USER MOD reduce.3.24.130724 H: found=0, std=0, add=1142, rem=0, adj=48 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 146 LYS NZ :NH3+ -158:sc= 2.33 (180deg=0.805) USER MOD Set 1.2: A 148 THR OG1 : rot 82:sc= 1.2 USER MOD Set 2.1: A 93 TYR OH : rot -179:sc= 1.16 USER MOD Set 2.2: A 128 GLN : amide:sc= -0.31 K(o=-1.3,f=-8.8!) USER MOD Set 2.3: A 131 ASN :FLIP amide:sc= -2.14! C(o=-3.3!,f=-1.3!) USER MOD Set 3.1: A 103 MET CE :methyl -144:sc= -1.03 (180deg=-1.7) USER MOD Set 3.2: A 117 MET CE :methyl -170:sc= -0.903 (180deg=-1.07) USER MOD Set 4.1: A 79 TYR OH : rot -108:sc= 2.33 USER MOD Set 4.2: A 106 HIS : no HE2:sc= 0.408 K(o=4.8,f=-6.5!) USER MOD Set 4.3: A 107 CYS SG : rot 71:sc= 2.1 USER MOD Set 5.1: A 65 SER OG : rot -76:sc= 1.25 USER MOD Set 5.2: A 84 LYS NZ :NH3+ -174:sc= 0 (180deg=0) USER MOD Set 5.3: A 92 THR OG1 : rot 134:sc= 0.496 USER MOD Set 5.4: A 95 ASN :FLIP amide:sc= 0.458 F(o=-1.4!,f=2.2) USER MOD Set 6.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 133 SER OG : rot -64:sc= 1.18 USER MOD Single : A 15 THR OG1 : rot -150:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 10:sc= -2.32! USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= 0.228 (180deg=-0.159!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -150:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.961 K(o=-0.96,f=-2) USER MOD Single : A 33 CYS SG : rot 180:sc= -1.35 USER MOD Single : A 35 SER OG : rot -90:sc= -1.74! USER MOD Single : A 38 CYS SG : rot 46:sc= 0.867 USER MOD Single : A 40 MET CE :methyl 159:sc= -0.592 (180deg=-0.763) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= -0.0313 (180deg=-0.239) USER MOD Single : A 51 LYS NZ :NH3+ 140:sc= 0.277 (180deg=-0.29) USER MOD Single : A 56 GLN : amide:sc= 0.725 K(o=0.72,f=-0.03) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 61 GLN : amide:sc= 0.807 K(o=0.81,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 63 LYS NZ :NH3+ -138:sc= 0.631 (180deg=0.0545) USER MOD Single : A 64 LYS NZ :NH3+ -167:sc= -0.0377 (180deg=-0.236) USER MOD Single : A 72 LYS NZ :NH3+ -169:sc= -0.014 (180deg=-0.169) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -79:sc= 0.967 USER MOD Single : A 85 LYS NZ :NH3+ -165:sc= -0.0466 (180deg=-0.438) USER MOD Single : A 88 SER OG : rot -25:sc= 0.518 USER MOD Single : A 89 HIS :FLIP no HD1:sc= -0.872 F(o=-1.6,f=-0.87) USER MOD Single : A 90 LYS NZ :NH3+ 162:sc= -0.0797 (180deg=-0.464) USER MOD Single : A 97 GLN : amide:sc= -0.0058 K(o=-0.0058,f=-1.3) USER MOD Single : A 98 LYS NZ :NH3+ -115:sc= 0.384 (180deg=0) USER MOD Single : A 99 SER OG : rot 82:sc= 1.24 USER MOD Single : A 104 LYS NZ :NH3+ 168:sc= 0.871 (180deg=0.732) USER MOD Single : A 105 SER OG : rot 90:sc= 0.259 USER MOD Single : A 109 LYS NZ :NH3+ 164:sc= -0.0493 (180deg=-0.416) USER MOD Single : A 110 ASN :FLIP amide:sc= 1.2 F(o=-1.2,f=1.2) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 157:sc= 0.717 USER MOD Single : A 122 CYS SG : rot 180:sc= -0.855 USER MOD Single : A 135 MET CE :methyl 180:sc= -0.707 (180deg=-0.707) USER MOD Single : A 143 THR OG1 : rot -1:sc= 1.1 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 149:sc= 0.869 USER MOD ----------------------------------------------------------------- ATOM 125 N ARG A 13 -14.879 -0.268 0.337 1.00 61.33 N ATOM 126 CA ARG A 13 -13.594 -0.073 0.993 1.00 0.44 C ATOM 127 C ARG A 13 -12.565 0.106 -0.088 1.00 12.23 C ATOM 128 O ARG A 13 -11.731 1.014 -0.057 1.00 51.50 O ATOM 129 CB ARG A 13 -13.150 -1.288 1.861 1.00 3.44 C ATOM 130 CG ARG A 13 -14.018 -1.698 3.066 1.00 3.40 C ATOM 131 CD ARG A 13 -15.375 -2.245 2.671 1.00 42.45 C ATOM 132 NE ARG A 13 -16.027 -2.935 3.795 1.00 51.53 N ATOM 133 CZ ARG A 13 -17.313 -2.814 4.141 1.00 20.41 C ATOM 134 NH1 ARG A 13 -18.075 -1.877 3.586 1.00 73.22 N ATOM 135 NH2 ARG A 13 -17.823 -3.608 5.081 1.00 33.22 N ATOM 0 HA ARG A 13 -13.688 0.787 1.656 1.00 0.44 H new ATOM 0 HB2 ARG A 13 -13.071 -2.153 1.202 1.00 3.44 H new ATOM 0 HB3 ARG A 13 -12.147 -1.078 2.233 1.00 3.44 H new ATOM 0 HG2 ARG A 13 -13.486 -2.451 3.648 1.00 3.40 H new ATOM 0 HG3 ARG A 13 -14.158 -0.833 3.715 1.00 3.40 H new ATOM 0 HD2 ARG A 13 -16.010 -1.430 2.326 1.00 42.45 H new ATOM 0 HD3 ARG A 13 -15.261 -2.936 1.836 1.00 42.45 H new ATOM 0 HE ARG A 13 -15.449 -3.559 4.358 1.00 51.53 H new ATOM 0 HH11 ARG A 13 -17.680 -1.244 2.891 1.00 73.22 H new ATOM 0 HH12 ARG A 13 -19.055 -1.791 3.855 1.00 73.22 H new ATOM 0 HH21 ARG A 13 -17.233 -4.306 5.534 1.00 33.22 H new ATOM 0 HH22 ARG A 13 -18.804 -3.518 5.347 1.00 33.22 H new ATOM 147 N ILE A 14 -12.649 -0.773 -1.058 1.00 63.23 N ATOM 148 CA ILE A 14 -11.743 -0.805 -2.160 1.00 54.10 C ATOM 149 C ILE A 14 -12.387 -0.218 -3.407 1.00 13.43 C ATOM 150 O ILE A 14 -13.521 -0.553 -3.756 1.00 52.11 O ATOM 151 CB ILE A 14 -11.277 -2.258 -2.452 1.00 63.15 C ATOM 152 CG1 ILE A 14 -10.482 -2.821 -1.265 1.00 52.33 C ATOM 153 CG2 ILE A 14 -10.462 -2.325 -3.734 1.00 22.23 C ATOM 154 CD1 ILE A 14 -9.998 -4.240 -1.470 1.00 30.32 C ATOM 0 H ILE A 14 -13.367 -1.497 -1.096 1.00 63.23 H new ATOM 0 HA ILE A 14 -10.876 -0.202 -1.891 1.00 54.10 H new ATOM 0 HB ILE A 14 -12.164 -2.876 -2.591 1.00 63.15 H new ATOM 0 HG12 ILE A 14 -9.622 -2.178 -1.078 1.00 52.33 H new ATOM 0 HG13 ILE A 14 -11.107 -2.786 -0.372 1.00 52.33 H new ATOM 0 HG21 ILE A 14 -10.149 -3.354 -3.913 1.00 22.23 H new ATOM 0 HG22 ILE A 14 -11.070 -1.980 -4.570 1.00 22.23 H new ATOM 0 HG23 ILE A 14 -9.582 -1.690 -3.639 1.00 22.23 H new ATOM 0 HD11 ILE A 14 -9.445 -4.567 -0.589 1.00 30.32 H new ATOM 0 HD12 ILE A 14 -10.853 -4.897 -1.626 1.00 30.32 H new ATOM 0 HD13 ILE A 14 -9.346 -4.280 -2.343 1.00 30.32 H new ATOM 161 N THR A 15 -11.677 0.666 -4.038 1.00 0.20 N ATOM 162 CA THR A 15 -12.072 1.243 -5.276 1.00 32.03 C ATOM 163 C THR A 15 -11.136 0.699 -6.352 1.00 21.03 C ATOM 164 O THR A 15 -9.911 0.773 -6.211 1.00 15.43 O ATOM 165 CB THR A 15 -11.942 2.768 -5.199 1.00 51.44 C ATOM 166 OG1 THR A 15 -12.647 3.226 -4.031 1.00 25.23 O ATOM 167 CG2 THR A 15 -12.544 3.421 -6.436 1.00 43.13 C ATOM 0 H THR A 15 -10.782 1.013 -3.692 1.00 0.20 H new ATOM 0 HA THR A 15 -13.108 0.996 -5.505 1.00 32.03 H new ATOM 0 HB THR A 15 -10.887 3.038 -5.144 1.00 51.44 H new ATOM 0 HG1 THR A 15 -12.989 4.131 -4.189 1.00 25.23 H new ATOM 0 HG21 THR A 15 -12.442 4.504 -6.362 1.00 43.13 H new ATOM 0 HG22 THR A 15 -12.022 3.067 -7.325 1.00 43.13 H new ATOM 0 HG23 THR A 15 -13.600 3.160 -6.508 1.00 43.13 H new ATOM 173 N TYR A 16 -11.695 0.136 -7.390 1.00 41.31 N ATOM 174 CA TYR A 16 -10.910 -0.466 -8.442 1.00 21.03 C ATOM 175 C TYR A 16 -10.723 0.514 -9.587 1.00 55.02 C ATOM 176 O TYR A 16 -11.695 0.943 -10.209 1.00 70.31 O ATOM 177 CB TYR A 16 -11.588 -1.756 -8.937 1.00 53.03 C ATOM 178 CG TYR A 16 -11.770 -2.813 -7.857 1.00 65.43 C ATOM 179 CD1 TYR A 16 -10.758 -3.708 -7.563 1.00 40.31 C ATOM 180 CD2 TYR A 16 -12.950 -2.899 -7.125 1.00 15.43 C ATOM 181 CE1 TYR A 16 -10.900 -4.661 -6.575 1.00 20.10 C ATOM 182 CE2 TYR A 16 -13.108 -3.846 -6.132 1.00 53.32 C ATOM 183 CZ TYR A 16 -12.081 -4.727 -5.858 1.00 21.34 C ATOM 184 OH TYR A 16 -12.236 -5.674 -4.858 1.00 42.40 O ATOM 0 H TYR A 16 -12.703 0.080 -7.533 1.00 41.31 H new ATOM 0 HA TYR A 16 -9.927 -0.722 -8.046 1.00 21.03 H new ATOM 0 HB2 TYR A 16 -12.564 -1.505 -9.353 1.00 53.03 H new ATOM 0 HB3 TYR A 16 -10.994 -2.178 -9.748 1.00 53.03 H new ATOM 0 HD1 TYR A 16 -9.834 -3.660 -8.120 1.00 40.31 H new ATOM 0 HD2 TYR A 16 -13.757 -2.213 -7.337 1.00 15.43 H new ATOM 0 HE1 TYR A 16 -10.095 -5.350 -6.363 1.00 20.10 H new ATOM 0 HE2 TYR A 16 -14.030 -3.897 -5.573 1.00 53.32 H new ATOM 0 HH TYR A 16 -13.124 -5.581 -4.454 1.00 42.40 H new ATOM 194 N VAL A 17 -9.492 0.890 -9.847 1.00 35.33 N ATOM 195 CA VAL A 17 -9.193 1.811 -10.925 1.00 61.24 C ATOM 196 C VAL A 17 -8.312 1.144 -11.927 1.00 24.12 C ATOM 197 O VAL A 17 -7.291 0.558 -11.572 1.00 31.40 O ATOM 198 CB VAL A 17 -8.439 3.074 -10.439 1.00 12.23 C ATOM 199 CG1 VAL A 17 -8.223 4.072 -11.578 1.00 54.55 C ATOM 200 CG2 VAL A 17 -9.144 3.723 -9.301 1.00 71.24 C ATOM 0 H VAL A 17 -8.676 0.571 -9.325 1.00 35.33 H new ATOM 0 HA VAL A 17 -10.152 2.106 -11.350 1.00 61.24 H new ATOM 0 HB VAL A 17 -7.460 2.747 -10.088 1.00 12.23 H new ATOM 0 HG11 VAL A 17 -7.691 4.945 -11.201 1.00 54.55 H new ATOM 0 HG12 VAL A 17 -7.635 3.602 -12.367 1.00 54.55 H new ATOM 0 HG13 VAL A 17 -9.188 4.380 -11.979 1.00 54.55 H new ATOM 0 HG21 VAL A 17 -8.588 4.606 -8.985 1.00 71.24 H new ATOM 0 HG22 VAL A 17 -10.146 4.018 -9.614 1.00 71.24 H new ATOM 0 HG23 VAL A 17 -9.215 3.022 -8.470 1.00 71.24 H new ATOM 206 N LYS A 18 -8.689 1.229 -13.157 1.00 4.43 N ATOM 207 CA LYS A 18 -7.877 0.749 -14.211 1.00 35.44 C ATOM 208 C LYS A 18 -7.041 1.866 -14.724 1.00 4.31 C ATOM 209 O LYS A 18 -7.412 2.582 -15.658 1.00 42.25 O ATOM 210 CB LYS A 18 -8.686 0.098 -15.300 1.00 23.22 C ATOM 211 CG LYS A 18 -9.394 -1.143 -14.820 1.00 14.42 C ATOM 212 CD LYS A 18 -10.294 -1.734 -15.885 1.00 5.23 C ATOM 213 CE LYS A 18 -9.508 -2.136 -17.127 1.00 41.04 C ATOM 214 NZ LYS A 18 -10.385 -2.707 -18.165 1.00 53.41 N ATOM 0 H LYS A 18 -9.575 1.636 -13.457 1.00 4.43 H new ATOM 0 HA LYS A 18 -7.224 -0.034 -13.826 1.00 35.44 H new ATOM 0 HB2 LYS A 18 -9.420 0.809 -15.679 1.00 23.22 H new ATOM 0 HB3 LYS A 18 -8.031 -0.159 -16.133 1.00 23.22 H new ATOM 0 HG2 LYS A 18 -8.656 -1.886 -14.516 1.00 14.42 H new ATOM 0 HG3 LYS A 18 -9.987 -0.903 -13.937 1.00 14.42 H new ATOM 0 HD2 LYS A 18 -10.810 -2.606 -15.483 1.00 5.23 H new ATOM 0 HD3 LYS A 18 -11.060 -1.008 -16.158 1.00 5.23 H new ATOM 0 HE2 LYS A 18 -8.989 -1.265 -17.527 1.00 41.04 H new ATOM 0 HE3 LYS A 18 -8.744 -2.864 -16.855 1.00 41.04 H new ATOM 0 HZ1 LYS A 18 -9.816 -2.969 -18.995 1.00 53.41 H new ATOM 0 HZ2 LYS A 18 -10.861 -3.553 -17.791 1.00 53.41 H new ATOM 0 HZ3 LYS A 18 -11.098 -2.003 -18.443 1.00 53.41 H new ATOM 228 N GLY A 19 -5.978 2.073 -14.039 1.00 14.12 N ATOM 229 CA GLY A 19 -5.050 3.112 -14.383 1.00 24.04 C ATOM 230 C GLY A 19 -3.697 2.834 -13.812 1.00 33.33 C ATOM 231 O GLY A 19 -3.527 1.863 -13.090 1.00 24.44 O ATOM 0 H GLY A 19 -5.716 1.529 -13.217 1.00 14.12 H new ATOM 0 HA2 GLY A 19 -4.980 3.197 -15.467 1.00 24.04 H new ATOM 0 HA3 GLY A 19 -5.416 4.069 -14.011 1.00 24.04 H new ATOM 235 N ASP A 20 -2.738 3.681 -14.122 1.00 51.25 N ATOM 236 CA ASP A 20 -1.364 3.498 -13.646 1.00 5.35 C ATOM 237 C ASP A 20 -1.254 3.907 -12.177 1.00 3.21 C ATOM 238 O ASP A 20 -1.772 4.949 -11.773 1.00 52.41 O ATOM 239 CB ASP A 20 -0.388 4.331 -14.489 1.00 13.03 C ATOM 240 CG ASP A 20 1.064 4.180 -14.056 1.00 12.33 C ATOM 241 OD1 ASP A 20 1.520 4.948 -13.211 1.00 61.30 O ATOM 242 OD2 ASP A 20 1.772 3.305 -14.595 1.00 2.55 O ATOM 0 H ASP A 20 -2.875 4.508 -14.703 1.00 51.25 H new ATOM 0 HA ASP A 20 -1.105 2.444 -13.744 1.00 5.35 H new ATOM 0 HB2 ASP A 20 -0.480 4.037 -15.535 1.00 13.03 H new ATOM 0 HB3 ASP A 20 -0.671 5.382 -14.427 1.00 13.03 H new ATOM 247 N LEU A 21 -0.572 3.093 -11.406 1.00 44.10 N ATOM 248 CA LEU A 21 -0.410 3.289 -9.967 1.00 11.12 C ATOM 249 C LEU A 21 0.440 4.534 -9.647 1.00 24.45 C ATOM 250 O LEU A 21 0.166 5.253 -8.691 1.00 33.52 O ATOM 251 CB LEU A 21 0.185 1.965 -9.380 1.00 74.01 C ATOM 252 CG LEU A 21 0.531 1.827 -7.882 1.00 30.10 C ATOM 253 CD1 LEU A 21 1.778 2.582 -7.520 1.00 13.42 C ATOM 254 CD2 LEU A 21 -0.630 2.248 -7.005 1.00 33.10 C ATOM 0 H LEU A 21 -0.102 2.259 -11.758 1.00 44.10 H new ATOM 0 HA LEU A 21 -1.372 3.490 -9.496 1.00 11.12 H new ATOM 0 HB2 LEU A 21 -0.521 1.169 -9.616 1.00 74.01 H new ATOM 0 HB3 LEU A 21 1.099 1.755 -9.936 1.00 74.01 H new ATOM 0 HG LEU A 21 0.726 0.770 -7.699 1.00 30.10 H new ATOM 0 HD11 LEU A 21 1.983 2.457 -6.457 1.00 13.42 H new ATOM 0 HD12 LEU A 21 2.617 2.197 -8.099 1.00 13.42 H new ATOM 0 HD13 LEU A 21 1.639 3.640 -7.741 1.00 13.42 H new ATOM 0 HD21 LEU A 21 -0.353 2.138 -5.957 1.00 33.10 H new ATOM 0 HD22 LEU A 21 -0.880 3.290 -7.207 1.00 33.10 H new ATOM 0 HD23 LEU A 21 -1.494 1.619 -7.219 1.00 33.10 H new ATOM 262 N PHE A 22 1.437 4.787 -10.465 1.00 70.23 N ATOM 263 CA PHE A 22 2.389 5.875 -10.249 1.00 33.41 C ATOM 264 C PHE A 22 1.861 7.254 -10.662 1.00 73.11 C ATOM 265 O PHE A 22 2.564 8.273 -10.537 1.00 61.22 O ATOM 266 CB PHE A 22 3.750 5.543 -10.852 1.00 64.23 C ATOM 267 CG PHE A 22 4.334 4.319 -10.212 1.00 54.41 C ATOM 268 CD1 PHE A 22 4.934 4.402 -8.967 1.00 70.34 C ATOM 269 CD2 PHE A 22 4.241 3.079 -10.824 1.00 35.24 C ATOM 270 CE1 PHE A 22 5.438 3.283 -8.351 1.00 55.41 C ATOM 271 CE2 PHE A 22 4.735 1.958 -10.208 1.00 54.13 C ATOM 272 CZ PHE A 22 5.337 2.059 -8.970 1.00 74.04 C ATOM 0 H PHE A 22 1.619 4.244 -11.309 1.00 70.23 H new ATOM 0 HA PHE A 22 2.526 5.958 -9.171 1.00 33.41 H new ATOM 0 HB2 PHE A 22 3.648 5.383 -11.925 1.00 64.23 H new ATOM 0 HB3 PHE A 22 4.427 6.387 -10.718 1.00 64.23 H new ATOM 0 HD1 PHE A 22 5.007 5.360 -8.474 1.00 70.34 H new ATOM 0 HD2 PHE A 22 3.775 2.995 -11.795 1.00 35.24 H new ATOM 0 HE1 PHE A 22 5.912 3.364 -7.384 1.00 55.41 H new ATOM 0 HE2 PHE A 22 4.653 0.996 -10.692 1.00 54.13 H new ATOM 0 HZ PHE A 22 5.729 1.176 -8.487 1.00 74.04 H new ATOM 282 N ALA A 23 0.622 7.286 -11.133 1.00 13.10 N ATOM 283 CA ALA A 23 -0.066 8.524 -11.544 1.00 62.52 C ATOM 284 C ALA A 23 -0.559 9.318 -10.307 1.00 0.42 C ATOM 285 O ALA A 23 -1.361 10.245 -10.422 1.00 3.00 O ATOM 286 CB ALA A 23 -1.236 8.182 -12.462 1.00 0.34 C ATOM 0 H ALA A 23 0.051 6.448 -11.246 1.00 13.10 H new ATOM 0 HA ALA A 23 0.640 9.153 -12.086 1.00 62.52 H new ATOM 0 HB1 ALA A 23 -1.742 9.099 -12.764 1.00 0.34 H new ATOM 0 HB2 ALA A 23 -0.865 7.664 -13.347 1.00 0.34 H new ATOM 0 HB3 ALA A 23 -1.938 7.538 -11.932 1.00 0.34 H new ATOM 292 N CYS A 24 -0.038 8.925 -9.164 1.00 62.32 N ATOM 293 CA CYS A 24 -0.329 9.428 -7.826 1.00 51.23 C ATOM 294 C CYS A 24 -0.666 10.909 -7.712 1.00 53.33 C ATOM 295 O CYS A 24 0.153 11.779 -8.034 1.00 53.10 O ATOM 296 CB CYS A 24 0.883 9.181 -6.964 1.00 14.32 C ATOM 297 SG CYS A 24 1.392 7.469 -6.875 1.00 31.35 S ATOM 0 H CYS A 24 0.660 8.182 -9.138 1.00 62.32 H new ATOM 0 HA CYS A 24 -1.228 8.895 -7.515 1.00 51.23 H new ATOM 0 HB2 CYS A 24 1.713 9.774 -7.347 1.00 14.32 H new ATOM 0 HB3 CYS A 24 0.675 9.538 -5.955 1.00 14.32 H new ATOM 0 HG CYS A 24 0.733 6.774 -7.754 1.00 31.35 H new ATOM 303 N PRO A 25 -1.904 11.203 -7.295 1.00 31.32 N ATOM 304 CA PRO A 25 -2.300 12.545 -6.839 1.00 13.12 C ATOM 305 C PRO A 25 -1.497 12.977 -5.572 1.00 45.23 C ATOM 306 O PRO A 25 -0.610 12.252 -5.085 1.00 34.20 O ATOM 307 CB PRO A 25 -3.773 12.354 -6.445 1.00 44.24 C ATOM 308 CG PRO A 25 -4.238 11.169 -7.210 1.00 12.04 C ATOM 309 CD PRO A 25 -3.054 10.265 -7.333 1.00 45.33 C ATOM 0 HA PRO A 25 -2.125 13.306 -7.599 1.00 13.12 H new ATOM 0 HB2 PRO A 25 -3.874 12.193 -5.372 1.00 44.24 H new ATOM 0 HB3 PRO A 25 -4.363 13.237 -6.692 1.00 44.24 H new ATOM 0 HG2 PRO A 25 -5.058 10.669 -6.694 1.00 12.04 H new ATOM 0 HG3 PRO A 25 -4.610 11.460 -8.192 1.00 12.04 H new ATOM 0 HD2 PRO A 25 -3.012 9.544 -6.517 1.00 45.33 H new ATOM 0 HD3 PRO A 25 -3.078 9.695 -8.262 1.00 45.33 H new ATOM 317 N LYS A 26 -1.811 14.136 -5.042 1.00 54.31 N ATOM 318 CA LYS A 26 -1.149 14.636 -3.840 1.00 22.03 C ATOM 319 C LYS A 26 -1.691 13.928 -2.582 1.00 53.31 C ATOM 320 O LYS A 26 -0.955 13.650 -1.633 1.00 60.15 O ATOM 321 CB LYS A 26 -1.327 16.163 -3.722 1.00 32.00 C ATOM 322 CG LYS A 26 -0.654 16.792 -2.498 1.00 1.44 C ATOM 323 CD LYS A 26 0.863 16.594 -2.494 1.00 30.40 C ATOM 324 CE LYS A 26 1.529 17.282 -3.677 1.00 33.33 C ATOM 325 NZ LYS A 26 2.988 17.125 -3.651 1.00 44.24 N ATOM 0 H LYS A 26 -2.524 14.760 -5.420 1.00 54.31 H new ATOM 0 HA LYS A 26 -0.084 14.417 -3.920 1.00 22.03 H new ATOM 0 HB2 LYS A 26 -0.927 16.632 -4.621 1.00 32.00 H new ATOM 0 HB3 LYS A 26 -2.393 16.390 -3.691 1.00 32.00 H new ATOM 0 HG2 LYS A 26 -0.878 17.859 -2.473 1.00 1.44 H new ATOM 0 HG3 LYS A 26 -1.076 16.357 -1.592 1.00 1.44 H new ATOM 0 HD2 LYS A 26 1.278 16.986 -1.565 1.00 30.40 H new ATOM 0 HD3 LYS A 26 1.090 15.528 -2.519 1.00 30.40 H new ATOM 0 HE2 LYS A 26 1.136 16.869 -4.606 1.00 33.33 H new ATOM 0 HE3 LYS A 26 1.278 18.343 -3.669 1.00 33.33 H new ATOM 0 HZ1 LYS A 26 3.424 17.826 -4.284 1.00 44.24 H new ATOM 0 HZ2 LYS A 26 3.336 17.270 -2.682 1.00 44.24 H new ATOM 0 HZ3 LYS A 26 3.240 16.168 -3.969 1.00 44.24 H new ATOM 339 N THR A 27 -2.973 13.620 -2.606 1.00 61.12 N ATOM 340 CA THR A 27 -3.652 12.980 -1.479 1.00 21.44 C ATOM 341 C THR A 27 -3.365 11.448 -1.464 1.00 3.22 C ATOM 342 O THR A 27 -3.712 10.735 -0.533 1.00 74.44 O ATOM 343 CB THR A 27 -5.177 13.246 -1.615 1.00 20.03 C ATOM 344 OG1 THR A 27 -5.386 14.660 -1.796 1.00 42.14 O ATOM 345 CG2 THR A 27 -5.941 12.806 -0.376 1.00 74.43 C ATOM 0 H THR A 27 -3.580 13.804 -3.405 1.00 61.12 H new ATOM 0 HA THR A 27 -3.283 13.394 -0.541 1.00 21.44 H new ATOM 0 HB THR A 27 -5.543 12.674 -2.468 1.00 20.03 H new ATOM 0 HG1 THR A 27 -6.345 14.840 -1.885 1.00 42.14 H new ATOM 0 HG21 THR A 27 -7.003 13.009 -0.512 1.00 74.43 H new ATOM 0 HG22 THR A 27 -5.794 11.738 -0.218 1.00 74.43 H new ATOM 0 HG23 THR A 27 -5.575 13.355 0.491 1.00 74.43 H new ATOM 351 N ASP A 28 -2.698 10.999 -2.484 1.00 10.30 N ATOM 352 CA ASP A 28 -2.404 9.582 -2.709 1.00 22.32 C ATOM 353 C ASP A 28 -1.305 9.068 -1.762 1.00 51.50 C ATOM 354 O ASP A 28 -0.196 9.596 -1.747 1.00 12.42 O ATOM 355 CB ASP A 28 -1.936 9.460 -4.155 1.00 11.41 C ATOM 356 CG ASP A 28 -1.608 8.061 -4.636 1.00 22.32 C ATOM 357 OD1 ASP A 28 -0.465 7.601 -4.432 1.00 44.03 O ATOM 358 OD2 ASP A 28 -2.474 7.434 -5.277 1.00 51.30 O ATOM 0 H ASP A 28 -2.326 11.609 -3.212 1.00 10.30 H new ATOM 0 HA ASP A 28 -3.293 8.982 -2.515 1.00 22.32 H new ATOM 0 HB2 ASP A 28 -2.711 9.872 -4.802 1.00 11.41 H new ATOM 0 HB3 ASP A 28 -1.050 10.083 -4.282 1.00 11.41 H new ATOM 363 N SER A 29 -1.615 8.080 -0.955 1.00 64.14 N ATOM 364 CA SER A 29 -0.612 7.442 -0.124 1.00 10.00 C ATOM 365 C SER A 29 -0.383 5.995 -0.582 1.00 41.21 C ATOM 366 O SER A 29 -1.248 5.137 -0.411 1.00 30.32 O ATOM 367 CB SER A 29 -1.002 7.512 1.350 1.00 22.15 C ATOM 368 OG SER A 29 -1.103 8.869 1.775 1.00 0.31 O ATOM 0 H SER A 29 -2.555 7.698 -0.854 1.00 64.14 H new ATOM 0 HA SER A 29 0.329 7.981 -0.235 1.00 10.00 H new ATOM 0 HB2 SER A 29 -1.954 7.004 1.505 1.00 22.15 H new ATOM 0 HB3 SER A 29 -0.260 6.990 1.954 1.00 22.15 H new ATOM 0 HG SER A 29 -0.878 8.931 2.727 1.00 0.31 H new ATOM 374 N LEU A 30 0.779 5.749 -1.174 1.00 31.31 N ATOM 375 CA LEU A 30 1.123 4.443 -1.744 1.00 50.45 C ATOM 376 C LEU A 30 1.443 3.425 -0.683 1.00 72.33 C ATOM 377 O LEU A 30 2.104 3.729 0.288 1.00 4.22 O ATOM 378 CB LEU A 30 2.323 4.568 -2.682 1.00 43.24 C ATOM 379 CG LEU A 30 2.121 5.436 -3.906 1.00 23.11 C ATOM 380 CD1 LEU A 30 3.448 5.744 -4.573 1.00 31.13 C ATOM 381 CD2 LEU A 30 1.270 4.681 -4.867 1.00 12.11 C ATOM 0 H LEU A 30 1.515 6.448 -1.275 1.00 31.31 H new ATOM 0 HA LEU A 30 0.246 4.103 -2.295 1.00 50.45 H new ATOM 0 HB2 LEU A 30 3.163 4.966 -2.113 1.00 43.24 H new ATOM 0 HB3 LEU A 30 2.606 3.569 -3.012 1.00 43.24 H new ATOM 0 HG LEU A 30 1.653 6.375 -3.610 1.00 23.11 H new ATOM 0 HD11 LEU A 30 3.278 6.369 -5.450 1.00 31.13 H new ATOM 0 HD12 LEU A 30 4.094 6.271 -3.871 1.00 31.13 H new ATOM 0 HD13 LEU A 30 3.927 4.813 -4.878 1.00 31.13 H new ATOM 0 HD21 LEU A 30 1.108 5.284 -5.761 1.00 12.11 H new ATOM 0 HD22 LEU A 30 1.768 3.751 -5.142 1.00 12.11 H new ATOM 0 HD23 LEU A 30 0.310 4.454 -4.403 1.00 12.11 H new ATOM 389 N ALA A 31 0.974 2.226 -0.885 1.00 73.44 N ATOM 390 CA ALA A 31 1.246 1.126 -0.005 1.00 22.13 C ATOM 391 C ALA A 31 1.451 -0.129 -0.818 1.00 43.43 C ATOM 392 O ALA A 31 0.899 -0.261 -1.910 1.00 42.44 O ATOM 393 CB ALA A 31 0.098 0.926 0.960 1.00 55.53 C ATOM 0 H ALA A 31 0.382 1.982 -1.679 1.00 73.44 H new ATOM 0 HA ALA A 31 2.148 1.345 0.566 1.00 22.13 H new ATOM 0 HB1 ALA A 31 0.320 0.088 1.621 1.00 55.53 H new ATOM 0 HB2 ALA A 31 -0.040 1.830 1.554 1.00 55.53 H new ATOM 0 HB3 ALA A 31 -0.814 0.716 0.402 1.00 55.53 H new ATOM 399 N HIS A 32 2.279 -1.021 -0.318 1.00 34.20 N ATOM 400 CA HIS A 32 2.509 -2.318 -0.943 1.00 71.02 C ATOM 401 C HIS A 32 3.319 -3.184 -0.024 1.00 34.23 C ATOM 402 O HIS A 32 3.883 -2.691 0.954 1.00 24.32 O ATOM 403 CB HIS A 32 3.198 -2.216 -2.326 1.00 33.54 C ATOM 404 CG HIS A 32 4.569 -1.618 -2.314 1.00 61.32 C ATOM 405 ND1 HIS A 32 5.723 -2.364 -2.469 1.00 33.55 N ATOM 406 CD2 HIS A 32 4.967 -0.333 -2.223 1.00 72.32 C ATOM 407 CE1 HIS A 32 6.754 -1.564 -2.483 1.00 20.21 C ATOM 408 NE2 HIS A 32 6.327 -0.327 -2.335 1.00 42.53 N ATOM 0 H HIS A 32 2.816 -0.872 0.536 1.00 34.20 H new ATOM 0 HA HIS A 32 1.531 -2.765 -1.118 1.00 71.02 H new ATOM 0 HB2 HIS A 32 3.259 -3.215 -2.758 1.00 33.54 H new ATOM 0 HB3 HIS A 32 2.566 -1.622 -2.986 1.00 33.54 H new ATOM 0 HD2 HIS A 32 4.330 0.529 -2.087 1.00 72.32 H new ATOM 0 HE1 HIS A 32 7.785 -1.866 -2.597 1.00 20.21 H new ATOM 0 HE2 HIS A 32 6.919 0.503 -2.308 1.00 42.53 H new ATOM 417 N CYS A 33 3.400 -4.434 -0.343 1.00 3.15 N ATOM 418 CA CYS A 33 4.120 -5.376 0.451 1.00 22.43 C ATOM 419 C CYS A 33 5.491 -5.632 -0.161 1.00 64.55 C ATOM 420 O CYS A 33 5.677 -5.468 -1.382 1.00 41.11 O ATOM 421 CB CYS A 33 3.338 -6.683 0.490 1.00 32.13 C ATOM 422 SG CYS A 33 1.636 -6.520 1.055 1.00 23.53 S ATOM 0 H CYS A 33 2.963 -4.835 -1.173 1.00 3.15 H new ATOM 0 HA CYS A 33 4.247 -4.981 1.459 1.00 22.43 H new ATOM 0 HB2 CYS A 33 3.335 -7.120 -0.509 1.00 32.13 H new ATOM 0 HB3 CYS A 33 3.859 -7.384 1.143 1.00 32.13 H new ATOM 0 HG CYS A 33 1.063 -7.687 1.048 1.00 23.53 H new ATOM 428 N ILE A 34 6.447 -5.949 0.696 1.00 12.24 N ATOM 429 CA ILE A 34 7.784 -6.410 0.325 1.00 54.02 C ATOM 430 C ILE A 34 8.282 -7.312 1.432 1.00 55.31 C ATOM 431 O ILE A 34 7.618 -7.447 2.460 1.00 43.45 O ATOM 432 CB ILE A 34 8.837 -5.289 0.093 1.00 23.22 C ATOM 433 CG1 ILE A 34 9.016 -4.423 1.328 1.00 32.15 C ATOM 434 CG2 ILE A 34 8.515 -4.447 -1.133 1.00 13.14 C ATOM 435 CD1 ILE A 34 10.123 -3.425 1.173 1.00 2.50 C ATOM 0 H ILE A 34 6.314 -5.892 1.706 1.00 12.24 H new ATOM 0 HA ILE A 34 7.679 -6.915 -0.635 1.00 54.02 H new ATOM 0 HB ILE A 34 9.788 -5.786 -0.100 1.00 23.22 H new ATOM 0 HG12 ILE A 34 8.084 -3.898 1.538 1.00 32.15 H new ATOM 0 HG13 ILE A 34 9.223 -5.060 2.188 1.00 32.15 H new ATOM 0 HG21 ILE A 34 9.277 -3.677 -1.256 1.00 13.14 H new ATOM 0 HG22 ILE A 34 8.497 -5.084 -2.017 1.00 13.14 H new ATOM 0 HG23 ILE A 34 7.540 -3.976 -1.005 1.00 13.14 H new ATOM 0 HD11 ILE A 34 10.208 -2.832 2.084 1.00 2.50 H new ATOM 0 HD12 ILE A 34 11.062 -3.948 0.991 1.00 2.50 H new ATOM 0 HD13 ILE A 34 9.905 -2.768 0.331 1.00 2.50 H new ATOM 442 N SER A 35 9.409 -7.930 1.245 1.00 1.52 N ATOM 443 CA SER A 35 9.946 -8.819 2.246 1.00 3.22 C ATOM 444 C SER A 35 10.871 -8.055 3.220 1.00 41.44 C ATOM 445 O SER A 35 11.318 -6.944 2.924 1.00 22.35 O ATOM 446 CB SER A 35 10.727 -9.912 1.553 1.00 54.42 C ATOM 447 OG SER A 35 9.932 -10.546 0.578 1.00 40.11 O ATOM 0 H SER A 35 9.982 -7.838 0.406 1.00 1.52 H new ATOM 0 HA SER A 35 9.126 -9.247 2.822 1.00 3.22 H new ATOM 0 HB2 SER A 35 11.617 -9.491 1.086 1.00 54.42 H new ATOM 0 HB3 SER A 35 11.067 -10.644 2.285 1.00 54.42 H new ATOM 0 HG SER A 35 9.459 -11.302 0.983 1.00 40.11 H new ATOM 453 N GLU A 36 11.163 -8.686 4.353 1.00 23.25 N ATOM 454 CA GLU A 36 12.002 -8.136 5.432 1.00 44.30 C ATOM 455 C GLU A 36 13.433 -7.917 4.947 1.00 21.31 C ATOM 456 O GLU A 36 14.147 -7.029 5.421 1.00 74.01 O ATOM 457 CB GLU A 36 11.991 -9.132 6.598 1.00 53.42 C ATOM 458 CG GLU A 36 12.697 -8.685 7.853 1.00 13.54 C ATOM 459 CD GLU A 36 12.652 -9.739 8.931 1.00 63.44 C ATOM 460 OE1 GLU A 36 11.573 -9.916 9.562 1.00 63.33 O ATOM 461 OE2 GLU A 36 13.683 -10.412 9.158 1.00 1.43 O ATOM 0 H GLU A 36 10.816 -9.623 4.560 1.00 23.25 H new ATOM 0 HA GLU A 36 11.606 -7.171 5.750 1.00 44.30 H new ATOM 0 HB2 GLU A 36 10.954 -9.357 6.848 1.00 53.42 H new ATOM 0 HB3 GLU A 36 12.447 -10.063 6.260 1.00 53.42 H new ATOM 0 HG2 GLU A 36 13.735 -8.448 7.620 1.00 13.54 H new ATOM 0 HG3 GLU A 36 12.236 -7.769 8.222 1.00 13.54 H new ATOM 468 N ASP A 37 13.827 -8.714 3.978 1.00 60.21 N ATOM 469 CA ASP A 37 15.166 -8.652 3.401 1.00 0.00 C ATOM 470 C ASP A 37 15.333 -7.379 2.544 1.00 73.23 C ATOM 471 O ASP A 37 16.448 -6.984 2.192 1.00 3.41 O ATOM 472 CB ASP A 37 15.428 -9.927 2.594 1.00 64.21 C ATOM 473 CG ASP A 37 16.827 -10.019 2.040 1.00 51.03 C ATOM 474 OD1 ASP A 37 17.777 -10.260 2.814 1.00 14.14 O ATOM 475 OD2 ASP A 37 16.995 -9.851 0.836 1.00 13.34 O ATOM 0 H ASP A 37 13.230 -9.429 3.561 1.00 60.21 H new ATOM 0 HA ASP A 37 15.907 -8.594 4.198 1.00 0.00 H new ATOM 0 HB2 ASP A 37 15.241 -10.793 3.229 1.00 64.21 H new ATOM 0 HB3 ASP A 37 14.717 -9.977 1.770 1.00 64.21 H new ATOM 480 N CYS A 38 14.192 -6.745 2.245 1.00 72.22 N ATOM 481 CA CYS A 38 14.097 -5.457 1.534 1.00 32.30 C ATOM 482 C CYS A 38 14.496 -5.524 0.052 1.00 22.41 C ATOM 483 O CYS A 38 14.658 -4.492 -0.598 1.00 62.33 O ATOM 484 CB CYS A 38 14.864 -4.356 2.273 1.00 25.50 C ATOM 485 SG CYS A 38 14.378 -4.183 4.016 1.00 71.12 S ATOM 0 H CYS A 38 13.279 -7.124 2.498 1.00 72.22 H new ATOM 0 HA CYS A 38 13.037 -5.202 1.534 1.00 32.30 H new ATOM 0 HB2 CYS A 38 15.932 -4.569 2.221 1.00 25.50 H new ATOM 0 HB3 CYS A 38 14.703 -3.406 1.763 1.00 25.50 H new ATOM 0 HG CYS A 38 14.311 -5.359 4.566 1.00 71.12 H new ATOM 491 N ARG A 39 14.639 -6.714 -0.490 1.00 52.42 N ATOM 492 CA ARG A 39 14.863 -6.839 -1.915 1.00 15.03 C ATOM 493 C ARG A 39 13.537 -6.830 -2.629 1.00 42.42 C ATOM 494 O ARG A 39 12.863 -7.848 -2.732 1.00 44.32 O ATOM 495 CB ARG A 39 15.682 -8.071 -2.273 1.00 62.23 C ATOM 496 CG ARG A 39 17.108 -8.005 -1.784 1.00 5.14 C ATOM 497 CD ARG A 39 17.865 -9.271 -2.113 1.00 61.13 C ATOM 498 NE ARG A 39 19.256 -9.199 -1.662 1.00 61.12 N ATOM 499 CZ ARG A 39 19.983 -10.248 -1.263 1.00 4.32 C ATOM 500 NH1 ARG A 39 19.468 -11.466 -1.273 1.00 2.23 N ATOM 501 NH2 ARG A 39 21.230 -10.071 -0.847 1.00 21.34 N ATOM 0 H ARG A 39 14.605 -7.595 0.023 1.00 52.42 H new ATOM 0 HA ARG A 39 15.455 -5.985 -2.243 1.00 15.03 H new ATOM 0 HB2 ARG A 39 15.201 -8.953 -1.850 1.00 62.23 H new ATOM 0 HB3 ARG A 39 15.682 -8.196 -3.356 1.00 62.23 H new ATOM 0 HG2 ARG A 39 17.610 -7.151 -2.238 1.00 5.14 H new ATOM 0 HG3 ARG A 39 17.117 -7.844 -0.706 1.00 5.14 H new ATOM 0 HD2 ARG A 39 17.373 -10.123 -1.643 1.00 61.13 H new ATOM 0 HD3 ARG A 39 17.839 -9.442 -3.189 1.00 61.13 H new ATOM 0 HE ARG A 39 19.703 -8.282 -1.651 1.00 61.12 H new ATOM 0 HH11 ARG A 39 18.508 -11.611 -1.587 1.00 2.23 H new ATOM 0 HH12 ARG A 39 20.030 -12.260 -0.967 1.00 2.23 H new ATOM 0 HH21 ARG A 39 21.634 -9.135 -0.831 1.00 21.34 H new ATOM 0 HH22 ARG A 39 21.785 -10.871 -0.543 1.00 21.34 H new ATOM 513 N MET A 40 13.137 -5.659 -3.064 1.00 63.32 N ATOM 514 CA MET A 40 11.851 -5.485 -3.701 1.00 52.02 C ATOM 515 C MET A 40 11.975 -5.570 -5.223 1.00 62.24 C ATOM 516 O MET A 40 10.986 -5.405 -5.955 1.00 61.32 O ATOM 517 CB MET A 40 11.226 -4.131 -3.319 1.00 22.11 C ATOM 518 CG MET A 40 11.908 -2.897 -3.926 1.00 42.21 C ATOM 519 SD MET A 40 13.548 -2.552 -3.258 1.00 22.24 S ATOM 520 CE MET A 40 13.135 -1.969 -1.617 1.00 41.24 C ATOM 0 H MET A 40 13.689 -4.804 -2.988 1.00 63.32 H new ATOM 0 HA MET A 40 11.205 -6.290 -3.350 1.00 52.02 H new ATOM 0 HB2 MET A 40 10.180 -4.134 -3.624 1.00 22.11 H new ATOM 0 HB3 MET A 40 11.241 -4.036 -2.233 1.00 22.11 H new ATOM 0 HG2 MET A 40 11.989 -3.035 -5.004 1.00 42.21 H new ATOM 0 HG3 MET A 40 11.272 -2.027 -3.763 1.00 42.21 H new ATOM 0 HE1 MET A 40 14.003 -2.069 -0.966 1.00 41.24 H new ATOM 0 HE2 MET A 40 12.838 -0.921 -1.667 1.00 41.24 H new ATOM 0 HE3 MET A 40 12.311 -2.561 -1.217 1.00 41.24 H new ATOM 530 N GLY A 41 13.165 -5.840 -5.694 1.00 53.33 N ATOM 531 CA GLY A 41 13.425 -5.837 -7.109 1.00 45.21 C ATOM 532 C GLY A 41 12.956 -7.094 -7.829 1.00 64.42 C ATOM 533 O GLY A 41 13.758 -7.791 -8.464 1.00 40.32 O ATOM 0 H GLY A 41 13.973 -6.066 -5.114 1.00 53.33 H new ATOM 0 HA2 GLY A 41 12.936 -4.971 -7.556 1.00 45.21 H new ATOM 0 HA3 GLY A 41 14.496 -5.717 -7.271 1.00 45.21 H new ATOM 537 N ALA A 42 11.673 -7.389 -7.739 1.00 13.15 N ATOM 538 CA ALA A 42 11.117 -8.561 -8.413 1.00 34.34 C ATOM 539 C ALA A 42 9.786 -8.280 -9.124 1.00 43.54 C ATOM 540 O ALA A 42 9.230 -9.173 -9.770 1.00 11.33 O ATOM 541 CB ALA A 42 10.953 -9.713 -7.438 1.00 13.52 C ATOM 0 H ALA A 42 10.994 -6.841 -7.210 1.00 13.15 H new ATOM 0 HA ALA A 42 11.835 -8.834 -9.186 1.00 34.34 H new ATOM 0 HB1 ALA A 42 10.538 -10.575 -7.960 1.00 13.52 H new ATOM 0 HB2 ALA A 42 11.924 -9.976 -7.019 1.00 13.52 H new ATOM 0 HB3 ALA A 42 10.279 -9.416 -6.634 1.00 13.52 H new ATOM 547 N GLY A 43 9.286 -7.063 -9.026 1.00 61.41 N ATOM 548 CA GLY A 43 8.005 -6.740 -9.651 1.00 75.01 C ATOM 549 C GLY A 43 7.748 -5.261 -9.652 1.00 24.43 C ATOM 550 O GLY A 43 8.671 -4.489 -9.796 1.00 72.02 O ATOM 0 H GLY A 43 9.732 -6.291 -8.531 1.00 61.41 H new ATOM 0 HA2 GLY A 43 7.995 -7.112 -10.675 1.00 75.01 H new ATOM 0 HA3 GLY A 43 7.201 -7.249 -9.119 1.00 75.01 H new ATOM 554 N ILE A 44 6.501 -4.859 -9.442 1.00 33.53 N ATOM 555 CA ILE A 44 6.127 -3.422 -9.407 1.00 63.10 C ATOM 556 C ILE A 44 6.918 -2.663 -8.318 1.00 55.15 C ATOM 557 O ILE A 44 7.110 -1.453 -8.388 1.00 61.35 O ATOM 558 CB ILE A 44 4.584 -3.216 -9.207 1.00 51.23 C ATOM 559 CG1 ILE A 44 4.230 -1.708 -9.177 1.00 11.21 C ATOM 560 CG2 ILE A 44 4.096 -3.920 -7.937 1.00 51.31 C ATOM 561 CD1 ILE A 44 2.767 -1.404 -8.954 1.00 75.12 C ATOM 0 H ILE A 44 5.719 -5.497 -9.291 1.00 33.53 H new ATOM 0 HA ILE A 44 6.391 -3.007 -10.380 1.00 63.10 H new ATOM 0 HB ILE A 44 4.070 -3.667 -10.056 1.00 51.23 H new ATOM 0 HG12 ILE A 44 4.810 -1.229 -8.389 1.00 11.21 H new ATOM 0 HG13 ILE A 44 4.540 -1.258 -10.120 1.00 11.21 H new ATOM 0 HG21 ILE A 44 3.024 -3.761 -7.822 1.00 51.31 H new ATOM 0 HG22 ILE A 44 4.299 -4.988 -8.012 1.00 51.31 H new ATOM 0 HG23 ILE A 44 4.618 -3.512 -7.071 1.00 51.31 H new ATOM 0 HD11 ILE A 44 2.616 -0.324 -8.949 1.00 75.12 H new ATOM 0 HD12 ILE A 44 2.177 -1.849 -9.755 1.00 75.12 H new ATOM 0 HD13 ILE A 44 2.451 -1.819 -7.997 1.00 75.12 H new ATOM 568 N ALA A 45 7.397 -3.395 -7.345 1.00 74.31 N ATOM 569 CA ALA A 45 8.193 -2.836 -6.292 1.00 65.01 C ATOM 570 C ALA A 45 9.524 -2.249 -6.822 1.00 0.40 C ATOM 571 O ALA A 45 10.094 -1.353 -6.205 1.00 55.31 O ATOM 572 CB ALA A 45 8.376 -3.822 -5.167 1.00 40.03 C ATOM 0 H ALA A 45 7.243 -4.400 -7.264 1.00 74.31 H new ATOM 0 HA ALA A 45 7.651 -1.989 -5.871 1.00 65.01 H new ATOM 0 HB1 ALA A 45 8.984 -3.371 -4.383 1.00 40.03 H new ATOM 0 HB2 ALA A 45 7.402 -4.094 -4.760 1.00 40.03 H new ATOM 0 HB3 ALA A 45 8.875 -4.715 -5.543 1.00 40.03 H new ATOM 578 N VAL A 46 10.005 -2.774 -7.973 1.00 62.13 N ATOM 579 CA VAL A 46 11.205 -2.234 -8.657 1.00 65.01 C ATOM 580 C VAL A 46 10.954 -0.760 -8.979 1.00 42.11 C ATOM 581 O VAL A 46 11.785 0.111 -8.716 1.00 64.44 O ATOM 582 CB VAL A 46 11.471 -2.965 -10.022 1.00 73.12 C ATOM 583 CG1 VAL A 46 12.680 -2.384 -10.730 1.00 45.42 C ATOM 584 CG2 VAL A 46 11.652 -4.458 -9.843 1.00 50.04 C ATOM 0 H VAL A 46 9.581 -3.571 -8.448 1.00 62.13 H new ATOM 0 HA VAL A 46 12.062 -2.377 -7.998 1.00 65.01 H new ATOM 0 HB VAL A 46 10.586 -2.802 -10.638 1.00 73.12 H new ATOM 0 HG11 VAL A 46 12.838 -2.911 -11.671 1.00 45.42 H new ATOM 0 HG12 VAL A 46 12.511 -1.326 -10.930 1.00 45.42 H new ATOM 0 HG13 VAL A 46 13.561 -2.497 -10.098 1.00 45.42 H new ATOM 0 HG21 VAL A 46 11.833 -4.921 -10.813 1.00 50.04 H new ATOM 0 HG22 VAL A 46 12.502 -4.645 -9.187 1.00 50.04 H new ATOM 0 HG23 VAL A 46 10.751 -4.883 -9.400 1.00 50.04 H new ATOM 590 N LEU A 47 9.768 -0.515 -9.517 1.00 13.34 N ATOM 591 CA LEU A 47 9.307 0.804 -9.922 1.00 0.12 C ATOM 592 C LEU A 47 9.231 1.759 -8.728 1.00 31.45 C ATOM 593 O LEU A 47 9.374 2.982 -8.885 1.00 34.54 O ATOM 594 CB LEU A 47 7.939 0.668 -10.597 1.00 5.13 C ATOM 595 CG LEU A 47 7.905 -0.123 -11.915 1.00 5.24 C ATOM 596 CD1 LEU A 47 6.470 -0.421 -12.324 1.00 33.34 C ATOM 597 CD2 LEU A 47 8.581 0.679 -13.010 1.00 14.03 C ATOM 0 H LEU A 47 9.081 -1.249 -9.688 1.00 13.34 H new ATOM 0 HA LEU A 47 10.022 1.228 -10.627 1.00 0.12 H new ATOM 0 HB2 LEU A 47 7.257 0.191 -9.894 1.00 5.13 H new ATOM 0 HB3 LEU A 47 7.551 1.668 -10.788 1.00 5.13 H new ATOM 0 HG LEU A 47 8.433 -1.065 -11.766 1.00 5.24 H new ATOM 0 HD11 LEU A 47 6.467 -0.981 -13.259 1.00 33.34 H new ATOM 0 HD12 LEU A 47 5.985 -1.011 -11.546 1.00 33.34 H new ATOM 0 HD13 LEU A 47 5.929 0.515 -12.460 1.00 33.34 H new ATOM 0 HD21 LEU A 47 8.555 0.115 -13.943 1.00 14.03 H new ATOM 0 HD22 LEU A 47 8.058 1.626 -13.143 1.00 14.03 H new ATOM 0 HD23 LEU A 47 9.617 0.873 -12.732 1.00 14.03 H new ATOM 605 N PHE A 48 8.994 1.198 -7.546 1.00 3.11 N ATOM 606 CA PHE A 48 8.979 1.969 -6.314 1.00 12.11 C ATOM 607 C PHE A 48 10.383 2.350 -5.848 1.00 74.52 C ATOM 608 O PHE A 48 10.579 3.454 -5.413 1.00 64.14 O ATOM 609 CB PHE A 48 8.243 1.260 -5.169 1.00 23.50 C ATOM 610 CG PHE A 48 6.728 1.334 -5.181 1.00 1.31 C ATOM 611 CD1 PHE A 48 6.078 2.370 -4.515 1.00 21.10 C ATOM 612 CD2 PHE A 48 5.953 0.361 -5.794 1.00 23.24 C ATOM 613 CE1 PHE A 48 4.722 2.432 -4.461 1.00 2.44 C ATOM 614 CE2 PHE A 48 4.569 0.435 -5.746 1.00 5.21 C ATOM 615 CZ PHE A 48 3.960 1.481 -5.067 1.00 72.43 C ATOM 0 H PHE A 48 8.809 0.203 -7.419 1.00 3.11 H new ATOM 0 HA PHE A 48 8.429 2.877 -6.563 1.00 12.11 H new ATOM 0 HB2 PHE A 48 8.532 0.209 -5.179 1.00 23.50 H new ATOM 0 HB3 PHE A 48 8.596 1.679 -4.227 1.00 23.50 H new ATOM 0 HD1 PHE A 48 6.663 3.139 -4.032 1.00 21.10 H new ATOM 0 HD2 PHE A 48 6.430 -0.458 -6.311 1.00 23.24 H new ATOM 0 HE1 PHE A 48 4.244 3.244 -3.932 1.00 2.44 H new ATOM 0 HE2 PHE A 48 3.968 -0.318 -6.235 1.00 5.21 H new ATOM 0 HZ PHE A 48 2.883 1.540 -5.020 1.00 72.43 H new ATOM 625 N LYS A 49 11.361 1.438 -5.980 1.00 3.11 N ATOM 626 CA LYS A 49 12.720 1.670 -5.478 1.00 1.33 C ATOM 627 C LYS A 49 13.352 2.965 -6.035 1.00 52.54 C ATOM 628 O LYS A 49 13.987 3.721 -5.296 1.00 25.20 O ATOM 629 CB LYS A 49 13.615 0.490 -5.851 1.00 44.22 C ATOM 630 CG LYS A 49 15.047 0.661 -5.382 1.00 31.42 C ATOM 631 CD LYS A 49 15.972 -0.359 -6.004 1.00 22.24 C ATOM 632 CE LYS A 49 15.707 -1.774 -5.541 1.00 10.11 C ATOM 633 NZ LYS A 49 16.687 -2.725 -6.106 1.00 71.24 N ATOM 0 H LYS A 49 11.232 0.532 -6.432 1.00 3.11 H new ATOM 0 HA LYS A 49 12.641 1.776 -4.396 1.00 1.33 H new ATOM 0 HB2 LYS A 49 13.203 -0.422 -5.419 1.00 44.22 H new ATOM 0 HB3 LYS A 49 13.606 0.362 -6.933 1.00 44.22 H new ATOM 0 HG2 LYS A 49 15.393 1.664 -5.632 1.00 31.42 H new ATOM 0 HG3 LYS A 49 15.086 0.571 -4.296 1.00 31.42 H new ATOM 0 HD2 LYS A 49 15.872 -0.315 -7.089 1.00 22.24 H new ATOM 0 HD3 LYS A 49 17.003 -0.095 -5.768 1.00 22.24 H new ATOM 0 HE2 LYS A 49 15.746 -1.814 -4.452 1.00 10.11 H new ATOM 0 HE3 LYS A 49 14.700 -2.071 -5.835 1.00 10.11 H new ATOM 0 HZ1 LYS A 49 16.474 -3.685 -5.767 1.00 71.24 H new ATOM 0 HZ2 LYS A 49 16.632 -2.704 -7.144 1.00 71.24 H new ATOM 0 HZ3 LYS A 49 17.645 -2.456 -5.805 1.00 71.24 H new ATOM 647 N LYS A 50 13.195 3.202 -7.323 1.00 23.51 N ATOM 648 CA LYS A 50 13.771 4.375 -7.954 1.00 55.13 C ATOM 649 C LYS A 50 13.095 5.664 -7.494 1.00 72.54 C ATOM 650 O LYS A 50 13.751 6.692 -7.298 1.00 60.45 O ATOM 651 CB LYS A 50 13.751 4.271 -9.491 1.00 23.32 C ATOM 652 CG LYS A 50 14.685 3.216 -10.115 1.00 71.54 C ATOM 653 CD LYS A 50 14.282 1.787 -9.788 1.00 4.34 C ATOM 654 CE LYS A 50 15.254 0.778 -10.383 1.00 32.41 C ATOM 655 NZ LYS A 50 15.352 0.892 -11.854 1.00 11.23 N ATOM 0 H LYS A 50 12.672 2.596 -7.955 1.00 23.51 H new ATOM 0 HA LYS A 50 14.812 4.413 -7.635 1.00 55.13 H new ATOM 0 HB2 LYS A 50 12.730 4.054 -9.806 1.00 23.32 H new ATOM 0 HB3 LYS A 50 14.012 5.246 -9.904 1.00 23.32 H new ATOM 0 HG2 LYS A 50 14.695 3.345 -11.197 1.00 71.54 H new ATOM 0 HG3 LYS A 50 15.702 3.389 -9.764 1.00 71.54 H new ATOM 0 HD2 LYS A 50 14.241 1.659 -8.706 1.00 4.34 H new ATOM 0 HD3 LYS A 50 13.279 1.595 -10.170 1.00 4.34 H new ATOM 0 HE2 LYS A 50 16.240 0.924 -9.943 1.00 32.41 H new ATOM 0 HE3 LYS A 50 14.934 -0.230 -10.120 1.00 32.41 H new ATOM 0 HZ1 LYS A 50 15.874 0.075 -12.232 1.00 11.23 H new ATOM 0 HZ2 LYS A 50 14.397 0.913 -12.265 1.00 11.23 H new ATOM 0 HZ3 LYS A 50 15.855 1.768 -12.102 1.00 11.23 H new ATOM 669 N LYS A 51 11.800 5.601 -7.300 1.00 73.31 N ATOM 670 CA LYS A 51 11.026 6.775 -6.934 1.00 54.44 C ATOM 671 C LYS A 51 11.074 7.012 -5.433 1.00 14.45 C ATOM 672 O LYS A 51 11.093 8.153 -4.967 1.00 63.01 O ATOM 673 CB LYS A 51 9.586 6.604 -7.390 1.00 63.42 C ATOM 674 CG LYS A 51 9.433 6.415 -8.883 1.00 63.53 C ATOM 675 CD LYS A 51 7.990 6.169 -9.251 1.00 51.03 C ATOM 676 CE LYS A 51 7.815 5.975 -10.746 1.00 11.53 C ATOM 677 NZ LYS A 51 8.624 4.850 -11.264 1.00 30.43 N ATOM 0 H LYS A 51 11.252 4.746 -7.389 1.00 73.31 H new ATOM 0 HA LYS A 51 11.461 7.643 -7.429 1.00 54.44 H new ATOM 0 HB2 LYS A 51 9.153 5.744 -6.879 1.00 63.42 H new ATOM 0 HB3 LYS A 51 9.012 7.479 -7.084 1.00 63.42 H new ATOM 0 HG2 LYS A 51 9.800 7.299 -9.405 1.00 63.53 H new ATOM 0 HG3 LYS A 51 10.044 5.575 -9.212 1.00 63.53 H new ATOM 0 HD2 LYS A 51 7.626 5.286 -8.725 1.00 51.03 H new ATOM 0 HD3 LYS A 51 7.382 7.011 -8.920 1.00 51.03 H new ATOM 0 HE2 LYS A 51 6.763 5.795 -10.966 1.00 11.53 H new ATOM 0 HE3 LYS A 51 8.097 6.891 -11.265 1.00 11.53 H new ATOM 0 HZ1 LYS A 51 8.072 4.322 -11.970 1.00 30.43 H new ATOM 0 HZ2 LYS A 51 9.489 5.220 -11.707 1.00 30.43 H new ATOM 0 HZ3 LYS A 51 8.880 4.216 -10.480 1.00 30.43 H new ATOM 691 N PHE A 52 11.122 5.943 -4.694 1.00 10.44 N ATOM 692 CA PHE A 52 11.120 5.972 -3.274 1.00 72.44 C ATOM 693 C PHE A 52 12.154 4.990 -2.791 1.00 73.24 C ATOM 694 O PHE A 52 11.892 3.782 -2.691 1.00 32.13 O ATOM 695 CB PHE A 52 9.730 5.584 -2.714 1.00 0.11 C ATOM 696 CG PHE A 52 8.599 6.407 -3.269 1.00 75.01 C ATOM 697 CD1 PHE A 52 8.320 7.658 -2.758 1.00 54.42 C ATOM 698 CD2 PHE A 52 7.831 5.929 -4.318 1.00 14.35 C ATOM 699 CE1 PHE A 52 7.295 8.421 -3.278 1.00 21.13 C ATOM 700 CE2 PHE A 52 6.808 6.686 -4.844 1.00 32.42 C ATOM 701 CZ PHE A 52 6.539 7.935 -4.323 1.00 74.11 C ATOM 0 H PHE A 52 11.165 5.001 -5.082 1.00 10.44 H new ATOM 0 HA PHE A 52 11.349 6.980 -2.928 1.00 72.44 H new ATOM 0 HB2 PHE A 52 9.542 4.532 -2.931 1.00 0.11 H new ATOM 0 HB3 PHE A 52 9.744 5.688 -1.629 1.00 0.11 H new ATOM 0 HD1 PHE A 52 8.911 8.045 -1.941 1.00 54.42 H new ATOM 0 HD2 PHE A 52 8.037 4.951 -4.728 1.00 14.35 H new ATOM 0 HE1 PHE A 52 7.085 9.397 -2.867 1.00 21.13 H new ATOM 0 HE2 PHE A 52 6.217 6.303 -5.663 1.00 32.42 H new ATOM 0 HZ PHE A 52 5.737 8.531 -4.733 1.00 74.11 H new ATOM 711 N GLY A 53 13.341 5.497 -2.586 1.00 34.33 N ATOM 712 CA GLY A 53 14.446 4.700 -2.090 1.00 72.23 C ATOM 713 C GLY A 53 14.205 4.253 -0.677 1.00 13.02 C ATOM 714 O GLY A 53 14.701 4.854 0.276 1.00 44.13 O ATOM 0 H GLY A 53 13.575 6.475 -2.757 1.00 34.33 H new ATOM 0 HA2 GLY A 53 14.585 3.829 -2.730 1.00 72.23 H new ATOM 0 HA3 GLY A 53 15.367 5.281 -2.138 1.00 72.23 H new ATOM 718 N GLY A 54 13.432 3.214 -0.548 1.00 63.44 N ATOM 719 CA GLY A 54 13.051 2.726 0.728 1.00 72.03 C ATOM 720 C GLY A 54 14.057 1.828 1.371 1.00 21.12 C ATOM 721 O GLY A 54 14.127 1.795 2.564 1.00 11.43 O ATOM 0 H GLY A 54 13.051 2.686 -1.333 1.00 63.44 H new ATOM 0 HA2 GLY A 54 12.865 3.574 1.387 1.00 72.03 H new ATOM 0 HA3 GLY A 54 12.109 2.186 0.631 1.00 72.03 H new ATOM 725 N VAL A 55 14.867 1.136 0.577 1.00 13.35 N ATOM 726 CA VAL A 55 15.772 0.091 1.106 1.00 70.25 C ATOM 727 C VAL A 55 16.631 0.561 2.312 1.00 25.11 C ATOM 728 O VAL A 55 16.656 -0.109 3.352 1.00 32.42 O ATOM 729 CB VAL A 55 16.640 -0.573 -0.011 1.00 72.13 C ATOM 730 CG1 VAL A 55 17.542 0.417 -0.716 1.00 21.51 C ATOM 731 CG2 VAL A 55 17.422 -1.769 0.519 1.00 61.41 C ATOM 0 H VAL A 55 14.924 1.270 -0.433 1.00 13.35 H new ATOM 0 HA VAL A 55 15.113 -0.683 1.498 1.00 70.25 H new ATOM 0 HB VAL A 55 15.943 -0.944 -0.762 1.00 72.13 H new ATOM 0 HG11 VAL A 55 18.121 -0.100 -1.481 1.00 21.51 H new ATOM 0 HG12 VAL A 55 16.936 1.194 -1.182 1.00 21.51 H new ATOM 0 HG13 VAL A 55 18.220 0.871 0.007 1.00 21.51 H new ATOM 0 HG21 VAL A 55 18.013 -2.203 -0.287 1.00 61.41 H new ATOM 0 HG22 VAL A 55 18.085 -1.444 1.321 1.00 61.41 H new ATOM 0 HG23 VAL A 55 16.728 -2.516 0.903 1.00 61.41 H new ATOM 737 N GLN A 56 17.275 1.715 2.203 1.00 24.33 N ATOM 738 CA GLN A 56 18.044 2.235 3.322 1.00 71.35 C ATOM 739 C GLN A 56 17.119 2.687 4.446 1.00 14.12 C ATOM 740 O GLN A 56 17.367 2.407 5.617 1.00 53.03 O ATOM 741 CB GLN A 56 18.948 3.383 2.890 1.00 43.45 C ATOM 742 CG GLN A 56 19.724 4.025 4.036 1.00 71.22 C ATOM 743 CD GLN A 56 20.648 3.047 4.759 1.00 75.12 C ATOM 744 OE1 GLN A 56 21.803 2.877 4.390 1.00 21.33 O ATOM 745 NE2 GLN A 56 20.149 2.410 5.792 1.00 2.32 N ATOM 0 H GLN A 56 17.281 2.299 1.367 1.00 24.33 H new ATOM 0 HA GLN A 56 18.677 1.427 3.690 1.00 71.35 H new ATOM 0 HB2 GLN A 56 19.655 3.015 2.147 1.00 43.45 H new ATOM 0 HB3 GLN A 56 18.341 4.146 2.403 1.00 43.45 H new ATOM 0 HG2 GLN A 56 20.316 4.853 3.646 1.00 71.22 H new ATOM 0 HG3 GLN A 56 19.019 4.446 4.753 1.00 71.22 H new ATOM 0 HE21 GLN A 56 19.183 2.574 6.074 1.00 2.32 H new ATOM 0 HE22 GLN A 56 20.728 1.751 6.313 1.00 2.32 H new ATOM 753 N GLU A 57 16.058 3.358 4.081 1.00 33.10 N ATOM 754 CA GLU A 57 15.081 3.870 5.029 1.00 72.03 C ATOM 755 C GLU A 57 14.476 2.734 5.864 1.00 14.35 C ATOM 756 O GLU A 57 14.243 2.887 7.052 1.00 33.41 O ATOM 757 CB GLU A 57 13.977 4.592 4.278 1.00 52.14 C ATOM 758 CG GLU A 57 14.434 5.797 3.477 1.00 32.35 C ATOM 759 CD GLU A 57 14.918 6.926 4.345 1.00 34.03 C ATOM 760 OE1 GLU A 57 16.109 6.944 4.713 1.00 43.53 O ATOM 761 OE2 GLU A 57 14.101 7.825 4.660 1.00 41.15 O ATOM 0 H GLU A 57 15.838 3.571 3.108 1.00 33.10 H new ATOM 0 HA GLU A 57 15.585 4.561 5.704 1.00 72.03 H new ATOM 0 HB2 GLU A 57 13.495 3.886 3.602 1.00 52.14 H new ATOM 0 HB3 GLU A 57 13.221 4.915 4.994 1.00 52.14 H new ATOM 0 HG2 GLU A 57 15.234 5.496 2.801 1.00 32.35 H new ATOM 0 HG3 GLU A 57 13.609 6.149 2.857 1.00 32.35 H new ATOM 768 N LEU A 58 14.250 1.604 5.230 1.00 44.23 N ATOM 769 CA LEU A 58 13.670 0.437 5.881 1.00 10.30 C ATOM 770 C LEU A 58 14.644 -0.128 6.889 1.00 64.23 C ATOM 771 O LEU A 58 14.294 -0.362 8.044 1.00 51.53 O ATOM 772 CB LEU A 58 13.335 -0.628 4.843 1.00 23.34 C ATOM 773 CG LEU A 58 12.391 -0.202 3.726 1.00 41.43 C ATOM 774 CD1 LEU A 58 12.230 -1.302 2.725 1.00 44.01 C ATOM 775 CD2 LEU A 58 11.044 0.216 4.268 1.00 45.31 C ATOM 0 H LEU A 58 14.463 1.463 4.243 1.00 44.23 H new ATOM 0 HA LEU A 58 12.756 0.738 6.393 1.00 10.30 H new ATOM 0 HB2 LEU A 58 14.266 -0.973 4.393 1.00 23.34 H new ATOM 0 HB3 LEU A 58 12.894 -1.482 5.358 1.00 23.34 H new ATOM 0 HG LEU A 58 12.835 0.662 3.231 1.00 41.43 H new ATOM 0 HD11 LEU A 58 11.552 -0.979 1.935 1.00 44.01 H new ATOM 0 HD12 LEU A 58 13.201 -1.546 2.293 1.00 44.01 H new ATOM 0 HD13 LEU A 58 11.820 -2.184 3.217 1.00 44.01 H new ATOM 0 HD21 LEU A 58 10.396 0.513 3.443 1.00 45.31 H new ATOM 0 HD22 LEU A 58 10.591 -0.620 4.802 1.00 45.31 H new ATOM 0 HD23 LEU A 58 11.171 1.056 4.951 1.00 45.31 H new ATOM 783 N LEU A 59 15.881 -0.311 6.452 1.00 74.21 N ATOM 784 CA LEU A 59 16.932 -0.844 7.301 1.00 3.12 C ATOM 785 C LEU A 59 17.240 0.108 8.446 1.00 15.35 C ATOM 786 O LEU A 59 17.553 -0.319 9.544 1.00 22.11 O ATOM 787 CB LEU A 59 18.202 -1.111 6.490 1.00 35.03 C ATOM 788 CG LEU A 59 18.089 -2.134 5.357 1.00 34.40 C ATOM 789 CD1 LEU A 59 19.418 -2.263 4.634 1.00 31.53 C ATOM 790 CD2 LEU A 59 17.636 -3.488 5.890 1.00 5.33 C ATOM 0 H LEU A 59 16.182 -0.095 5.502 1.00 74.21 H new ATOM 0 HA LEU A 59 16.576 -1.787 7.717 1.00 3.12 H new ATOM 0 HB2 LEU A 59 18.539 -0.166 6.064 1.00 35.03 H new ATOM 0 HB3 LEU A 59 18.980 -1.447 7.176 1.00 35.03 H new ATOM 0 HG LEU A 59 17.338 -1.782 4.650 1.00 34.40 H new ATOM 0 HD11 LEU A 59 19.326 -2.993 3.830 1.00 31.53 H new ATOM 0 HD12 LEU A 59 19.700 -1.297 4.216 1.00 31.53 H new ATOM 0 HD13 LEU A 59 20.184 -2.592 5.336 1.00 31.53 H new ATOM 0 HD21 LEU A 59 17.563 -4.198 5.066 1.00 5.33 H new ATOM 0 HD22 LEU A 59 18.359 -3.852 6.620 1.00 5.33 H new ATOM 0 HD23 LEU A 59 16.661 -3.384 6.366 1.00 5.33 H new ATOM 798 N ASN A 60 17.129 1.384 8.175 1.00 34.54 N ATOM 799 CA ASN A 60 17.422 2.419 9.153 1.00 21.13 C ATOM 800 C ASN A 60 16.269 2.589 10.158 1.00 22.11 C ATOM 801 O ASN A 60 16.502 2.793 11.351 1.00 52.40 O ATOM 802 CB ASN A 60 17.757 3.728 8.415 1.00 40.23 C ATOM 803 CG ASN A 60 18.059 4.919 9.303 1.00 62.14 C ATOM 804 OD1 ASN A 60 18.516 4.791 10.441 1.00 64.21 O ATOM 805 ND2 ASN A 60 17.869 6.082 8.761 1.00 70.33 N ATOM 0 H ASN A 60 16.832 1.743 7.268 1.00 34.54 H new ATOM 0 HA ASN A 60 18.290 2.125 9.744 1.00 21.13 H new ATOM 0 HB2 ASN A 60 18.617 3.551 7.770 1.00 40.23 H new ATOM 0 HB3 ASN A 60 16.919 3.984 7.766 1.00 40.23 H new ATOM 0 HD21 ASN A 60 18.100 6.930 9.279 1.00 70.33 H new ATOM 0 HD22 ASN A 60 17.489 6.149 7.817 1.00 70.33 H new ATOM 811 N GLN A 61 15.025 2.474 9.687 1.00 51.42 N ATOM 812 CA GLN A 61 13.867 2.547 10.590 1.00 31.21 C ATOM 813 C GLN A 61 13.654 1.227 11.312 1.00 13.33 C ATOM 814 O GLN A 61 12.882 1.148 12.260 1.00 24.21 O ATOM 815 CB GLN A 61 12.586 2.974 9.873 1.00 44.03 C ATOM 816 CG GLN A 61 12.622 4.382 9.303 1.00 70.25 C ATOM 817 CD GLN A 61 11.302 4.780 8.687 1.00 44.42 C ATOM 818 OE1 GLN A 61 10.430 5.329 9.359 1.00 25.45 O ATOM 819 NE2 GLN A 61 11.125 4.493 7.424 1.00 74.32 N ATOM 0 H GLN A 61 14.792 2.332 8.704 1.00 51.42 H new ATOM 0 HA GLN A 61 14.097 3.319 11.324 1.00 31.21 H new ATOM 0 HB2 GLN A 61 12.387 2.273 9.063 1.00 44.03 H new ATOM 0 HB3 GLN A 61 11.752 2.899 10.571 1.00 44.03 H new ATOM 0 HG2 GLN A 61 12.879 5.086 10.094 1.00 70.25 H new ATOM 0 HG3 GLN A 61 13.407 4.448 8.550 1.00 70.25 H new ATOM 0 HE21 GLN A 61 11.869 4.037 6.895 1.00 74.32 H new ATOM 0 HE22 GLN A 61 10.243 4.725 6.967 1.00 74.32 H new ATOM 827 N GLN A 62 14.329 0.204 10.817 1.00 1.53 N ATOM 828 CA GLN A 62 14.351 -1.141 11.386 1.00 20.30 C ATOM 829 C GLN A 62 12.975 -1.741 11.583 1.00 13.24 C ATOM 830 O GLN A 62 12.426 -1.728 12.687 1.00 73.25 O ATOM 831 CB GLN A 62 15.171 -1.210 12.670 1.00 74.42 C ATOM 832 CG GLN A 62 16.600 -0.757 12.489 1.00 70.31 C ATOM 833 CD GLN A 62 17.415 -0.861 13.750 1.00 62.31 C ATOM 834 OE1 GLN A 62 17.178 -1.730 14.590 1.00 52.31 O ATOM 835 NE2 GLN A 62 18.368 0.014 13.899 1.00 14.45 N ATOM 0 H GLN A 62 14.900 0.286 9.976 1.00 1.53 H new ATOM 0 HA GLN A 62 14.848 -1.757 10.637 1.00 20.30 H new ATOM 0 HB2 GLN A 62 14.695 -0.592 13.431 1.00 74.42 H new ATOM 0 HB3 GLN A 62 15.166 -2.235 13.042 1.00 74.42 H new ATOM 0 HG2 GLN A 62 17.069 -1.357 11.709 1.00 70.31 H new ATOM 0 HG3 GLN A 62 16.606 0.277 12.143 1.00 70.31 H new ATOM 0 HE21 GLN A 62 18.531 0.718 13.179 1.00 14.45 H new ATOM 0 HE22 GLN A 62 18.951 -0.004 14.736 1.00 14.45 H new ATOM 843 N LYS A 63 12.400 -2.202 10.508 1.00 1.20 N ATOM 844 CA LYS A 63 11.132 -2.852 10.544 1.00 2.51 C ATOM 845 C LYS A 63 11.255 -4.266 10.062 1.00 13.42 C ATOM 846 O LYS A 63 11.863 -4.536 9.020 1.00 65.42 O ATOM 847 CB LYS A 63 10.082 -2.070 9.758 1.00 51.42 C ATOM 848 CG LYS A 63 9.778 -0.707 10.360 1.00 64.32 C ATOM 849 CD LYS A 63 9.376 -0.882 11.807 1.00 12.51 C ATOM 850 CE LYS A 63 8.925 0.412 12.456 1.00 43.23 C ATOM 851 NZ LYS A 63 10.012 1.421 12.508 1.00 13.32 N ATOM 0 H LYS A 63 12.807 -2.134 9.575 1.00 1.20 H new ATOM 0 HA LYS A 63 10.791 -2.882 11.579 1.00 2.51 H new ATOM 0 HB2 LYS A 63 10.428 -1.939 8.733 1.00 51.42 H new ATOM 0 HB3 LYS A 63 9.162 -2.653 9.712 1.00 51.42 H new ATOM 0 HG2 LYS A 63 10.653 -0.061 10.289 1.00 64.32 H new ATOM 0 HG3 LYS A 63 8.977 -0.221 9.804 1.00 64.32 H new ATOM 0 HD2 LYS A 63 8.570 -1.613 11.869 1.00 12.51 H new ATOM 0 HD3 LYS A 63 10.219 -1.288 12.366 1.00 12.51 H new ATOM 0 HE2 LYS A 63 8.080 0.819 11.901 1.00 43.23 H new ATOM 0 HE3 LYS A 63 8.574 0.206 13.467 1.00 43.23 H new ATOM 0 HZ1 LYS A 63 10.000 1.897 13.433 1.00 13.32 H new ATOM 0 HZ2 LYS A 63 10.929 0.950 12.373 1.00 13.32 H new ATOM 0 HZ3 LYS A 63 9.870 2.124 11.755 1.00 13.32 H new ATOM 865 N LYS A 64 10.696 -5.160 10.820 1.00 54.53 N ATOM 866 CA LYS A 64 10.765 -6.558 10.533 1.00 14.22 C ATOM 867 C LYS A 64 9.409 -7.047 10.109 1.00 41.32 C ATOM 868 O LYS A 64 8.432 -6.299 10.174 1.00 64.53 O ATOM 869 CB LYS A 64 11.295 -7.387 11.731 1.00 75.21 C ATOM 870 CG LYS A 64 12.769 -7.163 12.119 1.00 61.34 C ATOM 871 CD LYS A 64 13.047 -5.769 12.673 1.00 41.24 C ATOM 872 CE LYS A 64 14.512 -5.591 13.052 1.00 25.14 C ATOM 873 NZ LYS A 64 14.957 -6.580 14.069 1.00 30.35 N ATOM 0 H LYS A 64 10.173 -4.935 11.666 1.00 54.53 H new ATOM 0 HA LYS A 64 11.480 -6.697 9.722 1.00 14.22 H new ATOM 0 HB2 LYS A 64 10.675 -7.166 12.600 1.00 75.21 H new ATOM 0 HB3 LYS A 64 11.159 -8.444 11.502 1.00 75.21 H new ATOM 0 HG2 LYS A 64 13.057 -7.905 12.863 1.00 61.34 H new ATOM 0 HG3 LYS A 64 13.396 -7.329 11.243 1.00 61.34 H new ATOM 0 HD2 LYS A 64 12.771 -5.021 11.930 1.00 41.24 H new ATOM 0 HD3 LYS A 64 12.422 -5.595 13.549 1.00 41.24 H new ATOM 0 HE2 LYS A 64 15.130 -5.688 12.159 1.00 25.14 H new ATOM 0 HE3 LYS A 64 14.665 -4.583 13.438 1.00 25.14 H new ATOM 0 HZ1 LYS A 64 15.878 -6.290 14.456 1.00 30.35 H new ATOM 0 HZ2 LYS A 64 14.258 -6.626 14.838 1.00 30.35 H new ATOM 0 HZ3 LYS A 64 15.047 -7.517 13.626 1.00 30.35 H new ATOM 887 N SER A 65 9.356 -8.266 9.634 1.00 30.12 N ATOM 888 CA SER A 65 8.130 -8.851 9.147 1.00 61.32 C ATOM 889 C SER A 65 6.990 -8.819 10.177 1.00 23.11 C ATOM 890 O SER A 65 7.161 -9.197 11.345 1.00 4.50 O ATOM 891 CB SER A 65 8.394 -10.241 8.579 1.00 13.53 C ATOM 892 OG SER A 65 9.119 -11.061 9.481 1.00 61.32 O ATOM 0 H SER A 65 10.165 -8.884 9.574 1.00 30.12 H new ATOM 0 HA SER A 65 7.769 -8.226 8.330 1.00 61.32 H new ATOM 0 HB2 SER A 65 7.445 -10.720 8.339 1.00 13.53 H new ATOM 0 HB3 SER A 65 8.950 -10.150 7.646 1.00 13.53 H new ATOM 0 HG SER A 65 10.063 -10.798 9.476 1.00 61.32 H new ATOM 898 N GLY A 66 5.835 -8.352 9.729 1.00 31.11 N ATOM 899 CA GLY A 66 4.707 -8.188 10.606 1.00 43.23 C ATOM 900 C GLY A 66 4.609 -6.760 11.109 1.00 31.31 C ATOM 901 O GLY A 66 3.914 -6.478 12.096 1.00 55.10 O ATOM 0 H GLY A 66 5.663 -8.082 8.761 1.00 31.11 H new ATOM 0 HA2 GLY A 66 3.791 -8.455 10.079 1.00 43.23 H new ATOM 0 HA3 GLY A 66 4.798 -8.869 11.452 1.00 43.23 H new ATOM 905 N GLU A 67 5.326 -5.868 10.448 1.00 60.03 N ATOM 906 CA GLU A 67 5.322 -4.447 10.759 1.00 64.42 C ATOM 907 C GLU A 67 5.215 -3.660 9.467 1.00 32.40 C ATOM 908 O GLU A 67 5.318 -4.232 8.372 1.00 40.42 O ATOM 909 CB GLU A 67 6.612 -4.031 11.486 1.00 61.43 C ATOM 910 CG GLU A 67 6.849 -4.734 12.801 1.00 4.24 C ATOM 911 CD GLU A 67 8.126 -4.301 13.468 1.00 45.45 C ATOM 912 OE1 GLU A 67 8.093 -3.337 14.270 1.00 33.32 O ATOM 913 OE2 GLU A 67 9.184 -4.934 13.233 1.00 44.23 O ATOM 0 H GLU A 67 5.937 -6.113 9.669 1.00 60.03 H new ATOM 0 HA GLU A 67 4.474 -4.241 11.412 1.00 64.42 H new ATOM 0 HB2 GLU A 67 7.461 -4.222 10.829 1.00 61.43 H new ATOM 0 HB3 GLU A 67 6.582 -2.956 11.664 1.00 61.43 H new ATOM 0 HG2 GLU A 67 6.010 -4.539 13.469 1.00 4.24 H new ATOM 0 HG3 GLU A 67 6.878 -5.811 12.633 1.00 4.24 H new ATOM 920 N VAL A 68 5.017 -2.371 9.580 1.00 70.45 N ATOM 921 CA VAL A 68 4.940 -1.525 8.422 1.00 22.11 C ATOM 922 C VAL A 68 5.955 -0.399 8.548 1.00 42.12 C ATOM 923 O VAL A 68 6.173 0.153 9.638 1.00 14.21 O ATOM 924 CB VAL A 68 3.499 -0.942 8.203 1.00 63.11 C ATOM 925 CG1 VAL A 68 3.070 -0.047 9.354 1.00 54.04 C ATOM 926 CG2 VAL A 68 3.395 -0.189 6.882 1.00 60.40 C ATOM 0 H VAL A 68 4.906 -1.884 10.470 1.00 70.45 H new ATOM 0 HA VAL A 68 5.170 -2.134 7.548 1.00 22.11 H new ATOM 0 HB VAL A 68 2.820 -1.794 8.167 1.00 63.11 H new ATOM 0 HG11 VAL A 68 2.067 0.336 9.163 1.00 54.04 H new ATOM 0 HG12 VAL A 68 3.069 -0.621 10.280 1.00 54.04 H new ATOM 0 HG13 VAL A 68 3.766 0.787 9.445 1.00 54.04 H new ATOM 0 HG21 VAL A 68 2.384 0.201 6.764 1.00 60.40 H new ATOM 0 HG22 VAL A 68 4.105 0.638 6.878 1.00 60.40 H new ATOM 0 HG23 VAL A 68 3.621 -0.866 6.058 1.00 60.40 H new ATOM 932 N ALA A 69 6.602 -0.097 7.472 1.00 63.32 N ATOM 933 CA ALA A 69 7.519 0.995 7.431 1.00 61.51 C ATOM 934 C ALA A 69 6.916 2.074 6.575 1.00 14.51 C ATOM 935 O ALA A 69 6.249 1.776 5.586 1.00 42.21 O ATOM 936 CB ALA A 69 8.852 0.550 6.881 1.00 72.01 C ATOM 0 H ALA A 69 6.510 -0.603 6.591 1.00 63.32 H new ATOM 0 HA ALA A 69 7.697 1.376 8.437 1.00 61.51 H new ATOM 0 HB1 ALA A 69 9.537 1.397 6.858 1.00 72.01 H new ATOM 0 HB2 ALA A 69 9.265 -0.233 7.517 1.00 72.01 H new ATOM 0 HB3 ALA A 69 8.718 0.164 5.870 1.00 72.01 H new ATOM 942 N VAL A 70 7.110 3.305 6.947 1.00 31.30 N ATOM 943 CA VAL A 70 6.521 4.393 6.210 1.00 60.52 C ATOM 944 C VAL A 70 7.611 5.356 5.817 1.00 5.03 C ATOM 945 O VAL A 70 8.584 5.542 6.565 1.00 3.33 O ATOM 946 CB VAL A 70 5.443 5.158 7.046 1.00 71.44 C ATOM 947 CG1 VAL A 70 4.705 6.187 6.208 1.00 22.22 C ATOM 948 CG2 VAL A 70 4.473 4.211 7.739 1.00 62.43 C ATOM 0 H VAL A 70 7.669 3.584 7.753 1.00 31.30 H new ATOM 0 HA VAL A 70 6.026 3.977 5.333 1.00 60.52 H new ATOM 0 HB VAL A 70 5.980 5.695 7.828 1.00 71.44 H new ATOM 0 HG11 VAL A 70 3.965 6.696 6.826 1.00 22.22 H new ATOM 0 HG12 VAL A 70 5.416 6.916 5.818 1.00 22.22 H new ATOM 0 HG13 VAL A 70 4.204 5.689 5.378 1.00 22.22 H new ATOM 0 HG21 VAL A 70 3.744 4.789 8.307 1.00 62.43 H new ATOM 0 HG22 VAL A 70 3.956 3.608 6.992 1.00 62.43 H new ATOM 0 HG23 VAL A 70 5.024 3.557 8.415 1.00 62.43 H new ATOM 954 N LEU A 71 7.469 5.953 4.668 1.00 23.50 N ATOM 955 CA LEU A 71 8.423 6.920 4.199 1.00 54.04 C ATOM 956 C LEU A 71 7.683 8.197 3.914 1.00 44.25 C ATOM 957 O LEU A 71 6.593 8.162 3.332 1.00 62.20 O ATOM 958 CB LEU A 71 9.067 6.469 2.877 1.00 43.32 C ATOM 959 CG LEU A 71 9.656 5.062 2.799 1.00 60.34 C ATOM 960 CD1 LEU A 71 10.316 4.858 1.451 1.00 10.52 C ATOM 961 CD2 LEU A 71 10.640 4.801 3.917 1.00 41.42 C ATOM 0 H LEU A 71 6.691 5.784 4.030 1.00 23.50 H new ATOM 0 HA LEU A 71 9.197 7.042 4.957 1.00 54.04 H new ATOM 0 HB2 LEU A 71 8.314 6.558 2.094 1.00 43.32 H new ATOM 0 HB3 LEU A 71 9.862 7.175 2.637 1.00 43.32 H new ATOM 0 HG LEU A 71 8.841 4.348 2.915 1.00 60.34 H new ATOM 0 HD11 LEU A 71 10.735 3.853 1.399 1.00 10.52 H new ATOM 0 HD12 LEU A 71 9.576 4.984 0.661 1.00 10.52 H new ATOM 0 HD13 LEU A 71 11.113 5.590 1.321 1.00 10.52 H new ATOM 0 HD21 LEU A 71 11.036 3.789 3.825 1.00 41.42 H new ATOM 0 HD22 LEU A 71 11.459 5.518 3.856 1.00 41.42 H new ATOM 0 HD23 LEU A 71 10.136 4.907 4.878 1.00 41.42 H new ATOM 969 N LYS A 72 8.227 9.307 4.336 1.00 43.45 N ATOM 970 CA LYS A 72 7.632 10.567 4.004 1.00 55.10 C ATOM 971 C LYS A 72 8.343 11.128 2.793 1.00 34.11 C ATOM 972 O LYS A 72 9.525 11.480 2.859 1.00 54.13 O ATOM 973 CB LYS A 72 7.738 11.543 5.169 1.00 34.20 C ATOM 974 CG LYS A 72 7.135 12.917 4.892 1.00 14.34 C ATOM 975 CD LYS A 72 7.210 13.810 6.120 1.00 61.14 C ATOM 976 CE LYS A 72 6.659 15.204 5.838 1.00 3.20 C ATOM 977 NZ LYS A 72 7.465 15.934 4.822 1.00 62.23 N ATOM 0 H LYS A 72 9.072 9.362 4.904 1.00 43.45 H new ATOM 0 HA LYS A 72 6.574 10.421 3.787 1.00 55.10 H new ATOM 0 HB2 LYS A 72 7.242 11.110 6.037 1.00 34.20 H new ATOM 0 HB3 LYS A 72 8.789 11.666 5.431 1.00 34.20 H new ATOM 0 HG2 LYS A 72 7.664 13.389 4.064 1.00 14.34 H new ATOM 0 HG3 LYS A 72 6.095 12.805 4.584 1.00 14.34 H new ATOM 0 HD2 LYS A 72 6.648 13.355 6.936 1.00 61.14 H new ATOM 0 HD3 LYS A 72 8.246 13.888 6.451 1.00 61.14 H new ATOM 0 HE2 LYS A 72 5.629 15.122 5.491 1.00 3.20 H new ATOM 0 HE3 LYS A 72 6.639 15.779 6.764 1.00 3.20 H new ATOM 0 HZ1 LYS A 72 7.172 16.932 4.798 1.00 62.23 H new ATOM 0 HZ2 LYS A 72 8.473 15.875 5.071 1.00 62.23 H new ATOM 0 HZ3 LYS A 72 7.314 15.506 3.886 1.00 62.23 H new ATOM 991 N ARG A 73 7.635 11.178 1.712 1.00 41.34 N ATOM 992 CA ARG A 73 8.115 11.707 0.435 1.00 73.52 C ATOM 993 C ARG A 73 7.034 12.539 -0.194 1.00 35.02 C ATOM 994 O ARG A 73 5.882 12.175 -0.117 1.00 45.13 O ATOM 995 CB ARG A 73 8.528 10.598 -0.563 1.00 33.20 C ATOM 996 CG ARG A 73 10.022 10.225 -0.619 1.00 5.01 C ATOM 997 CD ARG A 73 10.579 9.590 0.640 1.00 51.43 C ATOM 998 NE ARG A 73 12.002 9.253 0.449 1.00 0.33 N ATOM 999 CZ ARG A 73 12.869 8.876 1.401 1.00 23.21 C ATOM 1000 NH1 ARG A 73 12.476 8.725 2.662 1.00 53.35 N ATOM 1001 NH2 ARG A 73 14.132 8.650 1.077 1.00 32.12 N ATOM 0 H ARG A 73 6.672 10.846 1.671 1.00 41.34 H new ATOM 0 HA ARG A 73 9.002 12.302 0.652 1.00 73.52 H new ATOM 0 HB2 ARG A 73 7.963 9.698 -0.321 1.00 33.20 H new ATOM 0 HB3 ARG A 73 8.219 10.909 -1.561 1.00 33.20 H new ATOM 0 HG2 ARG A 73 10.177 9.539 -1.452 1.00 5.01 H new ATOM 0 HG3 ARG A 73 10.596 11.125 -0.837 1.00 5.01 H new ATOM 0 HD2 ARG A 73 10.469 10.274 1.481 1.00 51.43 H new ATOM 0 HD3 ARG A 73 10.014 8.691 0.884 1.00 51.43 H new ATOM 0 HE ARG A 73 12.364 9.313 -0.503 1.00 0.33 H new ATOM 0 HH11 ARG A 73 11.503 8.896 2.917 1.00 53.35 H new ATOM 0 HH12 ARG A 73 13.147 8.438 3.374 1.00 53.35 H new ATOM 0 HH21 ARG A 73 14.439 8.763 0.111 1.00 32.12 H new ATOM 0 HH22 ARG A 73 14.799 8.363 1.794 1.00 32.12 H new ATOM 1013 N ASP A 74 7.408 13.665 -0.786 1.00 62.43 N ATOM 1014 CA ASP A 74 6.463 14.582 -1.496 1.00 53.25 C ATOM 1015 C ASP A 74 5.332 15.051 -0.543 1.00 20.34 C ATOM 1016 O ASP A 74 4.249 15.438 -0.959 1.00 34.55 O ATOM 1017 CB ASP A 74 5.884 13.856 -2.764 1.00 73.33 C ATOM 1018 CG ASP A 74 4.994 14.734 -3.642 1.00 14.25 C ATOM 1019 OD1 ASP A 74 5.513 15.694 -4.252 1.00 3.21 O ATOM 1020 OD2 ASP A 74 3.762 14.494 -3.726 1.00 43.43 O ATOM 0 H ASP A 74 8.375 13.989 -0.800 1.00 62.43 H new ATOM 0 HA ASP A 74 7.000 15.473 -1.821 1.00 53.25 H new ATOM 0 HB2 ASP A 74 6.714 13.484 -3.365 1.00 73.33 H new ATOM 0 HB3 ASP A 74 5.311 12.987 -2.440 1.00 73.33 H new ATOM 1025 N GLY A 75 5.653 15.098 0.740 1.00 22.34 N ATOM 1026 CA GLY A 75 4.699 15.512 1.758 1.00 14.12 C ATOM 1027 C GLY A 75 3.635 14.466 2.024 1.00 75.32 C ATOM 1028 O GLY A 75 2.670 14.714 2.765 1.00 64.35 O ATOM 0 H GLY A 75 6.574 14.853 1.104 1.00 22.34 H new ATOM 0 HA2 GLY A 75 5.232 15.725 2.684 1.00 14.12 H new ATOM 0 HA3 GLY A 75 4.220 16.440 1.445 1.00 14.12 H new ATOM 1032 N ARG A 76 3.812 13.303 1.448 1.00 41.21 N ATOM 1033 CA ARG A 76 2.862 12.241 1.571 1.00 20.24 C ATOM 1034 C ARG A 76 3.530 10.993 2.120 1.00 74.41 C ATOM 1035 O ARG A 76 4.762 10.959 2.295 1.00 11.03 O ATOM 1036 CB ARG A 76 2.161 11.970 0.238 1.00 22.32 C ATOM 1037 CG ARG A 76 3.069 11.519 -0.877 1.00 0.15 C ATOM 1038 CD ARG A 76 2.292 11.314 -2.140 1.00 4.02 C ATOM 1039 NE ARG A 76 3.107 10.747 -3.216 1.00 45.35 N ATOM 1040 CZ ARG A 76 2.729 9.699 -3.954 1.00 71.05 C ATOM 1041 NH1 ARG A 76 1.596 9.071 -3.671 1.00 35.00 N ATOM 1042 NH2 ARG A 76 3.484 9.279 -4.957 1.00 22.42 N ATOM 0 H ARG A 76 4.626 13.071 0.879 1.00 41.21 H new ATOM 0 HA ARG A 76 2.093 12.546 2.280 1.00 20.24 H new ATOM 0 HB2 ARG A 76 1.396 11.209 0.394 1.00 22.32 H new ATOM 0 HB3 ARG A 76 1.647 12.878 -0.077 1.00 22.32 H new ATOM 0 HG2 ARG A 76 3.849 12.262 -1.041 1.00 0.15 H new ATOM 0 HG3 ARG A 76 3.566 10.591 -0.595 1.00 0.15 H new ATOM 0 HD2 ARG A 76 1.449 10.652 -1.940 1.00 4.02 H new ATOM 0 HD3 ARG A 76 1.878 12.268 -2.467 1.00 4.02 H new ATOM 0 HE ARG A 76 4.012 11.175 -3.413 1.00 45.35 H new ATOM 0 HH11 ARG A 76 1.018 9.388 -2.893 1.00 35.00 H new ATOM 0 HH12 ARG A 76 1.303 8.271 -4.231 1.00 35.00 H new ATOM 0 HH21 ARG A 76 4.360 9.756 -5.170 1.00 22.42 H new ATOM 0 HH22 ARG A 76 3.190 8.478 -5.516 1.00 22.42 H new ATOM 1054 N TYR A 77 2.740 9.993 2.411 1.00 4.42 N ATOM 1055 CA TYR A 77 3.237 8.794 3.021 1.00 54.10 C ATOM 1056 C TYR A 77 3.243 7.598 2.113 1.00 5.21 C ATOM 1057 O TYR A 77 2.369 7.439 1.255 1.00 20.01 O ATOM 1058 CB TYR A 77 2.517 8.522 4.324 1.00 65.42 C ATOM 1059 CG TYR A 77 2.891 9.535 5.358 1.00 40.13 C ATOM 1060 CD1 TYR A 77 4.182 9.568 5.833 1.00 33.41 C ATOM 1061 CD2 TYR A 77 1.989 10.475 5.828 1.00 74.10 C ATOM 1062 CE1 TYR A 77 4.582 10.484 6.746 1.00 24.11 C ATOM 1063 CE2 TYR A 77 2.381 11.421 6.755 1.00 1.32 C ATOM 1064 CZ TYR A 77 3.685 11.420 7.211 1.00 20.40 C ATOM 1065 OH TYR A 77 4.092 12.349 8.131 1.00 63.32 O ATOM 0 H TYR A 77 1.736 9.989 2.231 1.00 4.42 H new ATOM 0 HA TYR A 77 4.290 8.974 3.238 1.00 54.10 H new ATOM 0 HB2 TYR A 77 1.440 8.543 4.161 1.00 65.42 H new ATOM 0 HB3 TYR A 77 2.766 7.523 4.681 1.00 65.42 H new ATOM 0 HD1 TYR A 77 4.895 8.844 5.468 1.00 33.41 H new ATOM 0 HD2 TYR A 77 0.971 10.468 5.467 1.00 74.10 H new ATOM 0 HE1 TYR A 77 5.600 10.481 7.108 1.00 24.11 H new ATOM 0 HE2 TYR A 77 1.676 12.153 7.119 1.00 1.32 H new ATOM 0 HH TYR A 77 3.341 12.937 8.356 1.00 63.32 H new ATOM 1075 N ILE A 78 4.249 6.763 2.302 1.00 4.55 N ATOM 1076 CA ILE A 78 4.441 5.566 1.512 1.00 73.53 C ATOM 1077 C ILE A 78 4.574 4.406 2.482 1.00 75.53 C ATOM 1078 O ILE A 78 5.409 4.457 3.384 1.00 15.44 O ATOM 1079 CB ILE A 78 5.747 5.660 0.663 1.00 30.11 C ATOM 1080 CG1 ILE A 78 5.777 6.955 -0.185 1.00 24.44 C ATOM 1081 CG2 ILE A 78 5.897 4.431 -0.238 1.00 25.13 C ATOM 1082 CD1 ILE A 78 4.641 7.089 -1.182 1.00 1.10 C ATOM 0 H ILE A 78 4.963 6.901 3.018 1.00 4.55 H new ATOM 0 HA ILE A 78 3.600 5.435 0.831 1.00 73.53 H new ATOM 0 HB ILE A 78 6.588 5.691 1.355 1.00 30.11 H new ATOM 0 HG12 ILE A 78 5.755 7.813 0.487 1.00 24.44 H new ATOM 0 HG13 ILE A 78 6.723 6.997 -0.725 1.00 24.44 H new ATOM 0 HG21 ILE A 78 6.814 4.517 -0.821 1.00 25.13 H new ATOM 0 HG22 ILE A 78 5.941 3.532 0.377 1.00 25.13 H new ATOM 0 HG23 ILE A 78 5.043 4.368 -0.912 1.00 25.13 H new ATOM 0 HD11 ILE A 78 4.746 8.026 -1.729 1.00 1.10 H new ATOM 0 HD12 ILE A 78 4.671 6.254 -1.882 1.00 1.10 H new ATOM 0 HD13 ILE A 78 3.689 7.083 -0.652 1.00 1.10 H new ATOM 1089 N TYR A 79 3.762 3.398 2.313 1.00 72.42 N ATOM 1090 CA TYR A 79 3.734 2.267 3.213 1.00 11.33 C ATOM 1091 C TYR A 79 4.411 1.044 2.636 1.00 64.50 C ATOM 1092 O TYR A 79 4.193 0.663 1.467 1.00 62.31 O ATOM 1093 CB TYR A 79 2.298 1.908 3.577 1.00 15.32 C ATOM 1094 CG TYR A 79 1.538 2.998 4.275 1.00 74.31 C ATOM 1095 CD1 TYR A 79 1.565 3.097 5.648 1.00 74.34 C ATOM 1096 CD2 TYR A 79 0.787 3.927 3.561 1.00 74.34 C ATOM 1097 CE1 TYR A 79 0.876 4.080 6.300 1.00 62.21 C ATOM 1098 CE2 TYR A 79 0.090 4.922 4.210 1.00 71.43 C ATOM 1099 CZ TYR A 79 0.139 4.994 5.583 1.00 51.33 C ATOM 1100 OH TYR A 79 -0.552 5.986 6.254 1.00 22.24 O ATOM 0 H TYR A 79 3.095 3.334 1.544 1.00 72.42 H new ATOM 0 HA TYR A 79 4.286 2.571 4.102 1.00 11.33 H new ATOM 0 HB2 TYR A 79 1.764 1.636 2.667 1.00 15.32 H new ATOM 0 HB3 TYR A 79 2.309 1.025 4.216 1.00 15.32 H new ATOM 0 HD1 TYR A 79 2.141 2.385 6.220 1.00 74.34 H new ATOM 0 HD2 TYR A 79 0.750 3.867 2.483 1.00 74.34 H new ATOM 0 HE1 TYR A 79 0.910 4.140 7.378 1.00 62.21 H new ATOM 0 HE2 TYR A 79 -0.489 5.639 3.647 1.00 71.43 H new ATOM 0 HH TYR A 79 -1.513 5.798 6.216 1.00 22.24 H new ATOM 1110 N TYR A 80 5.229 0.442 3.445 1.00 1.33 N ATOM 1111 CA TYR A 80 5.879 -0.797 3.134 1.00 3.20 C ATOM 1112 C TYR A 80 5.485 -1.852 4.125 1.00 3.44 C ATOM 1113 O TYR A 80 5.914 -1.820 5.284 1.00 74.12 O ATOM 1114 CB TYR A 80 7.401 -0.643 3.089 1.00 34.44 C ATOM 1115 CG TYR A 80 7.892 0.082 1.872 1.00 72.04 C ATOM 1116 CD1 TYR A 80 7.994 1.463 1.825 1.00 64.01 C ATOM 1117 CD2 TYR A 80 8.245 -0.632 0.753 1.00 3.11 C ATOM 1118 CE1 TYR A 80 8.440 2.096 0.680 1.00 34.41 C ATOM 1119 CE2 TYR A 80 8.685 -0.017 -0.378 1.00 42.42 C ATOM 1120 CZ TYR A 80 8.782 1.343 -0.419 1.00 3.11 C ATOM 1121 OH TYR A 80 9.206 1.948 -1.574 1.00 42.31 O ATOM 0 H TYR A 80 5.470 0.809 4.366 1.00 1.33 H new ATOM 0 HA TYR A 80 5.553 -1.104 2.140 1.00 3.20 H new ATOM 0 HB2 TYR A 80 7.731 -0.107 3.979 1.00 34.44 H new ATOM 0 HB3 TYR A 80 7.860 -1.631 3.123 1.00 34.44 H new ATOM 0 HD1 TYR A 80 7.723 2.050 2.690 1.00 64.01 H new ATOM 0 HD2 TYR A 80 8.171 -1.709 0.771 1.00 3.11 H new ATOM 0 HE1 TYR A 80 8.519 3.173 0.649 1.00 34.41 H new ATOM 0 HE2 TYR A 80 8.957 -0.605 -1.242 1.00 42.42 H new ATOM 0 HH TYR A 80 9.406 1.264 -2.247 1.00 42.31 H new ATOM 1131 N LEU A 81 4.641 -2.752 3.690 1.00 71.34 N ATOM 1132 CA LEU A 81 4.204 -3.849 4.514 1.00 42.41 C ATOM 1133 C LEU A 81 5.272 -4.920 4.462 1.00 11.11 C ATOM 1134 O LEU A 81 5.565 -5.463 3.382 1.00 4.31 O ATOM 1135 CB LEU A 81 2.864 -4.408 3.999 1.00 2.42 C ATOM 1136 CG LEU A 81 1.698 -3.410 3.910 1.00 13.42 C ATOM 1137 CD1 LEU A 81 0.469 -4.086 3.340 1.00 21.14 C ATOM 1138 CD2 LEU A 81 1.375 -2.825 5.267 1.00 43.51 C ATOM 0 H LEU A 81 4.237 -2.745 2.753 1.00 71.34 H new ATOM 0 HA LEU A 81 4.052 -3.513 5.540 1.00 42.41 H new ATOM 0 HB2 LEU A 81 3.028 -4.831 3.008 1.00 2.42 H new ATOM 0 HB3 LEU A 81 2.563 -5.229 4.650 1.00 2.42 H new ATOM 0 HG LEU A 81 2.003 -2.599 3.248 1.00 13.42 H new ATOM 0 HD11 LEU A 81 -0.348 -3.367 3.283 1.00 21.14 H new ATOM 0 HD12 LEU A 81 0.691 -4.463 2.342 1.00 21.14 H new ATOM 0 HD13 LEU A 81 0.178 -4.916 3.984 1.00 21.14 H new ATOM 0 HD21 LEU A 81 0.547 -2.123 5.173 1.00 43.51 H new ATOM 0 HD22 LEU A 81 1.096 -3.626 5.951 1.00 43.51 H new ATOM 0 HD23 LEU A 81 2.250 -2.304 5.656 1.00 43.51 H new ATOM 1146 N ILE A 82 5.873 -5.201 5.588 1.00 72.45 N ATOM 1147 CA ILE A 82 6.940 -6.159 5.634 1.00 62.11 C ATOM 1148 C ILE A 82 6.345 -7.556 5.838 1.00 25.35 C ATOM 1149 O ILE A 82 5.884 -7.895 6.930 1.00 12.12 O ATOM 1150 CB ILE A 82 7.955 -5.843 6.762 1.00 23.51 C ATOM 1151 CG1 ILE A 82 8.418 -4.364 6.712 1.00 42.44 C ATOM 1152 CG2 ILE A 82 9.157 -6.750 6.616 1.00 11.31 C ATOM 1153 CD1 ILE A 82 9.154 -3.959 5.441 1.00 44.22 C ATOM 0 H ILE A 82 5.639 -4.778 6.486 1.00 72.45 H new ATOM 0 HA ILE A 82 7.483 -6.113 4.690 1.00 62.11 H new ATOM 0 HB ILE A 82 7.464 -6.011 7.721 1.00 23.51 H new ATOM 0 HG12 ILE A 82 7.545 -3.722 6.828 1.00 42.44 H new ATOM 0 HG13 ILE A 82 9.068 -4.174 7.566 1.00 42.44 H new ATOM 0 HG21 ILE A 82 9.875 -6.533 7.407 1.00 11.31 H new ATOM 0 HG22 ILE A 82 8.839 -7.790 6.690 1.00 11.31 H new ATOM 0 HG23 ILE A 82 9.624 -6.582 5.646 1.00 11.31 H new ATOM 0 HD11 ILE A 82 9.436 -2.908 5.503 1.00 44.22 H new ATOM 0 HD12 ILE A 82 10.050 -4.569 5.330 1.00 44.22 H new ATOM 0 HD13 ILE A 82 8.503 -4.110 4.580 1.00 44.22 H new ATOM 1160 N THR A 83 6.353 -8.336 4.783 1.00 13.52 N ATOM 1161 CA THR A 83 5.729 -9.650 4.751 1.00 73.51 C ATOM 1162 C THR A 83 6.459 -10.717 5.565 1.00 53.23 C ATOM 1163 O THR A 83 6.072 -11.025 6.692 1.00 74.22 O ATOM 1164 CB THR A 83 5.565 -10.122 3.307 1.00 25.04 C ATOM 1165 OG1 THR A 83 6.826 -9.991 2.618 1.00 15.12 O ATOM 1166 CG2 THR A 83 4.498 -9.321 2.608 1.00 64.10 C ATOM 0 H THR A 83 6.800 -8.076 3.904 1.00 13.52 H new ATOM 0 HA THR A 83 4.756 -9.523 5.226 1.00 73.51 H new ATOM 0 HB THR A 83 5.259 -11.168 3.303 1.00 25.04 H new ATOM 0 HG1 THR A 83 6.959 -9.057 2.354 1.00 15.12 H new ATOM 0 HG21 THR A 83 4.395 -9.671 1.581 1.00 64.10 H new ATOM 0 HG22 THR A 83 3.549 -9.445 3.130 1.00 64.10 H new ATOM 0 HG23 THR A 83 4.777 -8.267 2.606 1.00 64.10 H new ATOM 1172 N LYS A 84 7.492 -11.285 4.982 1.00 21.31 N ATOM 1173 CA LYS A 84 8.276 -12.311 5.624 1.00 31.21 C ATOM 1174 C LYS A 84 9.755 -12.063 5.486 1.00 52.45 C ATOM 1175 O LYS A 84 10.159 -11.115 4.828 1.00 2.24 O ATOM 1176 CB LYS A 84 7.858 -13.742 5.211 1.00 3.30 C ATOM 1177 CG LYS A 84 6.526 -14.249 5.836 1.00 12.52 C ATOM 1178 CD LYS A 84 6.635 -14.665 7.352 1.00 14.43 C ATOM 1179 CE LYS A 84 7.127 -13.548 8.287 1.00 41.22 C ATOM 1180 NZ LYS A 84 7.130 -13.932 9.712 1.00 61.21 N ATOM 0 H LYS A 84 7.811 -11.045 4.044 1.00 21.31 H new ATOM 0 HA LYS A 84 8.053 -12.246 6.689 1.00 31.21 H new ATOM 0 HB2 LYS A 84 7.768 -13.778 4.125 1.00 3.30 H new ATOM 0 HB3 LYS A 84 8.656 -14.431 5.488 1.00 3.30 H new ATOM 0 HG2 LYS A 84 5.773 -13.467 5.740 1.00 12.52 H new ATOM 0 HG3 LYS A 84 6.172 -15.105 5.262 1.00 12.52 H new ATOM 0 HD2 LYS A 84 5.657 -15.003 7.694 1.00 14.43 H new ATOM 0 HD3 LYS A 84 7.312 -15.515 7.434 1.00 14.43 H new ATOM 0 HE2 LYS A 84 8.136 -13.259 7.995 1.00 41.22 H new ATOM 0 HE3 LYS A 84 6.494 -12.671 8.157 1.00 41.22 H new ATOM 0 HZ1 LYS A 84 7.374 -13.105 10.294 1.00 61.21 H new ATOM 0 HZ2 LYS A 84 6.187 -14.278 9.980 1.00 61.21 H new ATOM 0 HZ3 LYS A 84 7.832 -14.684 9.867 1.00 61.21 H new ATOM 1194 N LYS A 85 10.543 -12.942 6.081 1.00 21.32 N ATOM 1195 CA LYS A 85 11.982 -12.756 6.269 1.00 33.41 C ATOM 1196 C LYS A 85 12.737 -12.495 4.924 1.00 64.44 C ATOM 1197 O LYS A 85 13.498 -11.548 4.831 1.00 75.13 O ATOM 1198 CB LYS A 85 12.512 -13.999 7.032 1.00 12.41 C ATOM 1199 CG LYS A 85 13.866 -13.879 7.734 1.00 22.53 C ATOM 1200 CD LYS A 85 15.032 -13.722 6.797 1.00 3.10 C ATOM 1201 CE LYS A 85 16.327 -13.634 7.567 1.00 3.32 C ATOM 1202 NZ LYS A 85 16.325 -12.491 8.520 1.00 13.42 N ATOM 0 H LYS A 85 10.198 -13.825 6.457 1.00 21.32 H new ATOM 0 HA LYS A 85 12.170 -11.857 6.856 1.00 33.41 H new ATOM 0 HB2 LYS A 85 11.769 -14.275 7.781 1.00 12.41 H new ATOM 0 HB3 LYS A 85 12.573 -14.826 6.324 1.00 12.41 H new ATOM 0 HG2 LYS A 85 13.839 -13.024 8.409 1.00 22.53 H new ATOM 0 HG3 LYS A 85 14.024 -14.765 8.349 1.00 22.53 H new ATOM 0 HD2 LYS A 85 15.069 -14.567 6.109 1.00 3.10 H new ATOM 0 HD3 LYS A 85 14.901 -12.825 6.192 1.00 3.10 H new ATOM 0 HE2 LYS A 85 16.489 -14.563 8.114 1.00 3.32 H new ATOM 0 HE3 LYS A 85 17.158 -13.525 6.870 1.00 3.32 H new ATOM 0 HZ1 LYS A 85 17.297 -12.305 8.841 1.00 13.42 H new ATOM 0 HZ2 LYS A 85 15.948 -11.645 8.047 1.00 13.42 H new ATOM 0 HZ3 LYS A 85 15.729 -12.724 9.340 1.00 13.42 H new ATOM 1216 N ARG A 86 12.497 -13.296 3.888 1.00 72.22 N ATOM 1217 CA ARG A 86 13.162 -13.051 2.583 1.00 10.22 C ATOM 1218 C ARG A 86 12.172 -13.156 1.435 1.00 15.25 C ATOM 1219 O ARG A 86 11.080 -13.687 1.617 1.00 22.12 O ATOM 1220 CB ARG A 86 14.402 -13.944 2.331 1.00 23.35 C ATOM 1221 CG ARG A 86 15.525 -13.762 3.338 1.00 50.20 C ATOM 1222 CD ARG A 86 16.827 -14.430 2.902 1.00 20.00 C ATOM 1223 NE ARG A 86 16.707 -15.875 2.671 1.00 50.31 N ATOM 1224 CZ ARG A 86 17.756 -16.709 2.529 1.00 41.30 C ATOM 1225 NH1 ARG A 86 18.999 -16.251 2.653 1.00 44.44 N ATOM 1226 NH2 ARG A 86 17.555 -17.997 2.266 1.00 44.13 N ATOM 0 H ARG A 86 11.869 -14.100 3.909 1.00 72.22 H new ATOM 0 HA ARG A 86 13.538 -12.029 2.633 1.00 10.22 H new ATOM 0 HB2 ARG A 86 14.090 -14.988 2.339 1.00 23.35 H new ATOM 0 HB3 ARG A 86 14.788 -13.735 1.333 1.00 23.35 H new ATOM 0 HG2 ARG A 86 15.702 -12.697 3.489 1.00 50.20 H new ATOM 0 HG3 ARG A 86 15.215 -14.173 4.299 1.00 50.20 H new ATOM 0 HD2 ARG A 86 17.179 -13.954 1.987 1.00 20.00 H new ATOM 0 HD3 ARG A 86 17.586 -14.256 3.665 1.00 20.00 H new ATOM 0 HE ARG A 86 15.770 -16.273 2.614 1.00 50.31 H new ATOM 0 HH11 ARG A 86 19.161 -15.265 2.856 1.00 44.44 H new ATOM 0 HH12 ARG A 86 19.790 -16.886 2.545 1.00 44.44 H new ATOM 0 HH21 ARG A 86 16.605 -18.356 2.171 1.00 44.13 H new ATOM 0 HH22 ARG A 86 18.351 -18.626 2.159 1.00 44.13 H new ATOM 1238 N ALA A 87 12.573 -12.677 0.256 1.00 63.14 N ATOM 1239 CA ALA A 87 11.683 -12.583 -0.925 1.00 51.44 C ATOM 1240 C ALA A 87 11.282 -13.939 -1.499 1.00 14.33 C ATOM 1241 O ALA A 87 10.286 -14.056 -2.211 1.00 33.05 O ATOM 1242 CB ALA A 87 12.312 -11.714 -2.000 1.00 43.45 C ATOM 0 H ALA A 87 13.521 -12.341 0.083 1.00 63.14 H new ATOM 0 HA ALA A 87 10.762 -12.118 -0.574 1.00 51.44 H new ATOM 0 HB1 ALA A 87 11.644 -11.657 -2.859 1.00 43.45 H new ATOM 0 HB2 ALA A 87 12.481 -10.712 -1.605 1.00 43.45 H new ATOM 0 HB3 ALA A 87 13.263 -12.148 -2.308 1.00 43.45 H new ATOM 1248 N SER A 88 12.060 -14.950 -1.214 1.00 11.44 N ATOM 1249 CA SER A 88 11.758 -16.283 -1.677 1.00 31.24 C ATOM 1250 C SER A 88 10.846 -17.010 -0.668 1.00 52.01 C ATOM 1251 O SER A 88 10.533 -18.191 -0.820 1.00 70.54 O ATOM 1252 CB SER A 88 13.065 -17.056 -1.923 1.00 5.23 C ATOM 1253 OG SER A 88 12.831 -18.379 -2.399 1.00 3.03 O ATOM 0 H SER A 88 12.913 -14.877 -0.660 1.00 11.44 H new ATOM 0 HA SER A 88 11.216 -16.225 -2.621 1.00 31.24 H new ATOM 0 HB2 SER A 88 13.674 -16.514 -2.647 1.00 5.23 H new ATOM 0 HB3 SER A 88 13.637 -17.102 -0.996 1.00 5.23 H new ATOM 0 HG SER A 88 11.944 -18.679 -2.109 1.00 3.03 H new ATOM 1259 N HIS A 89 10.424 -16.295 0.352 1.00 71.52 N ATOM 1260 CA HIS A 89 9.512 -16.844 1.340 1.00 40.31 C ATOM 1261 C HIS A 89 8.120 -16.467 0.928 1.00 14.34 C ATOM 1262 O HIS A 89 7.928 -15.446 0.270 1.00 60.02 O ATOM 1263 CB HIS A 89 9.789 -16.297 2.757 1.00 12.40 C ATOM 1264 CG HIS A 89 11.124 -16.657 3.353 1.00 61.44 C ATOM 1265 ND1 HIS A 89 12.302 -16.968 2.776 1.00 42.04 N flip ATOM 1266 CD2 HIS A 89 11.371 -16.638 4.707 1.00 50.15 C flip ATOM 1267 CE1 HIS A 89 13.226 -17.117 3.774 1.00 61.22 C flip ATOM 1268 NE2 HIS A 89 12.642 -16.910 4.928 1.00 74.34 N flip ATOM 0 H HIS A 89 10.698 -15.327 0.522 1.00 71.52 H new ATOM 0 HA HIS A 89 9.645 -17.925 1.381 1.00 40.31 H new ATOM 0 HB2 HIS A 89 9.707 -15.210 2.728 1.00 12.40 H new ATOM 0 HB3 HIS A 89 9.006 -16.658 3.424 1.00 12.40 H new ATOM 0 HD2 HIS A 89 10.636 -16.432 5.471 1.00 50.15 H new ATOM 0 HE1 HIS A 89 14.268 -17.365 3.633 1.00 61.22 H new ATOM 0 HE2 HIS A 89 13.093 -16.952 5.842 1.00 74.34 H new ATOM 1277 N LYS A 90 7.160 -17.256 1.290 1.00 74.12 N ATOM 1278 CA LYS A 90 5.810 -16.960 0.921 1.00 44.43 C ATOM 1279 C LYS A 90 5.134 -16.163 2.034 1.00 64.24 C ATOM 1280 O LYS A 90 5.253 -16.516 3.223 1.00 45.11 O ATOM 1281 CB LYS A 90 5.027 -18.245 0.601 1.00 4.43 C ATOM 1282 CG LYS A 90 4.869 -19.205 1.765 1.00 60.43 C ATOM 1283 CD LYS A 90 4.069 -20.427 1.370 1.00 24.01 C ATOM 1284 CE LYS A 90 3.820 -21.335 2.565 1.00 12.44 C ATOM 1285 NZ LYS A 90 3.058 -20.644 3.637 1.00 10.03 N ATOM 0 H LYS A 90 7.283 -18.107 1.838 1.00 74.12 H new ATOM 0 HA LYS A 90 5.819 -16.355 0.015 1.00 44.43 H new ATOM 0 HB2 LYS A 90 4.036 -17.969 0.240 1.00 4.43 H new ATOM 0 HB3 LYS A 90 5.530 -18.765 -0.214 1.00 4.43 H new ATOM 0 HG2 LYS A 90 5.852 -19.512 2.121 1.00 60.43 H new ATOM 0 HG3 LYS A 90 4.374 -18.697 2.593 1.00 60.43 H new ATOM 0 HD2 LYS A 90 3.116 -20.117 0.941 1.00 24.01 H new ATOM 0 HD3 LYS A 90 4.602 -20.979 0.596 1.00 24.01 H new ATOM 0 HE2 LYS A 90 3.270 -22.219 2.241 1.00 12.44 H new ATOM 0 HE3 LYS A 90 4.774 -21.681 2.963 1.00 12.44 H new ATOM 0 HZ1 LYS A 90 2.648 -21.350 4.281 1.00 10.03 H new ATOM 0 HZ2 LYS A 90 3.697 -20.019 4.169 1.00 10.03 H new ATOM 0 HZ3 LYS A 90 2.295 -20.079 3.212 1.00 10.03 H new ATOM 1299 N PRO A 91 4.467 -15.055 1.698 1.00 15.43 N ATOM 1300 CA PRO A 91 3.754 -14.267 2.690 1.00 64.31 C ATOM 1301 C PRO A 91 2.554 -15.030 3.249 1.00 32.21 C ATOM 1302 O PRO A 91 1.853 -15.750 2.519 1.00 34.32 O ATOM 1303 CB PRO A 91 3.291 -13.027 1.920 1.00 30.25 C ATOM 1304 CG PRO A 91 3.289 -13.439 0.495 1.00 23.32 C ATOM 1305 CD PRO A 91 4.376 -14.465 0.345 1.00 53.03 C ATOM 0 HA PRO A 91 4.380 -14.024 3.549 1.00 64.31 H new ATOM 0 HB2 PRO A 91 2.298 -12.711 2.241 1.00 30.25 H new ATOM 0 HB3 PRO A 91 3.963 -12.185 2.087 1.00 30.25 H new ATOM 0 HG2 PRO A 91 2.322 -13.855 0.213 1.00 23.32 H new ATOM 0 HG3 PRO A 91 3.470 -12.584 -0.156 1.00 23.32 H new ATOM 0 HD2 PRO A 91 4.123 -15.214 -0.405 1.00 53.03 H new ATOM 0 HD3 PRO A 91 5.319 -14.012 0.038 1.00 53.03 H new ATOM 1313 N THR A 92 2.335 -14.879 4.525 1.00 10.34 N ATOM 1314 CA THR A 92 1.254 -15.539 5.198 1.00 20.10 C ATOM 1315 C THR A 92 0.063 -14.586 5.200 1.00 5.32 C ATOM 1316 O THR A 92 0.251 -13.363 5.159 1.00 73.00 O ATOM 1317 CB THR A 92 1.667 -15.739 6.668 1.00 13.22 C ATOM 1318 OG1 THR A 92 3.033 -16.140 6.730 1.00 72.40 O ATOM 1319 CG2 THR A 92 0.812 -16.787 7.361 1.00 72.20 C ATOM 0 H THR A 92 2.906 -14.290 5.131 1.00 10.34 H new ATOM 0 HA THR A 92 1.015 -16.487 4.715 1.00 20.10 H new ATOM 0 HB THR A 92 1.523 -14.789 7.182 1.00 13.22 H new ATOM 0 HG1 THR A 92 3.496 -15.618 7.418 1.00 72.40 H new ATOM 0 HG21 THR A 92 1.138 -16.896 8.396 1.00 72.20 H new ATOM 0 HG22 THR A 92 -0.233 -16.476 7.340 1.00 72.20 H new ATOM 0 HG23 THR A 92 0.917 -17.741 6.845 1.00 72.20 H new ATOM 1325 N TYR A 93 -1.134 -15.113 5.294 1.00 52.32 N ATOM 1326 CA TYR A 93 -2.306 -14.276 5.402 1.00 41.33 C ATOM 1327 C TYR A 93 -2.341 -13.568 6.737 1.00 73.50 C ATOM 1328 O TYR A 93 -2.799 -12.439 6.833 1.00 33.33 O ATOM 1329 CB TYR A 93 -3.604 -15.050 5.145 1.00 25.41 C ATOM 1330 CG TYR A 93 -3.817 -15.418 3.697 1.00 0.02 C ATOM 1331 CD1 TYR A 93 -4.285 -14.470 2.805 1.00 5.33 C ATOM 1332 CD2 TYR A 93 -3.562 -16.696 3.218 1.00 41.41 C ATOM 1333 CE1 TYR A 93 -4.496 -14.774 1.485 1.00 70.51 C ATOM 1334 CE2 TYR A 93 -3.770 -17.009 1.888 1.00 50.30 C ATOM 1335 CZ TYR A 93 -4.240 -16.039 1.028 1.00 12.30 C ATOM 1336 OH TYR A 93 -4.449 -16.334 -0.296 1.00 54.41 O ATOM 0 H TYR A 93 -1.323 -16.115 5.298 1.00 52.32 H new ATOM 0 HA TYR A 93 -2.235 -13.522 4.618 1.00 41.33 H new ATOM 0 HB2 TYR A 93 -3.598 -15.960 5.744 1.00 25.41 H new ATOM 0 HB3 TYR A 93 -4.448 -14.450 5.486 1.00 25.41 H new ATOM 0 HD1 TYR A 93 -4.488 -13.469 3.156 1.00 5.33 H new ATOM 0 HD2 TYR A 93 -3.196 -17.455 3.893 1.00 41.41 H new ATOM 0 HE1 TYR A 93 -4.863 -14.018 0.807 1.00 70.51 H new ATOM 0 HE2 TYR A 93 -3.566 -18.006 1.525 1.00 50.30 H new ATOM 0 HH TYR A 93 -4.235 -17.276 -0.459 1.00 54.41 H new ATOM 1346 N GLU A 94 -1.827 -14.217 7.765 1.00 21.25 N ATOM 1347 CA GLU A 94 -1.796 -13.608 9.071 1.00 70.34 C ATOM 1348 C GLU A 94 -0.785 -12.456 9.096 1.00 15.22 C ATOM 1349 O GLU A 94 -1.085 -11.382 9.600 1.00 10.24 O ATOM 1350 CB GLU A 94 -1.503 -14.633 10.159 1.00 32.31 C ATOM 1351 CG GLU A 94 -1.629 -14.067 11.561 1.00 22.31 C ATOM 1352 CD GLU A 94 -1.403 -15.098 12.624 1.00 24.30 C ATOM 1353 OE1 GLU A 94 -2.343 -15.869 12.923 1.00 23.03 O ATOM 1354 OE2 GLU A 94 -0.300 -15.146 13.194 1.00 31.43 O ATOM 0 H GLU A 94 -1.430 -15.156 7.718 1.00 21.25 H new ATOM 0 HA GLU A 94 -2.784 -13.199 9.280 1.00 70.34 H new ATOM 0 HB2 GLU A 94 -2.187 -15.474 10.051 1.00 32.31 H new ATOM 0 HB3 GLU A 94 -0.494 -15.023 10.020 1.00 32.31 H new ATOM 0 HG2 GLU A 94 -0.910 -13.257 11.687 1.00 22.31 H new ATOM 0 HG3 GLU A 94 -2.622 -13.634 11.686 1.00 22.31 H new ATOM 1361 N ASN A 95 0.405 -12.673 8.510 1.00 33.34 N ATOM 1362 CA ASN A 95 1.413 -11.599 8.437 1.00 52.34 C ATOM 1363 C ASN A 95 0.934 -10.440 7.579 1.00 13.30 C ATOM 1364 O ASN A 95 1.280 -9.284 7.832 1.00 74.04 O ATOM 1365 CB ASN A 95 2.811 -12.085 7.974 1.00 52.12 C ATOM 1366 CG ASN A 95 3.531 -12.942 9.009 1.00 53.03 C ATOM 1367 OD1 ASN A 95 3.455 -14.241 8.883 1.00 1.02 O flip ATOM 1368 ND2 ASN A 95 4.217 -12.421 9.885 1.00 62.23 N flip ATOM 0 H ASN A 95 0.689 -13.558 8.090 1.00 33.34 H new ATOM 0 HA ASN A 95 1.535 -11.248 9.462 1.00 52.34 H new ATOM 0 HB2 ASN A 95 2.701 -12.658 7.053 1.00 52.12 H new ATOM 0 HB3 ASN A 95 3.429 -11.218 7.739 1.00 52.12 H new ATOM 0 HD21 ASN A 95 4.260 -11.405 9.962 1.00 62.23 H new ATOM 0 HD22 ASN A 95 4.744 -13.005 10.535 1.00 62.23 H new ATOM 1374 N LEU A 96 0.125 -10.751 6.569 1.00 30.20 N ATOM 1375 CA LEU A 96 -0.459 -9.730 5.719 1.00 65.55 C ATOM 1376 C LEU A 96 -1.440 -8.896 6.534 1.00 31.24 C ATOM 1377 O LEU A 96 -1.393 -7.664 6.513 1.00 22.13 O ATOM 1378 CB LEU A 96 -1.174 -10.380 4.527 1.00 51.44 C ATOM 1379 CG LEU A 96 -1.886 -9.433 3.558 1.00 61.24 C ATOM 1380 CD1 LEU A 96 -0.906 -8.449 2.931 1.00 23.50 C ATOM 1381 CD2 LEU A 96 -2.607 -10.223 2.483 1.00 52.01 C ATOM 0 H LEU A 96 -0.138 -11.705 6.323 1.00 30.20 H new ATOM 0 HA LEU A 96 0.330 -9.083 5.336 1.00 65.55 H new ATOM 0 HB2 LEU A 96 -0.441 -10.957 3.963 1.00 51.44 H new ATOM 0 HB3 LEU A 96 -1.908 -11.087 4.914 1.00 51.44 H new ATOM 0 HG LEU A 96 -2.621 -8.860 4.124 1.00 61.24 H new ATOM 0 HD11 LEU A 96 -1.440 -7.789 2.247 1.00 23.50 H new ATOM 0 HD12 LEU A 96 -0.435 -7.855 3.715 1.00 23.50 H new ATOM 0 HD13 LEU A 96 -0.141 -8.998 2.382 1.00 23.50 H new ATOM 0 HD21 LEU A 96 -3.109 -9.536 1.801 1.00 52.01 H new ATOM 0 HD22 LEU A 96 -1.886 -10.824 1.928 1.00 52.01 H new ATOM 0 HD23 LEU A 96 -3.345 -10.878 2.946 1.00 52.01 H new ATOM 1389 N GLN A 97 -2.295 -9.593 7.276 1.00 73.20 N ATOM 1390 CA GLN A 97 -3.298 -8.986 8.136 1.00 34.42 C ATOM 1391 C GLN A 97 -2.652 -8.005 9.099 1.00 74.30 C ATOM 1392 O GLN A 97 -3.055 -6.850 9.176 1.00 10.20 O ATOM 1393 CB GLN A 97 -3.996 -10.074 8.940 1.00 1.43 C ATOM 1394 CG GLN A 97 -5.077 -9.569 9.866 1.00 53.22 C ATOM 1395 CD GLN A 97 -5.605 -10.654 10.760 1.00 32.05 C ATOM 1396 OE1 GLN A 97 -4.889 -11.577 11.119 1.00 44.13 O ATOM 1397 NE2 GLN A 97 -6.845 -10.566 11.113 1.00 32.10 N ATOM 0 H GLN A 97 -2.308 -10.613 7.295 1.00 73.20 H new ATOM 0 HA GLN A 97 -4.016 -8.454 7.512 1.00 34.42 H new ATOM 0 HB2 GLN A 97 -4.434 -10.795 8.249 1.00 1.43 H new ATOM 0 HB3 GLN A 97 -3.251 -10.609 9.529 1.00 1.43 H new ATOM 0 HG2 GLN A 97 -4.681 -8.757 10.476 1.00 53.22 H new ATOM 0 HG3 GLN A 97 -5.895 -9.155 9.276 1.00 53.22 H new ATOM 0 HE21 GLN A 97 -7.412 -9.780 10.793 1.00 32.10 H new ATOM 0 HE22 GLN A 97 -7.257 -11.282 11.711 1.00 32.10 H new ATOM 1405 N LYS A 98 -1.623 -8.481 9.807 1.00 63.05 N ATOM 1406 CA LYS A 98 -0.919 -7.686 10.813 1.00 51.23 C ATOM 1407 C LYS A 98 -0.401 -6.392 10.216 1.00 70.03 C ATOM 1408 O LYS A 98 -0.499 -5.328 10.824 1.00 20.34 O ATOM 1409 CB LYS A 98 0.261 -8.463 11.398 1.00 40.12 C ATOM 1410 CG LYS A 98 -0.029 -9.844 12.035 1.00 22.32 C ATOM 1411 CD LYS A 98 -1.018 -9.839 13.220 1.00 50.23 C ATOM 1412 CE LYS A 98 -2.477 -9.745 12.789 1.00 51.12 C ATOM 1413 NZ LYS A 98 -3.392 -9.735 13.944 1.00 54.54 N ATOM 0 H LYS A 98 -1.257 -9.427 9.698 1.00 63.05 H new ATOM 0 HA LYS A 98 -1.634 -7.462 11.604 1.00 51.23 H new ATOM 0 HB2 LYS A 98 0.994 -8.608 10.604 1.00 40.12 H new ATOM 0 HB3 LYS A 98 0.732 -7.837 12.156 1.00 40.12 H new ATOM 0 HG2 LYS A 98 -0.420 -10.505 11.262 1.00 22.32 H new ATOM 0 HG3 LYS A 98 0.914 -10.273 12.374 1.00 22.32 H new ATOM 0 HD2 LYS A 98 -0.877 -10.748 13.805 1.00 50.23 H new ATOM 0 HD3 LYS A 98 -0.785 -8.999 13.875 1.00 50.23 H new ATOM 0 HE2 LYS A 98 -2.624 -8.839 12.201 1.00 51.12 H new ATOM 0 HE3 LYS A 98 -2.719 -10.588 12.141 1.00 51.12 H new ATOM 0 HZ1 LYS A 98 -3.980 -10.593 13.929 1.00 54.54 H new ATOM 0 HZ2 LYS A 98 -2.839 -9.709 14.825 1.00 54.54 H new ATOM 0 HZ3 LYS A 98 -4.004 -8.895 13.895 1.00 54.54 H new ATOM 1427 N SER A 99 0.113 -6.489 9.016 1.00 61.52 N ATOM 1428 CA SER A 99 0.668 -5.361 8.328 1.00 60.21 C ATOM 1429 C SER A 99 -0.447 -4.372 7.897 1.00 53.34 C ATOM 1430 O SER A 99 -0.308 -3.151 8.062 1.00 54.12 O ATOM 1431 CB SER A 99 1.471 -5.859 7.134 1.00 63.43 C ATOM 1432 OG SER A 99 2.457 -6.796 7.553 1.00 53.50 O ATOM 0 H SER A 99 0.156 -7.361 8.489 1.00 61.52 H new ATOM 0 HA SER A 99 1.333 -4.813 8.996 1.00 60.21 H new ATOM 0 HB2 SER A 99 0.804 -6.324 6.408 1.00 63.43 H new ATOM 0 HB3 SER A 99 1.950 -5.017 6.634 1.00 63.43 H new ATOM 0 HG SER A 99 2.046 -7.680 7.655 1.00 53.50 H new ATOM 1438 N LEU A 100 -1.559 -4.910 7.384 1.00 75.24 N ATOM 1439 CA LEU A 100 -2.699 -4.086 6.949 1.00 24.01 C ATOM 1440 C LEU A 100 -3.280 -3.296 8.116 1.00 72.20 C ATOM 1441 O LEU A 100 -3.645 -2.117 7.978 1.00 53.45 O ATOM 1442 CB LEU A 100 -3.808 -4.958 6.329 1.00 23.41 C ATOM 1443 CG LEU A 100 -3.459 -5.738 5.057 1.00 54.12 C ATOM 1444 CD1 LEU A 100 -4.636 -6.590 4.629 1.00 1.35 C ATOM 1445 CD2 LEU A 100 -3.066 -4.796 3.934 1.00 72.22 C ATOM 0 H LEU A 100 -1.697 -5.913 7.259 1.00 75.24 H new ATOM 0 HA LEU A 100 -2.326 -3.392 6.196 1.00 24.01 H new ATOM 0 HB2 LEU A 100 -4.137 -5.673 7.084 1.00 23.41 H new ATOM 0 HB3 LEU A 100 -4.659 -4.314 6.107 1.00 23.41 H new ATOM 0 HG LEU A 100 -2.609 -6.384 5.276 1.00 54.12 H new ATOM 0 HD11 LEU A 100 -4.377 -7.140 3.724 1.00 1.35 H new ATOM 0 HD12 LEU A 100 -4.883 -7.294 5.423 1.00 1.35 H new ATOM 0 HD13 LEU A 100 -5.496 -5.950 4.431 1.00 1.35 H new ATOM 0 HD21 LEU A 100 -2.823 -5.374 3.042 1.00 72.22 H new ATOM 0 HD22 LEU A 100 -3.896 -4.124 3.716 1.00 72.22 H new ATOM 0 HD23 LEU A 100 -2.196 -4.212 4.236 1.00 72.22 H new ATOM 1453 N GLU A 101 -3.320 -3.938 9.266 1.00 20.24 N ATOM 1454 CA GLU A 101 -3.898 -3.346 10.475 1.00 24.44 C ATOM 1455 C GLU A 101 -3.056 -2.183 10.978 1.00 14.11 C ATOM 1456 O GLU A 101 -3.564 -1.250 11.592 1.00 51.21 O ATOM 1457 CB GLU A 101 -4.098 -4.386 11.582 1.00 20.21 C ATOM 1458 CG GLU A 101 -4.992 -5.547 11.180 1.00 14.44 C ATOM 1459 CD GLU A 101 -5.272 -6.490 12.316 1.00 42.51 C ATOM 1460 OE1 GLU A 101 -4.363 -7.224 12.749 1.00 35.10 O ATOM 1461 OE2 GLU A 101 -6.420 -6.524 12.793 1.00 72.00 O ATOM 0 H GLU A 101 -2.956 -4.882 9.398 1.00 20.24 H new ATOM 0 HA GLU A 101 -4.881 -2.963 10.201 1.00 24.44 H new ATOM 0 HB2 GLU A 101 -3.125 -4.776 11.881 1.00 20.21 H new ATOM 0 HB3 GLU A 101 -4.527 -3.895 12.455 1.00 20.21 H new ATOM 0 HG2 GLU A 101 -5.935 -5.157 10.797 1.00 14.44 H new ATOM 0 HG3 GLU A 101 -4.520 -6.097 10.366 1.00 14.44 H new ATOM 1468 N ALA A 102 -1.782 -2.239 10.717 1.00 73.02 N ATOM 1469 CA ALA A 102 -0.893 -1.185 11.125 1.00 30.52 C ATOM 1470 C ALA A 102 -1.124 0.079 10.292 1.00 45.13 C ATOM 1471 O ALA A 102 -1.021 1.202 10.801 1.00 11.53 O ATOM 1472 CB ALA A 102 0.544 -1.649 11.033 1.00 21.50 C ATOM 0 H ALA A 102 -1.331 -3.008 10.220 1.00 73.02 H new ATOM 0 HA ALA A 102 -1.104 -0.934 12.164 1.00 30.52 H new ATOM 0 HB1 ALA A 102 1.207 -0.842 11.344 1.00 21.50 H new ATOM 0 HB2 ALA A 102 0.690 -2.511 11.684 1.00 21.50 H new ATOM 0 HB3 ALA A 102 0.771 -1.929 10.004 1.00 21.50 H new ATOM 1478 N MET A 103 -1.480 -0.104 9.018 1.00 13.23 N ATOM 1479 CA MET A 103 -1.700 1.034 8.135 1.00 73.15 C ATOM 1480 C MET A 103 -2.905 1.839 8.539 1.00 5.21 C ATOM 1481 O MET A 103 -2.839 3.061 8.557 1.00 33.15 O ATOM 1482 CB MET A 103 -1.818 0.652 6.660 1.00 74.22 C ATOM 1483 CG MET A 103 -0.580 0.029 6.068 1.00 21.21 C ATOM 1484 SD MET A 103 -0.692 -0.170 4.275 1.00 22.40 S ATOM 1485 CE MET A 103 -2.151 -1.191 4.106 1.00 40.35 C ATOM 0 H MET A 103 -1.619 -1.016 8.584 1.00 13.23 H new ATOM 0 HA MET A 103 -0.804 1.645 8.247 1.00 73.15 H new ATOM 0 HB2 MET A 103 -2.649 -0.044 6.545 1.00 74.22 H new ATOM 0 HB3 MET A 103 -2.068 1.545 6.087 1.00 74.22 H new ATOM 0 HG2 MET A 103 0.284 0.648 6.308 1.00 21.21 H new ATOM 0 HG3 MET A 103 -0.412 -0.945 6.528 1.00 21.21 H new ATOM 0 HE1 MET A 103 -2.014 -1.888 3.279 1.00 40.35 H new ATOM 0 HE2 MET A 103 -2.313 -1.749 5.028 1.00 40.35 H new ATOM 0 HE3 MET A 103 -3.017 -0.559 3.908 1.00 40.35 H new ATOM 1495 N LYS A 104 -4.003 1.163 8.872 1.00 53.42 N ATOM 1496 CA LYS A 104 -5.235 1.853 9.253 1.00 5.32 C ATOM 1497 C LYS A 104 -5.018 2.772 10.442 1.00 51.33 C ATOM 1498 O LYS A 104 -5.417 3.938 10.415 1.00 30.25 O ATOM 1499 CB LYS A 104 -6.378 0.876 9.520 1.00 32.20 C ATOM 1500 CG LYS A 104 -6.153 -0.098 10.653 1.00 52.41 C ATOM 1501 CD LYS A 104 -7.375 -0.930 10.916 1.00 0.42 C ATOM 1502 CE LYS A 104 -8.557 -0.037 11.162 1.00 70.52 C ATOM 1503 NZ LYS A 104 -9.743 -0.796 11.602 1.00 12.23 N ATOM 0 H LYS A 104 -4.066 0.145 8.886 1.00 53.42 H new ATOM 0 HA LYS A 104 -5.524 2.470 8.402 1.00 5.32 H new ATOM 0 HB2 LYS A 104 -7.280 1.450 9.732 1.00 32.20 H new ATOM 0 HB3 LYS A 104 -6.567 0.308 8.609 1.00 32.20 H new ATOM 0 HG2 LYS A 104 -5.313 -0.750 10.412 1.00 52.41 H new ATOM 0 HG3 LYS A 104 -5.883 0.449 11.556 1.00 52.41 H new ATOM 0 HD2 LYS A 104 -7.572 -1.582 10.065 1.00 0.42 H new ATOM 0 HD3 LYS A 104 -7.208 -1.574 11.780 1.00 0.42 H new ATOM 0 HE2 LYS A 104 -8.300 0.704 11.919 1.00 70.52 H new ATOM 0 HE3 LYS A 104 -8.795 0.509 10.249 1.00 70.52 H new ATOM 0 HZ1 LYS A 104 -10.466 -0.137 11.953 1.00 12.23 H new ATOM 0 HZ2 LYS A 104 -10.127 -1.336 10.800 1.00 12.23 H new ATOM 0 HZ3 LYS A 104 -9.473 -1.451 12.363 1.00 12.23 H new ATOM 1517 N SER A 105 -4.351 2.253 11.455 1.00 75.01 N ATOM 1518 CA SER A 105 -4.048 3.001 12.645 1.00 74.13 C ATOM 1519 C SER A 105 -3.190 4.230 12.298 1.00 3.34 C ATOM 1520 O SER A 105 -3.524 5.361 12.672 1.00 14.54 O ATOM 1521 CB SER A 105 -3.307 2.084 13.606 1.00 63.30 C ATOM 1522 OG SER A 105 -4.033 0.868 13.785 1.00 71.30 O ATOM 0 H SER A 105 -4.005 1.294 11.469 1.00 75.01 H new ATOM 0 HA SER A 105 -4.967 3.358 13.109 1.00 74.13 H new ATOM 0 HB2 SER A 105 -2.311 1.868 13.219 1.00 63.30 H new ATOM 0 HB3 SER A 105 -3.175 2.582 14.567 1.00 63.30 H new ATOM 0 HG SER A 105 -3.747 0.214 13.114 1.00 71.30 H new ATOM 1528 N HIS A 106 -2.122 4.001 11.530 1.00 2.22 N ATOM 1529 CA HIS A 106 -1.212 5.070 11.118 1.00 64.22 C ATOM 1530 C HIS A 106 -1.937 6.151 10.311 1.00 62.14 C ATOM 1531 O HIS A 106 -1.712 7.351 10.526 1.00 63.14 O ATOM 1532 CB HIS A 106 -0.043 4.505 10.289 1.00 64.23 C ATOM 1533 CG HIS A 106 0.918 5.561 9.802 1.00 34.43 C ATOM 1534 ND1 HIS A 106 0.776 6.197 8.587 1.00 31.21 N ATOM 1535 CD2 HIS A 106 2.015 6.100 10.372 1.00 71.31 C ATOM 1536 CE1 HIS A 106 1.722 7.069 8.428 1.00 65.11 C ATOM 1537 NE2 HIS A 106 2.502 7.040 9.494 1.00 73.14 N ATOM 0 H HIS A 106 -1.866 3.078 11.179 1.00 2.22 H new ATOM 0 HA HIS A 106 -0.821 5.525 12.028 1.00 64.22 H new ATOM 0 HB2 HIS A 106 0.503 3.780 10.893 1.00 64.23 H new ATOM 0 HB3 HIS A 106 -0.444 3.967 9.430 1.00 64.23 H new ATOM 0 HD1 HIS A 106 0.035 6.009 7.912 1.00 31.21 H new ATOM 0 HD2 HIS A 106 2.432 5.843 11.335 1.00 71.31 H new ATOM 0 HE1 HIS A 106 1.851 7.711 7.569 1.00 65.11 H new ATOM 1546 N CYS A 107 -2.786 5.725 9.383 1.00 53.45 N ATOM 1547 CA CYS A 107 -3.510 6.645 8.526 1.00 71.22 C ATOM 1548 C CYS A 107 -4.364 7.595 9.334 1.00 10.11 C ATOM 1549 O CYS A 107 -4.278 8.806 9.149 1.00 54.33 O ATOM 1550 CB CYS A 107 -4.352 5.900 7.493 1.00 4.54 C ATOM 1551 SG CYS A 107 -3.396 4.882 6.353 1.00 24.11 S ATOM 0 H CYS A 107 -2.988 4.741 9.207 1.00 53.45 H new ATOM 0 HA CYS A 107 -2.770 7.237 7.988 1.00 71.22 H new ATOM 0 HB2 CYS A 107 -5.069 5.266 8.015 1.00 4.54 H new ATOM 0 HB3 CYS A 107 -4.928 6.626 6.919 1.00 4.54 H new ATOM 0 HG CYS A 107 -2.914 3.855 6.988 1.00 24.11 H new ATOM 1557 N LEU A 108 -5.138 7.051 10.259 1.00 35.43 N ATOM 1558 CA LEU A 108 -6.012 7.855 11.108 1.00 3.42 C ATOM 1559 C LEU A 108 -5.203 8.883 11.900 1.00 50.13 C ATOM 1560 O LEU A 108 -5.584 10.045 12.002 1.00 50.22 O ATOM 1561 CB LEU A 108 -6.793 6.956 12.072 1.00 53.14 C ATOM 1562 CG LEU A 108 -7.701 5.899 11.433 1.00 1.12 C ATOM 1563 CD1 LEU A 108 -8.358 5.051 12.505 1.00 3.21 C ATOM 1564 CD2 LEU A 108 -8.758 6.554 10.552 1.00 61.22 C ATOM 0 H LEU A 108 -5.181 6.049 10.444 1.00 35.43 H new ATOM 0 HA LEU A 108 -6.715 8.384 10.465 1.00 3.42 H new ATOM 0 HB2 LEU A 108 -6.079 6.447 12.719 1.00 53.14 H new ATOM 0 HB3 LEU A 108 -7.406 7.591 12.711 1.00 53.14 H new ATOM 0 HG LEU A 108 -7.086 5.254 10.805 1.00 1.12 H new ATOM 0 HD11 LEU A 108 -9.000 4.305 12.036 1.00 3.21 H new ATOM 0 HD12 LEU A 108 -7.590 4.550 13.094 1.00 3.21 H new ATOM 0 HD13 LEU A 108 -8.957 5.688 13.156 1.00 3.21 H new ATOM 0 HD21 LEU A 108 -9.390 5.784 10.109 1.00 61.22 H new ATOM 0 HD22 LEU A 108 -9.370 7.224 11.155 1.00 61.22 H new ATOM 0 HD23 LEU A 108 -8.270 7.123 9.760 1.00 61.22 H new ATOM 1572 N LYS A 109 -4.076 8.446 12.431 1.00 50.50 N ATOM 1573 CA LYS A 109 -3.199 9.298 13.230 1.00 14.32 C ATOM 1574 C LYS A 109 -2.570 10.420 12.397 1.00 11.45 C ATOM 1575 O LYS A 109 -2.462 11.556 12.853 1.00 42.11 O ATOM 1576 CB LYS A 109 -2.082 8.464 13.854 1.00 54.31 C ATOM 1577 CG LYS A 109 -2.541 7.347 14.776 1.00 34.31 C ATOM 1578 CD LYS A 109 -3.264 7.871 16.007 1.00 30.42 C ATOM 1579 CE LYS A 109 -3.645 6.736 16.949 1.00 61.51 C ATOM 1580 NZ LYS A 109 -2.458 5.984 17.412 1.00 12.32 N ATOM 0 H LYS A 109 -3.738 7.490 12.323 1.00 50.50 H new ATOM 0 HA LYS A 109 -3.816 9.750 14.007 1.00 14.32 H new ATOM 0 HB2 LYS A 109 -1.485 8.029 13.052 1.00 54.31 H new ATOM 0 HB3 LYS A 109 -1.425 9.129 14.415 1.00 54.31 H new ATOM 0 HG2 LYS A 109 -3.202 6.676 14.228 1.00 34.31 H new ATOM 0 HG3 LYS A 109 -1.678 6.759 15.088 1.00 34.31 H new ATOM 0 HD2 LYS A 109 -2.626 8.583 16.531 1.00 30.42 H new ATOM 0 HD3 LYS A 109 -4.161 8.411 15.703 1.00 30.42 H new ATOM 0 HE2 LYS A 109 -4.177 7.141 17.810 1.00 61.51 H new ATOM 0 HE3 LYS A 109 -4.330 6.057 16.441 1.00 61.51 H new ATOM 0 HZ1 LYS A 109 -2.712 5.410 18.241 1.00 12.32 H new ATOM 0 HZ2 LYS A 109 -2.123 5.361 16.650 1.00 12.32 H new ATOM 0 HZ3 LYS A 109 -1.704 6.651 17.671 1.00 12.32 H new ATOM 1594 N ASN A 110 -2.138 10.091 11.188 1.00 63.12 N ATOM 1595 CA ASN A 110 -1.454 11.076 10.307 1.00 42.02 C ATOM 1596 C ASN A 110 -2.401 11.882 9.438 1.00 71.13 C ATOM 1597 O ASN A 110 -1.959 12.765 8.695 1.00 23.11 O ATOM 1598 CB ASN A 110 -0.376 10.430 9.414 1.00 33.31 C ATOM 1599 CG ASN A 110 0.902 10.008 10.133 1.00 34.13 C ATOM 1600 OD1 ASN A 110 0.812 9.640 11.378 1.00 13.20 O flip ATOM 1601 ND2 ASN A 110 1.975 10.008 9.542 1.00 62.01 N flip ATOM 0 H ASN A 110 -2.239 9.161 10.781 1.00 63.12 H new ATOM 0 HA ASN A 110 -0.974 11.762 11.005 1.00 42.02 H new ATOM 0 HB2 ASN A 110 -0.807 9.554 8.930 1.00 33.31 H new ATOM 0 HB3 ASN A 110 -0.113 11.134 8.624 1.00 33.31 H new ATOM 0 HD21 ASN A 110 2.020 10.301 8.566 1.00 62.01 H new ATOM 0 HD22 ASN A 110 2.824 9.715 10.026 1.00 62.01 H new ATOM 1607 N GLY A 111 -3.677 11.589 9.502 1.00 30.21 N ATOM 1608 CA GLY A 111 -4.635 12.328 8.699 1.00 23.51 C ATOM 1609 C GLY A 111 -4.649 11.859 7.256 1.00 53.32 C ATOM 1610 O GLY A 111 -4.947 12.630 6.336 1.00 35.23 O ATOM 0 H GLY A 111 -4.077 10.857 10.090 1.00 30.21 H new ATOM 0 HA2 GLY A 111 -5.631 12.214 9.127 1.00 23.51 H new ATOM 0 HA3 GLY A 111 -4.393 13.390 8.733 1.00 23.51 H new ATOM 1614 N VAL A 112 -4.322 10.606 7.066 1.00 64.00 N ATOM 1615 CA VAL A 112 -4.314 9.982 5.764 1.00 43.24 C ATOM 1616 C VAL A 112 -5.596 9.172 5.625 1.00 73.41 C ATOM 1617 O VAL A 112 -5.947 8.413 6.518 1.00 70.13 O ATOM 1618 CB VAL A 112 -3.051 9.067 5.575 1.00 51.11 C ATOM 1619 CG1 VAL A 112 -3.104 8.301 4.258 1.00 1.14 C ATOM 1620 CG2 VAL A 112 -1.788 9.920 5.620 1.00 75.34 C ATOM 0 H VAL A 112 -4.049 9.979 7.823 1.00 64.00 H new ATOM 0 HA VAL A 112 -4.265 10.747 4.990 1.00 43.24 H new ATOM 0 HB VAL A 112 -3.039 8.340 6.387 1.00 51.11 H new ATOM 0 HG11 VAL A 112 -2.214 7.679 4.163 1.00 1.14 H new ATOM 0 HG12 VAL A 112 -3.992 7.669 4.240 1.00 1.14 H new ATOM 0 HG13 VAL A 112 -3.144 9.007 3.428 1.00 1.14 H new ATOM 0 HG21 VAL A 112 -0.914 9.283 5.489 1.00 75.34 H new ATOM 0 HG22 VAL A 112 -1.820 10.661 4.821 1.00 75.34 H new ATOM 0 HG23 VAL A 112 -1.726 10.427 6.583 1.00 75.34 H new ATOM 1626 N THR A 113 -6.320 9.376 4.559 1.00 45.31 N ATOM 1627 CA THR A 113 -7.570 8.673 4.365 1.00 64.45 C ATOM 1628 C THR A 113 -7.678 8.089 2.931 1.00 23.10 C ATOM 1629 O THR A 113 -8.539 7.250 2.647 1.00 1.53 O ATOM 1630 CB THR A 113 -8.752 9.623 4.685 1.00 14.14 C ATOM 1631 OG1 THR A 113 -8.528 10.191 5.989 1.00 71.35 O ATOM 1632 CG2 THR A 113 -10.072 8.873 4.720 1.00 63.10 C ATOM 0 H THR A 113 -6.071 10.021 3.809 1.00 45.31 H new ATOM 0 HA THR A 113 -7.607 7.825 5.049 1.00 64.45 H new ATOM 0 HB THR A 113 -8.805 10.388 3.910 1.00 14.14 H new ATOM 0 HG1 THR A 113 -9.264 10.798 6.212 1.00 71.35 H new ATOM 0 HG21 THR A 113 -10.880 9.569 4.947 1.00 63.10 H new ATOM 0 HG22 THR A 113 -10.253 8.410 3.750 1.00 63.10 H new ATOM 0 HG23 THR A 113 -10.032 8.101 5.488 1.00 63.10 H new ATOM 1638 N ASP A 114 -6.800 8.522 2.052 1.00 3.34 N ATOM 1639 CA ASP A 114 -6.765 7.994 0.693 1.00 41.02 C ATOM 1640 C ASP A 114 -5.595 7.041 0.634 1.00 15.22 C ATOM 1641 O ASP A 114 -4.453 7.447 0.866 1.00 30.32 O ATOM 1642 CB ASP A 114 -6.547 9.127 -0.332 1.00 40.20 C ATOM 1643 CG ASP A 114 -6.694 8.680 -1.785 1.00 75.43 C ATOM 1644 OD1 ASP A 114 -5.791 8.031 -2.326 1.00 13.52 O ATOM 1645 OD2 ASP A 114 -7.751 8.988 -2.401 1.00 3.31 O ATOM 0 H ASP A 114 -6.099 9.237 2.248 1.00 3.34 H new ATOM 0 HA ASP A 114 -7.707 7.503 0.451 1.00 41.02 H new ATOM 0 HB2 ASP A 114 -7.261 9.926 -0.133 1.00 40.20 H new ATOM 0 HB3 ASP A 114 -5.551 9.547 -0.190 1.00 40.20 H new ATOM 1650 N LEU A 115 -5.856 5.801 0.368 1.00 53.40 N ATOM 1651 CA LEU A 115 -4.806 4.817 0.356 1.00 43.13 C ATOM 1652 C LEU A 115 -4.703 4.314 -1.069 1.00 41.44 C ATOM 1653 O LEU A 115 -5.718 4.036 -1.698 1.00 72.32 O ATOM 1654 CB LEU A 115 -5.191 3.663 1.300 1.00 42.23 C ATOM 1655 CG LEU A 115 -4.065 2.792 1.912 1.00 40.34 C ATOM 1656 CD1 LEU A 115 -3.198 2.136 0.868 1.00 21.42 C ATOM 1657 CD2 LEU A 115 -3.228 3.594 2.889 1.00 14.52 C ATOM 0 H LEU A 115 -6.786 5.439 0.155 1.00 53.40 H new ATOM 0 HA LEU A 115 -3.855 5.232 0.689 1.00 43.13 H new ATOM 0 HB2 LEU A 115 -5.764 4.088 2.124 1.00 42.23 H new ATOM 0 HB3 LEU A 115 -5.862 3.000 0.754 1.00 42.23 H new ATOM 0 HG LEU A 115 -4.557 1.986 2.456 1.00 40.34 H new ATOM 0 HD11 LEU A 115 -2.428 1.540 1.357 1.00 21.42 H new ATOM 0 HD12 LEU A 115 -3.811 1.491 0.239 1.00 21.42 H new ATOM 0 HD13 LEU A 115 -2.727 2.902 0.252 1.00 21.42 H new ATOM 0 HD21 LEU A 115 -2.445 2.959 3.304 1.00 14.52 H new ATOM 0 HD22 LEU A 115 -2.774 4.439 2.371 1.00 14.52 H new ATOM 0 HD23 LEU A 115 -3.863 3.962 3.695 1.00 14.52 H new ATOM 1665 N SER A 116 -3.519 4.209 -1.569 1.00 24.40 N ATOM 1666 CA SER A 116 -3.301 3.800 -2.917 1.00 24.03 C ATOM 1667 C SER A 116 -2.407 2.570 -2.939 1.00 0.15 C ATOM 1668 O SER A 116 -1.337 2.553 -2.332 1.00 14.54 O ATOM 1669 CB SER A 116 -2.648 4.944 -3.652 1.00 34.03 C ATOM 1670 OG SER A 116 -2.492 4.691 -5.025 1.00 52.32 O ATOM 0 H SER A 116 -2.664 4.407 -1.048 1.00 24.40 H new ATOM 0 HA SER A 116 -4.244 3.543 -3.399 1.00 24.03 H new ATOM 0 HB2 SER A 116 -3.247 5.845 -3.519 1.00 34.03 H new ATOM 0 HB3 SER A 116 -1.671 5.143 -3.211 1.00 34.03 H new ATOM 0 HG SER A 116 -2.426 5.541 -5.509 1.00 52.32 H new ATOM 1676 N MET A 117 -2.847 1.547 -3.608 1.00 44.41 N ATOM 1677 CA MET A 117 -2.093 0.329 -3.714 1.00 54.02 C ATOM 1678 C MET A 117 -2.449 -0.361 -5.019 1.00 71.30 C ATOM 1679 O MET A 117 -3.512 -0.124 -5.570 1.00 33.50 O ATOM 1680 CB MET A 117 -2.416 -0.620 -2.528 1.00 63.21 C ATOM 1681 CG MET A 117 -3.871 -1.082 -2.479 1.00 42.21 C ATOM 1682 SD MET A 117 -4.222 -2.264 -1.149 1.00 61.24 S ATOM 1683 CE MET A 117 -3.842 -1.302 0.311 1.00 35.01 C ATOM 0 H MET A 117 -3.741 1.531 -4.098 1.00 44.41 H new ATOM 0 HA MET A 117 -1.030 0.568 -3.690 1.00 54.02 H new ATOM 0 HB2 MET A 117 -1.770 -1.495 -2.590 1.00 63.21 H new ATOM 0 HB3 MET A 117 -2.175 -0.112 -1.594 1.00 63.21 H new ATOM 0 HG2 MET A 117 -4.515 -0.211 -2.357 1.00 42.21 H new ATOM 0 HG3 MET A 117 -4.130 -1.538 -3.435 1.00 42.21 H new ATOM 0 HE1 MET A 117 -3.841 -1.953 1.185 1.00 35.01 H new ATOM 0 HE2 MET A 117 -2.859 -0.844 0.199 1.00 35.01 H new ATOM 0 HE3 MET A 117 -4.593 -0.523 0.439 1.00 35.01 H new ATOM 1693 N PRO A 118 -1.562 -1.163 -5.567 1.00 15.33 N ATOM 1694 CA PRO A 118 -1.896 -2.004 -6.702 1.00 53.11 C ATOM 1695 C PRO A 118 -2.547 -3.280 -6.171 1.00 50.53 C ATOM 1696 O PRO A 118 -2.769 -3.402 -4.958 1.00 33.52 O ATOM 1697 CB PRO A 118 -0.524 -2.320 -7.295 1.00 21.03 C ATOM 1698 CG PRO A 118 0.378 -2.361 -6.104 1.00 31.35 C ATOM 1699 CD PRO A 118 -0.146 -1.310 -5.159 1.00 63.41 C ATOM 0 HA PRO A 118 -2.579 -1.554 -7.423 1.00 53.11 H new ATOM 0 HB2 PRO A 118 -0.528 -3.271 -7.827 1.00 21.03 H new ATOM 0 HB3 PRO A 118 -0.211 -1.557 -8.008 1.00 21.03 H new ATOM 0 HG2 PRO A 118 0.367 -3.347 -5.638 1.00 31.35 H new ATOM 0 HG3 PRO A 118 1.410 -2.154 -6.387 1.00 31.35 H new ATOM 0 HD2 PRO A 118 -0.057 -1.624 -4.119 1.00 63.41 H new ATOM 0 HD3 PRO A 118 0.401 -0.372 -5.257 1.00 63.41 H new ATOM 1707 N ARG A 119 -2.860 -4.219 -7.026 1.00 14.32 N ATOM 1708 CA ARG A 119 -3.380 -5.467 -6.522 1.00 20.43 C ATOM 1709 C ARG A 119 -2.283 -6.294 -5.893 1.00 62.23 C ATOM 1710 O ARG A 119 -1.503 -6.948 -6.583 1.00 54.03 O ATOM 1711 CB ARG A 119 -4.162 -6.279 -7.548 1.00 34.10 C ATOM 1712 CG ARG A 119 -5.476 -5.656 -7.969 1.00 51.21 C ATOM 1713 CD ARG A 119 -6.293 -6.632 -8.795 1.00 41.45 C ATOM 1714 NE ARG A 119 -7.569 -6.051 -9.233 1.00 32.33 N ATOM 1715 CZ ARG A 119 -8.698 -6.746 -9.468 1.00 15.12 C ATOM 1716 NH1 ARG A 119 -8.736 -8.058 -9.253 1.00 42.31 N ATOM 1717 NH2 ARG A 119 -9.777 -6.122 -9.928 1.00 52.11 N ATOM 0 H ARG A 119 -2.769 -4.152 -8.040 1.00 14.32 H new ATOM 0 HA ARG A 119 -4.105 -5.195 -5.755 1.00 20.43 H new ATOM 0 HB2 ARG A 119 -3.541 -6.419 -8.432 1.00 34.10 H new ATOM 0 HB3 ARG A 119 -4.359 -7.269 -7.136 1.00 34.10 H new ATOM 0 HG2 ARG A 119 -6.041 -5.357 -7.086 1.00 51.21 H new ATOM 0 HG3 ARG A 119 -5.286 -4.752 -8.548 1.00 51.21 H new ATOM 0 HD2 ARG A 119 -5.716 -6.939 -9.667 1.00 41.45 H new ATOM 0 HD3 ARG A 119 -6.486 -7.530 -8.208 1.00 41.45 H new ATOM 0 HE ARG A 119 -7.602 -5.041 -9.370 1.00 32.33 H new ATOM 0 HH11 ARG A 119 -7.907 -8.543 -8.908 1.00 42.31 H new ATOM 0 HH12 ARG A 119 -9.594 -8.580 -9.433 1.00 42.31 H new ATOM 0 HH21 ARG A 119 -9.750 -5.117 -10.103 1.00 52.11 H new ATOM 0 HH22 ARG A 119 -10.633 -6.647 -10.106 1.00 52.11 H new ATOM 1729 N ILE A 120 -2.194 -6.201 -4.593 1.00 54.51 N ATOM 1730 CA ILE A 120 -1.249 -6.966 -3.834 1.00 13.13 C ATOM 1731 C ILE A 120 -1.850 -8.329 -3.536 1.00 43.31 C ATOM 1732 O ILE A 120 -3.060 -8.462 -3.406 1.00 40.52 O ATOM 1733 CB ILE A 120 -0.844 -6.242 -2.511 1.00 1.05 C ATOM 1734 CG1 ILE A 120 -2.081 -5.977 -1.623 1.00 64.21 C ATOM 1735 CG2 ILE A 120 -0.112 -4.931 -2.828 1.00 12.02 C ATOM 1736 CD1 ILE A 120 -1.767 -5.315 -0.294 1.00 23.15 C ATOM 0 H ILE A 120 -2.781 -5.586 -4.029 1.00 54.51 H new ATOM 0 HA ILE A 120 -0.338 -7.081 -4.422 1.00 13.13 H new ATOM 0 HB ILE A 120 -0.169 -6.893 -1.956 1.00 1.05 H new ATOM 0 HG12 ILE A 120 -2.780 -5.347 -2.173 1.00 64.21 H new ATOM 0 HG13 ILE A 120 -2.587 -6.924 -1.433 1.00 64.21 H new ATOM 0 HG21 ILE A 120 0.165 -4.435 -1.898 1.00 12.02 H new ATOM 0 HG22 ILE A 120 0.786 -5.147 -3.406 1.00 12.02 H new ATOM 0 HG23 ILE A 120 -0.767 -4.279 -3.405 1.00 12.02 H new ATOM 0 HD11 ILE A 120 -2.691 -5.166 0.265 1.00 23.15 H new ATOM 0 HD12 ILE A 120 -1.094 -5.952 0.280 1.00 23.15 H new ATOM 0 HD13 ILE A 120 -1.290 -4.351 -0.471 1.00 23.15 H new ATOM 1743 N GLY A 121 -1.036 -9.328 -3.467 1.00 73.00 N ATOM 1744 CA GLY A 121 -1.544 -10.634 -3.228 1.00 14.13 C ATOM 1745 C GLY A 121 -1.447 -11.498 -4.454 1.00 25.22 C ATOM 1746 O GLY A 121 -0.777 -12.526 -4.449 1.00 12.14 O ATOM 0 H GLY A 121 -0.023 -9.266 -3.572 1.00 73.00 H new ATOM 0 HA2 GLY A 121 -0.990 -11.097 -2.411 1.00 14.13 H new ATOM 0 HA3 GLY A 121 -2.585 -10.568 -2.910 1.00 14.13 H new ATOM 1750 N CYS A 122 -2.066 -11.059 -5.526 1.00 4.34 N ATOM 1751 CA CYS A 122 -2.141 -11.837 -6.745 1.00 63.31 C ATOM 1752 C CYS A 122 -0.875 -11.718 -7.614 1.00 61.53 C ATOM 1753 O CYS A 122 -0.817 -12.265 -8.729 1.00 42.05 O ATOM 1754 CB CYS A 122 -3.390 -11.445 -7.522 1.00 2.41 C ATOM 1755 SG CYS A 122 -3.508 -9.679 -7.857 1.00 3.43 S ATOM 0 H CYS A 122 -2.532 -10.153 -5.579 1.00 4.34 H new ATOM 0 HA CYS A 122 -2.205 -12.888 -6.464 1.00 63.31 H new ATOM 0 HB2 CYS A 122 -3.404 -11.987 -8.467 1.00 2.41 H new ATOM 0 HB3 CYS A 122 -4.270 -11.759 -6.961 1.00 2.41 H new ATOM 0 HG CYS A 122 -4.598 -9.435 -8.522 1.00 3.43 H new ATOM 1761 N GLY A 123 0.121 -11.017 -7.123 1.00 40.22 N ATOM 1762 CA GLY A 123 1.373 -10.903 -7.830 1.00 72.33 C ATOM 1763 C GLY A 123 2.454 -11.765 -7.203 1.00 33.21 C ATOM 1764 O GLY A 123 2.324 -12.988 -7.146 1.00 71.44 O ATOM 0 H GLY A 123 0.087 -10.517 -6.235 1.00 40.22 H new ATOM 0 HA2 GLY A 123 1.231 -11.197 -8.870 1.00 72.33 H new ATOM 0 HA3 GLY A 123 1.695 -9.862 -7.834 1.00 72.33 H new ATOM 1768 N LEU A 124 3.491 -11.118 -6.692 1.00 42.52 N ATOM 1769 CA LEU A 124 4.647 -11.797 -6.073 1.00 52.30 C ATOM 1770 C LEU A 124 4.256 -12.502 -4.780 1.00 31.52 C ATOM 1771 O LEU A 124 4.918 -13.445 -4.350 1.00 62.53 O ATOM 1772 CB LEU A 124 5.778 -10.796 -5.749 1.00 63.52 C ATOM 1773 CG LEU A 124 6.619 -10.190 -6.892 1.00 33.41 C ATOM 1774 CD1 LEU A 124 5.787 -9.440 -7.912 1.00 1.34 C ATOM 1775 CD2 LEU A 124 7.656 -9.261 -6.301 1.00 33.40 C ATOM 0 H LEU A 124 3.566 -10.101 -6.689 1.00 42.52 H new ATOM 0 HA LEU A 124 4.996 -12.531 -6.800 1.00 52.30 H new ATOM 0 HB2 LEU A 124 5.331 -9.967 -5.200 1.00 63.52 H new ATOM 0 HB3 LEU A 124 6.467 -11.294 -5.068 1.00 63.52 H new ATOM 0 HG LEU A 124 7.091 -11.018 -7.421 1.00 33.41 H new ATOM 0 HD11 LEU A 124 6.438 -9.039 -8.689 1.00 1.34 H new ATOM 0 HD12 LEU A 124 5.063 -10.119 -8.361 1.00 1.34 H new ATOM 0 HD13 LEU A 124 5.261 -8.621 -7.421 1.00 1.34 H new ATOM 0 HD21 LEU A 124 8.255 -8.828 -7.102 1.00 33.40 H new ATOM 0 HD22 LEU A 124 7.158 -8.464 -5.749 1.00 33.40 H new ATOM 0 HD23 LEU A 124 8.303 -9.821 -5.626 1.00 33.40 H new ATOM 1783 N ASP A 125 3.192 -12.025 -4.168 1.00 31.32 N ATOM 1784 CA ASP A 125 2.712 -12.548 -2.895 1.00 52.02 C ATOM 1785 C ASP A 125 2.196 -13.978 -3.078 1.00 11.24 C ATOM 1786 O ASP A 125 2.233 -14.794 -2.158 1.00 13.03 O ATOM 1787 CB ASP A 125 1.583 -11.666 -2.374 1.00 34.12 C ATOM 1788 CG ASP A 125 1.927 -10.187 -2.372 1.00 73.12 C ATOM 1789 OD1 ASP A 125 1.766 -9.543 -3.446 1.00 20.15 O ATOM 1790 OD2 ASP A 125 2.349 -9.662 -1.346 1.00 21.54 O ATOM 0 H ASP A 125 2.629 -11.259 -4.538 1.00 31.32 H new ATOM 0 HA ASP A 125 3.534 -12.552 -2.179 1.00 52.02 H new ATOM 0 HB2 ASP A 125 0.695 -11.824 -2.987 1.00 34.12 H new ATOM 0 HB3 ASP A 125 1.329 -11.974 -1.360 1.00 34.12 H new ATOM 1795 N ARG A 126 1.706 -14.256 -4.292 1.00 65.23 N ATOM 1796 CA ARG A 126 1.213 -15.577 -4.718 1.00 34.21 C ATOM 1797 C ARG A 126 -0.051 -16.010 -3.987 1.00 54.01 C ATOM 1798 O ARG A 126 -0.450 -17.172 -4.039 1.00 61.10 O ATOM 1799 CB ARG A 126 2.289 -16.627 -4.588 1.00 12.33 C ATOM 1800 CG ARG A 126 3.512 -16.234 -5.344 1.00 52.21 C ATOM 1801 CD ARG A 126 4.485 -17.343 -5.458 1.00 14.43 C ATOM 1802 NE ARG A 126 4.883 -17.890 -4.161 1.00 72.12 N ATOM 1803 CZ ARG A 126 6.091 -18.373 -3.858 1.00 43.23 C ATOM 1804 NH1 ARG A 126 7.107 -18.235 -4.702 1.00 30.10 N ATOM 1805 NH2 ARG A 126 6.281 -18.974 -2.698 1.00 33.50 N ATOM 0 H ARG A 126 1.638 -13.552 -5.027 1.00 65.23 H new ATOM 0 HA ARG A 126 0.945 -15.475 -5.770 1.00 34.21 H new ATOM 0 HB2 ARG A 126 2.537 -16.770 -3.536 1.00 12.33 H new ATOM 0 HB3 ARG A 126 1.918 -17.582 -4.961 1.00 12.33 H new ATOM 0 HG2 ARG A 126 3.227 -15.900 -6.342 1.00 52.21 H new ATOM 0 HG3 ARG A 126 3.986 -15.387 -4.848 1.00 52.21 H new ATOM 0 HD2 ARG A 126 4.051 -18.139 -6.064 1.00 14.43 H new ATOM 0 HD3 ARG A 126 5.371 -16.989 -5.984 1.00 14.43 H new ATOM 0 HE ARG A 126 4.177 -17.904 -3.425 1.00 72.12 H new ATOM 0 HH11 ARG A 126 6.969 -17.756 -5.592 1.00 30.10 H new ATOM 0 HH12 ARG A 126 8.025 -18.608 -4.460 1.00 30.10 H new ATOM 0 HH21 ARG A 126 5.508 -19.067 -2.039 1.00 33.50 H new ATOM 0 HH22 ARG A 126 7.201 -19.345 -2.461 1.00 33.50 H new ATOM 1817 N LEU A 127 -0.699 -15.064 -3.371 1.00 53.31 N ATOM 1818 CA LEU A 127 -1.894 -15.301 -2.596 1.00 74.24 C ATOM 1819 C LEU A 127 -3.108 -15.145 -3.490 1.00 50.21 C ATOM 1820 O LEU A 127 -2.991 -14.686 -4.635 1.00 64.20 O ATOM 1821 CB LEU A 127 -1.975 -14.280 -1.449 1.00 64.42 C ATOM 1822 CG LEU A 127 -0.823 -14.286 -0.438 1.00 55.34 C ATOM 1823 CD1 LEU A 127 -0.995 -13.162 0.570 1.00 50.12 C ATOM 1824 CD2 LEU A 127 -0.754 -15.620 0.281 1.00 14.42 C ATOM 0 H LEU A 127 -0.410 -14.086 -3.390 1.00 53.31 H new ATOM 0 HA LEU A 127 -1.866 -16.310 -2.184 1.00 74.24 H new ATOM 0 HB2 LEU A 127 -2.040 -13.283 -1.885 1.00 64.42 H new ATOM 0 HB3 LEU A 127 -2.905 -14.451 -0.906 1.00 64.42 H new ATOM 0 HG LEU A 127 0.109 -14.132 -0.981 1.00 55.34 H new ATOM 0 HD11 LEU A 127 -0.169 -13.181 1.280 1.00 50.12 H new ATOM 0 HD12 LEU A 127 -1.004 -12.204 0.049 1.00 50.12 H new ATOM 0 HD13 LEU A 127 -1.936 -13.293 1.104 1.00 50.12 H new ATOM 0 HD21 LEU A 127 0.070 -15.606 0.995 1.00 14.42 H new ATOM 0 HD22 LEU A 127 -1.690 -15.797 0.810 1.00 14.42 H new ATOM 0 HD23 LEU A 127 -0.592 -16.417 -0.445 1.00 14.42 H new ATOM 1832 N GLN A 128 -4.255 -15.525 -2.997 1.00 62.13 N ATOM 1833 CA GLN A 128 -5.465 -15.342 -3.743 1.00 13.32 C ATOM 1834 C GLN A 128 -6.072 -14.010 -3.372 1.00 35.14 C ATOM 1835 O GLN A 128 -6.376 -13.768 -2.188 1.00 53.04 O ATOM 1836 CB GLN A 128 -6.534 -16.452 -3.526 1.00 71.21 C ATOM 1837 CG GLN A 128 -6.203 -17.888 -3.963 1.00 1.30 C ATOM 1838 CD GLN A 128 -5.262 -18.675 -3.041 1.00 54.15 C ATOM 1839 OE1 GLN A 128 -4.394 -18.141 -2.378 1.00 64.30 O ATOM 1840 NE2 GLN A 128 -5.468 -19.958 -2.982 1.00 51.54 N ATOM 0 H GLN A 128 -4.375 -15.962 -2.083 1.00 62.13 H new ATOM 0 HA GLN A 128 -5.181 -15.390 -4.794 1.00 13.32 H new ATOM 0 HB2 GLN A 128 -6.774 -16.477 -2.463 1.00 71.21 H new ATOM 0 HB3 GLN A 128 -7.439 -16.147 -4.051 1.00 71.21 H new ATOM 0 HG2 GLN A 128 -7.137 -18.443 -4.054 1.00 1.30 H new ATOM 0 HG3 GLN A 128 -5.757 -17.850 -4.957 1.00 1.30 H new ATOM 0 HE21 GLN A 128 -6.202 -20.383 -3.548 1.00 51.54 H new ATOM 0 HE22 GLN A 128 -4.895 -20.539 -2.370 1.00 51.54 H new ATOM 1848 N TRP A 129 -6.261 -13.161 -4.366 1.00 64.50 N ATOM 1849 CA TRP A 129 -6.847 -11.819 -4.182 1.00 51.54 C ATOM 1850 C TRP A 129 -8.227 -11.890 -3.567 1.00 74.23 C ATOM 1851 O TRP A 129 -8.626 -10.993 -2.841 1.00 71.22 O ATOM 1852 CB TRP A 129 -6.836 -11.027 -5.507 1.00 44.44 C ATOM 1853 CG TRP A 129 -7.567 -9.711 -5.457 1.00 72.34 C ATOM 1854 CD1 TRP A 129 -8.800 -9.450 -5.972 1.00 54.22 C ATOM 1855 CD2 TRP A 129 -7.125 -8.494 -4.847 1.00 14.40 C ATOM 1856 NE1 TRP A 129 -9.150 -8.153 -5.732 1.00 2.24 N ATOM 1857 CE2 TRP A 129 -8.142 -7.541 -5.038 1.00 2.14 C ATOM 1858 CE3 TRP A 129 -5.974 -8.116 -4.162 1.00 35.45 C ATOM 1859 CZ2 TRP A 129 -8.041 -6.238 -4.565 1.00 12.41 C ATOM 1860 CZ3 TRP A 129 -5.874 -6.822 -3.692 1.00 14.20 C ATOM 1861 CH2 TRP A 129 -6.900 -5.899 -3.892 1.00 44.04 C ATOM 0 H TRP A 129 -6.016 -13.371 -5.333 1.00 64.50 H new ATOM 0 HA TRP A 129 -6.223 -11.274 -3.474 1.00 51.54 H new ATOM 0 HB2 TRP A 129 -5.801 -10.842 -5.796 1.00 44.44 H new ATOM 0 HB3 TRP A 129 -7.280 -11.645 -6.288 1.00 44.44 H new ATOM 0 HD1 TRP A 129 -9.414 -10.168 -6.496 1.00 54.22 H new ATOM 0 HE1 TRP A 129 -10.022 -7.711 -6.023 1.00 2.24 H new ATOM 0 HE3 TRP A 129 -5.173 -8.823 -4.001 1.00 35.45 H new ATOM 0 HZ2 TRP A 129 -8.833 -5.521 -4.723 1.00 12.41 H new ATOM 0 HZ3 TRP A 129 -4.985 -6.519 -3.160 1.00 14.20 H new ATOM 0 HH2 TRP A 129 -6.791 -4.896 -3.507 1.00 44.04 H new ATOM 1872 N GLU A 130 -8.921 -12.963 -3.836 1.00 41.52 N ATOM 1873 CA GLU A 130 -10.227 -13.226 -3.266 1.00 43.33 C ATOM 1874 C GLU A 130 -10.156 -13.101 -1.714 1.00 72.23 C ATOM 1875 O GLU A 130 -11.019 -12.469 -1.087 1.00 20.30 O ATOM 1876 CB GLU A 130 -10.676 -14.625 -3.764 1.00 21.40 C ATOM 1877 CG GLU A 130 -12.081 -15.109 -3.403 1.00 74.41 C ATOM 1878 CD GLU A 130 -12.247 -15.506 -1.969 1.00 22.24 C ATOM 1879 OE1 GLU A 130 -11.752 -16.590 -1.585 1.00 62.43 O ATOM 1880 OE2 GLU A 130 -12.873 -14.763 -1.212 1.00 71.03 O ATOM 0 H GLU A 130 -8.595 -13.695 -4.467 1.00 41.52 H new ATOM 0 HA GLU A 130 -10.974 -12.499 -3.586 1.00 43.33 H new ATOM 0 HB2 GLU A 130 -10.591 -14.634 -4.851 1.00 21.40 H new ATOM 0 HB3 GLU A 130 -9.964 -15.357 -3.383 1.00 21.40 H new ATOM 0 HG2 GLU A 130 -12.795 -14.319 -3.634 1.00 74.41 H new ATOM 0 HG3 GLU A 130 -12.333 -15.961 -4.035 1.00 74.41 H new ATOM 1887 N ASN A 131 -9.099 -13.662 -1.114 1.00 41.01 N ATOM 1888 CA ASN A 131 -8.902 -13.555 0.343 1.00 22.43 C ATOM 1889 C ASN A 131 -8.397 -12.179 0.700 1.00 2.15 C ATOM 1890 O ASN A 131 -8.901 -11.545 1.613 1.00 51.51 O ATOM 1891 CB ASN A 131 -7.864 -14.541 0.867 1.00 24.54 C ATOM 1892 CG ASN A 131 -8.123 -15.963 0.521 1.00 54.54 C ATOM 1893 OD1 ASN A 131 -7.532 -16.396 -0.548 1.00 61.33 O flip ATOM 1894 ND2 ASN A 131 -8.814 -16.681 1.240 1.00 14.42 N flip ATOM 0 H ASN A 131 -8.375 -14.188 -1.603 1.00 41.01 H new ATOM 0 HA ASN A 131 -9.872 -13.767 0.792 1.00 22.43 H new ATOM 0 HB2 ASN A 131 -6.886 -14.259 0.476 1.00 24.54 H new ATOM 0 HB3 ASN A 131 -7.812 -14.450 1.952 1.00 24.54 H new ATOM 0 HD21 ASN A 131 -9.259 -16.293 2.072 1.00 14.42 H new ATOM 0 HD22 ASN A 131 -8.943 -17.665 1.005 1.00 14.42 H new ATOM 1900 N VAL A 132 -7.379 -11.734 -0.044 1.00 31.31 N ATOM 1901 CA VAL A 132 -6.688 -10.466 0.217 1.00 12.22 C ATOM 1902 C VAL A 132 -7.652 -9.297 0.221 1.00 44.14 C ATOM 1903 O VAL A 132 -7.705 -8.548 1.184 1.00 51.23 O ATOM 1904 CB VAL A 132 -5.550 -10.214 -0.812 1.00 74.32 C ATOM 1905 CG1 VAL A 132 -4.841 -8.892 -0.539 1.00 43.32 C ATOM 1906 CG2 VAL A 132 -4.555 -11.363 -0.789 1.00 53.21 C ATOM 0 H VAL A 132 -7.010 -12.244 -0.846 1.00 31.31 H new ATOM 0 HA VAL A 132 -6.243 -10.548 1.209 1.00 12.22 H new ATOM 0 HB VAL A 132 -5.999 -10.155 -1.803 1.00 74.32 H new ATOM 0 HG11 VAL A 132 -4.051 -8.744 -1.275 1.00 43.32 H new ATOM 0 HG12 VAL A 132 -5.558 -8.074 -0.607 1.00 43.32 H new ATOM 0 HG13 VAL A 132 -4.407 -8.912 0.461 1.00 43.32 H new ATOM 0 HG21 VAL A 132 -3.764 -11.174 -1.514 1.00 53.21 H new ATOM 0 HG22 VAL A 132 -4.121 -11.449 0.207 1.00 53.21 H new ATOM 0 HG23 VAL A 132 -5.066 -12.292 -1.044 1.00 53.21 H new ATOM 1912 N SER A 133 -8.425 -9.178 -0.843 1.00 61.33 N ATOM 1913 CA SER A 133 -9.412 -8.136 -0.976 1.00 51.23 C ATOM 1914 C SER A 133 -10.359 -8.150 0.221 1.00 14.43 C ATOM 1915 O SER A 133 -10.524 -7.136 0.875 1.00 13.03 O ATOM 1916 CB SER A 133 -10.163 -8.307 -2.317 1.00 5.41 C ATOM 1917 OG SER A 133 -11.231 -7.367 -2.502 1.00 74.12 O ATOM 0 H SER A 133 -8.381 -9.810 -1.643 1.00 61.33 H new ATOM 0 HA SER A 133 -8.925 -7.161 -0.987 1.00 51.23 H new ATOM 0 HB2 SER A 133 -9.453 -8.203 -3.137 1.00 5.41 H new ATOM 0 HB3 SER A 133 -10.567 -9.318 -2.371 1.00 5.41 H new ATOM 0 HG SER A 133 -11.921 -7.518 -1.823 1.00 74.12 H new ATOM 1923 N ALA A 134 -10.912 -9.323 0.537 1.00 41.54 N ATOM 1924 CA ALA A 134 -11.841 -9.470 1.661 1.00 42.13 C ATOM 1925 C ALA A 134 -11.179 -9.079 2.987 1.00 4.32 C ATOM 1926 O ALA A 134 -11.811 -8.494 3.856 1.00 22.30 O ATOM 1927 CB ALA A 134 -12.367 -10.893 1.731 1.00 34.40 C ATOM 0 H ALA A 134 -10.732 -10.189 0.028 1.00 41.54 H new ATOM 0 HA ALA A 134 -12.679 -8.793 1.493 1.00 42.13 H new ATOM 0 HB1 ALA A 134 -13.055 -10.986 2.571 1.00 34.40 H new ATOM 0 HB2 ALA A 134 -12.890 -11.134 0.805 1.00 34.40 H new ATOM 0 HB3 ALA A 134 -11.534 -11.583 1.867 1.00 34.40 H new ATOM 1933 N MET A 135 -9.904 -9.397 3.121 1.00 34.12 N ATOM 1934 CA MET A 135 -9.151 -9.056 4.318 1.00 40.02 C ATOM 1935 C MET A 135 -8.977 -7.539 4.413 1.00 13.51 C ATOM 1936 O MET A 135 -9.144 -6.955 5.466 1.00 53.12 O ATOM 1937 CB MET A 135 -7.777 -9.729 4.315 1.00 64.30 C ATOM 1938 CG MET A 135 -6.937 -9.423 5.550 1.00 74.30 C ATOM 1939 SD MET A 135 -5.248 -10.053 5.435 1.00 24.45 S ATOM 1940 CE MET A 135 -5.519 -11.804 5.241 1.00 13.50 C ATOM 0 H MET A 135 -9.364 -9.894 2.412 1.00 34.12 H new ATOM 0 HA MET A 135 -9.711 -9.415 5.182 1.00 40.02 H new ATOM 0 HB2 MET A 135 -7.912 -10.808 4.237 1.00 64.30 H new ATOM 0 HB3 MET A 135 -7.230 -9.412 3.427 1.00 64.30 H new ATOM 0 HG2 MET A 135 -6.906 -8.344 5.702 1.00 74.30 H new ATOM 0 HG3 MET A 135 -7.420 -9.855 6.426 1.00 74.30 H new ATOM 0 HE1 MET A 135 -4.559 -12.314 5.158 1.00 13.50 H new ATOM 0 HE2 MET A 135 -6.060 -12.187 6.107 1.00 13.50 H new ATOM 0 HE3 MET A 135 -6.104 -11.984 4.339 1.00 13.50 H new ATOM 1950 N ILE A 136 -8.646 -6.917 3.306 1.00 13.21 N ATOM 1951 CA ILE A 136 -8.496 -5.480 3.256 1.00 71.12 C ATOM 1952 C ILE A 136 -9.845 -4.828 3.582 1.00 33.22 C ATOM 1953 O ILE A 136 -9.934 -3.891 4.388 1.00 3.04 O ATOM 1954 CB ILE A 136 -8.016 -5.031 1.848 1.00 72.10 C ATOM 1955 CG1 ILE A 136 -6.654 -5.661 1.517 1.00 13.03 C ATOM 1956 CG2 ILE A 136 -7.931 -3.519 1.770 1.00 70.15 C ATOM 1957 CD1 ILE A 136 -6.156 -5.373 0.112 1.00 35.24 C ATOM 0 H ILE A 136 -8.474 -7.389 2.418 1.00 13.21 H new ATOM 0 HA ILE A 136 -7.748 -5.170 3.986 1.00 71.12 H new ATOM 0 HB ILE A 136 -8.744 -5.374 1.113 1.00 72.10 H new ATOM 0 HG12 ILE A 136 -5.916 -5.299 2.233 1.00 13.03 H new ATOM 0 HG13 ILE A 136 -6.724 -6.740 1.651 1.00 13.03 H new ATOM 0 HG21 ILE A 136 -7.593 -3.224 0.776 1.00 70.15 H new ATOM 0 HG22 ILE A 136 -8.914 -3.089 1.961 1.00 70.15 H new ATOM 0 HG23 ILE A 136 -7.224 -3.155 2.516 1.00 70.15 H new ATOM 0 HD11 ILE A 136 -5.190 -5.855 -0.037 1.00 35.24 H new ATOM 0 HD12 ILE A 136 -6.871 -5.761 -0.614 1.00 35.24 H new ATOM 0 HD13 ILE A 136 -6.050 -4.297 -0.023 1.00 35.24 H new ATOM 1964 N GLU A 137 -10.885 -5.371 2.991 1.00 11.45 N ATOM 1965 CA GLU A 137 -12.230 -4.894 3.189 1.00 55.54 C ATOM 1966 C GLU A 137 -12.691 -5.037 4.650 1.00 31.45 C ATOM 1967 O GLU A 137 -13.389 -4.164 5.164 1.00 35.54 O ATOM 1968 CB GLU A 137 -13.197 -5.595 2.223 1.00 41.50 C ATOM 1969 CG GLU A 137 -12.894 -5.308 0.758 1.00 30.13 C ATOM 1970 CD GLU A 137 -13.789 -6.049 -0.205 1.00 50.22 C ATOM 1971 OE1 GLU A 137 -14.952 -5.628 -0.392 1.00 74.43 O ATOM 1972 OE2 GLU A 137 -13.334 -7.022 -0.835 1.00 34.41 O ATOM 0 H GLU A 137 -10.818 -6.164 2.353 1.00 11.45 H new ATOM 0 HA GLU A 137 -12.235 -3.827 2.967 1.00 55.54 H new ATOM 0 HB2 GLU A 137 -13.153 -6.671 2.392 1.00 41.50 H new ATOM 0 HB3 GLU A 137 -14.216 -5.278 2.446 1.00 41.50 H new ATOM 0 HG2 GLU A 137 -12.991 -4.237 0.579 1.00 30.13 H new ATOM 0 HG3 GLU A 137 -11.857 -5.572 0.552 1.00 30.13 H new ATOM 1979 N GLU A 138 -12.285 -6.115 5.317 1.00 14.52 N ATOM 1980 CA GLU A 138 -12.686 -6.343 6.705 1.00 60.51 C ATOM 1981 C GLU A 138 -11.880 -5.466 7.677 1.00 35.42 C ATOM 1982 O GLU A 138 -12.384 -5.047 8.714 1.00 43.31 O ATOM 1983 CB GLU A 138 -12.545 -7.818 7.100 1.00 34.24 C ATOM 1984 CG GLU A 138 -11.128 -8.313 7.216 1.00 11.13 C ATOM 1985 CD GLU A 138 -11.051 -9.735 7.651 1.00 4.35 C ATOM 1986 OE1 GLU A 138 -11.370 -10.628 6.854 1.00 25.21 O ATOM 1987 OE2 GLU A 138 -10.661 -9.992 8.804 1.00 51.42 O ATOM 0 H GLU A 138 -11.684 -6.839 4.924 1.00 14.52 H new ATOM 0 HA GLU A 138 -13.738 -6.065 6.775 1.00 60.51 H new ATOM 0 HB2 GLU A 138 -13.047 -7.972 8.055 1.00 34.24 H new ATOM 0 HB3 GLU A 138 -13.068 -8.428 6.363 1.00 34.24 H new ATOM 0 HG2 GLU A 138 -10.629 -8.204 6.253 1.00 11.13 H new ATOM 0 HG3 GLU A 138 -10.587 -7.690 7.928 1.00 11.13 H new ATOM 1994 N VAL A 139 -10.634 -5.215 7.348 1.00 53.24 N ATOM 1995 CA VAL A 139 -9.754 -4.416 8.197 1.00 71.43 C ATOM 1996 C VAL A 139 -10.097 -2.922 8.131 1.00 21.33 C ATOM 1997 O VAL A 139 -10.081 -2.213 9.147 1.00 33.34 O ATOM 1998 CB VAL A 139 -8.241 -4.650 7.842 1.00 33.32 C ATOM 1999 CG1 VAL A 139 -7.332 -3.726 8.631 1.00 25.21 C ATOM 2000 CG2 VAL A 139 -7.848 -6.096 8.111 1.00 34.14 C ATOM 0 H VAL A 139 -10.195 -5.553 6.491 1.00 53.24 H new ATOM 0 HA VAL A 139 -9.919 -4.751 9.221 1.00 71.43 H new ATOM 0 HB VAL A 139 -8.120 -4.429 6.781 1.00 33.32 H new ATOM 0 HG11 VAL A 139 -6.294 -3.917 8.359 1.00 25.21 H new ATOM 0 HG12 VAL A 139 -7.582 -2.689 8.404 1.00 25.21 H new ATOM 0 HG13 VAL A 139 -7.466 -3.907 9.697 1.00 25.21 H new ATOM 0 HG21 VAL A 139 -6.797 -6.240 7.860 1.00 34.14 H new ATOM 0 HG22 VAL A 139 -8.004 -6.325 9.165 1.00 34.14 H new ATOM 0 HG23 VAL A 139 -8.461 -6.759 7.501 1.00 34.14 H new ATOM 2006 N PHE A 140 -10.419 -2.446 6.962 1.00 52.11 N ATOM 2007 CA PHE A 140 -10.663 -1.029 6.790 1.00 0.02 C ATOM 2008 C PHE A 140 -12.140 -0.632 6.843 1.00 41.34 C ATOM 2009 O PHE A 140 -12.462 0.540 6.655 1.00 21.53 O ATOM 2010 CB PHE A 140 -9.984 -0.510 5.522 1.00 20.01 C ATOM 2011 CG PHE A 140 -8.480 -0.614 5.571 1.00 14.35 C ATOM 2012 CD1 PHE A 140 -7.834 -1.776 5.176 1.00 71.30 C ATOM 2013 CD2 PHE A 140 -7.714 0.451 6.013 1.00 45.41 C ATOM 2014 CE1 PHE A 140 -6.462 -1.876 5.220 1.00 72.21 C ATOM 2015 CE2 PHE A 140 -6.335 0.356 6.057 1.00 44.12 C ATOM 2016 CZ PHE A 140 -5.711 -0.810 5.660 1.00 44.13 C ATOM 0 H PHE A 140 -10.520 -3.007 6.116 1.00 52.11 H new ATOM 0 HA PHE A 140 -10.212 -0.543 7.655 1.00 0.02 H new ATOM 0 HB2 PHE A 140 -10.353 -1.071 4.664 1.00 20.01 H new ATOM 0 HB3 PHE A 140 -10.265 0.532 5.367 1.00 20.01 H new ATOM 0 HD1 PHE A 140 -8.417 -2.616 4.828 1.00 71.30 H new ATOM 0 HD2 PHE A 140 -8.198 1.364 6.326 1.00 45.41 H new ATOM 0 HE1 PHE A 140 -5.976 -2.789 4.910 1.00 72.21 H new ATOM 0 HE2 PHE A 140 -5.746 1.193 6.402 1.00 44.12 H new ATOM 0 HZ PHE A 140 -4.634 -0.885 5.695 1.00 44.13 H new ATOM 2026 N GLU A 141 -13.032 -1.569 7.146 1.00 70.22 N ATOM 2027 CA GLU A 141 -14.473 -1.252 7.194 1.00 73.14 C ATOM 2028 C GLU A 141 -14.868 -0.440 8.431 1.00 65.10 C ATOM 2029 O GLU A 141 -15.953 0.154 8.479 1.00 22.12 O ATOM 2030 CB GLU A 141 -15.355 -2.489 7.059 1.00 63.03 C ATOM 2031 CG GLU A 141 -15.096 -3.574 8.073 1.00 31.04 C ATOM 2032 CD GLU A 141 -16.094 -4.696 7.978 1.00 23.02 C ATOM 2033 OE1 GLU A 141 -16.063 -5.471 6.995 1.00 33.13 O ATOM 2034 OE2 GLU A 141 -16.953 -4.803 8.879 1.00 54.11 O ATOM 0 H GLU A 141 -12.799 -2.539 7.360 1.00 70.22 H new ATOM 0 HA GLU A 141 -14.651 -0.623 6.322 1.00 73.14 H new ATOM 0 HB2 GLU A 141 -16.398 -2.182 7.137 1.00 63.03 H new ATOM 0 HB3 GLU A 141 -15.219 -2.906 6.061 1.00 63.03 H new ATOM 0 HG2 GLU A 141 -14.091 -3.971 7.928 1.00 31.04 H new ATOM 0 HG3 GLU A 141 -15.128 -3.146 9.075 1.00 31.04 H new ATOM 2041 N ALA A 142 -14.005 -0.419 9.417 1.00 21.30 N ATOM 2042 CA ALA A 142 -14.238 0.370 10.615 1.00 3.33 C ATOM 2043 C ALA A 142 -13.682 1.773 10.435 1.00 35.44 C ATOM 2044 O ALA A 142 -13.722 2.588 11.344 1.00 31.34 O ATOM 2045 CB ALA A 142 -13.614 -0.295 11.833 1.00 33.40 C ATOM 0 H ALA A 142 -13.128 -0.940 9.419 1.00 21.30 H new ATOM 0 HA ALA A 142 -15.314 0.435 10.778 1.00 3.33 H new ATOM 0 HB1 ALA A 142 -13.802 0.315 12.717 1.00 33.40 H new ATOM 0 HB2 ALA A 142 -14.053 -1.283 11.973 1.00 33.40 H new ATOM 0 HB3 ALA A 142 -12.539 -0.394 11.683 1.00 33.40 H new ATOM 2051 N THR A 143 -13.169 2.044 9.256 1.00 40.34 N ATOM 2052 CA THR A 143 -12.600 3.325 8.956 1.00 71.21 C ATOM 2053 C THR A 143 -13.201 3.876 7.683 1.00 73.35 C ATOM 2054 O THR A 143 -13.834 3.142 6.921 1.00 42.42 O ATOM 2055 CB THR A 143 -11.064 3.247 8.805 1.00 72.11 C ATOM 2056 OG1 THR A 143 -10.707 2.266 7.819 1.00 50.14 O ATOM 2057 CG2 THR A 143 -10.393 2.905 10.118 1.00 33.24 C ATOM 0 H THR A 143 -13.138 1.379 8.483 1.00 40.34 H new ATOM 0 HA THR A 143 -12.828 3.988 9.791 1.00 71.21 H new ATOM 0 HB THR A 143 -10.718 4.230 8.486 1.00 72.11 H new ATOM 0 HG1 THR A 143 -11.519 1.842 7.471 1.00 50.14 H new ATOM 0 HG21 THR A 143 -9.314 2.859 9.974 1.00 33.24 H new ATOM 0 HG22 THR A 143 -10.628 3.671 10.857 1.00 33.24 H new ATOM 0 HG23 THR A 143 -10.754 1.939 10.470 1.00 33.24 H new ATOM 2063 N ASP A 144 -13.001 5.145 7.443 1.00 34.13 N ATOM 2064 CA ASP A 144 -13.519 5.785 6.242 1.00 64.40 C ATOM 2065 C ASP A 144 -12.418 5.882 5.212 1.00 32.45 C ATOM 2066 O ASP A 144 -12.539 6.581 4.211 1.00 41.22 O ATOM 2067 CB ASP A 144 -14.087 7.181 6.557 1.00 45.34 C ATOM 2068 CG ASP A 144 -15.247 7.145 7.529 1.00 53.25 C ATOM 2069 OD1 ASP A 144 -16.402 6.954 7.097 1.00 40.34 O ATOM 2070 OD2 ASP A 144 -15.018 7.303 8.764 1.00 21.44 O ATOM 0 H ASP A 144 -12.481 5.767 8.062 1.00 34.13 H new ATOM 0 HA ASP A 144 -14.334 5.180 5.846 1.00 64.40 H new ATOM 0 HB2 ASP A 144 -13.294 7.805 6.970 1.00 45.34 H new ATOM 0 HB3 ASP A 144 -14.413 7.652 5.629 1.00 45.34 H new ATOM 2075 N ILE A 145 -11.337 5.162 5.472 1.00 5.24 N ATOM 2076 CA ILE A 145 -10.191 5.118 4.590 1.00 22.04 C ATOM 2077 C ILE A 145 -10.592 4.488 3.265 1.00 11.13 C ATOM 2078 O ILE A 145 -11.045 3.341 3.215 1.00 64.14 O ATOM 2079 CB ILE A 145 -9.025 4.320 5.235 1.00 70.43 C ATOM 2080 CG1 ILE A 145 -8.608 4.992 6.555 1.00 63.11 C ATOM 2081 CG2 ILE A 145 -7.831 4.222 4.279 1.00 73.14 C ATOM 2082 CD1 ILE A 145 -7.563 4.230 7.337 1.00 60.41 C ATOM 0 H ILE A 145 -11.234 4.589 6.309 1.00 5.24 H new ATOM 0 HA ILE A 145 -9.845 6.137 4.416 1.00 22.04 H new ATOM 0 HB ILE A 145 -9.367 3.306 5.442 1.00 70.43 H new ATOM 0 HG12 ILE A 145 -8.226 5.989 6.337 1.00 63.11 H new ATOM 0 HG13 ILE A 145 -9.492 5.119 7.180 1.00 63.11 H new ATOM 0 HG21 ILE A 145 -7.029 3.658 4.755 1.00 73.14 H new ATOM 0 HG22 ILE A 145 -8.138 3.714 3.365 1.00 73.14 H new ATOM 0 HG23 ILE A 145 -7.476 5.224 4.036 1.00 73.14 H new ATOM 0 HD11 ILE A 145 -7.326 4.772 8.252 1.00 60.41 H new ATOM 0 HD12 ILE A 145 -7.947 3.242 7.590 1.00 60.41 H new ATOM 0 HD13 ILE A 145 -6.661 4.126 6.734 1.00 60.41 H new ATOM 2089 N LYS A 146 -10.425 5.238 2.219 1.00 43.02 N ATOM 2090 CA LYS A 146 -10.811 4.829 0.905 1.00 20.25 C ATOM 2091 C LYS A 146 -9.592 4.273 0.203 1.00 31.25 C ATOM 2092 O LYS A 146 -8.611 4.994 -0.039 1.00 50.30 O ATOM 2093 CB LYS A 146 -11.443 6.050 0.176 1.00 51.23 C ATOM 2094 CG LYS A 146 -12.039 5.814 -1.233 1.00 3.43 C ATOM 2095 CD LYS A 146 -10.994 5.755 -2.350 1.00 2.10 C ATOM 2096 CE LYS A 146 -10.220 7.068 -2.434 1.00 72.45 C ATOM 2097 NZ LYS A 146 -9.331 7.134 -3.610 1.00 4.22 N ATOM 0 H LYS A 146 -10.009 6.169 2.256 1.00 43.02 H new ATOM 0 HA LYS A 146 -11.563 4.040 0.920 1.00 20.25 H new ATOM 0 HB2 LYS A 146 -12.233 6.449 0.812 1.00 51.23 H new ATOM 0 HB3 LYS A 146 -10.680 6.823 0.093 1.00 51.23 H new ATOM 0 HG2 LYS A 146 -12.602 4.880 -1.226 1.00 3.43 H new ATOM 0 HG3 LYS A 146 -12.748 6.612 -1.455 1.00 3.43 H new ATOM 0 HD2 LYS A 146 -10.304 4.931 -2.166 1.00 2.10 H new ATOM 0 HD3 LYS A 146 -11.484 5.554 -3.303 1.00 2.10 H new ATOM 0 HE2 LYS A 146 -10.925 7.898 -2.470 1.00 72.45 H new ATOM 0 HE3 LYS A 146 -9.627 7.193 -1.528 1.00 72.45 H new ATOM 0 HZ1 LYS A 146 -8.580 7.833 -3.439 1.00 4.22 H new ATOM 0 HZ2 LYS A 146 -8.904 6.200 -3.775 1.00 4.22 H new ATOM 0 HZ3 LYS A 146 -9.882 7.416 -4.446 1.00 4.22 H new ATOM 2111 N ILE A 147 -9.636 3.002 -0.104 1.00 61.31 N ATOM 2112 CA ILE A 147 -8.511 2.339 -0.695 1.00 42.23 C ATOM 2113 C ILE A 147 -8.672 2.197 -2.166 1.00 41.32 C ATOM 2114 O ILE A 147 -9.648 1.661 -2.656 1.00 21.43 O ATOM 2115 CB ILE A 147 -8.216 0.977 -0.035 1.00 40.15 C ATOM 2116 CG1 ILE A 147 -7.857 1.221 1.417 1.00 71.54 C ATOM 2117 CG2 ILE A 147 -7.085 0.240 -0.761 1.00 70.32 C ATOM 2118 CD1 ILE A 147 -7.464 -0.004 2.182 1.00 32.41 C ATOM 0 H ILE A 147 -10.448 2.404 0.049 1.00 61.31 H new ATOM 0 HA ILE A 147 -7.646 2.976 -0.511 1.00 42.23 H new ATOM 0 HB ILE A 147 -9.099 0.342 -0.099 1.00 40.15 H new ATOM 0 HG12 ILE A 147 -7.036 1.937 1.458 1.00 71.54 H new ATOM 0 HG13 ILE A 147 -8.709 1.685 1.914 1.00 71.54 H new ATOM 0 HG21 ILE A 147 -6.901 -0.716 -0.272 1.00 70.32 H new ATOM 0 HG22 ILE A 147 -7.370 0.068 -1.799 1.00 70.32 H new ATOM 0 HG23 ILE A 147 -6.178 0.844 -0.730 1.00 70.32 H new ATOM 0 HD11 ILE A 147 -7.225 0.270 3.210 1.00 32.41 H new ATOM 0 HD12 ILE A 147 -8.290 -0.716 2.179 1.00 32.41 H new ATOM 0 HD13 ILE A 147 -6.591 -0.460 1.716 1.00 32.41 H new ATOM 2125 N THR A 148 -7.713 2.676 -2.840 1.00 20.20 N ATOM 2126 CA THR A 148 -7.695 2.698 -4.259 1.00 52.24 C ATOM 2127 C THR A 148 -6.751 1.609 -4.749 1.00 12.20 C ATOM 2128 O THR A 148 -5.564 1.641 -4.422 1.00 34.51 O ATOM 2129 CB THR A 148 -7.125 4.047 -4.716 1.00 53.20 C ATOM 2130 OG1 THR A 148 -7.655 5.086 -3.879 1.00 2.32 O ATOM 2131 CG2 THR A 148 -7.522 4.322 -6.151 1.00 52.45 C ATOM 0 H THR A 148 -6.880 3.083 -2.414 1.00 20.20 H new ATOM 0 HA THR A 148 -8.701 2.545 -4.650 1.00 52.24 H new ATOM 0 HB THR A 148 -6.038 4.019 -4.644 1.00 53.20 H new ATOM 0 HG1 THR A 148 -7.135 5.135 -3.050 1.00 2.32 H new ATOM 0 HG21 THR A 148 -7.112 5.282 -6.464 1.00 52.45 H new ATOM 0 HG22 THR A 148 -7.132 3.533 -6.794 1.00 52.45 H new ATOM 0 HG23 THR A 148 -8.609 4.349 -6.229 1.00 52.45 H new ATOM 2137 N VAL A 149 -7.256 0.643 -5.487 1.00 20.13 N ATOM 2138 CA VAL A 149 -6.381 -0.347 -6.039 1.00 52.11 C ATOM 2139 C VAL A 149 -6.244 -0.117 -7.516 1.00 5.32 C ATOM 2140 O VAL A 149 -7.243 0.008 -8.253 1.00 54.03 O ATOM 2141 CB VAL A 149 -6.778 -1.840 -5.745 1.00 55.52 C ATOM 2142 CG1 VAL A 149 -6.994 -2.092 -4.272 1.00 62.35 C ATOM 2143 CG2 VAL A 149 -7.944 -2.333 -6.585 1.00 21.05 C ATOM 0 H VAL A 149 -8.245 0.530 -5.710 1.00 20.13 H new ATOM 0 HA VAL A 149 -5.426 -0.217 -5.530 1.00 52.11 H new ATOM 0 HB VAL A 149 -5.920 -2.437 -6.052 1.00 55.52 H new ATOM 0 HG11 VAL A 149 -7.266 -3.136 -4.118 1.00 62.35 H new ATOM 0 HG12 VAL A 149 -6.076 -1.872 -3.727 1.00 62.35 H new ATOM 0 HG13 VAL A 149 -7.796 -1.450 -3.907 1.00 62.35 H new ATOM 0 HG21 VAL A 149 -8.163 -3.370 -6.330 1.00 21.05 H new ATOM 0 HG22 VAL A 149 -8.821 -1.717 -6.387 1.00 21.05 H new ATOM 0 HG23 VAL A 149 -7.685 -2.266 -7.642 1.00 21.05 H new ATOM 2149 N TYR A 150 -5.050 0.002 -7.949 1.00 70.35 N ATOM 2150 CA TYR A 150 -4.810 0.150 -9.335 1.00 60.31 C ATOM 2151 C TYR A 150 -4.668 -1.182 -9.972 1.00 1.33 C ATOM 2152 O TYR A 150 -3.845 -2.013 -9.567 1.00 40.25 O ATOM 2153 CB TYR A 150 -3.644 1.074 -9.623 1.00 53.44 C ATOM 2154 CG TYR A 150 -3.966 2.511 -9.297 1.00 12.11 C ATOM 2155 CD1 TYR A 150 -3.856 2.998 -8.006 1.00 75.34 C ATOM 2156 CD2 TYR A 150 -4.400 3.375 -10.286 1.00 64.41 C ATOM 2157 CE1 TYR A 150 -4.164 4.302 -7.712 1.00 64.12 C ATOM 2158 CE2 TYR A 150 -4.710 4.684 -10.002 1.00 53.34 C ATOM 2159 CZ TYR A 150 -4.591 5.143 -8.713 1.00 5.52 C ATOM 2160 OH TYR A 150 -4.892 6.448 -8.421 1.00 52.33 O ATOM 0 H TYR A 150 -4.216 0.000 -7.362 1.00 70.35 H new ATOM 0 HA TYR A 150 -5.675 0.639 -9.783 1.00 60.31 H new ATOM 0 HB2 TYR A 150 -2.778 0.756 -9.042 1.00 53.44 H new ATOM 0 HB3 TYR A 150 -3.370 0.994 -10.675 1.00 53.44 H new ATOM 0 HD1 TYR A 150 -3.522 2.340 -7.217 1.00 75.34 H new ATOM 0 HD2 TYR A 150 -4.497 3.015 -11.300 1.00 64.41 H new ATOM 0 HE1 TYR A 150 -4.072 4.666 -6.700 1.00 64.12 H new ATOM 0 HE2 TYR A 150 -5.045 5.346 -10.787 1.00 53.34 H new ATOM 0 HH TYR A 150 -5.177 6.909 -9.238 1.00 52.33 H new ATOM 2170 N THR A 151 -5.510 -1.406 -10.914 1.00 24.25 N ATOM 2171 CA THR A 151 -5.550 -2.611 -11.628 1.00 25.34 C ATOM 2172 C THR A 151 -5.367 -2.279 -13.087 1.00 24.35 C ATOM 2173 O THR A 151 -6.186 -1.594 -13.676 1.00 22.32 O ATOM 2174 CB THR A 151 -6.925 -3.254 -11.410 1.00 61.23 C ATOM 2175 OG1 THR A 151 -7.160 -3.356 -9.987 1.00 73.54 O ATOM 2176 CG2 THR A 151 -6.983 -4.632 -12.013 1.00 2.40 C ATOM 0 H THR A 151 -6.210 -0.727 -11.212 1.00 24.25 H new ATOM 0 HA THR A 151 -4.772 -3.300 -11.299 1.00 25.34 H new ATOM 0 HB THR A 151 -7.683 -2.636 -11.891 1.00 61.23 H new ATOM 0 HG1 THR A 151 -8.120 -3.278 -9.808 1.00 73.54 H new ATOM 0 HG21 THR A 151 -7.970 -5.063 -11.843 1.00 2.40 H new ATOM 0 HG22 THR A 151 -6.795 -4.568 -13.085 1.00 2.40 H new ATOM 0 HG23 THR A 151 -6.226 -5.264 -11.549 1.00 2.40 H new ATOM 2182 N LEU A 152 -4.293 -2.719 -13.638 1.00 62.23 N ATOM 2183 CA LEU A 152 -3.992 -2.460 -15.014 1.00 21.03 C ATOM 2184 C LEU A 152 -4.376 -3.681 -15.836 1.00 50.42 C ATOM 2185 O LEU A 152 -3.511 -4.581 -16.015 1.00 38.51 O ATOM 2186 CB LEU A 152 -2.480 -2.159 -15.202 1.00 55.14 C ATOM 2187 CG LEU A 152 -1.887 -0.900 -14.559 1.00 51.01 C ATOM 2188 CD1 LEU A 152 -2.123 -0.876 -13.079 1.00 34.22 C ATOM 2189 CD2 LEU A 152 -0.400 -0.862 -14.828 1.00 2.54 C ATOM 2190 OXT LEU A 152 -5.526 -3.776 -16.280 1.00 38.51 O ATOM 0 H LEU A 152 -3.589 -3.273 -13.150 1.00 62.23 H new ATOM 0 HA LEU A 152 -4.556 -1.588 -15.345 1.00 21.03 H new ATOM 0 HB2 LEU A 152 -1.924 -3.016 -14.821 1.00 55.14 H new ATOM 0 HB3 LEU A 152 -2.286 -2.104 -16.273 1.00 55.14 H new ATOM 0 HG LEU A 152 -2.377 -0.029 -14.994 1.00 51.01 H new ATOM 0 HD11 LEU A 152 -1.689 0.030 -12.656 1.00 34.22 H new ATOM 0 HD12 LEU A 152 -3.195 -0.892 -12.881 1.00 34.22 H new ATOM 0 HD13 LEU A 152 -1.657 -1.749 -12.622 1.00 34.22 H new ATOM 0 HD21 LEU A 152 0.029 0.031 -14.374 1.00 2.54 H new ATOM 0 HD22 LEU A 152 0.070 -1.748 -14.401 1.00 2.54 H new ATOM 0 HD23 LEU A 152 -0.225 -0.842 -15.904 1.00 2.54 H new