USER MOD reduce.3.24.130724 H: found=0, std=0, add=1142, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 967 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 93 TYR OH : rot -82:sc= 0.845 USER MOD Set 1.2: A 131 ASN :FLIP amide:sc= -1.96! C(o=-3.6!,f=-1.1!) USER MOD Set 2.1: A 103 MET CE :methyl -133:sc= -0.967 (180deg=-1.82) USER MOD Set 2.2: A 117 MET CE :methyl 177:sc= -0.921 (180deg=-0.957) USER MOD Set 3.1: A 84 LYS NZ :NH3+ 148:sc= 1.25 (180deg=1.08) USER MOD Set 3.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 95 ASN :FLIP amide:sc= 0 F(o=-1.7!,f=1.2) USER MOD Set 4.1: A 88 SER OG : rot 180:sc= 0.0153 USER MOD Set 4.2: A 89 HIS : no HD1:sc= -0.0279 X(o=-0.013,f=-0.4) USER MOD Set 5.1: A 79 TYR OH : rot -84:sc= 2.33 USER MOD Set 5.2: A 106 HIS : no HE2:sc= 1.2 K(o=5.6,f=-3.7!) USER MOD Set 5.3: A 107 CYS SG : rot 69:sc= 2.1 USER MOD Set 6.1: A 77 TYR OH : rot 165:sc= -0.116 USER MOD Set 6.2: A 110 ASN :FLIP amide:sc= 0.711 F(o=-0.066!,f=0.59) USER MOD Set 7.1: A 38 CYS SG : rot 103:sc= 0.366 USER MOD Set 7.2: A 63 LYS NZ :NH3+ -173:sc= 1.18 (180deg=0.302) USER MOD Set 8.1: A 24 CYS SG : rot 75:sc= 1.02 USER MOD Set 8.2: A 116 SER OG : rot -179:sc= 1.31 USER MOD Set 8.3: A 150 TYR OH : rot 180:sc= 0 USER MOD Set 9.1: A 16 TYR OH : rot 90:sc= 1.69 USER MOD Set 9.2: A 133 SER OG : rot 161:sc= 1.22 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 140:sc= 1.2 (180deg=-0.0971) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0.166 USER MOD Single : A 32 HIS : no HD1:sc= -0.862 X(o=-0.86,f=-1.1) USER MOD Single : A 33 CYS SG : rot 96:sc= -1.95! USER MOD Single : A 35 SER OG : rot 27:sc= 1.04 USER MOD Single : A 40 MET CE :methyl 172:sc= -0.843 (180deg=-1.14) USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= -0.114 (180deg=-0.426) USER MOD Single : A 50 LYS NZ :NH3+ 164:sc= -0.0592 (180deg=-0.357) USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= -0.0132 (180deg=-0.107) USER MOD Single : A 56 GLN : amide:sc= -0.0967 X(o=-0.097,f=-0.019) USER MOD Single : A 60 ASN : amide:sc= -0.271 K(o=-0.27,f=-1.3!) USER MOD Single : A 61 GLN : amide:sc= 0.00373 K(o=0.0037,f=-2!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00392) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.247 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc=-0.00129 K(o=-0.0013,f=-0.81) USER MOD Single : A 98 LYS NZ :NH3+ -168:sc= -0.0143 (180deg=-0.155) USER MOD Single : A 99 SER OG : rot 77:sc= 1.19 USER MOD Single : A 104 LYS NZ :NH3+ -178:sc= 2.25 (180deg=2.13) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot 49:sc= -3.97! USER MOD Single : A 128 GLN : amide:sc= -0.0098 K(o=-0.0098,f=-2.7!) USER MOD Single : A 135 MET CE :methyl 174:sc= -0.517 (180deg=-0.625) USER MOD Single : A 143 THR OG1 : rot -60:sc=-0.000395 USER MOD Single : A 146 LYS NZ :NH3+ -164:sc= -0.0305 (180deg=-0.29) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N ARG A 13 -15.008 0.465 -0.104 1.00 24.43 N ATOM 126 CA ARG A 13 -13.785 0.037 0.556 1.00 74.31 C ATOM 127 C ARG A 13 -12.652 -0.081 -0.423 1.00 21.35 C ATOM 128 O ARG A 13 -11.605 0.526 -0.236 1.00 40.42 O ATOM 129 CB ARG A 13 -13.976 -1.278 1.320 1.00 14.22 C ATOM 130 CG ARG A 13 -15.012 -1.241 2.452 1.00 4.44 C ATOM 131 CD ARG A 13 -14.670 -0.229 3.562 1.00 25.32 C ATOM 132 NE ARG A 13 -14.713 1.175 3.109 1.00 63.42 N ATOM 133 CZ ARG A 13 -14.456 2.243 3.866 1.00 2.13 C ATOM 134 NH1 ARG A 13 -14.041 2.090 5.105 1.00 42.44 N ATOM 135 NH2 ARG A 13 -14.570 3.462 3.348 1.00 12.42 N ATOM 0 HA ARG A 13 -13.531 0.807 1.284 1.00 74.31 H new ATOM 0 HB2 ARG A 13 -14.268 -2.051 0.610 1.00 14.22 H new ATOM 0 HB3 ARG A 13 -13.015 -1.577 1.740 1.00 14.22 H new ATOM 0 HG2 ARG A 13 -15.988 -0.994 2.034 1.00 4.44 H new ATOM 0 HG3 ARG A 13 -15.096 -2.235 2.890 1.00 4.44 H new ATOM 0 HD2 ARG A 13 -15.369 -0.358 4.389 1.00 25.32 H new ATOM 0 HD3 ARG A 13 -13.675 -0.448 3.949 1.00 25.32 H new ATOM 0 HE ARG A 13 -14.960 1.343 2.134 1.00 63.42 H new ATOM 0 HH11 ARG A 13 -13.915 1.153 5.489 1.00 42.44 H new ATOM 0 HH12 ARG A 13 -13.845 2.908 5.682 1.00 42.44 H new ATOM 0 HH21 ARG A 13 -14.853 3.578 2.375 1.00 12.42 H new ATOM 0 HH22 ARG A 13 -14.374 4.281 3.924 1.00 12.42 H new ATOM 147 N ILE A 14 -12.859 -0.854 -1.464 1.00 74.42 N ATOM 148 CA ILE A 14 -11.851 -1.040 -2.468 1.00 61.41 C ATOM 149 C ILE A 14 -12.375 -0.660 -3.823 1.00 13.44 C ATOM 150 O ILE A 14 -13.285 -1.284 -4.358 1.00 55.21 O ATOM 151 CB ILE A 14 -11.296 -2.489 -2.517 1.00 54.15 C ATOM 152 CG1 ILE A 14 -10.584 -2.828 -1.216 1.00 64.40 C ATOM 153 CG2 ILE A 14 -10.340 -2.667 -3.702 1.00 53.42 C ATOM 154 CD1 ILE A 14 -10.046 -4.219 -1.178 1.00 73.43 C ATOM 0 H ILE A 14 -13.725 -1.365 -1.633 1.00 74.42 H new ATOM 0 HA ILE A 14 -11.026 -0.385 -2.189 1.00 61.41 H new ATOM 0 HB ILE A 14 -12.137 -3.170 -2.647 1.00 54.15 H new ATOM 0 HG12 ILE A 14 -9.764 -2.125 -1.066 1.00 64.40 H new ATOM 0 HG13 ILE A 14 -11.277 -2.692 -0.386 1.00 64.40 H new ATOM 0 HG21 ILE A 14 -9.964 -3.690 -3.716 1.00 53.42 H new ATOM 0 HG22 ILE A 14 -10.871 -2.463 -4.632 1.00 53.42 H new ATOM 0 HG23 ILE A 14 -9.504 -1.974 -3.602 1.00 53.42 H new ATOM 0 HD11 ILE A 14 -9.551 -4.392 -0.222 1.00 73.43 H new ATOM 0 HD12 ILE A 14 -10.864 -4.929 -1.297 1.00 73.43 H new ATOM 0 HD13 ILE A 14 -9.328 -4.354 -1.987 1.00 73.43 H new ATOM 161 N THR A 15 -11.812 0.359 -4.356 1.00 70.02 N ATOM 162 CA THR A 15 -12.145 0.819 -5.668 1.00 42.15 C ATOM 163 C THR A 15 -11.089 0.325 -6.657 1.00 10.33 C ATOM 164 O THR A 15 -9.898 0.421 -6.391 1.00 63.23 O ATOM 165 CB THR A 15 -12.243 2.365 -5.703 1.00 25.11 C ATOM 166 OG1 THR A 15 -13.314 2.806 -4.843 1.00 72.32 O ATOM 167 CG2 THR A 15 -12.493 2.866 -7.117 1.00 5.41 C ATOM 0 H THR A 15 -11.093 0.913 -3.891 1.00 70.02 H new ATOM 0 HA THR A 15 -13.119 0.419 -5.949 1.00 42.15 H new ATOM 0 HB THR A 15 -11.295 2.773 -5.353 1.00 25.11 H new ATOM 0 HG1 THR A 15 -13.371 3.784 -4.867 1.00 72.32 H new ATOM 0 HG21 THR A 15 -12.557 3.954 -7.111 1.00 5.41 H new ATOM 0 HG22 THR A 15 -11.673 2.554 -7.764 1.00 5.41 H new ATOM 0 HG23 THR A 15 -13.428 2.449 -7.491 1.00 5.41 H new ATOM 173 N TYR A 16 -11.524 -0.224 -7.759 1.00 23.12 N ATOM 174 CA TYR A 16 -10.620 -0.717 -8.774 1.00 61.44 C ATOM 175 C TYR A 16 -10.548 0.259 -9.922 1.00 42.52 C ATOM 176 O TYR A 16 -11.581 0.694 -10.437 1.00 50.24 O ATOM 177 CB TYR A 16 -11.061 -2.095 -9.288 1.00 21.21 C ATOM 178 CG TYR A 16 -10.981 -3.200 -8.262 1.00 1.44 C ATOM 179 CD1 TYR A 16 -12.032 -3.462 -7.398 1.00 50.11 C ATOM 180 CD2 TYR A 16 -9.844 -3.983 -8.162 1.00 21.03 C ATOM 181 CE1 TYR A 16 -11.946 -4.473 -6.462 1.00 12.42 C ATOM 182 CE2 TYR A 16 -9.749 -4.992 -7.234 1.00 74.02 C ATOM 183 CZ TYR A 16 -10.801 -5.234 -6.388 1.00 71.52 C ATOM 184 OH TYR A 16 -10.706 -6.244 -5.460 1.00 74.04 O ATOM 0 H TYR A 16 -12.512 -0.344 -7.982 1.00 23.12 H new ATOM 0 HA TYR A 16 -9.632 -0.820 -8.324 1.00 61.44 H new ATOM 0 HB2 TYR A 16 -12.088 -2.023 -9.647 1.00 21.21 H new ATOM 0 HB3 TYR A 16 -10.442 -2.365 -10.144 1.00 21.21 H new ATOM 0 HD1 TYR A 16 -12.931 -2.867 -7.458 1.00 50.11 H new ATOM 0 HD2 TYR A 16 -9.014 -3.797 -8.827 1.00 21.03 H new ATOM 0 HE1 TYR A 16 -12.771 -4.666 -5.792 1.00 12.42 H new ATOM 0 HE2 TYR A 16 -8.852 -5.590 -7.171 1.00 74.02 H new ATOM 0 HH TYR A 16 -11.040 -7.079 -5.850 1.00 74.04 H new ATOM 194 N VAL A 17 -9.351 0.633 -10.292 1.00 34.45 N ATOM 195 CA VAL A 17 -9.142 1.507 -11.430 1.00 41.20 C ATOM 196 C VAL A 17 -8.108 0.887 -12.313 1.00 53.42 C ATOM 197 O VAL A 17 -7.037 0.503 -11.840 1.00 13.21 O ATOM 198 CB VAL A 17 -8.608 2.907 -11.020 1.00 51.30 C ATOM 199 CG1 VAL A 17 -8.489 3.834 -12.228 1.00 70.41 C ATOM 200 CG2 VAL A 17 -9.447 3.536 -9.946 1.00 24.15 C ATOM 0 H VAL A 17 -8.494 0.345 -9.820 1.00 34.45 H new ATOM 0 HA VAL A 17 -10.105 1.633 -11.925 1.00 41.20 H new ATOM 0 HB VAL A 17 -7.610 2.756 -10.609 1.00 51.30 H new ATOM 0 HG11 VAL A 17 -8.113 4.805 -11.906 1.00 70.41 H new ATOM 0 HG12 VAL A 17 -7.800 3.400 -12.953 1.00 70.41 H new ATOM 0 HG13 VAL A 17 -9.469 3.959 -12.688 1.00 70.41 H new ATOM 0 HG21 VAL A 17 -9.038 4.513 -9.690 1.00 24.15 H new ATOM 0 HG22 VAL A 17 -10.469 3.654 -10.305 1.00 24.15 H new ATOM 0 HG23 VAL A 17 -9.444 2.899 -9.062 1.00 24.15 H new ATOM 206 N LYS A 18 -8.404 0.769 -13.567 1.00 51.11 N ATOM 207 CA LYS A 18 -7.440 0.275 -14.491 1.00 21.20 C ATOM 208 C LYS A 18 -6.606 1.386 -15.030 1.00 55.22 C ATOM 209 O LYS A 18 -6.833 1.905 -16.122 1.00 71.33 O ATOM 210 CB LYS A 18 -8.044 -0.585 -15.571 1.00 3.55 C ATOM 211 CG LYS A 18 -8.610 -1.862 -15.018 1.00 23.11 C ATOM 212 CD LYS A 18 -9.282 -2.711 -16.082 1.00 74.40 C ATOM 213 CE LYS A 18 -8.300 -3.192 -17.152 1.00 74.23 C ATOM 214 NZ LYS A 18 -7.189 -3.996 -16.595 1.00 33.11 N ATOM 0 H LYS A 18 -9.308 1.009 -13.974 1.00 51.11 H new ATOM 0 HA LYS A 18 -6.777 -0.393 -13.941 1.00 21.20 H new ATOM 0 HB2 LYS A 18 -8.831 -0.029 -16.080 1.00 3.55 H new ATOM 0 HB3 LYS A 18 -7.284 -0.818 -16.317 1.00 3.55 H new ATOM 0 HG2 LYS A 18 -7.811 -2.437 -14.551 1.00 23.11 H new ATOM 0 HG3 LYS A 18 -9.332 -1.627 -14.236 1.00 23.11 H new ATOM 0 HD2 LYS A 18 -9.752 -3.574 -15.611 1.00 74.40 H new ATOM 0 HD3 LYS A 18 -10.076 -2.134 -16.555 1.00 74.40 H new ATOM 0 HE2 LYS A 18 -8.838 -3.787 -17.890 1.00 74.23 H new ATOM 0 HE3 LYS A 18 -7.890 -2.329 -17.676 1.00 74.23 H new ATOM 0 HZ1 LYS A 18 -6.984 -4.793 -17.231 1.00 33.11 H new ATOM 0 HZ2 LYS A 18 -6.342 -3.400 -16.503 1.00 33.11 H new ATOM 0 HZ3 LYS A 18 -7.459 -4.361 -15.659 1.00 33.11 H new ATOM 228 N GLY A 19 -5.713 1.803 -14.210 1.00 21.12 N ATOM 229 CA GLY A 19 -4.810 2.859 -14.531 1.00 54.35 C ATOM 230 C GLY A 19 -3.582 2.763 -13.684 1.00 42.12 C ATOM 231 O GLY A 19 -3.517 1.912 -12.796 1.00 3.13 O ATOM 0 H GLY A 19 -5.582 1.415 -13.276 1.00 21.12 H new ATOM 0 HA2 GLY A 19 -4.538 2.807 -15.585 1.00 54.35 H new ATOM 0 HA3 GLY A 19 -5.295 3.822 -14.374 1.00 54.35 H new ATOM 235 N ASP A 20 -2.616 3.619 -13.941 1.00 71.15 N ATOM 236 CA ASP A 20 -1.366 3.617 -13.214 1.00 2.22 C ATOM 237 C ASP A 20 -1.547 4.150 -11.804 1.00 22.23 C ATOM 238 O ASP A 20 -2.233 5.161 -11.582 1.00 23.13 O ATOM 239 CB ASP A 20 -0.310 4.461 -13.934 1.00 45.53 C ATOM 240 CG ASP A 20 0.226 3.852 -15.212 1.00 13.44 C ATOM 241 OD1 ASP A 20 -0.472 3.884 -16.245 1.00 21.40 O ATOM 242 OD2 ASP A 20 1.375 3.357 -15.208 1.00 61.23 O ATOM 0 H ASP A 20 -2.676 4.338 -14.662 1.00 71.15 H new ATOM 0 HA ASP A 20 -1.029 2.582 -13.163 1.00 2.22 H new ATOM 0 HB2 ASP A 20 -0.740 5.436 -14.165 1.00 45.53 H new ATOM 0 HB3 ASP A 20 0.523 4.633 -13.253 1.00 45.53 H new ATOM 247 N LEU A 21 -0.908 3.486 -10.878 1.00 63.32 N ATOM 248 CA LEU A 21 -0.947 3.801 -9.458 1.00 2.32 C ATOM 249 C LEU A 21 -0.290 5.153 -9.152 1.00 2.44 C ATOM 250 O LEU A 21 -0.645 5.832 -8.216 1.00 31.32 O ATOM 251 CB LEU A 21 -0.223 2.678 -8.704 1.00 54.21 C ATOM 252 CG LEU A 21 -0.168 2.770 -7.191 1.00 21.25 C ATOM 253 CD1 LEU A 21 -1.555 2.743 -6.605 1.00 40.15 C ATOM 254 CD2 LEU A 21 0.662 1.643 -6.633 1.00 12.44 C ATOM 0 H LEU A 21 -0.322 2.679 -11.091 1.00 63.32 H new ATOM 0 HA LEU A 21 -1.986 3.876 -9.138 1.00 2.32 H new ATOM 0 HB2 LEU A 21 -0.702 1.734 -8.966 1.00 54.21 H new ATOM 0 HB3 LEU A 21 0.801 2.630 -9.075 1.00 54.21 H new ATOM 0 HG LEU A 21 0.298 3.717 -6.918 1.00 21.25 H new ATOM 0 HD11 LEU A 21 -1.492 2.810 -5.519 1.00 40.15 H new ATOM 0 HD12 LEU A 21 -2.128 3.587 -6.988 1.00 40.15 H new ATOM 0 HD13 LEU A 21 -2.049 1.812 -6.883 1.00 40.15 H new ATOM 0 HD21 LEU A 21 0.695 1.719 -5.546 1.00 12.44 H new ATOM 0 HD22 LEU A 21 0.218 0.689 -6.917 1.00 12.44 H new ATOM 0 HD23 LEU A 21 1.675 1.705 -7.032 1.00 12.44 H new ATOM 262 N PHE A 22 0.664 5.520 -9.948 1.00 74.43 N ATOM 263 CA PHE A 22 1.418 6.751 -9.744 1.00 1.32 C ATOM 264 C PHE A 22 0.686 8.027 -10.187 1.00 2.42 C ATOM 265 O PHE A 22 1.221 9.127 -10.073 1.00 13.05 O ATOM 266 CB PHE A 22 2.834 6.630 -10.301 1.00 60.14 C ATOM 267 CG PHE A 22 3.654 5.635 -9.518 1.00 14.34 C ATOM 268 CD1 PHE A 22 3.471 4.272 -9.687 1.00 25.33 C ATOM 269 CD2 PHE A 22 4.581 6.065 -8.589 1.00 71.30 C ATOM 270 CE1 PHE A 22 4.200 3.366 -8.951 1.00 52.11 C ATOM 271 CE2 PHE A 22 5.311 5.158 -7.848 1.00 34.51 C ATOM 272 CZ PHE A 22 5.120 3.809 -8.031 1.00 34.42 C ATOM 0 H PHE A 22 0.955 4.984 -10.765 1.00 74.43 H new ATOM 0 HA PHE A 22 1.508 6.878 -8.665 1.00 1.32 H new ATOM 0 HB2 PHE A 22 2.790 6.324 -11.346 1.00 60.14 H new ATOM 0 HB3 PHE A 22 3.321 7.605 -10.275 1.00 60.14 H new ATOM 0 HD1 PHE A 22 2.747 3.916 -10.405 1.00 25.33 H new ATOM 0 HD2 PHE A 22 4.736 7.123 -8.441 1.00 71.30 H new ATOM 0 HE1 PHE A 22 4.049 2.307 -9.096 1.00 52.11 H new ATOM 0 HE2 PHE A 22 6.032 5.508 -7.124 1.00 34.51 H new ATOM 0 HZ PHE A 22 5.692 3.098 -7.453 1.00 34.42 H new ATOM 282 N ALA A 23 -0.530 7.878 -10.679 1.00 13.31 N ATOM 283 CA ALA A 23 -1.320 9.022 -11.137 1.00 34.00 C ATOM 284 C ALA A 23 -2.151 9.647 -9.993 1.00 40.03 C ATOM 285 O ALA A 23 -2.887 10.620 -10.211 1.00 51.12 O ATOM 286 CB ALA A 23 -2.225 8.604 -12.285 1.00 13.13 C ATOM 0 H ALA A 23 -0.999 6.977 -10.775 1.00 13.31 H new ATOM 0 HA ALA A 23 -0.625 9.786 -11.486 1.00 34.00 H new ATOM 0 HB1 ALA A 23 -2.809 9.462 -12.619 1.00 13.13 H new ATOM 0 HB2 ALA A 23 -1.618 8.235 -13.111 1.00 13.13 H new ATOM 0 HB3 ALA A 23 -2.898 7.816 -11.949 1.00 13.13 H new ATOM 292 N CYS A 24 -2.014 9.099 -8.793 1.00 20.53 N ATOM 293 CA CYS A 24 -2.760 9.553 -7.609 1.00 11.12 C ATOM 294 C CYS A 24 -2.399 10.995 -7.182 1.00 54.24 C ATOM 295 O CYS A 24 -1.316 11.501 -7.524 1.00 73.13 O ATOM 296 CB CYS A 24 -2.500 8.597 -6.461 1.00 44.40 C ATOM 297 SG CYS A 24 -3.014 6.922 -6.802 1.00 43.22 S ATOM 0 H CYS A 24 -1.381 8.322 -8.604 1.00 20.53 H new ATOM 0 HA CYS A 24 -3.817 9.561 -7.874 1.00 11.12 H new ATOM 0 HB2 CYS A 24 -1.435 8.602 -6.228 1.00 44.40 H new ATOM 0 HB3 CYS A 24 -3.022 8.956 -5.574 1.00 44.40 H new ATOM 0 HG CYS A 24 -2.164 6.363 -7.611 1.00 43.22 H new ATOM 303 N PRO A 25 -3.318 11.680 -6.440 1.00 10.22 N ATOM 304 CA PRO A 25 -3.096 13.052 -5.926 1.00 0.05 C ATOM 305 C PRO A 25 -1.921 13.138 -4.934 1.00 41.42 C ATOM 306 O PRO A 25 -1.383 12.118 -4.495 1.00 64.23 O ATOM 307 CB PRO A 25 -4.408 13.384 -5.201 1.00 60.45 C ATOM 308 CG PRO A 25 -5.409 12.433 -5.749 1.00 73.52 C ATOM 309 CD PRO A 25 -4.656 11.182 -6.063 1.00 54.13 C ATOM 0 HA PRO A 25 -2.842 13.738 -6.734 1.00 0.05 H new ATOM 0 HB2 PRO A 25 -4.302 13.266 -4.123 1.00 60.45 H new ATOM 0 HB3 PRO A 25 -4.707 14.417 -5.381 1.00 60.45 H new ATOM 0 HG2 PRO A 25 -6.202 12.241 -5.026 1.00 73.52 H new ATOM 0 HG3 PRO A 25 -5.884 12.838 -6.643 1.00 73.52 H new ATOM 0 HD2 PRO A 25 -4.609 10.513 -5.203 1.00 54.13 H new ATOM 0 HD3 PRO A 25 -5.122 10.625 -6.876 1.00 54.13 H new ATOM 317 N LYS A 26 -1.564 14.357 -4.561 1.00 22.14 N ATOM 318 CA LYS A 26 -0.406 14.602 -3.705 1.00 30.03 C ATOM 319 C LYS A 26 -0.628 14.175 -2.253 1.00 32.23 C ATOM 320 O LYS A 26 0.313 13.776 -1.574 1.00 22.03 O ATOM 321 CB LYS A 26 0.007 16.080 -3.748 1.00 1.45 C ATOM 322 CG LYS A 26 -1.030 17.058 -3.208 1.00 2.54 C ATOM 323 CD LYS A 26 -0.509 18.485 -3.218 1.00 42.34 C ATOM 324 CE LYS A 26 -1.542 19.444 -2.655 1.00 52.03 C ATOM 325 NZ LYS A 26 -1.059 20.841 -2.626 1.00 35.30 N ATOM 0 H LYS A 26 -2.063 15.202 -4.839 1.00 22.14 H new ATOM 0 HA LYS A 26 0.396 13.983 -4.107 1.00 30.03 H new ATOM 0 HB2 LYS A 26 0.928 16.200 -3.178 1.00 1.45 H new ATOM 0 HB3 LYS A 26 0.233 16.348 -4.780 1.00 1.45 H new ATOM 0 HG2 LYS A 26 -1.937 16.997 -3.809 1.00 2.54 H new ATOM 0 HG3 LYS A 26 -1.302 16.776 -2.191 1.00 2.54 H new ATOM 0 HD2 LYS A 26 0.407 18.546 -2.631 1.00 42.34 H new ATOM 0 HD3 LYS A 26 -0.254 18.776 -4.237 1.00 42.34 H new ATOM 0 HE2 LYS A 26 -2.450 19.389 -3.256 1.00 52.03 H new ATOM 0 HE3 LYS A 26 -1.809 19.134 -1.645 1.00 52.03 H new ATOM 0 HZ1 LYS A 26 -1.800 21.456 -2.234 1.00 35.30 H new ATOM 0 HZ2 LYS A 26 -0.208 20.902 -2.032 1.00 35.30 H new ATOM 0 HZ3 LYS A 26 -0.829 21.149 -3.592 1.00 35.30 H new ATOM 339 N THR A 27 -1.853 14.270 -1.795 1.00 32.31 N ATOM 340 CA THR A 27 -2.187 13.962 -0.406 1.00 11.41 C ATOM 341 C THR A 27 -2.301 12.442 -0.194 1.00 54.40 C ATOM 342 O THR A 27 -2.007 11.920 0.897 1.00 33.40 O ATOM 343 CB THR A 27 -3.524 14.632 -0.038 1.00 32.50 C ATOM 344 OG1 THR A 27 -3.472 16.025 -0.421 1.00 23.43 O ATOM 345 CG2 THR A 27 -3.776 14.548 1.457 1.00 2.33 C ATOM 0 H THR A 27 -2.649 14.560 -2.363 1.00 32.31 H new ATOM 0 HA THR A 27 -1.391 14.343 0.234 1.00 11.41 H new ATOM 0 HB THR A 27 -4.329 14.116 -0.562 1.00 32.50 H new ATOM 0 HG1 THR A 27 -4.320 16.459 -0.192 1.00 23.43 H new ATOM 0 HG21 THR A 27 -4.726 15.028 1.693 1.00 2.33 H new ATOM 0 HG22 THR A 27 -3.812 13.502 1.762 1.00 2.33 H new ATOM 0 HG23 THR A 27 -2.971 15.054 1.991 1.00 2.33 H new ATOM 351 N ASP A 28 -2.704 11.762 -1.251 1.00 0.45 N ATOM 352 CA ASP A 28 -2.901 10.309 -1.271 1.00 13.13 C ATOM 353 C ASP A 28 -1.608 9.575 -0.911 1.00 70.11 C ATOM 354 O ASP A 28 -0.530 10.080 -1.137 1.00 51.43 O ATOM 355 CB ASP A 28 -3.369 9.911 -2.674 1.00 15.13 C ATOM 356 CG ASP A 28 -3.512 8.431 -2.877 1.00 61.22 C ATOM 357 OD1 ASP A 28 -2.517 7.786 -3.234 1.00 60.31 O ATOM 358 OD2 ASP A 28 -4.632 7.904 -2.730 1.00 61.32 O ATOM 0 H ASP A 28 -2.911 12.207 -2.145 1.00 0.45 H new ATOM 0 HA ASP A 28 -3.650 10.030 -0.530 1.00 13.13 H new ATOM 0 HB2 ASP A 28 -4.328 10.388 -2.874 1.00 15.13 H new ATOM 0 HB3 ASP A 28 -2.661 10.300 -3.405 1.00 15.13 H new ATOM 363 N SER A 29 -1.711 8.402 -0.345 1.00 70.43 N ATOM 364 CA SER A 29 -0.532 7.654 0.018 1.00 11.23 C ATOM 365 C SER A 29 -0.472 6.296 -0.704 1.00 14.33 C ATOM 366 O SER A 29 -1.490 5.624 -0.875 1.00 51.45 O ATOM 367 CB SER A 29 -0.476 7.490 1.528 1.00 52.20 C ATOM 368 OG SER A 29 -0.422 8.765 2.157 1.00 1.24 O ATOM 0 H SER A 29 -2.595 7.943 -0.125 1.00 70.43 H new ATOM 0 HA SER A 29 0.346 8.213 -0.305 1.00 11.23 H new ATOM 0 HB2 SER A 29 -1.352 6.942 1.875 1.00 52.20 H new ATOM 0 HB3 SER A 29 0.399 6.902 1.805 1.00 52.20 H new ATOM 0 HG SER A 29 -0.388 8.649 3.129 1.00 1.24 H new ATOM 374 N LEU A 30 0.732 5.912 -1.112 1.00 22.41 N ATOM 375 CA LEU A 30 0.970 4.672 -1.848 1.00 22.41 C ATOM 376 C LEU A 30 1.348 3.562 -0.885 1.00 33.05 C ATOM 377 O LEU A 30 2.184 3.756 -0.019 1.00 25.54 O ATOM 378 CB LEU A 30 2.127 4.866 -2.845 1.00 53.44 C ATOM 379 CG LEU A 30 1.911 5.883 -3.971 1.00 13.41 C ATOM 380 CD1 LEU A 30 3.239 6.272 -4.606 1.00 2.22 C ATOM 381 CD2 LEU A 30 1.062 5.254 -5.029 1.00 60.41 C ATOM 0 H LEU A 30 1.578 6.455 -0.941 1.00 22.41 H new ATOM 0 HA LEU A 30 0.058 4.407 -2.382 1.00 22.41 H new ATOM 0 HB2 LEU A 30 3.012 5.165 -2.283 1.00 53.44 H new ATOM 0 HB3 LEU A 30 2.349 3.900 -3.299 1.00 53.44 H new ATOM 0 HG LEU A 30 1.434 6.770 -3.554 1.00 13.41 H new ATOM 0 HD11 LEU A 30 3.063 6.995 -5.403 1.00 2.22 H new ATOM 0 HD12 LEU A 30 3.888 6.715 -3.850 1.00 2.22 H new ATOM 0 HD13 LEU A 30 3.718 5.385 -5.020 1.00 2.22 H new ATOM 0 HD21 LEU A 30 0.900 5.967 -5.837 1.00 60.41 H new ATOM 0 HD22 LEU A 30 1.565 4.370 -5.421 1.00 60.41 H new ATOM 0 HD23 LEU A 30 0.102 4.966 -4.601 1.00 60.41 H new ATOM 389 N ALA A 31 0.750 2.417 -1.036 1.00 42.11 N ATOM 390 CA ALA A 31 1.056 1.285 -0.196 1.00 74.43 C ATOM 391 C ALA A 31 1.285 0.055 -1.032 1.00 43.30 C ATOM 392 O ALA A 31 0.791 -0.039 -2.151 1.00 52.12 O ATOM 393 CB ALA A 31 -0.063 1.036 0.788 1.00 5.55 C ATOM 0 H ALA A 31 0.037 2.236 -1.742 1.00 42.11 H new ATOM 0 HA ALA A 31 1.967 1.510 0.358 1.00 74.43 H new ATOM 0 HB1 ALA A 31 0.186 0.178 1.413 1.00 5.55 H new ATOM 0 HB2 ALA A 31 -0.197 1.916 1.417 1.00 5.55 H new ATOM 0 HB3 ALA A 31 -0.986 0.834 0.245 1.00 5.55 H new ATOM 399 N HIS A 32 2.069 -0.862 -0.510 1.00 42.52 N ATOM 400 CA HIS A 32 2.332 -2.140 -1.148 1.00 61.00 C ATOM 401 C HIS A 32 3.068 -3.033 -0.194 1.00 14.14 C ATOM 402 O HIS A 32 3.665 -2.553 0.767 1.00 21.22 O ATOM 403 CB HIS A 32 3.116 -1.996 -2.478 1.00 71.20 C ATOM 404 CG HIS A 32 4.451 -1.324 -2.362 1.00 5.22 C ATOM 405 ND1 HIS A 32 5.654 -1.987 -2.510 1.00 73.21 N ATOM 406 CD2 HIS A 32 4.767 -0.022 -2.178 1.00 10.20 C ATOM 407 CE1 HIS A 32 6.632 -1.130 -2.427 1.00 53.45 C ATOM 408 NE2 HIS A 32 6.127 0.070 -2.225 1.00 61.52 N ATOM 0 H HIS A 32 2.550 -0.743 0.382 1.00 42.52 H new ATOM 0 HA HIS A 32 1.371 -2.585 -1.405 1.00 61.00 H new ATOM 0 HB2 HIS A 32 3.262 -2.988 -2.904 1.00 71.20 H new ATOM 0 HB3 HIS A 32 2.504 -1.433 -3.183 1.00 71.20 H new ATOM 0 HD2 HIS A 32 4.073 0.791 -2.023 1.00 10.20 H new ATOM 0 HE1 HIS A 32 7.683 -1.365 -2.510 1.00 53.45 H new ATOM 0 HE2 HIS A 32 6.666 0.929 -2.121 1.00 61.52 H new ATOM 417 N CYS A 33 3.042 -4.301 -0.446 1.00 63.04 N ATOM 418 CA CYS A 33 3.721 -5.236 0.392 1.00 53.43 C ATOM 419 C CYS A 33 5.039 -5.615 -0.229 1.00 11.04 C ATOM 420 O CYS A 33 5.214 -5.497 -1.457 1.00 74.42 O ATOM 421 CB CYS A 33 2.855 -6.475 0.612 1.00 61.34 C ATOM 422 SG CYS A 33 2.374 -7.311 -0.910 1.00 42.44 S ATOM 0 H CYS A 33 2.551 -4.718 -1.237 1.00 63.04 H new ATOM 0 HA CYS A 33 3.910 -4.774 1.361 1.00 53.43 H new ATOM 0 HB2 CYS A 33 3.398 -7.177 1.245 1.00 61.34 H new ATOM 0 HB3 CYS A 33 1.956 -6.186 1.156 1.00 61.34 H new ATOM 0 HG CYS A 33 3.192 -8.294 -1.142 1.00 42.44 H new ATOM 428 N ILE A 34 5.970 -5.982 0.612 1.00 53.31 N ATOM 429 CA ILE A 34 7.260 -6.485 0.220 1.00 75.11 C ATOM 430 C ILE A 34 7.737 -7.432 1.295 1.00 24.34 C ATOM 431 O ILE A 34 7.134 -7.534 2.361 1.00 44.42 O ATOM 432 CB ILE A 34 8.361 -5.387 0.048 1.00 4.43 C ATOM 433 CG1 ILE A 34 8.562 -4.594 1.340 1.00 11.24 C ATOM 434 CG2 ILE A 34 8.075 -4.455 -1.127 1.00 62.24 C ATOM 435 CD1 ILE A 34 9.728 -3.650 1.275 1.00 71.42 C ATOM 0 H ILE A 34 5.846 -5.937 1.624 1.00 53.31 H new ATOM 0 HA ILE A 34 7.123 -6.957 -0.753 1.00 75.11 H new ATOM 0 HB ILE A 34 9.290 -5.910 -0.179 1.00 4.43 H new ATOM 0 HG12 ILE A 34 7.656 -4.029 1.557 1.00 11.24 H new ATOM 0 HG13 ILE A 34 8.710 -5.289 2.167 1.00 11.24 H new ATOM 0 HG21 ILE A 34 8.868 -3.711 -1.203 1.00 62.24 H new ATOM 0 HG22 ILE A 34 8.031 -5.035 -2.049 1.00 62.24 H new ATOM 0 HG23 ILE A 34 7.121 -3.952 -0.969 1.00 62.24 H new ATOM 0 HD11 ILE A 34 9.818 -3.117 2.222 1.00 71.42 H new ATOM 0 HD12 ILE A 34 10.642 -4.213 1.088 1.00 71.42 H new ATOM 0 HD13 ILE A 34 9.572 -2.933 0.469 1.00 71.42 H new ATOM 442 N SER A 35 8.809 -8.091 1.034 1.00 72.13 N ATOM 443 CA SER A 35 9.411 -8.947 1.997 1.00 13.20 C ATOM 444 C SER A 35 10.446 -8.103 2.806 1.00 2.33 C ATOM 445 O SER A 35 10.908 -7.052 2.320 1.00 13.11 O ATOM 446 CB SER A 35 10.110 -10.087 1.252 1.00 32.34 C ATOM 447 OG SER A 35 10.768 -10.954 2.133 1.00 22.41 O ATOM 0 H SER A 35 9.298 -8.052 0.140 1.00 72.13 H new ATOM 0 HA SER A 35 8.674 -9.368 2.681 1.00 13.20 H new ATOM 0 HB2 SER A 35 9.376 -10.646 0.671 1.00 32.34 H new ATOM 0 HB3 SER A 35 10.828 -9.673 0.544 1.00 32.34 H new ATOM 0 HG SER A 35 10.322 -10.935 3.005 1.00 22.41 H new ATOM 453 N GLU A 36 10.811 -8.565 4.012 1.00 32.53 N ATOM 454 CA GLU A 36 11.766 -7.857 4.900 1.00 20.35 C ATOM 455 C GLU A 36 13.128 -7.771 4.197 1.00 3.12 C ATOM 456 O GLU A 36 13.822 -6.767 4.281 1.00 45.12 O ATOM 457 CB GLU A 36 11.904 -8.649 6.227 1.00 52.45 C ATOM 458 CG GLU A 36 12.449 -7.886 7.458 1.00 12.41 C ATOM 459 CD GLU A 36 13.839 -7.307 7.309 1.00 13.11 C ATOM 460 OE1 GLU A 36 14.833 -8.035 7.477 1.00 1.45 O ATOM 461 OE2 GLU A 36 13.951 -6.106 7.028 1.00 71.34 O ATOM 0 H GLU A 36 10.457 -9.437 4.405 1.00 32.53 H new ATOM 0 HA GLU A 36 11.407 -6.851 5.117 1.00 20.35 H new ATOM 0 HB2 GLU A 36 10.923 -9.048 6.485 1.00 52.45 H new ATOM 0 HB3 GLU A 36 12.557 -9.503 6.044 1.00 52.45 H new ATOM 0 HG2 GLU A 36 11.761 -7.074 7.693 1.00 12.41 H new ATOM 0 HG3 GLU A 36 12.447 -8.563 8.312 1.00 12.41 H new ATOM 468 N ASP A 37 13.435 -8.796 3.426 1.00 71.13 N ATOM 469 CA ASP A 37 14.720 -8.945 2.714 1.00 34.31 C ATOM 470 C ASP A 37 14.835 -7.928 1.572 1.00 33.00 C ATOM 471 O ASP A 37 15.875 -7.816 0.920 1.00 4.45 O ATOM 472 CB ASP A 37 14.782 -10.379 2.159 1.00 4.15 C ATOM 473 CG ASP A 37 16.062 -10.757 1.452 1.00 0.33 C ATOM 474 OD1 ASP A 37 17.025 -11.190 2.125 1.00 13.15 O ATOM 475 OD2 ASP A 37 16.106 -10.682 0.211 1.00 31.02 O ATOM 0 H ASP A 37 12.794 -9.573 3.264 1.00 71.13 H new ATOM 0 HA ASP A 37 15.549 -8.761 3.398 1.00 34.31 H new ATOM 0 HB2 ASP A 37 14.626 -11.074 2.984 1.00 4.15 H new ATOM 0 HB3 ASP A 37 13.952 -10.516 1.465 1.00 4.15 H new ATOM 480 N CYS A 38 13.760 -7.170 1.372 1.00 73.24 N ATOM 481 CA CYS A 38 13.682 -6.151 0.357 1.00 14.44 C ATOM 482 C CYS A 38 13.892 -6.709 -1.037 1.00 12.14 C ATOM 483 O CYS A 38 14.970 -6.640 -1.620 1.00 12.43 O ATOM 484 CB CYS A 38 14.578 -4.942 0.677 1.00 61.00 C ATOM 485 SG CYS A 38 14.079 -4.056 2.182 1.00 74.12 S ATOM 0 H CYS A 38 12.909 -7.257 1.927 1.00 73.24 H new ATOM 0 HA CYS A 38 12.661 -5.769 0.366 1.00 14.44 H new ATOM 0 HB2 CYS A 38 15.608 -5.281 0.788 1.00 61.00 H new ATOM 0 HB3 CYS A 38 14.559 -4.251 -0.166 1.00 61.00 H new ATOM 0 HG CYS A 38 14.881 -4.370 3.156 1.00 74.12 H new ATOM 491 N ARG A 39 12.845 -7.296 -1.539 1.00 45.54 N ATOM 492 CA ARG A 39 12.842 -7.935 -2.832 1.00 64.24 C ATOM 493 C ARG A 39 12.277 -7.006 -3.892 1.00 22.12 C ATOM 494 O ARG A 39 11.698 -7.460 -4.872 1.00 64.44 O ATOM 495 CB ARG A 39 11.997 -9.210 -2.765 1.00 43.15 C ATOM 496 CG ARG A 39 12.541 -10.346 -1.885 1.00 11.04 C ATOM 497 CD ARG A 39 13.872 -10.913 -2.397 1.00 74.31 C ATOM 498 NE ARG A 39 15.029 -10.039 -2.152 1.00 42.40 N ATOM 499 CZ ARG A 39 15.860 -9.564 -3.083 1.00 4.11 C ATOM 500 NH1 ARG A 39 15.604 -9.753 -4.374 1.00 23.41 N ATOM 501 NH2 ARG A 39 16.944 -8.895 -2.715 1.00 73.12 N ATOM 0 H ARG A 39 11.949 -7.348 -1.055 1.00 45.54 H new ATOM 0 HA ARG A 39 13.869 -8.182 -3.102 1.00 64.24 H new ATOM 0 HB2 ARG A 39 11.004 -8.943 -2.403 1.00 43.15 H new ATOM 0 HB3 ARG A 39 11.874 -9.592 -3.778 1.00 43.15 H new ATOM 0 HG2 ARG A 39 12.676 -9.978 -0.868 1.00 11.04 H new ATOM 0 HG3 ARG A 39 11.804 -11.148 -1.839 1.00 11.04 H new ATOM 0 HD2 ARG A 39 14.051 -11.877 -1.921 1.00 74.31 H new ATOM 0 HD3 ARG A 39 13.789 -11.096 -3.468 1.00 74.31 H new ATOM 0 HE ARG A 39 15.213 -9.772 -1.185 1.00 42.40 H new ATOM 0 HH11 ARG A 39 14.768 -10.264 -4.659 1.00 23.41 H new ATOM 0 HH12 ARG A 39 16.243 -9.387 -5.080 1.00 23.41 H new ATOM 0 HH21 ARG A 39 17.140 -8.746 -1.725 1.00 73.12 H new ATOM 0 HH22 ARG A 39 17.582 -8.530 -3.422 1.00 73.12 H new ATOM 513 N MET A 40 12.514 -5.704 -3.739 1.00 25.34 N ATOM 514 CA MET A 40 11.984 -4.711 -4.680 1.00 50.42 C ATOM 515 C MET A 40 12.760 -4.678 -5.992 1.00 3.24 C ATOM 516 O MET A 40 12.622 -3.754 -6.771 1.00 75.41 O ATOM 517 CB MET A 40 11.893 -3.291 -4.092 1.00 55.43 C ATOM 518 CG MET A 40 11.089 -3.174 -2.811 1.00 13.55 C ATOM 519 SD MET A 40 12.056 -3.545 -1.348 1.00 54.33 S ATOM 520 CE MET A 40 13.146 -2.123 -1.366 1.00 33.43 C ATOM 0 H MET A 40 13.067 -5.311 -2.977 1.00 25.34 H new ATOM 0 HA MET A 40 10.967 -5.046 -4.884 1.00 50.42 H new ATOM 0 HB2 MET A 40 12.903 -2.928 -3.903 1.00 55.43 H new ATOM 0 HB3 MET A 40 11.452 -2.632 -4.840 1.00 55.43 H new ATOM 0 HG2 MET A 40 10.689 -2.163 -2.730 1.00 13.55 H new ATOM 0 HG3 MET A 40 10.237 -3.852 -2.859 1.00 13.55 H new ATOM 0 HE1 MET A 40 13.732 -2.102 -0.447 1.00 33.43 H new ATOM 0 HE2 MET A 40 13.817 -2.189 -2.223 1.00 33.43 H new ATOM 0 HE3 MET A 40 12.553 -1.211 -1.439 1.00 33.43 H new ATOM 530 N GLY A 41 13.566 -5.687 -6.225 1.00 41.22 N ATOM 531 CA GLY A 41 14.282 -5.796 -7.466 1.00 24.51 C ATOM 532 C GLY A 41 13.458 -6.526 -8.517 1.00 53.25 C ATOM 533 O GLY A 41 13.952 -6.825 -9.610 1.00 44.14 O ATOM 0 H GLY A 41 13.740 -6.445 -5.566 1.00 41.22 H new ATOM 0 HA2 GLY A 41 14.539 -4.801 -7.829 1.00 24.51 H new ATOM 0 HA3 GLY A 41 15.220 -6.327 -7.302 1.00 24.51 H new ATOM 537 N ALA A 42 12.206 -6.810 -8.178 1.00 31.05 N ATOM 538 CA ALA A 42 11.277 -7.470 -9.071 1.00 64.21 C ATOM 539 C ALA A 42 9.861 -6.936 -8.837 1.00 3.53 C ATOM 540 O ALA A 42 9.521 -6.518 -7.718 1.00 63.03 O ATOM 541 CB ALA A 42 11.317 -8.978 -8.858 1.00 74.43 C ATOM 0 H ALA A 42 11.809 -6.584 -7.266 1.00 31.05 H new ATOM 0 HA ALA A 42 11.568 -7.260 -10.100 1.00 64.21 H new ATOM 0 HB1 ALA A 42 10.613 -9.460 -9.537 1.00 74.43 H new ATOM 0 HB2 ALA A 42 12.323 -9.347 -9.057 1.00 74.43 H new ATOM 0 HB3 ALA A 42 11.043 -9.207 -7.828 1.00 74.43 H new ATOM 547 N GLY A 43 9.059 -6.927 -9.886 1.00 54.23 N ATOM 548 CA GLY A 43 7.685 -6.481 -9.791 1.00 63.23 C ATOM 549 C GLY A 43 7.547 -4.966 -9.810 1.00 61.41 C ATOM 550 O GLY A 43 8.476 -4.244 -10.176 1.00 12.23 O ATOM 0 H GLY A 43 9.340 -7.226 -10.820 1.00 54.23 H new ATOM 0 HA2 GLY A 43 7.114 -6.902 -10.619 1.00 63.23 H new ATOM 0 HA3 GLY A 43 7.246 -6.868 -8.872 1.00 63.23 H new ATOM 554 N ILE A 44 6.382 -4.486 -9.405 1.00 1.31 N ATOM 555 CA ILE A 44 6.092 -3.047 -9.339 1.00 61.20 C ATOM 556 C ILE A 44 6.920 -2.381 -8.228 1.00 3.45 C ATOM 557 O ILE A 44 7.116 -1.165 -8.211 1.00 10.43 O ATOM 558 CB ILE A 44 4.558 -2.772 -9.121 1.00 75.02 C ATOM 559 CG1 ILE A 44 4.266 -1.255 -9.060 1.00 11.14 C ATOM 560 CG2 ILE A 44 4.035 -3.487 -7.873 1.00 53.11 C ATOM 561 CD1 ILE A 44 2.814 -0.905 -8.819 1.00 0.43 C ATOM 0 H ILE A 44 5.604 -5.077 -9.111 1.00 1.31 H new ATOM 0 HA ILE A 44 6.373 -2.611 -10.298 1.00 61.20 H new ATOM 0 HB ILE A 44 4.025 -3.179 -9.980 1.00 75.02 H new ATOM 0 HG12 ILE A 44 4.870 -0.813 -8.267 1.00 11.14 H new ATOM 0 HG13 ILE A 44 4.586 -0.798 -9.996 1.00 11.14 H new ATOM 0 HG21 ILE A 44 2.973 -3.276 -7.751 1.00 53.11 H new ATOM 0 HG22 ILE A 44 4.182 -4.562 -7.981 1.00 53.11 H new ATOM 0 HG23 ILE A 44 4.578 -3.133 -6.997 1.00 53.11 H new ATOM 0 HD11 ILE A 44 2.701 0.179 -8.791 1.00 0.43 H new ATOM 0 HD12 ILE A 44 2.203 -1.313 -9.624 1.00 0.43 H new ATOM 0 HD13 ILE A 44 2.491 -1.328 -7.868 1.00 0.43 H new ATOM 568 N ALA A 45 7.424 -3.194 -7.316 1.00 62.25 N ATOM 569 CA ALA A 45 8.213 -2.708 -6.209 1.00 31.22 C ATOM 570 C ALA A 45 9.476 -1.982 -6.695 1.00 40.42 C ATOM 571 O ALA A 45 9.957 -1.074 -6.026 1.00 51.40 O ATOM 572 CB ALA A 45 8.548 -3.838 -5.255 1.00 53.34 C ATOM 0 H ALA A 45 7.296 -4.206 -7.326 1.00 62.25 H new ATOM 0 HA ALA A 45 7.616 -1.977 -5.664 1.00 31.22 H new ATOM 0 HB1 ALA A 45 9.143 -3.451 -4.428 1.00 53.34 H new ATOM 0 HB2 ALA A 45 7.626 -4.272 -4.867 1.00 53.34 H new ATOM 0 HB3 ALA A 45 9.116 -4.604 -5.783 1.00 53.34 H new ATOM 578 N VAL A 46 9.970 -2.371 -7.883 1.00 13.25 N ATOM 579 CA VAL A 46 11.150 -1.742 -8.519 1.00 72.12 C ATOM 580 C VAL A 46 10.885 -0.263 -8.762 1.00 14.30 C ATOM 581 O VAL A 46 11.760 0.582 -8.582 1.00 52.41 O ATOM 582 CB VAL A 46 11.447 -2.384 -9.909 1.00 3.34 C ATOM 583 CG1 VAL A 46 12.674 -1.769 -10.557 1.00 50.21 C ATOM 584 CG2 VAL A 46 11.600 -3.881 -9.809 1.00 71.11 C ATOM 0 H VAL A 46 9.566 -3.129 -8.432 1.00 13.25 H new ATOM 0 HA VAL A 46 11.995 -1.888 -7.846 1.00 72.12 H new ATOM 0 HB VAL A 46 10.586 -2.174 -10.544 1.00 3.34 H new ATOM 0 HG11 VAL A 46 12.850 -2.241 -11.524 1.00 50.21 H new ATOM 0 HG12 VAL A 46 12.513 -0.700 -10.699 1.00 50.21 H new ATOM 0 HG13 VAL A 46 13.541 -1.923 -9.914 1.00 50.21 H new ATOM 0 HG21 VAL A 46 11.806 -4.292 -10.797 1.00 71.11 H new ATOM 0 HG22 VAL A 46 12.425 -4.118 -9.138 1.00 71.11 H new ATOM 0 HG23 VAL A 46 10.679 -4.316 -9.420 1.00 71.11 H new ATOM 590 N LEU A 47 9.665 0.033 -9.134 1.00 73.35 N ATOM 591 CA LEU A 47 9.258 1.319 -9.504 1.00 3.54 C ATOM 592 C LEU A 47 9.226 2.258 -8.284 1.00 32.32 C ATOM 593 O LEU A 47 9.573 3.432 -8.388 1.00 40.13 O ATOM 594 CB LEU A 47 7.924 1.150 -10.209 1.00 3.34 C ATOM 595 CG LEU A 47 7.202 2.368 -10.663 1.00 50.02 C ATOM 596 CD1 LEU A 47 8.089 3.242 -11.546 1.00 24.31 C ATOM 597 CD2 LEU A 47 5.942 1.965 -11.409 1.00 12.02 C ATOM 0 H LEU A 47 8.917 -0.659 -9.181 1.00 73.35 H new ATOM 0 HA LEU A 47 9.958 1.803 -10.185 1.00 3.54 H new ATOM 0 HB2 LEU A 47 8.088 0.517 -11.081 1.00 3.34 H new ATOM 0 HB3 LEU A 47 7.262 0.603 -9.538 1.00 3.34 H new ATOM 0 HG LEU A 47 6.930 2.955 -9.786 1.00 50.02 H new ATOM 0 HD11 LEU A 47 7.532 4.124 -11.861 1.00 24.31 H new ATOM 0 HD12 LEU A 47 8.970 3.551 -10.984 1.00 24.31 H new ATOM 0 HD13 LEU A 47 8.399 2.676 -12.424 1.00 24.31 H new ATOM 0 HD21 LEU A 47 5.414 2.859 -11.741 1.00 12.02 H new ATOM 0 HD22 LEU A 47 6.210 1.359 -12.275 1.00 12.02 H new ATOM 0 HD23 LEU A 47 5.297 1.387 -10.747 1.00 12.02 H new ATOM 605 N PHE A 48 8.851 1.725 -7.129 1.00 63.45 N ATOM 606 CA PHE A 48 8.915 2.495 -5.882 1.00 33.11 C ATOM 607 C PHE A 48 10.370 2.599 -5.422 1.00 45.13 C ATOM 608 O PHE A 48 10.823 3.643 -4.949 1.00 13.32 O ATOM 609 CB PHE A 48 8.081 1.846 -4.771 1.00 1.23 C ATOM 610 CG PHE A 48 6.588 1.860 -4.969 1.00 50.54 C ATOM 611 CD1 PHE A 48 5.942 0.837 -5.645 1.00 50.24 C ATOM 612 CD2 PHE A 48 5.819 2.888 -4.440 1.00 53.30 C ATOM 613 CE1 PHE A 48 4.568 0.850 -5.783 1.00 70.31 C ATOM 614 CE2 PHE A 48 4.471 2.899 -4.581 1.00 53.31 C ATOM 615 CZ PHE A 48 3.838 1.893 -5.242 1.00 44.25 C ATOM 0 H PHE A 48 8.502 0.772 -7.023 1.00 63.45 H new ATOM 0 HA PHE A 48 8.506 3.486 -6.079 1.00 33.11 H new ATOM 0 HB2 PHE A 48 8.403 0.810 -4.661 1.00 1.23 H new ATOM 0 HB3 PHE A 48 8.307 2.352 -3.832 1.00 1.23 H new ATOM 0 HD1 PHE A 48 6.516 0.025 -6.066 1.00 50.24 H new ATOM 0 HD2 PHE A 48 6.303 3.693 -3.907 1.00 53.30 H new ATOM 0 HE1 PHE A 48 4.067 0.051 -6.310 1.00 70.31 H new ATOM 0 HE2 PHE A 48 3.895 3.713 -4.165 1.00 53.31 H new ATOM 0 HZ PHE A 48 2.763 1.908 -5.345 1.00 44.25 H new ATOM 625 N LYS A 49 11.081 1.495 -5.581 1.00 13.33 N ATOM 626 CA LYS A 49 12.482 1.356 -5.237 1.00 11.11 C ATOM 627 C LYS A 49 13.330 2.422 -5.963 1.00 70.43 C ATOM 628 O LYS A 49 14.151 3.088 -5.339 1.00 13.44 O ATOM 629 CB LYS A 49 12.868 -0.123 -5.557 1.00 43.41 C ATOM 630 CG LYS A 49 14.296 -0.615 -5.328 1.00 2.21 C ATOM 631 CD LYS A 49 15.240 -0.204 -6.431 1.00 64.11 C ATOM 632 CE LYS A 49 16.595 -0.864 -6.275 1.00 42.34 C ATOM 633 NZ LYS A 49 16.519 -2.348 -6.350 1.00 70.40 N ATOM 0 H LYS A 49 10.681 0.640 -5.968 1.00 13.33 H new ATOM 0 HA LYS A 49 12.679 1.542 -4.181 1.00 11.11 H new ATOM 0 HB2 LYS A 49 12.209 -0.762 -4.970 1.00 43.41 H new ATOM 0 HB3 LYS A 49 12.631 -0.298 -6.606 1.00 43.41 H new ATOM 0 HG2 LYS A 49 14.662 -0.225 -4.378 1.00 2.21 H new ATOM 0 HG3 LYS A 49 14.292 -1.702 -5.245 1.00 2.21 H new ATOM 0 HD2 LYS A 49 14.812 -0.473 -7.397 1.00 64.11 H new ATOM 0 HD3 LYS A 49 15.359 0.879 -6.425 1.00 64.11 H new ATOM 0 HE2 LYS A 49 17.265 -0.498 -7.053 1.00 42.34 H new ATOM 0 HE3 LYS A 49 17.029 -0.574 -5.318 1.00 42.34 H new ATOM 0 HZ1 LYS A 49 17.462 -2.734 -6.561 1.00 70.40 H new ATOM 0 HZ2 LYS A 49 16.186 -2.725 -5.440 1.00 70.40 H new ATOM 0 HZ3 LYS A 49 15.856 -2.624 -7.102 1.00 70.40 H new ATOM 647 N LYS A 50 13.105 2.588 -7.258 1.00 22.12 N ATOM 648 CA LYS A 50 13.773 3.632 -8.050 1.00 75.43 C ATOM 649 C LYS A 50 13.320 5.045 -7.689 1.00 51.43 C ATOM 650 O LYS A 50 14.145 5.934 -7.453 1.00 33.43 O ATOM 651 CB LYS A 50 13.596 3.401 -9.566 1.00 3.31 C ATOM 652 CG LYS A 50 14.649 2.511 -10.227 1.00 53.22 C ATOM 653 CD LYS A 50 14.778 1.162 -9.572 1.00 32.01 C ATOM 654 CE LYS A 50 15.851 0.323 -10.239 1.00 54.10 C ATOM 655 NZ LYS A 50 17.179 0.988 -10.224 1.00 33.01 N ATOM 0 H LYS A 50 12.459 2.010 -7.795 1.00 22.12 H new ATOM 0 HA LYS A 50 14.830 3.552 -7.797 1.00 75.43 H new ATOM 0 HB2 LYS A 50 12.614 2.959 -9.736 1.00 3.31 H new ATOM 0 HB3 LYS A 50 13.600 4.370 -10.066 1.00 3.31 H new ATOM 0 HG2 LYS A 50 14.393 2.375 -11.278 1.00 53.22 H new ATOM 0 HG3 LYS A 50 15.614 3.017 -10.197 1.00 53.22 H new ATOM 0 HD2 LYS A 50 15.018 1.290 -8.516 1.00 32.01 H new ATOM 0 HD3 LYS A 50 13.823 0.639 -9.621 1.00 32.01 H new ATOM 0 HE2 LYS A 50 15.924 -0.639 -9.732 1.00 54.10 H new ATOM 0 HE3 LYS A 50 15.561 0.119 -11.270 1.00 54.10 H new ATOM 0 HZ1 LYS A 50 17.920 0.289 -10.435 1.00 33.01 H new ATOM 0 HZ2 LYS A 50 17.198 1.741 -10.941 1.00 33.01 H new ATOM 0 HZ3 LYS A 50 17.350 1.400 -9.285 1.00 33.01 H new ATOM 669 N LYS A 51 12.027 5.241 -7.633 1.00 24.43 N ATOM 670 CA LYS A 51 11.458 6.560 -7.458 1.00 4.11 C ATOM 671 C LYS A 51 11.652 7.139 -6.046 1.00 5.31 C ATOM 672 O LYS A 51 11.856 8.341 -5.899 1.00 52.23 O ATOM 673 CB LYS A 51 9.981 6.534 -7.857 1.00 64.10 C ATOM 674 CG LYS A 51 9.263 7.860 -7.763 1.00 40.35 C ATOM 675 CD LYS A 51 7.834 7.726 -8.253 1.00 63.40 C ATOM 676 CE LYS A 51 7.063 9.029 -8.141 1.00 23.43 C ATOM 677 NZ LYS A 51 7.669 10.119 -8.926 1.00 33.21 N ATOM 0 H LYS A 51 11.337 4.494 -7.707 1.00 24.43 H new ATOM 0 HA LYS A 51 12.004 7.237 -8.115 1.00 4.11 H new ATOM 0 HB2 LYS A 51 9.905 6.170 -8.882 1.00 64.10 H new ATOM 0 HB3 LYS A 51 9.463 5.814 -7.224 1.00 64.10 H new ATOM 0 HG2 LYS A 51 9.268 8.211 -6.731 1.00 40.35 H new ATOM 0 HG3 LYS A 51 9.789 8.608 -8.357 1.00 40.35 H new ATOM 0 HD2 LYS A 51 7.838 7.397 -9.292 1.00 63.40 H new ATOM 0 HD3 LYS A 51 7.325 6.954 -7.676 1.00 63.40 H new ATOM 0 HE2 LYS A 51 6.039 8.870 -8.478 1.00 23.43 H new ATOM 0 HE3 LYS A 51 7.011 9.327 -7.094 1.00 23.43 H new ATOM 0 HZ1 LYS A 51 7.026 10.937 -8.938 1.00 33.21 H new ATOM 0 HZ2 LYS A 51 8.574 10.396 -8.494 1.00 33.21 H new ATOM 0 HZ3 LYS A 51 7.835 9.795 -9.900 1.00 33.21 H new ATOM 691 N PHE A 52 11.602 6.309 -5.028 1.00 43.01 N ATOM 692 CA PHE A 52 11.699 6.819 -3.664 1.00 54.13 C ATOM 693 C PHE A 52 13.013 6.459 -2.978 1.00 2.02 C ATOM 694 O PHE A 52 13.307 6.983 -1.905 1.00 62.54 O ATOM 695 CB PHE A 52 10.511 6.348 -2.820 1.00 1.33 C ATOM 696 CG PHE A 52 9.182 6.780 -3.368 1.00 34.32 C ATOM 697 CD1 PHE A 52 8.731 8.073 -3.178 1.00 62.41 C ATOM 698 CD2 PHE A 52 8.388 5.894 -4.076 1.00 73.21 C ATOM 699 CE1 PHE A 52 7.513 8.477 -3.684 1.00 21.43 C ATOM 700 CE2 PHE A 52 7.171 6.291 -4.584 1.00 33.31 C ATOM 701 CZ PHE A 52 6.733 7.586 -4.390 1.00 34.50 C ATOM 0 H PHE A 52 11.497 5.297 -5.107 1.00 43.01 H new ATOM 0 HA PHE A 52 11.676 7.906 -3.745 1.00 54.13 H new ATOM 0 HB2 PHE A 52 10.532 5.260 -2.752 1.00 1.33 H new ATOM 0 HB3 PHE A 52 10.620 6.733 -1.806 1.00 1.33 H new ATOM 0 HD1 PHE A 52 9.339 8.775 -2.627 1.00 62.41 H new ATOM 0 HD2 PHE A 52 8.727 4.880 -4.232 1.00 73.21 H new ATOM 0 HE1 PHE A 52 7.171 9.489 -3.527 1.00 21.43 H new ATOM 0 HE2 PHE A 52 6.560 5.590 -5.133 1.00 33.31 H new ATOM 0 HZ PHE A 52 5.781 7.901 -4.791 1.00 34.50 H new ATOM 711 N GLY A 53 13.801 5.568 -3.590 1.00 43.51 N ATOM 712 CA GLY A 53 15.061 5.142 -2.974 1.00 43.22 C ATOM 713 C GLY A 53 14.808 4.512 -1.615 1.00 74.13 C ATOM 714 O GLY A 53 15.534 4.757 -0.640 1.00 44.22 O ATOM 0 H GLY A 53 13.595 5.136 -4.491 1.00 43.51 H new ATOM 0 HA2 GLY A 53 15.566 4.427 -3.624 1.00 43.22 H new ATOM 0 HA3 GLY A 53 15.726 5.999 -2.865 1.00 43.22 H new ATOM 718 N GLY A 54 13.768 3.698 -1.575 1.00 12.41 N ATOM 719 CA GLY A 54 13.282 3.088 -0.355 1.00 53.02 C ATOM 720 C GLY A 54 14.271 2.186 0.352 1.00 61.44 C ATOM 721 O GLY A 54 14.199 2.046 1.561 1.00 23.42 O ATOM 0 H GLY A 54 13.231 3.440 -2.403 1.00 12.41 H new ATOM 0 HA2 GLY A 54 12.980 3.878 0.332 1.00 53.02 H new ATOM 0 HA3 GLY A 54 12.388 2.509 -0.588 1.00 53.02 H new ATOM 725 N VAL A 55 15.204 1.605 -0.398 1.00 63.14 N ATOM 726 CA VAL A 55 16.122 0.622 0.101 1.00 62.41 C ATOM 727 C VAL A 55 16.843 1.030 1.407 1.00 62.42 C ATOM 728 O VAL A 55 16.827 0.277 2.378 1.00 3.05 O ATOM 729 CB VAL A 55 17.139 0.233 -1.004 1.00 11.23 C ATOM 730 CG1 VAL A 55 16.435 -0.456 -2.153 1.00 32.14 C ATOM 731 CG2 VAL A 55 17.917 1.446 -1.526 1.00 5.22 C ATOM 0 H VAL A 55 15.334 1.818 -1.387 1.00 63.14 H new ATOM 0 HA VAL A 55 15.522 -0.247 0.370 1.00 62.41 H new ATOM 0 HB VAL A 55 17.855 -0.453 -0.551 1.00 11.23 H new ATOM 0 HG11 VAL A 55 17.163 -0.722 -2.919 1.00 32.14 H new ATOM 0 HG12 VAL A 55 15.944 -1.359 -1.790 1.00 32.14 H new ATOM 0 HG13 VAL A 55 15.690 0.216 -2.579 1.00 32.14 H new ATOM 0 HG21 VAL A 55 18.617 1.125 -2.298 1.00 5.22 H new ATOM 0 HG22 VAL A 55 17.221 2.171 -1.947 1.00 5.22 H new ATOM 0 HG23 VAL A 55 18.468 1.906 -0.705 1.00 5.22 H new ATOM 737 N GLN A 56 17.423 2.213 1.443 1.00 34.45 N ATOM 738 CA GLN A 56 18.135 2.652 2.617 1.00 54.12 C ATOM 739 C GLN A 56 17.168 2.973 3.751 1.00 71.40 C ATOM 740 O GLN A 56 17.374 2.569 4.898 1.00 50.21 O ATOM 741 CB GLN A 56 18.998 3.857 2.290 1.00 34.41 C ATOM 742 CG GLN A 56 19.808 4.343 3.458 1.00 52.31 C ATOM 743 CD GLN A 56 20.773 3.287 3.956 1.00 41.33 C ATOM 744 OE1 GLN A 56 20.444 2.479 4.826 1.00 12.12 O ATOM 745 NE2 GLN A 56 21.951 3.270 3.410 1.00 4.00 N ATOM 0 H GLN A 56 17.413 2.883 0.674 1.00 34.45 H new ATOM 0 HA GLN A 56 18.783 1.841 2.948 1.00 54.12 H new ATOM 0 HB2 GLN A 56 19.671 3.602 1.471 1.00 34.41 H new ATOM 0 HB3 GLN A 56 18.360 4.667 1.937 1.00 34.41 H new ATOM 0 HG2 GLN A 56 20.364 5.235 3.168 1.00 52.31 H new ATOM 0 HG3 GLN A 56 19.139 4.634 4.268 1.00 52.31 H new ATOM 0 HE21 GLN A 56 22.190 3.954 2.692 1.00 4.00 H new ATOM 0 HE22 GLN A 56 22.637 2.573 3.699 1.00 4.00 H new ATOM 753 N GLU A 57 16.114 3.664 3.410 1.00 43.13 N ATOM 754 CA GLU A 57 15.098 4.082 4.357 1.00 74.22 C ATOM 755 C GLU A 57 14.479 2.891 5.084 1.00 32.43 C ATOM 756 O GLU A 57 14.204 2.950 6.284 1.00 53.41 O ATOM 757 CB GLU A 57 14.021 4.855 3.626 1.00 52.24 C ATOM 758 CG GLU A 57 14.512 6.119 2.955 1.00 41.43 C ATOM 759 CD GLU A 57 15.071 7.100 3.945 1.00 53.32 C ATOM 760 OE1 GLU A 57 14.295 7.907 4.495 1.00 43.20 O ATOM 761 OE2 GLU A 57 16.279 7.077 4.190 1.00 30.42 O ATOM 0 H GLU A 57 15.928 3.961 2.452 1.00 43.13 H new ATOM 0 HA GLU A 57 15.571 4.716 5.107 1.00 74.22 H new ATOM 0 HB2 GLU A 57 13.573 4.208 2.872 1.00 52.24 H new ATOM 0 HB3 GLU A 57 13.233 5.115 4.333 1.00 52.24 H new ATOM 0 HG2 GLU A 57 15.279 5.866 2.222 1.00 41.43 H new ATOM 0 HG3 GLU A 57 13.690 6.583 2.409 1.00 41.43 H new ATOM 768 N LEU A 58 14.284 1.812 4.365 1.00 23.15 N ATOM 769 CA LEU A 58 13.673 0.627 4.932 1.00 1.30 C ATOM 770 C LEU A 58 14.611 -0.062 5.900 1.00 14.45 C ATOM 771 O LEU A 58 14.181 -0.574 6.937 1.00 12.34 O ATOM 772 CB LEU A 58 13.234 -0.331 3.830 1.00 3.55 C ATOM 773 CG LEU A 58 12.202 0.219 2.847 1.00 34.12 C ATOM 774 CD1 LEU A 58 11.872 -0.805 1.792 1.00 52.32 C ATOM 775 CD2 LEU A 58 10.948 0.662 3.571 1.00 71.03 C ATOM 0 H LEU A 58 14.540 1.727 3.381 1.00 23.15 H new ATOM 0 HA LEU A 58 12.789 0.938 5.489 1.00 1.30 H new ATOM 0 HB2 LEU A 58 14.116 -0.638 3.268 1.00 3.55 H new ATOM 0 HB3 LEU A 58 12.824 -1.227 4.295 1.00 3.55 H new ATOM 0 HG LEU A 58 12.635 1.090 2.356 1.00 34.12 H new ATOM 0 HD11 LEU A 58 11.135 -0.393 1.103 1.00 52.32 H new ATOM 0 HD12 LEU A 58 12.777 -1.066 1.243 1.00 52.32 H new ATOM 0 HD13 LEU A 58 11.465 -1.698 2.266 1.00 52.32 H new ATOM 0 HD21 LEU A 58 10.229 1.050 2.849 1.00 71.03 H new ATOM 0 HD22 LEU A 58 10.512 -0.187 4.097 1.00 71.03 H new ATOM 0 HD23 LEU A 58 11.199 1.443 4.289 1.00 71.03 H new ATOM 783 N LEU A 59 15.886 -0.055 5.576 1.00 23.55 N ATOM 784 CA LEU A 59 16.886 -0.684 6.417 1.00 72.14 C ATOM 785 C LEU A 59 17.179 0.179 7.639 1.00 21.02 C ATOM 786 O LEU A 59 17.532 -0.328 8.696 1.00 4.32 O ATOM 787 CB LEU A 59 18.169 -0.965 5.620 1.00 73.14 C ATOM 788 CG LEU A 59 18.012 -1.886 4.400 1.00 21.05 C ATOM 789 CD1 LEU A 59 19.349 -2.105 3.722 1.00 61.33 C ATOM 790 CD2 LEU A 59 17.384 -3.222 4.794 1.00 53.54 C ATOM 0 H LEU A 59 16.258 0.381 4.732 1.00 23.55 H new ATOM 0 HA LEU A 59 16.491 -1.639 6.764 1.00 72.14 H new ATOM 0 HB2 LEU A 59 18.580 -0.014 5.282 1.00 73.14 H new ATOM 0 HB3 LEU A 59 18.903 -1.408 6.294 1.00 73.14 H new ATOM 0 HG LEU A 59 17.342 -1.396 3.694 1.00 21.05 H new ATOM 0 HD11 LEU A 59 19.217 -2.760 2.861 1.00 61.33 H new ATOM 0 HD12 LEU A 59 19.751 -1.147 3.392 1.00 61.33 H new ATOM 0 HD13 LEU A 59 20.042 -2.566 4.425 1.00 61.33 H new ATOM 0 HD21 LEU A 59 17.285 -3.852 3.910 1.00 53.54 H new ATOM 0 HD22 LEU A 59 18.019 -3.721 5.526 1.00 53.54 H new ATOM 0 HD23 LEU A 59 16.399 -3.047 5.227 1.00 53.54 H new ATOM 798 N ASN A 60 17.017 1.479 7.484 1.00 55.34 N ATOM 799 CA ASN A 60 17.251 2.426 8.579 1.00 50.14 C ATOM 800 C ASN A 60 16.109 2.334 9.602 1.00 50.42 C ATOM 801 O ASN A 60 16.336 2.408 10.807 1.00 24.03 O ATOM 802 CB ASN A 60 17.374 3.871 8.018 1.00 4.44 C ATOM 803 CG ASN A 60 17.784 4.939 9.054 1.00 23.43 C ATOM 804 OD1 ASN A 60 17.500 4.844 10.247 1.00 14.21 O ATOM 805 ND2 ASN A 60 18.445 5.972 8.595 1.00 33.21 N ATOM 0 H ASN A 60 16.723 1.914 6.609 1.00 55.34 H new ATOM 0 HA ASN A 60 18.185 2.172 9.080 1.00 50.14 H new ATOM 0 HB2 ASN A 60 18.106 3.870 7.210 1.00 4.44 H new ATOM 0 HB3 ASN A 60 16.417 4.158 7.581 1.00 4.44 H new ATOM 0 HD21 ASN A 60 18.734 6.716 9.230 1.00 33.21 H new ATOM 0 HD22 ASN A 60 18.671 6.033 7.602 1.00 33.21 H new ATOM 811 N GLN A 61 14.888 2.145 9.117 1.00 52.33 N ATOM 812 CA GLN A 61 13.728 2.023 10.002 1.00 22.14 C ATOM 813 C GLN A 61 13.745 0.720 10.778 1.00 14.30 C ATOM 814 O GLN A 61 13.425 0.705 11.973 1.00 30.01 O ATOM 815 CB GLN A 61 12.414 2.170 9.227 1.00 4.55 C ATOM 816 CG GLN A 61 12.152 3.577 8.714 1.00 43.13 C ATOM 817 CD GLN A 61 10.867 3.685 7.926 1.00 32.34 C ATOM 818 OE1 GLN A 61 9.789 3.933 8.484 1.00 52.21 O ATOM 819 NE2 GLN A 61 10.957 3.519 6.635 1.00 31.31 N ATOM 0 H GLN A 61 14.672 2.073 8.123 1.00 52.33 H new ATOM 0 HA GLN A 61 13.793 2.840 10.721 1.00 22.14 H new ATOM 0 HB2 GLN A 61 12.424 1.482 8.381 1.00 4.55 H new ATOM 0 HB3 GLN A 61 11.588 1.870 9.872 1.00 4.55 H new ATOM 0 HG2 GLN A 61 12.114 4.265 9.559 1.00 43.13 H new ATOM 0 HG3 GLN A 61 12.985 3.890 8.085 1.00 43.13 H new ATOM 0 HE21 GLN A 61 11.861 3.316 6.209 1.00 31.31 H new ATOM 0 HE22 GLN A 61 10.123 3.592 6.052 1.00 31.31 H new ATOM 827 N GLN A 62 14.165 -0.349 10.103 1.00 42.53 N ATOM 828 CA GLN A 62 14.193 -1.677 10.613 1.00 53.20 C ATOM 829 C GLN A 62 12.786 -2.196 10.913 1.00 34.05 C ATOM 830 O GLN A 62 12.111 -1.755 11.846 1.00 45.00 O ATOM 831 CB GLN A 62 15.112 -1.842 11.800 1.00 45.44 C ATOM 832 CG GLN A 62 15.298 -3.283 12.114 1.00 35.44 C ATOM 833 CD GLN A 62 16.188 -3.548 13.300 1.00 55.14 C ATOM 834 OE1 GLN A 62 15.720 -3.624 14.441 1.00 53.23 O ATOM 835 NE2 GLN A 62 17.460 -3.712 13.057 1.00 32.15 N ATOM 0 H GLN A 62 14.506 -0.287 9.144 1.00 42.53 H new ATOM 0 HA GLN A 62 14.614 -2.294 9.819 1.00 53.20 H new ATOM 0 HB2 GLN A 62 16.077 -1.382 11.588 1.00 45.44 H new ATOM 0 HB3 GLN A 62 14.696 -1.325 12.665 1.00 45.44 H new ATOM 0 HG2 GLN A 62 14.322 -3.732 12.299 1.00 35.44 H new ATOM 0 HG3 GLN A 62 15.718 -3.782 11.241 1.00 35.44 H new ATOM 0 HE21 GLN A 62 17.810 -3.642 12.101 1.00 32.15 H new ATOM 0 HE22 GLN A 62 18.104 -3.910 13.823 1.00 32.15 H new ATOM 843 N LYS A 63 12.352 -3.111 10.116 1.00 42.33 N ATOM 844 CA LYS A 63 11.052 -3.692 10.251 1.00 73.13 C ATOM 845 C LYS A 63 11.102 -5.211 10.236 1.00 3.34 C ATOM 846 O LYS A 63 12.152 -5.802 10.020 1.00 52.23 O ATOM 847 CB LYS A 63 10.069 -3.100 9.213 1.00 1.02 C ATOM 848 CG LYS A 63 10.715 -2.700 7.879 1.00 42.32 C ATOM 849 CD LYS A 63 11.461 -3.838 7.213 1.00 21.44 C ATOM 850 CE LYS A 63 12.234 -3.318 5.996 1.00 44.10 C ATOM 851 NZ LYS A 63 13.063 -4.360 5.353 1.00 12.51 N ATOM 0 H LYS A 63 12.896 -3.485 9.338 1.00 42.33 H new ATOM 0 HA LYS A 63 10.663 -3.425 11.234 1.00 73.13 H new ATOM 0 HB2 LYS A 63 9.284 -3.830 9.017 1.00 1.02 H new ATOM 0 HB3 LYS A 63 9.588 -2.223 9.646 1.00 1.02 H new ATOM 0 HG2 LYS A 63 9.942 -2.336 7.203 1.00 42.32 H new ATOM 0 HG3 LYS A 63 11.404 -1.873 8.050 1.00 42.32 H new ATOM 0 HD2 LYS A 63 12.150 -4.297 7.923 1.00 21.44 H new ATOM 0 HD3 LYS A 63 10.759 -4.612 6.904 1.00 21.44 H new ATOM 0 HE2 LYS A 63 11.528 -2.921 5.266 1.00 44.10 H new ATOM 0 HE3 LYS A 63 12.874 -2.491 6.304 1.00 44.10 H new ATOM 0 HZ1 LYS A 63 13.652 -3.927 4.613 1.00 12.51 H new ATOM 0 HZ2 LYS A 63 13.675 -4.806 6.066 1.00 12.51 H new ATOM 0 HZ3 LYS A 63 12.446 -5.081 4.927 1.00 12.51 H new ATOM 865 N LYS A 64 9.976 -5.814 10.470 1.00 15.24 N ATOM 866 CA LYS A 64 9.845 -7.254 10.580 1.00 75.51 C ATOM 867 C LYS A 64 8.517 -7.673 9.999 1.00 20.03 C ATOM 868 O LYS A 64 7.699 -6.810 9.682 1.00 32.21 O ATOM 869 CB LYS A 64 9.957 -7.715 12.026 1.00 53.32 C ATOM 870 CG LYS A 64 8.860 -7.225 12.933 1.00 21.11 C ATOM 871 CD LYS A 64 8.982 -7.827 14.306 1.00 42.22 C ATOM 872 CE LYS A 64 10.258 -7.395 15.005 1.00 54.15 C ATOM 873 NZ LYS A 64 10.370 -7.983 16.351 1.00 62.11 N ATOM 0 H LYS A 64 9.095 -5.315 10.594 1.00 15.24 H new ATOM 0 HA LYS A 64 10.658 -7.722 10.025 1.00 75.51 H new ATOM 0 HB2 LYS A 64 9.965 -8.805 12.045 1.00 53.32 H new ATOM 0 HB3 LYS A 64 10.915 -7.382 12.425 1.00 53.32 H new ATOM 0 HG2 LYS A 64 8.901 -6.138 13.004 1.00 21.11 H new ATOM 0 HG3 LYS A 64 7.890 -7.480 12.506 1.00 21.11 H new ATOM 0 HD2 LYS A 64 8.122 -7.534 14.908 1.00 42.22 H new ATOM 0 HD3 LYS A 64 8.961 -8.914 14.228 1.00 42.22 H new ATOM 0 HE2 LYS A 64 11.119 -7.692 14.406 1.00 54.15 H new ATOM 0 HE3 LYS A 64 10.281 -6.308 15.080 1.00 54.15 H new ATOM 0 HZ1 LYS A 64 11.254 -7.665 16.796 1.00 62.11 H new ATOM 0 HZ2 LYS A 64 9.562 -7.680 16.931 1.00 62.11 H new ATOM 0 HZ3 LYS A 64 10.373 -9.020 16.277 1.00 62.11 H new ATOM 887 N SER A 65 8.301 -8.970 9.843 1.00 54.02 N ATOM 888 CA SER A 65 7.057 -9.466 9.276 1.00 21.41 C ATOM 889 C SER A 65 5.849 -9.053 10.127 1.00 45.41 C ATOM 890 O SER A 65 5.836 -9.256 11.359 1.00 63.01 O ATOM 891 CB SER A 65 7.125 -10.985 9.098 1.00 54.41 C ATOM 892 OG SER A 65 7.429 -11.642 10.317 1.00 75.12 O ATOM 0 H SER A 65 8.969 -9.696 10.100 1.00 54.02 H new ATOM 0 HA SER A 65 6.924 -9.013 8.294 1.00 21.41 H new ATOM 0 HB2 SER A 65 6.172 -11.350 8.716 1.00 54.41 H new ATOM 0 HB3 SER A 65 7.882 -11.231 8.353 1.00 54.41 H new ATOM 0 HG SER A 65 7.463 -12.610 10.167 1.00 75.12 H new ATOM 898 N GLY A 66 4.863 -8.458 9.485 1.00 15.23 N ATOM 899 CA GLY A 66 3.689 -8.000 10.181 1.00 75.14 C ATOM 900 C GLY A 66 3.774 -6.530 10.538 1.00 54.03 C ATOM 901 O GLY A 66 2.902 -6.002 11.225 1.00 64.31 O ATOM 0 H GLY A 66 4.857 -8.283 8.480 1.00 15.23 H new ATOM 0 HA2 GLY A 66 2.810 -8.171 9.560 1.00 75.14 H new ATOM 0 HA3 GLY A 66 3.556 -8.586 11.090 1.00 75.14 H new ATOM 905 N GLU A 67 4.808 -5.876 10.063 1.00 63.21 N ATOM 906 CA GLU A 67 5.022 -4.466 10.330 1.00 74.34 C ATOM 907 C GLU A 67 4.941 -3.689 9.053 1.00 61.54 C ATOM 908 O GLU A 67 4.888 -4.266 7.959 1.00 64.12 O ATOM 909 CB GLU A 67 6.398 -4.217 10.957 1.00 2.24 C ATOM 910 CG GLU A 67 6.600 -4.807 12.319 1.00 45.23 C ATOM 911 CD GLU A 67 5.663 -4.262 13.359 1.00 60.42 C ATOM 912 OE1 GLU A 67 5.947 -3.189 13.910 1.00 1.33 O ATOM 913 OE2 GLU A 67 4.640 -4.903 13.657 1.00 12.13 O ATOM 0 H GLU A 67 5.527 -6.303 9.480 1.00 63.21 H new ATOM 0 HA GLU A 67 4.249 -4.144 11.027 1.00 74.34 H new ATOM 0 HB2 GLU A 67 7.161 -4.618 10.289 1.00 2.24 H new ATOM 0 HB3 GLU A 67 6.561 -3.141 11.018 1.00 2.24 H new ATOM 0 HG2 GLU A 67 6.473 -5.888 12.259 1.00 45.23 H new ATOM 0 HG3 GLU A 67 7.627 -4.624 12.636 1.00 45.23 H new ATOM 920 N VAL A 68 4.945 -2.397 9.179 1.00 3.13 N ATOM 921 CA VAL A 68 4.880 -1.542 8.036 1.00 41.44 C ATOM 922 C VAL A 68 5.920 -0.443 8.160 1.00 51.40 C ATOM 923 O VAL A 68 6.077 0.172 9.225 1.00 32.45 O ATOM 924 CB VAL A 68 3.450 -0.928 7.829 1.00 13.50 C ATOM 925 CG1 VAL A 68 3.053 -0.010 8.972 1.00 60.43 C ATOM 926 CG2 VAL A 68 3.347 -0.199 6.506 1.00 10.03 C ATOM 0 H VAL A 68 4.993 -1.908 10.073 1.00 3.13 H new ATOM 0 HA VAL A 68 5.092 -2.149 7.156 1.00 41.44 H new ATOM 0 HB VAL A 68 2.751 -1.764 7.816 1.00 13.50 H new ATOM 0 HG11 VAL A 68 2.057 0.392 8.787 1.00 60.43 H new ATOM 0 HG12 VAL A 68 3.049 -0.572 9.906 1.00 60.43 H new ATOM 0 HG13 VAL A 68 3.767 0.810 9.045 1.00 60.43 H new ATOM 0 HG21 VAL A 68 2.344 0.214 6.395 1.00 10.03 H new ATOM 0 HG22 VAL A 68 4.077 0.610 6.478 1.00 10.03 H new ATOM 0 HG23 VAL A 68 3.545 -0.895 5.691 1.00 10.03 H new ATOM 932 N ALA A 69 6.659 -0.240 7.121 1.00 71.35 N ATOM 933 CA ALA A 69 7.603 0.834 7.078 1.00 52.32 C ATOM 934 C ALA A 69 7.000 1.917 6.237 1.00 23.23 C ATOM 935 O ALA A 69 6.361 1.626 5.227 1.00 51.05 O ATOM 936 CB ALA A 69 8.927 0.368 6.504 1.00 70.24 C ATOM 0 H ALA A 69 6.628 -0.811 6.277 1.00 71.35 H new ATOM 0 HA ALA A 69 7.812 1.204 8.082 1.00 52.32 H new ATOM 0 HB1 ALA A 69 9.628 1.203 6.482 1.00 70.24 H new ATOM 0 HB2 ALA A 69 9.333 -0.430 7.126 1.00 70.24 H new ATOM 0 HB3 ALA A 69 8.774 -0.004 5.491 1.00 70.24 H new ATOM 942 N VAL A 70 7.163 3.140 6.636 1.00 14.43 N ATOM 943 CA VAL A 70 6.534 4.225 5.931 1.00 4.31 C ATOM 944 C VAL A 70 7.591 5.203 5.487 1.00 13.54 C ATOM 945 O VAL A 70 8.616 5.357 6.143 1.00 12.34 O ATOM 946 CB VAL A 70 5.504 4.983 6.836 1.00 15.42 C ATOM 947 CG1 VAL A 70 4.697 6.000 6.051 1.00 5.33 C ATOM 948 CG2 VAL A 70 4.600 4.030 7.607 1.00 42.54 C ATOM 0 H VAL A 70 7.723 3.417 7.442 1.00 14.43 H new ATOM 0 HA VAL A 70 6.002 3.806 5.077 1.00 4.31 H new ATOM 0 HB VAL A 70 6.090 5.533 7.573 1.00 15.42 H new ATOM 0 HG11 VAL A 70 3.996 6.501 6.718 1.00 5.33 H new ATOM 0 HG12 VAL A 70 5.369 6.737 5.611 1.00 5.33 H new ATOM 0 HG13 VAL A 70 4.145 5.494 5.259 1.00 5.33 H new ATOM 0 HG21 VAL A 70 3.904 4.604 8.219 1.00 42.54 H new ATOM 0 HG22 VAL A 70 4.041 3.411 6.905 1.00 42.54 H new ATOM 0 HG23 VAL A 70 5.207 3.392 8.249 1.00 42.54 H new ATOM 954 N LEU A 71 7.362 5.840 4.386 1.00 53.24 N ATOM 955 CA LEU A 71 8.248 6.861 3.935 1.00 5.42 C ATOM 956 C LEU A 71 7.457 8.111 3.773 1.00 13.34 C ATOM 957 O LEU A 71 6.396 8.099 3.147 1.00 24.35 O ATOM 958 CB LEU A 71 8.878 6.506 2.581 1.00 44.45 C ATOM 959 CG LEU A 71 9.630 5.183 2.488 1.00 45.41 C ATOM 960 CD1 LEU A 71 10.241 5.021 1.108 1.00 72.23 C ATOM 961 CD2 LEU A 71 10.696 5.094 3.553 1.00 55.04 C ATOM 0 H LEU A 71 6.561 5.669 3.778 1.00 53.24 H new ATOM 0 HA LEU A 71 9.050 6.977 4.664 1.00 5.42 H new ATOM 0 HB2 LEU A 71 8.086 6.498 1.832 1.00 44.45 H new ATOM 0 HB3 LEU A 71 9.567 7.306 2.309 1.00 44.45 H new ATOM 0 HG LEU A 71 8.920 4.373 2.653 1.00 45.41 H new ATOM 0 HD11 LEU A 71 10.775 4.072 1.056 1.00 72.23 H new ATOM 0 HD12 LEU A 71 9.452 5.035 0.357 1.00 72.23 H new ATOM 0 HD13 LEU A 71 10.936 5.839 0.919 1.00 72.23 H new ATOM 0 HD21 LEU A 71 11.219 4.141 3.466 1.00 55.04 H new ATOM 0 HD22 LEU A 71 11.407 5.911 3.426 1.00 55.04 H new ATOM 0 HD23 LEU A 71 10.234 5.166 4.537 1.00 55.04 H new ATOM 969 N LYS A 72 7.934 9.171 4.350 1.00 0.14 N ATOM 970 CA LYS A 72 7.295 10.434 4.196 1.00 51.11 C ATOM 971 C LYS A 72 7.963 11.148 3.063 1.00 3.33 C ATOM 972 O LYS A 72 9.148 11.492 3.130 1.00 64.51 O ATOM 973 CB LYS A 72 7.348 11.233 5.493 1.00 54.20 C ATOM 974 CG LYS A 72 6.749 12.637 5.398 1.00 31.32 C ATOM 975 CD LYS A 72 6.571 13.285 6.773 1.00 33.52 C ATOM 976 CE LYS A 72 7.851 13.288 7.598 1.00 43.12 C ATOM 977 NZ LYS A 72 8.956 14.007 6.948 1.00 54.34 N ATOM 0 H LYS A 72 8.770 9.182 4.935 1.00 0.14 H new ATOM 0 HA LYS A 72 6.237 10.304 3.966 1.00 51.11 H new ATOM 0 HB2 LYS A 72 6.820 10.678 6.269 1.00 54.20 H new ATOM 0 HB3 LYS A 72 8.387 11.316 5.812 1.00 54.20 H new ATOM 0 HG2 LYS A 72 7.395 13.265 4.784 1.00 31.32 H new ATOM 0 HG3 LYS A 72 5.783 12.585 4.895 1.00 31.32 H new ATOM 0 HD2 LYS A 72 6.226 14.311 6.643 1.00 33.52 H new ATOM 0 HD3 LYS A 72 5.793 12.754 7.321 1.00 33.52 H new ATOM 0 HE2 LYS A 72 7.650 13.744 8.568 1.00 43.12 H new ATOM 0 HE3 LYS A 72 8.157 12.259 7.787 1.00 43.12 H new ATOM 0 HZ1 LYS A 72 9.788 14.003 7.572 1.00 54.34 H new ATOM 0 HZ2 LYS A 72 9.194 13.539 6.051 1.00 54.34 H new ATOM 0 HZ3 LYS A 72 8.669 14.989 6.761 1.00 54.34 H new ATOM 991 N ARG A 73 7.229 11.328 2.017 1.00 15.30 N ATOM 992 CA ARG A 73 7.750 11.903 0.799 1.00 41.44 C ATOM 993 C ARG A 73 6.782 12.886 0.228 1.00 40.14 C ATOM 994 O ARG A 73 5.660 12.523 -0.098 1.00 71.42 O ATOM 995 CB ARG A 73 8.046 10.793 -0.227 1.00 51.22 C ATOM 996 CG ARG A 73 9.150 9.843 0.201 1.00 24.43 C ATOM 997 CD ARG A 73 10.489 10.556 0.253 1.00 5.41 C ATOM 998 NE ARG A 73 11.530 9.722 0.838 1.00 4.31 N ATOM 999 CZ ARG A 73 12.752 9.535 0.339 1.00 3.14 C ATOM 1000 NH1 ARG A 73 13.099 10.064 -0.841 1.00 15.31 N ATOM 1001 NH2 ARG A 73 13.628 8.831 1.027 1.00 73.24 N ATOM 0 H ARG A 73 6.240 11.082 1.972 1.00 15.30 H new ATOM 0 HA ARG A 73 8.678 12.426 1.032 1.00 41.44 H new ATOM 0 HB2 ARG A 73 7.135 10.221 -0.403 1.00 51.22 H new ATOM 0 HB3 ARG A 73 8.322 11.252 -1.176 1.00 51.22 H new ATOM 0 HG2 ARG A 73 8.917 9.427 1.181 1.00 24.43 H new ATOM 0 HG3 ARG A 73 9.206 9.007 -0.496 1.00 24.43 H new ATOM 0 HD2 ARG A 73 10.783 10.849 -0.755 1.00 5.41 H new ATOM 0 HD3 ARG A 73 10.389 11.472 0.835 1.00 5.41 H new ATOM 0 HE ARG A 73 11.304 9.238 1.707 1.00 4.31 H new ATOM 0 HH11 ARG A 73 12.425 10.618 -1.370 1.00 15.31 H new ATOM 0 HH12 ARG A 73 14.037 9.913 -1.211 1.00 15.31 H new ATOM 0 HH21 ARG A 73 13.368 8.436 1.931 1.00 73.24 H new ATOM 0 HH22 ARG A 73 14.566 8.681 0.656 1.00 73.24 H new ATOM 1013 N ASP A 74 7.199 14.140 0.160 1.00 42.35 N ATOM 1014 CA ASP A 74 6.408 15.228 -0.438 1.00 40.43 C ATOM 1015 C ASP A 74 5.081 15.404 0.286 1.00 1.42 C ATOM 1016 O ASP A 74 4.105 15.915 -0.281 1.00 12.43 O ATOM 1017 CB ASP A 74 6.161 14.952 -1.939 1.00 41.43 C ATOM 1018 CG ASP A 74 7.407 15.023 -2.797 1.00 10.23 C ATOM 1019 OD1 ASP A 74 8.215 14.061 -2.809 1.00 12.05 O ATOM 1020 OD2 ASP A 74 7.600 16.050 -3.486 1.00 64.01 O ATOM 0 H ASP A 74 8.104 14.445 0.519 1.00 42.35 H new ATOM 0 HA ASP A 74 6.977 16.152 -0.336 1.00 40.43 H new ATOM 0 HB2 ASP A 74 5.715 13.963 -2.046 1.00 41.43 H new ATOM 0 HB3 ASP A 74 5.434 15.672 -2.314 1.00 41.43 H new ATOM 1025 N GLY A 75 5.071 15.074 1.557 1.00 41.34 N ATOM 1026 CA GLY A 75 3.870 15.191 2.354 1.00 0.43 C ATOM 1027 C GLY A 75 2.977 13.957 2.302 1.00 42.23 C ATOM 1028 O GLY A 75 2.022 13.850 3.076 1.00 53.24 O ATOM 0 H GLY A 75 5.883 14.721 2.063 1.00 41.34 H new ATOM 0 HA2 GLY A 75 4.149 15.383 3.390 1.00 0.43 H new ATOM 0 HA3 GLY A 75 3.301 16.055 2.012 1.00 0.43 H new ATOM 1032 N ARG A 76 3.277 13.016 1.420 1.00 53.22 N ATOM 1033 CA ARG A 76 2.467 11.814 1.325 1.00 75.33 C ATOM 1034 C ARG A 76 3.235 10.667 1.947 1.00 52.33 C ATOM 1035 O ARG A 76 4.418 10.821 2.301 1.00 44.13 O ATOM 1036 CB ARG A 76 2.088 11.486 -0.140 1.00 51.05 C ATOM 1037 CG ARG A 76 3.222 10.948 -1.005 1.00 75.33 C ATOM 1038 CD ARG A 76 2.806 10.785 -2.464 1.00 63.43 C ATOM 1039 NE ARG A 76 1.611 9.953 -2.656 1.00 63.41 N ATOM 1040 CZ ARG A 76 1.219 9.438 -3.829 1.00 44.34 C ATOM 1041 NH1 ARG A 76 1.951 9.656 -4.916 1.00 25.24 N ATOM 1042 NH2 ARG A 76 0.085 8.723 -3.918 1.00 24.34 N ATOM 0 H ARG A 76 4.062 13.060 0.770 1.00 53.22 H new ATOM 0 HA ARG A 76 1.532 11.976 1.861 1.00 75.33 H new ATOM 0 HB2 ARG A 76 1.281 10.754 -0.133 1.00 51.05 H new ATOM 0 HB3 ARG A 76 1.695 12.389 -0.607 1.00 51.05 H new ATOM 0 HG2 ARG A 76 4.075 11.624 -0.945 1.00 75.33 H new ATOM 0 HG3 ARG A 76 3.551 9.986 -0.613 1.00 75.33 H new ATOM 0 HD2 ARG A 76 2.622 11.771 -2.891 1.00 63.43 H new ATOM 0 HD3 ARG A 76 3.634 10.347 -3.020 1.00 63.43 H new ATOM 0 HE ARG A 76 1.038 9.753 -1.836 1.00 63.41 H new ATOM 0 HH11 ARG A 76 2.804 10.212 -4.853 1.00 25.24 H new ATOM 0 HH12 ARG A 76 1.660 9.268 -5.813 1.00 25.24 H new ATOM 0 HH21 ARG A 76 -0.487 8.568 -3.088 1.00 24.34 H new ATOM 0 HH22 ARG A 76 -0.204 8.335 -4.816 1.00 24.34 H new ATOM 1054 N TYR A 77 2.600 9.543 2.095 1.00 5.42 N ATOM 1055 CA TYR A 77 3.243 8.418 2.701 1.00 1.31 C ATOM 1056 C TYR A 77 3.342 7.251 1.778 1.00 54.12 C ATOM 1057 O TYR A 77 2.544 7.101 0.848 1.00 62.14 O ATOM 1058 CB TYR A 77 2.556 8.040 3.997 1.00 30.44 C ATOM 1059 CG TYR A 77 2.688 9.117 5.020 1.00 4.34 C ATOM 1060 CD1 TYR A 77 3.884 9.293 5.674 1.00 2.31 C ATOM 1061 CD2 TYR A 77 1.645 9.973 5.311 1.00 50.21 C ATOM 1062 CE1 TYR A 77 4.054 10.273 6.588 1.00 22.13 C ATOM 1063 CE2 TYR A 77 1.804 10.981 6.234 1.00 1.03 C ATOM 1064 CZ TYR A 77 3.016 11.123 6.874 1.00 11.12 C ATOM 1065 OH TYR A 77 3.189 12.134 7.786 1.00 64.21 O ATOM 0 H TYR A 77 1.636 9.381 1.804 1.00 5.42 H new ATOM 0 HA TYR A 77 4.266 8.718 2.930 1.00 1.31 H new ATOM 0 HB2 TYR A 77 1.501 7.845 3.807 1.00 30.44 H new ATOM 0 HB3 TYR A 77 2.987 7.116 4.382 1.00 30.44 H new ATOM 0 HD1 TYR A 77 4.708 8.631 5.452 1.00 2.31 H new ATOM 0 HD2 TYR A 77 0.696 9.851 4.810 1.00 50.21 H new ATOM 0 HE1 TYR A 77 5.003 10.387 7.091 1.00 22.13 H new ATOM 0 HE2 TYR A 77 0.988 11.653 6.454 1.00 1.03 H new ATOM 0 HH TYR A 77 2.458 12.781 7.700 1.00 64.21 H new ATOM 1075 N ILE A 78 4.341 6.445 2.009 1.00 12.22 N ATOM 1076 CA ILE A 78 4.559 5.258 1.231 1.00 64.11 C ATOM 1077 C ILE A 78 4.637 4.112 2.215 1.00 11.53 C ATOM 1078 O ILE A 78 5.512 4.099 3.074 1.00 5.22 O ATOM 1079 CB ILE A 78 5.896 5.323 0.428 1.00 24.44 C ATOM 1080 CG1 ILE A 78 6.026 6.647 -0.361 1.00 11.43 C ATOM 1081 CG2 ILE A 78 5.993 4.135 -0.530 1.00 14.32 C ATOM 1082 CD1 ILE A 78 4.945 6.878 -1.395 1.00 4.30 C ATOM 0 H ILE A 78 5.030 6.594 2.746 1.00 12.22 H new ATOM 0 HA ILE A 78 3.752 5.140 0.508 1.00 64.11 H new ATOM 0 HB ILE A 78 6.715 5.280 1.146 1.00 24.44 H new ATOM 0 HG12 ILE A 78 6.017 7.477 0.345 1.00 11.43 H new ATOM 0 HG13 ILE A 78 6.995 6.663 -0.859 1.00 11.43 H new ATOM 0 HG21 ILE A 78 6.930 4.191 -1.085 1.00 14.32 H new ATOM 0 HG22 ILE A 78 5.963 3.206 0.039 1.00 14.32 H new ATOM 0 HG23 ILE A 78 5.156 4.161 -1.228 1.00 14.32 H new ATOM 0 HD11 ILE A 78 5.119 7.830 -1.897 1.00 4.30 H new ATOM 0 HD12 ILE A 78 4.965 6.072 -2.129 1.00 4.30 H new ATOM 0 HD13 ILE A 78 3.971 6.899 -0.905 1.00 4.30 H new ATOM 1089 N TYR A 79 3.730 3.191 2.113 1.00 45.14 N ATOM 1090 CA TYR A 79 3.654 2.092 3.043 1.00 34.03 C ATOM 1091 C TYR A 79 4.249 0.824 2.466 1.00 22.53 C ATOM 1092 O TYR A 79 3.948 0.424 1.325 1.00 11.14 O ATOM 1093 CB TYR A 79 2.210 1.838 3.465 1.00 53.34 C ATOM 1094 CG TYR A 79 1.539 2.993 4.174 1.00 51.04 C ATOM 1095 CD1 TYR A 79 1.666 3.150 5.542 1.00 23.23 C ATOM 1096 CD2 TYR A 79 0.769 3.916 3.475 1.00 15.04 C ATOM 1097 CE1 TYR A 79 1.051 4.188 6.200 1.00 3.41 C ATOM 1098 CE2 TYR A 79 0.149 4.964 4.128 1.00 35.52 C ATOM 1099 CZ TYR A 79 0.294 5.093 5.493 1.00 31.51 C ATOM 1100 OH TYR A 79 -0.321 6.137 6.163 1.00 54.20 O ATOM 0 H TYR A 79 3.017 3.174 1.384 1.00 45.14 H new ATOM 0 HA TYR A 79 4.239 2.374 3.918 1.00 34.03 H new ATOM 0 HB2 TYR A 79 1.627 1.587 2.579 1.00 53.34 H new ATOM 0 HB3 TYR A 79 2.186 0.967 4.119 1.00 53.34 H new ATOM 0 HD1 TYR A 79 2.259 2.444 6.104 1.00 23.23 H new ATOM 0 HD2 TYR A 79 0.654 3.812 2.406 1.00 15.04 H new ATOM 0 HE1 TYR A 79 1.162 4.293 7.269 1.00 3.41 H new ATOM 0 HE2 TYR A 79 -0.444 5.676 3.574 1.00 35.52 H new ATOM 0 HH TYR A 79 -1.171 5.828 6.540 1.00 54.20 H new ATOM 1110 N TYR A 80 5.106 0.218 3.237 1.00 64.33 N ATOM 1111 CA TYR A 80 5.714 -1.043 2.908 1.00 45.10 C ATOM 1112 C TYR A 80 5.281 -2.086 3.904 1.00 21.41 C ATOM 1113 O TYR A 80 5.769 -2.107 5.039 1.00 3.40 O ATOM 1114 CB TYR A 80 7.243 -0.937 2.898 1.00 23.52 C ATOM 1115 CG TYR A 80 7.792 -0.062 1.806 1.00 25.13 C ATOM 1116 CD1 TYR A 80 7.847 1.313 1.940 1.00 3.03 C ATOM 1117 CD2 TYR A 80 8.244 -0.618 0.631 1.00 73.02 C ATOM 1118 CE1 TYR A 80 8.343 2.099 0.930 1.00 10.23 C ATOM 1119 CE2 TYR A 80 8.737 0.157 -0.381 1.00 65.12 C ATOM 1120 CZ TYR A 80 8.785 1.513 -0.231 1.00 45.34 C ATOM 1121 OH TYR A 80 9.264 2.291 -1.253 1.00 3.13 O ATOM 0 H TYR A 80 5.410 0.595 4.135 1.00 64.33 H new ATOM 0 HA TYR A 80 5.389 -1.330 1.908 1.00 45.10 H new ATOM 0 HB2 TYR A 80 7.576 -0.549 3.861 1.00 23.52 H new ATOM 0 HB3 TYR A 80 7.665 -1.937 2.794 1.00 23.52 H new ATOM 0 HD1 TYR A 80 7.495 1.774 2.851 1.00 3.03 H new ATOM 0 HD2 TYR A 80 8.208 -1.690 0.506 1.00 73.02 H new ATOM 0 HE1 TYR A 80 8.385 3.172 1.047 1.00 10.23 H new ATOM 0 HE2 TYR A 80 9.087 -0.301 -1.294 1.00 65.12 H new ATOM 0 HH TYR A 80 9.536 1.718 -2.000 1.00 3.13 H new ATOM 1131 N LEU A 81 4.348 -2.910 3.498 1.00 63.45 N ATOM 1132 CA LEU A 81 3.840 -3.978 4.337 1.00 73.41 C ATOM 1133 C LEU A 81 4.838 -5.113 4.298 1.00 75.53 C ATOM 1134 O LEU A 81 5.172 -5.597 3.218 1.00 30.12 O ATOM 1135 CB LEU A 81 2.481 -4.470 3.802 1.00 62.33 C ATOM 1136 CG LEU A 81 1.380 -3.414 3.634 1.00 34.54 C ATOM 1137 CD1 LEU A 81 0.127 -4.046 3.070 1.00 70.42 C ATOM 1138 CD2 LEU A 81 1.064 -2.741 4.950 1.00 33.22 C ATOM 0 H LEU A 81 3.915 -2.863 2.575 1.00 63.45 H new ATOM 0 HA LEU A 81 3.702 -3.620 5.357 1.00 73.41 H new ATOM 0 HB2 LEU A 81 2.648 -4.943 2.835 1.00 62.33 H new ATOM 0 HB3 LEU A 81 2.110 -5.243 4.475 1.00 62.33 H new ATOM 0 HG LEU A 81 1.746 -2.658 2.939 1.00 34.54 H new ATOM 0 HD11 LEU A 81 -0.645 -3.285 2.956 1.00 70.42 H new ATOM 0 HD12 LEU A 81 0.348 -4.487 2.098 1.00 70.42 H new ATOM 0 HD13 LEU A 81 -0.226 -4.822 3.749 1.00 70.42 H new ATOM 0 HD21 LEU A 81 0.281 -1.998 4.800 1.00 33.22 H new ATOM 0 HD22 LEU A 81 0.723 -3.487 5.668 1.00 33.22 H new ATOM 0 HD23 LEU A 81 1.960 -2.252 5.333 1.00 33.22 H new ATOM 1146 N ILE A 82 5.326 -5.524 5.436 1.00 1.02 N ATOM 1147 CA ILE A 82 6.325 -6.564 5.471 1.00 52.11 C ATOM 1148 C ILE A 82 5.665 -7.923 5.632 1.00 65.53 C ATOM 1149 O ILE A 82 5.079 -8.230 6.678 1.00 63.24 O ATOM 1150 CB ILE A 82 7.345 -6.350 6.603 1.00 20.40 C ATOM 1151 CG1 ILE A 82 7.956 -4.939 6.532 1.00 61.34 C ATOM 1152 CG2 ILE A 82 8.449 -7.405 6.517 1.00 35.42 C ATOM 1153 CD1 ILE A 82 8.738 -4.645 5.263 1.00 73.32 C ATOM 0 H ILE A 82 5.052 -5.159 6.348 1.00 1.02 H new ATOM 0 HA ILE A 82 6.863 -6.524 4.524 1.00 52.11 H new ATOM 0 HB ILE A 82 6.826 -6.450 7.556 1.00 20.40 H new ATOM 0 HG12 ILE A 82 7.154 -4.206 6.626 1.00 61.34 H new ATOM 0 HG13 ILE A 82 8.616 -4.801 7.389 1.00 61.34 H new ATOM 0 HG21 ILE A 82 9.167 -7.247 7.322 1.00 35.42 H new ATOM 0 HG22 ILE A 82 8.011 -8.399 6.612 1.00 35.42 H new ATOM 0 HG23 ILE A 82 8.957 -7.323 5.556 1.00 35.42 H new ATOM 0 HD11 ILE A 82 9.130 -3.629 5.304 1.00 73.32 H new ATOM 0 HD12 ILE A 82 9.565 -5.349 5.174 1.00 73.32 H new ATOM 0 HD13 ILE A 82 8.081 -4.746 4.399 1.00 73.32 H new ATOM 1160 N THR A 83 5.770 -8.719 4.609 1.00 71.45 N ATOM 1161 CA THR A 83 5.179 -10.023 4.568 1.00 3.11 C ATOM 1162 C THR A 83 5.939 -11.051 5.417 1.00 15.52 C ATOM 1163 O THR A 83 5.461 -11.474 6.474 1.00 72.34 O ATOM 1164 CB THR A 83 5.066 -10.471 3.111 1.00 73.43 C ATOM 1165 OG1 THR A 83 6.335 -10.286 2.442 1.00 22.11 O ATOM 1166 CG2 THR A 83 3.982 -9.678 2.411 1.00 10.34 C ATOM 0 H THR A 83 6.281 -8.474 3.761 1.00 71.45 H new ATOM 0 HA THR A 83 4.185 -9.960 5.011 1.00 3.11 H new ATOM 0 HB THR A 83 4.802 -11.528 3.079 1.00 73.43 H new ATOM 0 HG1 THR A 83 6.258 -10.576 1.509 1.00 22.11 H new ATOM 0 HG21 THR A 83 3.907 -10.002 1.373 1.00 10.34 H new ATOM 0 HG22 THR A 83 3.029 -9.843 2.913 1.00 10.34 H new ATOM 0 HG23 THR A 83 4.229 -8.617 2.443 1.00 10.34 H new ATOM 1172 N LYS A 84 7.092 -11.450 4.946 1.00 32.44 N ATOM 1173 CA LYS A 84 7.981 -12.359 5.652 1.00 21.42 C ATOM 1174 C LYS A 84 9.391 -11.898 5.485 1.00 35.25 C ATOM 1175 O LYS A 84 9.646 -10.988 4.681 1.00 34.02 O ATOM 1176 CB LYS A 84 7.829 -13.823 5.190 1.00 1.14 C ATOM 1177 CG LYS A 84 6.553 -14.508 5.660 1.00 4.04 C ATOM 1178 CD LYS A 84 6.494 -14.538 7.183 1.00 12.13 C ATOM 1179 CE LYS A 84 5.304 -15.324 7.712 1.00 41.12 C ATOM 1180 NZ LYS A 84 5.374 -16.761 7.367 1.00 13.32 N ATOM 0 H LYS A 84 7.454 -11.150 4.041 1.00 32.44 H new ATOM 0 HA LYS A 84 7.705 -12.341 6.706 1.00 21.42 H new ATOM 0 HB2 LYS A 84 7.861 -13.851 4.101 1.00 1.14 H new ATOM 0 HB3 LYS A 84 8.685 -14.394 5.549 1.00 1.14 H new ATOM 0 HG2 LYS A 84 5.684 -13.981 5.267 1.00 4.04 H new ATOM 0 HG3 LYS A 84 6.513 -15.524 5.268 1.00 4.04 H new ATOM 0 HD2 LYS A 84 7.414 -14.977 7.569 1.00 12.13 H new ATOM 0 HD3 LYS A 84 6.445 -13.517 7.560 1.00 12.13 H new ATOM 0 HE2 LYS A 84 5.254 -15.216 8.796 1.00 41.12 H new ATOM 0 HE3 LYS A 84 4.385 -14.901 7.307 1.00 41.12 H new ATOM 0 HZ1 LYS A 84 4.928 -17.321 8.121 1.00 13.32 H new ATOM 0 HZ2 LYS A 84 4.875 -16.927 6.470 1.00 13.32 H new ATOM 0 HZ3 LYS A 84 6.369 -17.046 7.267 1.00 13.32 H new ATOM 1194 N LYS A 85 10.321 -12.512 6.220 1.00 62.14 N ATOM 1195 CA LYS A 85 11.708 -12.105 6.147 1.00 25.22 C ATOM 1196 C LYS A 85 12.273 -12.271 4.762 1.00 73.04 C ATOM 1197 O LYS A 85 12.999 -11.443 4.308 1.00 3.14 O ATOM 1198 CB LYS A 85 12.594 -12.765 7.197 1.00 33.45 C ATOM 1199 CG LYS A 85 12.170 -12.452 8.623 1.00 21.01 C ATOM 1200 CD LYS A 85 13.198 -12.909 9.646 1.00 73.33 C ATOM 1201 CE LYS A 85 14.522 -12.171 9.477 1.00 71.44 C ATOM 1202 NZ LYS A 85 15.515 -12.578 10.481 1.00 63.50 N ATOM 0 H LYS A 85 10.133 -13.282 6.862 1.00 62.14 H new ATOM 0 HA LYS A 85 11.710 -11.040 6.381 1.00 25.22 H new ATOM 0 HB2 LYS A 85 12.578 -13.845 7.049 1.00 33.45 H new ATOM 0 HB3 LYS A 85 13.624 -12.438 7.051 1.00 33.45 H new ATOM 0 HG2 LYS A 85 12.012 -11.378 8.725 1.00 21.01 H new ATOM 0 HG3 LYS A 85 11.215 -12.936 8.830 1.00 21.01 H new ATOM 0 HD2 LYS A 85 12.812 -12.740 10.651 1.00 73.33 H new ATOM 0 HD3 LYS A 85 13.363 -13.982 9.544 1.00 73.33 H new ATOM 0 HE2 LYS A 85 14.917 -12.361 8.479 1.00 71.44 H new ATOM 0 HE3 LYS A 85 14.350 -11.097 9.553 1.00 71.44 H new ATOM 0 HZ1 LYS A 85 16.399 -12.052 10.328 1.00 63.50 H new ATOM 0 HZ2 LYS A 85 15.150 -12.373 11.433 1.00 63.50 H new ATOM 0 HZ3 LYS A 85 15.700 -13.598 10.393 1.00 63.50 H new ATOM 1216 N ARG A 86 11.896 -13.336 4.093 1.00 34.03 N ATOM 1217 CA ARG A 86 12.303 -13.554 2.718 1.00 41.42 C ATOM 1218 C ARG A 86 11.144 -14.044 1.894 1.00 52.33 C ATOM 1219 O ARG A 86 10.238 -14.679 2.422 1.00 51.33 O ATOM 1220 CB ARG A 86 13.531 -14.475 2.594 1.00 53.23 C ATOM 1221 CG ARG A 86 14.829 -13.791 2.984 1.00 43.42 C ATOM 1222 CD ARG A 86 16.038 -14.673 2.796 1.00 63.24 C ATOM 1223 NE ARG A 86 17.276 -13.906 2.994 1.00 15.12 N ATOM 1224 CZ ARG A 86 18.492 -14.435 3.138 1.00 74.23 C ATOM 1225 NH1 ARG A 86 18.653 -15.750 3.123 1.00 13.31 N ATOM 1226 NH2 ARG A 86 19.548 -13.637 3.298 1.00 35.13 N ATOM 0 H ARG A 86 11.304 -14.071 4.479 1.00 34.03 H new ATOM 0 HA ARG A 86 12.619 -12.590 2.320 1.00 41.42 H new ATOM 0 HB2 ARG A 86 13.385 -15.352 3.225 1.00 53.23 H new ATOM 0 HB3 ARG A 86 13.609 -14.831 1.567 1.00 53.23 H new ATOM 0 HG2 ARG A 86 14.950 -12.886 2.389 1.00 43.42 H new ATOM 0 HG3 ARG A 86 14.771 -13.481 4.027 1.00 43.42 H new ATOM 0 HD2 ARG A 86 16.002 -15.503 3.501 1.00 63.24 H new ATOM 0 HD3 ARG A 86 16.028 -15.104 1.795 1.00 63.24 H new ATOM 0 HE ARG A 86 17.199 -12.889 3.024 1.00 15.12 H new ATOM 0 HH11 ARG A 86 17.846 -16.361 3.001 1.00 13.31 H new ATOM 0 HH12 ARG A 86 19.584 -16.151 3.233 1.00 13.31 H new ATOM 0 HH21 ARG A 86 19.425 -12.625 3.310 1.00 35.13 H new ATOM 0 HH22 ARG A 86 20.479 -14.039 3.408 1.00 35.13 H new ATOM 1238 N ALA A 87 11.175 -13.731 0.609 1.00 13.33 N ATOM 1239 CA ALA A 87 10.123 -14.099 -0.347 1.00 43.11 C ATOM 1240 C ALA A 87 10.110 -15.592 -0.593 1.00 4.24 C ATOM 1241 O ALA A 87 9.142 -16.145 -1.082 1.00 0.33 O ATOM 1242 CB ALA A 87 10.279 -13.332 -1.648 1.00 1.41 C ATOM 0 H ALA A 87 11.940 -13.206 0.186 1.00 13.33 H new ATOM 0 HA ALA A 87 9.162 -13.825 0.090 1.00 43.11 H new ATOM 0 HB1 ALA A 87 9.488 -13.623 -2.339 1.00 1.41 H new ATOM 0 HB2 ALA A 87 10.213 -12.262 -1.450 1.00 1.41 H new ATOM 0 HB3 ALA A 87 11.249 -13.560 -2.091 1.00 1.41 H new ATOM 1248 N SER A 88 11.218 -16.229 -0.272 1.00 11.34 N ATOM 1249 CA SER A 88 11.345 -17.658 -0.375 1.00 55.00 C ATOM 1250 C SER A 88 10.580 -18.342 0.770 1.00 33.04 C ATOM 1251 O SER A 88 10.425 -19.570 0.802 1.00 45.10 O ATOM 1252 CB SER A 88 12.823 -18.017 -0.344 1.00 42.50 C ATOM 1253 OG SER A 88 13.457 -17.433 0.793 1.00 4.24 O ATOM 0 H SER A 88 12.058 -15.761 0.069 1.00 11.34 H new ATOM 0 HA SER A 88 10.913 -18.008 -1.312 1.00 55.00 H new ATOM 0 HB2 SER A 88 12.939 -19.100 -0.316 1.00 42.50 H new ATOM 0 HB3 SER A 88 13.307 -17.668 -1.256 1.00 42.50 H new ATOM 0 HG SER A 88 14.407 -17.675 0.798 1.00 4.24 H new ATOM 1259 N HIS A 89 10.113 -17.535 1.708 1.00 71.43 N ATOM 1260 CA HIS A 89 9.332 -18.009 2.820 1.00 70.42 C ATOM 1261 C HIS A 89 7.889 -17.800 2.449 1.00 55.10 C ATOM 1262 O HIS A 89 7.595 -16.981 1.591 1.00 14.15 O ATOM 1263 CB HIS A 89 9.632 -17.222 4.115 1.00 44.50 C ATOM 1264 CG HIS A 89 11.068 -17.208 4.567 1.00 31.22 C ATOM 1265 ND1 HIS A 89 11.514 -16.387 5.571 1.00 70.14 N ATOM 1266 CD2 HIS A 89 12.158 -17.897 4.144 1.00 42.32 C ATOM 1267 CE1 HIS A 89 12.802 -16.553 5.748 1.00 42.45 C ATOM 1268 NE2 HIS A 89 13.228 -17.468 4.901 1.00 72.41 N ATOM 0 H HIS A 89 10.270 -16.527 1.712 1.00 71.43 H new ATOM 0 HA HIS A 89 9.570 -19.055 3.014 1.00 70.42 H new ATOM 0 HB2 HIS A 89 9.308 -16.191 3.972 1.00 44.50 H new ATOM 0 HB3 HIS A 89 9.024 -17.639 4.918 1.00 44.50 H new ATOM 0 HD2 HIS A 89 12.183 -18.641 3.362 1.00 42.32 H new ATOM 0 HE1 HIS A 89 13.412 -16.028 6.468 1.00 42.45 H new ATOM 0 HE2 HIS A 89 14.188 -17.803 4.819 1.00 72.41 H new ATOM 1277 N LYS A 90 7.005 -18.499 3.078 1.00 44.11 N ATOM 1278 CA LYS A 90 5.606 -18.398 2.732 1.00 42.51 C ATOM 1279 C LYS A 90 4.899 -17.321 3.553 1.00 62.22 C ATOM 1280 O LYS A 90 4.809 -17.423 4.784 1.00 12.30 O ATOM 1281 CB LYS A 90 4.928 -19.752 2.897 1.00 22.42 C ATOM 1282 CG LYS A 90 5.566 -20.832 2.044 1.00 24.05 C ATOM 1283 CD LYS A 90 4.870 -22.162 2.196 1.00 3.34 C ATOM 1284 CE LYS A 90 5.546 -23.227 1.348 1.00 33.32 C ATOM 1285 NZ LYS A 90 4.875 -24.537 1.467 1.00 11.54 N ATOM 0 H LYS A 90 7.215 -19.149 3.835 1.00 44.11 H new ATOM 0 HA LYS A 90 5.535 -18.098 1.686 1.00 42.51 H new ATOM 0 HB2 LYS A 90 4.970 -20.050 3.945 1.00 22.42 H new ATOM 0 HB3 LYS A 90 3.874 -19.661 2.633 1.00 22.42 H new ATOM 0 HG2 LYS A 90 5.541 -20.528 0.997 1.00 24.05 H new ATOM 0 HG3 LYS A 90 6.615 -20.939 2.320 1.00 24.05 H new ATOM 0 HD2 LYS A 90 4.880 -22.465 3.243 1.00 3.34 H new ATOM 0 HD3 LYS A 90 3.825 -22.066 1.902 1.00 3.34 H new ATOM 0 HE2 LYS A 90 5.546 -22.913 0.304 1.00 33.32 H new ATOM 0 HE3 LYS A 90 6.588 -23.325 1.652 1.00 33.32 H new ATOM 0 HZ1 LYS A 90 5.367 -25.234 0.873 1.00 11.54 H new ATOM 0 HZ2 LYS A 90 4.897 -24.850 2.459 1.00 11.54 H new ATOM 0 HZ3 LYS A 90 3.887 -24.451 1.153 1.00 11.54 H new ATOM 1299 N PRO A 91 4.435 -16.241 2.896 1.00 13.53 N ATOM 1300 CA PRO A 91 3.689 -15.173 3.554 1.00 11.44 C ATOM 1301 C PRO A 91 2.369 -15.663 4.115 1.00 1.22 C ATOM 1302 O PRO A 91 1.714 -16.554 3.549 1.00 64.30 O ATOM 1303 CB PRO A 91 3.444 -14.149 2.444 1.00 64.21 C ATOM 1304 CG PRO A 91 4.469 -14.463 1.427 1.00 71.21 C ATOM 1305 CD PRO A 91 4.628 -15.950 1.468 1.00 64.15 C ATOM 0 HA PRO A 91 4.237 -14.766 4.404 1.00 11.44 H new ATOM 0 HB2 PRO A 91 2.437 -14.238 2.035 1.00 64.21 H new ATOM 0 HB3 PRO A 91 3.549 -13.129 2.813 1.00 64.21 H new ATOM 0 HG2 PRO A 91 4.156 -14.129 0.438 1.00 71.21 H new ATOM 0 HG3 PRO A 91 5.410 -13.961 1.650 1.00 71.21 H new ATOM 0 HD2 PRO A 91 3.890 -16.456 0.846 1.00 64.15 H new ATOM 0 HD3 PRO A 91 5.611 -16.265 1.117 1.00 64.15 H new ATOM 1313 N THR A 92 1.983 -15.104 5.216 1.00 23.54 N ATOM 1314 CA THR A 92 0.766 -15.488 5.850 1.00 32.01 C ATOM 1315 C THR A 92 -0.241 -14.365 5.631 1.00 1.33 C ATOM 1316 O THR A 92 0.167 -13.200 5.487 1.00 53.03 O ATOM 1317 CB THR A 92 1.040 -15.600 7.357 1.00 1.21 C ATOM 1318 OG1 THR A 92 2.235 -16.349 7.571 1.00 71.11 O ATOM 1319 CG2 THR A 92 -0.098 -16.274 8.093 1.00 53.51 C ATOM 0 H THR A 92 2.501 -14.370 5.699 1.00 23.54 H new ATOM 0 HA THR A 92 0.390 -16.431 5.453 1.00 32.01 H new ATOM 0 HB THR A 92 1.144 -14.587 7.746 1.00 1.21 H new ATOM 0 HG1 THR A 92 2.410 -16.418 8.533 1.00 71.11 H new ATOM 0 HG21 THR A 92 0.139 -16.332 9.155 1.00 53.51 H new ATOM 0 HG22 THR A 92 -1.012 -15.697 7.956 1.00 53.51 H new ATOM 0 HG23 THR A 92 -0.241 -17.280 7.698 1.00 53.51 H new ATOM 1325 N TYR A 93 -1.528 -14.673 5.642 1.00 21.15 N ATOM 1326 CA TYR A 93 -2.519 -13.628 5.531 1.00 0.53 C ATOM 1327 C TYR A 93 -2.563 -12.841 6.809 1.00 42.31 C ATOM 1328 O TYR A 93 -2.713 -11.643 6.792 1.00 52.02 O ATOM 1329 CB TYR A 93 -3.901 -14.144 5.118 1.00 23.33 C ATOM 1330 CG TYR A 93 -3.945 -14.696 3.711 1.00 72.45 C ATOM 1331 CD1 TYR A 93 -4.110 -13.841 2.632 1.00 61.31 C ATOM 1332 CD2 TYR A 93 -3.817 -16.057 3.456 1.00 32.01 C ATOM 1333 CE1 TYR A 93 -4.149 -14.318 1.343 1.00 13.41 C ATOM 1334 CE2 TYR A 93 -3.854 -16.544 2.156 1.00 15.40 C ATOM 1335 CZ TYR A 93 -4.020 -15.664 1.107 1.00 52.43 C ATOM 1336 OH TYR A 93 -4.062 -16.131 -0.193 1.00 34.03 O ATOM 0 H TYR A 93 -1.900 -15.619 5.725 1.00 21.15 H new ATOM 0 HA TYR A 93 -2.216 -12.967 4.719 1.00 0.53 H new ATOM 0 HB2 TYR A 93 -4.212 -14.922 5.815 1.00 23.33 H new ATOM 0 HB3 TYR A 93 -4.623 -13.332 5.204 1.00 23.33 H new ATOM 0 HD1 TYR A 93 -4.210 -12.780 2.807 1.00 61.31 H new ATOM 0 HD2 TYR A 93 -3.687 -16.744 4.279 1.00 32.01 H new ATOM 0 HE1 TYR A 93 -4.281 -13.634 0.517 1.00 13.41 H new ATOM 0 HE2 TYR A 93 -3.754 -17.603 1.968 1.00 15.40 H new ATOM 0 HH TYR A 93 -4.995 -16.221 -0.478 1.00 34.03 H new ATOM 1346 N GLU A 94 -2.381 -13.540 7.917 1.00 35.22 N ATOM 1347 CA GLU A 94 -2.315 -12.933 9.234 1.00 64.51 C ATOM 1348 C GLU A 94 -1.212 -11.865 9.281 1.00 42.24 C ATOM 1349 O GLU A 94 -1.429 -10.767 9.773 1.00 5.41 O ATOM 1350 CB GLU A 94 -2.038 -14.001 10.274 1.00 25.25 C ATOM 1351 CG GLU A 94 -2.022 -13.492 11.695 1.00 71.24 C ATOM 1352 CD GLU A 94 -1.688 -14.572 12.670 1.00 42.35 C ATOM 1353 OE1 GLU A 94 -2.538 -15.466 12.897 1.00 30.12 O ATOM 1354 OE2 GLU A 94 -0.591 -14.548 13.236 1.00 20.55 O ATOM 0 H GLU A 94 -2.274 -14.554 7.927 1.00 35.22 H new ATOM 0 HA GLU A 94 -3.271 -12.455 9.447 1.00 64.51 H new ATOM 0 HB2 GLU A 94 -2.795 -14.781 10.188 1.00 25.25 H new ATOM 0 HB3 GLU A 94 -1.076 -14.464 10.055 1.00 25.25 H new ATOM 0 HG2 GLU A 94 -1.294 -12.685 11.783 1.00 71.24 H new ATOM 0 HG3 GLU A 94 -2.997 -13.070 11.940 1.00 71.24 H new ATOM 1361 N ASN A 95 -0.032 -12.188 8.741 1.00 71.25 N ATOM 1362 CA ASN A 95 1.069 -11.214 8.706 1.00 34.20 C ATOM 1363 C ASN A 95 0.758 -10.037 7.809 1.00 14.21 C ATOM 1364 O ASN A 95 1.163 -8.909 8.087 1.00 0.30 O ATOM 1365 CB ASN A 95 2.439 -11.837 8.360 1.00 64.25 C ATOM 1366 CG ASN A 95 3.052 -12.619 9.515 1.00 10.13 C ATOM 1367 OD1 ASN A 95 2.857 -13.918 9.559 1.00 34.23 O flip ATOM 1368 ND2 ASN A 95 3.737 -12.047 10.348 1.00 24.45 N flip ATOM 0 H ASN A 95 0.185 -13.096 8.330 1.00 71.25 H new ATOM 0 HA ASN A 95 1.156 -10.844 9.728 1.00 34.20 H new ATOM 0 HB2 ASN A 95 2.323 -12.499 7.502 1.00 64.25 H new ATOM 0 HB3 ASN A 95 3.126 -11.045 8.061 1.00 64.25 H new ATOM 0 HD21 ASN A 95 3.872 -11.038 10.291 1.00 24.45 H new ATOM 0 HD22 ASN A 95 4.174 -12.578 11.101 1.00 24.45 H new ATOM 1374 N LEU A 96 0.015 -10.284 6.750 1.00 71.23 N ATOM 1375 CA LEU A 96 -0.383 -9.218 5.862 1.00 0.23 C ATOM 1376 C LEU A 96 -1.461 -8.368 6.550 1.00 53.43 C ATOM 1377 O LEU A 96 -1.466 -7.152 6.438 1.00 50.55 O ATOM 1378 CB LEU A 96 -0.889 -9.784 4.527 1.00 34.54 C ATOM 1379 CG LEU A 96 -1.258 -8.756 3.447 1.00 13.44 C ATOM 1380 CD1 LEU A 96 -0.046 -7.914 3.064 1.00 15.22 C ATOM 1381 CD2 LEU A 96 -1.826 -9.453 2.225 1.00 12.21 C ATOM 0 H LEU A 96 -0.323 -11.210 6.486 1.00 71.23 H new ATOM 0 HA LEU A 96 0.478 -8.587 5.641 1.00 0.23 H new ATOM 0 HB2 LEU A 96 -0.122 -10.444 4.123 1.00 34.54 H new ATOM 0 HB3 LEU A 96 -1.766 -10.400 4.727 1.00 34.54 H new ATOM 0 HG LEU A 96 -2.020 -8.091 3.855 1.00 13.44 H new ATOM 0 HD11 LEU A 96 -0.331 -7.193 2.298 1.00 15.22 H new ATOM 0 HD12 LEU A 96 0.321 -7.384 3.943 1.00 15.22 H new ATOM 0 HD13 LEU A 96 0.740 -8.563 2.677 1.00 15.22 H new ATOM 0 HD21 LEU A 96 -2.082 -8.711 1.469 1.00 12.21 H new ATOM 0 HD22 LEU A 96 -1.084 -10.141 1.821 1.00 12.21 H new ATOM 0 HD23 LEU A 96 -2.721 -10.009 2.506 1.00 12.21 H new ATOM 1389 N GLN A 97 -2.348 -9.039 7.286 1.00 4.32 N ATOM 1390 CA GLN A 97 -3.407 -8.405 8.066 1.00 32.23 C ATOM 1391 C GLN A 97 -2.799 -7.465 9.097 1.00 31.12 C ATOM 1392 O GLN A 97 -3.228 -6.328 9.233 1.00 3.22 O ATOM 1393 CB GLN A 97 -4.240 -9.479 8.767 1.00 34.33 C ATOM 1394 CG GLN A 97 -5.393 -8.947 9.595 1.00 11.23 C ATOM 1395 CD GLN A 97 -6.134 -10.049 10.322 1.00 53.35 C ATOM 1396 OE1 GLN A 97 -5.555 -11.074 10.686 1.00 15.44 O ATOM 1397 NE2 GLN A 97 -7.410 -9.859 10.535 1.00 52.00 N ATOM 0 H GLN A 97 -2.349 -10.057 7.357 1.00 4.32 H new ATOM 0 HA GLN A 97 -4.050 -7.830 7.399 1.00 32.23 H new ATOM 0 HB2 GLN A 97 -4.635 -10.161 8.015 1.00 34.33 H new ATOM 0 HB3 GLN A 97 -3.585 -10.063 9.414 1.00 34.33 H new ATOM 0 HG2 GLN A 97 -5.015 -8.227 10.320 1.00 11.23 H new ATOM 0 HG3 GLN A 97 -6.087 -8.412 8.947 1.00 11.23 H new ATOM 0 HE21 GLN A 97 -7.857 -8.998 10.220 1.00 52.00 H new ATOM 0 HE22 GLN A 97 -7.958 -10.572 11.016 1.00 52.00 H new ATOM 1405 N LYS A 98 -1.783 -7.961 9.810 1.00 25.33 N ATOM 1406 CA LYS A 98 -1.039 -7.167 10.790 1.00 53.01 C ATOM 1407 C LYS A 98 -0.496 -5.904 10.140 1.00 1.51 C ATOM 1408 O LYS A 98 -0.584 -4.806 10.696 1.00 44.43 O ATOM 1409 CB LYS A 98 0.130 -7.976 11.357 1.00 4.52 C ATOM 1410 CG LYS A 98 -0.263 -9.185 12.184 1.00 54.22 C ATOM 1411 CD LYS A 98 0.976 -9.938 12.628 1.00 23.14 C ATOM 1412 CE LYS A 98 0.649 -11.124 13.534 1.00 4.13 C ATOM 1413 NZ LYS A 98 0.002 -10.705 14.797 1.00 34.10 N ATOM 0 H LYS A 98 -1.454 -8.923 9.724 1.00 25.33 H new ATOM 0 HA LYS A 98 -1.720 -6.900 11.598 1.00 53.01 H new ATOM 0 HB2 LYS A 98 0.756 -8.310 10.529 1.00 4.52 H new ATOM 0 HB3 LYS A 98 0.742 -7.317 11.973 1.00 4.52 H new ATOM 0 HG2 LYS A 98 -0.837 -8.869 13.055 1.00 54.22 H new ATOM 0 HG3 LYS A 98 -0.907 -9.842 11.599 1.00 54.22 H new ATOM 0 HD2 LYS A 98 1.515 -10.294 11.750 1.00 23.14 H new ATOM 0 HD3 LYS A 98 1.642 -9.255 13.155 1.00 23.14 H new ATOM 0 HE2 LYS A 98 -0.008 -11.813 13.003 1.00 4.13 H new ATOM 0 HE3 LYS A 98 1.566 -11.668 13.761 1.00 4.13 H new ATOM 0 HZ1 LYS A 98 -0.016 -11.506 15.460 1.00 34.10 H new ATOM 0 HZ2 LYS A 98 0.538 -9.919 15.218 1.00 34.10 H new ATOM 0 HZ3 LYS A 98 -0.971 -10.395 14.602 1.00 34.10 H new ATOM 1427 N SER A 99 0.041 -6.074 8.955 1.00 13.22 N ATOM 1428 CA SER A 99 0.592 -4.992 8.193 1.00 34.33 C ATOM 1429 C SER A 99 -0.529 -3.992 7.763 1.00 24.13 C ATOM 1430 O SER A 99 -0.358 -2.767 7.852 1.00 61.23 O ATOM 1431 CB SER A 99 1.353 -5.570 6.987 1.00 24.13 C ATOM 1432 OG SER A 99 2.350 -6.490 7.416 1.00 32.45 O ATOM 0 H SER A 99 0.106 -6.981 8.492 1.00 13.22 H new ATOM 0 HA SER A 99 1.295 -4.425 8.803 1.00 34.33 H new ATOM 0 HB2 SER A 99 0.655 -6.070 6.315 1.00 24.13 H new ATOM 0 HB3 SER A 99 1.816 -4.762 6.421 1.00 24.13 H new ATOM 0 HG SER A 99 1.928 -7.342 7.654 1.00 32.45 H new ATOM 1438 N LEU A 100 -1.680 -4.527 7.334 1.00 61.33 N ATOM 1439 CA LEU A 100 -2.843 -3.707 6.945 1.00 14.31 C ATOM 1440 C LEU A 100 -3.329 -2.889 8.141 1.00 1.03 C ATOM 1441 O LEU A 100 -3.608 -1.684 8.034 1.00 72.02 O ATOM 1442 CB LEU A 100 -3.995 -4.600 6.444 1.00 53.45 C ATOM 1443 CG LEU A 100 -3.728 -5.463 5.202 1.00 3.52 C ATOM 1444 CD1 LEU A 100 -4.934 -6.338 4.899 1.00 31.53 C ATOM 1445 CD2 LEU A 100 -3.399 -4.595 4.000 1.00 10.14 C ATOM 0 H LEU A 100 -1.834 -5.531 7.246 1.00 61.33 H new ATOM 0 HA LEU A 100 -2.534 -3.038 6.141 1.00 14.31 H new ATOM 0 HB2 LEU A 100 -4.287 -5.263 7.259 1.00 53.45 H new ATOM 0 HB3 LEU A 100 -4.851 -3.959 6.232 1.00 53.45 H new ATOM 0 HG LEU A 100 -2.869 -6.101 5.410 1.00 3.52 H new ATOM 0 HD11 LEU A 100 -4.731 -6.944 4.016 1.00 31.53 H new ATOM 0 HD12 LEU A 100 -5.133 -6.990 5.749 1.00 31.53 H new ATOM 0 HD13 LEU A 100 -5.804 -5.708 4.714 1.00 31.53 H new ATOM 0 HD21 LEU A 100 -3.214 -5.229 3.133 1.00 10.14 H new ATOM 0 HD22 LEU A 100 -4.237 -3.930 3.791 1.00 10.14 H new ATOM 0 HD23 LEU A 100 -2.509 -4.002 4.212 1.00 10.14 H new ATOM 1453 N GLU A 101 -3.389 -3.554 9.275 1.00 20.42 N ATOM 1454 CA GLU A 101 -3.815 -2.959 10.546 1.00 71.31 C ATOM 1455 C GLU A 101 -2.906 -1.830 10.968 1.00 65.12 C ATOM 1456 O GLU A 101 -3.360 -0.817 11.523 1.00 14.30 O ATOM 1457 CB GLU A 101 -3.892 -4.021 11.645 1.00 1.31 C ATOM 1458 CG GLU A 101 -5.162 -4.875 11.645 1.00 43.34 C ATOM 1459 CD GLU A 101 -6.374 -4.105 12.157 1.00 4.32 C ATOM 1460 OE1 GLU A 101 -6.451 -3.856 13.382 1.00 24.11 O ATOM 1461 OE2 GLU A 101 -7.274 -3.768 11.370 1.00 71.12 O ATOM 0 H GLU A 101 -3.141 -4.540 9.352 1.00 20.42 H new ATOM 0 HA GLU A 101 -4.811 -2.543 10.391 1.00 71.31 H new ATOM 0 HB2 GLU A 101 -3.030 -4.682 11.549 1.00 1.31 H new ATOM 0 HB3 GLU A 101 -3.808 -3.525 12.612 1.00 1.31 H new ATOM 0 HG2 GLU A 101 -5.360 -5.229 10.633 1.00 43.34 H new ATOM 0 HG3 GLU A 101 -5.005 -5.757 12.266 1.00 43.34 H new ATOM 1468 N ALA A 102 -1.638 -1.990 10.693 1.00 70.10 N ATOM 1469 CA ALA A 102 -0.652 -1.000 11.024 1.00 22.33 C ATOM 1470 C ALA A 102 -0.830 0.272 10.181 1.00 53.12 C ATOM 1471 O ALA A 102 -0.592 1.385 10.662 1.00 13.23 O ATOM 1472 CB ALA A 102 0.733 -1.577 10.861 1.00 33.11 C ATOM 0 H ALA A 102 -1.260 -2.817 10.230 1.00 70.10 H new ATOM 0 HA ALA A 102 -0.787 -0.713 12.067 1.00 22.33 H new ATOM 0 HB1 ALA A 102 1.475 -0.820 11.114 1.00 33.11 H new ATOM 0 HB2 ALA A 102 0.850 -2.435 11.523 1.00 33.11 H new ATOM 0 HB3 ALA A 102 0.876 -1.894 9.828 1.00 33.11 H new ATOM 1478 N MET A 103 -1.271 0.113 8.925 1.00 22.50 N ATOM 1479 CA MET A 103 -1.505 1.275 8.065 1.00 53.41 C ATOM 1480 C MET A 103 -2.655 2.094 8.582 1.00 50.20 C ATOM 1481 O MET A 103 -2.585 3.314 8.595 1.00 22.52 O ATOM 1482 CB MET A 103 -1.749 0.915 6.598 1.00 12.14 C ATOM 1483 CG MET A 103 -0.586 0.242 5.914 1.00 60.33 C ATOM 1484 SD MET A 103 -0.826 0.070 4.129 1.00 12.23 S ATOM 1485 CE MET A 103 -2.322 -0.899 4.048 1.00 1.21 C ATOM 0 H MET A 103 -1.468 -0.789 8.492 1.00 22.50 H new ATOM 0 HA MET A 103 -0.584 1.858 8.098 1.00 53.41 H new ATOM 0 HB2 MET A 103 -2.617 0.259 6.538 1.00 12.14 H new ATOM 0 HB3 MET A 103 -1.998 1.824 6.051 1.00 12.14 H new ATOM 0 HG2 MET A 103 0.321 0.817 6.100 1.00 60.33 H new ATOM 0 HG3 MET A 103 -0.434 -0.744 6.352 1.00 60.33 H new ATOM 0 HE1 MET A 103 -2.189 -1.715 3.337 1.00 1.21 H new ATOM 0 HE2 MET A 103 -2.544 -1.309 5.033 1.00 1.21 H new ATOM 0 HE3 MET A 103 -3.148 -0.266 3.724 1.00 1.21 H new ATOM 1495 N LYS A 104 -3.705 1.410 9.016 1.00 63.21 N ATOM 1496 CA LYS A 104 -4.887 2.051 9.607 1.00 54.20 C ATOM 1497 C LYS A 104 -4.489 2.914 10.745 1.00 14.53 C ATOM 1498 O LYS A 104 -4.764 4.113 10.765 1.00 0.43 O ATOM 1499 CB LYS A 104 -5.783 1.000 10.155 1.00 52.23 C ATOM 1500 CG LYS A 104 -6.386 0.132 9.140 1.00 61.21 C ATOM 1501 CD LYS A 104 -7.115 -0.999 9.775 1.00 43.35 C ATOM 1502 CE LYS A 104 -8.065 -0.540 10.851 1.00 4.42 C ATOM 1503 NZ LYS A 104 -8.921 -1.640 11.313 1.00 31.10 N ATOM 0 H LYS A 104 -3.768 0.393 8.971 1.00 63.21 H new ATOM 0 HA LYS A 104 -5.381 2.641 8.835 1.00 54.20 H new ATOM 0 HB2 LYS A 104 -5.216 0.384 10.853 1.00 52.23 H new ATOM 0 HB3 LYS A 104 -6.579 1.479 10.726 1.00 52.23 H new ATOM 0 HG2 LYS A 104 -7.072 0.711 8.522 1.00 61.21 H new ATOM 0 HG3 LYS A 104 -5.610 -0.255 8.479 1.00 61.21 H new ATOM 0 HD2 LYS A 104 -7.671 -1.543 9.012 1.00 43.35 H new ATOM 0 HD3 LYS A 104 -6.395 -1.697 10.203 1.00 43.35 H new ATOM 0 HE2 LYS A 104 -7.499 -0.139 11.692 1.00 4.42 H new ATOM 0 HE3 LYS A 104 -8.686 0.271 10.469 1.00 4.42 H new ATOM 0 HZ1 LYS A 104 -9.587 -1.285 12.029 1.00 31.10 H new ATOM 0 HZ2 LYS A 104 -9.453 -2.028 10.508 1.00 31.10 H new ATOM 0 HZ3 LYS A 104 -8.331 -2.388 11.730 1.00 31.10 H new ATOM 1517 N SER A 105 -3.829 2.284 11.676 1.00 32.11 N ATOM 1518 CA SER A 105 -3.304 2.940 12.869 1.00 52.14 C ATOM 1519 C SER A 105 -2.491 4.198 12.499 1.00 61.32 C ATOM 1520 O SER A 105 -2.746 5.281 13.036 1.00 63.44 O ATOM 1521 CB SER A 105 -2.419 1.947 13.657 1.00 1.01 C ATOM 1522 OG SER A 105 -1.907 2.521 14.856 1.00 43.10 O ATOM 0 H SER A 105 -3.631 1.284 11.639 1.00 32.11 H new ATOM 0 HA SER A 105 -4.143 3.254 13.490 1.00 52.14 H new ATOM 0 HB2 SER A 105 -3.001 1.058 13.901 1.00 1.01 H new ATOM 0 HB3 SER A 105 -1.590 1.623 13.028 1.00 1.01 H new ATOM 0 HG SER A 105 -1.355 1.861 15.325 1.00 43.10 H new ATOM 1528 N HIS A 106 -1.562 4.070 11.558 1.00 61.23 N ATOM 1529 CA HIS A 106 -0.756 5.218 11.140 1.00 12.22 C ATOM 1530 C HIS A 106 -1.619 6.312 10.481 1.00 14.04 C ATOM 1531 O HIS A 106 -1.432 7.509 10.742 1.00 13.23 O ATOM 1532 CB HIS A 106 0.385 4.790 10.193 1.00 62.22 C ATOM 1533 CG HIS A 106 1.220 5.946 9.701 1.00 34.32 C ATOM 1534 ND1 HIS A 106 0.968 6.595 8.510 1.00 11.31 N ATOM 1535 CD2 HIS A 106 2.280 6.580 10.248 1.00 13.32 C ATOM 1536 CE1 HIS A 106 1.815 7.568 8.349 1.00 23.12 C ATOM 1537 NE2 HIS A 106 2.631 7.585 9.386 1.00 74.14 N ATOM 0 H HIS A 106 -1.348 3.198 11.075 1.00 61.23 H new ATOM 0 HA HIS A 106 -0.312 5.638 12.043 1.00 12.22 H new ATOM 0 HB2 HIS A 106 1.030 4.080 10.711 1.00 62.22 H new ATOM 0 HB3 HIS A 106 -0.041 4.268 9.336 1.00 62.22 H new ATOM 0 HD1 HIS A 106 0.227 6.348 7.853 1.00 11.31 H new ATOM 0 HD2 HIS A 106 2.759 6.340 11.186 1.00 13.32 H new ATOM 0 HE1 HIS A 106 1.846 8.247 7.510 1.00 23.12 H new ATOM 1546 N CYS A 107 -2.549 5.907 9.642 1.00 34.44 N ATOM 1547 CA CYS A 107 -3.396 6.849 8.933 1.00 0.33 C ATOM 1548 C CYS A 107 -4.290 7.625 9.879 1.00 44.24 C ATOM 1549 O CYS A 107 -4.416 8.829 9.742 1.00 33.45 O ATOM 1550 CB CYS A 107 -4.222 6.155 7.862 1.00 15.24 C ATOM 1551 SG CYS A 107 -3.239 5.342 6.588 1.00 1.01 S ATOM 0 H CYS A 107 -2.740 4.927 9.432 1.00 34.44 H new ATOM 0 HA CYS A 107 -2.735 7.563 8.442 1.00 0.33 H new ATOM 0 HB2 CYS A 107 -4.866 5.415 8.337 1.00 15.24 H new ATOM 0 HB3 CYS A 107 -4.875 6.889 7.389 1.00 15.24 H new ATOM 0 HG CYS A 107 -2.626 4.317 7.101 1.00 1.01 H new ATOM 1557 N LEU A 108 -4.870 6.939 10.856 1.00 43.52 N ATOM 1558 CA LEU A 108 -5.751 7.576 11.837 1.00 60.43 C ATOM 1559 C LEU A 108 -5.017 8.661 12.619 1.00 42.02 C ATOM 1560 O LEU A 108 -5.598 9.697 12.964 1.00 41.41 O ATOM 1561 CB LEU A 108 -6.334 6.538 12.807 1.00 65.34 C ATOM 1562 CG LEU A 108 -7.193 5.430 12.184 1.00 61.42 C ATOM 1563 CD1 LEU A 108 -7.677 4.465 13.253 1.00 13.22 C ATOM 1564 CD2 LEU A 108 -8.371 6.018 11.420 1.00 0.21 C ATOM 0 H LEU A 108 -4.747 5.936 10.994 1.00 43.52 H new ATOM 0 HA LEU A 108 -6.568 8.041 11.286 1.00 60.43 H new ATOM 0 HB2 LEU A 108 -5.509 6.070 13.343 1.00 65.34 H new ATOM 0 HB3 LEU A 108 -6.938 7.063 13.547 1.00 65.34 H new ATOM 0 HG LEU A 108 -6.573 4.879 11.477 1.00 61.42 H new ATOM 0 HD11 LEU A 108 -8.285 3.686 12.792 1.00 13.22 H new ATOM 0 HD12 LEU A 108 -6.819 4.010 13.748 1.00 13.22 H new ATOM 0 HD13 LEU A 108 -8.275 5.005 13.987 1.00 13.22 H new ATOM 0 HD21 LEU A 108 -8.964 5.212 10.988 1.00 0.21 H new ATOM 0 HD22 LEU A 108 -8.992 6.600 12.101 1.00 0.21 H new ATOM 0 HD23 LEU A 108 -8.002 6.664 10.623 1.00 0.21 H new ATOM 1572 N LYS A 109 -3.745 8.427 12.878 1.00 24.55 N ATOM 1573 CA LYS A 109 -2.923 9.375 13.610 1.00 73.43 C ATOM 1574 C LYS A 109 -2.598 10.593 12.751 1.00 32.23 C ATOM 1575 O LYS A 109 -2.704 11.726 13.200 1.00 34.30 O ATOM 1576 CB LYS A 109 -1.606 8.723 14.048 1.00 5.23 C ATOM 1577 CG LYS A 109 -1.739 7.499 14.939 1.00 63.53 C ATOM 1578 CD LYS A 109 -2.404 7.813 16.264 1.00 32.11 C ATOM 1579 CE LYS A 109 -2.469 6.572 17.135 1.00 44.22 C ATOM 1580 NZ LYS A 109 -3.072 6.842 18.454 1.00 44.12 N ATOM 0 H LYS A 109 -3.254 7.581 12.590 1.00 24.55 H new ATOM 0 HA LYS A 109 -3.491 9.688 14.486 1.00 73.43 H new ATOM 0 HB2 LYS A 109 -1.048 8.441 13.155 1.00 5.23 H new ATOM 0 HB3 LYS A 109 -1.010 9.469 14.574 1.00 5.23 H new ATOM 0 HG2 LYS A 109 -2.317 6.736 14.418 1.00 63.53 H new ATOM 0 HG3 LYS A 109 -0.750 7.079 15.123 1.00 63.53 H new ATOM 0 HD2 LYS A 109 -1.849 8.597 16.779 1.00 32.11 H new ATOM 0 HD3 LYS A 109 -3.410 8.196 16.091 1.00 32.11 H new ATOM 0 HE2 LYS A 109 -3.048 5.803 16.624 1.00 44.22 H new ATOM 0 HE3 LYS A 109 -1.463 6.175 17.273 1.00 44.22 H new ATOM 0 HZ1 LYS A 109 -3.094 5.964 19.012 1.00 44.12 H new ATOM 0 HZ2 LYS A 109 -2.506 7.556 18.955 1.00 44.12 H new ATOM 0 HZ3 LYS A 109 -4.042 7.196 18.327 1.00 44.12 H new ATOM 1594 N ASN A 110 -2.210 10.353 11.509 1.00 43.43 N ATOM 1595 CA ASN A 110 -1.761 11.455 10.631 1.00 72.13 C ATOM 1596 C ASN A 110 -2.904 12.126 9.884 1.00 54.23 C ATOM 1597 O ASN A 110 -2.740 13.215 9.350 1.00 51.42 O ATOM 1598 CB ASN A 110 -0.705 10.987 9.607 1.00 51.20 C ATOM 1599 CG ASN A 110 0.642 10.555 10.189 1.00 1.11 C ATOM 1600 OD1 ASN A 110 0.659 9.951 11.344 1.00 0.34 O flip ATOM 1601 ND2 ASN A 110 1.661 10.737 9.561 1.00 1.50 N flip ATOM 0 H ASN A 110 -2.191 9.428 11.079 1.00 43.43 H new ATOM 0 HA ASN A 110 -1.315 12.186 11.306 1.00 72.13 H new ATOM 0 HB2 ASN A 110 -1.120 10.152 9.042 1.00 51.20 H new ATOM 0 HB3 ASN A 110 -0.530 11.796 8.898 1.00 51.20 H new ATOM 0 HD21 ASN A 110 1.626 11.212 8.659 1.00 1.50 H new ATOM 0 HD22 ASN A 110 2.554 10.416 9.934 1.00 1.50 H new ATOM 1607 N GLY A 111 -4.043 11.489 9.839 1.00 10.22 N ATOM 1608 CA GLY A 111 -5.171 12.053 9.126 1.00 21.31 C ATOM 1609 C GLY A 111 -5.190 11.611 7.672 1.00 3.21 C ATOM 1610 O GLY A 111 -5.915 12.179 6.843 1.00 0.42 O ATOM 0 H GLY A 111 -4.220 10.587 10.281 1.00 10.22 H new ATOM 0 HA2 GLY A 111 -6.098 11.749 9.612 1.00 21.31 H new ATOM 0 HA3 GLY A 111 -5.127 13.141 9.176 1.00 21.31 H new ATOM 1614 N VAL A 112 -4.391 10.598 7.366 1.00 51.44 N ATOM 1615 CA VAL A 112 -4.322 10.048 6.020 1.00 63.31 C ATOM 1616 C VAL A 112 -5.636 9.338 5.714 1.00 15.02 C ATOM 1617 O VAL A 112 -6.075 8.471 6.470 1.00 24.21 O ATOM 1618 CB VAL A 112 -3.092 9.098 5.833 1.00 11.42 C ATOM 1619 CG1 VAL A 112 -3.078 8.485 4.439 1.00 2.35 C ATOM 1620 CG2 VAL A 112 -1.811 9.882 6.056 1.00 60.00 C ATOM 0 H VAL A 112 -3.777 10.138 8.038 1.00 51.44 H new ATOM 0 HA VAL A 112 -4.177 10.863 5.311 1.00 63.31 H new ATOM 0 HB VAL A 112 -3.167 8.290 6.561 1.00 11.42 H new ATOM 0 HG11 VAL A 112 -2.213 7.830 4.338 1.00 2.35 H new ATOM 0 HG12 VAL A 112 -3.990 7.908 4.286 1.00 2.35 H new ATOM 0 HG13 VAL A 112 -3.022 9.278 3.693 1.00 2.35 H new ATOM 0 HG21 VAL A 112 -0.953 9.222 5.926 1.00 60.00 H new ATOM 0 HG22 VAL A 112 -1.754 10.698 5.335 1.00 60.00 H new ATOM 0 HG23 VAL A 112 -1.805 10.290 7.067 1.00 60.00 H new ATOM 1626 N THR A 113 -6.271 9.740 4.649 1.00 13.40 N ATOM 1627 CA THR A 113 -7.589 9.258 4.327 1.00 42.21 C ATOM 1628 C THR A 113 -7.603 8.473 2.989 1.00 65.04 C ATOM 1629 O THR A 113 -8.389 7.531 2.811 1.00 42.23 O ATOM 1630 CB THR A 113 -8.550 10.474 4.265 1.00 74.34 C ATOM 1631 OG1 THR A 113 -8.411 11.234 5.487 1.00 43.14 O ATOM 1632 CG2 THR A 113 -9.994 10.039 4.132 1.00 61.34 C ATOM 0 H THR A 113 -5.892 10.410 3.979 1.00 13.40 H new ATOM 0 HA THR A 113 -7.915 8.561 5.099 1.00 42.21 H new ATOM 0 HB THR A 113 -8.289 11.072 3.392 1.00 74.34 H new ATOM 0 HG1 THR A 113 -9.012 12.008 5.461 1.00 43.14 H new ATOM 0 HG21 THR A 113 -10.637 10.918 4.092 1.00 61.34 H new ATOM 0 HG22 THR A 113 -10.116 9.458 3.218 1.00 61.34 H new ATOM 0 HG23 THR A 113 -10.270 9.427 4.991 1.00 61.34 H new ATOM 1638 N ASP A 114 -6.725 8.840 2.076 1.00 45.41 N ATOM 1639 CA ASP A 114 -6.658 8.195 0.766 1.00 44.02 C ATOM 1640 C ASP A 114 -5.519 7.209 0.727 1.00 35.32 C ATOM 1641 O ASP A 114 -4.375 7.549 1.074 1.00 61.23 O ATOM 1642 CB ASP A 114 -6.459 9.220 -0.357 1.00 54.14 C ATOM 1643 CG ASP A 114 -7.573 10.217 -0.491 1.00 65.04 C ATOM 1644 OD1 ASP A 114 -8.611 9.898 -1.120 1.00 74.24 O ATOM 1645 OD2 ASP A 114 -7.415 11.359 -0.008 1.00 52.24 O ATOM 0 H ASP A 114 -6.042 9.585 2.212 1.00 45.41 H new ATOM 0 HA ASP A 114 -7.606 7.681 0.610 1.00 44.02 H new ATOM 0 HB2 ASP A 114 -5.527 9.757 -0.182 1.00 54.14 H new ATOM 0 HB3 ASP A 114 -6.348 8.688 -1.302 1.00 54.14 H new ATOM 1650 N LEU A 115 -5.808 6.005 0.306 1.00 11.11 N ATOM 1651 CA LEU A 115 -4.813 4.970 0.244 1.00 10.44 C ATOM 1652 C LEU A 115 -4.848 4.374 -1.169 1.00 53.43 C ATOM 1653 O LEU A 115 -5.919 3.979 -1.658 1.00 24.42 O ATOM 1654 CB LEU A 115 -5.186 3.873 1.262 1.00 1.31 C ATOM 1655 CG LEU A 115 -4.078 2.955 1.817 1.00 14.01 C ATOM 1656 CD1 LEU A 115 -3.270 2.294 0.740 1.00 2.55 C ATOM 1657 CD2 LEU A 115 -3.193 3.696 2.794 1.00 44.35 C ATOM 0 H LEU A 115 -6.737 5.717 -0.002 1.00 11.11 H new ATOM 0 HA LEU A 115 -3.822 5.363 0.470 1.00 10.44 H new ATOM 0 HB2 LEU A 115 -5.663 4.362 2.111 1.00 1.31 H new ATOM 0 HB3 LEU A 115 -5.938 3.236 0.797 1.00 1.31 H new ATOM 0 HG LEU A 115 -4.583 2.152 2.355 1.00 14.01 H new ATOM 0 HD11 LEU A 115 -2.507 1.662 1.194 1.00 2.55 H new ATOM 0 HD12 LEU A 115 -3.924 1.684 0.117 1.00 2.55 H new ATOM 0 HD13 LEU A 115 -2.791 3.056 0.125 1.00 2.55 H new ATOM 0 HD21 LEU A 115 -2.421 3.023 3.168 1.00 44.35 H new ATOM 0 HD22 LEU A 115 -2.724 4.542 2.291 1.00 44.35 H new ATOM 0 HD23 LEU A 115 -3.795 4.058 3.628 1.00 44.35 H new ATOM 1665 N SER A 116 -3.724 4.330 -1.820 1.00 43.41 N ATOM 1666 CA SER A 116 -3.625 3.719 -3.117 1.00 44.03 C ATOM 1667 C SER A 116 -2.628 2.578 -3.089 1.00 52.44 C ATOM 1668 O SER A 116 -1.540 2.706 -2.529 1.00 51.44 O ATOM 1669 CB SER A 116 -3.226 4.739 -4.156 1.00 60.40 C ATOM 1670 OG SER A 116 -4.197 5.758 -4.259 1.00 54.23 O ATOM 0 H SER A 116 -2.848 4.716 -1.469 1.00 43.41 H new ATOM 0 HA SER A 116 -4.604 3.320 -3.384 1.00 44.03 H new ATOM 0 HB2 SER A 116 -2.262 5.175 -3.893 1.00 60.40 H new ATOM 0 HB3 SER A 116 -3.102 4.250 -5.122 1.00 60.40 H new ATOM 0 HG SER A 116 -3.930 6.396 -4.953 1.00 54.23 H new ATOM 1676 N MET A 117 -2.992 1.474 -3.677 1.00 60.44 N ATOM 1677 CA MET A 117 -2.138 0.314 -3.706 1.00 70.42 C ATOM 1678 C MET A 117 -2.373 -0.446 -5.005 1.00 15.42 C ATOM 1679 O MET A 117 -3.400 -0.245 -5.653 1.00 13.20 O ATOM 1680 CB MET A 117 -2.440 -0.603 -2.489 1.00 24.12 C ATOM 1681 CG MET A 117 -3.849 -1.180 -2.473 1.00 15.12 C ATOM 1682 SD MET A 117 -4.183 -2.242 -1.047 1.00 23.51 S ATOM 1683 CE MET A 117 -3.989 -1.096 0.315 1.00 53.31 C ATOM 0 H MET A 117 -3.887 1.350 -4.150 1.00 60.44 H new ATOM 0 HA MET A 117 -1.096 0.629 -3.651 1.00 70.42 H new ATOM 0 HB2 MET A 117 -1.724 -1.424 -2.481 1.00 24.12 H new ATOM 0 HB3 MET A 117 -2.283 -0.034 -1.573 1.00 24.12 H new ATOM 0 HG2 MET A 117 -4.568 -0.361 -2.481 1.00 15.12 H new ATOM 0 HG3 MET A 117 -4.008 -1.753 -3.387 1.00 15.12 H new ATOM 0 HE1 MET A 117 -4.218 -1.603 1.252 1.00 53.31 H new ATOM 0 HE2 MET A 117 -2.962 -0.732 0.341 1.00 53.31 H new ATOM 0 HE3 MET A 117 -4.669 -0.254 0.182 1.00 53.31 H new ATOM 1693 N PRO A 118 -1.423 -1.271 -5.442 1.00 55.13 N ATOM 1694 CA PRO A 118 -1.625 -2.142 -6.577 1.00 75.21 C ATOM 1695 C PRO A 118 -2.209 -3.461 -6.080 1.00 22.31 C ATOM 1696 O PRO A 118 -2.707 -3.543 -4.947 1.00 22.42 O ATOM 1697 CB PRO A 118 -0.196 -2.380 -7.077 1.00 60.25 C ATOM 1698 CG PRO A 118 0.663 -2.288 -5.857 1.00 72.45 C ATOM 1699 CD PRO A 118 -0.069 -1.417 -4.867 1.00 32.40 C ATOM 0 HA PRO A 118 -2.293 -1.738 -7.338 1.00 75.21 H new ATOM 0 HB2 PRO A 118 -0.102 -3.356 -7.553 1.00 60.25 H new ATOM 0 HB3 PRO A 118 0.091 -1.635 -7.819 1.00 60.25 H new ATOM 0 HG2 PRO A 118 0.846 -3.278 -5.439 1.00 72.45 H new ATOM 0 HG3 PRO A 118 1.636 -1.861 -6.101 1.00 72.45 H new ATOM 0 HD2 PRO A 118 -0.103 -1.878 -3.880 1.00 32.40 H new ATOM 0 HD3 PRO A 118 0.420 -0.450 -4.750 1.00 32.40 H new ATOM 1707 N ARG A 119 -2.157 -4.477 -6.893 1.00 43.45 N ATOM 1708 CA ARG A 119 -2.556 -5.775 -6.450 1.00 55.31 C ATOM 1709 C ARG A 119 -1.438 -6.380 -5.623 1.00 55.32 C ATOM 1710 O ARG A 119 -0.463 -6.921 -6.162 1.00 33.54 O ATOM 1711 CB ARG A 119 -2.920 -6.690 -7.608 1.00 71.14 C ATOM 1712 CG ARG A 119 -4.120 -6.235 -8.402 1.00 52.33 C ATOM 1713 CD ARG A 119 -4.495 -7.262 -9.444 1.00 24.30 C ATOM 1714 NE ARG A 119 -3.388 -7.552 -10.364 1.00 34.44 N ATOM 1715 CZ ARG A 119 -3.477 -8.347 -11.437 1.00 20.43 C ATOM 1716 NH1 ARG A 119 -4.630 -8.924 -11.750 1.00 14.32 N ATOM 1717 NH2 ARG A 119 -2.407 -8.569 -12.182 1.00 52.02 N ATOM 0 H ARG A 119 -1.843 -4.429 -7.862 1.00 43.45 H new ATOM 0 HA ARG A 119 -3.454 -5.669 -5.841 1.00 55.31 H new ATOM 0 HB2 ARG A 119 -2.064 -6.768 -8.278 1.00 71.14 H new ATOM 0 HB3 ARG A 119 -3.113 -7.690 -7.220 1.00 71.14 H new ATOM 0 HG2 ARG A 119 -4.963 -6.066 -7.731 1.00 52.33 H new ATOM 0 HG3 ARG A 119 -3.902 -5.283 -8.886 1.00 52.33 H new ATOM 0 HD2 ARG A 119 -4.804 -8.183 -8.949 1.00 24.30 H new ATOM 0 HD3 ARG A 119 -5.353 -6.903 -10.013 1.00 24.30 H new ATOM 0 HE ARG A 119 -2.486 -7.116 -10.171 1.00 34.44 H new ATOM 0 HH11 ARG A 119 -5.455 -8.763 -11.172 1.00 14.32 H new ATOM 0 HH12 ARG A 119 -4.692 -9.529 -12.569 1.00 14.32 H new ATOM 0 HH21 ARG A 119 -1.517 -8.135 -11.938 1.00 52.02 H new ATOM 0 HH22 ARG A 119 -2.472 -9.174 -13.000 1.00 52.02 H new ATOM 1729 N ILE A 120 -1.541 -6.214 -4.337 1.00 54.40 N ATOM 1730 CA ILE A 120 -0.552 -6.714 -3.424 1.00 24.22 C ATOM 1731 C ILE A 120 -0.825 -8.163 -3.086 1.00 14.03 C ATOM 1732 O ILE A 120 -1.964 -8.638 -3.204 1.00 54.43 O ATOM 1733 CB ILE A 120 -0.492 -5.872 -2.118 1.00 24.55 C ATOM 1734 CG1 ILE A 120 -1.837 -5.902 -1.367 1.00 42.42 C ATOM 1735 CG2 ILE A 120 -0.097 -4.440 -2.440 1.00 44.13 C ATOM 1736 CD1 ILE A 120 -1.820 -5.164 -0.042 1.00 60.14 C ATOM 0 H ILE A 120 -2.316 -5.726 -3.889 1.00 54.40 H new ATOM 0 HA ILE A 120 0.415 -6.635 -3.921 1.00 24.22 H new ATOM 0 HB ILE A 120 0.262 -6.313 -1.465 1.00 24.55 H new ATOM 0 HG12 ILE A 120 -2.607 -5.467 -2.004 1.00 42.42 H new ATOM 0 HG13 ILE A 120 -2.119 -6.940 -1.190 1.00 42.42 H new ATOM 0 HG21 ILE A 120 -0.058 -3.858 -1.519 1.00 44.13 H new ATOM 0 HG22 ILE A 120 0.883 -4.431 -2.917 1.00 44.13 H new ATOM 0 HG23 ILE A 120 -0.833 -4.003 -3.115 1.00 44.13 H new ATOM 0 HD11 ILE A 120 -2.803 -5.231 0.425 1.00 60.14 H new ATOM 0 HD12 ILE A 120 -1.075 -5.613 0.615 1.00 60.14 H new ATOM 0 HD13 ILE A 120 -1.570 -4.117 -0.212 1.00 60.14 H new ATOM 1743 N GLY A 121 0.211 -8.876 -2.724 1.00 24.31 N ATOM 1744 CA GLY A 121 0.070 -10.247 -2.325 1.00 32.51 C ATOM 1745 C GLY A 121 -0.035 -11.207 -3.494 1.00 23.24 C ATOM 1746 O GLY A 121 0.092 -12.404 -3.326 1.00 30.53 O ATOM 0 H GLY A 121 1.168 -8.523 -2.699 1.00 24.31 H new ATOM 0 HA2 GLY A 121 0.924 -10.528 -1.709 1.00 32.51 H new ATOM 0 HA3 GLY A 121 -0.819 -10.347 -1.702 1.00 32.51 H new ATOM 1750 N CYS A 122 -0.205 -10.682 -4.671 1.00 4.54 N ATOM 1751 CA CYS A 122 -0.513 -11.493 -5.822 1.00 44.30 C ATOM 1752 C CYS A 122 0.724 -12.028 -6.533 1.00 51.23 C ATOM 1753 O CYS A 122 0.645 -13.020 -7.272 1.00 31.35 O ATOM 1754 CB CYS A 122 -1.351 -10.677 -6.780 1.00 41.32 C ATOM 1755 SG CYS A 122 -2.842 -9.996 -6.030 1.00 52.14 S ATOM 0 H CYS A 122 -0.135 -9.683 -4.865 1.00 4.54 H new ATOM 0 HA CYS A 122 -1.061 -12.367 -5.471 1.00 44.30 H new ATOM 0 HB2 CYS A 122 -0.746 -9.860 -7.174 1.00 41.32 H new ATOM 0 HB3 CYS A 122 -1.633 -11.302 -7.627 1.00 41.32 H new ATOM 0 HG CYS A 122 -2.535 -9.405 -4.913 1.00 52.14 H new ATOM 1761 N GLY A 123 1.848 -11.396 -6.322 1.00 24.01 N ATOM 1762 CA GLY A 123 3.035 -11.801 -7.031 1.00 12.44 C ATOM 1763 C GLY A 123 3.931 -12.685 -6.217 1.00 15.21 C ATOM 1764 O GLY A 123 3.621 -13.852 -5.991 1.00 43.23 O ATOM 0 H GLY A 123 1.968 -10.614 -5.678 1.00 24.01 H new ATOM 0 HA2 GLY A 123 2.746 -12.326 -7.942 1.00 12.44 H new ATOM 0 HA3 GLY A 123 3.589 -10.914 -7.337 1.00 12.44 H new ATOM 1768 N LEU A 124 5.018 -12.109 -5.740 1.00 52.22 N ATOM 1769 CA LEU A 124 6.049 -12.839 -4.987 1.00 63.24 C ATOM 1770 C LEU A 124 5.526 -13.321 -3.641 1.00 30.43 C ATOM 1771 O LEU A 124 6.110 -14.209 -3.016 1.00 1.14 O ATOM 1772 CB LEU A 124 7.324 -11.973 -4.778 1.00 50.41 C ATOM 1773 CG LEU A 124 8.184 -11.606 -6.024 1.00 32.41 C ATOM 1774 CD1 LEU A 124 7.432 -10.731 -7.027 1.00 5.25 C ATOM 1775 CD2 LEU A 124 9.474 -10.925 -5.592 1.00 12.33 C ATOM 0 H LEU A 124 5.222 -11.117 -5.859 1.00 52.22 H new ATOM 0 HA LEU A 124 6.315 -13.710 -5.586 1.00 63.24 H new ATOM 0 HB2 LEU A 124 7.018 -11.042 -4.300 1.00 50.41 H new ATOM 0 HB3 LEU A 124 7.969 -12.497 -4.072 1.00 50.41 H new ATOM 0 HG LEU A 124 8.418 -12.541 -6.534 1.00 32.41 H new ATOM 0 HD11 LEU A 124 8.081 -10.508 -7.874 1.00 5.25 H new ATOM 0 HD12 LEU A 124 6.546 -11.260 -7.379 1.00 5.25 H new ATOM 0 HD13 LEU A 124 7.132 -9.801 -6.545 1.00 5.25 H new ATOM 0 HD21 LEU A 124 10.065 -10.674 -6.473 1.00 12.33 H new ATOM 0 HD22 LEU A 124 9.238 -10.014 -5.042 1.00 12.33 H new ATOM 0 HD23 LEU A 124 10.044 -11.598 -4.952 1.00 12.33 H new ATOM 1783 N ASP A 125 4.433 -12.729 -3.212 1.00 11.30 N ATOM 1784 CA ASP A 125 3.810 -13.040 -1.937 1.00 75.22 C ATOM 1785 C ASP A 125 3.054 -14.368 -2.037 1.00 31.00 C ATOM 1786 O ASP A 125 2.747 -14.998 -1.031 1.00 70.42 O ATOM 1787 CB ASP A 125 2.824 -11.950 -1.576 1.00 14.20 C ATOM 1788 CG ASP A 125 3.368 -10.551 -1.787 1.00 14.21 C ATOM 1789 OD1 ASP A 125 3.295 -10.066 -2.947 1.00 23.21 O ATOM 1790 OD2 ASP A 125 3.852 -9.924 -0.827 1.00 73.23 O ATOM 0 H ASP A 125 3.943 -12.009 -3.743 1.00 11.30 H new ATOM 0 HA ASP A 125 4.585 -13.113 -1.174 1.00 75.22 H new ATOM 0 HB2 ASP A 125 1.921 -12.075 -2.174 1.00 14.20 H new ATOM 0 HB3 ASP A 125 2.533 -12.065 -0.532 1.00 14.20 H new ATOM 1795 N ARG A 126 2.732 -14.766 -3.281 1.00 33.21 N ATOM 1796 CA ARG A 126 2.084 -16.056 -3.594 1.00 4.53 C ATOM 1797 C ARG A 126 0.653 -16.181 -3.038 1.00 73.44 C ATOM 1798 O ARG A 126 0.098 -17.287 -2.971 1.00 44.33 O ATOM 1799 CB ARG A 126 2.935 -17.192 -3.073 1.00 44.41 C ATOM 1800 CG ARG A 126 4.332 -17.185 -3.629 1.00 61.12 C ATOM 1801 CD ARG A 126 5.108 -18.276 -3.010 1.00 45.04 C ATOM 1802 NE ARG A 126 6.529 -18.230 -3.364 1.00 15.33 N ATOM 1803 CZ ARG A 126 7.492 -18.900 -2.717 1.00 23.15 C ATOM 1804 NH1 ARG A 126 7.180 -19.702 -1.706 1.00 20.01 N ATOM 1805 NH2 ARG A 126 8.760 -18.775 -3.101 1.00 35.32 N ATOM 0 H ARG A 126 2.916 -14.196 -4.107 1.00 33.21 H new ATOM 0 HA ARG A 126 1.998 -16.104 -4.680 1.00 4.53 H new ATOM 0 HB2 ARG A 126 2.983 -17.133 -1.986 1.00 44.41 H new ATOM 0 HB3 ARG A 126 2.457 -18.140 -3.320 1.00 44.41 H new ATOM 0 HG2 ARG A 126 4.306 -17.311 -4.711 1.00 61.12 H new ATOM 0 HG3 ARG A 126 4.810 -16.226 -3.431 1.00 61.12 H new ATOM 0 HD2 ARG A 126 5.006 -18.220 -1.926 1.00 45.04 H new ATOM 0 HD3 ARG A 126 4.691 -19.234 -3.320 1.00 45.04 H new ATOM 0 HE ARG A 126 6.803 -17.649 -4.156 1.00 15.33 H new ATOM 0 HH11 ARG A 126 6.206 -19.809 -1.421 1.00 20.01 H new ATOM 0 HH12 ARG A 126 7.914 -20.212 -1.214 1.00 20.01 H new ATOM 0 HH21 ARG A 126 8.998 -18.170 -3.887 1.00 35.32 H new ATOM 0 HH22 ARG A 126 9.494 -19.284 -2.609 1.00 35.32 H new ATOM 1817 N LEU A 127 0.046 -15.071 -2.696 1.00 61.42 N ATOM 1818 CA LEU A 127 -1.275 -15.064 -2.084 1.00 5.25 C ATOM 1819 C LEU A 127 -2.348 -14.790 -3.148 1.00 63.11 C ATOM 1820 O LEU A 127 -2.068 -14.197 -4.187 1.00 11.45 O ATOM 1821 CB LEU A 127 -1.327 -13.980 -0.995 1.00 2.25 C ATOM 1822 CG LEU A 127 -0.234 -14.053 0.089 1.00 43.40 C ATOM 1823 CD1 LEU A 127 -0.378 -12.913 1.080 1.00 63.44 C ATOM 1824 CD2 LEU A 127 -0.260 -15.390 0.808 1.00 20.15 C ATOM 0 H LEU A 127 0.448 -14.143 -2.831 1.00 61.42 H new ATOM 0 HA LEU A 127 -1.469 -16.038 -1.635 1.00 5.25 H new ATOM 0 HB2 LEU A 127 -1.266 -13.005 -1.479 1.00 2.25 H new ATOM 0 HB3 LEU A 127 -2.299 -14.032 -0.505 1.00 2.25 H new ATOM 0 HG LEU A 127 0.731 -13.957 -0.408 1.00 43.40 H new ATOM 0 HD11 LEU A 127 0.405 -12.986 1.835 1.00 63.44 H new ATOM 0 HD12 LEU A 127 -0.288 -11.962 0.556 1.00 63.44 H new ATOM 0 HD13 LEU A 127 -1.354 -12.971 1.562 1.00 63.44 H new ATOM 0 HD21 LEU A 127 0.523 -15.411 1.566 1.00 20.15 H new ATOM 0 HD22 LEU A 127 -1.231 -15.528 1.284 1.00 20.15 H new ATOM 0 HD23 LEU A 127 -0.091 -16.193 0.090 1.00 20.15 H new ATOM 1832 N GLN A 128 -3.560 -15.232 -2.901 1.00 52.14 N ATOM 1833 CA GLN A 128 -4.651 -15.025 -3.849 1.00 72.24 C ATOM 1834 C GLN A 128 -5.378 -13.743 -3.517 1.00 41.14 C ATOM 1835 O GLN A 128 -5.789 -13.543 -2.361 1.00 11.32 O ATOM 1836 CB GLN A 128 -5.625 -16.213 -3.822 1.00 55.03 C ATOM 1837 CG GLN A 128 -6.823 -16.108 -4.765 1.00 65.43 C ATOM 1838 CD GLN A 128 -6.424 -15.897 -6.204 1.00 0.35 C ATOM 1839 OE1 GLN A 128 -6.294 -14.767 -6.652 1.00 23.01 O ATOM 1840 NE2 GLN A 128 -6.225 -16.963 -6.924 1.00 20.12 N ATOM 0 H GLN A 128 -3.823 -15.737 -2.055 1.00 52.14 H new ATOM 0 HA GLN A 128 -4.234 -14.950 -4.853 1.00 72.24 H new ATOM 0 HB2 GLN A 128 -5.071 -17.119 -4.067 1.00 55.03 H new ATOM 0 HB3 GLN A 128 -5.996 -16.332 -2.804 1.00 55.03 H new ATOM 0 HG2 GLN A 128 -7.419 -17.017 -4.689 1.00 65.43 H new ATOM 0 HG3 GLN A 128 -7.459 -15.282 -4.445 1.00 65.43 H new ATOM 0 HE21 GLN A 128 -6.345 -17.888 -6.510 1.00 20.12 H new ATOM 0 HE22 GLN A 128 -5.949 -16.874 -7.902 1.00 20.12 H new ATOM 1848 N TRP A 129 -5.568 -12.895 -4.524 1.00 50.21 N ATOM 1849 CA TRP A 129 -6.210 -11.593 -4.347 1.00 10.23 C ATOM 1850 C TRP A 129 -7.624 -11.727 -3.824 1.00 72.25 C ATOM 1851 O TRP A 129 -8.101 -10.847 -3.129 1.00 63.43 O ATOM 1852 CB TRP A 129 -6.149 -10.741 -5.637 1.00 11.34 C ATOM 1853 CG TRP A 129 -6.787 -9.378 -5.516 1.00 5.22 C ATOM 1854 CD1 TRP A 129 -8.000 -8.998 -6.011 1.00 2.12 C ATOM 1855 CD2 TRP A 129 -6.251 -8.224 -4.845 1.00 25.34 C ATOM 1856 NE1 TRP A 129 -8.250 -7.691 -5.688 1.00 63.51 N ATOM 1857 CE2 TRP A 129 -7.196 -7.192 -4.977 1.00 21.24 C ATOM 1858 CE3 TRP A 129 -5.071 -7.967 -4.153 1.00 72.24 C ATOM 1859 CZ2 TRP A 129 -7.000 -5.922 -4.432 1.00 11.33 C ATOM 1860 CZ3 TRP A 129 -4.877 -6.710 -3.615 1.00 71.50 C ATOM 1861 CH2 TRP A 129 -5.835 -5.703 -3.758 1.00 64.34 C ATOM 0 H TRP A 129 -5.283 -13.089 -5.484 1.00 50.21 H new ATOM 0 HA TRP A 129 -5.641 -11.058 -3.586 1.00 10.23 H new ATOM 0 HB2 TRP A 129 -5.105 -10.616 -5.926 1.00 11.34 H new ATOM 0 HB3 TRP A 129 -6.639 -11.288 -6.442 1.00 11.34 H new ATOM 0 HD1 TRP A 129 -8.666 -9.635 -6.575 1.00 2.12 H new ATOM 0 HE1 TRP A 129 -9.091 -7.172 -5.939 1.00 63.51 H new ATOM 0 HE3 TRP A 129 -4.321 -8.736 -4.039 1.00 72.24 H new ATOM 0 HZ2 TRP A 129 -7.741 -5.144 -4.540 1.00 11.33 H new ATOM 0 HZ3 TRP A 129 -3.967 -6.501 -3.073 1.00 71.50 H new ATOM 0 HH2 TRP A 129 -5.649 -4.731 -3.326 1.00 64.34 H new ATOM 1872 N GLU A 130 -8.276 -12.837 -4.136 1.00 44.23 N ATOM 1873 CA GLU A 130 -9.613 -13.098 -3.620 1.00 14.22 C ATOM 1874 C GLU A 130 -9.580 -13.044 -2.091 1.00 31.00 C ATOM 1875 O GLU A 130 -10.415 -12.398 -1.473 1.00 51.14 O ATOM 1876 CB GLU A 130 -10.148 -14.451 -4.173 1.00 50.13 C ATOM 1877 CG GLU A 130 -11.605 -14.837 -3.815 1.00 44.04 C ATOM 1878 CD GLU A 130 -11.813 -15.377 -2.405 1.00 60.44 C ATOM 1879 OE1 GLU A 130 -11.629 -16.590 -2.206 1.00 41.55 O ATOM 1880 OE2 GLU A 130 -12.192 -14.617 -1.498 1.00 15.04 O ATOM 0 H GLU A 130 -7.904 -13.569 -4.741 1.00 44.23 H new ATOM 0 HA GLU A 130 -10.310 -12.332 -3.959 1.00 14.22 H new ATOM 0 HB2 GLU A 130 -10.062 -14.429 -5.259 1.00 50.13 H new ATOM 0 HB3 GLU A 130 -9.491 -15.245 -3.817 1.00 50.13 H new ATOM 0 HG2 GLU A 130 -12.238 -13.959 -3.946 1.00 44.04 H new ATOM 0 HG3 GLU A 130 -11.949 -15.587 -4.527 1.00 44.04 H new ATOM 1887 N ASN A 131 -8.564 -13.666 -1.488 1.00 25.14 N ATOM 1888 CA ASN A 131 -8.449 -13.628 -0.026 1.00 75.31 C ATOM 1889 C ASN A 131 -7.946 -12.269 0.418 1.00 22.33 C ATOM 1890 O ASN A 131 -8.474 -11.681 1.349 1.00 61.33 O ATOM 1891 CB ASN A 131 -7.478 -14.676 0.505 1.00 11.32 C ATOM 1892 CG ASN A 131 -7.744 -16.057 0.005 1.00 1.41 C ATOM 1893 OD1 ASN A 131 -7.086 -16.396 -1.053 1.00 33.52 O flip ATOM 1894 ND2 ASN A 131 -8.507 -16.817 0.583 1.00 74.00 N flip ATOM 0 H ASN A 131 -7.830 -14.186 -1.969 1.00 25.14 H new ATOM 0 HA ASN A 131 -9.443 -13.833 0.371 1.00 75.31 H new ATOM 0 HB2 ASN A 131 -6.463 -14.390 0.229 1.00 11.32 H new ATOM 0 HB3 ASN A 131 -7.523 -14.680 1.594 1.00 11.32 H new ATOM 0 HD21 ASN A 131 -9.005 -16.503 1.416 1.00 74.00 H new ATOM 0 HD22 ASN A 131 -8.646 -17.765 0.232 1.00 74.00 H new ATOM 1900 N VAL A 132 -6.911 -11.775 -0.273 1.00 31.52 N ATOM 1901 CA VAL A 132 -6.258 -10.506 0.078 1.00 30.30 C ATOM 1902 C VAL A 132 -7.244 -9.339 0.078 1.00 1.12 C ATOM 1903 O VAL A 132 -7.397 -8.669 1.085 1.00 52.13 O ATOM 1904 CB VAL A 132 -5.063 -10.176 -0.870 1.00 41.40 C ATOM 1905 CG1 VAL A 132 -4.399 -8.863 -0.478 1.00 54.54 C ATOM 1906 CG2 VAL A 132 -4.039 -11.297 -0.867 1.00 44.31 C ATOM 0 H VAL A 132 -6.505 -12.239 -1.085 1.00 31.52 H new ATOM 0 HA VAL A 132 -5.871 -10.640 1.088 1.00 30.30 H new ATOM 0 HB VAL A 132 -5.464 -10.074 -1.878 1.00 41.40 H new ATOM 0 HG11 VAL A 132 -3.570 -8.658 -1.155 1.00 54.54 H new ATOM 0 HG12 VAL A 132 -5.127 -8.054 -0.541 1.00 54.54 H new ATOM 0 HG13 VAL A 132 -4.024 -8.935 0.543 1.00 54.54 H new ATOM 0 HG21 VAL A 132 -3.217 -11.041 -1.536 1.00 44.31 H new ATOM 0 HG22 VAL A 132 -3.655 -11.436 0.143 1.00 44.31 H new ATOM 0 HG23 VAL A 132 -4.509 -12.220 -1.207 1.00 44.31 H new ATOM 1912 N SER A 133 -7.926 -9.143 -1.033 1.00 54.23 N ATOM 1913 CA SER A 133 -8.866 -8.046 -1.205 1.00 4.34 C ATOM 1914 C SER A 133 -9.979 -8.117 -0.172 1.00 12.44 C ATOM 1915 O SER A 133 -10.328 -7.111 0.448 1.00 62.33 O ATOM 1916 CB SER A 133 -9.430 -8.074 -2.633 1.00 24.44 C ATOM 1917 OG SER A 133 -10.405 -7.070 -2.859 1.00 1.01 O ATOM 0 H SER A 133 -7.844 -9.746 -1.852 1.00 54.23 H new ATOM 0 HA SER A 133 -8.343 -7.102 -1.053 1.00 4.34 H new ATOM 0 HB2 SER A 133 -8.613 -7.947 -3.344 1.00 24.44 H new ATOM 0 HB3 SER A 133 -9.871 -9.052 -2.825 1.00 24.44 H new ATOM 0 HG SER A 133 -10.510 -6.927 -3.823 1.00 1.01 H new ATOM 1923 N ALA A 134 -10.497 -9.311 0.041 1.00 12.44 N ATOM 1924 CA ALA A 134 -11.552 -9.516 1.003 1.00 63.32 C ATOM 1925 C ALA A 134 -11.057 -9.211 2.411 1.00 23.44 C ATOM 1926 O ALA A 134 -11.740 -8.570 3.199 1.00 64.33 O ATOM 1927 CB ALA A 134 -12.063 -10.929 0.909 1.00 75.34 C ATOM 0 H ALA A 134 -10.199 -10.157 -0.445 1.00 12.44 H new ATOM 0 HA ALA A 134 -12.372 -8.834 0.780 1.00 63.32 H new ATOM 0 HB1 ALA A 134 -12.860 -11.077 1.638 1.00 75.34 H new ATOM 0 HB2 ALA A 134 -12.451 -11.110 -0.094 1.00 75.34 H new ATOM 0 HB3 ALA A 134 -11.249 -11.625 1.114 1.00 75.34 H new ATOM 1933 N MET A 135 -9.854 -9.653 2.713 1.00 64.25 N ATOM 1934 CA MET A 135 -9.268 -9.372 3.999 1.00 5.34 C ATOM 1935 C MET A 135 -9.075 -7.873 4.171 1.00 44.01 C ATOM 1936 O MET A 135 -9.359 -7.334 5.228 1.00 53.12 O ATOM 1937 CB MET A 135 -7.958 -10.136 4.198 1.00 72.22 C ATOM 1938 CG MET A 135 -7.289 -9.884 5.541 1.00 13.31 C ATOM 1939 SD MET A 135 -5.839 -10.922 5.806 1.00 12.12 S ATOM 1940 CE MET A 135 -4.815 -10.466 4.411 1.00 51.25 C ATOM 0 H MET A 135 -9.268 -10.205 2.086 1.00 64.25 H new ATOM 0 HA MET A 135 -9.954 -9.718 4.772 1.00 5.34 H new ATOM 0 HB2 MET A 135 -8.154 -11.203 4.096 1.00 72.22 H new ATOM 0 HB3 MET A 135 -7.266 -9.862 3.402 1.00 72.22 H new ATOM 0 HG2 MET A 135 -6.996 -8.836 5.605 1.00 13.31 H new ATOM 0 HG3 MET A 135 -8.009 -10.063 6.340 1.00 13.31 H new ATOM 0 HE1 MET A 135 -3.842 -10.949 4.501 1.00 51.25 H new ATOM 0 HE2 MET A 135 -5.295 -10.787 3.487 1.00 51.25 H new ATOM 0 HE3 MET A 135 -4.683 -9.384 4.395 1.00 51.25 H new ATOM 1950 N ILE A 136 -8.630 -7.205 3.114 1.00 1.23 N ATOM 1951 CA ILE A 136 -8.458 -5.768 3.123 1.00 70.32 C ATOM 1952 C ILE A 136 -9.796 -5.071 3.404 1.00 33.45 C ATOM 1953 O ILE A 136 -9.878 -4.209 4.290 1.00 3.20 O ATOM 1954 CB ILE A 136 -7.865 -5.254 1.779 1.00 40.04 C ATOM 1955 CG1 ILE A 136 -6.460 -5.824 1.550 1.00 35.43 C ATOM 1956 CG2 ILE A 136 -7.826 -3.736 1.752 1.00 41.04 C ATOM 1957 CD1 ILE A 136 -5.841 -5.425 0.223 1.00 65.14 C ATOM 0 H ILE A 136 -8.380 -7.649 2.230 1.00 1.23 H new ATOM 0 HA ILE A 136 -7.752 -5.527 3.918 1.00 70.32 H new ATOM 0 HB ILE A 136 -8.514 -5.598 0.974 1.00 40.04 H new ATOM 0 HG12 ILE A 136 -5.808 -5.492 2.358 1.00 35.43 H new ATOM 0 HG13 ILE A 136 -6.507 -6.912 1.605 1.00 35.43 H new ATOM 0 HG21 ILE A 136 -7.408 -3.400 0.803 1.00 41.04 H new ATOM 0 HG22 ILE A 136 -8.837 -3.344 1.862 1.00 41.04 H new ATOM 0 HG23 ILE A 136 -7.205 -3.373 2.571 1.00 41.04 H new ATOM 0 HD11 ILE A 136 -4.849 -5.868 0.137 1.00 65.14 H new ATOM 0 HD12 ILE A 136 -6.469 -5.781 -0.593 1.00 65.14 H new ATOM 0 HD13 ILE A 136 -5.760 -4.339 0.171 1.00 65.14 H new ATOM 1964 N GLU A 137 -10.846 -5.462 2.685 1.00 22.44 N ATOM 1965 CA GLU A 137 -12.134 -4.833 2.874 1.00 72.21 C ATOM 1966 C GLU A 137 -12.731 -5.081 4.259 1.00 23.40 C ATOM 1967 O GLU A 137 -13.426 -4.231 4.782 1.00 40.14 O ATOM 1968 CB GLU A 137 -13.113 -5.023 1.670 1.00 65.32 C ATOM 1969 CG GLU A 137 -13.502 -6.445 1.259 1.00 74.42 C ATOM 1970 CD GLU A 137 -14.442 -7.160 2.210 1.00 72.33 C ATOM 1971 OE1 GLU A 137 -15.248 -6.495 2.890 1.00 33.53 O ATOM 1972 OE2 GLU A 137 -14.444 -8.401 2.227 1.00 51.31 O ATOM 0 H GLU A 137 -10.824 -6.199 1.980 1.00 22.44 H new ATOM 0 HA GLU A 137 -11.946 -3.759 2.866 1.00 72.21 H new ATOM 0 HB2 GLU A 137 -14.031 -4.483 1.901 1.00 65.32 H new ATOM 0 HB3 GLU A 137 -12.668 -4.538 0.802 1.00 65.32 H new ATOM 0 HG2 GLU A 137 -13.968 -6.406 0.274 1.00 74.42 H new ATOM 0 HG3 GLU A 137 -12.593 -7.038 1.158 1.00 74.42 H new ATOM 1979 N GLU A 138 -12.414 -6.220 4.862 1.00 43.32 N ATOM 1980 CA GLU A 138 -12.847 -6.500 6.230 1.00 35.51 C ATOM 1981 C GLU A 138 -12.015 -5.715 7.250 1.00 15.31 C ATOM 1982 O GLU A 138 -12.539 -5.248 8.271 1.00 34.04 O ATOM 1983 CB GLU A 138 -12.772 -7.988 6.547 1.00 41.52 C ATOM 1984 CG GLU A 138 -13.728 -8.841 5.751 1.00 11.53 C ATOM 1985 CD GLU A 138 -13.606 -10.298 6.087 1.00 25.14 C ATOM 1986 OE1 GLU A 138 -14.203 -10.744 7.078 1.00 52.14 O ATOM 1987 OE2 GLU A 138 -12.913 -11.038 5.360 1.00 52.03 O ATOM 0 H GLU A 138 -11.862 -6.962 4.431 1.00 43.32 H new ATOM 0 HA GLU A 138 -13.887 -6.180 6.303 1.00 35.51 H new ATOM 0 HB2 GLU A 138 -11.755 -8.336 6.365 1.00 41.52 H new ATOM 0 HB3 GLU A 138 -12.973 -8.132 7.609 1.00 41.52 H new ATOM 0 HG2 GLU A 138 -14.750 -8.511 5.940 1.00 11.53 H new ATOM 0 HG3 GLU A 138 -13.539 -8.699 4.687 1.00 11.53 H new ATOM 1994 N VAL A 139 -10.728 -5.577 6.975 1.00 13.43 N ATOM 1995 CA VAL A 139 -9.807 -4.848 7.853 1.00 52.02 C ATOM 1996 C VAL A 139 -10.101 -3.339 7.863 1.00 25.21 C ATOM 1997 O VAL A 139 -10.076 -2.693 8.920 1.00 51.24 O ATOM 1998 CB VAL A 139 -8.302 -5.130 7.480 1.00 64.14 C ATOM 1999 CG1 VAL A 139 -7.354 -4.205 8.224 1.00 71.22 C ATOM 2000 CG2 VAL A 139 -7.939 -6.570 7.812 1.00 40.44 C ATOM 0 H VAL A 139 -10.286 -5.964 6.141 1.00 13.43 H new ATOM 0 HA VAL A 139 -9.973 -5.221 8.864 1.00 52.02 H new ATOM 0 HB VAL A 139 -8.197 -4.950 6.410 1.00 64.14 H new ATOM 0 HG11 VAL A 139 -6.327 -4.431 7.939 1.00 71.22 H new ATOM 0 HG12 VAL A 139 -7.581 -3.170 7.970 1.00 71.22 H new ATOM 0 HG13 VAL A 139 -7.473 -4.349 9.298 1.00 71.22 H new ATOM 0 HG21 VAL A 139 -6.897 -6.752 7.550 1.00 40.44 H new ATOM 0 HG22 VAL A 139 -8.081 -6.744 8.879 1.00 40.44 H new ATOM 0 HG23 VAL A 139 -8.579 -7.246 7.246 1.00 40.44 H new ATOM 2006 N PHE A 140 -10.382 -2.791 6.704 1.00 33.53 N ATOM 2007 CA PHE A 140 -10.666 -1.363 6.570 1.00 33.34 C ATOM 2008 C PHE A 140 -12.162 -1.056 6.548 1.00 21.44 C ATOM 2009 O PHE A 140 -12.558 0.087 6.296 1.00 1.24 O ATOM 2010 CB PHE A 140 -10.001 -0.806 5.319 1.00 0.43 C ATOM 2011 CG PHE A 140 -8.509 -0.854 5.364 1.00 42.22 C ATOM 2012 CD1 PHE A 140 -7.821 -1.987 4.963 1.00 44.31 C ATOM 2013 CD2 PHE A 140 -7.793 0.233 5.803 1.00 72.32 C ATOM 2014 CE1 PHE A 140 -6.448 -2.032 5.003 1.00 44.23 C ATOM 2015 CE2 PHE A 140 -6.412 0.198 5.845 1.00 34.32 C ATOM 2016 CZ PHE A 140 -5.742 -0.938 5.446 1.00 54.24 C ATOM 0 H PHE A 140 -10.423 -3.310 5.827 1.00 33.53 H new ATOM 0 HA PHE A 140 -10.253 -0.877 7.454 1.00 33.34 H new ATOM 0 HB2 PHE A 140 -10.348 -1.368 4.452 1.00 0.43 H new ATOM 0 HB3 PHE A 140 -10.319 0.227 5.178 1.00 0.43 H new ATOM 0 HD1 PHE A 140 -8.372 -2.848 4.614 1.00 44.31 H new ATOM 0 HD2 PHE A 140 -8.315 1.124 6.119 1.00 72.32 H new ATOM 0 HE1 PHE A 140 -5.925 -2.923 4.688 1.00 44.23 H new ATOM 0 HE2 PHE A 140 -5.859 1.059 6.190 1.00 34.32 H new ATOM 0 HZ PHE A 140 -4.663 -0.969 5.481 1.00 54.24 H new ATOM 2026 N GLU A 141 -12.976 -2.053 6.844 1.00 42.32 N ATOM 2027 CA GLU A 141 -14.441 -1.938 6.770 1.00 23.10 C ATOM 2028 C GLU A 141 -14.992 -0.776 7.592 1.00 32.43 C ATOM 2029 O GLU A 141 -15.870 -0.024 7.134 1.00 15.14 O ATOM 2030 CB GLU A 141 -15.083 -3.262 7.157 1.00 24.21 C ATOM 2031 CG GLU A 141 -16.588 -3.277 7.114 1.00 45.02 C ATOM 2032 CD GLU A 141 -17.124 -4.653 7.314 1.00 61.34 C ATOM 2033 OE1 GLU A 141 -17.001 -5.190 8.431 1.00 14.02 O ATOM 2034 OE2 GLU A 141 -17.653 -5.239 6.333 1.00 4.11 O ATOM 0 H GLU A 141 -12.650 -2.972 7.144 1.00 42.32 H new ATOM 0 HA GLU A 141 -14.702 -1.709 5.737 1.00 23.10 H new ATOM 0 HB2 GLU A 141 -14.708 -4.039 6.491 1.00 24.21 H new ATOM 0 HB3 GLU A 141 -14.761 -3.524 8.165 1.00 24.21 H new ATOM 0 HG2 GLU A 141 -16.982 -2.616 7.886 1.00 45.02 H new ATOM 0 HG3 GLU A 141 -16.930 -2.887 6.155 1.00 45.02 H new ATOM 2041 N ALA A 142 -14.453 -0.601 8.741 1.00 24.12 N ATOM 2042 CA ALA A 142 -14.842 0.472 9.614 1.00 40.41 C ATOM 2043 C ALA A 142 -13.668 1.404 9.856 1.00 40.22 C ATOM 2044 O ALA A 142 -13.103 1.454 10.941 1.00 45.51 O ATOM 2045 CB ALA A 142 -15.424 -0.052 10.924 1.00 50.31 C ATOM 0 H ALA A 142 -13.719 -1.200 9.118 1.00 24.12 H new ATOM 0 HA ALA A 142 -15.633 1.040 9.124 1.00 40.41 H new ATOM 0 HB1 ALA A 142 -15.707 0.788 11.558 1.00 50.31 H new ATOM 0 HB2 ALA A 142 -16.304 -0.660 10.714 1.00 50.31 H new ATOM 0 HB3 ALA A 142 -14.678 -0.659 11.437 1.00 50.31 H new ATOM 2051 N THR A 143 -13.236 2.051 8.795 1.00 52.14 N ATOM 2052 CA THR A 143 -12.182 3.002 8.841 1.00 31.44 C ATOM 2053 C THR A 143 -12.546 4.121 7.828 1.00 10.02 C ATOM 2054 O THR A 143 -13.394 3.893 6.965 1.00 72.34 O ATOM 2055 CB THR A 143 -10.856 2.332 8.406 1.00 63.33 C ATOM 2056 OG1 THR A 143 -10.686 1.078 9.087 1.00 42.10 O ATOM 2057 CG2 THR A 143 -9.714 3.207 8.782 1.00 54.22 C ATOM 0 H THR A 143 -13.626 1.917 7.862 1.00 52.14 H new ATOM 0 HA THR A 143 -12.057 3.400 9.848 1.00 31.44 H new ATOM 0 HB THR A 143 -10.888 2.173 7.328 1.00 63.33 H new ATOM 0 HG1 THR A 143 -10.663 1.232 10.055 1.00 42.10 H new ATOM 0 HG21 THR A 143 -8.779 2.737 8.476 1.00 54.22 H new ATOM 0 HG22 THR A 143 -9.815 4.171 8.284 1.00 54.22 H new ATOM 0 HG23 THR A 143 -9.709 3.355 9.862 1.00 54.22 H new ATOM 2063 N ASP A 144 -11.925 5.291 7.918 1.00 33.13 N ATOM 2064 CA ASP A 144 -12.211 6.390 6.956 1.00 50.01 C ATOM 2065 C ASP A 144 -11.297 6.313 5.761 1.00 1.32 C ATOM 2066 O ASP A 144 -11.277 7.205 4.934 1.00 3.44 O ATOM 2067 CB ASP A 144 -12.042 7.781 7.584 1.00 75.41 C ATOM 2068 CG ASP A 144 -12.967 8.049 8.722 1.00 20.11 C ATOM 2069 OD1 ASP A 144 -14.167 8.338 8.485 1.00 13.41 O ATOM 2070 OD2 ASP A 144 -12.514 7.966 9.880 1.00 5.33 O ATOM 0 H ASP A 144 -11.229 5.518 8.628 1.00 33.13 H new ATOM 0 HA ASP A 144 -13.250 6.257 6.656 1.00 50.01 H new ATOM 0 HB2 ASP A 144 -11.014 7.889 7.931 1.00 75.41 H new ATOM 0 HB3 ASP A 144 -12.200 8.537 6.815 1.00 75.41 H new ATOM 2075 N ILE A 145 -10.552 5.249 5.670 1.00 55.42 N ATOM 2076 CA ILE A 145 -9.598 5.081 4.605 1.00 23.31 C ATOM 2077 C ILE A 145 -10.279 4.577 3.336 1.00 52.41 C ATOM 2078 O ILE A 145 -10.990 3.568 3.351 1.00 65.01 O ATOM 2079 CB ILE A 145 -8.464 4.113 5.022 1.00 64.31 C ATOM 2080 CG1 ILE A 145 -7.733 4.669 6.247 1.00 3.54 C ATOM 2081 CG2 ILE A 145 -7.486 3.897 3.878 1.00 61.44 C ATOM 2082 CD1 ILE A 145 -6.671 3.752 6.796 1.00 1.52 C ATOM 0 H ILE A 145 -10.587 4.472 6.330 1.00 55.42 H new ATOM 0 HA ILE A 145 -9.160 6.057 4.398 1.00 23.31 H new ATOM 0 HB ILE A 145 -8.906 3.149 5.274 1.00 64.31 H new ATOM 0 HG12 ILE A 145 -7.274 5.622 5.982 1.00 3.54 H new ATOM 0 HG13 ILE A 145 -8.462 4.873 7.031 1.00 3.54 H new ATOM 0 HG21 ILE A 145 -6.699 3.213 4.196 1.00 61.44 H new ATOM 0 HG22 ILE A 145 -8.013 3.471 3.024 1.00 61.44 H new ATOM 0 HG23 ILE A 145 -7.044 4.851 3.592 1.00 61.44 H new ATOM 0 HD11 ILE A 145 -6.200 4.218 7.662 1.00 1.52 H new ATOM 0 HD12 ILE A 145 -7.125 2.807 7.094 1.00 1.52 H new ATOM 0 HD13 ILE A 145 -5.918 3.567 6.030 1.00 1.52 H new ATOM 2089 N LYS A 146 -10.079 5.307 2.265 1.00 25.23 N ATOM 2090 CA LYS A 146 -10.587 4.940 0.964 1.00 73.40 C ATOM 2091 C LYS A 146 -9.487 4.228 0.228 1.00 32.13 C ATOM 2092 O LYS A 146 -8.443 4.829 -0.063 1.00 20.05 O ATOM 2093 CB LYS A 146 -11.013 6.178 0.124 1.00 64.01 C ATOM 2094 CG LYS A 146 -12.193 7.011 0.649 1.00 22.40 C ATOM 2095 CD LYS A 146 -11.907 7.666 1.977 1.00 22.31 C ATOM 2096 CE LYS A 146 -13.040 8.564 2.421 1.00 72.41 C ATOM 2097 NZ LYS A 146 -13.215 9.710 1.509 1.00 43.02 N ATOM 0 H LYS A 146 -9.554 6.181 2.272 1.00 25.23 H new ATOM 0 HA LYS A 146 -11.468 4.313 1.104 1.00 73.40 H new ATOM 0 HB2 LYS A 146 -10.149 6.837 0.031 1.00 64.01 H new ATOM 0 HB3 LYS A 146 -11.262 5.835 -0.880 1.00 64.01 H new ATOM 0 HG2 LYS A 146 -12.442 7.779 -0.083 1.00 22.40 H new ATOM 0 HG3 LYS A 146 -13.068 6.369 0.748 1.00 22.40 H new ATOM 0 HD2 LYS A 146 -11.737 6.898 2.731 1.00 22.31 H new ATOM 0 HD3 LYS A 146 -10.989 8.250 1.903 1.00 22.31 H new ATOM 0 HE2 LYS A 146 -13.965 7.989 2.465 1.00 72.41 H new ATOM 0 HE3 LYS A 146 -12.843 8.928 3.429 1.00 72.41 H new ATOM 0 HZ1 LYS A 146 -13.798 10.436 1.972 1.00 43.02 H new ATOM 0 HZ2 LYS A 146 -12.285 10.111 1.273 1.00 43.02 H new ATOM 0 HZ3 LYS A 146 -13.685 9.392 0.638 1.00 43.02 H new ATOM 2111 N ILE A 147 -9.683 2.974 -0.064 1.00 34.13 N ATOM 2112 CA ILE A 147 -8.683 2.234 -0.762 1.00 35.33 C ATOM 2113 C ILE A 147 -8.999 2.108 -2.211 1.00 40.33 C ATOM 2114 O ILE A 147 -10.029 1.564 -2.618 1.00 24.33 O ATOM 2115 CB ILE A 147 -8.370 0.861 -0.118 1.00 11.44 C ATOM 2116 CG1 ILE A 147 -7.717 1.106 1.226 1.00 75.35 C ATOM 2117 CG2 ILE A 147 -7.459 0.011 -1.021 1.00 0.53 C ATOM 2118 CD1 ILE A 147 -7.318 -0.129 1.971 1.00 72.04 C ATOM 0 H ILE A 147 -10.525 2.448 0.171 1.00 34.13 H new ATOM 0 HA ILE A 147 -7.766 2.817 -0.674 1.00 35.33 H new ATOM 0 HB ILE A 147 -9.296 0.301 0.012 1.00 11.44 H new ATOM 0 HG12 ILE A 147 -6.831 1.723 1.075 1.00 75.35 H new ATOM 0 HG13 ILE A 147 -8.404 1.681 1.847 1.00 75.35 H new ATOM 0 HG21 ILE A 147 -7.259 -0.946 -0.539 1.00 0.53 H new ATOM 0 HG22 ILE A 147 -7.953 -0.161 -1.977 1.00 0.53 H new ATOM 0 HG23 ILE A 147 -6.519 0.537 -1.187 1.00 0.53 H new ATOM 0 HD11 ILE A 147 -6.860 0.150 2.920 1.00 72.04 H new ATOM 0 HD12 ILE A 147 -8.200 -0.741 2.160 1.00 72.04 H new ATOM 0 HD13 ILE A 147 -6.603 -0.698 1.376 1.00 72.04 H new ATOM 2125 N THR A 148 -8.123 2.621 -2.982 1.00 42.25 N ATOM 2126 CA THR A 148 -8.243 2.568 -4.382 1.00 71.54 C ATOM 2127 C THR A 148 -7.064 1.779 -4.922 1.00 62.01 C ATOM 2128 O THR A 148 -5.904 2.132 -4.673 1.00 13.34 O ATOM 2129 CB THR A 148 -8.254 3.994 -4.980 1.00 23.31 C ATOM 2130 OG1 THR A 148 -9.273 4.783 -4.326 1.00 43.13 O ATOM 2131 CG2 THR A 148 -8.554 3.941 -6.464 1.00 43.31 C ATOM 0 H THR A 148 -7.285 3.099 -2.651 1.00 42.25 H new ATOM 0 HA THR A 148 -9.180 2.086 -4.660 1.00 71.54 H new ATOM 0 HB THR A 148 -7.273 4.444 -4.826 1.00 23.31 H new ATOM 0 HG1 THR A 148 -9.279 5.687 -4.704 1.00 43.13 H new ATOM 0 HG21 THR A 148 -8.558 4.952 -6.871 1.00 43.31 H new ATOM 0 HG22 THR A 148 -7.790 3.350 -6.969 1.00 43.31 H new ATOM 0 HG23 THR A 148 -9.530 3.482 -6.622 1.00 43.31 H new ATOM 2137 N VAL A 149 -7.337 0.705 -5.612 1.00 0.22 N ATOM 2138 CA VAL A 149 -6.279 -0.070 -6.157 1.00 23.43 C ATOM 2139 C VAL A 149 -6.174 0.238 -7.619 1.00 14.25 C ATOM 2140 O VAL A 149 -7.194 0.346 -8.337 1.00 11.25 O ATOM 2141 CB VAL A 149 -6.407 -1.626 -5.934 1.00 31.02 C ATOM 2142 CG1 VAL A 149 -6.733 -1.971 -4.505 1.00 52.15 C ATOM 2143 CG2 VAL A 149 -7.355 -2.305 -6.899 1.00 30.23 C ATOM 0 H VAL A 149 -8.276 0.357 -5.804 1.00 0.22 H new ATOM 0 HA VAL A 149 -5.375 0.211 -5.618 1.00 23.43 H new ATOM 0 HB VAL A 149 -5.418 -2.027 -6.155 1.00 31.02 H new ATOM 0 HG11 VAL A 149 -6.811 -3.053 -4.401 1.00 52.15 H new ATOM 0 HG12 VAL A 149 -5.943 -1.600 -3.852 1.00 52.15 H new ATOM 0 HG13 VAL A 149 -7.681 -1.510 -4.227 1.00 52.15 H new ATOM 0 HG21 VAL A 149 -7.390 -3.373 -6.684 1.00 30.23 H new ATOM 0 HG22 VAL A 149 -8.352 -1.879 -6.789 1.00 30.23 H new ATOM 0 HG23 VAL A 149 -7.006 -2.152 -7.920 1.00 30.23 H new ATOM 2149 N TYR A 150 -4.996 0.442 -8.054 1.00 42.34 N ATOM 2150 CA TYR A 150 -4.766 0.702 -9.419 1.00 42.21 C ATOM 2151 C TYR A 150 -4.197 -0.517 -10.029 1.00 42.15 C ATOM 2152 O TYR A 150 -3.171 -1.041 -9.586 1.00 14.32 O ATOM 2153 CB TYR A 150 -3.886 1.922 -9.610 1.00 55.55 C ATOM 2154 CG TYR A 150 -4.556 3.201 -9.158 1.00 32.10 C ATOM 2155 CD1 TYR A 150 -4.657 3.515 -7.812 1.00 71.40 C ATOM 2156 CD2 TYR A 150 -5.100 4.082 -10.076 1.00 31.31 C ATOM 2157 CE1 TYR A 150 -5.276 4.663 -7.394 1.00 2.20 C ATOM 2158 CE2 TYR A 150 -5.725 5.238 -9.662 1.00 45.53 C ATOM 2159 CZ TYR A 150 -5.808 5.522 -8.318 1.00 11.32 C ATOM 2160 OH TYR A 150 -6.431 6.673 -7.896 1.00 72.12 O ATOM 0 H TYR A 150 -4.158 0.434 -7.473 1.00 42.34 H new ATOM 0 HA TYR A 150 -5.703 0.942 -9.922 1.00 42.21 H new ATOM 0 HB2 TYR A 150 -2.958 1.786 -9.054 1.00 55.55 H new ATOM 0 HB3 TYR A 150 -3.617 2.010 -10.663 1.00 55.55 H new ATOM 0 HD1 TYR A 150 -4.239 2.841 -7.078 1.00 71.40 H new ATOM 0 HD2 TYR A 150 -5.034 3.861 -11.131 1.00 31.31 H new ATOM 0 HE1 TYR A 150 -5.344 4.890 -6.340 1.00 2.20 H new ATOM 0 HE2 TYR A 150 -6.147 5.917 -10.388 1.00 45.53 H new ATOM 0 HH TYR A 150 -6.753 7.175 -8.674 1.00 72.12 H new ATOM 2170 N THR A 151 -4.873 -1.001 -10.992 1.00 73.31 N ATOM 2171 CA THR A 151 -4.530 -2.208 -11.615 1.00 12.04 C ATOM 2172 C THR A 151 -4.397 -1.973 -13.091 1.00 74.21 C ATOM 2173 O THR A 151 -5.356 -1.609 -13.745 1.00 54.33 O ATOM 2174 CB THR A 151 -5.642 -3.237 -11.334 1.00 13.44 C ATOM 2175 OG1 THR A 151 -5.851 -3.315 -9.918 1.00 3.44 O ATOM 2176 CG2 THR A 151 -5.270 -4.608 -11.836 1.00 14.34 C ATOM 0 H THR A 151 -5.704 -0.554 -11.379 1.00 73.31 H new ATOM 0 HA THR A 151 -3.583 -2.586 -11.230 1.00 12.04 H new ATOM 0 HB THR A 151 -6.544 -2.912 -11.852 1.00 13.44 H new ATOM 0 HG1 THR A 151 -6.558 -3.966 -9.727 1.00 3.44 H new ATOM 0 HG21 THR A 151 -6.078 -5.306 -11.620 1.00 14.34 H new ATOM 0 HG22 THR A 151 -5.103 -4.568 -12.912 1.00 14.34 H new ATOM 0 HG23 THR A 151 -4.359 -4.943 -11.339 1.00 14.34 H new ATOM 2182 N LEU A 152 -3.210 -2.155 -13.602 1.00 42.31 N ATOM 2183 CA LEU A 152 -2.969 -1.990 -15.002 1.00 51.41 C ATOM 2184 C LEU A 152 -3.563 -3.174 -15.739 1.00 2.54 C ATOM 2185 O LEU A 152 -2.893 -4.219 -15.823 1.00 36.83 O ATOM 2186 CB LEU A 152 -1.463 -1.878 -15.299 1.00 64.53 C ATOM 2187 CG LEU A 152 -0.719 -0.711 -14.700 1.00 24.32 C ATOM 2188 CD1 LEU A 152 0.736 -0.735 -15.132 1.00 51.33 C ATOM 2189 CD2 LEU A 152 -1.359 0.568 -15.104 1.00 63.41 C ATOM 2190 OXT LEU A 152 -4.717 -3.085 -16.199 1.00 36.83 O ATOM 0 H LEU A 152 -2.388 -2.421 -13.059 1.00 42.31 H new ATOM 0 HA LEU A 152 -3.438 -1.066 -15.338 1.00 51.41 H new ATOM 0 HB2 LEU A 152 -0.984 -2.795 -14.955 1.00 64.53 H new ATOM 0 HB3 LEU A 152 -1.336 -1.838 -16.381 1.00 64.53 H new ATOM 0 HG LEU A 152 -0.758 -0.792 -13.614 1.00 24.32 H new ATOM 0 HD11 LEU A 152 1.260 0.113 -14.692 1.00 51.33 H new ATOM 0 HD12 LEU A 152 1.200 -1.662 -14.796 1.00 51.33 H new ATOM 0 HD13 LEU A 152 0.794 -0.673 -16.219 1.00 51.33 H new ATOM 0 HD21 LEU A 152 -0.813 1.403 -14.665 1.00 63.41 H new ATOM 0 HD22 LEU A 152 -1.344 0.655 -16.190 1.00 63.41 H new ATOM 0 HD23 LEU A 152 -2.391 0.585 -14.753 1.00 63.41 H new