG2 PRO A 76 19.966 -5.605 0.493 1.00 1.02 H new ATOM 0 HG3 PRO A 76 20.376 -6.240 -1.088 1.00 1.02 H new ATOM 0 HD2 PRO A 76 18.090 -4.398 -0.327 1.00 0.85 H new ATOM 0 HD3 PRO A 76 19.095 -4.359 -1.762 1.00 0.85 H new ATOM 1072 N ASP A 77 16.351 -8.330 0.583 1.00 0.81 N ATOM 1073 CA ASP A 77 15.099 -8.714 1.294 1.00 0.76 C ATOM 1074 C ASP A 77 14.747 -7.649 2.335 1.00 0.72 C ATOM 1075 O ASP A 77 15.609 -6.972 2.859 1.00 0.78 O ATOM 1076 CB ASP A 77 15.306 -10.058 1.996 1.00 0.91 C ATOM 1077 CG ASP A 77 16.288 -10.911 1.189 1.00 1.09 C ATOM 1078 OD1 ASP A 77 17.372 -10.427 0.911 1.00 1.75 O ATOM 1079 OD2 ASP A 77 15.936 -12.032 0.863 1.00 1.30 O ATOM 0 H ASP A 77 17.214 -8.655 1.020 1.00 0.81 H new ATOM 0 HA ASP A 77 14.286 -8.796 0.572 1.00 0.76 H new ATOM 0 HB2 ASP A 77 15.690 -9.898 3.004 1.00 0.91 H new ATOM 0 HB3 ASP A 77 14.353 -10.578 2.096 1.00 0.91 H new ATOM 1084 N MET A 78 13.485 -7.500 2.639 1.00 0.75 N ATOM 1085 CA MET A 78 13.070 -6.483 3.648 1.00 0.87 C ATOM 1086 C MET A 78 11.577 -6.181 3.480 1.00 0.89 C ATOM 1087 O MET A 78 11.011 -6.390 2.424 1.00 0.93 O ATOM 1088 CB MET A 78 13.871 -5.196 3.443 1.00 1.01 C ATOM 1089 CG MET A 78 14.938 -5.070 4.535 1.00 1.19 C ATOM 1090 SD MET A 78 16.341 -4.120 3.900 1.00 1.83 S ATOM 1091 CE MET A 78 15.862 -2.519 4.591 1.00 2.16 C ATOM 0 H MET A 78 12.722 -8.040 2.231 1.00 0.75 H new ATOM 0 HA MET A 78 13.258 -6.871 4.649 1.00 0.87 H new ATOM 0 HB2 MET A 78 14.342 -5.203 2.460 1.00 1.01 H new ATOM 0 HB3 MET A 78 13.205 -4.334 3.471 1.00 1.01 H new ATOM 0 HG2 MET A 78 14.519 -4.578 5.413 1.00 1.19 H new ATOM 0 HG3 MET A 78 15.268 -6.059 4.852 1.00 1.19 H new ATOM 0 HE1 MET A 78 16.329 -1.720 4.016 1.00 2.16 H new ATOM 0 HE2 MET A 78 14.778 -2.413 4.546 1.00 2.16 H new ATOM 0 HE3 MET A 78 16.189 -2.458 5.629 1.00 2.16 H new ATOM 1101 N PRO A 79 10.949 -5.691 4.514 1.00 0.96 N ATOM 1102 CA PRO A 79 9.498 -5.347 4.489 1.00 1.04 C ATOM 1103 C PRO A 79 9.229 -4.023 3.770 1.00 1.13 C ATOM 1104 O PRO A 79 10.030 -3.110 3.809 1.00 1.28 O ATOM 1105 CB PRO A 79 9.134 -5.233 5.969 1.00 1.12 C ATOM 1106 CG PRO A 79 10.399 -4.832 6.653 1.00 1.38 C ATOM 1107 CD PRO A 79 11.552 -5.412 5.828 1.00 1.11 C ATOM 0 HA PRO A 79 8.912 -6.090 3.949 1.00 1.04 H new ATOM 0 HB2 PRO A 79 8.350 -4.492 6.126 1.00 1.12 H new ATOM 0 HB3 PRO A 79 8.760 -6.181 6.357 1.00 1.12 H new ATOM 0 HG2 PRO A 79 10.477 -3.747 6.716 1.00 1.38 H new ATOM 0 HG3 PRO A 79 10.424 -5.213 7.674 1.00 1.38 H new ATOM 0 HD2 PRO A 79 12.378 -4.705 5.746 1.00 1.11 H new ATOM 0 HD3 PRO A 79 11.952 -6.318 6.284 1.00 1.11 H new ATOM 1115 N VAL A 80 8.105 -3.910 3.115 1.00 1.13 N ATOM 1116 CA VAL A 80 7.787 -2.643 2.397 1.00 1.31 C ATOM 1117 C VAL A 80 6.584 -1.970 3.061 1.00 1.45 C ATOM 1118 O VAL A 80 5.932 -2.541 3.912 1.00 1.98 O ATOM 1119 CB VAL A 80 7.456 -2.951 0.935 1.00 1.56 C ATOM 1120 CG1 VAL A 80 8.528 -3.875 0.353 1.00 2.01 C ATOM 1121 CG2 VAL A 80 6.094 -3.642 0.853 1.00 1.79 C ATOM 0 H VAL A 80 7.395 -4.639 3.046 1.00 1.13 H new ATOM 0 HA VAL A 80 8.648 -1.976 2.440 1.00 1.31 H new ATOM 0 HB VAL A 80 7.427 -2.021 0.367 1.00 1.56 H new ATOM 0 HG11 VAL A 80 8.293 -4.095 -0.688 1.00 2.01 H new ATOM 0 HG12 VAL A 80 9.500 -3.385 0.410 1.00 2.01 H new ATOM 0 HG13 VAL A 80 8.556 -4.804 0.922 1.00 2.01 H new ATOM 0 HG21 VAL A 80 5.859 -3.861 -0.189 1.00 1.79 H new ATOM 0 HG22 VAL A 80 6.123 -4.572 1.422 1.00 1.79 H new ATOM 0 HG23 VAL A 80 5.328 -2.987 1.268 1.00 1.79 H new ATOM 1131 N ARG A 81 6.285 -0.758 2.677 1.00 1.48 N ATOM 1132 CA ARG A 81 5.124 -0.049 3.285 1.00 1.84 C ATOM 1133 C ARG A 81 4.007 0.079 2.246 1.00 2.04 C ATOM 1134 O ARG A 81 4.257 0.136 1.058 1.00 2.57 O ATOM 1135 CB ARG A 81 5.559 1.345 3.742 1.00 2.24 C ATOM 1136 CG ARG A 81 5.780 1.343 5.256 1.00 2.95 C ATOM 1137 CD ARG A 81 5.915 2.783 5.754 1.00 4.04 C ATOM 1138 NE ARG A 81 4.684 3.168 6.498 1.00 4.81 N ATOM 1139 CZ ARG A 81 4.685 4.230 7.256 1.00 5.14 C ATOM 1140 NH1 ARG A 81 5.763 4.958 7.360 1.00 4.94 N ATOM 1141 NH2 ARG A 81 3.606 4.565 7.910 1.00 6.01 N ATOM 0 H ARG A 81 6.795 -0.229 1.969 1.00 1.48 H new ATOM 0 HA ARG A 81 4.760 -0.614 4.143 1.00 1.84 H new ATOM 0 HB2 ARG A 81 6.476 1.637 3.231 1.00 2.24 H new ATOM 0 HB3 ARG A 81 4.799 2.080 3.476 1.00 2.24 H new ATOM 0 HG2 ARG A 81 4.945 0.851 5.755 1.00 2.95 H new ATOM 0 HG3 ARG A 81 6.678 0.776 5.502 1.00 2.95 H new ATOM 0 HD2 ARG A 81 6.788 2.875 6.401 1.00 4.04 H new ATOM 0 HD3 ARG A 81 6.070 3.457 4.912 1.00 4.04 H new ATOM 0 HE ARG A 81 3.840 2.601 6.415 1.00 4.81 H new ATOM 0 HH11 ARG A 81 6.606 4.697 6.848 1.00 4.94 H new ATOM 0 HH12 ARG A 81 5.763 5.788 7.953 1.00 4.94 H new ATOM 0 HH21 ARG A 81 2.763 3.997 7.828 1.00 6.01 H new ATOM 0 HH22 ARG A 81 3.606 5.395 8.503 1.00 6.01 H new ATOM 1155 N VAL A 82 2.779 0.123 2.682 1.00 2.00 N ATOM 1156 CA VAL A 82 1.650 0.244 1.718 1.00 2.41 C ATOM 1157 C VAL A 82 0.467 0.937 2.398 1.00 1.99 C ATOM 1158 O VAL A 82 0.265 0.814 3.590 1.00 1.85 O ATOM 1159 CB VAL A 82 1.225 -1.150 1.253 1.00 3.05 C ATOM 1160 CG1 VAL A 82 0.225 -1.025 0.103 1.00 3.76 C ATOM 1161 CG2 VAL A 82 2.455 -1.924 0.774 1.00 3.57 C ATOM 0 H VAL A 82 2.508 0.080 3.665 1.00 2.00 H new ATOM 0 HA VAL A 82 1.970 0.833 0.858 1.00 2.41 H new ATOM 0 HB VAL A 82 0.759 -1.681 2.083 1.00 3.05 H new ATOM 0 HG11 VAL A 82 -0.076 -2.019 -0.227 1.00 3.76 H new ATOM 0 HG12 VAL A 82 -0.652 -0.474 0.442 1.00 3.76 H new ATOM 0 HG13 VAL A 82 0.690 -0.493 -0.727 1.00 3.76 H new ATOM 0 HG21 VAL A 82 2.153 -2.918 0.442 1.00 3.57 H new ATOM 0 HG22 VAL A 82 2.920 -1.391 -0.055 1.00 3.57 H new ATOM 0 HG23 VAL A 82 3.169 -2.016 1.593 1.00 3.57 H new ATOM 1171 N LEU A 83 -0.316 1.665 1.649 1.00 2.02 N ATOM 1172 CA LEU A 83 -1.485 2.363 2.255 1.00 1.82 C ATOM 1173 C LEU A 83 -2.589 2.512 1.207 1.00 1.64 C ATOM 1174 O LEU A 83 -2.324 2.694 0.035 1.00 1.78 O ATOM 1175 CB LEU A 83 -1.055 3.748 2.742 1.00 2.29 C ATOM 1176 CG LEU A 83 -0.625 4.602 1.547 1.00 1.71 C ATOM 1177 CD1 LEU A 83 -1.639 5.728 1.331 1.00 1.99 C ATOM 1178 CD2 LEU A 83 0.754 5.206 1.819 1.00 1.42 C ATOM 0 H LEU A 83 -0.197 1.806 0.646 1.00 2.02 H new ATOM 0 HA LEU A 83 -1.859 1.781 3.097 1.00 1.82 H new ATOM 0 HB2 LEU A 83 -1.878 4.231 3.269 1.00 2.29 H new ATOM 0 HB3 LEU A 83 -0.232 3.656 3.451 1.00 2.29 H new ATOM 0 HG LEU A 83 -0.579 3.977 0.655 1.00 1.71 H new ATOM 0 HD11 LEU A 83 -1.332 6.336 0.480 1.00 1.99 H new ATOM 0 HD12 LEU A 83 -2.622 5.300 1.135 1.00 1.99 H new ATOM 0 HD13 LEU A 83 -1.686 6.352 2.224 1.00 1.99 H new ATOM 0 HD21 LEU A 83 1.059 5.814 0.967 1.00 1.42 H new ATOM 0 HD22 LEU A 83 0.709 5.829 2.712 1.00 1.42 H new ATOM 0 HD23 LEU A 83 1.478 4.406 1.972 1.00 1.42 H new ATOM 1190 N VAL A 84 -3.826 2.441 1.617 1.00 1.54 N ATOM 1191 CA VAL A 84 -4.943 2.583 0.638 1.00 1.53 C ATOM 1192 C VAL A 84 -6.131 3.277 1.307 1.00 1.46 C ATOM 1193 O VAL A 84 -6.324 3.186 2.503 1.00 1.51 O ATOM 1194 CB VAL A 84 -5.380 1.200 0.146 1.00 1.58 C ATOM 1195 CG1 VAL A 84 -5.940 1.318 -1.273 1.00 1.89 C ATOM 1196 CG2 VAL A 84 -4.178 0.252 0.139 1.00 1.84 C ATOM 0 H VAL A 84 -4.112 2.291 2.585 1.00 1.54 H new ATOM 0 HA VAL A 84 -4.600 3.179 -0.208 1.00 1.53 H new ATOM 0 HB VAL A 84 -6.148 0.807 0.812 1.00 1.58 H new ATOM 0 HG11 VAL A 84 -6.251 0.334 -1.624 1.00 1.89 H new ATOM 0 HG12 VAL A 84 -6.798 1.991 -1.271 1.00 1.89 H new ATOM 0 HG13 VAL A 84 -5.170 1.713 -1.936 1.00 1.89 H new ATOM 0 HG21 VAL A 84 -4.492 -0.731 -0.211 1.00 1.84 H new ATOM 0 HG22 VAL A 84 -3.408 0.645 -0.525 1.00 1.84 H new ATOM 0 HG23 VAL A 84 -3.777 0.166 1.149 1.00 1.84 H new ATOM 1206 N GLY A 85 -6.932 3.970 0.542 1.00 1.45 N ATOM 1207 CA GLY A 85 -8.109 4.668 1.132 1.00 1.49 C ATOM 1208 C GLY A 85 -8.632 5.711 0.142 1.00 1.17 C ATOM 1209 O GLY A 85 -8.543 5.541 -1.058 1.00 1.15 O ATOM 0 H GLY A 85 -6.821 4.082 -0.466 1.00 1.45 H new ATOM 0 HA2 GLY A 85 -8.893 3.948 1.366 1.00 1.49 H new ATOM 0 HA3 GLY A 85 -7.828 5.149 2.069 1.00 1.49 H new ATOM 1213 N GLU A 86 -9.177 6.789 0.636 1.00 1.14 N ATOM 1214 CA GLU A 86 -9.705 7.843 -0.277 1.00 1.19 C ATOM 1215 C GLU A 86 -8.596 8.853 -0.580 1.00 1.21 C ATOM 1216 O GLU A 86 -7.490 8.741 -0.090 1.00 1.63 O ATOM 1217 CB GLU A 86 -10.879 8.559 0.394 1.00 1.44 C ATOM 1218 CG GLU A 86 -10.495 8.940 1.825 1.00 1.42 C ATOM 1219 CD GLU A 86 -10.757 7.754 2.757 1.00 1.91 C ATOM 1220 OE1 GLU A 86 -10.756 6.634 2.273 1.00 2.54 O ATOM 1221 OE2 GLU A 86 -10.954 7.987 3.938 1.00 2.03 O ATOM 0 H GLU A 86 -9.280 6.986 1.632 1.00 1.14 H new ATOM 0 HA GLU A 86 -10.044 7.384 -1.206 1.00 1.19 H new ATOM 0 HB2 GLU A 86 -11.146 9.452 -0.172 1.00 1.44 H new ATOM 0 HB3 GLU A 86 -11.756 7.912 0.402 1.00 1.44 H new ATOM 0 HG2 GLU A 86 -9.444 9.224 1.867 1.00 1.42 H new ATOM 0 HG3 GLU A 86 -11.072 9.806 2.150 1.00 1.42 H new ATOM 1228 N GLY A 87 -8.884 9.840 -1.385 1.00 1.18 N ATOM 1229 CA GLY A 87 -7.845 10.855 -1.717 1.00 1.38 C ATOM 1230 C GLY A 87 -8.504 12.226 -1.890 1.00 1.20 C ATOM 1231 O GLY A 87 -8.271 12.919 -2.859 1.00 1.26 O ATOM 0 H GLY A 87 -9.792 9.987 -1.826 1.00 1.18 H new ATOM 0 HA2 GLY A 87 -7.097 10.897 -0.925 1.00 1.38 H new ATOM 0 HA3 GLY A 87 -7.325 10.572 -2.632 1.00 1.38 H new ATOM 1280 N ARG A 92 -8.615 10.117 6.125 1.00 2.28 N ATOM 1281 CA ARG A 92 -8.523 8.956 7.054 1.00 2.12 C ATOM 1282 C ARG A 92 -8.626 7.655 6.256 1.00 1.84 C ATOM 1283 O ARG A 92 -9.654 7.343 5.688 1.00 2.05 O ATOM 1284 CB ARG A 92 -9.667 9.022 8.068 1.00 2.02 C ATOM 1285 CG ARG A 92 -9.659 10.386 8.759 1.00 2.72 C ATOM 1286 CD ARG A 92 -10.858 10.484 9.706 1.00 3.19 C ATOM 1287 NE ARG A 92 -11.586 11.766 9.470 1.00 4.00 N ATOM 1288 CZ ARG A 92 -10.931 12.884 9.300 1.00 4.78 C ATOM 1289 NH1 ARG A 92 -9.631 12.911 9.410 1.00 4.91 N ATOM 1290 NH2 ARG A 92 -11.583 13.985 9.040 1.00 5.74 N ATOM 0 HA ARG A 92 -7.568 8.987 7.579 1.00 2.12 H new ATOM 0 HB2 ARG A 92 -10.621 8.862 7.566 1.00 2.02 H new ATOM 0 HB3 ARG A 92 -9.559 8.228 8.807 1.00 2.02 H new ATOM 0 HG2 ARG A 92 -8.731 10.519 9.315 1.00 2.72 H new ATOM 0 HG3 ARG A 92 -9.702 11.182 8.016 1.00 2.72 H new ATOM 0 HD2 ARG A 92 -11.529 9.640 9.547 1.00 3.19 H new ATOM 0 HD3 ARG A 92 -10.521 10.432 10.741 1.00 3.19 H new ATOM 0 HE ARG A 92 -12.606 11.769 9.441 1.00 4.00 H new ATOM 0 HH11 ARG A 92 -9.120 12.056 9.630 1.00 4.91 H new ATOM 0 HH12 ARG A 92 -9.126 13.787 9.276 1.00 4.91 H new ATOM 0 HH21 ARG A 92 -12.601 13.971 8.970 1.00 5.74 H new ATOM 0 HH22 ARG A 92 -11.075 14.859 8.907 1.00 5.74 H new ATOM 1304 N THR A 93 -7.567 6.893 6.207 1.00 1.67 N ATOM 1305 CA THR A 93 -7.606 5.613 5.445 1.00 1.74 C ATOM 1306 C THR A 93 -7.708 4.434 6.411 1.00 1.95 C ATOM 1307 O THR A 93 -7.405 4.544 7.582 1.00 2.27 O ATOM 1308 CB THR A 93 -6.328 5.468 4.617 1.00 1.70 C ATOM 1309 OG1 THR A 93 -6.004 4.090 4.497 1.00 2.15 O ATOM 1310 CG2 THR A 93 -5.180 6.201 5.311 1.00 1.74 C ATOM 0 H THR A 93 -6.678 7.101 6.661 1.00 1.67 H new ATOM 0 HA THR A 93 -8.475 5.621 4.787 1.00 1.74 H new ATOM 0 HB THR A 93 -6.484 5.898 3.628 1.00 1.70 H new ATOM 0 HG1 THR A 93 -6.371 3.740 3.658 1.00 2.15 H new ATOM 0 HG21 THR A 93 -4.271 6.096 4.719 1.00 1.74 H new ATOM 0 HG22 THR A 93 -5.429 7.258 5.409 1.00 1.74 H new ATOM 0 HG23 THR A 93 -5.020 5.773 6.300 1.00 1.74 H new ATOM 1318 N ALA A 94 -8.121 3.300 5.918 1.00 2.15 N ATOM 1319 CA ALA A 94 -8.233 2.101 6.791 1.00 2.71 C ATOM 1320 C ALA A 94 -7.183 1.079 6.357 1.00 2.70 C ATOM 1321 O ALA A 94 -6.835 0.177 7.092 1.00 3.18 O ATOM 1322 CB ALA A 94 -9.631 1.493 6.652 1.00 3.28 C ATOM 0 H ALA A 94 -8.387 3.153 4.944 1.00 2.15 H new ATOM 0 HA ALA A 94 -8.070 2.382 7.831 1.00 2.71 H new ATOM 0 HB1 ALA A 94 -9.711 0.615 7.292 1.00 3.28 H new ATOM 0 HB2 ALA A 94 -10.379 2.228 6.949 1.00 3.28 H new ATOM 0 HB3 ALA A 94 -9.800 1.203 5.615 1.00 3.28 H new ATOM 1328 N PHE A 95 -6.673 1.217 5.162 1.00 2.24 N ATOM 1329 CA PHE A 95 -5.642 0.257 4.676 1.00 2.32 C ATOM 1330 C PHE A 95 -4.252 0.784 5.035 1.00 1.89 C ATOM 1331 O PHE A 95 -3.307 0.621 4.290 1.00 2.04 O ATOM 1332 CB PHE A 95 -5.748 0.123 3.158 1.00 2.74 C ATOM 1333 CG PHE A 95 -5.317 -1.262 2.730 1.00 2.97 C ATOM 1334 CD1 PHE A 95 -4.353 -1.961 3.469 1.00 3.34 C ATOM 1335 CD2 PHE A 95 -5.882 -1.846 1.590 1.00 3.27 C ATOM 1336 CE1 PHE A 95 -3.955 -3.241 3.066 1.00 3.65 C ATOM 1337 CE2 PHE A 95 -5.483 -3.126 1.187 1.00 3.55 C ATOM 1338 CZ PHE A 95 -4.521 -3.823 1.925 1.00 3.60 C ATOM 0 H PHE A 95 -6.926 1.953 4.503 1.00 2.24 H new ATOM 0 HA PHE A 95 -5.801 -0.715 5.143 1.00 2.32 H new ATOM 0 HB2 PHE A 95 -6.774 0.309 2.839 1.00 2.74 H new ATOM 0 HB3 PHE A 95 -5.123 0.873 2.674 1.00 2.74 H new ATOM 0 HD1 PHE A 95 -3.917 -1.512 4.349 1.00 3.34 H new ATOM 0 HD2 PHE A 95 -6.626 -1.309 1.021 1.00 3.27 H new ATOM 0 HE1 PHE A 95 -3.212 -3.780 3.635 1.00 3.65 H new ATOM 0 HE2 PHE A 95 -5.918 -3.575 0.306 1.00 3.55 H new ATOM 0 HZ PHE A 95 -4.214 -4.811 1.615 1.00 3.60 H new ATOM 1348 N GLU A 96 -4.117 1.417 6.167 1.00 1.92 N ATOM 1349 CA GLU A 96 -2.784 1.952 6.557 1.00 2.11 C ATOM 1350 C GLU A 96 -1.902 0.805 7.055 1.00 1.99 C ATOM 1351 O GLU A 96 -1.418 0.820 8.169 1.00 2.04 O ATOM 1352 CB GLU A 96 -2.953 2.989 7.669 1.00 2.46 C ATOM 1353 CG GLU A 96 -4.082 2.553 8.606 1.00 3.05 C ATOM 1354 CD GLU A 96 -3.802 3.070 10.018 1.00 3.87 C ATOM 1355 OE1 GLU A 96 -2.960 2.491 10.683 1.00 4.60 O ATOM 1356 OE2 GLU A 96 -4.435 4.037 10.410 1.00 4.04 O ATOM 0 H GLU A 96 -4.868 1.586 6.836 1.00 1.92 H new ATOM 0 HA GLU A 96 -2.314 2.423 5.693 1.00 2.11 H new ATOM 0 HB2 GLU A 96 -2.023 3.094 8.227 1.00 2.46 H new ATOM 0 HB3 GLU A 96 -3.179 3.965 7.239 1.00 2.46 H new ATOM 0 HG2 GLU A 96 -5.036 2.940 8.248 1.00 3.05 H new ATOM 0 HG3 GLU A 96 -4.162 1.466 8.615 1.00 3.05 H new ATOM 1363 N GLN A 97 -1.689 -0.190 6.237 1.00 2.12 N ATOM 1364 CA GLN A 97 -0.840 -1.339 6.660 1.00 2.35 C ATOM 1365 C GLN A 97 0.562 -1.164 6.067 1.00 2.76 C ATOM 1366 O GLN A 97 0.720 -0.929 4.886 1.00 3.44 O ATOM 1367 CB GLN A 97 -1.484 -2.638 6.159 1.00 2.59 C ATOM 1368 CG GLN A 97 -0.417 -3.598 5.624 1.00 2.67 C ATOM 1369 CD GLN A 97 0.608 -3.889 6.721 1.00 2.83 C ATOM 1370 OE1 GLN A 97 0.682 -3.179 7.704 1.00 2.75 O ATOM 1371 NE2 GLN A 97 1.404 -4.914 6.595 1.00 3.46 N ATOM 0 H GLN A 97 -2.067 -0.256 5.292 1.00 2.12 H new ATOM 0 HA GLN A 97 -0.759 -1.381 7.746 1.00 2.35 H new ATOM 0 HB2 GLN A 97 -2.035 -3.114 6.971 1.00 2.59 H new ATOM 0 HB3 GLN A 97 -2.205 -2.413 5.373 1.00 2.59 H new ATOM 0 HG2 GLN A 97 -0.882 -4.526 5.292 1.00 2.67 H new ATOM 0 HG3 GLN A 97 0.078 -3.161 4.757 1.00 2.67 H new ATOM 0 HE21 GLN A 97 1.341 -5.510 5.769 1.00 3.46 H new ATOM 0 HE22 GLN A 97 2.089 -5.120 7.322 1.00 3.46 H new ATOM 1380 N GLY A 98 1.581 -1.270 6.877 1.00 2.66 N ATOM 1381 CA GLY A 98 2.965 -1.100 6.351 1.00 3.12 C ATOM 1382 C GLY A 98 3.773 -2.381 6.570 1.00 2.94 C ATOM 1383 O GLY A 98 4.868 -2.528 6.063 1.00 3.67 O ATOM 0 H GLY A 98 1.515 -1.466 7.876 1.00 2.66 H new ATOM 0 HA2 GLY A 98 2.931 -0.859 5.288 1.00 3.12 H new ATOM 0 HA3 GLY A 98 3.452 -0.264 6.852 1.00 3.12 H new ATOM 1387 N SER A 99 3.248 -3.311 7.322 1.00 2.31 N ATOM 1388 CA SER A 99 3.996 -4.576 7.567 1.00 2.54 C ATOM 1389 C SER A 99 3.824 -5.513 6.369 1.00 2.05 C ATOM 1390 O SER A 99 3.062 -6.458 6.413 1.00 1.87 O ATOM 1391 CB SER A 99 3.453 -5.252 8.826 1.00 3.04 C ATOM 1392 OG SER A 99 4.179 -4.791 9.957 1.00 3.79 O ATOM 0 H SER A 99 2.336 -3.249 7.776 1.00 2.31 H new ATOM 0 HA SER A 99 5.054 -4.352 7.702 1.00 2.54 H new ATOM 0 HB2 SER A 99 2.393 -5.028 8.944 1.00 3.04 H new ATOM 0 HB3 SER A 99 3.543 -6.335 8.739 1.00 3.04 H new ATOM 0 HG SER A 99 3.832 -5.221 10.766 1.00 3.79 H new ATOM 1398 N ALA A 100 4.525 -5.257 5.297 1.00 1.96 N ATOM 1399 CA ALA A 100 4.396 -6.134 4.099 1.00 1.63 C ATOM 1400 C ALA A 100 5.743 -6.794 3.799 1.00 1.41 C ATOM 1401 O ALA A 100 6.519 -6.309 2.999 1.00 1.39 O ATOM 1402 CB ALA A 100 3.958 -5.292 2.900 1.00 1.76 C ATOM 0 H ALA A 100 5.179 -4.481 5.200 1.00 1.96 H new ATOM 0 HA ALA A 100 3.652 -6.907 4.292 1.00 1.63 H new ATOM 0 HB1 ALA A 100 3.863 -5.931 2.022 1.00 1.76 H new ATOM 0 HB2 ALA A 100 2.997 -4.825 3.115 1.00 1.76 H new ATOM 0 HB3 ALA A 100 4.702 -4.519 2.707 1.00 1.76 H new ATOM 1408 N PRO A 101 6.013 -7.896 4.443 1.00 1.67 N ATOM 1409 CA PRO A 101 7.285 -8.655 4.257 1.00 1.70 C ATOM 1410 C PRO A 101 7.532 -9.036 2.794 1.00 1.06 C ATOM 1411 O PRO A 101 6.691 -9.630 2.148 1.00 1.45 O ATOM 1412 CB PRO A 101 7.098 -9.915 5.108 1.00 2.69 C ATOM 1413 CG PRO A 101 6.021 -9.587 6.088 1.00 2.97 C ATOM 1414 CD PRO A 101 5.129 -8.541 5.424 1.00 2.35 C ATOM 0 HA PRO A 101 8.148 -8.057 4.549 1.00 1.70 H new ATOM 0 HB2 PRO A 101 6.817 -10.767 4.489 1.00 2.69 H new ATOM 0 HB3 PRO A 101 8.023 -10.183 5.619 1.00 2.69 H new ATOM 0 HG2 PRO A 101 5.448 -10.477 6.346 1.00 2.97 H new ATOM 0 HG3 PRO A 101 6.445 -9.202 7.015 1.00 2.97 H new ATOM 0 HD2 PRO A 101 4.265 -9.000 4.943 1.00 2.35 H new ATOM 0 HD3 PRO A 101 4.746 -7.823 6.150 1.00 2.35 H new ATOM 1422 N LEU A 102 8.682 -8.709 2.270 1.00 0.99 N ATOM 1423 CA LEU A 102 8.985 -9.061 0.854 1.00 1.10 C ATOM 1424 C LEU A 102 10.455 -9.465 0.735 1.00 0.93 C ATOM 1425 O LEU A 102 11.341 -8.750 1.159 1.00 1.33 O ATOM 1426 CB LEU A 102 8.709 -7.857 -0.049 1.00 2.00 C ATOM 1427 CG LEU A 102 7.264 -7.910 -0.549 1.00 2.39 C ATOM 1428 CD1 LEU A 102 6.809 -6.507 -0.956 1.00 3.06 C ATOM 1429 CD2 LEU A 102 7.182 -8.844 -1.759 1.00 2.31 C ATOM 0 H LEU A 102 9.425 -8.213 2.762 1.00 0.99 H new ATOM 0 HA LEU A 102 8.352 -9.893 0.545 1.00 1.10 H new ATOM 0 HB2 LEU A 102 8.881 -6.931 0.500 1.00 2.00 H new ATOM 0 HB3 LEU A 102 9.397 -7.858 -0.894 1.00 2.00 H new ATOM 0 HG LEU A 102 6.617 -8.282 0.246 1.00 2.39 H new ATOM 0 HD11 LEU A 102 5.779 -6.547 -1.312 1.00 3.06 H new ATOM 0 HD12 LEU A 102 6.870 -5.841 -0.095 1.00 3.06 H new ATOM 0 HD13 LEU A 102 7.453 -6.132 -1.751 1.00 3.06 H new ATOM 0 HD21 LEU A 102 6.154 -8.885 -2.118 1.00 2.31 H new ATOM 0 HD22 LEU A 102 7.829 -8.470 -2.552 1.00 2.31 H new ATOM 0 HD23 LEU A 102 7.505 -9.844 -1.469 1.00 2.31 H new ATOM 1441 N THR A 103 10.722 -10.609 0.165 1.00 1.21 N ATOM 1442 CA THR A 103 12.136 -11.057 0.024 1.00 1.09 C ATOM 1443 C THR A 103 12.536 -11.048 -1.453 1.00 1.38 C ATOM 1444 O THR A 103 11.859 -10.480 -2.287 1.00 1.81 O ATOM 1445 CB THR A 103 12.282 -12.474 0.582 1.00 1.79 C ATOM 1446 OG1 THR A 103 13.645 -12.866 0.524 1.00 2.04 O ATOM 1447 CG2 THR A 103 11.435 -13.441 -0.247 1.00 2.34 C ATOM 0 H THR A 103 10.023 -11.251 -0.208 1.00 1.21 H new ATOM 0 HA THR A 103 12.785 -10.378 0.578 1.00 1.09 H new ATOM 0 HB THR A 103 11.942 -12.494 1.617 1.00 1.79 H new ATOM 0 HG1 THR A 103 14.216 -12.094 0.721 1.00 2.04 H new ATOM 0 HG21 THR A 103 11.540 -14.450 0.152 1.00 2.34 H new ATOM 0 HG22 THR A 103 10.389 -13.140 -0.201 1.00 2.34 H new ATOM 0 HG23 THR A 103 11.772 -13.423 -1.283 1.00 2.34 H new ATOM 1455 N GLY A 104 13.632 -11.676 -1.781 1.00 1.62 N ATOM 1456 CA GLY A 104 14.079 -11.706 -3.202 1.00 2.17 C ATOM 1457 C GLY A 104 13.363 -12.840 -3.939 1.00 1.60 C ATOM 1458 O GLY A 104 13.900 -13.439 -4.848 1.00 1.83 O ATOM 0 H GLY A 104 14.238 -12.170 -1.125 1.00 1.62 H new ATOM 0 HA2 GLY A 104 13.862 -10.752 -3.683 1.00 2.17 H new ATOM 0 HA3 GLY A 104 15.158 -11.850 -3.252 1.00 2.17 H new ATOM 1462 N GLU A 105 12.152 -13.138 -3.553 1.00 1.22 N ATOM 1463 CA GLU A 105 11.401 -14.231 -4.232 1.00 1.09 C ATOM 1464 C GLU A 105 10.262 -13.627 -5.057 1.00 1.06 C ATOM 1465 O GLU A 105 9.199 -13.343 -4.540 1.00 1.08 O ATOM 1466 CB GLU A 105 10.819 -15.177 -3.180 1.00 1.40 C ATOM 1467 CG GLU A 105 11.945 -16.013 -2.565 1.00 1.95 C ATOM 1468 CD GLU A 105 11.557 -17.493 -2.591 1.00 2.43 C ATOM 1469 OE1 GLU A 105 10.741 -17.885 -1.773 1.00 3.02 O ATOM 1470 OE2 GLU A 105 12.082 -18.209 -3.428 1.00 2.75 O ATOM 0 H GLU A 105 11.651 -12.672 -2.797 1.00 1.22 H new ATOM 0 HA GLU A 105 12.074 -14.784 -4.887 1.00 1.09 H new ATOM 0 HB2 GLU A 105 10.310 -14.606 -2.404 1.00 1.40 H new ATOM 0 HB3 GLU A 105 10.074 -15.830 -3.635 1.00 1.40 H new ATOM 0 HG2 GLU A 105 12.871 -15.859 -3.120 1.00 1.95 H new ATOM 0 HG3 GLU A 105 12.131 -15.693 -1.540 1.00 1.95 H new ATOM 1477 N PRO A 106 10.481 -13.426 -6.330 1.00 1.08 N ATOM 1478 CA PRO A 106 9.454 -12.841 -7.237 1.00 1.12 C ATOM 1479 C PRO A 106 8.082 -13.496 -7.058 1.00 1.24 C ATOM 1480 O PRO A 106 7.914 -14.679 -7.276 1.00 1.42 O ATOM 1481 CB PRO A 106 10.004 -13.121 -8.636 1.00 1.26 C ATOM 1482 CG PRO A 106 11.484 -13.220 -8.464 1.00 1.20 C ATOM 1483 CD PRO A 106 11.730 -13.736 -7.045 1.00 1.13 C ATOM 0 HA PRO A 106 9.293 -11.782 -7.037 1.00 1.12 H new ATOM 0 HB2 PRO A 106 9.593 -14.045 -9.043 1.00 1.26 H new ATOM 0 HB3 PRO A 106 9.741 -12.322 -9.329 1.00 1.26 H new ATOM 0 HG2 PRO A 106 11.915 -13.897 -9.202 1.00 1.20 H new ATOM 0 HG3 PRO A 106 11.956 -12.248 -8.609 1.00 1.20 H new ATOM 0 HD2 PRO A 106 11.937 -14.806 -7.040 1.00 1.13 H new ATOM 0 HD3 PRO A 106 12.586 -13.243 -6.584 1.00 1.13 H new ATOM 1491 N ALA A 107 7.102 -12.734 -6.661 1.00 1.17 N ATOM 1492 CA ALA A 107 5.741 -13.308 -6.466 1.00 1.31 C ATOM 1493 C ALA A 107 4.733 -12.175 -6.267 1.00 1.24 C ATOM 1494 O ALA A 107 5.100 -11.028 -6.099 1.00 1.04 O ATOM 1495 CB ALA A 107 5.742 -14.213 -5.232 1.00 1.37 C ATOM 0 H ALA A 107 7.184 -11.737 -6.463 1.00 1.17 H new ATOM 0 HA ALA A 107 5.463 -13.891 -7.344 1.00 1.31 H new ATOM 0 HB1 ALA A 107 4.747 -14.633 -5.088 1.00 1.37 H new ATOM 0 HB2 ALA A 107 6.460 -15.021 -5.374 1.00 1.37 H new ATOM 0 HB3 ALA A 107 6.020 -13.630 -4.354 1.00 1.37 H new ATOM 1501 N THR A 108 3.466 -12.484 -6.285 1.00 1.45 N ATOM 1502 CA THR A 108 2.438 -11.424 -6.097 1.00 1.43 C ATOM 1503 C THR A 108 2.102 -11.271 -4.615 1.00 1.38 C ATOM 1504 O THR A 108 2.047 -12.235 -3.877 1.00 1.47 O ATOM 1505 CB THR A 108 1.166 -11.800 -6.859 1.00 1.60 C ATOM 1506 OG1 THR A 108 1.064 -13.215 -6.938 1.00 1.72 O ATOM 1507 CG2 THR A 108 1.221 -11.211 -8.267 1.00 1.66 C ATOM 0 H THR A 108 3.099 -13.426 -6.422 1.00 1.45 H new ATOM 0 HA THR A 108 2.834 -10.482 -6.477 1.00 1.43 H new ATOM 0 HB THR A 108 0.297 -11.402 -6.335 1.00 1.60 H new ATOM 0 HG1 THR A 108 0.249 -13.458 -7.424 1.00 1.72 H new ATOM 0 HG21 THR A 108 0.314 -11.479 -8.809 1.00 1.66 H new ATOM 0 HG22 THR A 108 1.299 -10.126 -8.205 1.00 1.66 H new ATOM 0 HG23 THR A 108 2.089 -11.607 -8.793 1.00 1.66 H new ATOM 1515 N ARG A 109 1.852 -10.068 -4.180 1.00 1.33 N ATOM 1516 CA ARG A 109 1.489 -9.856 -2.754 1.00 1.32 C ATOM 1517 C ARG A 109 -0.012 -9.607 -2.688 1.00 1.37 C ATOM 1518 O ARG A 109 -0.544 -8.814 -3.437 1.00 1.49 O ATOM 1519 CB ARG A 109 2.216 -8.641 -2.185 1.00 1.27 C ATOM 1520 CG ARG A 109 3.730 -8.805 -2.345 1.00 1.97 C ATOM 1521 CD ARG A 109 4.084 -8.939 -3.829 1.00 2.63 C ATOM 1522 NE ARG A 109 5.451 -8.385 -4.086 1.00 3.48 N ATOM 1523 CZ ARG A 109 5.763 -7.161 -3.760 1.00 3.74 C ATOM 1524 NH1 ARG A 109 4.854 -6.350 -3.296 1.00 3.39 N ATOM 1525 NH2 ARG A 109 6.985 -6.733 -3.934 1.00 4.70 N ATOM 0 H ARG A 109 1.884 -9.223 -4.751 1.00 1.33 H new ATOM 0 HA ARG A 109 1.773 -10.732 -2.172 1.00 1.32 H new ATOM 0 HB2 ARG A 109 1.885 -7.738 -2.697 1.00 1.27 H new ATOM 0 HB3 ARG A 109 1.966 -8.520 -1.131 1.00 1.27 H new ATOM 0 HG2 ARG A 109 4.245 -7.946 -1.915 1.00 1.97 H new ATOM 0 HG3 ARG A 109 4.069 -9.686 -1.800 1.00 1.97 H new ATOM 0 HD2 ARG A 109 4.047 -9.987 -4.126 1.00 2.63 H new ATOM 0 HD3 ARG A 109 3.349 -8.409 -4.435 1.00 2.63 H new ATOM 0 HE ARG A 109 6.154 -8.978 -4.526 1.00 3.48 H new ATOM 0 HH11 ARG A 109 3.892 -6.671 -3.186 1.00 3.39 H new ATOM 0 HH12 ARG A 109 5.105 -5.394 -3.043 1.00 3.39 H new ATOM 0 HH21 ARG A 109 7.693 -7.355 -4.324 1.00 4.70 H new ATOM 0 HH22 ARG A 109 7.231 -5.776 -3.680 1.00 4.70 H new ATOM 1539 N GLU A 110 -0.696 -10.277 -1.813 1.00 1.37 N ATOM 1540 CA GLU A 110 -2.171 -10.085 -1.727 1.00 1.51 C ATOM 1541 C GLU A 110 -2.560 -9.524 -0.360 1.00 1.50 C ATOM 1542 O GLU A 110 -2.740 -10.254 0.594 1.00 1.45 O ATOM 1543 CB GLU A 110 -2.871 -11.430 -1.935 1.00 1.79 C ATOM 1544 CG GLU A 110 -4.324 -11.193 -2.351 1.00 2.12 C ATOM 1545 CD GLU A 110 -4.886 -12.463 -2.991 1.00 2.63 C ATOM 1546 OE1 GLU A 110 -4.533 -12.737 -4.126 1.00 2.69 O ATOM 1547 OE2 GLU A 110 -5.660 -13.140 -2.335 1.00 3.28 O ATOM 0 H GLU A 110 -0.303 -10.949 -1.153 1.00 1.37 H new ATOM 0 HA GLU A 110 -2.477 -9.379 -2.499 1.00 1.51 H new ATOM 0 HB2 GLU A 110 -2.352 -12.007 -2.701 1.00 1.79 H new ATOM 0 HB3 GLU A 110 -2.836 -12.016 -1.016 1.00 1.79 H new ATOM 0 HG2 GLU A 110 -4.921 -10.916 -1.482 1.00 2.12 H new ATOM 0 HG3 GLU A 110 -4.381 -10.363 -3.055 1.00 2.12 H new ATOM 1554 N TYR A 111 -2.717 -8.234 -0.263 1.00 1.66 N ATOM 1555 CA TYR A 111 -3.124 -7.628 1.033 1.00 1.81 C ATOM 1556 C TYR A 111 -4.563 -7.128 0.895 1.00 2.14 C ATOM 1557 O TYR A 111 -4.857 -6.265 0.091 1.00 2.42 O ATOM 1558 CB TYR A 111 -2.206 -6.452 1.384 1.00 1.87 C ATOM 1559 CG TYR A 111 -0.747 -6.846 1.276 1.00 1.94 C ATOM 1560 CD1 TYR A 111 -0.350 -8.190 1.355 1.00 2.76 C ATOM 1561 CD2 TYR A 111 0.219 -5.848 1.100 1.00 1.82 C ATOM 1562 CE1 TYR A 111 1.007 -8.527 1.258 1.00 2.96 C ATOM 1563 CE2 TYR A 111 1.573 -6.186 1.003 1.00 2.00 C ATOM 1564 CZ TYR A 111 1.968 -7.526 1.081 1.00 2.36 C ATOM 1565 OH TYR A 111 3.303 -7.859 0.985 1.00 2.67 O ATOM 0 H TYR A 111 -2.581 -7.572 -1.027 1.00 1.66 H new ATOM 0 HA TYR A 111 -3.050 -8.372 1.826 1.00 1.81 H new ATOM 0 HB2 TYR A 111 -2.410 -5.616 0.716 1.00 1.87 H new ATOM 0 HB3 TYR A 111 -2.419 -6.110 2.397 1.00 1.87 H new ATOM 0 HD1 TYR A 111 -1.090 -8.965 1.491 1.00 2.76 H new ATOM 0 HD2 TYR A 111 -0.082 -4.813 1.039 1.00 1.82 H new ATOM 0 HE1 TYR A 111 1.311 -9.561 1.320 1.00 2.96 H new ATOM 0 HE2 TYR A 111 2.314 -5.412 0.868 1.00 2.00 H new ATOM 0 HH TYR A 111 3.663 -8.029 1.880 1.00 2.67 H new ATOM 1575 N ALA A 112 -5.466 -7.676 1.661 1.00 2.33 N ATOM 1576 CA ALA A 112 -6.887 -7.245 1.562 1.00 2.71 C ATOM 1577 C ALA A 112 -7.326 -6.600 2.877 1.00 2.50 C ATOM 1578 O ALA A 112 -6.599 -6.592 3.851 1.00 2.65 O ATOM 1579 CB ALA A 112 -7.768 -8.463 1.277 1.00 3.41 C ATOM 0 H ALA A 112 -5.280 -8.404 2.351 1.00 2.33 H new ATOM 0 HA ALA A 112 -6.987 -6.520 0.754 1.00 2.71 H new ATOM 0 HB1 ALA A 112 -8.809 -8.150 1.204 1.00 3.41 H new ATOM 0 HB2 ALA A 112 -7.461 -8.923 0.338 1.00 3.41 H new ATOM 0 HB3 ALA A 112 -7.662 -9.186 2.086 1.00 3.41 H new ATOM 1585 N PHE A 113 -8.514 -6.063 2.913 1.00 2.28 N ATOM 1586 CA PHE A 113 -9.004 -5.423 4.165 1.00 2.20 C ATOM 1587 C PHE A 113 -10.532 -5.444 4.188 1.00 1.67 C ATOM 1588 O PHE A 113 -11.172 -5.922 3.273 1.00 1.59 O ATOM 1589 CB PHE A 113 -8.518 -3.974 4.235 1.00 2.57 C ATOM 1590 CG PHE A 113 -8.845 -3.264 2.943 1.00 2.45 C ATOM 1591 CD1 PHE A 113 -8.200 -3.633 1.756 1.00 2.38 C ATOM 1592 CD2 PHE A 113 -9.793 -2.234 2.934 1.00 2.65 C ATOM 1593 CE1 PHE A 113 -8.504 -2.971 0.560 1.00 2.44 C ATOM 1594 CE2 PHE A 113 -10.097 -1.573 1.737 1.00 2.77 C ATOM 1595 CZ PHE A 113 -9.452 -1.942 0.550 1.00 2.64 C ATOM 0 H PHE A 113 -9.166 -6.040 2.129 1.00 2.28 H new ATOM 0 HA PHE A 113 -8.617 -5.976 5.021 1.00 2.20 H new ATOM 0 HB2 PHE A 113 -8.991 -3.462 5.073 1.00 2.57 H new ATOM 0 HB3 PHE A 113 -7.443 -3.949 4.413 1.00 2.57 H new ATOM 0 HD1 PHE A 113 -7.469 -4.428 1.763 1.00 2.38 H new ATOM 0 HD2 PHE A 113 -10.290 -1.949 3.850 1.00 2.65 H new ATOM 0 HE1 PHE A 113 -8.006 -3.255 -0.355 1.00 2.44 H new ATOM 0 HE2 PHE A 113 -10.829 -0.779 1.730 1.00 2.77 H new ATOM 0 HZ PHE A 113 -9.686 -1.432 -0.373 1.00 2.64 H new ATOM 1605 N THR A 114 -11.119 -4.930 5.233 1.00 1.53 N ATOM 1606 CA THR A 114 -12.605 -4.918 5.325 1.00 1.47 C ATOM 1607 C THR A 114 -13.120 -3.492 5.127 1.00 1.85 C ATOM 1608 O THR A 114 -12.988 -2.648 5.991 1.00 2.23 O ATOM 1609 CB THR A 114 -13.026 -5.424 6.706 1.00 1.92 C ATOM 1610 OG1 THR A 114 -12.018 -5.101 7.654 1.00 2.12 O ATOM 1611 CG2 THR A 114 -13.219 -6.941 6.661 1.00 2.22 C ATOM 0 H THR A 114 -10.632 -4.517 6.029 1.00 1.53 H new ATOM 0 HA THR A 114 -13.024 -5.563 4.553 1.00 1.47 H new ATOM 0 HB THR A 114 -13.964 -4.950 6.996 1.00 1.92 H new ATOM 0 HG1 THR A 114 -12.287 -5.423 8.540 1.00 2.12 H new ATOM 0 HG21 THR A 114 -13.519 -7.299 7.646 1.00 2.22 H new ATOM 0 HG22 THR A 114 -13.993 -7.188 5.934 1.00 2.22 H new ATOM 0 HG23 THR A 114 -12.283 -7.418 6.371 1.00 2.22 H new ATOM 1619 N SER A 115 -13.708 -3.216 3.995 1.00 2.24 N ATOM 1620 CA SER A 115 -14.235 -1.845 3.744 1.00 2.93 C ATOM 1621 C SER A 115 -14.793 -1.271 5.047 1.00 3.67 C ATOM 1622 O SER A 115 -15.742 -1.784 5.608 1.00 4.11 O ATOM 1623 CB SER A 115 -15.344 -1.912 2.692 1.00 3.21 C ATOM 1624 OG SER A 115 -15.605 -0.604 2.202 1.00 4.06 O ATOM 0 H SER A 115 -13.846 -3.880 3.234 1.00 2.24 H new ATOM 0 HA SER A 115 -13.432 -1.203 3.381 1.00 2.93 H new ATOM 0 HB2 SER A 115 -15.046 -2.567 1.873 1.00 3.21 H new ATOM 0 HB3 SER A 115 -16.249 -2.337 3.127 1.00 3.21 H new ATOM 0 HG SER A 115 -14.973 0.028 2.604 1.00 4.06 H new ATOM 1630 N ASN A 116 -14.211 -0.209 5.536 1.00 3.92 N ATOM 1631 CA ASN A 116 -14.707 0.396 6.804 1.00 4.70 C ATOM 1632 C ASN A 116 -15.647 1.560 6.482 1.00 4.40 C ATOM 1633 O ASN A 116 -16.745 1.643 6.995 1.00 4.82 O ATOM 1634 CB ASN A 116 -13.522 0.911 7.622 1.00 5.27 C ATOM 1635 CG ASN A 116 -12.433 -0.164 7.675 1.00 6.19 C ATOM 1636 OD1 ASN A 116 -11.857 -0.546 6.568 1.00 6.51 O flip ATOM 1637 ND2 ASN A 116 -12.104 -0.661 8.734 1.00 6.86 N flip ATOM 0 H ASN A 116 -13.414 0.265 5.112 1.00 3.92 H new ATOM 0 HA ASN A 116 -15.245 -0.358 7.378 1.00 4.70 H new ATOM 0 HB2 ASN A 116 -13.126 1.823 7.175 1.00 5.27 H new ATOM 0 HB3 ASN A 116 -13.846 1.166 8.631 1.00 5.27 H new ATOM 0 HD21 ASN A 116 -12.554 -0.362 9.599 1.00 6.86 H new ATOM 0 HD22 ASN A 116 -11.378 -1.377 8.758 1.00 6.86 H new ATOM 1644 N LEU A 117 -15.225 2.463 5.638 1.00 3.81 N ATOM 1645 CA LEU A 117 -16.095 3.619 5.288 1.00 3.59 C ATOM 1646 C LEU A 117 -16.517 3.520 3.821 1.00 3.13 C ATOM 1647 O LEU A 117 -16.369 2.492 3.191 1.00 3.28 O ATOM 1648 CB LEU A 117 -15.331 4.921 5.513 1.00 3.83 C ATOM 1649 CG LEU A 117 -15.946 5.663 6.699 1.00 4.66 C ATOM 1650 CD1 LEU A 117 -15.210 6.981 6.900 1.00 5.12 C ATOM 1651 CD2 LEU A 117 -17.424 5.948 6.419 1.00 4.76 C ATOM 0 H LEU A 117 -14.315 2.449 5.177 1.00 3.81 H new ATOM 0 HA LEU A 117 -16.983 3.606 5.920 1.00 3.59 H new ATOM 0 HB2 LEU A 117 -14.279 4.711 5.705 1.00 3.83 H new ATOM 0 HB3 LEU A 117 -15.374 5.542 4.618 1.00 3.83 H new ATOM 0 HG LEU A 117 -15.860 5.049 7.596 1.00 4.66 H new ATOM 0 HD11 LEU A 117 -15.644 7.515 7.745 1.00 5.12 H new ATOM 0 HD12 LEU A 117 -14.157 6.783 7.099 1.00 5.12 H new ATOM 0 HD13 LEU A 117 -15.301 7.590 6.000 1.00 5.12 H new ATOM 0 HD21 LEU A 117 -17.859 6.477 7.267 1.00 4.76 H new ATOM 0 HD22 LEU A 117 -17.513 6.563 5.523 1.00 4.76 H new ATOM 0 HD23 LEU A 117 -17.954 5.007 6.268 1.00 4.76 H new ATOM 1663 N THR A 118 -17.044 4.581 3.272 1.00 3.12 N ATOM 1664 CA THR A 118 -17.476 4.547 1.848 1.00 3.08 C ATOM 1665 C THR A 118 -16.509 5.379 1.003 1.00 3.13 C ATOM 1666 O THR A 118 -16.278 6.541 1.270 1.00 3.70 O ATOM 1667 CB THR A 118 -18.884 5.133 1.737 1.00 3.62 C ATOM 1668 OG1 THR A 118 -19.073 6.101 2.758 1.00 4.06 O ATOM 1669 CG2 THR A 118 -19.918 4.017 1.892 1.00 4.04 C ATOM 0 H THR A 118 -17.194 5.470 3.750 1.00 3.12 H new ATOM 0 HA THR A 118 -17.478 3.518 1.488 1.00 3.08 H new ATOM 0 HB THR A 118 -19.006 5.604 0.762 1.00 3.62 H new ATOM 0 HG1 THR A 118 -19.974 6.479 2.688 1.00 4.06 H new ATOM 0 HG21 THR A 118 -20.921 4.437 1.813 1.00 4.04 H new ATOM 0 HG22 THR A 118 -19.772 3.274 1.108 1.00 4.04 H new ATOM 0 HG23 THR A 118 -19.799 3.543 2.867 1.00 4.04 H new ATOM 1677 N PHE A 119 -15.941 4.793 -0.015 1.00 2.76 N ATOM 1678 CA PHE A 119 -14.989 5.551 -0.875 1.00 3.07 C ATOM 1679 C PHE A 119 -15.267 5.234 -2.346 1.00 2.72 C ATOM 1680 O PHE A 119 -14.455 4.639 -3.025 1.00 2.65 O ATOM 1681 CB PHE A 119 -13.555 5.148 -0.527 1.00 3.53 C ATOM 1682 CG PHE A 119 -13.313 5.371 0.947 1.00 4.12 C ATOM 1683 CD1 PHE A 119 -13.523 6.636 1.509 1.00 4.47 C ATOM 1684 CD2 PHE A 119 -12.876 4.311 1.752 1.00 4.69 C ATOM 1685 CE1 PHE A 119 -13.298 6.840 2.875 1.00 5.10 C ATOM 1686 CE2 PHE A 119 -12.651 4.516 3.118 1.00 5.33 C ATOM 1687 CZ PHE A 119 -12.862 5.781 3.680 1.00 5.44 C ATOM 0 H PHE A 119 -16.095 3.822 -0.288 1.00 2.76 H new ATOM 0 HA PHE A 119 -15.117 6.620 -0.704 1.00 3.07 H new ATOM 0 HB2 PHE A 119 -13.389 4.101 -0.779 1.00 3.53 H new ATOM 0 HB3 PHE A 119 -12.848 5.734 -1.115 1.00 3.53 H new ATOM 0 HD1 PHE A 119 -13.858 7.454 0.889 1.00 4.47 H new ATOM 0 HD2 PHE A 119 -12.713 3.335 1.318 1.00 4.69 H new ATOM 0 HE1 PHE A 119 -13.461 7.816 3.309 1.00 5.10 H new ATOM 0 HE2 PHE A 119 -12.315 3.699 3.739 1.00 5.33 H new ATOM 0 HZ PHE A 119 -12.688 5.940 4.734 1.00 5.44 H new ATOM 1697 N PRO A 120 -16.411 5.633 -2.830 1.00 2.96 N ATOM 1698 CA PRO A 120 -16.817 5.397 -4.244 1.00 2.86 C ATOM 1699 C PRO A 120 -15.993 6.233 -5.227 1.00 3.02 C ATOM 1700 O PRO A 120 -15.296 7.149 -4.840 1.00 3.70 O ATOM 1701 CB PRO A 120 -18.289 5.821 -4.283 1.00 3.40 C ATOM 1702 CG PRO A 120 -18.468 6.759 -3.136 1.00 4.04 C ATOM 1703 CD PRO A 120 -17.444 6.357 -2.073 1.00 3.80 C ATOM 0 HA PRO A 120 -16.659 4.360 -4.541 1.00 2.86 H new ATOM 0 HB2 PRO A 120 -18.532 6.307 -5.228 1.00 3.40 H new ATOM 0 HB3 PRO A 120 -18.948 4.958 -4.190 1.00 3.40 H new ATOM 0 HG2 PRO A 120 -18.312 7.790 -3.452 1.00 4.04 H new ATOM 0 HG3 PRO A 120 -19.482 6.696 -2.740 1.00 4.04 H new ATOM 0 HD2 PRO A 120 -17.030 7.229 -1.567 1.00 3.80 H new ATOM 0 HD3 PRO A 120 -17.892 5.726 -1.305 1.00 3.80 H new ATOM 1711 N PRO A 121 -16.077 5.918 -6.492 1.00 2.87 N ATOM 1712 CA PRO A 121 -15.332 6.647 -7.555 1.00 3.45 C ATOM 1713 C PRO A 121 -16.021 7.958 -7.942 1.00 3.18 C ATOM 1714 O PRO A 121 -15.417 8.845 -8.509 1.00 3.79 O ATOM 1715 CB PRO A 121 -15.341 5.670 -8.728 1.00 3.90 C ATOM 1716 CG PRO A 121 -16.578 4.851 -8.551 1.00 3.47 C ATOM 1717 CD PRO A 121 -16.894 4.830 -7.052 1.00 2.74 C ATOM 0 HA PRO A 121 -14.331 6.933 -7.233 1.00 3.45 H new ATOM 0 HB2 PRO A 121 -15.353 6.200 -9.681 1.00 3.90 H new ATOM 0 HB3 PRO A 121 -14.450 5.042 -8.724 1.00 3.90 H new ATOM 0 HG2 PRO A 121 -17.407 5.280 -9.113 1.00 3.47 H new ATOM 0 HG3 PRO A 121 -16.427 3.839 -8.927 1.00 3.47 H new ATOM 0 HD2 PRO A 121 -17.956 4.994 -6.867 1.00 2.74 H new ATOM 0 HD3 PRO A 121 -16.637 3.870 -6.605 1.00 2.74 H new ATOM 1725 N ASP A 122 -17.283 8.083 -7.637 1.00 2.63 N ATOM 1726 CA ASP A 122 -18.013 9.334 -7.986 1.00 2.65 C ATOM 1727 C ASP A 122 -18.338 10.108 -6.707 1.00 2.94 C ATOM 1728 O ASP A 122 -19.140 9.683 -5.899 1.00 3.74 O ATOM 1729 CB ASP A 122 -19.312 8.982 -8.714 1.00 2.79 C ATOM 1730 CG ASP A 122 -19.804 7.610 -8.246 1.00 3.42 C ATOM 1731 OD1 ASP A 122 -19.365 7.173 -7.196 1.00 4.14 O ATOM 1732 OD2 ASP A 122 -20.610 7.021 -8.947 1.00 3.56 O ATOM 0 H ASP A 122 -17.840 7.373 -7.161 1.00 2.63 H new ATOM 0 HA ASP A 122 -17.389 9.949 -8.635 1.00 2.65 H new ATOM 0 HB2 ASP A 122 -20.070 9.739 -8.514 1.00 2.79 H new ATOM 0 HB3 ASP A 122 -19.147 8.973 -9.791 1.00 2.79 H new ATOM 1737 N GLY A 123 -17.722 11.242 -6.515 1.00 2.81 N ATOM 1738 CA GLY A 123 -17.997 12.042 -5.288 1.00 3.57 C ATOM 1739 C GLY A 123 -16.792 12.931 -4.975 1.00 3.16 C ATOM 1740 O GLY A 123 -16.200 13.523 -5.856 1.00 3.47 O ATOM 0 H GLY A 123 -17.040 11.649 -7.155 1.00 2.81 H new ATOM 0 HA2 GLY A 123 -18.886 12.655 -5.433 1.00 3.57 H new ATOM 0 HA3 GLY A 123 -18.201 11.379 -4.447 1.00 3.57 H new ATOM 1744 N ASP A 124 -16.425 13.030 -3.727 1.00 2.78 N ATOM 1745 CA ASP A 124 -15.258 13.881 -3.359 1.00 2.58 C ATOM 1746 C ASP A 124 -14.018 13.401 -4.115 1.00 2.15 C ATOM 1747 O ASP A 124 -13.626 13.977 -5.111 1.00 2.31 O ATOM 1748 CB ASP A 124 -15.010 13.781 -1.852 1.00 3.01 C ATOM 1749 CG ASP A 124 -14.890 15.186 -1.260 1.00 3.26 C ATOM 1750 OD1 ASP A 124 -14.337 16.045 -1.928 1.00 3.51 O ATOM 1751 OD2 ASP A 124 -15.353 15.380 -0.147 1.00 3.59 O ATOM 0 H ASP A 124 -16.882 12.559 -2.946 1.00 2.78 H new ATOM 0 HA ASP A 124 -15.465 14.918 -3.625 1.00 2.58 H new ATOM 0 HB2 ASP A 124 -15.827 13.242 -1.373 1.00 3.01 H new ATOM 0 HB3 ASP A 124 -14.099 13.215 -1.660 1.00 3.01 H new ATOM 1756 N ALA A 125 -13.398 12.351 -3.652 1.00 1.83 N ATOM 1757 CA ALA A 125 -12.184 11.836 -4.345 1.00 1.67 C ATOM 1758 C ALA A 125 -12.375 10.354 -4.672 1.00 1.39 C ATOM 1759 O ALA A 125 -13.058 9.638 -3.968 1.00 1.38 O ATOM 1760 CB ALA A 125 -10.966 12.007 -3.434 1.00 2.08 C ATOM 0 H ALA A 125 -13.680 11.827 -2.823 1.00 1.83 H new ATOM 0 HA ALA A 125 -12.027 12.394 -5.268 1.00 1.67 H new ATOM 0 HB1 ALA A 125 -10.077 11.630 -3.940 1.00 2.08 H new ATOM 0 HB2 ALA A 125 -10.831 13.063 -3.201 1.00 2.08 H new ATOM 0 HB3 ALA A 125 -11.121 11.449 -2.510 1.00 2.08 H new ATOM 1766 N PRO A 126 -11.770 9.901 -5.736 1.00 1.26 N ATOM 1767 CA PRO A 126 -11.866 8.479 -6.176 1.00 1.14 C ATOM 1768 C PRO A 126 -11.078 7.535 -5.262 1.00 1.05 C ATOM 1769 O PRO A 126 -10.797 7.849 -4.123 1.00 1.36 O ATOM 1770 CB PRO A 126 -11.262 8.488 -7.581 1.00 1.27 C ATOM 1771 CG PRO A 126 -10.350 9.669 -7.614 1.00 1.31 C ATOM 1772 CD PRO A 126 -10.925 10.698 -6.640 1.00 1.39 C ATOM 0 HA PRO A 126 -12.894 8.117 -6.147 1.00 1.14 H new ATOM 0 HB2 PRO A 126 -10.717 7.565 -7.780 1.00 1.27 H new ATOM 0 HB3 PRO A 126 -12.038 8.570 -8.342 1.00 1.27 H new ATOM 0 HG2 PRO A 126 -9.339 9.385 -7.324 1.00 1.31 H new ATOM 0 HG3 PRO A 126 -10.288 10.082 -8.621 1.00 1.31 H new ATOM 0 HD2 PRO A 126 -10.136 11.216 -6.095 1.00 1.39 H new ATOM 0 HD3 PRO A 126 -11.505 11.459 -7.161 1.00 1.39 H new ATOM 1780 N GLY A 127 -10.721 6.380 -5.755 1.00 1.02 N ATOM 1781 CA GLY A 127 -9.952 5.418 -4.915 1.00 1.03 C ATOM 1782 C GLY A 127 -8.582 6.007 -4.583 1.00 1.09 C ATOM 1783 O GLY A 127 -8.197 7.038 -5.098 1.00 1.19 O ATOM 0 H GLY A 127 -10.928 6.061 -6.702 1.00 1.02 H new ATOM 0 HA2 GLY A 127 -10.499 5.204 -3.997 1.00 1.03 H new ATOM 0 HA3 GLY A 127 -9.834 4.472 -5.444 1.00 1.03 H new ATOM 1787 N GLN A 128 -7.840 5.359 -3.726 1.00 1.12 N ATOM 1788 CA GLN A 128 -6.495 5.885 -3.365 1.00 1.26 C ATOM 1789 C GLN A 128 -5.555 4.722 -3.042 1.00 1.11 C ATOM 1790 O GLN A 128 -5.736 4.015 -2.071 1.00 1.11 O ATOM 1791 CB GLN A 128 -6.614 6.799 -2.144 1.00 1.53 C ATOM 1792 CG GLN A 128 -5.566 7.910 -2.233 1.00 1.64 C ATOM 1793 CD GLN A 128 -5.033 8.223 -0.834 1.00 1.87 C ATOM 1794 OE1 GLN A 128 -4.984 9.368 -0.432 1.00 2.01 O ATOM 1795 NE2 GLN A 128 -4.630 7.245 -0.068 1.00 1.99 N ATOM 0 H GLN A 128 -8.107 4.491 -3.262 1.00 1.12 H new ATOM 0 HA GLN A 128 -6.093 6.451 -4.205 1.00 1.26 H new ATOM 0 HB2 GLN A 128 -7.614 7.231 -2.096 1.00 1.53 H new ATOM 0 HB3 GLN A 128 -6.471 6.223 -1.230 1.00 1.53 H new ATOM 0 HG2 GLN A 128 -4.748 7.602 -2.884 1.00 1.64 H new ATOM 0 HG3 GLN A 128 -6.006 8.804 -2.675 1.00 1.64 H new ATOM 0 HE21 GLN A 128 -4.671 6.283 -0.405 1.00 1.99 H new ATOM 0 HE22 GLN A 128 -4.274 7.443 0.867 1.00 1.99 H new ATOM 1804 N VAL A 129 -4.544 4.531 -3.843 1.00 1.03 N ATOM 1805 CA VAL A 129 -3.576 3.430 -3.585 1.00 0.91 C ATOM 1806 C VAL A 129 -2.167 3.999 -3.729 1.00 0.88 C ATOM 1807 O VAL A 129 -1.882 4.727 -4.657 1.00 1.00 O ATOM 1808 CB VAL A 129 -3.792 2.300 -4.599 1.00 0.94 C ATOM 1809 CG1 VAL A 129 -2.956 2.562 -5.854 1.00 1.28 C ATOM 1810 CG2 VAL A 129 -3.367 0.969 -3.976 1.00 0.89 C ATOM 0 H VAL A 129 -4.346 5.094 -4.670 1.00 1.03 H new ATOM 0 HA VAL A 129 -3.718 3.025 -2.583 1.00 0.91 H new ATOM 0 HB VAL A 129 -4.847 2.258 -4.871 1.00 0.94 H new ATOM 0 HG11 VAL A 129 -3.113 1.756 -6.571 1.00 1.28 H new ATOM 0 HG12 VAL A 129 -3.258 3.509 -6.301 1.00 1.28 H new ATOM 0 HG13 VAL A 129 -1.901 2.608 -5.585 1.00 1.28 H new ATOM 0 HG21 VAL A 129 -3.520 0.165 -4.696 1.00 0.89 H new ATOM 0 HG22 VAL A 129 -2.313 1.015 -3.703 1.00 0.89 H new ATOM 0 HG23 VAL A 129 -3.965 0.777 -3.085 1.00 0.89 H new ATOM 1820 N ALA A 130 -1.287 3.703 -2.816 1.00 0.78 N ATOM 1821 CA ALA A 130 0.081 4.272 -2.928 1.00 0.85 C ATOM 1822 C ALA A 130 1.101 3.366 -2.241 1.00 0.75 C ATOM 1823 O ALA A 130 1.033 3.120 -1.052 1.00 0.73 O ATOM 1824 CB ALA A 130 0.095 5.653 -2.273 1.00 0.98 C ATOM 0 H ALA A 130 -1.452 3.101 -2.009 1.00 0.78 H new ATOM 0 HA ALA A 130 0.350 4.352 -3.981 1.00 0.85 H new ATOM 0 HB1 ALA A 130 1.094 6.081 -2.349 1.00 0.98 H new ATOM 0 HB2 ALA A 130 -0.618 6.303 -2.780 1.00 0.98 H new ATOM 0 HB3 ALA A 130 -0.181 5.560 -1.223 1.00 0.98 H new ATOM 1830 N PHE A 131 2.059 2.881 -2.983 1.00 0.75 N ATOM 1831 CA PHE A 131 3.099 2.005 -2.374 1.00 0.70 C ATOM 1832 C PHE A 131 4.171 2.902 -1.756 1.00 0.77 C ATOM 1833 O PHE A 131 4.783 3.701 -2.435 1.00 0.99 O ATOM 1834 CB PHE A 131 3.744 1.123 -3.447 1.00 0.70 C ATOM 1835 CG PHE A 131 2.733 0.174 -4.060 1.00 0.84 C ATOM 1836 CD1 PHE A 131 1.374 0.225 -3.707 1.00 1.29 C ATOM 1837 CD2 PHE A 131 3.169 -0.771 -4.997 1.00 1.49 C ATOM 1838 CE1 PHE A 131 0.465 -0.667 -4.292 1.00 1.54 C ATOM 1839 CE2 PHE A 131 2.260 -1.660 -5.580 1.00 1.73 C ATOM 1840 CZ PHE A 131 0.908 -1.608 -5.228 1.00 1.48 C ATOM 0 H PHE A 131 2.166 3.053 -3.983 1.00 0.75 H new ATOM 0 HA PHE A 131 2.644 1.364 -1.619 1.00 0.70 H new ATOM 0 HB2 PHE A 131 4.175 1.751 -4.226 1.00 0.70 H new ATOM 0 HB3 PHE A 131 4.562 0.552 -3.008 1.00 0.70 H new ATOM 0 HD1 PHE A 131 1.030 0.951 -2.985 1.00 1.29 H new ATOM 0 HD2 PHE A 131 4.213 -0.814 -5.271 1.00 1.49 H new ATOM 0 HE1 PHE A 131 -0.579 -0.628 -4.020 1.00 1.54 H new ATOM 0 HE2 PHE A 131 2.603 -2.387 -6.302 1.00 1.73 H new ATOM 0 HZ PHE A 131 0.206 -2.294 -5.678 1.00 1.48 H new ATOM 1850 N HIS A 132 4.397 2.790 -0.475 1.00 0.82 N ATOM 1851 CA HIS A 132 5.424 3.652 0.173 1.00 0.96 C ATOM 1852 C HIS A 132 6.723 2.868 0.352 1.00 1.03 C ATOM 1853 O HIS A 132 6.780 1.893 1.074 1.00 1.41 O ATOM 1854 CB HIS A 132 4.913 4.112 1.539 1.00 1.41 C ATOM 1855 CG HIS A 132 4.320 5.489 1.418 1.00 1.36 C ATOM 1856 ND1 HIS A 132 3.169 5.861 2.093 1.00 1.70 N ATOM 1857 CD2 HIS A 132 4.708 6.596 0.702 1.00 1.88 C ATOM 1858 CE1 HIS A 132 2.905 7.141 1.774 1.00 1.96 C ATOM 1859 NE2 HIS A 132 3.813 7.638 0.930 1.00 2.32 N ATOM 0 H HIS A 132 3.916 2.141 0.148 1.00 0.82 H new ATOM 0 HA HIS A 132 5.614 4.520 -0.458 1.00 0.96 H new ATOM 0 HB2 HIS A 132 4.164 3.414 1.912 1.00 1.41 H new ATOM 0 HB3 HIS A 132 5.730 4.119 2.261 1.00 1.41 H new ATOM 0 HD2 HIS A 132 5.575 6.650 0.060 1.00 1.88 H new ATOM 0 HE1 HIS A 132 2.062 7.699 2.154 1.00 1.96 H new ATOM 0 HE2 HIS A 132 3.844 8.579 0.537 1.00 2.32 H new ATOM 1867 N LEU A 133 7.772 3.290 -0.301 1.00 1.00 N ATOM 1868 CA LEU A 133 9.073 2.576 -0.169 1.00 1.39 C ATOM 1869 C LEU A 133 10.202 3.604 -0.066 1.00 1.62 C ATOM 1870 O LEU A 133 11.278 3.414 -0.596 1.00 2.04 O ATOM 1871 CB LEU A 133 9.301 1.690 -1.396 1.00 1.58 C ATOM 1872 CG LEU A 133 7.968 1.104 -1.863 1.00 1.41 C ATOM 1873 CD1 LEU A 133 7.285 2.088 -2.815 1.00 1.52 C ATOM 1874 CD2 LEU A 133 8.220 -0.217 -2.593 1.00 2.11 C ATOM 0 H LEU A 133 7.783 4.100 -0.921 1.00 1.00 H new ATOM 0 HA LEU A 133 9.058 1.954 0.726 1.00 1.39 H new ATOM 0 HB2 LEU A 133 9.754 2.273 -2.198 1.00 1.58 H new ATOM 0 HB3 LEU A 133 9.997 0.887 -1.153 1.00 1.58 H new ATOM 0 HG LEU A 133 7.326 0.927 -1.000 1.00 1.41 H new ATOM 0 HD11 LEU A 133 6.335 1.671 -3.149 1.00 1.52 H new ATOM 0 HD12 LEU A 133 7.106 3.030 -2.297 1.00 1.52 H new ATOM 0 HD13 LEU A 133 7.927 2.264 -3.678 1.00 1.52 H new ATOM 0 HD21 LEU A 133 7.270 -0.635 -2.926 1.00 2.11 H new ATOM 0 HD22 LEU A 133 8.861 -0.039 -3.456 1.00 2.11 H new ATOM 0 HD23 LEU A 133 8.708 -0.919 -1.917 1.00 2.11 H new ATOM 1886 N GLY A 134 9.964 4.694 0.610 1.00 1.46 N ATOM 1887 CA GLY A 134 11.025 5.732 0.746 1.00 1.77 C ATOM 1888 C GLY A 134 11.818 5.484 2.030 1.00 1.08 C ATOM 1889 O GLY A 134 11.318 5.659 3.123 1.00 0.83 O ATOM 0 H GLY A 134 9.082 4.911 1.074 1.00 1.46 H new ATOM 0 HA2 GLY A 134 11.691 5.702 -0.117 1.00 1.77 H new ATOM 0 HA3 GLY A 134 10.577 6.725 0.769 1.00 1.77 H new ATOM 1893 N LYS A 135 13.051 5.074 1.907 1.00 1.23 N ATOM 1894 CA LYS A 135 13.871 4.812 3.122 1.00 1.09 C ATOM 1895 C LYS A 135 15.356 4.840 2.762 1.00 1.32 C ATOM 1896 O LYS A 135 15.778 4.267 1.777 1.00 1.76 O ATOM 1897 CB LYS A 135 13.512 3.441 3.700 1.00 1.93 C ATOM 1898 CG LYS A 135 12.068 3.462 4.206 1.00 2.37 C ATOM 1899 CD LYS A 135 11.809 2.220 5.061 1.00 3.36 C ATOM 1900 CE LYS A 135 10.713 2.523 6.084 1.00 4.04 C ATOM 1901 NZ LYS A 135 10.262 1.253 6.720 1.00 5.06 N ATOM 0 H LYS A 135 13.525 4.910 1.019 1.00 1.23 H new ATOM 0 HA LYS A 135 13.666 5.584 3.864 1.00 1.09 H new ATOM 0 HB2 LYS A 135 13.630 2.671 2.938 1.00 1.93 H new ATOM 0 HB3 LYS A 135 14.190 3.189 4.515 1.00 1.93 H new ATOM 0 HG2 LYS A 135 11.890 4.364 4.792 1.00 2.37 H new ATOM 0 HG3 LYS A 135 11.377 3.487 3.364 1.00 2.37 H new ATOM 0 HD2 LYS A 135 11.509 1.386 4.427 1.00 3.36 H new ATOM 0 HD3 LYS A 135 12.724 1.920 5.571 1.00 3.36 H new ATOM 0 HE2 LYS A 135 11.089 3.209 6.843 1.00 4.04 H new ATOM 0 HE3 LYS A 135 9.872 3.017 5.597 1.00 4.04 H new ATOM 0 HZ1 LYS A 135 9.517 1.459 7.416 1.00 5.06 H new ATOM 0 HZ2 LYS A 135 9.888 0.613 5.990 1.00 5.06 H new ATOM 0 HZ3 LYS A 135 11.066 0.800 7.198 1.00 5.06 H new ATOM 1915 N ALA A 136 16.153 5.499 3.559 1.00 1.56 N ATOM 1916 CA ALA A 136 17.612 5.556 3.270 1.00 1.90 C ATOM 1917 C ALA A 136 18.053 4.207 2.712 1.00 2.22 C ATOM 1918 O ALA A 136 19.041 4.101 2.013 1.00 2.64 O ATOM 1919 CB ALA A 136 18.375 5.843 4.566 1.00 2.27 C ATOM 0 H ALA A 136 15.856 5.999 4.397 1.00 1.56 H new ATOM 0 HA ALA A 136 17.819 6.345 2.546 1.00 1.90 H new ATOM 0 HB1 ALA A 136 19.444 5.885 4.357 1.00 2.27 H new ATOM 0 HB2 ALA A 136 18.048 6.798 4.977 1.00 2.27 H new ATOM 0 HB3 ALA A 136 18.177 5.050 5.288 1.00 2.27 H new ATOM 1925 N GLY A 137 17.319 3.174 3.016 1.00 2.17 N ATOM 1926 CA GLY A 137 17.683 1.827 2.504 1.00 2.51 C ATOM 1927 C GLY A 137 16.431 1.125 1.979 1.00 1.81 C ATOM 1928 O GLY A 137 16.373 -0.087 1.927 1.00 2.11 O ATOM 0 H GLY A 137 16.482 3.206 3.598 1.00 2.17 H new ATOM 0 HA2 GLY A 137 18.423 1.916 1.709 1.00 2.51 H new ATOM 0 HA3 GLY A 137 18.138 1.235 3.298 1.00 2.51 H new ATOM 1932 N ALA A 138 15.424 1.865 1.591 1.00 1.23 N ATOM 1933 CA ALA A 138 14.184 1.211 1.074 1.00 1.37 C ATOM 1934 C ALA A 138 14.525 0.227 -0.046 1.00 1.13 C ATOM 1935 O ALA A 138 13.658 -0.326 -0.689 1.00 1.41 O ATOM 1936 CB ALA A 138 13.214 2.272 0.556 1.00 2.32 C ATOM 0 H ALA A 138 15.406 2.885 1.609 1.00 1.23 H new ATOM 0 HA ALA A 138 13.714 0.662 1.890 1.00 1.37 H new ATOM 0 HB1 ALA A 138 12.312 1.788 0.181 1.00 2.32 H new ATOM 0 HB2 ALA A 138 12.951 2.951 1.367 1.00 2.32 H new ATOM 0 HB3 ALA A 138 13.686 2.834 -0.249 1.00 2.32 H new ATOM 1942 N TYR A 139 15.786 0.009 -0.266 1.00 0.82 N ATOM 1943 CA TYR A 139 16.234 -0.949 -1.320 1.00 0.75 C ATOM 1944 C TYR A 139 15.501 -0.687 -2.638 1.00 0.76 C ATOM 1945 O TYR A 139 14.897 0.350 -2.831 1.00 0.83 O ATOM 1946 CB TYR A 139 15.976 -2.388 -0.858 1.00 0.74 C ATOM 1947 CG TYR A 139 14.648 -2.478 -0.142 1.00 0.79 C ATOM 1948 CD1 TYR A 139 13.481 -2.753 -0.865 1.00 1.42 C ATOM 1949 CD2 TYR A 139 14.584 -2.287 1.243 1.00 1.41 C ATOM 1950 CE1 TYR A 139 12.251 -2.836 -0.203 1.00 1.61 C ATOM 1951 CE2 TYR A 139 13.354 -2.369 1.905 1.00 1.42 C ATOM 1952 CZ TYR A 139 12.187 -2.644 1.183 1.00 1.11 C ATOM 1953 OH TYR A 139 10.974 -2.725 1.835 1.00 1.32 O ATOM 0 H TYR A 139 16.543 0.460 0.247 1.00 0.82 H new ATOM 0 HA TYR A 139 17.302 -0.807 -1.485 1.00 0.75 H new ATOM 0 HB2 TYR A 139 15.980 -3.059 -1.717 1.00 0.74 H new ATOM 0 HB3 TYR A 139 16.777 -2.714 -0.195 1.00 0.74 H new ATOM 0 HD1 TYR A 139 13.530 -2.901 -1.934 1.00 1.42 H new ATOM 0 HD2 TYR A 139 15.484 -2.076 1.801 1.00 1.41 H new ATOM 0 HE1 TYR A 139 11.351 -3.048 -0.761 1.00 1.61 H new ATOM 0 HE2 TYR A 139 13.305 -2.220 2.974 1.00 1.42 H new ATOM 0 HH TYR A 139 11.126 -2.878 2.791 1.00 1.32 H new ATOM 1963 N GLU A 140 15.569 -1.615 -3.556 1.00 0.80 N ATOM 1964 CA GLU A 140 14.902 -1.420 -4.874 1.00 0.87 C ATOM 1965 C GLU A 140 13.532 -2.101 -4.886 1.00 0.77 C ATOM 1966 O GLU A 140 13.258 -2.992 -4.109 1.00 0.73 O ATOM 1967 CB GLU A 140 15.775 -2.035 -5.973 1.00 1.13 C ATOM 1968 CG GLU A 140 17.124 -1.315 -6.019 1.00 0.93 C ATOM 1969 CD GLU A 140 18.240 -2.336 -6.248 1.00 0.94 C ATOM 1970 OE1 GLU A 140 18.133 -3.100 -7.193 1.00 1.25 O ATOM 1971 OE2 GLU A 140 19.182 -2.338 -5.473 1.00 1.65 O ATOM 0 H GLU A 140 16.060 -2.502 -3.448 1.00 0.80 H new ATOM 0 HA GLU A 140 14.769 -0.352 -5.048 1.00 0.87 H new ATOM 0 HB2 GLU A 140 15.925 -3.097 -5.781 1.00 1.13 H new ATOM 0 HB3 GLU A 140 15.274 -1.953 -6.938 1.00 1.13 H new ATOM 0 HG2 GLU A 140 17.125 -0.574 -6.818 1.00 0.93 H new ATOM 0 HG3 GLU A 140 17.294 -0.778 -5.086 1.00 0.93 H new ATOM 1978 N PHE A 141 12.675 -1.689 -5.780 1.00 0.77 N ATOM 1979 CA PHE A 141 11.320 -2.306 -5.867 1.00 0.75 C ATOM 1980 C PHE A 141 11.047 -2.700 -7.320 1.00 0.72 C ATOM 1981 O PHE A 141 10.746 -1.867 -8.151 1.00 0.73 O ATOM 1982 CB PHE A 141 10.269 -1.296 -5.405 1.00 0.79 C ATOM 1983 CG PHE A 141 8.972 -2.013 -5.113 1.00 0.81 C ATOM 1984 CD1 PHE A 141 8.902 -2.932 -4.060 1.00 1.64 C ATOM 1985 CD2 PHE A 141 7.840 -1.756 -5.895 1.00 1.17 C ATOM 1986 CE1 PHE A 141 7.700 -3.596 -3.790 1.00 1.68 C ATOM 1987 CE2 PHE A 141 6.637 -2.420 -5.625 1.00 1.26 C ATOM 1988 CZ PHE A 141 6.567 -3.340 -4.572 1.00 1.00 C ATOM 0 H PHE A 141 12.856 -0.948 -6.457 1.00 0.77 H new ATOM 0 HA PHE A 141 11.274 -3.189 -5.230 1.00 0.75 H new ATOM 0 HB2 PHE A 141 10.617 -0.776 -4.513 1.00 0.79 H new ATOM 0 HB3 PHE A 141 10.113 -0.540 -6.175 1.00 0.79 H new ATOM 0 HD1 PHE A 141 9.775 -3.129 -3.456 1.00 1.64 H new ATOM 0 HD2 PHE A 141 7.894 -1.046 -6.707 1.00 1.17 H new ATOM 0 HE1 PHE A 141 7.646 -4.306 -2.978 1.00 1.68 H new ATOM 0 HE2 PHE A 141 5.764 -2.222 -6.229 1.00 1.26 H new ATOM 0 HZ PHE A 141 5.639 -3.852 -4.363 1.00 1.00 H new ATOM 1998 N CYS A 142 11.162 -3.962 -7.638 1.00 0.70 N ATOM 1999 CA CYS A 142 10.923 -4.402 -9.041 1.00 0.68 C ATOM 2000 C CYS A 142 9.436 -4.691 -9.260 1.00 0.68 C ATOM 2001 O CYS A 142 8.861 -5.549 -8.624 1.00 0.74 O ATOM 2002 CB CYS A 142 11.737 -5.667 -9.316 1.00 0.68 C ATOM 2003 SG CYS A 142 13.420 -5.208 -9.797 1.00 0.72 S ATOM 0 H CYS A 142 11.411 -4.706 -6.986 1.00 0.70 H new ATOM 0 HA CYS A 142 11.230 -3.609 -9.722 1.00 0.68 H new ATOM 0 HB2 CYS A 142 11.760 -6.298 -8.427 1.00 0.68 H new ATOM 0 HB3 CYS A 142 11.267 -6.250 -10.108 1.00 0.68 H new ATOM 2008 N ILE A 143 8.815 -3.980 -10.162 1.00 0.83 N ATOM 2009 CA ILE A 143 7.370 -4.207 -10.439 1.00 0.89 C ATOM 2010 C ILE A 143 7.150 -4.281 -11.946 1.00 0.92 C ATOM 2011 O ILE A 143 7.791 -3.600 -12.721 1.00 0.91 O ATOM 2012 CB ILE A 143 6.552 -3.062 -9.843 1.00 0.95 C ATOM 2013 CG1 ILE A 143 5.377 -2.712 -10.764 1.00 1.11 C ATOM 2014 CG2 ILE A 143 7.444 -1.831 -9.666 1.00 0.92 C ATOM 2015 CD1 ILE A 143 4.467 -1.700 -10.067 1.00 1.22 C ATOM 0 H ILE A 143 9.251 -3.247 -10.722 1.00 0.83 H new ATOM 0 HA ILE A 143 7.050 -5.145 -9.986 1.00 0.89 H new ATOM 0 HB ILE A 143 6.163 -3.376 -8.874 1.00 0.95 H new ATOM 0 HG12 ILE A 143 5.747 -2.299 -11.702 1.00 1.11 H new ATOM 0 HG13 ILE A 143 4.815 -3.612 -11.012 1.00 1.11 H new ATOM 0 HG21 ILE A 143 6.859 -1.016 -9.241 1.00 0.92 H new ATOM 0 HG22 ILE A 143 8.269 -2.073 -8.996 1.00 0.92 H new ATOM 0 HG23 ILE A 143 7.840 -1.526 -10.635 1.00 0.92 H new ATOM 0 HD11 ILE A 143 3.632 -1.451 -10.721 1.00 1.22 H new ATOM 0 HD12 ILE A 143 4.087 -2.130 -9.141 1.00 1.22 H new ATOM 0 HD13 ILE A 143 5.033 -0.796 -9.842 1.00 1.22 H new ATOM 2027 N SER A 144 6.239 -5.110 -12.354 1.00 1.00 N ATOM 2028 CA SER A 144 5.951 -5.253 -13.807 1.00 1.07 C ATOM 2029 C SER A 144 4.439 -5.308 -14.026 1.00 1.14 C ATOM 2030 O SER A 144 3.962 -5.211 -15.140 1.00 1.33 O ATOM 2031 CB SER A 144 6.588 -6.541 -14.330 1.00 1.17 C ATOM 2032 OG SER A 144 5.949 -7.659 -13.728 1.00 1.28 O ATOM 0 H SER A 144 5.676 -5.700 -11.742 1.00 1.00 H new ATOM 0 HA SER A 144 6.365 -4.399 -14.343 1.00 1.07 H new ATOM 0 HB2 SER A 144 6.492 -6.593 -15.415 1.00 1.17 H new ATOM 0 HB3 SER A 144 7.654 -6.551 -14.103 1.00 1.17 H new ATOM 0 HG SER A 144 6.354 -8.486 -14.062 1.00 1.28 H new ATOM 2038 N GLN A 145 3.677 -5.461 -12.976 1.00 1.08 N ATOM 2039 CA GLN A 145 2.197 -5.522 -13.146 1.00 1.29 C ATOM 2040 C GLN A 145 1.503 -5.106 -11.846 1.00 1.38 C ATOM 2041 O GLN A 145 2.123 -4.990 -10.807 1.00 1.99 O ATOM 2042 CB GLN A 145 1.776 -6.948 -13.511 1.00 1.40 C ATOM 2043 CG GLN A 145 2.988 -7.734 -14.017 1.00 1.94 C ATOM 2044 CD GLN A 145 2.590 -9.196 -14.234 1.00 2.35 C ATOM 2045 OE1 GLN A 145 1.361 -9.567 -14.000 1.00 2.30 O flip ATOM 2046 NE2 GLN A 145 3.407 -10.009 -14.622 1.00 3.30 N flip ATOM 0 H GLN A 145 4.012 -5.546 -12.016 1.00 1.08 H new ATOM 0 HA GLN A 145 1.906 -4.840 -13.945 1.00 1.29 H new ATOM 0 HB2 GLN A 145 1.347 -7.444 -12.640 1.00 1.40 H new ATOM 0 HB3 GLN A 145 1.001 -6.923 -14.278 1.00 1.40 H new ATOM 0 HG2 GLN A 145 3.352 -7.302 -14.949 1.00 1.94 H new ATOM 0 HG3 GLN A 145 3.803 -7.670 -13.296 1.00 1.94 H new ATOM 0 HE21 GLN A 145 4.368 -9.719 -14.805 1.00 3.30 H new ATOM 0 HE22 GLN A 145 3.132 -10.981 -14.764 1.00 3.30 H new ATOM 2055 N VAL A 146 0.218 -4.885 -11.900 1.00 1.54 N ATOM 2056 CA VAL A 146 -0.527 -4.480 -10.675 1.00 1.53 C ATOM 2057 C VAL A 146 -1.970 -4.983 -10.772 1.00 1.48 C ATOM 2058 O VAL A 146 -2.632 -4.801 -11.774 1.00 1.44 O ATOM 2059 CB VAL A 146 -0.526 -2.955 -10.558 1.00 1.59 C ATOM 2060 CG1 VAL A 146 -1.412 -2.357 -11.652 1.00 2.26 C ATOM 2061 CG2 VAL A 146 -1.069 -2.551 -9.186 1.00 2.16 C ATOM 0 H VAL A 146 -0.350 -4.968 -12.743 1.00 1.54 H new ATOM 0 HA VAL A 146 -0.047 -4.911 -9.796 1.00 1.53 H new ATOM 0 HB VAL A 146 0.492 -2.583 -10.672 1.00 1.59 H new ATOM 0 HG11 VAL A 146 -1.411 -1.270 -11.568 1.00 2.26 H new ATOM 0 HG12 VAL A 146 -1.027 -2.646 -12.630 1.00 2.26 H new ATOM 0 HG13 VAL A 146 -2.431 -2.728 -11.539 1.00 2.26 H new ATOM 0 HG21 VAL A 146 -1.069 -1.464 -9.100 1.00 2.16 H new ATOM 0 HG22 VAL A 146 -2.087 -2.924 -9.073 1.00 2.16 H new ATOM 0 HG23 VAL A 146 -0.438 -2.976 -8.405 1.00 2.16 H new ATOM 2071 N SER A 147 -2.463 -5.620 -9.745 1.00 1.63 N ATOM 2072 CA SER A 147 -3.859 -6.133 -9.791 1.00 1.76 C ATOM 2073 C SER A 147 -4.707 -5.414 -8.741 1.00 2.04 C ATOM 2074 O SER A 147 -4.218 -4.997 -7.709 1.00 2.17 O ATOM 2075 CB SER A 147 -3.859 -7.636 -9.506 1.00 2.02 C ATOM 2076 OG SER A 147 -5.165 -8.153 -9.719 1.00 2.76 O ATOM 0 H SER A 147 -1.959 -5.806 -8.878 1.00 1.63 H new ATOM 0 HA SER A 147 -4.279 -5.950 -10.780 1.00 1.76 H new ATOM 0 HB2 SER A 147 -3.145 -8.141 -10.156 1.00 2.02 H new ATOM 0 HB3 SER A 147 -3.544 -7.823 -8.480 1.00 2.02 H new ATOM 0 HG SER A 147 -5.651 -7.569 -10.337 1.00 2.76 H new ATOM 2082 N LEU A 148 -5.979 -5.267 -8.996 1.00 2.31 N ATOM 2083 CA LEU A 148 -6.863 -4.576 -8.015 1.00 2.65 C ATOM 2084 C LEU A 148 -8.313 -5.002 -8.251 1.00 2.54 C ATOM 2085 O LEU A 148 -8.898 -4.706 -9.274 1.00 3.02 O ATOM 2086 CB LEU A 148 -6.735 -3.061 -8.193 1.00 3.24 C ATOM 2087 CG LEU A 148 -8.023 -2.374 -7.730 1.00 3.51 C ATOM 2088 CD1 LEU A 148 -8.387 -2.858 -6.324 1.00 4.57 C ATOM 2089 CD2 LEU A 148 -7.811 -0.859 -7.707 1.00 3.26 C ATOM 0 H LEU A 148 -6.444 -5.596 -9.842 1.00 2.31 H new ATOM 0 HA LEU A 148 -6.567 -4.846 -7.001 1.00 2.65 H new ATOM 0 HB2 LEU A 148 -5.887 -2.688 -7.619 1.00 3.24 H new ATOM 0 HB3 LEU A 148 -6.541 -2.824 -9.239 1.00 3.24 H new ATOM 0 HG LEU A 148 -8.832 -2.620 -8.418 1.00 3.51 H new ATOM 0 HD11 LEU A 148 -9.304 -2.368 -5.996 1.00 4.57 H new ATOM 0 HD12 LEU A 148 -8.538 -3.937 -6.338 1.00 4.57 H new ATOM 0 HD13 LEU A 148 -7.579 -2.614 -5.635 1.00 4.57 H new ATOM 0 HD21 LEU A 148 -8.727 -0.368 -7.378 1.00 3.26 H new ATOM 0 HD22 LEU A 148 -7.001 -0.615 -7.019 1.00 3.26 H new ATOM 0 HD23 LEU A 148 -7.553 -0.512 -8.708 1.00 3.26 H new ATOM 2101 N THR A 149 -8.899 -5.694 -7.313 1.00 2.09 N ATOM 2102 CA THR A 149 -10.311 -6.136 -7.486 1.00 2.24 C ATOM 2103 C THR A 149 -10.879 -6.571 -6.133 1.00 1.93 C ATOM 2104 O THR A 149 -10.417 -6.151 -5.091 1.00 1.84 O ATOM 2105 CB THR A 149 -10.361 -7.315 -8.462 1.00 2.53 C ATOM 2106 OG1 THR A 149 -11.708 -7.727 -8.635 1.00 3.07 O ATOM 2107 CG2 THR A 149 -9.536 -8.477 -7.905 1.00 2.42 C ATOM 0 H THR A 149 -8.461 -5.972 -6.435 1.00 2.09 H new ATOM 0 HA THR A 149 -10.904 -5.311 -7.881 1.00 2.24 H new ATOM 0 HB THR A 149 -9.949 -7.009 -9.423 1.00 2.53 H new ATOM 0 HG1 THR A 149 -11.789 -8.241 -9.465 1.00 3.07 H new ATOM 0 HG21 THR A 149 -9.572 -9.315 -8.601 1.00 2.42 H new ATOM 0 HG22 THR A 149 -8.502 -8.159 -7.774 1.00 2.42 H new ATOM 0 HG23 THR A 149 -9.945 -8.786 -6.943 1.00 2.42 H new ATOM 2115 N THR A 150 -11.878 -7.412 -6.140 1.00 1.92 N ATOM 2116 CA THR A 150 -12.473 -7.871 -4.855 1.00 1.72 C ATOM 2117 C THR A 150 -12.696 -9.383 -4.911 1.00 1.75 C ATOM 2118 O THR A 150 -12.456 -10.095 -3.957 1.00 2.00 O ATOM 2119 CB THR A 150 -13.811 -7.158 -4.631 1.00 1.59 C ATOM 2120 OG1 THR A 150 -14.035 -7.004 -3.237 1.00 1.52 O ATOM 2121 CG2 THR A 150 -14.951 -7.973 -5.245 1.00 1.66 C ATOM 0 H THR A 150 -12.307 -7.800 -6.980 1.00 1.92 H new ATOM 0 HA THR A 150 -11.797 -7.636 -4.033 1.00 1.72 H new ATOM 0 HB THR A 150 -13.778 -6.179 -5.109 1.00 1.59 H new ATOM 0 HG1 THR A 150 -13.299 -7.418 -2.740 1.00 1.52 H new ATOM 0 HG21 THR A 150 -15.897 -7.457 -5.080 1.00 1.66 H new ATOM 0 HG22 THR A 150 -14.782 -8.086 -6.316 1.00 1.66 H new ATOM 0 HG23 THR A 150 -14.988 -8.957 -4.777 1.00 1.66 H new