USER MOD reduce.3.24.130724 H: found=0, std=0, add=1127, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1128 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 81 TYR OH : rot 180:sc= 0.0299 USER MOD Set 1.2: A 129 GLN :FLIP amide:sc= 0.0846 F(o=-0.8,f=0.11) USER MOD Set 2.1: A 63 LYS NZ :NH3+ 175:sc= 1.05 (180deg=-0.196) USER MOD Set 2.2: A 125 TYR OH : rot -130:sc= 0.742 USER MOD Set 3.1: A 37 THR OG1 : rot -86:sc= 0.991 USER MOD Set 3.2: A 38 HIS :FLIP no HD1:sc= 0 F(o=-0.65,f=0.99) USER MOD Single : A 10 SER OG : rot 30:sc= 0.76 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 85:sc= 0.99 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -39:sc= 1.17 USER MOD Single : A 42 LYS NZ :NH3+ -146:sc= 1.32 (180deg=-0.41) USER MOD Single : A 45 ASN : amide:sc= -0.825 X(o=-0.82,f=-0.45) USER MOD Single : A 46 LYS NZ :NH3+ 161:sc= 0.953 (180deg=0.309) USER MOD Single : A 49 LYS NZ :NH3+ 167:sc= 1.28 (180deg=0.722) USER MOD Single : A 50 SER OG : rot -52:sc= 0.492 USER MOD Single : A 55 GLN :FLIP amide:sc= -0.804 F(o=-3.4,f=-0.8) USER MOD Single : A 58 HIS : no HD1:sc= -4.54! C(o=-4.5!,f=-4!) USER MOD Single : A 67 SER OG : rot 150:sc= 0.801 USER MOD Single : A 69 SER OG : rot 180:sc= -0.632 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.134 X(o=-0.13,f=0.019) USER MOD Single : A 92 ASN : amide:sc= -0.754 K(o=-0.75,f=-5.7!) USER MOD Single : A 97 SER OG : rot 56:sc= 0.716 USER MOD Single : A 99 GLN : amide:sc= 0.576 K(o=0.58,f=-0.078) USER MOD Single : A 104 THR OG1 : rot 45:sc= 0.127 USER MOD Single : A 113 GLN : amide:sc= -0.106 K(o=-0.11,f=-2.6) USER MOD Single : A 117 LYS NZ :NH3+ -164:sc= -0.0565 (180deg=-0.335) USER MOD Single : A 123 MET CE :methyl 159:sc= -0.162 (180deg=-0.799) USER MOD Single : A 126 LYS NZ :NH3+ 141:sc= 1.2 (180deg=0.219) USER MOD Single : A 128 MET CE :methyl -114:sc= -1.53 (180deg=-2.2!) USER MOD Single : A 130 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0524) USER MOD Single : A 134 GLN :FLIP amide:sc= -0.171 F(o=-4.6!,f=-0.17) USER MOD Single : A 135 GLN : amide:sc= 0.316 K(o=0.32,f=-0.54) USER MOD Single : A 139 GLN : amide:sc= -0.193 K(o=-0.19,f=-2.4!) USER MOD Single : A 141 SER OG : rot -79:sc= 0.673 USER MOD Single : A 144 THR OG1 : rot -33:sc= 0.371 USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 9 -5.403 19.256 -2.571 1.00 65.44 N ATOM 137 CA VAL A 9 -5.985 17.900 -2.615 1.00 55.14 C ATOM 138 C VAL A 9 -6.049 17.257 -1.215 1.00 60.33 C ATOM 139 O VAL A 9 -7.075 16.695 -0.824 1.00 1.25 O ATOM 140 CB VAL A 9 -5.195 16.967 -3.582 1.00 71.22 C ATOM 141 CG1 VAL A 9 -3.723 16.857 -3.179 1.00 25.35 C ATOM 142 CG2 VAL A 9 -5.846 15.584 -3.659 1.00 54.53 C ATOM 0 HA VAL A 9 -7.002 18.015 -2.990 1.00 55.14 H new ATOM 0 HB VAL A 9 -5.231 17.416 -4.575 1.00 71.22 H new ATOM 0 HG11 VAL A 9 -3.203 16.199 -3.875 1.00 25.35 H new ATOM 0 HG12 VAL A 9 -3.264 17.846 -3.203 1.00 25.35 H new ATOM 0 HG13 VAL A 9 -3.651 16.448 -2.171 1.00 25.35 H new ATOM 0 HG21 VAL A 9 -5.277 14.951 -4.340 1.00 54.53 H new ATOM 0 HG22 VAL A 9 -5.858 15.132 -2.667 1.00 54.53 H new ATOM 0 HG23 VAL A 9 -6.868 15.683 -4.025 1.00 54.53 H new ATOM 152 N SER A 10 -4.954 17.356 -0.469 1.00 54.24 N ATOM 153 CA SER A 10 -4.852 16.780 0.880 1.00 72.33 C ATOM 154 C SER A 10 -3.644 17.372 1.613 1.00 61.22 C ATOM 155 O SER A 10 -2.499 17.000 1.347 1.00 32.33 O ATOM 156 CB SER A 10 -4.722 15.248 0.816 1.00 11.41 C ATOM 157 OG SER A 10 -3.559 14.852 0.097 1.00 74.02 O ATOM 0 H SER A 10 -4.108 17.837 -0.777 1.00 54.24 H new ATOM 0 HA SER A 10 -5.763 17.027 1.425 1.00 72.33 H new ATOM 0 HB2 SER A 10 -4.681 14.843 1.827 1.00 11.41 H new ATOM 0 HB3 SER A 10 -5.607 14.826 0.339 1.00 11.41 H new ATOM 0 HG SER A 10 -2.864 15.536 0.196 1.00 74.02 H new ATOM 163 N GLU A 11 -3.896 18.305 2.525 1.00 71.25 N ATOM 164 CA GLU A 11 -2.817 19.046 3.181 1.00 14.32 C ATOM 165 C GLU A 11 -2.462 18.446 4.550 1.00 51.13 C ATOM 166 O GLU A 11 -3.317 18.296 5.423 1.00 11.24 O ATOM 167 CB GLU A 11 -3.193 20.529 3.331 1.00 45.23 C ATOM 168 CG GLU A 11 -3.479 21.245 2.008 1.00 62.43 C ATOM 169 CD GLU A 11 -4.807 20.845 1.380 1.00 50.52 C ATOM 170 OE1 GLU A 11 -5.858 21.286 1.891 1.00 5.13 O ATOM 171 OE2 GLU A 11 -4.809 20.094 0.379 1.00 42.55 O ATOM 0 H GLU A 11 -4.834 18.568 2.828 1.00 71.25 H new ATOM 0 HA GLU A 11 -1.935 18.966 2.546 1.00 14.32 H new ATOM 0 HB2 GLU A 11 -4.073 20.606 3.969 1.00 45.23 H new ATOM 0 HB3 GLU A 11 -2.382 21.047 3.843 1.00 45.23 H new ATOM 0 HG2 GLU A 11 -3.475 22.322 2.178 1.00 62.43 H new ATOM 0 HG3 GLU A 11 -2.674 21.030 1.305 1.00 62.43 H new ATOM 178 N LEU A 12 -1.191 18.102 4.715 1.00 12.23 N ATOM 179 CA LEU A 12 -0.676 17.552 5.975 1.00 21.22 C ATOM 180 C LEU A 12 0.077 18.635 6.783 1.00 4.30 C ATOM 181 O LEU A 12 0.657 19.556 6.208 1.00 70.10 O ATOM 182 CB LEU A 12 0.224 16.325 5.689 1.00 23.43 C ATOM 183 CG LEU A 12 0.877 16.273 4.290 1.00 31.44 C ATOM 184 CD1 LEU A 12 1.826 17.446 4.067 1.00 3.51 C ATOM 185 CD2 LEU A 12 1.601 14.944 4.080 1.00 71.12 C ATOM 0 H LEU A 12 -0.485 18.194 3.985 1.00 12.23 H new ATOM 0 HA LEU A 12 -1.517 17.221 6.585 1.00 21.22 H new ATOM 0 HB2 LEU A 12 1.015 16.298 6.438 1.00 23.43 H new ATOM 0 HB3 LEU A 12 -0.373 15.423 5.823 1.00 23.43 H new ATOM 0 HG LEU A 12 0.078 16.353 3.552 1.00 31.44 H new ATOM 0 HD11 LEU A 12 2.266 17.374 3.072 1.00 3.51 H new ATOM 0 HD12 LEU A 12 1.274 18.382 4.153 1.00 3.51 H new ATOM 0 HD13 LEU A 12 2.617 17.421 4.816 1.00 3.51 H new ATOM 0 HD21 LEU A 12 2.053 14.929 3.088 1.00 71.12 H new ATOM 0 HD22 LEU A 12 2.378 14.830 4.835 1.00 71.12 H new ATOM 0 HD23 LEU A 12 0.888 14.124 4.166 1.00 71.12 H new ATOM 197 N PRO A 13 0.078 18.538 8.131 1.00 23.11 N ATOM 198 CA PRO A 13 0.642 19.591 9.010 1.00 23.22 C ATOM 199 C PRO A 13 2.184 19.684 8.997 1.00 13.34 C ATOM 200 O PRO A 13 2.768 20.501 9.712 1.00 74.01 O ATOM 201 CB PRO A 13 0.134 19.181 10.399 1.00 64.13 C ATOM 202 CG PRO A 13 -0.030 17.700 10.319 1.00 62.44 C ATOM 203 CD PRO A 13 -0.478 17.410 8.909 1.00 51.53 C ATOM 0 HA PRO A 13 0.332 20.583 8.681 1.00 23.22 H new ATOM 0 HB2 PRO A 13 0.843 19.460 11.178 1.00 64.13 H new ATOM 0 HB3 PRO A 13 -0.810 19.672 10.637 1.00 64.13 H new ATOM 0 HG2 PRO A 13 0.907 17.190 10.544 1.00 62.44 H new ATOM 0 HG3 PRO A 13 -0.765 17.349 11.043 1.00 62.44 H new ATOM 0 HD2 PRO A 13 -0.096 16.452 8.556 1.00 51.53 H new ATOM 0 HD3 PRO A 13 -1.565 17.368 8.834 1.00 51.53 H new ATOM 211 N PHE A 14 2.840 18.865 8.177 1.00 41.40 N ATOM 212 CA PHE A 14 4.310 18.848 8.096 1.00 2.34 C ATOM 213 C PHE A 14 4.805 18.958 6.643 1.00 24.14 C ATOM 214 O PHE A 14 4.186 18.427 5.726 1.00 22.43 O ATOM 215 CB PHE A 14 4.858 17.575 8.761 1.00 33.41 C ATOM 216 CG PHE A 14 4.062 16.327 8.459 1.00 3.52 C ATOM 217 CD1 PHE A 14 4.253 15.624 7.278 1.00 23.03 C ATOM 218 CD2 PHE A 14 3.118 15.858 9.365 1.00 21.35 C ATOM 219 CE1 PHE A 14 3.521 14.481 7.009 1.00 64.44 C ATOM 220 CE2 PHE A 14 2.388 14.718 9.098 1.00 42.12 C ATOM 221 CZ PHE A 14 2.589 14.028 7.919 1.00 63.21 C ATOM 0 H PHE A 14 2.380 18.200 7.555 1.00 41.40 H new ATOM 0 HA PHE A 14 4.685 19.721 8.631 1.00 2.34 H new ATOM 0 HB2 PHE A 14 5.887 17.423 8.436 1.00 33.41 H new ATOM 0 HB3 PHE A 14 4.883 17.724 9.840 1.00 33.41 H new ATOM 0 HD1 PHE A 14 4.981 15.973 6.561 1.00 23.03 H new ATOM 0 HD2 PHE A 14 2.954 16.392 10.289 1.00 21.35 H new ATOM 0 HE1 PHE A 14 3.680 13.943 6.086 1.00 64.44 H new ATOM 0 HE2 PHE A 14 1.659 14.365 9.812 1.00 42.12 H new ATOM 0 HZ PHE A 14 2.018 13.136 7.710 1.00 63.21 H new ATOM 231 N GLU A 15 5.930 19.649 6.446 1.00 64.05 N ATOM 232 CA GLU A 15 6.475 19.880 5.099 1.00 2.11 C ATOM 233 C GLU A 15 7.712 19.010 4.812 1.00 24.22 C ATOM 234 O GLU A 15 8.312 19.103 3.740 1.00 60.44 O ATOM 235 CB GLU A 15 6.814 21.371 4.921 1.00 23.40 C ATOM 236 CG GLU A 15 7.773 21.932 5.973 1.00 12.31 C ATOM 237 CD GLU A 15 8.014 23.427 5.807 1.00 15.44 C ATOM 238 OE1 GLU A 15 7.039 24.202 5.900 1.00 61.51 O ATOM 239 OE2 GLU A 15 9.170 23.835 5.564 1.00 73.14 O ATOM 0 H GLU A 15 6.483 20.059 7.198 1.00 64.05 H new ATOM 0 HA GLU A 15 5.709 19.591 4.380 1.00 2.11 H new ATOM 0 HB2 GLU A 15 7.252 21.516 3.934 1.00 23.40 H new ATOM 0 HB3 GLU A 15 5.889 21.947 4.947 1.00 23.40 H new ATOM 0 HG2 GLU A 15 7.368 21.741 6.967 1.00 12.31 H new ATOM 0 HG3 GLU A 15 8.725 21.405 5.910 1.00 12.31 H new ATOM 246 N ARG A 16 8.080 18.153 5.764 1.00 14.02 N ATOM 247 CA ARG A 16 9.251 17.277 5.612 1.00 0.12 C ATOM 248 C ARG A 16 9.135 16.025 6.497 1.00 24.51 C ATOM 249 O ARG A 16 8.842 16.113 7.695 1.00 51.24 O ATOM 250 CB ARG A 16 10.535 18.059 5.933 1.00 61.41 C ATOM 251 CG ARG A 16 10.438 18.872 7.218 1.00 41.43 C ATOM 252 CD ARG A 16 11.569 19.884 7.359 1.00 44.00 C ATOM 253 NE ARG A 16 11.269 20.873 8.391 1.00 33.22 N ATOM 254 CZ ARG A 16 11.150 22.154 8.161 1.00 22.14 C ATOM 255 NH1 ARG A 16 11.361 22.636 6.979 1.00 13.43 N ATOM 256 NH2 ARG A 16 10.834 22.960 9.117 1.00 4.12 N ATOM 0 H ARG A 16 7.587 18.044 6.650 1.00 14.02 H new ATOM 0 HA ARG A 16 9.294 16.939 4.577 1.00 0.12 H new ATOM 0 HB2 ARG A 16 11.367 17.360 6.015 1.00 61.41 H new ATOM 0 HB3 ARG A 16 10.762 18.729 5.103 1.00 61.41 H new ATOM 0 HG2 ARG A 16 9.482 19.396 7.241 1.00 41.43 H new ATOM 0 HG3 ARG A 16 10.452 18.196 8.073 1.00 41.43 H new ATOM 0 HD2 ARG A 16 12.495 19.366 7.607 1.00 44.00 H new ATOM 0 HD3 ARG A 16 11.731 20.387 6.406 1.00 44.00 H new ATOM 0 HE ARG A 16 11.145 20.544 9.349 1.00 33.22 H new ATOM 0 HH11 ARG A 16 11.623 22.014 6.214 1.00 13.43 H new ATOM 0 HH12 ARG A 16 11.265 23.638 6.812 1.00 13.43 H new ATOM 0 HH21 ARG A 16 10.676 22.598 10.058 1.00 4.12 H new ATOM 0 HH22 ARG A 16 10.742 23.959 8.932 1.00 4.12 H new ATOM 270 N VAL A 17 9.360 14.858 5.895 1.00 4.21 N ATOM 271 CA VAL A 17 9.229 13.573 6.597 1.00 13.50 C ATOM 272 C VAL A 17 10.516 12.736 6.513 1.00 3.14 C ATOM 273 O VAL A 17 11.354 12.943 5.634 1.00 2.14 O ATOM 274 CB VAL A 17 8.061 12.733 6.018 1.00 42.13 C ATOM 275 CG1 VAL A 17 6.733 13.461 6.184 1.00 74.04 C ATOM 276 CG2 VAL A 17 8.312 12.384 4.549 1.00 14.05 C ATOM 0 H VAL A 17 9.636 14.772 4.917 1.00 4.21 H new ATOM 0 HA VAL A 17 9.030 13.817 7.640 1.00 13.50 H new ATOM 0 HB VAL A 17 8.007 11.801 6.580 1.00 42.13 H new ATOM 0 HG11 VAL A 17 5.930 12.851 5.770 1.00 74.04 H new ATOM 0 HG12 VAL A 17 6.545 13.638 7.243 1.00 74.04 H new ATOM 0 HG13 VAL A 17 6.773 14.415 5.658 1.00 74.04 H new ATOM 0 HG21 VAL A 17 7.478 11.795 4.167 1.00 14.05 H new ATOM 0 HG22 VAL A 17 8.404 13.301 3.968 1.00 14.05 H new ATOM 0 HG23 VAL A 17 9.233 11.807 4.464 1.00 14.05 H new ATOM 286 N TYR A 18 10.660 11.793 7.443 1.00 21.53 N ATOM 287 CA TYR A 18 11.775 10.838 7.430 1.00 14.42 C ATOM 288 C TYR A 18 11.255 9.395 7.504 1.00 3.32 C ATOM 289 O TYR A 18 10.617 9.003 8.482 1.00 64.43 O ATOM 290 CB TYR A 18 12.733 11.115 8.601 1.00 14.14 C ATOM 291 CG TYR A 18 13.809 10.056 8.784 1.00 25.23 C ATOM 292 CD1 TYR A 18 14.903 9.987 7.927 1.00 20.12 C ATOM 293 CD2 TYR A 18 13.728 9.121 9.814 1.00 75.35 C ATOM 294 CE1 TYR A 18 15.879 9.021 8.090 1.00 70.44 C ATOM 295 CE2 TYR A 18 14.700 8.155 9.982 1.00 44.52 C ATOM 296 CZ TYR A 18 15.771 8.109 9.118 1.00 73.12 C ATOM 297 OH TYR A 18 16.742 7.148 9.279 1.00 4.13 O ATOM 0 H TYR A 18 10.014 11.667 8.222 1.00 21.53 H new ATOM 0 HA TYR A 18 12.319 10.963 6.494 1.00 14.42 H new ATOM 0 HB2 TYR A 18 13.212 12.082 8.444 1.00 14.14 H new ATOM 0 HB3 TYR A 18 12.153 11.192 9.521 1.00 14.14 H new ATOM 0 HD1 TYR A 18 14.991 10.700 7.121 1.00 20.12 H new ATOM 0 HD2 TYR A 18 12.889 9.153 10.494 1.00 75.35 H new ATOM 0 HE1 TYR A 18 16.721 8.981 7.415 1.00 70.44 H new ATOM 0 HE2 TYR A 18 14.621 7.439 10.787 1.00 44.52 H new ATOM 0 HH TYR A 18 16.520 6.584 10.049 1.00 4.13 H new ATOM 307 N ILE A 19 11.529 8.608 6.466 1.00 62.34 N ATOM 308 CA ILE A 19 11.071 7.215 6.409 1.00 72.31 C ATOM 309 C ILE A 19 12.155 6.230 6.888 1.00 70.10 C ATOM 310 O ILE A 19 13.357 6.483 6.755 1.00 74.23 O ATOM 311 CB ILE A 19 10.629 6.826 4.972 1.00 53.11 C ATOM 312 CG1 ILE A 19 10.038 5.400 4.954 1.00 45.01 C ATOM 313 CG2 ILE A 19 11.802 6.942 3.997 1.00 23.43 C ATOM 314 CD1 ILE A 19 9.540 4.949 3.597 1.00 50.21 C ATOM 0 H ILE A 19 12.065 8.908 5.652 1.00 62.34 H new ATOM 0 HA ILE A 19 10.216 7.145 7.082 1.00 72.31 H new ATOM 0 HB ILE A 19 9.852 7.520 4.651 1.00 53.11 H new ATOM 0 HG12 ILE A 19 10.798 4.700 5.300 1.00 45.01 H new ATOM 0 HG13 ILE A 19 9.213 5.352 5.665 1.00 45.01 H new ATOM 0 HG21 ILE A 19 11.472 6.665 2.996 1.00 23.43 H new ATOM 0 HG22 ILE A 19 12.167 7.969 3.988 1.00 23.43 H new ATOM 0 HG23 ILE A 19 12.604 6.275 4.312 1.00 23.43 H new ATOM 0 HD11 ILE A 19 9.141 3.937 3.674 1.00 50.21 H new ATOM 0 HD12 ILE A 19 8.755 5.623 3.255 1.00 50.21 H new ATOM 0 HD13 ILE A 19 10.365 4.961 2.884 1.00 50.21 H new ATOM 326 N THR A 20 11.716 5.110 7.456 1.00 45.01 N ATOM 327 CA THR A 20 12.620 4.032 7.877 1.00 73.32 C ATOM 328 C THR A 20 11.932 2.662 7.783 1.00 50.45 C ATOM 329 O THR A 20 10.747 2.522 8.098 1.00 30.45 O ATOM 330 CB THR A 20 13.148 4.248 9.319 1.00 52.33 C ATOM 331 OG1 THR A 20 13.864 3.083 9.766 1.00 15.12 O ATOM 332 CG2 THR A 20 12.012 4.561 10.285 1.00 34.41 C ATOM 0 H THR A 20 10.731 4.920 7.639 1.00 45.01 H new ATOM 0 HA THR A 20 13.469 4.054 7.194 1.00 73.32 H new ATOM 0 HB THR A 20 13.824 5.103 9.302 1.00 52.33 H new ATOM 0 HG1 THR A 20 14.194 3.231 10.677 1.00 15.12 H new ATOM 0 HG21 THR A 20 12.416 4.707 11.287 1.00 34.41 H new ATOM 0 HG22 THR A 20 11.501 5.469 9.964 1.00 34.41 H new ATOM 0 HG23 THR A 20 11.305 3.732 10.296 1.00 34.41 H new ATOM 340 N ALA A 21 12.683 1.657 7.336 1.00 62.23 N ATOM 341 CA ALA A 21 12.146 0.302 7.134 1.00 33.21 C ATOM 342 C ALA A 21 13.078 -0.774 7.727 1.00 31.43 C ATOM 343 O ALA A 21 14.259 -0.512 7.983 1.00 55.14 O ATOM 344 CB ALA A 21 11.930 0.056 5.638 1.00 34.14 C ATOM 0 H ALA A 21 13.672 1.751 7.104 1.00 62.23 H new ATOM 0 HA ALA A 21 11.193 0.230 7.658 1.00 33.21 H new ATOM 0 HB1 ALA A 21 11.532 -0.948 5.488 1.00 34.14 H new ATOM 0 HB2 ALA A 21 11.224 0.788 5.247 1.00 34.14 H new ATOM 0 HB3 ALA A 21 12.880 0.152 5.113 1.00 34.14 H new ATOM 350 N PRO A 22 12.563 -1.999 7.974 1.00 15.35 N ATOM 351 CA PRO A 22 13.388 -3.126 8.445 1.00 14.12 C ATOM 352 C PRO A 22 14.223 -3.770 7.322 1.00 62.24 C ATOM 353 O PRO A 22 15.179 -4.502 7.587 1.00 60.53 O ATOM 354 CB PRO A 22 12.343 -4.117 8.973 1.00 24.43 C ATOM 355 CG PRO A 22 11.137 -3.861 8.131 1.00 5.13 C ATOM 356 CD PRO A 22 11.136 -2.376 7.851 1.00 64.25 C ATOM 0 HA PRO A 22 14.123 -2.811 9.186 1.00 14.12 H new ATOM 0 HB2 PRO A 22 12.686 -5.147 8.875 1.00 24.43 H new ATOM 0 HB3 PRO A 22 12.134 -3.950 10.030 1.00 24.43 H new ATOM 0 HG2 PRO A 22 11.179 -4.433 7.204 1.00 5.13 H new ATOM 0 HG3 PRO A 22 10.227 -4.161 8.650 1.00 5.13 H new ATOM 0 HD2 PRO A 22 10.747 -2.155 6.857 1.00 64.25 H new ATOM 0 HD3 PRO A 22 10.515 -1.834 8.564 1.00 64.25 H new ATOM 364 N ALA A 23 13.842 -3.496 6.074 1.00 70.05 N ATOM 365 CA ALA A 23 14.535 -4.041 4.900 1.00 32.05 C ATOM 366 C ALA A 23 14.084 -3.336 3.613 1.00 50.03 C ATOM 367 O ALA A 23 13.320 -2.368 3.656 1.00 14.22 O ATOM 368 CB ALA A 23 14.289 -5.543 4.793 1.00 13.25 C ATOM 0 H ALA A 23 13.050 -2.895 5.846 1.00 70.05 H new ATOM 0 HA ALA A 23 15.603 -3.864 5.025 1.00 32.05 H new ATOM 0 HB1 ALA A 23 14.808 -5.935 3.919 1.00 13.25 H new ATOM 0 HB2 ALA A 23 14.663 -6.038 5.689 1.00 13.25 H new ATOM 0 HB3 ALA A 23 13.220 -5.730 4.695 1.00 13.25 H new ATOM 374 N GLY A 24 14.551 -3.830 2.470 1.00 30.22 N ATOM 375 CA GLY A 24 14.189 -3.231 1.192 1.00 14.32 C ATOM 376 C GLY A 24 12.837 -3.700 0.658 1.00 73.15 C ATOM 377 O GLY A 24 12.769 -4.612 -0.170 1.00 71.32 O ATOM 0 H GLY A 24 15.174 -4.635 2.403 1.00 30.22 H new ATOM 0 HA2 GLY A 24 14.171 -2.147 1.301 1.00 14.32 H new ATOM 0 HA3 GLY A 24 14.961 -3.465 0.459 1.00 14.32 H new ATOM 381 N LEU A 25 11.754 -3.092 1.145 1.00 60.43 N ATOM 382 CA LEU A 25 10.408 -3.350 0.610 1.00 24.43 C ATOM 383 C LEU A 25 10.036 -2.281 -0.428 1.00 54.42 C ATOM 384 O LEU A 25 10.345 -1.102 -0.243 1.00 53.11 O ATOM 385 CB LEU A 25 9.343 -3.355 1.724 1.00 52.11 C ATOM 386 CG LEU A 25 9.549 -4.365 2.871 1.00 64.44 C ATOM 387 CD1 LEU A 25 10.596 -3.868 3.860 1.00 72.04 C ATOM 388 CD2 LEU A 25 8.228 -4.640 3.587 1.00 23.14 C ATOM 0 H LEU A 25 11.778 -2.417 1.909 1.00 60.43 H new ATOM 0 HA LEU A 25 10.429 -4.335 0.144 1.00 24.43 H new ATOM 0 HB2 LEU A 25 9.296 -2.355 2.155 1.00 52.11 H new ATOM 0 HB3 LEU A 25 8.373 -3.551 1.267 1.00 52.11 H new ATOM 0 HG LEU A 25 9.911 -5.297 2.436 1.00 64.44 H new ATOM 0 HD11 LEU A 25 10.720 -4.601 4.658 1.00 72.04 H new ATOM 0 HD12 LEU A 25 11.546 -3.729 3.344 1.00 72.04 H new ATOM 0 HD13 LEU A 25 10.272 -2.919 4.287 1.00 72.04 H new ATOM 0 HD21 LEU A 25 8.393 -5.355 4.393 1.00 23.14 H new ATOM 0 HD22 LEU A 25 7.838 -3.710 4.001 1.00 23.14 H new ATOM 0 HD23 LEU A 25 7.509 -5.052 2.879 1.00 23.14 H new ATOM 400 N THR A 26 9.357 -2.685 -1.506 1.00 13.42 N ATOM 401 CA THR A 26 8.950 -1.737 -2.564 1.00 64.34 C ATOM 402 C THR A 26 8.162 -0.565 -1.971 1.00 34.02 C ATOM 403 O THR A 26 8.303 0.582 -2.400 1.00 73.45 O ATOM 404 CB THR A 26 8.068 -2.397 -3.660 1.00 73.22 C ATOM 405 OG1 THR A 26 6.718 -2.569 -3.188 1.00 74.14 O ATOM 406 CG2 THR A 26 8.638 -3.748 -4.088 1.00 54.13 C ATOM 0 H THR A 26 9.077 -3.651 -1.674 1.00 13.42 H new ATOM 0 HA THR A 26 9.877 -1.391 -3.021 1.00 64.34 H new ATOM 0 HB THR A 26 8.064 -1.732 -4.524 1.00 73.22 H new ATOM 0 HG1 THR A 26 6.212 -1.743 -3.337 1.00 74.14 H new ATOM 0 HG21 THR A 26 8.000 -4.186 -4.856 1.00 54.13 H new ATOM 0 HG22 THR A 26 9.643 -3.609 -4.487 1.00 54.13 H new ATOM 0 HG23 THR A 26 8.679 -4.415 -3.227 1.00 54.13 H new ATOM 414 N ILE A 27 7.349 -0.874 -0.959 1.00 75.41 N ATOM 415 CA ILE A 27 6.509 0.116 -0.278 1.00 41.05 C ATOM 416 C ILE A 27 7.327 1.330 0.211 1.00 24.15 C ATOM 417 O ILE A 27 6.831 2.457 0.240 1.00 20.11 O ATOM 418 CB ILE A 27 5.768 -0.534 0.925 1.00 74.03 C ATOM 419 CG1 ILE A 27 4.641 0.382 1.439 1.00 14.31 C ATOM 420 CG2 ILE A 27 6.747 -0.879 2.051 1.00 41.44 C ATOM 421 CD1 ILE A 27 3.520 0.581 0.438 1.00 73.01 C ATOM 0 H ILE A 27 7.254 -1.819 -0.587 1.00 75.41 H new ATOM 0 HA ILE A 27 5.780 0.473 -1.006 1.00 41.05 H new ATOM 0 HB ILE A 27 5.315 -1.462 0.577 1.00 74.03 H new ATOM 0 HG12 ILE A 27 4.229 -0.041 2.355 1.00 14.31 H new ATOM 0 HG13 ILE A 27 5.063 1.353 1.698 1.00 14.31 H new ATOM 0 HG21 ILE A 27 6.203 -1.332 2.880 1.00 41.44 H new ATOM 0 HG22 ILE A 27 7.495 -1.581 1.681 1.00 41.44 H new ATOM 0 HG23 ILE A 27 7.241 0.030 2.395 1.00 41.44 H new ATOM 0 HD11 ILE A 27 2.762 1.236 0.867 1.00 73.01 H new ATOM 0 HD12 ILE A 27 3.919 1.033 -0.470 1.00 73.01 H new ATOM 0 HD13 ILE A 27 3.072 -0.383 0.197 1.00 73.01 H new ATOM 433 N GLY A 28 8.592 1.090 0.572 1.00 5.41 N ATOM 434 CA GLY A 28 9.459 2.155 1.069 1.00 44.35 C ATOM 435 C GLY A 28 9.840 3.176 -0.002 1.00 73.42 C ATOM 436 O GLY A 28 10.335 4.260 0.309 1.00 43.41 O ATOM 0 H GLY A 28 9.033 0.171 0.529 1.00 5.41 H new ATOM 0 HA2 GLY A 28 8.957 2.669 1.889 1.00 44.35 H new ATOM 0 HA3 GLY A 28 10.367 1.713 1.479 1.00 44.35 H new ATOM 440 N SER A 29 9.634 2.819 -1.268 1.00 74.53 N ATOM 441 CA SER A 29 9.877 3.741 -2.387 1.00 10.31 C ATOM 442 C SER A 29 8.550 4.221 -2.993 1.00 74.22 C ATOM 443 O SER A 29 8.419 5.379 -3.393 1.00 42.23 O ATOM 444 CB SER A 29 10.738 3.073 -3.470 1.00 35.41 C ATOM 445 OG SER A 29 11.181 4.019 -4.434 1.00 31.22 O ATOM 0 H SER A 29 9.299 1.898 -1.550 1.00 74.53 H new ATOM 0 HA SER A 29 10.417 4.604 -1.997 1.00 10.31 H new ATOM 0 HB2 SER A 29 11.599 2.592 -3.007 1.00 35.41 H new ATOM 0 HB3 SER A 29 10.162 2.290 -3.964 1.00 35.41 H new ATOM 0 HG SER A 29 11.728 3.566 -5.110 1.00 31.22 H new ATOM 451 N ASP A 30 7.563 3.321 -3.051 1.00 71.04 N ATOM 452 CA ASP A 30 6.224 3.665 -3.544 1.00 54.24 C ATOM 453 C ASP A 30 5.622 4.847 -2.760 1.00 34.31 C ATOM 454 O ASP A 30 5.097 5.796 -3.349 1.00 40.32 O ATOM 455 CB ASP A 30 5.284 2.450 -3.444 1.00 11.34 C ATOM 456 CG ASP A 30 5.719 1.281 -4.316 1.00 44.24 C ATOM 457 OD1 ASP A 30 6.040 1.504 -5.500 1.00 23.55 O ATOM 458 OD2 ASP A 30 5.730 0.131 -3.826 1.00 3.31 O ATOM 0 H ASP A 30 7.666 2.348 -2.763 1.00 71.04 H new ATOM 0 HA ASP A 30 6.326 3.960 -4.588 1.00 54.24 H new ATOM 0 HB2 ASP A 30 5.235 2.122 -2.406 1.00 11.34 H new ATOM 0 HB3 ASP A 30 4.277 2.753 -3.731 1.00 11.34 H new ATOM 463 N LEU A 31 5.716 4.785 -1.431 1.00 71.21 N ATOM 464 CA LEU A 31 5.139 5.815 -0.556 1.00 24.52 C ATOM 465 C LEU A 31 5.761 7.201 -0.798 1.00 32.14 C ATOM 466 O LEU A 31 5.048 8.177 -1.054 1.00 13.35 O ATOM 467 CB LEU A 31 5.309 5.412 0.916 1.00 63.35 C ATOM 468 CG LEU A 31 4.724 6.398 1.943 1.00 20.24 C ATOM 469 CD1 LEU A 31 3.226 6.598 1.714 1.00 45.32 C ATOM 470 CD2 LEU A 31 4.998 5.918 3.370 1.00 11.34 C ATOM 0 H LEU A 31 6.188 4.030 -0.932 1.00 71.21 H new ATOM 0 HA LEU A 31 4.078 5.888 -0.797 1.00 24.52 H new ATOM 0 HB2 LEU A 31 4.841 4.439 1.065 1.00 63.35 H new ATOM 0 HB3 LEU A 31 6.373 5.289 1.121 1.00 63.35 H new ATOM 0 HG LEU A 31 5.216 7.361 1.808 1.00 20.24 H new ATOM 0 HD11 LEU A 31 2.835 7.299 2.452 1.00 45.32 H new ATOM 0 HD12 LEU A 31 3.061 6.996 0.713 1.00 45.32 H new ATOM 0 HD13 LEU A 31 2.712 5.642 1.814 1.00 45.32 H new ATOM 0 HD21 LEU A 31 4.576 6.629 4.080 1.00 11.34 H new ATOM 0 HD22 LEU A 31 4.539 4.941 3.519 1.00 11.34 H new ATOM 0 HD23 LEU A 31 6.074 5.842 3.528 1.00 11.34 H new ATOM 482 N GLU A 32 7.086 7.279 -0.722 1.00 11.54 N ATOM 483 CA GLU A 32 7.808 8.551 -0.875 1.00 54.12 C ATOM 484 C GLU A 32 7.444 9.271 -2.182 1.00 60.31 C ATOM 485 O GLU A 32 7.355 10.503 -2.223 1.00 25.13 O ATOM 486 CB GLU A 32 9.320 8.306 -0.810 1.00 60.32 C ATOM 487 CG GLU A 32 9.762 7.502 0.413 1.00 52.40 C ATOM 488 CD GLU A 32 9.179 8.028 1.717 1.00 41.01 C ATOM 489 OE1 GLU A 32 9.793 8.926 2.324 1.00 41.11 O ATOM 490 OE2 GLU A 32 8.106 7.542 2.131 1.00 64.12 O ATOM 0 H GLU A 32 7.690 6.475 -0.555 1.00 11.54 H new ATOM 0 HA GLU A 32 7.507 9.200 -0.053 1.00 54.12 H new ATOM 0 HB2 GLU A 32 9.633 7.780 -1.712 1.00 60.32 H new ATOM 0 HB3 GLU A 32 9.835 9.267 -0.807 1.00 60.32 H new ATOM 0 HG2 GLU A 32 9.465 6.461 0.283 1.00 52.40 H new ATOM 0 HG3 GLU A 32 10.850 7.517 0.476 1.00 52.40 H new ATOM 497 N ARG A 33 7.230 8.497 -3.245 1.00 24.41 N ATOM 498 CA ARG A 33 6.780 9.055 -4.524 1.00 61.10 C ATOM 499 C ARG A 33 5.419 9.748 -4.373 1.00 44.20 C ATOM 500 O ARG A 33 5.203 10.841 -4.897 1.00 14.24 O ATOM 501 CB ARG A 33 6.692 7.954 -5.589 1.00 4.10 C ATOM 502 CG ARG A 33 8.046 7.391 -6.004 1.00 42.04 C ATOM 503 CD ARG A 33 7.904 6.293 -7.052 1.00 12.01 C ATOM 504 NE ARG A 33 9.203 5.860 -7.565 1.00 42.42 N ATOM 505 CZ ARG A 33 9.617 4.626 -7.582 1.00 4.24 C ATOM 506 NH1 ARG A 33 8.873 3.669 -7.134 1.00 63.23 N ATOM 507 NH2 ARG A 33 10.785 4.353 -8.062 1.00 44.34 N ATOM 0 H ARG A 33 7.360 7.485 -3.249 1.00 24.41 H new ATOM 0 HA ARG A 33 7.512 9.798 -4.842 1.00 61.10 H new ATOM 0 HB2 ARG A 33 6.072 7.142 -5.209 1.00 4.10 H new ATOM 0 HB3 ARG A 33 6.189 8.353 -6.470 1.00 4.10 H new ATOM 0 HG2 ARG A 33 8.668 8.194 -6.400 1.00 42.04 H new ATOM 0 HG3 ARG A 33 8.559 6.994 -5.128 1.00 42.04 H new ATOM 0 HD2 ARG A 33 7.383 5.440 -6.617 1.00 12.01 H new ATOM 0 HD3 ARG A 33 7.290 6.655 -7.877 1.00 12.01 H new ATOM 0 HE ARG A 33 9.829 6.575 -7.936 1.00 42.42 H new ATOM 0 HH11 ARG A 33 7.947 3.875 -6.760 1.00 63.23 H new ATOM 0 HH12 ARG A 33 9.212 2.707 -7.154 1.00 63.23 H new ATOM 0 HH21 ARG A 33 11.375 5.102 -8.424 1.00 44.34 H new ATOM 0 HH22 ARG A 33 11.117 3.389 -8.079 1.00 44.34 H new ATOM 521 N VAL A 34 4.511 9.107 -3.643 1.00 3.22 N ATOM 522 CA VAL A 34 3.174 9.656 -3.408 1.00 20.21 C ATOM 523 C VAL A 34 3.229 10.938 -2.566 1.00 64.43 C ATOM 524 O VAL A 34 2.563 11.928 -2.879 1.00 0.51 O ATOM 525 CB VAL A 34 2.262 8.616 -2.711 1.00 45.25 C ATOM 526 CG1 VAL A 34 0.915 9.227 -2.327 1.00 31.00 C ATOM 527 CG2 VAL A 34 2.070 7.395 -3.607 1.00 33.41 C ATOM 0 H VAL A 34 4.675 8.203 -3.201 1.00 3.22 H new ATOM 0 HA VAL A 34 2.755 9.902 -4.384 1.00 20.21 H new ATOM 0 HB VAL A 34 2.752 8.298 -1.791 1.00 45.25 H new ATOM 0 HG11 VAL A 34 0.298 8.472 -1.840 1.00 31.00 H new ATOM 0 HG12 VAL A 34 1.075 10.061 -1.643 1.00 31.00 H new ATOM 0 HG13 VAL A 34 0.409 9.585 -3.224 1.00 31.00 H new ATOM 0 HG21 VAL A 34 1.427 6.672 -3.104 1.00 33.41 H new ATOM 0 HG22 VAL A 34 1.608 7.701 -4.545 1.00 33.41 H new ATOM 0 HG23 VAL A 34 3.038 6.938 -3.812 1.00 33.41 H new ATOM 537 N ILE A 35 4.032 10.919 -1.506 1.00 52.30 N ATOM 538 CA ILE A 35 4.183 12.083 -0.624 1.00 23.10 C ATOM 539 C ILE A 35 4.718 13.306 -1.391 1.00 74.01 C ATOM 540 O ILE A 35 4.069 14.353 -1.438 1.00 53.33 O ATOM 541 CB ILE A 35 5.137 11.766 0.558 1.00 75.15 C ATOM 542 CG1 ILE A 35 4.619 10.562 1.367 1.00 11.22 C ATOM 543 CG2 ILE A 35 5.306 12.989 1.462 1.00 1.24 C ATOM 544 CD1 ILE A 35 5.531 10.158 2.506 1.00 3.51 C ATOM 0 H ILE A 35 4.591 10.111 -1.233 1.00 52.30 H new ATOM 0 HA ILE A 35 3.192 12.317 -0.235 1.00 23.10 H new ATOM 0 HB ILE A 35 6.113 11.508 0.147 1.00 75.15 H new ATOM 0 HG12 ILE A 35 3.634 10.802 1.769 1.00 11.22 H new ATOM 0 HG13 ILE A 35 4.491 9.712 0.696 1.00 11.22 H new ATOM 0 HG21 ILE A 35 5.979 12.744 2.284 1.00 1.24 H new ATOM 0 HG22 ILE A 35 5.724 13.813 0.884 1.00 1.24 H new ATOM 0 HG23 ILE A 35 4.336 13.282 1.863 1.00 1.24 H new ATOM 0 HD11 ILE A 35 5.102 9.304 3.030 1.00 3.51 H new ATOM 0 HD12 ILE A 35 6.509 9.886 2.110 1.00 3.51 H new ATOM 0 HD13 ILE A 35 5.639 10.992 3.199 1.00 3.51 H new ATOM 556 N SER A 36 5.884 13.147 -2.016 1.00 11.12 N ATOM 557 CA SER A 36 6.571 14.256 -2.706 1.00 64.34 C ATOM 558 C SER A 36 5.746 14.854 -3.863 1.00 51.43 C ATOM 559 O SER A 36 5.848 16.047 -4.155 1.00 61.40 O ATOM 560 CB SER A 36 7.932 13.780 -3.240 1.00 5.44 C ATOM 561 OG SER A 36 8.624 14.825 -3.912 1.00 63.21 O ATOM 0 H SER A 36 6.381 12.258 -2.063 1.00 11.12 H new ATOM 0 HA SER A 36 6.706 15.046 -1.967 1.00 64.34 H new ATOM 0 HB2 SER A 36 8.540 13.413 -2.413 1.00 5.44 H new ATOM 0 HB3 SER A 36 7.784 12.943 -3.923 1.00 5.44 H new ATOM 0 HG SER A 36 9.485 14.490 -4.238 1.00 63.21 H new ATOM 567 N THR A 37 4.936 14.029 -4.523 1.00 53.13 N ATOM 568 CA THR A 37 4.167 14.481 -5.694 1.00 21.00 C ATOM 569 C THR A 37 2.774 15.012 -5.320 1.00 52.44 C ATOM 570 O THR A 37 2.427 16.150 -5.642 1.00 1.43 O ATOM 571 CB THR A 37 4.000 13.347 -6.733 1.00 51.23 C ATOM 572 OG1 THR A 37 3.265 12.256 -6.156 1.00 3.33 O ATOM 573 CG2 THR A 37 5.358 12.853 -7.229 1.00 10.34 C ATOM 0 H THR A 37 4.792 13.050 -4.274 1.00 53.13 H new ATOM 0 HA THR A 37 4.745 15.298 -6.126 1.00 21.00 H new ATOM 0 HB THR A 37 3.448 13.745 -7.585 1.00 51.23 H new ATOM 0 HG1 THR A 37 3.882 11.660 -5.682 1.00 3.33 H new ATOM 0 HG21 THR A 37 5.211 12.056 -7.958 1.00 10.34 H new ATOM 0 HG22 THR A 37 5.897 13.677 -7.696 1.00 10.34 H new ATOM 0 HG23 THR A 37 5.936 12.472 -6.387 1.00 10.34 H new ATOM 581 N HIS A 38 1.981 14.187 -4.637 1.00 12.42 N ATOM 582 CA HIS A 38 0.583 14.527 -4.332 1.00 23.40 C ATOM 583 C HIS A 38 0.458 15.670 -3.309 1.00 43.21 C ATOM 584 O HIS A 38 -0.366 16.571 -3.481 1.00 64.04 O ATOM 585 CB HIS A 38 -0.175 13.290 -3.826 1.00 52.31 C ATOM 586 CG HIS A 38 -0.319 12.210 -4.856 1.00 55.41 C ATOM 587 ND1 HIS A 38 0.573 11.306 -5.326 1.00 32.05 N flip ATOM 588 CD2 HIS A 38 -1.497 11.956 -5.524 1.00 55.12 C flip ATOM 589 CE1 HIS A 38 -0.078 10.535 -6.253 1.00 15.32 C flip ATOM 590 NE2 HIS A 38 -1.323 10.948 -6.353 1.00 24.50 N flip ATOM 0 H HIS A 38 2.278 13.278 -4.283 1.00 12.42 H new ATOM 0 HA HIS A 38 0.138 14.875 -5.264 1.00 23.40 H new ATOM 0 HB2 HIS A 38 0.346 12.885 -2.958 1.00 52.31 H new ATOM 0 HB3 HIS A 38 -1.166 13.594 -3.490 1.00 52.31 H new ATOM 0 HD2 HIS A 38 -2.420 12.500 -5.389 1.00 55.12 H new ATOM 0 HE1 HIS A 38 0.360 9.721 -6.811 1.00 15.32 H new ATOM 0 HE2 HIS A 38 -2.034 10.554 -6.969 1.00 24.50 H new ATOM 599 N THR A 39 1.269 15.634 -2.249 1.00 3.44 N ATOM 600 CA THR A 39 1.167 16.639 -1.174 1.00 11.23 C ATOM 601 C THR A 39 2.280 17.693 -1.265 1.00 33.40 C ATOM 602 O THR A 39 3.018 17.764 -2.250 1.00 11.43 O ATOM 603 CB THR A 39 1.212 15.996 0.236 1.00 73.21 C ATOM 604 OG1 THR A 39 2.535 15.530 0.541 1.00 23.42 O ATOM 605 CG2 THR A 39 0.222 14.843 0.344 1.00 50.45 C ATOM 0 H THR A 39 1.996 14.933 -2.107 1.00 3.44 H new ATOM 0 HA THR A 39 0.200 17.121 -1.317 1.00 11.23 H new ATOM 0 HB THR A 39 0.932 16.764 0.957 1.00 73.21 H new ATOM 0 HG1 THR A 39 2.938 15.141 -0.263 1.00 23.42 H new ATOM 0 HG21 THR A 39 0.275 14.411 1.343 1.00 50.45 H new ATOM 0 HG22 THR A 39 -0.787 15.212 0.161 1.00 50.45 H new ATOM 0 HG23 THR A 39 0.469 14.081 -0.395 1.00 50.45 H new ATOM 613 N ARG A 40 2.388 18.519 -0.227 1.00 50.43 N ATOM 614 CA ARG A 40 3.377 19.598 -0.190 1.00 72.35 C ATOM 615 C ARG A 40 4.653 19.164 0.559 1.00 21.11 C ATOM 616 O ARG A 40 5.644 19.895 0.589 1.00 22.12 O ATOM 617 CB ARG A 40 2.765 20.838 0.487 1.00 15.33 C ATOM 618 CG ARG A 40 3.341 22.165 -0.001 1.00 51.32 C ATOM 619 CD ARG A 40 2.947 22.444 -1.449 1.00 74.44 C ATOM 620 NE ARG A 40 3.434 23.740 -1.917 1.00 0.33 N ATOM 621 CZ ARG A 40 2.862 24.448 -2.855 1.00 50.23 C ATOM 622 NH1 ARG A 40 1.779 24.032 -3.437 1.00 42.41 N ATOM 623 NH2 ARG A 40 3.374 25.583 -3.203 1.00 3.32 N ATOM 0 H ARG A 40 1.800 18.462 0.605 1.00 50.43 H new ATOM 0 HA ARG A 40 3.657 19.841 -1.215 1.00 72.35 H new ATOM 0 HB2 ARG A 40 1.688 20.837 0.316 1.00 15.33 H new ATOM 0 HB3 ARG A 40 2.917 20.763 1.564 1.00 15.33 H new ATOM 0 HG2 ARG A 40 2.985 22.974 0.637 1.00 51.32 H new ATOM 0 HG3 ARG A 40 4.427 22.145 0.085 1.00 51.32 H new ATOM 0 HD2 ARG A 40 3.344 21.656 -2.089 1.00 74.44 H new ATOM 0 HD3 ARG A 40 1.861 22.412 -1.540 1.00 74.44 H new ATOM 0 HE ARG A 40 4.276 24.117 -1.483 1.00 0.33 H new ATOM 0 HH11 ARG A 40 1.363 23.142 -3.164 1.00 42.41 H new ATOM 0 HH12 ARG A 40 1.344 24.595 -4.167 1.00 42.41 H new ATOM 0 HH21 ARG A 40 4.221 25.922 -2.746 1.00 3.32 H new ATOM 0 HH22 ARG A 40 2.931 26.139 -3.934 1.00 3.32 H new ATOM 637 N ALA A 41 4.627 17.967 1.147 1.00 4.43 N ATOM 638 CA ALA A 41 5.730 17.490 1.992 1.00 4.45 C ATOM 639 C ALA A 41 6.882 16.878 1.177 1.00 11.44 C ATOM 640 O ALA A 41 6.665 16.183 0.184 1.00 22.42 O ATOM 641 CB ALA A 41 5.207 16.477 3.002 1.00 1.22 C ATOM 0 H ALA A 41 3.855 17.307 1.055 1.00 4.43 H new ATOM 0 HA ALA A 41 6.136 18.358 2.512 1.00 4.45 H new ATOM 0 HB1 ALA A 41 6.030 16.127 3.626 1.00 1.22 H new ATOM 0 HB2 ALA A 41 4.450 16.947 3.630 1.00 1.22 H new ATOM 0 HB3 ALA A 41 4.767 15.631 2.474 1.00 1.22 H new ATOM 647 N LYS A 42 8.112 17.145 1.612 1.00 14.01 N ATOM 648 CA LYS A 42 9.311 16.574 0.983 1.00 31.43 C ATOM 649 C LYS A 42 9.966 15.512 1.887 1.00 43.22 C ATOM 650 O LYS A 42 9.751 15.491 3.099 1.00 52.35 O ATOM 651 CB LYS A 42 10.319 17.693 0.646 1.00 32.44 C ATOM 652 CG LYS A 42 10.385 18.047 -0.840 1.00 12.12 C ATOM 653 CD LYS A 42 9.036 18.492 -1.406 1.00 31.13 C ATOM 654 CE LYS A 42 8.575 19.828 -0.831 1.00 75.34 C ATOM 655 NZ LYS A 42 7.321 20.302 -1.479 1.00 55.33 N ATOM 0 H LYS A 42 8.310 17.757 2.403 1.00 14.01 H new ATOM 0 HA LYS A 42 9.007 16.082 0.059 1.00 31.43 H new ATOM 0 HB2 LYS A 42 10.055 18.587 1.210 1.00 32.44 H new ATOM 0 HB3 LYS A 42 11.310 17.387 0.980 1.00 32.44 H new ATOM 0 HG2 LYS A 42 11.115 18.843 -0.987 1.00 12.12 H new ATOM 0 HG3 LYS A 42 10.740 17.181 -1.399 1.00 12.12 H new ATOM 0 HD2 LYS A 42 9.109 18.572 -2.491 1.00 31.13 H new ATOM 0 HD3 LYS A 42 8.287 17.730 -1.193 1.00 31.13 H new ATOM 0 HE2 LYS A 42 8.414 19.726 0.242 1.00 75.34 H new ATOM 0 HE3 LYS A 42 9.359 20.573 -0.967 1.00 75.34 H new ATOM 0 HZ1 LYS A 42 7.332 21.340 -1.538 1.00 55.33 H new ATOM 0 HZ2 LYS A 42 7.252 19.901 -2.436 1.00 55.33 H new ATOM 0 HZ3 LYS A 42 6.502 19.996 -0.916 1.00 55.33 H new ATOM 669 N VAL A 43 10.770 14.635 1.289 1.00 43.44 N ATOM 670 CA VAL A 43 11.418 13.545 2.030 1.00 4.14 C ATOM 671 C VAL A 43 12.903 13.837 2.306 1.00 21.22 C ATOM 672 O VAL A 43 13.656 14.206 1.402 1.00 72.53 O ATOM 673 CB VAL A 43 11.305 12.211 1.256 1.00 42.04 C ATOM 674 CG1 VAL A 43 11.961 11.075 2.035 1.00 22.05 C ATOM 675 CG2 VAL A 43 9.841 11.891 0.942 1.00 45.04 C ATOM 0 H VAL A 43 10.991 14.655 0.293 1.00 43.44 H new ATOM 0 HA VAL A 43 10.897 13.465 2.984 1.00 4.14 H new ATOM 0 HB VAL A 43 11.837 12.318 0.310 1.00 42.04 H new ATOM 0 HG11 VAL A 43 11.869 10.147 1.471 1.00 22.05 H new ATOM 0 HG12 VAL A 43 13.016 11.302 2.191 1.00 22.05 H new ATOM 0 HG13 VAL A 43 11.468 10.963 3.000 1.00 22.05 H new ATOM 0 HG21 VAL A 43 9.783 10.949 0.397 1.00 45.04 H new ATOM 0 HG22 VAL A 43 9.279 11.807 1.872 1.00 45.04 H new ATOM 0 HG23 VAL A 43 9.417 12.689 0.333 1.00 45.04 H new ATOM 685 N VAL A 44 13.319 13.653 3.558 1.00 0.41 N ATOM 686 CA VAL A 44 14.721 13.844 3.956 1.00 25.21 C ATOM 687 C VAL A 44 15.334 12.532 4.477 1.00 23.33 C ATOM 688 O VAL A 44 14.626 11.656 4.976 1.00 45.11 O ATOM 689 CB VAL A 44 14.859 14.946 5.041 1.00 4.11 C ATOM 690 CG1 VAL A 44 14.367 16.292 4.508 1.00 22.32 C ATOM 691 CG2 VAL A 44 14.105 14.556 6.313 1.00 32.22 C ATOM 0 H VAL A 44 12.704 13.370 4.321 1.00 0.41 H new ATOM 0 HA VAL A 44 15.263 14.161 3.065 1.00 25.21 H new ATOM 0 HB VAL A 44 15.915 15.045 5.293 1.00 4.11 H new ATOM 0 HG11 VAL A 44 14.472 17.051 5.283 1.00 22.32 H new ATOM 0 HG12 VAL A 44 14.959 16.577 3.638 1.00 22.32 H new ATOM 0 HG13 VAL A 44 13.319 16.209 4.222 1.00 22.32 H new ATOM 0 HG21 VAL A 44 14.217 15.344 7.058 1.00 32.22 H new ATOM 0 HG22 VAL A 44 13.048 14.421 6.083 1.00 32.22 H new ATOM 0 HG23 VAL A 44 14.512 13.624 6.706 1.00 32.22 H new ATOM 701 N ASN A 45 16.656 12.398 4.367 1.00 74.54 N ATOM 702 CA ASN A 45 17.348 11.165 4.771 1.00 12.51 C ATOM 703 C ASN A 45 17.947 11.291 6.189 1.00 23.35 C ATOM 704 O ASN A 45 18.934 10.634 6.525 1.00 14.01 O ATOM 705 CB ASN A 45 18.441 10.834 3.744 1.00 32.21 C ATOM 706 CG ASN A 45 18.940 9.401 3.844 1.00 5.45 C ATOM 707 OD1 ASN A 45 18.398 8.495 3.222 1.00 32.03 O ATOM 708 ND2 ASN A 45 19.977 9.184 4.625 1.00 21.14 N ATOM 0 H ASN A 45 17.272 13.125 4.002 1.00 74.54 H new ATOM 0 HA ASN A 45 16.622 10.352 4.800 1.00 12.51 H new ATOM 0 HB2 ASN A 45 18.053 11.008 2.740 1.00 32.21 H new ATOM 0 HB3 ASN A 45 19.280 11.515 3.883 1.00 32.21 H new ATOM 0 HD21 ASN A 45 20.351 8.240 4.725 1.00 21.14 H new ATOM 0 HD22 ASN A 45 20.406 9.959 5.130 1.00 21.14 H new ATOM 715 N LYS A 46 17.340 12.137 7.020 1.00 63.31 N ATOM 716 CA LYS A 46 17.764 12.293 8.417 1.00 34.04 C ATOM 717 C LYS A 46 16.654 12.945 9.268 1.00 31.23 C ATOM 718 O LYS A 46 16.029 13.921 8.853 1.00 70.33 O ATOM 719 CB LYS A 46 19.075 13.098 8.519 1.00 10.33 C ATOM 720 CG LYS A 46 18.987 14.558 8.073 1.00 43.21 C ATOM 721 CD LYS A 46 18.892 14.726 6.560 1.00 52.22 C ATOM 722 CE LYS A 46 18.917 16.199 6.165 1.00 11.44 C ATOM 723 NZ LYS A 46 20.125 16.902 6.690 1.00 3.12 N ATOM 0 H LYS A 46 16.552 12.727 6.753 1.00 63.31 H new ATOM 0 HA LYS A 46 17.952 11.295 8.814 1.00 34.04 H new ATOM 0 HB2 LYS A 46 19.417 13.072 9.554 1.00 10.33 H new ATOM 0 HB3 LYS A 46 19.836 12.598 7.919 1.00 10.33 H new ATOM 0 HG2 LYS A 46 18.116 15.020 8.538 1.00 43.21 H new ATOM 0 HG3 LYS A 46 19.864 15.094 8.436 1.00 43.21 H new ATOM 0 HD2 LYS A 46 19.721 14.204 6.081 1.00 52.22 H new ATOM 0 HD3 LYS A 46 17.973 14.265 6.197 1.00 52.22 H new ATOM 0 HE2 LYS A 46 18.893 16.283 5.078 1.00 11.44 H new ATOM 0 HE3 LYS A 46 18.020 16.690 6.542 1.00 11.44 H new ATOM 0 HZ1 LYS A 46 20.276 17.780 6.154 1.00 3.12 H new ATOM 0 HZ2 LYS A 46 19.985 17.130 7.695 1.00 3.12 H new ATOM 0 HZ3 LYS A 46 20.957 16.286 6.588 1.00 3.12 H new ATOM 737 N ALA A 47 16.437 12.407 10.469 1.00 4.53 N ATOM 738 CA ALA A 47 15.301 12.804 11.320 1.00 21.04 C ATOM 739 C ALA A 47 15.443 14.226 11.894 1.00 73.11 C ATOM 740 O ALA A 47 14.440 14.878 12.196 1.00 42.32 O ATOM 741 CB ALA A 47 15.134 11.795 12.449 1.00 74.11 C ATOM 0 H ALA A 47 17.034 11.690 10.881 1.00 4.53 H new ATOM 0 HA ALA A 47 14.413 12.814 10.688 1.00 21.04 H new ATOM 0 HB1 ALA A 47 14.294 12.089 13.078 1.00 74.11 H new ATOM 0 HB2 ALA A 47 14.945 10.807 12.029 1.00 74.11 H new ATOM 0 HB3 ALA A 47 16.044 11.766 13.049 1.00 74.11 H new ATOM 747 N GLU A 48 16.688 14.695 12.034 1.00 52.25 N ATOM 748 CA GLU A 48 16.988 16.030 12.597 1.00 71.32 C ATOM 749 C GLU A 48 16.043 17.127 12.071 1.00 61.41 C ATOM 750 O GLU A 48 15.610 18.006 12.820 1.00 35.34 O ATOM 751 CB GLU A 48 18.433 16.418 12.257 1.00 42.30 C ATOM 752 CG GLU A 48 18.711 16.429 10.756 1.00 41.21 C ATOM 753 CD GLU A 48 20.092 16.942 10.382 1.00 23.45 C ATOM 754 OE1 GLU A 48 21.075 16.555 11.044 1.00 24.42 O ATOM 755 OE2 GLU A 48 20.193 17.724 9.408 1.00 63.31 O ATOM 0 H GLU A 48 17.518 14.167 11.763 1.00 52.25 H new ATOM 0 HA GLU A 48 16.845 15.958 13.675 1.00 71.32 H new ATOM 0 HB2 GLU A 48 18.644 17.406 12.667 1.00 42.30 H new ATOM 0 HB3 GLU A 48 19.115 15.719 12.742 1.00 42.30 H new ATOM 0 HG2 GLU A 48 18.595 15.417 10.369 1.00 41.21 H new ATOM 0 HG3 GLU A 48 17.960 17.047 10.263 1.00 41.21 H new ATOM 762 N LYS A 49 15.739 17.076 10.777 1.00 64.44 N ATOM 763 CA LYS A 49 14.897 18.087 10.137 1.00 1.24 C ATOM 764 C LYS A 49 13.656 17.451 9.493 1.00 22.42 C ATOM 765 O LYS A 49 13.511 17.428 8.271 1.00 72.33 O ATOM 766 CB LYS A 49 15.713 18.876 9.099 1.00 22.30 C ATOM 767 CG LYS A 49 16.878 19.658 9.708 1.00 3.20 C ATOM 768 CD LYS A 49 17.734 20.344 8.645 1.00 53.34 C ATOM 769 CE LYS A 49 18.863 21.158 9.269 1.00 25.52 C ATOM 770 NZ LYS A 49 19.753 20.317 10.116 1.00 44.03 N ATOM 0 H LYS A 49 16.064 16.342 10.147 1.00 64.44 H new ATOM 0 HA LYS A 49 14.549 18.779 10.904 1.00 1.24 H new ATOM 0 HB2 LYS A 49 16.101 18.184 8.351 1.00 22.30 H new ATOM 0 HB3 LYS A 49 15.052 19.570 8.579 1.00 22.30 H new ATOM 0 HG2 LYS A 49 16.489 20.407 10.397 1.00 3.20 H new ATOM 0 HG3 LYS A 49 17.501 18.981 10.292 1.00 3.20 H new ATOM 0 HD2 LYS A 49 18.154 19.593 7.975 1.00 53.34 H new ATOM 0 HD3 LYS A 49 17.107 20.997 8.038 1.00 53.34 H new ATOM 0 HE2 LYS A 49 19.451 21.628 8.480 1.00 25.52 H new ATOM 0 HE3 LYS A 49 18.440 21.961 9.873 1.00 25.52 H new ATOM 0 HZ1 LYS A 49 20.620 20.846 10.341 1.00 44.03 H new ATOM 0 HZ2 LYS A 49 19.260 20.069 10.998 1.00 44.03 H new ATOM 0 HZ3 LYS A 49 20.001 19.448 9.602 1.00 44.03 H new ATOM 784 N SER A 50 12.780 16.919 10.339 1.00 44.53 N ATOM 785 CA SER A 50 11.513 16.327 9.891 1.00 1.43 C ATOM 786 C SER A 50 10.478 16.377 11.018 1.00 52.40 C ATOM 787 O SER A 50 10.806 16.148 12.182 1.00 32.42 O ATOM 788 CB SER A 50 11.715 14.873 9.441 1.00 74.14 C ATOM 789 OG SER A 50 12.134 14.049 10.519 1.00 63.22 O ATOM 0 H SER A 50 12.921 16.883 11.349 1.00 44.53 H new ATOM 0 HA SER A 50 11.152 16.907 9.042 1.00 1.43 H new ATOM 0 HB2 SER A 50 10.784 14.486 9.026 1.00 74.14 H new ATOM 0 HB3 SER A 50 12.458 14.837 8.644 1.00 74.14 H new ATOM 0 HG SER A 50 12.912 14.454 10.957 1.00 63.22 H new ATOM 795 N GLU A 51 9.232 16.699 10.681 1.00 30.30 N ATOM 796 CA GLU A 51 8.163 16.796 11.688 1.00 74.33 C ATOM 797 C GLU A 51 7.332 15.501 11.770 1.00 33.45 C ATOM 798 O GLU A 51 6.340 15.439 12.501 1.00 20.33 O ATOM 799 CB GLU A 51 7.237 17.994 11.394 1.00 14.54 C ATOM 800 CG GLU A 51 7.880 19.369 11.604 1.00 22.14 C ATOM 801 CD GLU A 51 8.945 19.706 10.567 1.00 63.42 C ATOM 802 OE1 GLU A 51 8.575 20.015 9.417 1.00 52.12 O ATOM 803 OE2 GLU A 51 10.155 19.673 10.905 1.00 53.12 O ATOM 0 H GLU A 51 8.932 16.897 9.726 1.00 30.30 H new ATOM 0 HA GLU A 51 8.648 16.948 12.652 1.00 74.33 H new ATOM 0 HB2 GLU A 51 6.891 17.924 10.363 1.00 14.54 H new ATOM 0 HB3 GLU A 51 6.356 17.919 12.031 1.00 14.54 H new ATOM 0 HG2 GLU A 51 7.103 20.133 11.577 1.00 22.14 H new ATOM 0 HG3 GLU A 51 8.327 19.404 12.597 1.00 22.14 H new ATOM 810 N ALA A 52 7.744 14.471 11.029 1.00 73.21 N ATOM 811 CA ALA A 52 7.034 13.185 11.020 1.00 61.34 C ATOM 812 C ALA A 52 7.967 12.018 10.666 1.00 45.44 C ATOM 813 O ALA A 52 8.619 12.024 9.618 1.00 13.12 O ATOM 814 CB ALA A 52 5.861 13.237 10.047 1.00 65.42 C ATOM 0 H ALA A 52 8.566 14.500 10.426 1.00 73.21 H new ATOM 0 HA ALA A 52 6.658 13.010 12.028 1.00 61.34 H new ATOM 0 HB1 ALA A 52 5.343 12.278 10.050 1.00 65.42 H new ATOM 0 HB2 ALA A 52 5.170 14.023 10.352 1.00 65.42 H new ATOM 0 HB3 ALA A 52 6.230 13.447 9.043 1.00 65.42 H new ATOM 820 N ILE A 53 8.021 11.021 11.545 1.00 2.53 N ATOM 821 CA ILE A 53 8.866 9.838 11.341 1.00 30.42 C ATOM 822 C ILE A 53 8.018 8.625 10.917 1.00 65.10 C ATOM 823 O ILE A 53 7.237 8.092 11.707 1.00 65.13 O ATOM 824 CB ILE A 53 9.651 9.489 12.631 1.00 43.24 C ATOM 825 CG1 ILE A 53 10.485 10.695 13.098 1.00 4.22 C ATOM 826 CG2 ILE A 53 10.544 8.265 12.421 1.00 11.31 C ATOM 827 CD1 ILE A 53 11.496 11.186 12.081 1.00 61.22 C ATOM 0 H ILE A 53 7.486 11.005 12.414 1.00 2.53 H new ATOM 0 HA ILE A 53 9.574 10.075 10.547 1.00 30.42 H new ATOM 0 HB ILE A 53 8.928 9.245 13.409 1.00 43.24 H new ATOM 0 HG12 ILE A 53 9.810 11.514 13.347 1.00 4.22 H new ATOM 0 HG13 ILE A 53 11.010 10.426 14.014 1.00 4.22 H new ATOM 0 HG21 ILE A 53 11.082 8.045 13.343 1.00 11.31 H new ATOM 0 HG22 ILE A 53 9.928 7.408 12.146 1.00 11.31 H new ATOM 0 HG23 ILE A 53 11.259 8.469 11.624 1.00 11.31 H new ATOM 0 HD11 ILE A 53 12.040 12.037 12.491 1.00 61.22 H new ATOM 0 HD12 ILE A 53 12.197 10.385 11.849 1.00 61.22 H new ATOM 0 HD13 ILE A 53 10.979 11.490 11.171 1.00 61.22 H new ATOM 839 N ILE A 54 8.173 8.192 9.668 1.00 2.34 N ATOM 840 CA ILE A 54 7.392 7.069 9.135 1.00 52.45 C ATOM 841 C ILE A 54 8.174 5.744 9.210 1.00 20.02 C ATOM 842 O ILE A 54 9.156 5.547 8.494 1.00 40.11 O ATOM 843 CB ILE A 54 6.971 7.329 7.664 1.00 35.15 C ATOM 844 CG1 ILE A 54 6.182 8.646 7.560 1.00 73.51 C ATOM 845 CG2 ILE A 54 6.145 6.157 7.127 1.00 44.43 C ATOM 846 CD1 ILE A 54 5.756 8.998 6.148 1.00 43.51 C ATOM 0 H ILE A 54 8.831 8.599 9.003 1.00 2.34 H new ATOM 0 HA ILE A 54 6.501 6.985 9.757 1.00 52.45 H new ATOM 0 HB ILE A 54 7.870 7.418 7.054 1.00 35.15 H new ATOM 0 HG12 ILE A 54 5.295 8.577 8.190 1.00 73.51 H new ATOM 0 HG13 ILE A 54 6.793 9.456 7.957 1.00 73.51 H new ATOM 0 HG21 ILE A 54 5.859 6.357 6.094 1.00 44.43 H new ATOM 0 HG22 ILE A 54 6.739 5.244 7.169 1.00 44.43 H new ATOM 0 HG23 ILE A 54 5.249 6.035 7.735 1.00 44.43 H new ATOM 0 HD11 ILE A 54 5.205 9.939 6.158 1.00 43.51 H new ATOM 0 HD12 ILE A 54 6.639 9.101 5.517 1.00 43.51 H new ATOM 0 HD13 ILE A 54 5.117 8.208 5.753 1.00 43.51 H new ATOM 858 N GLN A 55 7.738 4.841 10.087 1.00 44.12 N ATOM 859 CA GLN A 55 8.375 3.523 10.226 1.00 50.53 C ATOM 860 C GLN A 55 7.461 2.429 9.649 1.00 3.24 C ATOM 861 O GLN A 55 6.465 2.058 10.270 1.00 44.13 O ATOM 862 CB GLN A 55 8.676 3.238 11.714 1.00 71.54 C ATOM 863 CG GLN A 55 9.780 2.200 11.966 1.00 33.43 C ATOM 864 CD GLN A 55 9.437 0.778 11.533 1.00 75.12 C ATOM 865 OE1 GLN A 55 8.179 0.402 11.615 1.00 31.22 O flip ATOM 866 NE2 GLN A 55 10.308 0.014 11.140 1.00 3.54 N flip ATOM 0 H GLN A 55 6.947 4.993 10.713 1.00 44.12 H new ATOM 0 HA GLN A 55 9.313 3.522 9.670 1.00 50.53 H new ATOM 0 HB2 GLN A 55 8.960 4.173 12.197 1.00 71.54 H new ATOM 0 HB3 GLN A 55 7.760 2.896 12.195 1.00 71.54 H new ATOM 0 HG2 GLN A 55 10.682 2.516 11.442 1.00 33.43 H new ATOM 0 HG3 GLN A 55 10.016 2.193 13.030 1.00 33.43 H new ATOM 0 HE21 GLN A 55 11.276 0.329 11.085 1.00 3.54 H new ATOM 0 HE22 GLN A 55 10.066 -0.938 10.867 1.00 3.54 H new ATOM 875 N ILE A 56 7.790 1.918 8.465 1.00 72.11 N ATOM 876 CA ILE A 56 6.995 0.849 7.847 1.00 41.32 C ATOM 877 C ILE A 56 7.447 -0.521 8.389 1.00 23.44 C ATOM 878 O ILE A 56 8.636 -0.828 8.419 1.00 11.35 O ATOM 879 CB ILE A 56 7.081 0.913 6.288 1.00 65.22 C ATOM 880 CG1 ILE A 56 6.011 0.019 5.612 1.00 22.41 C ATOM 881 CG2 ILE A 56 8.483 0.557 5.795 1.00 54.23 C ATOM 882 CD1 ILE A 56 6.318 -1.467 5.608 1.00 64.25 C ATOM 0 H ILE A 56 8.594 2.221 7.915 1.00 72.11 H new ATOM 0 HA ILE A 56 5.947 0.990 8.112 1.00 41.32 H new ATOM 0 HB ILE A 56 6.873 1.943 5.999 1.00 65.22 H new ATOM 0 HG12 ILE A 56 5.058 0.175 6.118 1.00 22.41 H new ATOM 0 HG13 ILE A 56 5.883 0.350 4.581 1.00 22.41 H new ATOM 0 HG21 ILE A 56 8.510 0.611 4.707 1.00 54.23 H new ATOM 0 HG22 ILE A 56 9.204 1.260 6.211 1.00 54.23 H new ATOM 0 HG23 ILE A 56 8.735 -0.454 6.115 1.00 54.23 H new ATOM 0 HD11 ILE A 56 5.509 -2.004 5.113 1.00 64.25 H new ATOM 0 HD12 ILE A 56 7.252 -1.644 5.074 1.00 64.25 H new ATOM 0 HD13 ILE A 56 6.414 -1.821 6.634 1.00 64.25 H new ATOM 894 N VAL A 57 6.490 -1.332 8.841 1.00 34.24 N ATOM 895 CA VAL A 57 6.803 -2.605 9.508 1.00 65.01 C ATOM 896 C VAL A 57 6.868 -3.784 8.517 1.00 44.35 C ATOM 897 O VAL A 57 7.900 -4.441 8.391 1.00 53.42 O ATOM 898 CB VAL A 57 5.765 -2.924 10.612 1.00 13.41 C ATOM 899 CG1 VAL A 57 6.166 -4.177 11.388 1.00 71.10 C ATOM 900 CG2 VAL A 57 5.587 -1.728 11.548 1.00 60.15 C ATOM 0 H VAL A 57 5.493 -1.134 8.760 1.00 34.24 H new ATOM 0 HA VAL A 57 7.788 -2.482 9.957 1.00 65.01 H new ATOM 0 HB VAL A 57 4.806 -3.121 10.133 1.00 13.41 H new ATOM 0 HG11 VAL A 57 5.422 -4.382 12.158 1.00 71.10 H new ATOM 0 HG12 VAL A 57 6.224 -5.025 10.705 1.00 71.10 H new ATOM 0 HG13 VAL A 57 7.138 -4.020 11.855 1.00 71.10 H new ATOM 0 HG21 VAL A 57 4.854 -1.973 12.316 1.00 60.15 H new ATOM 0 HG22 VAL A 57 6.540 -1.490 12.019 1.00 60.15 H new ATOM 0 HG23 VAL A 57 5.240 -0.867 10.976 1.00 60.15 H new ATOM 910 N HIS A 58 5.760 -4.051 7.818 1.00 12.35 N ATOM 911 CA HIS A 58 5.693 -5.186 6.882 1.00 71.24 C ATOM 912 C HIS A 58 4.588 -4.995 5.825 1.00 33.04 C ATOM 913 O HIS A 58 3.530 -4.431 6.111 1.00 2.20 O ATOM 914 CB HIS A 58 5.486 -6.510 7.647 1.00 23.41 C ATOM 915 CG HIS A 58 4.249 -6.558 8.498 1.00 71.10 C ATOM 916 ND1 HIS A 58 3.390 -7.635 8.521 1.00 13.21 N ATOM 917 CD2 HIS A 58 3.738 -5.664 9.376 1.00 3.12 C ATOM 918 CE1 HIS A 58 2.410 -7.400 9.369 1.00 62.22 C ATOM 919 NE2 HIS A 58 2.597 -6.214 9.901 1.00 65.21 N ATOM 0 H HIS A 58 4.902 -3.503 7.879 1.00 12.35 H new ATOM 0 HA HIS A 58 6.646 -5.229 6.355 1.00 71.24 H new ATOM 0 HB2 HIS A 58 5.447 -7.327 6.927 1.00 23.41 H new ATOM 0 HB3 HIS A 58 6.354 -6.686 8.282 1.00 23.41 H new ATOM 0 HD2 HIS A 58 4.152 -4.696 9.618 1.00 3.12 H new ATOM 0 HE1 HIS A 58 1.591 -8.069 9.589 1.00 62.22 H new ATOM 0 HE2 HIS A 58 1.991 -5.773 10.593 1.00 65.21 H new ATOM 928 N ALA A 59 4.849 -5.472 4.609 1.00 51.25 N ATOM 929 CA ALA A 59 3.898 -5.359 3.494 1.00 5.21 C ATOM 930 C ALA A 59 3.883 -6.649 2.654 1.00 61.12 C ATOM 931 O ALA A 59 4.780 -6.883 1.844 1.00 51.33 O ATOM 932 CB ALA A 59 4.247 -4.154 2.621 1.00 13.43 C ATOM 0 H ALA A 59 5.719 -5.946 4.365 1.00 51.25 H new ATOM 0 HA ALA A 59 2.900 -5.213 3.907 1.00 5.21 H new ATOM 0 HB1 ALA A 59 3.535 -4.082 1.799 1.00 13.43 H new ATOM 0 HB2 ALA A 59 4.202 -3.245 3.221 1.00 13.43 H new ATOM 0 HB3 ALA A 59 5.253 -4.275 2.220 1.00 13.43 H new ATOM 938 N ILE A 60 2.861 -7.485 2.847 1.00 4.04 N ATOM 939 CA ILE A 60 2.807 -8.812 2.209 1.00 52.03 C ATOM 940 C ILE A 60 1.796 -8.851 1.053 1.00 21.12 C ATOM 941 O ILE A 60 0.637 -8.480 1.219 1.00 23.11 O ATOM 942 CB ILE A 60 2.426 -9.928 3.225 1.00 5.53 C ATOM 943 CG1 ILE A 60 3.357 -9.924 4.454 1.00 31.24 C ATOM 944 CG2 ILE A 60 2.453 -11.298 2.546 1.00 73.40 C ATOM 945 CD1 ILE A 60 3.077 -8.810 5.445 1.00 73.13 C ATOM 0 H ILE A 60 2.058 -7.272 3.438 1.00 4.04 H new ATOM 0 HA ILE A 60 3.810 -8.995 1.823 1.00 52.03 H new ATOM 0 HB ILE A 60 1.414 -9.722 3.575 1.00 5.53 H new ATOM 0 HG12 ILE A 60 3.267 -10.882 4.967 1.00 31.24 H new ATOM 0 HG13 ILE A 60 4.389 -9.841 4.113 1.00 31.24 H new ATOM 0 HG21 ILE A 60 2.184 -12.068 3.269 1.00 73.40 H new ATOM 0 HG22 ILE A 60 1.740 -11.310 1.722 1.00 73.40 H new ATOM 0 HG23 ILE A 60 3.454 -11.494 2.162 1.00 73.40 H new ATOM 0 HD11 ILE A 60 3.776 -8.880 6.278 1.00 73.13 H new ATOM 0 HD12 ILE A 60 3.196 -7.845 4.952 1.00 73.13 H new ATOM 0 HD13 ILE A 60 2.057 -8.903 5.818 1.00 73.13 H new ATOM 957 N ARG A 61 2.235 -9.324 -0.113 1.00 11.02 N ATOM 958 CA ARG A 61 1.350 -9.476 -1.275 1.00 32.00 C ATOM 959 C ARG A 61 1.222 -10.956 -1.680 1.00 53.24 C ATOM 960 O ARG A 61 2.209 -11.607 -2.029 1.00 60.03 O ATOM 961 CB ARG A 61 1.863 -8.622 -2.451 1.00 33.54 C ATOM 962 CG ARG A 61 3.284 -8.951 -2.907 1.00 50.14 C ATOM 963 CD ARG A 61 3.812 -7.921 -3.905 1.00 33.44 C ATOM 964 NE ARG A 61 4.001 -6.607 -3.288 1.00 73.41 N ATOM 965 CZ ARG A 61 4.584 -5.592 -3.870 1.00 4.03 C ATOM 966 NH1 ARG A 61 5.032 -5.693 -5.080 1.00 65.43 N ATOM 967 NH2 ARG A 61 4.725 -4.477 -3.226 1.00 15.23 N ATOM 0 H ARG A 61 3.200 -9.610 -0.281 1.00 11.02 H new ATOM 0 HA ARG A 61 0.356 -9.122 -1.001 1.00 32.00 H new ATOM 0 HB2 ARG A 61 1.186 -8.748 -3.296 1.00 33.54 H new ATOM 0 HB3 ARG A 61 1.822 -7.571 -2.164 1.00 33.54 H new ATOM 0 HG2 ARG A 61 3.944 -8.989 -2.041 1.00 50.14 H new ATOM 0 HG3 ARG A 61 3.299 -9.941 -3.363 1.00 50.14 H new ATOM 0 HD2 ARG A 61 4.760 -8.268 -4.317 1.00 33.44 H new ATOM 0 HD3 ARG A 61 3.115 -7.833 -4.739 1.00 33.44 H new ATOM 0 HE ARG A 61 3.654 -6.474 -2.338 1.00 73.41 H new ATOM 0 HH11 ARG A 61 4.932 -6.571 -5.589 1.00 65.43 H new ATOM 0 HH12 ARG A 61 5.485 -4.895 -5.524 1.00 65.43 H new ATOM 0 HH21 ARG A 61 4.382 -4.394 -2.269 1.00 15.23 H new ATOM 0 HH22 ARG A 61 5.179 -3.682 -3.676 1.00 15.23 H new ATOM 981 N GLU A 62 0.002 -11.488 -1.615 1.00 33.33 N ATOM 982 CA GLU A 62 -0.249 -12.906 -1.906 1.00 30.40 C ATOM 983 C GLU A 62 -1.442 -13.098 -2.852 1.00 71.04 C ATOM 984 O GLU A 62 -2.220 -12.176 -3.096 1.00 74.41 O ATOM 985 CB GLU A 62 -0.505 -13.682 -0.607 1.00 45.25 C ATOM 986 CG GLU A 62 0.706 -13.777 0.316 1.00 55.11 C ATOM 987 CD GLU A 62 0.437 -14.644 1.534 1.00 30.35 C ATOM 988 OE1 GLU A 62 0.241 -15.865 1.360 1.00 5.21 O ATOM 989 OE2 GLU A 62 0.411 -14.111 2.664 1.00 74.45 O ATOM 0 H GLU A 62 -0.833 -10.959 -1.363 1.00 33.33 H new ATOM 0 HA GLU A 62 0.643 -13.292 -2.400 1.00 30.40 H new ATOM 0 HB2 GLU A 62 -1.322 -13.204 -0.067 1.00 45.25 H new ATOM 0 HB3 GLU A 62 -0.836 -14.690 -0.859 1.00 45.25 H new ATOM 0 HG2 GLU A 62 1.551 -14.185 -0.238 1.00 55.11 H new ATOM 0 HG3 GLU A 62 0.991 -12.777 0.641 1.00 55.11 H new ATOM 996 N LYS A 63 -1.586 -14.318 -3.364 1.00 73.15 N ATOM 997 CA LYS A 63 -2.683 -14.656 -4.273 1.00 55.33 C ATOM 998 C LYS A 63 -3.141 -16.115 -4.091 1.00 62.44 C ATOM 999 O LYS A 63 -2.392 -17.057 -4.359 1.00 12.02 O ATOM 1000 CB LYS A 63 -2.261 -14.394 -5.729 1.00 72.01 C ATOM 1001 CG LYS A 63 -0.968 -15.094 -6.150 1.00 43.40 C ATOM 1002 CD LYS A 63 -0.556 -14.723 -7.574 1.00 75.12 C ATOM 1003 CE LYS A 63 -1.610 -15.129 -8.599 1.00 11.12 C ATOM 1004 NZ LYS A 63 -1.220 -14.752 -9.985 1.00 1.43 N ATOM 0 H LYS A 63 -0.954 -15.094 -3.165 1.00 73.15 H new ATOM 0 HA LYS A 63 -3.532 -14.017 -4.030 1.00 55.33 H new ATOM 0 HB2 LYS A 63 -3.065 -14.715 -6.391 1.00 72.01 H new ATOM 0 HB3 LYS A 63 -2.141 -13.320 -5.872 1.00 72.01 H new ATOM 0 HG2 LYS A 63 -0.169 -14.826 -5.459 1.00 43.40 H new ATOM 0 HG3 LYS A 63 -1.100 -16.174 -6.080 1.00 43.40 H new ATOM 0 HD2 LYS A 63 -0.388 -13.648 -7.634 1.00 75.12 H new ATOM 0 HD3 LYS A 63 0.390 -15.208 -7.815 1.00 75.12 H new ATOM 0 HE2 LYS A 63 -1.768 -16.206 -8.548 1.00 11.12 H new ATOM 0 HE3 LYS A 63 -2.559 -14.655 -8.349 1.00 11.12 H new ATOM 0 HZ1 LYS A 63 -1.923 -15.121 -10.656 1.00 1.43 H new ATOM 0 HZ2 LYS A 63 -1.177 -13.716 -10.064 1.00 1.43 H new ATOM 0 HZ3 LYS A 63 -0.287 -15.155 -10.205 1.00 1.43 H new ATOM 1018 N ARG A 64 -4.372 -16.297 -3.615 1.00 30.10 N ATOM 1019 CA ARG A 64 -4.934 -17.640 -3.390 1.00 33.42 C ATOM 1020 C ARG A 64 -6.227 -17.843 -4.202 1.00 44.11 C ATOM 1021 O ARG A 64 -6.617 -16.982 -4.985 1.00 35.11 O ATOM 1022 CB ARG A 64 -5.231 -17.868 -1.897 1.00 40.42 C ATOM 1023 CG ARG A 64 -4.031 -17.699 -0.961 1.00 2.23 C ATOM 1024 CD ARG A 64 -3.837 -16.252 -0.518 1.00 11.23 C ATOM 1025 NE ARG A 64 -2.856 -16.143 0.562 1.00 74.40 N ATOM 1026 CZ ARG A 64 -3.165 -16.057 1.831 1.00 41.41 C ATOM 1027 NH1 ARG A 64 -4.403 -16.082 2.217 1.00 4.53 N ATOM 1028 NH2 ARG A 64 -2.227 -15.964 2.713 1.00 4.44 N ATOM 0 H ARG A 64 -5.005 -15.534 -3.376 1.00 30.10 H new ATOM 0 HA ARG A 64 -4.189 -18.363 -3.722 1.00 33.42 H new ATOM 0 HB2 ARG A 64 -6.013 -17.174 -1.588 1.00 40.42 H new ATOM 0 HB3 ARG A 64 -5.630 -18.874 -1.772 1.00 40.42 H new ATOM 0 HG2 ARG A 64 -4.167 -18.330 -0.083 1.00 2.23 H new ATOM 0 HG3 ARG A 64 -3.129 -18.046 -1.465 1.00 2.23 H new ATOM 0 HD2 ARG A 64 -3.511 -15.652 -1.368 1.00 11.23 H new ATOM 0 HD3 ARG A 64 -4.791 -15.842 -0.186 1.00 11.23 H new ATOM 0 HE ARG A 64 -1.868 -16.133 0.310 1.00 74.40 H new ATOM 0 HH11 ARG A 64 -5.150 -16.170 1.528 1.00 4.53 H new ATOM 0 HH12 ARG A 64 -4.629 -16.014 3.209 1.00 4.53 H new ATOM 0 HH21 ARG A 64 -1.250 -15.958 2.420 1.00 4.44 H new ATOM 0 HH22 ARG A 64 -2.463 -15.897 3.703 1.00 4.44 H new ATOM 1042 N ILE A 65 -6.891 -18.984 -4.017 1.00 55.42 N ATOM 1043 CA ILE A 65 -8.157 -19.259 -4.712 1.00 45.42 C ATOM 1044 C ILE A 65 -9.355 -18.874 -3.820 1.00 62.12 C ATOM 1045 O ILE A 65 -9.328 -19.078 -2.604 1.00 1.14 O ATOM 1046 CB ILE A 65 -8.251 -20.760 -5.148 1.00 11.22 C ATOM 1047 CG1 ILE A 65 -8.738 -20.882 -6.607 1.00 55.55 C ATOM 1048 CG2 ILE A 65 -9.161 -21.570 -4.218 1.00 42.44 C ATOM 1049 CD1 ILE A 65 -10.112 -20.295 -6.862 1.00 22.01 C ATOM 0 H ILE A 65 -6.579 -19.731 -3.397 1.00 55.42 H new ATOM 0 HA ILE A 65 -8.186 -18.649 -5.615 1.00 45.42 H new ATOM 0 HB ILE A 65 -7.246 -21.175 -5.077 1.00 11.22 H new ATOM 0 HG12 ILE A 65 -8.019 -20.387 -7.259 1.00 55.55 H new ATOM 0 HG13 ILE A 65 -8.749 -21.936 -6.886 1.00 55.55 H new ATOM 0 HG21 ILE A 65 -9.198 -22.605 -4.556 1.00 42.44 H new ATOM 0 HG22 ILE A 65 -8.768 -21.534 -3.202 1.00 42.44 H new ATOM 0 HG23 ILE A 65 -10.166 -21.147 -4.233 1.00 42.44 H new ATOM 0 HD11 ILE A 65 -10.374 -20.425 -7.912 1.00 22.01 H new ATOM 0 HD12 ILE A 65 -10.847 -20.805 -6.239 1.00 22.01 H new ATOM 0 HD13 ILE A 65 -10.105 -19.233 -6.618 1.00 22.01 H new ATOM 1061 N LEU A 66 -10.395 -18.295 -4.416 1.00 24.42 N ATOM 1062 CA LEU A 66 -11.585 -17.886 -3.660 1.00 65.04 C ATOM 1063 C LEU A 66 -12.830 -18.692 -4.076 1.00 22.22 C ATOM 1064 O LEU A 66 -13.412 -19.420 -3.269 1.00 2.42 O ATOM 1065 CB LEU A 66 -11.832 -16.384 -3.856 1.00 63.52 C ATOM 1066 CG LEU A 66 -12.977 -15.787 -3.022 1.00 34.04 C ATOM 1067 CD1 LEU A 66 -12.720 -15.981 -1.528 1.00 12.12 C ATOM 1068 CD2 LEU A 66 -13.164 -14.308 -3.352 1.00 42.53 C ATOM 0 H LEU A 66 -10.442 -18.097 -5.416 1.00 24.42 H new ATOM 0 HA LEU A 66 -11.402 -18.090 -2.605 1.00 65.04 H new ATOM 0 HB2 LEU A 66 -10.914 -15.848 -3.616 1.00 63.52 H new ATOM 0 HB3 LEU A 66 -12.041 -16.202 -4.910 1.00 63.52 H new ATOM 0 HG LEU A 66 -13.896 -16.314 -3.277 1.00 34.04 H new ATOM 0 HD11 LEU A 66 -13.544 -15.551 -0.958 1.00 12.12 H new ATOM 0 HD12 LEU A 66 -12.643 -17.046 -1.307 1.00 12.12 H new ATOM 0 HD13 LEU A 66 -11.789 -15.485 -1.252 1.00 12.12 H new ATOM 0 HD21 LEU A 66 -13.979 -13.902 -2.753 1.00 42.53 H new ATOM 0 HD22 LEU A 66 -12.245 -13.766 -3.130 1.00 42.53 H new ATOM 0 HD23 LEU A 66 -13.403 -14.199 -4.410 1.00 42.53 H new ATOM 1080 N SER A 67 -13.223 -18.573 -5.343 1.00 42.35 N ATOM 1081 CA SER A 67 -14.447 -19.227 -5.845 1.00 45.24 C ATOM 1082 C SER A 67 -14.125 -20.333 -6.856 1.00 64.11 C ATOM 1083 O SER A 67 -13.340 -20.131 -7.786 1.00 33.04 O ATOM 1084 CB SER A 67 -15.385 -18.196 -6.491 1.00 33.41 C ATOM 1085 OG SER A 67 -15.778 -17.200 -5.559 1.00 12.12 O ATOM 0 H SER A 67 -12.718 -18.033 -6.045 1.00 42.35 H new ATOM 0 HA SER A 67 -14.944 -19.682 -4.988 1.00 45.24 H new ATOM 0 HB2 SER A 67 -14.885 -17.727 -7.338 1.00 33.41 H new ATOM 0 HB3 SER A 67 -16.269 -18.700 -6.882 1.00 33.41 H new ATOM 0 HG SER A 67 -15.935 -16.355 -6.030 1.00 12.12 H new ATOM 1091 N LEU A 68 -14.746 -21.497 -6.674 1.00 63.03 N ATOM 1092 CA LEU A 68 -14.506 -22.660 -7.541 1.00 61.55 C ATOM 1093 C LEU A 68 -15.713 -22.962 -8.448 1.00 33.43 C ATOM 1094 O LEU A 68 -16.819 -22.462 -8.227 1.00 72.54 O ATOM 1095 CB LEU A 68 -14.199 -23.898 -6.681 1.00 5.54 C ATOM 1096 CG LEU A 68 -12.972 -23.784 -5.759 1.00 42.24 C ATOM 1097 CD1 LEU A 68 -12.838 -25.033 -4.888 1.00 63.40 C ATOM 1098 CD2 LEU A 68 -11.700 -23.556 -6.578 1.00 15.40 C ATOM 0 H LEU A 68 -15.424 -21.665 -5.931 1.00 63.03 H new ATOM 0 HA LEU A 68 -13.655 -22.421 -8.178 1.00 61.55 H new ATOM 0 HB2 LEU A 68 -15.073 -24.116 -6.067 1.00 5.54 H new ATOM 0 HB3 LEU A 68 -14.054 -24.751 -7.344 1.00 5.54 H new ATOM 0 HG LEU A 68 -13.113 -22.924 -5.105 1.00 42.24 H new ATOM 0 HD11 LEU A 68 -11.965 -24.935 -4.243 1.00 63.40 H new ATOM 0 HD12 LEU A 68 -13.732 -25.146 -4.275 1.00 63.40 H new ATOM 0 HD13 LEU A 68 -12.721 -25.910 -5.525 1.00 63.40 H new ATOM 0 HD21 LEU A 68 -10.844 -23.478 -5.907 1.00 15.40 H new ATOM 0 HD22 LEU A 68 -11.551 -24.393 -7.260 1.00 15.40 H new ATOM 0 HD23 LEU A 68 -11.797 -22.634 -7.151 1.00 15.40 H new ATOM 1110 N SER A 69 -15.481 -23.780 -9.473 1.00 53.55 N ATOM 1111 CA SER A 69 -16.556 -24.281 -10.348 1.00 14.11 C ATOM 1112 C SER A 69 -16.775 -25.776 -10.118 1.00 2.12 C ATOM 1113 O SER A 69 -15.831 -26.564 -10.208 1.00 33.20 O ATOM 1114 CB SER A 69 -16.220 -24.060 -11.830 1.00 74.11 C ATOM 1115 OG SER A 69 -16.086 -22.688 -12.144 1.00 23.32 O ATOM 0 H SER A 69 -14.552 -24.116 -9.725 1.00 53.55 H new ATOM 0 HA SER A 69 -17.460 -23.726 -10.100 1.00 14.11 H new ATOM 0 HB2 SER A 69 -15.293 -24.580 -12.073 1.00 74.11 H new ATOM 0 HB3 SER A 69 -17.003 -24.499 -12.449 1.00 74.11 H new ATOM 0 HG SER A 69 -15.871 -22.590 -13.095 1.00 23.32 H new ATOM 1121 N GLU A 70 -18.011 -26.162 -9.804 1.00 53.54 N ATOM 1122 CA GLU A 70 -18.367 -27.579 -9.630 1.00 24.00 C ATOM 1123 C GLU A 70 -17.551 -28.224 -8.487 1.00 41.41 C ATOM 1124 O GLU A 70 -17.376 -29.445 -8.437 1.00 3.34 O ATOM 1125 CB GLU A 70 -18.144 -28.330 -10.958 1.00 41.33 C ATOM 1126 CG GLU A 70 -18.794 -29.709 -11.027 1.00 50.24 C ATOM 1127 CD GLU A 70 -18.471 -30.443 -12.319 1.00 33.23 C ATOM 1128 OE1 GLU A 70 -18.851 -29.950 -13.404 1.00 41.24 O ATOM 1129 OE2 GLU A 70 -17.835 -31.515 -12.262 1.00 44.25 O ATOM 0 H GLU A 70 -18.787 -25.516 -9.664 1.00 53.54 H new ATOM 0 HA GLU A 70 -19.419 -27.646 -9.354 1.00 24.00 H new ATOM 0 HB2 GLU A 70 -18.531 -27.720 -11.774 1.00 41.33 H new ATOM 0 HB3 GLU A 70 -17.072 -28.440 -11.122 1.00 41.33 H new ATOM 0 HG2 GLU A 70 -18.459 -30.307 -10.180 1.00 50.24 H new ATOM 0 HG3 GLU A 70 -19.875 -29.602 -10.934 1.00 50.24 H new ATOM 1136 N SER A 71 -17.080 -27.388 -7.557 1.00 34.13 N ATOM 1137 CA SER A 71 -16.239 -27.832 -6.431 1.00 41.52 C ATOM 1138 C SER A 71 -14.900 -28.424 -6.904 1.00 22.12 C ATOM 1139 O SER A 71 -14.290 -29.238 -6.204 1.00 63.43 O ATOM 1140 CB SER A 71 -16.984 -28.864 -5.565 1.00 72.52 C ATOM 1141 OG SER A 71 -18.182 -28.325 -5.029 1.00 53.25 O ATOM 0 H SER A 71 -17.268 -26.385 -7.559 1.00 34.13 H new ATOM 0 HA SER A 71 -16.023 -26.947 -5.833 1.00 41.52 H new ATOM 0 HB2 SER A 71 -17.216 -29.744 -6.165 1.00 72.52 H new ATOM 0 HB3 SER A 71 -16.337 -29.194 -4.752 1.00 72.52 H new ATOM 0 HG SER A 71 -18.632 -29.005 -4.486 1.00 53.25 H new ATOM 1147 N GLY A 72 -14.429 -27.997 -8.076 1.00 42.40 N ATOM 1148 CA GLY A 72 -13.174 -28.524 -8.613 1.00 33.12 C ATOM 1149 C GLY A 72 -12.402 -27.517 -9.464 1.00 51.52 C ATOM 1150 O GLY A 72 -11.211 -27.291 -9.243 1.00 21.12 O ATOM 0 H GLY A 72 -14.888 -27.300 -8.663 1.00 42.40 H new ATOM 0 HA2 GLY A 72 -12.542 -28.848 -7.786 1.00 33.12 H new ATOM 0 HA3 GLY A 72 -13.388 -29.407 -9.215 1.00 33.12 H new ATOM 1154 N ARG A 73 -13.076 -26.917 -10.444 1.00 15.14 N ATOM 1155 CA ARG A 73 -12.443 -25.943 -11.347 1.00 3.20 C ATOM 1156 C ARG A 73 -12.293 -24.560 -10.678 1.00 43.13 C ATOM 1157 O ARG A 73 -12.723 -24.360 -9.544 1.00 22.32 O ATOM 1158 CB ARG A 73 -13.266 -25.824 -12.638 1.00 72.03 C ATOM 1159 CG ARG A 73 -13.518 -27.155 -13.344 1.00 50.45 C ATOM 1160 CD ARG A 73 -12.231 -27.782 -13.867 1.00 44.23 C ATOM 1161 NE ARG A 73 -11.552 -26.917 -14.831 1.00 42.34 N ATOM 1162 CZ ARG A 73 -11.496 -27.142 -16.118 1.00 0.54 C ATOM 1163 NH1 ARG A 73 -12.029 -28.208 -16.632 1.00 71.00 N ATOM 1164 NH2 ARG A 73 -10.877 -26.306 -16.884 1.00 0.12 N ATOM 0 H ARG A 73 -14.063 -27.086 -10.637 1.00 15.14 H new ATOM 0 HA ARG A 73 -11.442 -26.302 -11.585 1.00 3.20 H new ATOM 0 HB2 ARG A 73 -14.225 -25.363 -12.403 1.00 72.03 H new ATOM 0 HB3 ARG A 73 -12.749 -25.153 -13.325 1.00 72.03 H new ATOM 0 HG2 ARG A 73 -14.002 -27.845 -12.653 1.00 50.45 H new ATOM 0 HG3 ARG A 73 -14.208 -26.999 -14.174 1.00 50.45 H new ATOM 0 HD2 ARG A 73 -11.562 -27.988 -13.031 1.00 44.23 H new ATOM 0 HD3 ARG A 73 -12.459 -28.739 -14.336 1.00 44.23 H new ATOM 0 HE ARG A 73 -11.090 -26.080 -14.475 1.00 42.34 H new ATOM 0 HH11 ARG A 73 -12.500 -28.884 -16.030 1.00 71.00 H new ATOM 0 HH12 ARG A 73 -11.977 -28.370 -17.638 1.00 71.00 H new ATOM 0 HH21 ARG A 73 -10.436 -25.478 -16.484 1.00 0.12 H new ATOM 0 HH22 ARG A 73 -10.829 -26.474 -17.889 1.00 0.12 H new ATOM 1178 N VAL A 74 -11.702 -23.602 -11.394 1.00 4.22 N ATOM 1179 CA VAL A 74 -11.385 -22.279 -10.824 1.00 1.02 C ATOM 1180 C VAL A 74 -12.278 -21.159 -11.401 1.00 13.11 C ATOM 1181 O VAL A 74 -12.585 -21.150 -12.593 1.00 50.10 O ATOM 1182 CB VAL A 74 -9.895 -21.923 -11.083 1.00 63.32 C ATOM 1183 CG1 VAL A 74 -9.546 -20.532 -10.548 1.00 31.11 C ATOM 1184 CG2 VAL A 74 -8.974 -22.984 -10.480 1.00 54.31 C ATOM 0 H VAL A 74 -11.431 -23.712 -12.371 1.00 4.22 H new ATOM 0 HA VAL A 74 -11.577 -22.345 -9.753 1.00 1.02 H new ATOM 0 HB VAL A 74 -9.743 -21.906 -12.162 1.00 63.32 H new ATOM 0 HG11 VAL A 74 -8.496 -20.318 -10.747 1.00 31.11 H new ATOM 0 HG12 VAL A 74 -10.168 -19.786 -11.042 1.00 31.11 H new ATOM 0 HG13 VAL A 74 -9.725 -20.500 -9.473 1.00 31.11 H new ATOM 0 HG21 VAL A 74 -7.935 -22.716 -10.672 1.00 54.31 H new ATOM 0 HG22 VAL A 74 -9.141 -23.042 -9.404 1.00 54.31 H new ATOM 0 HG23 VAL A 74 -9.189 -23.952 -10.933 1.00 54.31 H new ATOM 1194 N ARG A 75 -12.697 -20.222 -10.540 1.00 63.30 N ATOM 1195 CA ARG A 75 -13.431 -19.022 -10.984 1.00 5.43 C ATOM 1196 C ARG A 75 -12.722 -17.734 -10.539 1.00 51.02 C ATOM 1197 O ARG A 75 -11.952 -17.142 -11.290 1.00 43.22 O ATOM 1198 CB ARG A 75 -14.873 -19.012 -10.448 1.00 50.24 C ATOM 1199 CG ARG A 75 -15.765 -20.093 -11.032 1.00 21.32 C ATOM 1200 CD ARG A 75 -17.188 -20.002 -10.492 1.00 71.53 C ATOM 1201 NE ARG A 75 -18.060 -21.023 -11.063 1.00 62.34 N ATOM 1202 CZ ARG A 75 -19.360 -21.027 -10.945 1.00 44.40 C ATOM 1203 NH1 ARG A 75 -19.969 -20.082 -10.299 1.00 10.12 N ATOM 1204 NH2 ARG A 75 -20.051 -21.979 -11.479 1.00 40.53 N ATOM 0 H ARG A 75 -12.542 -20.269 -9.533 1.00 63.30 H new ATOM 0 HA ARG A 75 -13.456 -19.058 -12.073 1.00 5.43 H new ATOM 0 HB2 ARG A 75 -14.846 -19.126 -9.364 1.00 50.24 H new ATOM 0 HB3 ARG A 75 -15.318 -18.039 -10.655 1.00 50.24 H new ATOM 0 HG2 ARG A 75 -15.781 -20.004 -12.118 1.00 21.32 H new ATOM 0 HG3 ARG A 75 -15.349 -21.073 -10.799 1.00 21.32 H new ATOM 0 HD2 ARG A 75 -17.171 -20.107 -9.407 1.00 71.53 H new ATOM 0 HD3 ARG A 75 -17.595 -19.015 -10.711 1.00 71.53 H new ATOM 0 HE ARG A 75 -17.626 -21.782 -11.588 1.00 62.34 H new ATOM 0 HH11 ARG A 75 -19.432 -19.325 -9.876 1.00 10.12 H new ATOM 0 HH12 ARG A 75 -20.985 -20.096 -10.213 1.00 10.12 H new ATOM 0 HH21 ARG A 75 -19.581 -22.725 -11.991 1.00 40.53 H new ATOM 0 HH22 ARG A 75 -21.067 -21.985 -11.388 1.00 40.53 H new ATOM 1218 N GLU A 76 -12.973 -17.315 -9.301 1.00 35.44 N ATOM 1219 CA GLU A 76 -12.442 -16.046 -8.795 1.00 55.43 C ATOM 1220 C GLU A 76 -11.196 -16.271 -7.930 1.00 71.02 C ATOM 1221 O GLU A 76 -11.227 -17.021 -6.948 1.00 13.25 O ATOM 1222 CB GLU A 76 -13.524 -15.306 -7.995 1.00 71.53 C ATOM 1223 CG GLU A 76 -14.804 -15.064 -8.792 1.00 12.45 C ATOM 1224 CD GLU A 76 -15.846 -14.267 -8.025 1.00 12.32 C ATOM 1225 OE1 GLU A 76 -16.250 -14.707 -6.930 1.00 52.44 O ATOM 1226 OE2 GLU A 76 -16.286 -13.207 -8.524 1.00 73.12 O ATOM 0 H GLU A 76 -13.539 -17.832 -8.629 1.00 35.44 H new ATOM 0 HA GLU A 76 -12.149 -15.434 -9.648 1.00 55.43 H new ATOM 0 HB2 GLU A 76 -13.764 -15.883 -7.102 1.00 71.53 H new ATOM 0 HB3 GLU A 76 -13.127 -14.348 -7.659 1.00 71.53 H new ATOM 0 HG2 GLU A 76 -14.557 -14.535 -9.712 1.00 12.45 H new ATOM 0 HG3 GLU A 76 -15.231 -16.024 -9.081 1.00 12.45 H new ATOM 1233 N PHE A 77 -10.101 -15.621 -8.308 1.00 10.43 N ATOM 1234 CA PHE A 77 -8.831 -15.738 -7.588 1.00 70.33 C ATOM 1235 C PHE A 77 -8.660 -14.566 -6.602 1.00 11.51 C ATOM 1236 O PHE A 77 -8.908 -13.409 -6.952 1.00 63.41 O ATOM 1237 CB PHE A 77 -7.671 -15.771 -8.598 1.00 25.51 C ATOM 1238 CG PHE A 77 -6.521 -16.655 -8.184 1.00 65.25 C ATOM 1239 CD1 PHE A 77 -6.614 -18.034 -8.321 1.00 5.03 C ATOM 1240 CD2 PHE A 77 -5.351 -16.118 -7.668 1.00 2.23 C ATOM 1241 CE1 PHE A 77 -5.567 -18.856 -7.951 1.00 3.54 C ATOM 1242 CE2 PHE A 77 -4.301 -16.938 -7.296 1.00 33.31 C ATOM 1243 CZ PHE A 77 -4.409 -18.308 -7.438 1.00 71.15 C ATOM 0 H PHE A 77 -10.065 -15.001 -9.117 1.00 10.43 H new ATOM 0 HA PHE A 77 -8.829 -16.664 -7.013 1.00 70.33 H new ATOM 0 HB2 PHE A 77 -8.051 -16.114 -9.561 1.00 25.51 H new ATOM 0 HB3 PHE A 77 -7.301 -14.756 -8.744 1.00 25.51 H new ATOM 0 HD1 PHE A 77 -7.517 -18.470 -8.722 1.00 5.03 H new ATOM 0 HD2 PHE A 77 -5.259 -15.048 -7.555 1.00 2.23 H new ATOM 0 HE1 PHE A 77 -5.655 -19.927 -8.063 1.00 3.54 H new ATOM 0 HE2 PHE A 77 -3.396 -16.507 -6.894 1.00 33.31 H new ATOM 0 HZ PHE A 77 -3.589 -18.949 -7.148 1.00 71.15 H new ATOM 1253 N GLU A 78 -8.242 -14.873 -5.374 1.00 13.31 N ATOM 1254 CA GLU A 78 -8.120 -13.864 -4.313 1.00 42.05 C ATOM 1255 C GLU A 78 -6.722 -13.218 -4.283 1.00 24.43 C ATOM 1256 O GLU A 78 -5.741 -13.852 -3.888 1.00 23.23 O ATOM 1257 CB GLU A 78 -8.419 -14.505 -2.949 1.00 32.33 C ATOM 1258 CG GLU A 78 -8.284 -13.547 -1.767 1.00 73.23 C ATOM 1259 CD GLU A 78 -8.516 -14.230 -0.428 1.00 40.45 C ATOM 1260 OE1 GLU A 78 -9.684 -14.347 -0.006 1.00 13.43 O ATOM 1261 OE2 GLU A 78 -7.529 -14.656 0.212 1.00 23.31 O ATOM 0 H GLU A 78 -7.980 -15.816 -5.085 1.00 13.31 H new ATOM 0 HA GLU A 78 -8.844 -13.077 -4.526 1.00 42.05 H new ATOM 0 HB2 GLU A 78 -9.432 -14.907 -2.963 1.00 32.33 H new ATOM 0 HB3 GLU A 78 -7.743 -15.347 -2.799 1.00 32.33 H new ATOM 0 HG2 GLU A 78 -7.288 -13.103 -1.776 1.00 73.23 H new ATOM 0 HG3 GLU A 78 -8.998 -12.731 -1.883 1.00 73.23 H new ATOM 1268 N LEU A 79 -6.640 -11.959 -4.702 1.00 51.51 N ATOM 1269 CA LEU A 79 -5.390 -11.193 -4.620 1.00 14.31 C ATOM 1270 C LEU A 79 -5.371 -10.333 -3.342 1.00 50.50 C ATOM 1271 O LEU A 79 -6.020 -9.288 -3.278 1.00 23.45 O ATOM 1272 CB LEU A 79 -5.230 -10.301 -5.862 1.00 53.14 C ATOM 1273 CG LEU A 79 -5.342 -11.029 -7.217 1.00 1.55 C ATOM 1274 CD1 LEU A 79 -5.158 -10.052 -8.375 1.00 12.14 C ATOM 1275 CD2 LEU A 79 -4.330 -12.166 -7.307 1.00 61.32 C ATOM 0 H LEU A 79 -7.423 -11.442 -5.103 1.00 51.51 H new ATOM 0 HA LEU A 79 -4.556 -11.893 -4.581 1.00 14.31 H new ATOM 0 HB2 LEU A 79 -5.987 -9.518 -5.826 1.00 53.14 H new ATOM 0 HB3 LEU A 79 -4.259 -9.809 -5.812 1.00 53.14 H new ATOM 0 HG LEU A 79 -6.342 -11.457 -7.288 1.00 1.55 H new ATOM 0 HD11 LEU A 79 -5.241 -10.588 -9.320 1.00 12.14 H new ATOM 0 HD12 LEU A 79 -5.927 -9.281 -8.326 1.00 12.14 H new ATOM 0 HD13 LEU A 79 -4.174 -9.588 -8.307 1.00 12.14 H new ATOM 0 HD21 LEU A 79 -4.428 -12.665 -8.271 1.00 61.32 H new ATOM 0 HD22 LEU A 79 -3.322 -11.764 -7.207 1.00 61.32 H new ATOM 0 HD23 LEU A 79 -4.516 -12.883 -6.507 1.00 61.32 H new ATOM 1287 N VAL A 80 -4.647 -10.789 -2.319 1.00 63.31 N ATOM 1288 CA VAL A 80 -4.636 -10.110 -1.012 1.00 45.25 C ATOM 1289 C VAL A 80 -3.314 -9.358 -0.742 1.00 13.21 C ATOM 1290 O VAL A 80 -2.225 -9.928 -0.828 1.00 53.44 O ATOM 1291 CB VAL A 80 -4.911 -11.119 0.141 1.00 72.51 C ATOM 1292 CG1 VAL A 80 -3.900 -12.266 0.130 1.00 34.35 C ATOM 1293 CG2 VAL A 80 -4.915 -10.413 1.496 1.00 1.40 C ATOM 0 H VAL A 80 -4.061 -11.622 -2.365 1.00 63.31 H new ATOM 0 HA VAL A 80 -5.435 -9.370 -1.045 1.00 45.25 H new ATOM 0 HB VAL A 80 -5.900 -11.546 -0.024 1.00 72.51 H new ATOM 0 HG11 VAL A 80 -4.120 -12.953 0.947 1.00 34.35 H new ATOM 0 HG12 VAL A 80 -3.964 -12.799 -0.819 1.00 34.35 H new ATOM 0 HG13 VAL A 80 -2.894 -11.865 0.253 1.00 34.35 H new ATOM 0 HG21 VAL A 80 -5.109 -11.140 2.285 1.00 1.40 H new ATOM 0 HG22 VAL A 80 -3.945 -9.945 1.665 1.00 1.40 H new ATOM 0 HG23 VAL A 80 -5.693 -9.650 1.506 1.00 1.40 H new ATOM 1303 N TYR A 81 -3.421 -8.072 -0.403 1.00 44.45 N ATOM 1304 CA TYR A 81 -2.247 -7.245 -0.090 1.00 11.21 C ATOM 1305 C TYR A 81 -2.384 -6.583 1.296 1.00 62.32 C ATOM 1306 O TYR A 81 -3.413 -5.980 1.612 1.00 74.50 O ATOM 1307 CB TYR A 81 -2.043 -6.172 -1.174 1.00 12.34 C ATOM 1308 CG TYR A 81 -0.753 -5.377 -1.029 1.00 44.35 C ATOM 1309 CD1 TYR A 81 0.442 -6.010 -0.712 1.00 63.04 C ATOM 1310 CD2 TYR A 81 -0.727 -3.998 -1.212 1.00 74.12 C ATOM 1311 CE1 TYR A 81 1.622 -5.303 -0.582 1.00 75.24 C ATOM 1312 CE2 TYR A 81 0.452 -3.281 -1.086 1.00 4.32 C ATOM 1313 CZ TYR A 81 1.625 -3.940 -0.769 1.00 54.03 C ATOM 1314 OH TYR A 81 2.805 -3.233 -0.646 1.00 22.14 O ATOM 0 H TYR A 81 -4.310 -7.577 -0.337 1.00 44.45 H new ATOM 0 HA TYR A 81 -1.374 -7.897 -0.068 1.00 11.21 H new ATOM 0 HB2 TYR A 81 -2.052 -6.653 -2.152 1.00 12.34 H new ATOM 0 HB3 TYR A 81 -2.887 -5.482 -1.150 1.00 12.34 H new ATOM 0 HD1 TYR A 81 0.449 -7.080 -0.564 1.00 63.04 H new ATOM 0 HD2 TYR A 81 -1.641 -3.478 -1.456 1.00 74.12 H new ATOM 0 HE1 TYR A 81 2.538 -5.818 -0.335 1.00 75.24 H new ATOM 0 HE2 TYR A 81 0.454 -2.211 -1.235 1.00 4.32 H new ATOM 0 HH TYR A 81 2.635 -2.282 -0.810 1.00 22.14 H new ATOM 1324 N ARG A 82 -1.341 -6.709 2.114 1.00 12.21 N ATOM 1325 CA ARG A 82 -1.317 -6.149 3.474 1.00 42.13 C ATOM 1326 C ARG A 82 -0.209 -5.092 3.621 1.00 62.13 C ATOM 1327 O ARG A 82 0.910 -5.296 3.152 1.00 61.21 O ATOM 1328 CB ARG A 82 -1.085 -7.270 4.499 1.00 44.15 C ATOM 1329 CG ARG A 82 -2.209 -8.298 4.574 1.00 72.14 C ATOM 1330 CD ARG A 82 -1.868 -9.433 5.539 1.00 52.01 C ATOM 1331 NE ARG A 82 -1.494 -8.931 6.861 1.00 52.23 N ATOM 1332 CZ ARG A 82 -1.184 -9.683 7.882 1.00 41.12 C ATOM 1333 NH1 ARG A 82 -1.165 -10.975 7.784 1.00 75.53 N ATOM 1334 NH2 ARG A 82 -0.870 -9.128 9.002 1.00 4.31 N ATOM 0 H ARG A 82 -0.486 -7.202 1.857 1.00 12.21 H new ATOM 0 HA ARG A 82 -2.280 -5.672 3.656 1.00 42.13 H new ATOM 0 HB2 ARG A 82 -0.155 -7.783 4.253 1.00 44.15 H new ATOM 0 HB3 ARG A 82 -0.952 -6.823 5.484 1.00 44.15 H new ATOM 0 HG2 ARG A 82 -3.129 -7.810 4.896 1.00 72.14 H new ATOM 0 HG3 ARG A 82 -2.396 -8.707 3.581 1.00 72.14 H new ATOM 0 HD2 ARG A 82 -2.725 -10.100 5.633 1.00 52.01 H new ATOM 0 HD3 ARG A 82 -1.048 -10.024 5.130 1.00 52.01 H new ATOM 0 HE ARG A 82 -1.474 -7.920 6.995 1.00 52.23 H new ATOM 0 HH11 ARG A 82 -1.395 -11.423 6.897 1.00 75.53 H new ATOM 0 HH12 ARG A 82 -0.920 -11.544 8.594 1.00 75.53 H new ATOM 0 HH21 ARG A 82 -0.866 -8.111 9.084 1.00 4.31 H new ATOM 0 HH22 ARG A 82 -0.626 -9.705 9.807 1.00 4.31 H new ATOM 1348 N VAL A 83 -0.523 -3.969 4.268 1.00 12.41 N ATOM 1349 CA VAL A 83 0.470 -2.910 4.527 1.00 61.24 C ATOM 1350 C VAL A 83 0.352 -2.369 5.961 1.00 42.02 C ATOM 1351 O VAL A 83 -0.630 -1.717 6.304 1.00 50.34 O ATOM 1352 CB VAL A 83 0.323 -1.720 3.541 1.00 42.43 C ATOM 1353 CG1 VAL A 83 1.378 -0.651 3.819 1.00 40.22 C ATOM 1354 CG2 VAL A 83 0.400 -2.191 2.093 1.00 52.24 C ATOM 0 H VAL A 83 -1.456 -3.763 4.625 1.00 12.41 H new ATOM 0 HA VAL A 83 1.447 -3.373 4.386 1.00 61.24 H new ATOM 0 HB VAL A 83 -0.661 -1.278 3.697 1.00 42.43 H new ATOM 0 HG11 VAL A 83 1.255 0.173 3.116 1.00 40.22 H new ATOM 0 HG12 VAL A 83 1.260 -0.280 4.837 1.00 40.22 H new ATOM 0 HG13 VAL A 83 2.372 -1.082 3.703 1.00 40.22 H new ATOM 0 HG21 VAL A 83 0.294 -1.335 1.426 1.00 52.24 H new ATOM 0 HG22 VAL A 83 1.363 -2.671 1.917 1.00 52.24 H new ATOM 0 HG23 VAL A 83 -0.402 -2.904 1.899 1.00 52.24 H new ATOM 1364 N ALA A 84 1.356 -2.633 6.794 1.00 1.31 N ATOM 1365 CA ALA A 84 1.362 -2.144 8.180 1.00 54.53 C ATOM 1366 C ALA A 84 2.569 -1.237 8.457 1.00 33.44 C ATOM 1367 O ALA A 84 3.713 -1.589 8.149 1.00 34.41 O ATOM 1368 CB ALA A 84 1.352 -3.311 9.156 1.00 13.35 C ATOM 0 H ALA A 84 2.177 -3.182 6.538 1.00 1.31 H new ATOM 0 HA ALA A 84 0.458 -1.551 8.321 1.00 54.53 H new ATOM 0 HB1 ALA A 84 1.357 -2.931 10.178 1.00 13.35 H new ATOM 0 HB2 ALA A 84 0.456 -3.911 8.996 1.00 13.35 H new ATOM 0 HB3 ALA A 84 2.236 -3.928 8.994 1.00 13.35 H new ATOM 1374 N ALA A 85 2.309 -0.080 9.057 1.00 10.33 N ATOM 1375 CA ALA A 85 3.362 0.887 9.373 1.00 22.35 C ATOM 1376 C ALA A 85 3.128 1.550 10.741 1.00 74.04 C ATOM 1377 O ALA A 85 2.200 1.195 11.467 1.00 53.10 O ATOM 1378 CB ALA A 85 3.445 1.945 8.277 1.00 12.00 C ATOM 0 H ALA A 85 1.373 0.215 9.337 1.00 10.33 H new ATOM 0 HA ALA A 85 4.309 0.349 9.425 1.00 22.35 H new ATOM 0 HB1 ALA A 85 4.231 2.660 8.520 1.00 12.00 H new ATOM 0 HB2 ALA A 85 3.673 1.466 7.325 1.00 12.00 H new ATOM 0 HB3 ALA A 85 2.491 2.466 8.202 1.00 12.00 H new ATOM 1384 N ARG A 86 3.990 2.501 11.088 1.00 10.54 N ATOM 1385 CA ARG A 86 3.870 3.261 12.338 1.00 42.22 C ATOM 1386 C ARG A 86 4.175 4.746 12.099 1.00 44.13 C ATOM 1387 O ARG A 86 5.116 5.085 11.380 1.00 1.42 O ATOM 1388 CB ARG A 86 4.823 2.701 13.408 1.00 53.35 C ATOM 1389 CG ARG A 86 4.508 1.269 13.832 1.00 75.25 C ATOM 1390 CD ARG A 86 5.442 0.781 14.935 1.00 44.10 C ATOM 1391 NE ARG A 86 5.104 -0.571 15.373 1.00 62.51 N ATOM 1392 CZ ARG A 86 4.809 -0.894 16.602 1.00 63.21 C ATOM 1393 NH1 ARG A 86 4.850 -0.009 17.551 1.00 74.45 N ATOM 1394 NH2 ARG A 86 4.486 -2.113 16.878 1.00 20.35 N ATOM 0 H ARG A 86 4.791 2.770 10.516 1.00 10.54 H new ATOM 0 HA ARG A 86 2.844 3.163 12.693 1.00 42.22 H new ATOM 0 HB2 ARG A 86 5.844 2.740 13.027 1.00 53.35 H new ATOM 0 HB3 ARG A 86 4.786 3.346 14.286 1.00 53.35 H new ATOM 0 HG2 ARG A 86 3.476 1.212 14.179 1.00 75.25 H new ATOM 0 HG3 ARG A 86 4.591 0.609 12.969 1.00 75.25 H new ATOM 0 HD2 ARG A 86 6.471 0.800 14.575 1.00 44.10 H new ATOM 0 HD3 ARG A 86 5.389 1.462 15.784 1.00 44.10 H new ATOM 0 HE ARG A 86 5.098 -1.311 14.671 1.00 62.51 H new ATOM 0 HH11 ARG A 86 5.115 0.953 17.340 1.00 74.45 H new ATOM 0 HH12 ARG A 86 4.617 -0.276 18.507 1.00 74.45 H new ATOM 0 HH21 ARG A 86 4.463 -2.815 16.138 1.00 20.35 H new ATOM 0 HH22 ARG A 86 4.254 -2.375 17.836 1.00 20.35 H new ATOM 1408 N LEU A 87 3.379 5.624 12.703 1.00 42.34 N ATOM 1409 CA LEU A 87 3.559 7.071 12.545 1.00 4.02 C ATOM 1410 C LEU A 87 4.109 7.680 13.848 1.00 35.11 C ATOM 1411 O LEU A 87 3.394 7.793 14.845 1.00 34.25 O ATOM 1412 CB LEU A 87 2.213 7.712 12.149 1.00 24.14 C ATOM 1413 CG LEU A 87 2.287 9.093 11.470 1.00 22.01 C ATOM 1414 CD1 LEU A 87 0.954 9.421 10.808 1.00 23.42 C ATOM 1415 CD2 LEU A 87 2.665 10.191 12.467 1.00 22.24 C ATOM 0 H LEU A 87 2.601 5.362 13.308 1.00 42.34 H new ATOM 0 HA LEU A 87 4.283 7.270 11.754 1.00 4.02 H new ATOM 0 HB2 LEU A 87 1.693 7.028 11.478 1.00 24.14 H new ATOM 0 HB3 LEU A 87 1.601 7.805 13.046 1.00 24.14 H new ATOM 0 HG LEU A 87 3.067 9.051 10.710 1.00 22.01 H new ATOM 0 HD11 LEU A 87 1.016 10.399 10.331 1.00 23.42 H new ATOM 0 HD12 LEU A 87 0.725 8.665 10.057 1.00 23.42 H new ATOM 0 HD13 LEU A 87 0.167 9.434 11.562 1.00 23.42 H new ATOM 0 HD21 LEU A 87 2.708 11.151 11.952 1.00 22.24 H new ATOM 0 HD22 LEU A 87 1.917 10.237 13.259 1.00 22.24 H new ATOM 0 HD23 LEU A 87 3.640 9.969 12.901 1.00 22.24 H new ATOM 1427 N LEU A 88 5.389 8.056 13.835 1.00 11.31 N ATOM 1428 CA LEU A 88 6.061 8.555 15.039 1.00 34.43 C ATOM 1429 C LEU A 88 6.276 10.075 14.998 1.00 11.15 C ATOM 1430 O LEU A 88 6.259 10.702 13.935 1.00 45.14 O ATOM 1431 CB LEU A 88 7.420 7.862 15.238 1.00 24.42 C ATOM 1432 CG LEU A 88 7.381 6.327 15.368 1.00 21.34 C ATOM 1433 CD1 LEU A 88 7.200 5.657 14.009 1.00 42.24 C ATOM 1434 CD2 LEU A 88 8.642 5.816 16.051 1.00 63.55 C ATOM 0 H LEU A 88 5.982 8.025 13.006 1.00 11.31 H new ATOM 0 HA LEU A 88 5.403 8.323 15.876 1.00 34.43 H new ATOM 0 HB2 LEU A 88 8.064 8.120 14.397 1.00 24.42 H new ATOM 0 HB3 LEU A 88 7.887 8.271 16.134 1.00 24.42 H new ATOM 0 HG LEU A 88 6.520 6.068 15.984 1.00 21.34 H new ATOM 0 HD11 LEU A 88 7.177 4.575 14.137 1.00 42.24 H new ATOM 0 HD12 LEU A 88 6.264 5.990 13.561 1.00 42.24 H new ATOM 0 HD13 LEU A 88 8.030 5.927 13.357 1.00 42.24 H new ATOM 0 HD21 LEU A 88 8.596 4.730 16.134 1.00 63.55 H new ATOM 0 HD22 LEU A 88 9.515 6.099 15.462 1.00 63.55 H new ATOM 0 HD23 LEU A 88 8.719 6.253 17.047 1.00 63.55 H new ATOM 1446 N ASP A 89 6.492 10.649 16.178 1.00 42.52 N ATOM 1447 CA ASP A 89 6.761 12.079 16.327 1.00 24.43 C ATOM 1448 C ASP A 89 8.191 12.430 15.869 1.00 20.44 C ATOM 1449 O ASP A 89 9.031 11.546 15.706 1.00 71.12 O ATOM 1450 CB ASP A 89 6.552 12.476 17.795 1.00 33.53 C ATOM 1451 CG ASP A 89 6.822 13.945 18.055 1.00 0.42 C ATOM 1452 OD1 ASP A 89 5.998 14.785 17.650 1.00 32.02 O ATOM 1453 OD2 ASP A 89 7.873 14.265 18.650 1.00 35.21 O ATOM 0 H ASP A 89 6.486 10.137 17.060 1.00 42.52 H new ATOM 0 HA ASP A 89 6.071 12.637 15.694 1.00 24.43 H new ATOM 0 HB2 ASP A 89 5.528 12.243 18.086 1.00 33.53 H new ATOM 0 HB3 ASP A 89 7.207 11.875 18.425 1.00 33.53 H new ATOM 1458 N ALA A 90 8.463 13.726 15.697 1.00 3.03 N ATOM 1459 CA ALA A 90 9.772 14.216 15.230 1.00 61.41 C ATOM 1460 C ALA A 90 10.947 13.737 16.107 1.00 34.13 C ATOM 1461 O ALA A 90 12.107 13.819 15.702 1.00 54.14 O ATOM 1462 CB ALA A 90 9.754 15.738 15.174 1.00 65.13 C ATOM 0 H ALA A 90 7.786 14.468 15.876 1.00 3.03 H new ATOM 0 HA ALA A 90 9.934 13.799 14.236 1.00 61.41 H new ATOM 0 HB1 ALA A 90 10.722 16.101 14.829 1.00 65.13 H new ATOM 0 HB2 ALA A 90 8.976 16.068 14.485 1.00 65.13 H new ATOM 0 HB3 ALA A 90 9.551 16.136 16.168 1.00 65.13 H new ATOM 1468 N HIS A 91 10.647 13.262 17.317 1.00 62.52 N ATOM 1469 CA HIS A 91 11.680 12.730 18.221 1.00 33.32 C ATOM 1470 C HIS A 91 11.831 11.199 18.098 1.00 23.11 C ATOM 1471 O HIS A 91 12.442 10.565 18.955 1.00 22.24 O ATOM 1472 CB HIS A 91 11.352 13.108 19.672 1.00 71.44 C ATOM 1473 CG HIS A 91 11.484 14.574 19.952 1.00 21.00 C ATOM 1474 ND1 HIS A 91 12.625 15.136 20.483 1.00 75.24 N ATOM 1475 CD2 HIS A 91 10.620 15.602 19.763 1.00 64.42 C ATOM 1476 CE1 HIS A 91 12.459 16.436 20.607 1.00 10.01 C ATOM 1477 NE2 HIS A 91 11.255 16.747 20.179 1.00 64.24 N ATOM 0 H HIS A 91 9.701 13.233 17.697 1.00 62.52 H new ATOM 0 HA HIS A 91 12.630 13.177 17.929 1.00 33.32 H new ATOM 0 HB2 HIS A 91 10.334 12.793 19.900 1.00 71.44 H new ATOM 0 HB3 HIS A 91 12.013 12.557 20.341 1.00 71.44 H new ATOM 0 HD2 HIS A 91 9.620 15.533 19.361 1.00 64.42 H new ATOM 0 HE1 HIS A 91 13.189 17.131 20.995 1.00 10.01 H new ATOM 0 HE2 HIS A 91 10.857 17.686 20.159 1.00 64.24 H new ATOM 1486 N ASN A 92 11.268 10.618 17.035 1.00 12.03 N ATOM 1487 CA ASN A 92 11.342 9.162 16.778 1.00 11.34 C ATOM 1488 C ASN A 92 10.732 8.325 17.921 1.00 32.34 C ATOM 1489 O ASN A 92 10.938 7.113 17.986 1.00 74.33 O ATOM 1490 CB ASN A 92 12.795 8.718 16.541 1.00 20.31 C ATOM 1491 CG ASN A 92 13.432 9.388 15.340 1.00 44.21 C ATOM 1492 OD1 ASN A 92 13.125 10.526 15.008 1.00 54.42 O ATOM 1493 ND2 ASN A 92 14.324 8.685 14.676 1.00 62.42 N ATOM 0 H ASN A 92 10.748 11.134 16.326 1.00 12.03 H new ATOM 0 HA ASN A 92 10.752 8.982 15.879 1.00 11.34 H new ATOM 0 HB2 ASN A 92 13.386 8.940 17.430 1.00 20.31 H new ATOM 0 HB3 ASN A 92 12.821 7.637 16.403 1.00 20.31 H new ATOM 0 HD21 ASN A 92 14.783 9.086 13.858 1.00 62.42 H new ATOM 0 HD22 ASN A 92 14.557 7.739 14.979 1.00 62.42 H new ATOM 1500 N ALA A 93 9.974 8.963 18.809 1.00 72.32 N ATOM 1501 CA ALA A 93 9.351 8.259 19.937 1.00 13.51 C ATOM 1502 C ALA A 93 8.070 7.528 19.503 1.00 41.41 C ATOM 1503 O ALA A 93 8.061 6.307 19.339 1.00 33.33 O ATOM 1504 CB ALA A 93 9.056 9.239 21.072 1.00 55.34 C ATOM 0 H ALA A 93 9.774 9.963 18.774 1.00 72.32 H new ATOM 0 HA ALA A 93 10.053 7.506 20.296 1.00 13.51 H new ATOM 0 HB1 ALA A 93 8.594 8.705 21.903 1.00 55.34 H new ATOM 0 HB2 ALA A 93 9.986 9.698 21.408 1.00 55.34 H new ATOM 0 HB3 ALA A 93 8.377 10.014 20.716 1.00 55.34 H new ATOM 1510 N GLU A 94 6.995 8.293 19.314 1.00 54.25 N ATOM 1511 CA GLU A 94 5.700 7.751 18.878 1.00 34.04 C ATOM 1512 C GLU A 94 4.680 8.878 18.661 1.00 62.33 C ATOM 1513 O GLU A 94 4.907 10.017 19.083 1.00 14.20 O ATOM 1514 CB GLU A 94 5.154 6.753 19.912 1.00 24.21 C ATOM 1515 CG GLU A 94 4.991 7.344 21.310 1.00 1.40 C ATOM 1516 CD GLU A 94 4.446 6.339 22.308 1.00 21.53 C ATOM 1517 OE1 GLU A 94 5.212 5.455 22.748 1.00 1.51 O ATOM 1518 OE2 GLU A 94 3.248 6.413 22.642 1.00 73.14 O ATOM 0 H GLU A 94 6.993 9.303 19.457 1.00 54.25 H new ATOM 0 HA GLU A 94 5.858 7.233 17.932 1.00 34.04 H new ATOM 0 HB2 GLU A 94 4.188 6.381 19.570 1.00 24.21 H new ATOM 0 HB3 GLU A 94 5.825 5.896 19.966 1.00 24.21 H new ATOM 0 HG2 GLU A 94 5.956 7.712 21.660 1.00 1.40 H new ATOM 0 HG3 GLU A 94 4.321 8.203 21.262 1.00 1.40 H new ATOM 1525 N LEU A 95 3.572 8.570 17.991 1.00 22.22 N ATOM 1526 CA LEU A 95 2.510 9.565 17.776 1.00 4.42 C ATOM 1527 C LEU A 95 1.149 8.891 17.512 1.00 5.51 C ATOM 1528 O LEU A 95 0.277 8.867 18.380 1.00 64.45 O ATOM 1529 CB LEU A 95 2.890 10.498 16.604 1.00 35.52 C ATOM 1530 CG LEU A 95 2.262 11.909 16.621 1.00 23.30 C ATOM 1531 CD1 LEU A 95 0.739 11.851 16.546 1.00 0.05 C ATOM 1532 CD2 LEU A 95 2.707 12.682 17.863 1.00 22.35 C ATOM 0 H LEU A 95 3.382 7.652 17.589 1.00 22.22 H new ATOM 0 HA LEU A 95 2.411 10.157 18.686 1.00 4.42 H new ATOM 0 HB2 LEU A 95 3.975 10.606 16.591 1.00 35.52 H new ATOM 0 HB3 LEU A 95 2.607 10.009 15.672 1.00 35.52 H new ATOM 0 HG LEU A 95 2.616 12.435 15.734 1.00 23.30 H new ATOM 0 HD11 LEU A 95 0.335 12.863 16.560 1.00 0.05 H new ATOM 0 HD12 LEU A 95 0.439 11.354 15.624 1.00 0.05 H new ATOM 0 HD13 LEU A 95 0.354 11.294 17.400 1.00 0.05 H new ATOM 0 HD21 LEU A 95 2.254 13.673 17.856 1.00 22.35 H new ATOM 0 HD22 LEU A 95 2.392 12.145 18.758 1.00 22.35 H new ATOM 0 HD23 LEU A 95 3.793 12.779 17.861 1.00 22.35 H new ATOM 1544 N ALA A 96 0.974 8.339 16.313 1.00 1.31 N ATOM 1545 CA ALA A 96 -0.321 7.785 15.899 1.00 41.43 C ATOM 1546 C ALA A 96 -0.255 6.272 15.636 1.00 61.10 C ATOM 1547 O ALA A 96 0.676 5.775 14.992 1.00 40.53 O ATOM 1548 CB ALA A 96 -0.826 8.514 14.660 1.00 25.54 C ATOM 0 H ALA A 96 1.709 8.262 15.610 1.00 1.31 H new ATOM 0 HA ALA A 96 -1.018 7.936 16.723 1.00 41.43 H new ATOM 0 HB1 ALA A 96 -1.787 8.097 14.359 1.00 25.54 H new ATOM 0 HB2 ALA A 96 -0.944 9.574 14.885 1.00 25.54 H new ATOM 0 HB3 ALA A 96 -0.108 8.393 13.849 1.00 25.54 H new ATOM 1554 N SER A 97 -1.260 5.546 16.126 1.00 44.11 N ATOM 1555 CA SER A 97 -1.356 4.098 15.904 1.00 20.13 C ATOM 1556 C SER A 97 -1.813 3.787 14.471 1.00 72.41 C ATOM 1557 O SER A 97 -2.983 3.480 14.230 1.00 31.14 O ATOM 1558 CB SER A 97 -2.330 3.456 16.908 1.00 62.21 C ATOM 1559 OG SER A 97 -3.643 3.991 16.773 1.00 74.11 O ATOM 0 H SER A 97 -2.022 5.935 16.681 1.00 44.11 H new ATOM 0 HA SER A 97 -0.362 3.677 16.053 1.00 20.13 H new ATOM 0 HB2 SER A 97 -2.357 2.378 16.752 1.00 62.21 H new ATOM 0 HB3 SER A 97 -1.970 3.622 17.923 1.00 62.21 H new ATOM 0 HG SER A 97 -3.949 3.878 15.849 1.00 74.11 H new ATOM 1565 N LEU A 98 -0.889 3.891 13.521 1.00 53.31 N ATOM 1566 CA LEU A 98 -1.194 3.633 12.110 1.00 65.33 C ATOM 1567 C LEU A 98 -1.537 2.147 11.888 1.00 10.52 C ATOM 1568 O LEU A 98 -0.696 1.268 12.086 1.00 4.34 O ATOM 1569 CB LEU A 98 -0.001 4.066 11.241 1.00 51.35 C ATOM 1570 CG LEU A 98 -0.215 3.999 9.717 1.00 35.21 C ATOM 1571 CD1 LEU A 98 -1.509 4.704 9.319 1.00 4.24 C ATOM 1572 CD2 LEU A 98 0.976 4.619 8.986 1.00 60.54 C ATOM 0 H LEU A 98 0.081 4.153 13.699 1.00 53.31 H new ATOM 0 HA LEU A 98 -2.068 4.215 11.819 1.00 65.33 H new ATOM 0 HB2 LEU A 98 0.263 5.090 11.506 1.00 51.35 H new ATOM 0 HB3 LEU A 98 0.854 3.440 11.496 1.00 51.35 H new ATOM 0 HG LEU A 98 -0.296 2.951 9.429 1.00 35.21 H new ATOM 0 HD11 LEU A 98 -1.639 4.644 8.238 1.00 4.24 H new ATOM 0 HD12 LEU A 98 -2.353 4.222 9.813 1.00 4.24 H new ATOM 0 HD13 LEU A 98 -1.461 5.750 9.621 1.00 4.24 H new ATOM 0 HD21 LEU A 98 0.811 4.565 7.910 1.00 60.54 H new ATOM 0 HD22 LEU A 98 1.083 5.662 9.284 1.00 60.54 H new ATOM 0 HD23 LEU A 98 1.884 4.073 9.242 1.00 60.54 H new ATOM 1584 N GLN A 99 -2.781 1.877 11.491 1.00 65.45 N ATOM 1585 CA GLN A 99 -3.284 0.500 11.376 1.00 61.45 C ATOM 1586 C GLN A 99 -2.760 -0.220 10.124 1.00 24.40 C ATOM 1587 O GLN A 99 -2.073 0.371 9.288 1.00 63.42 O ATOM 1588 CB GLN A 99 -4.820 0.495 11.375 1.00 61.44 C ATOM 1589 CG GLN A 99 -5.446 1.050 12.651 1.00 5.42 C ATOM 1590 CD GLN A 99 -5.012 0.296 13.896 1.00 44.10 C ATOM 1591 OE1 GLN A 99 -5.621 -0.696 14.284 1.00 53.43 O ATOM 1592 NE2 GLN A 99 -3.968 0.772 14.541 1.00 24.11 N ATOM 0 H GLN A 99 -3.463 2.593 11.242 1.00 65.45 H new ATOM 0 HA GLN A 99 -2.912 -0.046 12.243 1.00 61.45 H new ATOM 0 HB2 GLN A 99 -5.174 1.079 10.526 1.00 61.44 H new ATOM 0 HB3 GLN A 99 -5.169 -0.527 11.227 1.00 61.44 H new ATOM 0 HG2 GLN A 99 -5.176 2.101 12.756 1.00 5.42 H new ATOM 0 HG3 GLN A 99 -6.532 1.007 12.566 1.00 5.42 H new ATOM 0 HE21 GLN A 99 -3.485 1.599 14.190 1.00 24.11 H new ATOM 0 HE22 GLN A 99 -3.642 0.314 15.392 1.00 24.11 H new ATOM 1601 N GLU A 100 -3.095 -1.507 10.007 1.00 61.35 N ATOM 1602 CA GLU A 100 -2.657 -2.329 8.875 1.00 64.53 C ATOM 1603 C GLU A 100 -3.714 -2.359 7.755 1.00 4.34 C ATOM 1604 O GLU A 100 -4.847 -2.806 7.958 1.00 72.32 O ATOM 1605 CB GLU A 100 -2.332 -3.756 9.352 1.00 14.11 C ATOM 1606 CG GLU A 100 -1.903 -4.705 8.231 1.00 45.34 C ATOM 1607 CD GLU A 100 -1.244 -5.984 8.737 1.00 1.15 C ATOM 1608 OE1 GLU A 100 -1.607 -6.469 9.834 1.00 53.33 O ATOM 1609 OE2 GLU A 100 -0.362 -6.520 8.038 1.00 74.43 O ATOM 0 H GLU A 100 -3.671 -2.005 10.686 1.00 61.35 H new ATOM 0 HA GLU A 100 -1.755 -1.879 8.461 1.00 64.53 H new ATOM 0 HB2 GLU A 100 -1.537 -3.707 10.096 1.00 14.11 H new ATOM 0 HB3 GLU A 100 -3.209 -4.170 9.849 1.00 14.11 H new ATOM 0 HG2 GLU A 100 -2.776 -4.967 7.633 1.00 45.34 H new ATOM 0 HG3 GLU A 100 -1.209 -4.185 7.571 1.00 45.34 H new ATOM 1616 N ILE A 101 -3.328 -1.868 6.583 1.00 13.54 N ATOM 1617 CA ILE A 101 -4.203 -1.825 5.407 1.00 33.10 C ATOM 1618 C ILE A 101 -4.392 -3.223 4.797 1.00 63.04 C ATOM 1619 O ILE A 101 -3.454 -4.018 4.737 1.00 71.44 O ATOM 1620 CB ILE A 101 -3.615 -0.877 4.333 1.00 23.11 C ATOM 1621 CG1 ILE A 101 -3.193 0.451 4.982 1.00 45.14 C ATOM 1622 CG2 ILE A 101 -4.628 -0.630 3.209 1.00 23.31 C ATOM 1623 CD1 ILE A 101 -2.328 1.315 4.097 1.00 21.33 C ATOM 0 H ILE A 101 -2.397 -1.486 6.416 1.00 13.54 H new ATOM 0 HA ILE A 101 -5.174 -1.453 5.735 1.00 33.10 H new ATOM 0 HB ILE A 101 -2.737 -1.350 3.894 1.00 23.11 H new ATOM 0 HG12 ILE A 101 -4.087 1.010 5.257 1.00 45.14 H new ATOM 0 HG13 ILE A 101 -2.654 0.238 5.905 1.00 45.14 H new ATOM 0 HG21 ILE A 101 -4.192 0.039 2.467 1.00 23.31 H new ATOM 0 HG22 ILE A 101 -4.886 -1.578 2.737 1.00 23.31 H new ATOM 0 HG23 ILE A 101 -5.528 -0.175 3.623 1.00 23.31 H new ATOM 0 HD11 ILE A 101 -2.071 2.234 4.624 1.00 21.33 H new ATOM 0 HD12 ILE A 101 -1.416 0.776 3.842 1.00 21.33 H new ATOM 0 HD13 ILE A 101 -2.872 1.560 3.185 1.00 21.33 H new ATOM 1635 N ARG A 102 -5.605 -3.502 4.325 1.00 53.24 N ATOM 1636 CA ARG A 102 -5.964 -4.828 3.803 1.00 64.24 C ATOM 1637 C ARG A 102 -6.823 -4.720 2.531 1.00 20.45 C ATOM 1638 O ARG A 102 -7.983 -4.310 2.579 1.00 71.21 O ATOM 1639 CB ARG A 102 -6.700 -5.619 4.899 1.00 4.33 C ATOM 1640 CG ARG A 102 -7.593 -4.742 5.777 1.00 31.32 C ATOM 1641 CD ARG A 102 -8.237 -5.523 6.915 1.00 11.34 C ATOM 1642 NE ARG A 102 -8.830 -4.633 7.914 1.00 24.51 N ATOM 1643 CZ ARG A 102 -10.099 -4.598 8.213 1.00 13.33 C ATOM 1644 NH1 ARG A 102 -10.952 -5.328 7.563 1.00 21.32 N ATOM 1645 NH2 ARG A 102 -10.516 -3.809 9.152 1.00 44.24 N ATOM 0 H ARG A 102 -6.366 -2.823 4.291 1.00 53.24 H new ATOM 0 HA ARG A 102 -5.052 -5.356 3.526 1.00 64.24 H new ATOM 0 HB2 ARG A 102 -7.308 -6.394 4.433 1.00 4.33 H new ATOM 0 HB3 ARG A 102 -5.967 -6.125 5.528 1.00 4.33 H new ATOM 0 HG2 ARG A 102 -7.001 -3.925 6.190 1.00 31.32 H new ATOM 0 HG3 ARG A 102 -8.373 -4.292 5.162 1.00 31.32 H new ATOM 0 HD2 ARG A 102 -9.006 -6.183 6.514 1.00 11.34 H new ATOM 0 HD3 ARG A 102 -7.489 -6.157 7.391 1.00 11.34 H new ATOM 0 HE ARG A 102 -8.208 -3.996 8.411 1.00 24.51 H new ATOM 0 HH11 ARG A 102 -10.632 -5.937 6.810 1.00 21.32 H new ATOM 0 HH12 ARG A 102 -11.942 -5.293 7.805 1.00 21.32 H new ATOM 0 HH21 ARG A 102 -9.853 -3.219 9.654 1.00 44.24 H new ATOM 0 HH22 ARG A 102 -11.508 -3.778 9.389 1.00 44.24 H new ATOM 1659 N LEU A 103 -6.238 -5.076 1.388 1.00 43.04 N ATOM 1660 CA LEU A 103 -6.943 -5.016 0.100 1.00 23.54 C ATOM 1661 C LEU A 103 -7.078 -6.413 -0.524 1.00 53.01 C ATOM 1662 O LEU A 103 -6.099 -7.150 -0.628 1.00 42.34 O ATOM 1663 CB LEU A 103 -6.202 -4.087 -0.877 1.00 13.54 C ATOM 1664 CG LEU A 103 -5.865 -2.682 -0.344 1.00 32.34 C ATOM 1665 CD1 LEU A 103 -5.237 -1.829 -1.442 1.00 25.32 C ATOM 1666 CD2 LEU A 103 -7.104 -1.998 0.232 1.00 52.41 C ATOM 0 H LEU A 103 -5.276 -5.410 1.324 1.00 43.04 H new ATOM 0 HA LEU A 103 -7.941 -4.620 0.288 1.00 23.54 H new ATOM 0 HB2 LEU A 103 -5.274 -4.573 -1.177 1.00 13.54 H new ATOM 0 HB3 LEU A 103 -6.809 -3.978 -1.776 1.00 13.54 H new ATOM 0 HG LEU A 103 -5.141 -2.793 0.463 1.00 32.34 H new ATOM 0 HD11 LEU A 103 -5.006 -0.840 -1.047 1.00 25.32 H new ATOM 0 HD12 LEU A 103 -4.320 -2.304 -1.792 1.00 25.32 H new ATOM 0 HD13 LEU A 103 -5.936 -1.733 -2.273 1.00 25.32 H new ATOM 0 HD21 LEU A 103 -6.835 -1.008 0.600 1.00 52.41 H new ATOM 0 HD22 LEU A 103 -7.861 -1.902 -0.546 1.00 52.41 H new ATOM 0 HD23 LEU A 103 -7.501 -2.595 1.053 1.00 52.41 H new ATOM 1678 N THR A 104 -8.292 -6.775 -0.935 1.00 61.44 N ATOM 1679 CA THR A 104 -8.535 -8.065 -1.601 1.00 71.11 C ATOM 1680 C THR A 104 -9.214 -7.881 -2.964 1.00 4.32 C ATOM 1681 O THR A 104 -10.410 -7.600 -3.042 1.00 14.25 O ATOM 1682 CB THR A 104 -9.397 -9.010 -0.726 1.00 30.21 C ATOM 1683 OG1 THR A 104 -10.533 -8.304 -0.197 1.00 63.43 O ATOM 1684 CG2 THR A 104 -8.575 -9.592 0.419 1.00 13.35 C ATOM 0 H THR A 104 -9.125 -6.198 -0.821 1.00 61.44 H new ATOM 0 HA THR A 104 -7.556 -8.519 -1.752 1.00 71.11 H new ATOM 0 HB THR A 104 -9.745 -9.828 -1.357 1.00 30.21 H new ATOM 0 HG1 THR A 104 -10.947 -7.771 -0.908 1.00 63.43 H new ATOM 0 HG21 THR A 104 -9.202 -10.252 1.019 1.00 13.35 H new ATOM 0 HG22 THR A 104 -7.736 -10.158 0.014 1.00 13.35 H new ATOM 0 HG23 THR A 104 -8.198 -8.783 1.044 1.00 13.35 H new ATOM 1692 N ARG A 105 -8.437 -8.038 -4.036 1.00 32.43 N ATOM 1693 CA ARG A 105 -8.947 -7.867 -5.403 1.00 75.12 C ATOM 1694 C ARG A 105 -9.436 -9.195 -6.001 1.00 74.43 C ATOM 1695 O ARG A 105 -8.838 -10.250 -5.778 1.00 72.10 O ATOM 1696 CB ARG A 105 -7.870 -7.245 -6.303 1.00 3.34 C ATOM 1697 CG ARG A 105 -7.491 -5.822 -5.904 1.00 73.41 C ATOM 1698 CD ARG A 105 -8.696 -4.875 -5.940 1.00 74.12 C ATOM 1699 NE ARG A 105 -8.904 -4.203 -4.658 1.00 63.42 N ATOM 1700 CZ ARG A 105 -9.980 -4.325 -3.928 1.00 31.51 C ATOM 1701 NH1 ARG A 105 -10.972 -5.056 -4.324 1.00 31.44 N ATOM 1702 NH2 ARG A 105 -10.071 -3.701 -2.802 1.00 31.51 N ATOM 0 H ARG A 105 -7.448 -8.284 -3.987 1.00 32.43 H new ATOM 0 HA ARG A 105 -9.802 -7.193 -5.350 1.00 75.12 H new ATOM 0 HB2 ARG A 105 -6.978 -7.871 -6.275 1.00 3.34 H new ATOM 0 HB3 ARG A 105 -8.226 -7.242 -7.333 1.00 3.34 H new ATOM 0 HG2 ARG A 105 -7.065 -5.828 -4.901 1.00 73.41 H new ATOM 0 HG3 ARG A 105 -6.718 -5.451 -6.577 1.00 73.41 H new ATOM 0 HD2 ARG A 105 -8.547 -4.129 -6.720 1.00 74.12 H new ATOM 0 HD3 ARG A 105 -9.591 -5.438 -6.204 1.00 74.12 H new ATOM 0 HE ARG A 105 -8.159 -3.599 -4.311 1.00 63.42 H new ATOM 0 HH11 ARG A 105 -10.920 -5.546 -5.217 1.00 31.44 H new ATOM 0 HH12 ARG A 105 -11.806 -5.142 -3.743 1.00 31.44 H new ATOM 0 HH21 ARG A 105 -9.302 -3.112 -2.482 1.00 31.51 H new ATOM 0 HH22 ARG A 105 -10.912 -3.797 -2.232 1.00 31.51 H new ATOM 1716 N ILE A 106 -10.522 -9.129 -6.767 1.00 33.13 N ATOM 1717 CA ILE A 106 -11.132 -10.323 -7.362 1.00 74.51 C ATOM 1718 C ILE A 106 -10.692 -10.512 -8.823 1.00 52.42 C ATOM 1719 O ILE A 106 -11.003 -9.688 -9.687 1.00 41.54 O ATOM 1720 CB ILE A 106 -12.681 -10.240 -7.309 1.00 75.43 C ATOM 1721 CG1 ILE A 106 -13.163 -9.999 -5.867 1.00 41.32 C ATOM 1722 CG2 ILE A 106 -13.315 -11.507 -7.887 1.00 44.24 C ATOM 1723 CD1 ILE A 106 -12.744 -11.076 -4.886 1.00 12.31 C ATOM 0 H ILE A 106 -11.002 -8.258 -6.993 1.00 33.13 H new ATOM 0 HA ILE A 106 -10.792 -11.177 -6.776 1.00 74.51 H new ATOM 0 HB ILE A 106 -12.996 -9.395 -7.921 1.00 75.43 H new ATOM 0 HG12 ILE A 106 -12.778 -9.039 -5.522 1.00 41.32 H new ATOM 0 HG13 ILE A 106 -14.251 -9.925 -5.866 1.00 41.32 H new ATOM 0 HG21 ILE A 106 -14.401 -11.425 -7.839 1.00 44.24 H new ATOM 0 HG22 ILE A 106 -13.006 -11.627 -8.925 1.00 44.24 H new ATOM 0 HG23 ILE A 106 -12.991 -12.372 -7.309 1.00 44.24 H new ATOM 0 HD11 ILE A 106 -13.123 -10.832 -3.894 1.00 12.31 H new ATOM 0 HD12 ILE A 106 -13.151 -12.036 -5.204 1.00 12.31 H new ATOM 0 HD13 ILE A 106 -11.656 -11.136 -4.854 1.00 12.31 H new ATOM 1735 N LEU A 107 -9.959 -11.594 -9.087 1.00 42.23 N ATOM 1736 CA LEU A 107 -9.546 -11.945 -10.452 1.00 25.22 C ATOM 1737 C LEU A 107 -10.538 -12.951 -11.066 1.00 22.14 C ATOM 1738 O LEU A 107 -10.618 -14.095 -10.620 1.00 5.22 O ATOM 1739 CB LEU A 107 -8.112 -12.527 -10.420 1.00 34.34 C ATOM 1740 CG LEU A 107 -7.416 -12.770 -11.783 1.00 32.53 C ATOM 1741 CD1 LEU A 107 -7.944 -14.025 -12.477 1.00 2.21 C ATOM 1742 CD2 LEU A 107 -7.568 -11.552 -12.690 1.00 34.54 C ATOM 0 H LEU A 107 -9.637 -12.247 -8.373 1.00 42.23 H new ATOM 0 HA LEU A 107 -9.547 -11.051 -11.076 1.00 25.22 H new ATOM 0 HB2 LEU A 107 -7.486 -11.852 -9.837 1.00 34.34 H new ATOM 0 HB3 LEU A 107 -8.144 -13.475 -9.883 1.00 34.34 H new ATOM 0 HG LEU A 107 -6.356 -12.928 -11.583 1.00 32.53 H new ATOM 0 HD11 LEU A 107 -7.430 -14.158 -13.429 1.00 2.21 H new ATOM 0 HD12 LEU A 107 -7.765 -14.894 -11.843 1.00 2.21 H new ATOM 0 HD13 LEU A 107 -9.014 -13.920 -12.655 1.00 2.21 H new ATOM 0 HD21 LEU A 107 -7.072 -11.743 -13.642 1.00 34.54 H new ATOM 0 HD22 LEU A 107 -8.626 -11.358 -12.864 1.00 34.54 H new ATOM 0 HD23 LEU A 107 -7.114 -10.684 -12.212 1.00 34.54 H new ATOM 1754 N PRO A 108 -11.322 -12.533 -12.081 1.00 12.23 N ATOM 1755 CA PRO A 108 -12.291 -13.420 -12.751 1.00 52.24 C ATOM 1756 C PRO A 108 -11.628 -14.402 -13.737 1.00 34.32 C ATOM 1757 O PRO A 108 -10.812 -14.006 -14.573 1.00 31.23 O ATOM 1758 CB PRO A 108 -13.195 -12.431 -13.495 1.00 31.10 C ATOM 1759 CG PRO A 108 -12.301 -11.277 -13.809 1.00 31.42 C ATOM 1760 CD PRO A 108 -11.340 -11.168 -12.650 1.00 21.14 C ATOM 0 HA PRO A 108 -12.815 -14.063 -12.044 1.00 52.24 H new ATOM 0 HB2 PRO A 108 -13.607 -12.873 -14.402 1.00 31.10 H new ATOM 0 HB3 PRO A 108 -14.040 -12.123 -12.879 1.00 31.10 H new ATOM 0 HG2 PRO A 108 -11.767 -11.441 -14.745 1.00 31.42 H new ATOM 0 HG3 PRO A 108 -12.876 -10.359 -13.927 1.00 31.42 H new ATOM 0 HD2 PRO A 108 -10.348 -10.858 -12.980 1.00 21.14 H new ATOM 0 HD3 PRO A 108 -11.676 -10.433 -11.918 1.00 21.14 H new ATOM 1768 N PHE A 109 -11.980 -15.683 -13.634 1.00 63.31 N ATOM 1769 CA PHE A 109 -11.432 -16.709 -14.527 1.00 11.31 C ATOM 1770 C PHE A 109 -12.490 -17.741 -14.942 1.00 44.12 C ATOM 1771 O PHE A 109 -13.330 -18.157 -14.147 1.00 53.50 O ATOM 1772 CB PHE A 109 -10.243 -17.421 -13.860 1.00 14.44 C ATOM 1773 CG PHE A 109 -9.727 -18.614 -14.639 1.00 12.42 C ATOM 1774 CD1 PHE A 109 -9.018 -18.437 -15.819 1.00 72.22 C ATOM 1775 CD2 PHE A 109 -9.958 -19.911 -14.196 1.00 30.51 C ATOM 1776 CE1 PHE A 109 -8.550 -19.521 -16.538 1.00 71.10 C ATOM 1777 CE2 PHE A 109 -9.494 -20.998 -14.913 1.00 2.34 C ATOM 1778 CZ PHE A 109 -8.790 -20.802 -16.083 1.00 15.13 C ATOM 0 H PHE A 109 -12.641 -16.037 -12.943 1.00 63.31 H new ATOM 0 HA PHE A 109 -11.093 -16.200 -15.429 1.00 11.31 H new ATOM 0 HB2 PHE A 109 -9.431 -16.706 -13.729 1.00 14.44 H new ATOM 0 HB3 PHE A 109 -10.541 -17.751 -12.865 1.00 14.44 H new ATOM 0 HD1 PHE A 109 -8.829 -17.437 -16.181 1.00 72.22 H new ATOM 0 HD2 PHE A 109 -10.507 -20.072 -13.280 1.00 30.51 H new ATOM 0 HE1 PHE A 109 -7.998 -19.366 -17.453 1.00 71.10 H new ATOM 0 HE2 PHE A 109 -9.683 -22.000 -14.557 1.00 2.34 H new ATOM 0 HZ PHE A 109 -8.427 -21.651 -16.643 1.00 15.13 H new ATOM 1788 N LEU A 110 -12.429 -18.140 -16.207 1.00 44.13 N ATOM 1789 CA LEU A 110 -13.270 -19.212 -16.744 1.00 44.22 C ATOM 1790 C LEU A 110 -12.416 -20.151 -17.603 1.00 34.11 C ATOM 1791 O LEU A 110 -11.450 -19.712 -18.226 1.00 23.22 O ATOM 1792 CB LEU A 110 -14.415 -18.633 -17.594 1.00 45.01 C ATOM 1793 CG LEU A 110 -15.448 -17.781 -16.835 1.00 51.34 C ATOM 1794 CD1 LEU A 110 -16.468 -17.174 -17.799 1.00 50.21 C ATOM 1795 CD2 LEU A 110 -16.154 -18.615 -15.765 1.00 40.44 C ATOM 0 H LEU A 110 -11.795 -17.731 -16.893 1.00 44.13 H new ATOM 0 HA LEU A 110 -13.703 -19.765 -15.911 1.00 44.22 H new ATOM 0 HB2 LEU A 110 -13.981 -18.023 -18.387 1.00 45.01 H new ATOM 0 HB3 LEU A 110 -14.937 -19.459 -18.077 1.00 45.01 H new ATOM 0 HG LEU A 110 -14.917 -16.966 -16.343 1.00 51.34 H new ATOM 0 HD11 LEU A 110 -17.187 -16.576 -17.239 1.00 50.21 H new ATOM 0 HD12 LEU A 110 -15.954 -16.540 -18.521 1.00 50.21 H new ATOM 0 HD13 LEU A 110 -16.991 -17.972 -18.325 1.00 50.21 H new ATOM 0 HD21 LEU A 110 -16.880 -17.994 -15.240 1.00 40.44 H new ATOM 0 HD22 LEU A 110 -16.667 -19.453 -16.237 1.00 40.44 H new ATOM 0 HD23 LEU A 110 -15.419 -18.993 -15.055 1.00 40.44 H new ATOM 1807 N ASP A 111 -12.769 -21.431 -17.652 1.00 21.42 N ATOM 1808 CA ASP A 111 -12.017 -22.402 -18.461 1.00 35.53 C ATOM 1809 C ASP A 111 -11.914 -21.962 -19.939 1.00 45.00 C ATOM 1810 O ASP A 111 -10.933 -22.270 -20.622 1.00 31.43 O ATOM 1811 CB ASP A 111 -12.656 -23.792 -18.347 1.00 14.44 C ATOM 1812 CG ASP A 111 -14.146 -23.764 -18.632 1.00 73.02 C ATOM 1813 OD1 ASP A 111 -14.915 -23.353 -17.738 1.00 70.44 O ATOM 1814 OD2 ASP A 111 -14.554 -24.131 -19.749 1.00 42.32 O ATOM 0 H ASP A 111 -13.564 -21.825 -17.148 1.00 21.42 H new ATOM 0 HA ASP A 111 -11.001 -22.448 -18.069 1.00 35.53 H new ATOM 0 HB2 ASP A 111 -12.167 -24.473 -19.044 1.00 14.44 H new ATOM 0 HB3 ASP A 111 -12.487 -24.186 -17.345 1.00 14.44 H new ATOM 1819 N ALA A 112 -12.920 -21.226 -20.419 1.00 23.12 N ATOM 1820 CA ALA A 112 -12.910 -20.687 -21.788 1.00 5.12 C ATOM 1821 C ALA A 112 -12.151 -19.350 -21.882 1.00 53.13 C ATOM 1822 O ALA A 112 -11.735 -18.933 -22.965 1.00 64.10 O ATOM 1823 CB ALA A 112 -14.340 -20.521 -22.292 1.00 62.02 C ATOM 0 H ALA A 112 -13.754 -20.988 -19.882 1.00 23.12 H new ATOM 0 HA ALA A 112 -12.381 -21.402 -22.419 1.00 5.12 H new ATOM 0 HB1 ALA A 112 -14.324 -20.122 -23.306 1.00 62.02 H new ATOM 0 HB2 ALA A 112 -14.841 -21.489 -22.291 1.00 62.02 H new ATOM 0 HB3 ALA A 112 -14.878 -19.833 -21.640 1.00 62.02 H new ATOM 1829 N GLN A 113 -11.959 -18.684 -20.743 1.00 42.13 N ATOM 1830 CA GLN A 113 -11.307 -17.365 -20.714 1.00 63.15 C ATOM 1831 C GLN A 113 -9.813 -17.445 -20.375 1.00 33.41 C ATOM 1832 O GLN A 113 -9.428 -17.667 -19.226 1.00 20.23 O ATOM 1833 CB GLN A 113 -12.020 -16.424 -19.724 1.00 62.42 C ATOM 1834 CG GLN A 113 -13.125 -15.594 -20.363 1.00 73.15 C ATOM 1835 CD GLN A 113 -12.577 -14.595 -21.373 1.00 43.02 C ATOM 1836 OE1 GLN A 113 -11.442 -14.134 -21.259 1.00 64.41 O ATOM 1837 NE2 GLN A 113 -13.374 -14.243 -22.360 1.00 31.25 N ATOM 0 H GLN A 113 -12.244 -19.032 -19.827 1.00 42.13 H new ATOM 0 HA GLN A 113 -11.388 -16.961 -21.723 1.00 63.15 H new ATOM 0 HB2 GLN A 113 -12.444 -17.016 -18.913 1.00 62.42 H new ATOM 0 HB3 GLN A 113 -11.285 -15.754 -19.278 1.00 62.42 H new ATOM 0 HG2 GLN A 113 -13.836 -16.256 -20.857 1.00 73.15 H new ATOM 0 HG3 GLN A 113 -13.673 -15.061 -19.586 1.00 73.15 H new ATOM 0 HE21 GLN A 113 -14.310 -14.643 -22.427 1.00 31.25 H new ATOM 0 HE22 GLN A 113 -13.056 -13.570 -23.057 1.00 31.25 H new ATOM 1846 N GLU A 114 -8.976 -17.270 -21.391 1.00 54.44 N ATOM 1847 CA GLU A 114 -7.530 -17.150 -21.191 1.00 13.10 C ATOM 1848 C GLU A 114 -7.076 -15.685 -21.318 1.00 4.44 C ATOM 1849 O GLU A 114 -5.990 -15.317 -20.869 1.00 73.21 O ATOM 1850 CB GLU A 114 -6.779 -18.029 -22.203 1.00 55.33 C ATOM 1851 CG GLU A 114 -7.051 -17.666 -23.662 1.00 53.22 C ATOM 1852 CD GLU A 114 -6.313 -18.567 -24.640 1.00 44.24 C ATOM 1853 OE1 GLU A 114 -5.155 -18.252 -24.991 1.00 64.34 O ATOM 1854 OE2 GLU A 114 -6.882 -19.597 -25.055 1.00 11.21 O ATOM 0 H GLU A 114 -9.271 -17.207 -22.365 1.00 54.44 H new ATOM 0 HA GLU A 114 -7.296 -17.492 -20.183 1.00 13.10 H new ATOM 0 HB2 GLU A 114 -5.709 -17.951 -22.013 1.00 55.33 H new ATOM 0 HB3 GLU A 114 -7.056 -19.071 -22.040 1.00 55.33 H new ATOM 0 HG2 GLU A 114 -8.122 -17.729 -23.854 1.00 53.22 H new ATOM 0 HG3 GLU A 114 -6.757 -16.631 -23.835 1.00 53.22 H new ATOM 1861 N LEU A 115 -7.928 -14.847 -21.916 1.00 12.04 N ATOM 1862 CA LEU A 115 -7.599 -13.433 -22.153 1.00 4.43 C ATOM 1863 C LEU A 115 -7.615 -12.627 -20.845 1.00 22.23 C ATOM 1864 O LEU A 115 -6.673 -11.891 -20.547 1.00 63.42 O ATOM 1865 CB LEU A 115 -8.581 -12.802 -23.161 1.00 72.31 C ATOM 1866 CG LEU A 115 -8.557 -13.378 -24.594 1.00 32.03 C ATOM 1867 CD1 LEU A 115 -7.134 -13.430 -25.142 1.00 62.15 C ATOM 1868 CD2 LEU A 115 -9.220 -14.755 -24.651 1.00 74.32 C ATOM 0 H LEU A 115 -8.853 -15.121 -22.246 1.00 12.04 H new ATOM 0 HA LEU A 115 -6.592 -13.401 -22.568 1.00 4.43 H new ATOM 0 HB2 LEU A 115 -9.591 -12.909 -22.767 1.00 72.31 H new ATOM 0 HB3 LEU A 115 -8.373 -11.734 -23.218 1.00 72.31 H new ATOM 0 HG LEU A 115 -9.135 -12.707 -25.229 1.00 32.03 H new ATOM 0 HD11 LEU A 115 -7.148 -13.840 -26.152 1.00 62.15 H new ATOM 0 HD12 LEU A 115 -6.716 -12.424 -25.164 1.00 62.15 H new ATOM 0 HD13 LEU A 115 -6.520 -14.064 -24.502 1.00 62.15 H new ATOM 0 HD21 LEU A 115 -9.187 -15.133 -25.673 1.00 74.32 H new ATOM 0 HD22 LEU A 115 -8.689 -15.442 -23.993 1.00 74.32 H new ATOM 0 HD23 LEU A 115 -10.258 -14.673 -24.328 1.00 74.32 H new ATOM 1880 N ALA A 116 -8.688 -12.788 -20.067 1.00 3.41 N ATOM 1881 CA ALA A 116 -8.875 -12.059 -18.800 1.00 0.15 C ATOM 1882 C ALA A 116 -7.652 -12.154 -17.863 1.00 51.13 C ATOM 1883 O ALA A 116 -7.406 -11.262 -17.052 1.00 35.51 O ATOM 1884 CB ALA A 116 -10.126 -12.578 -18.092 1.00 3.54 C ATOM 0 H ALA A 116 -9.453 -13.424 -20.292 1.00 3.41 H new ATOM 0 HA ALA A 116 -8.993 -11.004 -19.048 1.00 0.15 H new ATOM 0 HB1 ALA A 116 -10.264 -12.039 -17.155 1.00 3.54 H new ATOM 0 HB2 ALA A 116 -10.996 -12.424 -18.731 1.00 3.54 H new ATOM 0 HB3 ALA A 116 -10.012 -13.642 -17.885 1.00 3.54 H new ATOM 1890 N LYS A 117 -6.878 -13.227 -17.998 1.00 1.44 N ATOM 1891 CA LYS A 117 -5.729 -13.478 -17.117 1.00 34.11 C ATOM 1892 C LYS A 117 -4.566 -12.490 -17.347 1.00 45.53 C ATOM 1893 O LYS A 117 -3.677 -12.364 -16.505 1.00 10.34 O ATOM 1894 CB LYS A 117 -5.238 -14.919 -17.319 1.00 32.41 C ATOM 1895 CG LYS A 117 -6.274 -15.981 -16.952 1.00 14.12 C ATOM 1896 CD LYS A 117 -6.587 -15.979 -15.457 1.00 44.31 C ATOM 1897 CE LYS A 117 -5.382 -16.404 -14.625 1.00 24.41 C ATOM 1898 NZ LYS A 117 -4.932 -17.778 -14.972 1.00 50.24 N ATOM 0 H LYS A 117 -7.022 -13.943 -18.711 1.00 1.44 H new ATOM 0 HA LYS A 117 -6.068 -13.330 -16.092 1.00 34.11 H new ATOM 0 HB2 LYS A 117 -4.949 -15.052 -18.362 1.00 32.41 H new ATOM 0 HB3 LYS A 117 -4.342 -15.075 -16.718 1.00 32.41 H new ATOM 0 HG2 LYS A 117 -7.190 -15.804 -17.515 1.00 14.12 H new ATOM 0 HG3 LYS A 117 -5.905 -16.964 -17.244 1.00 14.12 H new ATOM 0 HD2 LYS A 117 -6.904 -14.981 -15.154 1.00 44.31 H new ATOM 0 HD3 LYS A 117 -7.421 -16.653 -15.259 1.00 44.31 H new ATOM 0 HE2 LYS A 117 -4.564 -15.702 -14.784 1.00 24.41 H new ATOM 0 HE3 LYS A 117 -5.637 -16.361 -13.566 1.00 24.41 H new ATOM 0 HZ1 LYS A 117 -4.304 -18.137 -14.224 1.00 50.24 H new ATOM 0 HZ2 LYS A 117 -5.759 -18.402 -15.059 1.00 50.24 H new ATOM 0 HZ3 LYS A 117 -4.417 -17.757 -15.875 1.00 50.24 H new ATOM 1912 N ALA A 118 -4.572 -11.797 -18.484 1.00 34.13 N ATOM 1913 CA ALA A 118 -3.487 -10.862 -18.826 1.00 24.12 C ATOM 1914 C ALA A 118 -3.740 -9.449 -18.273 1.00 14.32 C ATOM 1915 O ALA A 118 -3.047 -8.994 -17.359 1.00 61.24 O ATOM 1916 CB ALA A 118 -3.295 -10.816 -20.339 1.00 34.10 C ATOM 0 H ALA A 118 -5.310 -11.860 -19.185 1.00 34.13 H new ATOM 0 HA ALA A 118 -2.575 -11.231 -18.356 1.00 24.12 H new ATOM 0 HB1 ALA A 118 -2.491 -10.122 -20.583 1.00 34.10 H new ATOM 0 HB2 ALA A 118 -3.039 -11.811 -20.704 1.00 34.10 H new ATOM 0 HB3 ALA A 118 -4.218 -10.482 -20.813 1.00 34.10 H new ATOM 1922 N ALA A 119 -4.736 -8.760 -18.833 1.00 14.22 N ATOM 1923 CA ALA A 119 -5.034 -7.373 -18.449 1.00 15.51 C ATOM 1924 C ALA A 119 -5.531 -7.258 -17.001 1.00 73.32 C ATOM 1925 O ALA A 119 -4.967 -6.506 -16.204 1.00 5.13 O ATOM 1926 CB ALA A 119 -6.060 -6.773 -19.406 1.00 24.25 C ATOM 0 H ALA A 119 -5.351 -9.137 -19.554 1.00 14.22 H new ATOM 0 HA ALA A 119 -4.101 -6.814 -18.513 1.00 15.51 H new ATOM 0 HB1 ALA A 119 -6.274 -5.745 -19.113 1.00 24.25 H new ATOM 0 HB2 ALA A 119 -5.662 -6.785 -20.421 1.00 24.25 H new ATOM 0 HB3 ALA A 119 -6.978 -7.359 -19.369 1.00 24.25 H new ATOM 1932 N GLU A 120 -6.575 -8.015 -16.660 1.00 22.10 N ATOM 1933 CA GLU A 120 -7.200 -7.923 -15.333 1.00 41.25 C ATOM 1934 C GLU A 120 -6.191 -8.167 -14.195 1.00 0.04 C ATOM 1935 O GLU A 120 -6.023 -7.318 -13.318 1.00 0.31 O ATOM 1936 CB GLU A 120 -8.376 -8.911 -15.228 1.00 73.30 C ATOM 1937 CG GLU A 120 -9.668 -8.438 -15.900 1.00 63.00 C ATOM 1938 CD GLU A 120 -9.493 -8.032 -17.360 1.00 40.11 C ATOM 1939 OE1 GLU A 120 -9.637 -8.893 -18.251 1.00 12.53 O ATOM 1940 OE2 GLU A 120 -9.230 -6.841 -17.622 1.00 20.54 O ATOM 0 H GLU A 120 -7.008 -8.699 -17.281 1.00 22.10 H new ATOM 0 HA GLU A 120 -7.573 -6.905 -15.220 1.00 41.25 H new ATOM 0 HB2 GLU A 120 -8.077 -9.860 -15.673 1.00 73.30 H new ATOM 0 HB3 GLU A 120 -8.579 -9.103 -14.174 1.00 73.30 H new ATOM 0 HG2 GLU A 120 -10.409 -9.235 -15.841 1.00 63.00 H new ATOM 0 HG3 GLU A 120 -10.066 -7.590 -15.343 1.00 63.00 H new ATOM 1947 N GLU A 121 -5.508 -9.314 -14.221 1.00 34.14 N ATOM 1948 CA GLU A 121 -4.548 -9.665 -13.161 1.00 5.41 C ATOM 1949 C GLU A 121 -3.447 -8.596 -13.021 1.00 2.21 C ATOM 1950 O GLU A 121 -3.115 -8.173 -11.910 1.00 1.04 O ATOM 1951 CB GLU A 121 -3.925 -11.043 -13.432 1.00 63.13 C ATOM 1952 CG GLU A 121 -3.140 -11.599 -12.247 1.00 44.22 C ATOM 1953 CD GLU A 121 -2.601 -13.001 -12.491 1.00 24.42 C ATOM 1954 OE1 GLU A 121 -3.399 -13.903 -12.822 1.00 35.14 O ATOM 1955 OE2 GLU A 121 -1.381 -13.219 -12.337 1.00 64.53 O ATOM 0 H GLU A 121 -5.598 -10.014 -14.957 1.00 34.14 H new ATOM 0 HA GLU A 121 -5.095 -9.706 -12.219 1.00 5.41 H new ATOM 0 HB2 GLU A 121 -4.716 -11.745 -13.696 1.00 63.13 H new ATOM 0 HB3 GLU A 121 -3.263 -10.970 -14.295 1.00 63.13 H new ATOM 0 HG2 GLU A 121 -2.308 -10.930 -12.024 1.00 44.22 H new ATOM 0 HG3 GLU A 121 -3.783 -11.612 -11.367 1.00 44.22 H new ATOM 1962 N GLU A 122 -2.902 -8.148 -14.156 1.00 62.12 N ATOM 1963 CA GLU A 122 -1.894 -7.080 -14.169 1.00 11.40 C ATOM 1964 C GLU A 122 -2.435 -5.799 -13.512 1.00 22.12 C ATOM 1965 O GLU A 122 -1.811 -5.234 -12.609 1.00 12.23 O ATOM 1966 CB GLU A 122 -1.472 -6.765 -15.609 1.00 32.55 C ATOM 1967 CG GLU A 122 -0.453 -5.634 -15.713 1.00 34.24 C ATOM 1968 CD GLU A 122 -0.273 -5.136 -17.136 1.00 32.14 C ATOM 1969 OE1 GLU A 122 0.516 -5.743 -17.891 1.00 64.24 O ATOM 1970 OE2 GLU A 122 -0.927 -4.137 -17.509 1.00 24.21 O ATOM 0 H GLU A 122 -3.141 -8.508 -15.080 1.00 62.12 H new ATOM 0 HA GLU A 122 -1.033 -7.431 -13.601 1.00 11.40 H new ATOM 0 HB2 GLU A 122 -1.052 -7.664 -16.061 1.00 32.55 H new ATOM 0 HB3 GLU A 122 -2.357 -6.500 -16.188 1.00 32.55 H new ATOM 0 HG2 GLU A 122 -0.770 -4.805 -15.080 1.00 34.24 H new ATOM 0 HG3 GLU A 122 0.507 -5.979 -15.329 1.00 34.24 H new ATOM 1977 N MET A 123 -3.601 -5.348 -13.974 1.00 73.11 N ATOM 1978 CA MET A 123 -4.218 -4.122 -13.464 1.00 23.11 C ATOM 1979 C MET A 123 -4.520 -4.222 -11.964 1.00 14.52 C ATOM 1980 O MET A 123 -4.405 -3.237 -11.236 1.00 52.24 O ATOM 1981 CB MET A 123 -5.503 -3.802 -14.239 1.00 51.30 C ATOM 1982 CG MET A 123 -5.261 -3.420 -15.696 1.00 44.34 C ATOM 1983 SD MET A 123 -6.788 -3.046 -16.589 1.00 64.01 S ATOM 1984 CE MET A 123 -7.471 -1.731 -15.580 1.00 43.04 C ATOM 0 H MET A 123 -4.140 -5.815 -14.703 1.00 73.11 H new ATOM 0 HA MET A 123 -3.503 -3.312 -13.610 1.00 23.11 H new ATOM 0 HB2 MET A 123 -6.163 -4.669 -14.205 1.00 51.30 H new ATOM 0 HB3 MET A 123 -6.024 -2.985 -13.740 1.00 51.30 H new ATOM 0 HG2 MET A 123 -4.602 -2.553 -15.734 1.00 44.34 H new ATOM 0 HG3 MET A 123 -4.743 -4.236 -16.199 1.00 44.34 H new ATOM 0 HE1 MET A 123 -8.183 -1.153 -16.169 1.00 43.04 H new ATOM 0 HE2 MET A 123 -7.979 -2.161 -14.717 1.00 43.04 H new ATOM 0 HE3 MET A 123 -6.667 -1.078 -15.240 1.00 43.04 H new ATOM 1994 N LEU A 124 -4.897 -5.416 -11.508 1.00 72.33 N ATOM 1995 CA LEU A 124 -5.210 -5.639 -10.093 1.00 21.53 C ATOM 1996 C LEU A 124 -3.954 -5.563 -9.203 1.00 5.43 C ATOM 1997 O LEU A 124 -4.015 -5.052 -8.084 1.00 14.43 O ATOM 1998 CB LEU A 124 -5.919 -6.987 -9.902 1.00 43.05 C ATOM 1999 CG LEU A 124 -7.313 -7.093 -10.545 1.00 53.42 C ATOM 2000 CD1 LEU A 124 -7.910 -8.481 -10.323 1.00 13.52 C ATOM 2001 CD2 LEU A 124 -8.240 -6.010 -10.000 1.00 3.02 C ATOM 0 H LEU A 124 -4.994 -6.244 -12.095 1.00 72.33 H new ATOM 0 HA LEU A 124 -5.880 -4.838 -9.782 1.00 21.53 H new ATOM 0 HB2 LEU A 124 -5.286 -7.773 -10.314 1.00 43.05 H new ATOM 0 HB3 LEU A 124 -6.014 -7.181 -8.834 1.00 43.05 H new ATOM 0 HG LEU A 124 -7.205 -6.941 -11.619 1.00 53.42 H new ATOM 0 HD11 LEU A 124 -8.895 -8.532 -10.786 1.00 13.52 H new ATOM 0 HD12 LEU A 124 -7.260 -9.233 -10.770 1.00 13.52 H new ATOM 0 HD13 LEU A 124 -8.002 -8.671 -9.254 1.00 13.52 H new ATOM 0 HD21 LEU A 124 -9.221 -6.102 -10.467 1.00 3.02 H new ATOM 0 HD22 LEU A 124 -8.340 -6.126 -8.921 1.00 3.02 H new ATOM 0 HD23 LEU A 124 -7.823 -5.028 -10.223 1.00 3.02 H new ATOM 2013 N TYR A 125 -2.818 -6.064 -9.697 1.00 73.44 N ATOM 2014 CA TYR A 125 -1.546 -5.956 -8.960 1.00 45.40 C ATOM 2015 C TYR A 125 -1.196 -4.490 -8.657 1.00 4.14 C ATOM 2016 O TYR A 125 -1.073 -4.091 -7.497 1.00 41.54 O ATOM 2017 CB TYR A 125 -0.392 -6.606 -9.741 1.00 61.34 C ATOM 2018 CG TYR A 125 -0.388 -8.123 -9.710 1.00 15.12 C ATOM 2019 CD1 TYR A 125 -0.604 -8.814 -8.521 1.00 50.14 C ATOM 2020 CD2 TYR A 125 -0.162 -8.863 -10.865 1.00 61.43 C ATOM 2021 CE1 TYR A 125 -0.587 -10.194 -8.483 1.00 21.24 C ATOM 2022 CE2 TYR A 125 -0.140 -10.244 -10.833 1.00 2.13 C ATOM 2023 CZ TYR A 125 -0.359 -10.904 -9.641 1.00 51.33 C ATOM 2024 OH TYR A 125 -0.330 -12.278 -9.607 1.00 42.35 O ATOM 0 H TYR A 125 -2.748 -6.544 -10.594 1.00 73.44 H new ATOM 0 HA TYR A 125 -1.680 -6.488 -8.018 1.00 45.40 H new ATOM 0 HB2 TYR A 125 -0.441 -6.276 -10.779 1.00 61.34 H new ATOM 0 HB3 TYR A 125 0.553 -6.244 -9.336 1.00 61.34 H new ATOM 0 HD1 TYR A 125 -0.788 -8.261 -7.612 1.00 50.14 H new ATOM 0 HD2 TYR A 125 -0.001 -8.350 -11.802 1.00 61.43 H new ATOM 0 HE1 TYR A 125 -0.752 -10.714 -7.551 1.00 21.24 H new ATOM 0 HE2 TYR A 125 0.048 -10.805 -11.737 1.00 2.13 H new ATOM 0 HH TYR A 125 0.479 -12.599 -10.058 1.00 42.35 H new ATOM 2034 N LYS A 126 -1.041 -3.692 -9.708 1.00 40.20 N ATOM 2035 CA LYS A 126 -0.733 -2.268 -9.545 1.00 64.22 C ATOM 2036 C LYS A 126 -1.915 -1.492 -8.935 1.00 53.32 C ATOM 2037 O LYS A 126 -1.736 -0.387 -8.425 1.00 0.42 O ATOM 2038 CB LYS A 126 -0.297 -1.659 -10.885 1.00 11.43 C ATOM 2039 CG LYS A 126 -1.216 -1.991 -12.058 1.00 34.33 C ATOM 2040 CD LYS A 126 -0.601 -1.555 -13.385 1.00 43.01 C ATOM 2041 CE LYS A 126 -1.368 -2.104 -14.586 1.00 51.52 C ATOM 2042 NZ LYS A 126 -0.654 -1.850 -15.865 1.00 61.42 N ATOM 0 H LYS A 126 -1.122 -4.000 -10.677 1.00 40.20 H new ATOM 0 HA LYS A 126 0.096 -2.183 -8.842 1.00 64.22 H new ATOM 0 HB2 LYS A 126 -0.243 -0.576 -10.777 1.00 11.43 H new ATOM 0 HB3 LYS A 126 0.709 -2.007 -11.118 1.00 11.43 H new ATOM 0 HG2 LYS A 126 -1.409 -3.064 -12.079 1.00 34.33 H new ATOM 0 HG3 LYS A 126 -2.178 -1.497 -11.921 1.00 34.33 H new ATOM 0 HD2 LYS A 126 -0.583 -0.466 -13.435 1.00 43.01 H new ATOM 0 HD3 LYS A 126 0.434 -1.893 -13.432 1.00 43.01 H new ATOM 0 HE2 LYS A 126 -1.518 -3.176 -14.461 1.00 51.52 H new ATOM 0 HE3 LYS A 126 -2.356 -1.646 -14.625 1.00 51.52 H new ATOM 0 HZ1 LYS A 126 -0.752 -2.677 -16.488 1.00 61.42 H new ATOM 0 HZ2 LYS A 126 -1.063 -1.015 -16.331 1.00 61.42 H new ATOM 0 HZ3 LYS A 126 0.354 -1.680 -15.672 1.00 61.42 H new ATOM 2056 N ASP A 127 -3.116 -2.074 -8.980 1.00 34.22 N ATOM 2057 CA ASP A 127 -4.280 -1.500 -8.290 1.00 72.41 C ATOM 2058 C ASP A 127 -4.094 -1.591 -6.768 1.00 34.53 C ATOM 2059 O ASP A 127 -4.403 -0.651 -6.032 1.00 34.41 O ATOM 2060 CB ASP A 127 -5.565 -2.230 -8.702 1.00 64.14 C ATOM 2061 CG ASP A 127 -6.819 -1.518 -8.227 1.00 31.12 C ATOM 2062 OD1 ASP A 127 -7.288 -0.603 -8.937 1.00 2.44 O ATOM 2063 OD2 ASP A 127 -7.340 -1.866 -7.146 1.00 32.11 O ATOM 0 H ASP A 127 -3.310 -2.939 -9.484 1.00 34.22 H new ATOM 0 HA ASP A 127 -4.365 -0.452 -8.576 1.00 72.41 H new ATOM 0 HB2 ASP A 127 -5.594 -2.323 -9.788 1.00 64.14 H new ATOM 0 HB3 ASP A 127 -5.550 -3.241 -8.296 1.00 64.14 H new ATOM 2068 N MET A 128 -3.589 -2.737 -6.305 1.00 34.35 N ATOM 2069 CA MET A 128 -3.292 -2.930 -4.884 1.00 20.15 C ATOM 2070 C MET A 128 -2.204 -1.952 -4.420 1.00 41.33 C ATOM 2071 O MET A 128 -2.350 -1.302 -3.387 1.00 30.42 O ATOM 2072 CB MET A 128 -2.864 -4.378 -4.605 1.00 73.24 C ATOM 2073 CG MET A 128 -3.949 -5.403 -4.912 1.00 22.24 C ATOM 2074 SD MET A 128 -3.499 -7.077 -4.411 1.00 54.11 S ATOM 2075 CE MET A 128 -2.042 -7.368 -5.411 1.00 45.23 C ATOM 0 H MET A 128 -3.378 -3.544 -6.892 1.00 34.35 H new ATOM 0 HA MET A 128 -4.203 -2.728 -4.320 1.00 20.15 H new ATOM 0 HB2 MET A 128 -1.980 -4.608 -5.199 1.00 73.24 H new ATOM 0 HB3 MET A 128 -2.576 -4.468 -3.557 1.00 73.24 H new ATOM 0 HG2 MET A 128 -4.869 -5.113 -4.405 1.00 22.24 H new ATOM 0 HG3 MET A 128 -4.158 -5.394 -5.982 1.00 22.24 H new ATOM 0 HE1 MET A 128 -2.248 -8.159 -6.133 1.00 45.23 H new ATOM 0 HE2 MET A 128 -1.776 -6.453 -5.941 1.00 45.23 H new ATOM 0 HE3 MET A 128 -1.214 -7.669 -4.769 1.00 45.23 H new ATOM 2085 N GLN A 129 -1.124 -1.844 -5.199 1.00 62.44 N ATOM 2086 CA GLN A 129 -0.069 -0.859 -4.917 1.00 11.42 C ATOM 2087 C GLN A 129 -0.641 0.565 -4.872 1.00 32.23 C ATOM 2088 O GLN A 129 -0.482 1.279 -3.882 1.00 72.01 O ATOM 2089 CB GLN A 129 1.054 -0.925 -5.969 1.00 13.20 C ATOM 2090 CG GLN A 129 1.964 -2.144 -5.857 1.00 73.44 C ATOM 2091 CD GLN A 129 2.473 -2.359 -4.444 1.00 22.24 C ATOM 2092 OE1 GLN A 129 3.518 -1.648 -4.061 1.00 2.01 O flip ATOM 2093 NE2 GLN A 129 1.904 -3.129 -3.684 1.00 51.41 N flip ATOM 0 H GLN A 129 -0.955 -2.420 -6.024 1.00 62.44 H new ATOM 0 HA GLN A 129 0.348 -1.107 -3.941 1.00 11.42 H new ATOM 0 HB2 GLN A 129 0.604 -0.915 -6.962 1.00 13.20 H new ATOM 0 HB3 GLN A 129 1.664 -0.025 -5.886 1.00 13.20 H new ATOM 0 HG2 GLN A 129 1.420 -3.031 -6.183 1.00 73.44 H new ATOM 0 HG3 GLN A 129 2.812 -2.024 -6.531 1.00 73.44 H new ATOM 0 HE21 GLN A 129 1.099 -3.665 -4.009 1.00 51.41 H new ATOM 0 HE22 GLN A 129 2.234 -3.236 -2.725 1.00 51.41 H new ATOM 2102 N LYS A 130 -1.313 0.960 -5.953 1.00 54.23 N ATOM 2103 CA LYS A 130 -1.885 2.304 -6.083 1.00 21.43 C ATOM 2104 C LYS A 130 -2.821 2.652 -4.915 1.00 2.14 C ATOM 2105 O LYS A 130 -2.607 3.644 -4.220 1.00 30.54 O ATOM 2106 CB LYS A 130 -2.632 2.418 -7.422 1.00 22.44 C ATOM 2107 CG LYS A 130 -3.325 3.762 -7.655 1.00 25.12 C ATOM 2108 CD LYS A 130 -3.885 3.862 -9.075 1.00 31.22 C ATOM 2109 CE LYS A 130 -4.751 5.104 -9.276 1.00 72.05 C ATOM 2110 NZ LYS A 130 -4.046 6.359 -8.898 1.00 32.21 N ATOM 0 H LYS A 130 -1.477 0.361 -6.762 1.00 54.23 H new ATOM 0 HA LYS A 130 -1.064 3.021 -6.057 1.00 21.43 H new ATOM 0 HB2 LYS A 130 -1.925 2.244 -8.233 1.00 22.44 H new ATOM 0 HB3 LYS A 130 -3.379 1.626 -7.475 1.00 22.44 H new ATOM 0 HG2 LYS A 130 -4.133 3.886 -6.934 1.00 25.12 H new ATOM 0 HG3 LYS A 130 -2.617 4.573 -7.483 1.00 25.12 H new ATOM 0 HD2 LYS A 130 -3.060 3.879 -9.787 1.00 31.22 H new ATOM 0 HD3 LYS A 130 -4.476 2.972 -9.293 1.00 31.22 H new ATOM 0 HE2 LYS A 130 -5.057 5.164 -10.320 1.00 72.05 H new ATOM 0 HE3 LYS A 130 -5.660 5.009 -8.682 1.00 72.05 H new ATOM 0 HZ1 LYS A 130 -4.622 7.179 -9.178 1.00 32.21 H new ATOM 0 HZ2 LYS A 130 -3.896 6.377 -7.869 1.00 32.21 H new ATOM 0 HZ3 LYS A 130 -3.127 6.400 -9.382 1.00 32.21 H new ATOM 2124 N ASP A 131 -3.843 1.835 -4.686 1.00 22.23 N ATOM 2125 CA ASP A 131 -4.829 2.133 -3.647 1.00 62.11 C ATOM 2126 C ASP A 131 -4.210 2.070 -2.238 1.00 25.44 C ATOM 2127 O ASP A 131 -4.425 2.969 -1.423 1.00 23.24 O ATOM 2128 CB ASP A 131 -6.031 1.184 -3.755 1.00 63.22 C ATOM 2129 CG ASP A 131 -7.204 1.654 -2.909 1.00 33.21 C ATOM 2130 OD1 ASP A 131 -7.796 2.703 -3.244 1.00 63.52 O ATOM 2131 OD2 ASP A 131 -7.532 0.995 -1.901 1.00 34.24 O ATOM 0 H ASP A 131 -4.012 0.969 -5.198 1.00 22.23 H new ATOM 0 HA ASP A 131 -5.176 3.154 -3.806 1.00 62.11 H new ATOM 0 HB2 ASP A 131 -6.342 1.110 -4.797 1.00 63.22 H new ATOM 0 HB3 ASP A 131 -5.733 0.184 -3.439 1.00 63.22 H new ATOM 2136 N ALA A 132 -3.424 1.022 -1.963 1.00 22.35 N ATOM 2137 CA ALA A 132 -2.792 0.850 -0.643 1.00 65.33 C ATOM 2138 C ALA A 132 -1.866 2.019 -0.291 1.00 53.35 C ATOM 2139 O ALA A 132 -1.934 2.564 0.810 1.00 21.51 O ATOM 2140 CB ALA A 132 -2.012 -0.458 -0.580 1.00 11.11 C ATOM 0 H ALA A 132 -3.209 0.282 -2.631 1.00 22.35 H new ATOM 0 HA ALA A 132 -3.598 0.825 0.090 1.00 65.33 H new ATOM 0 HB1 ALA A 132 -1.555 -0.562 0.404 1.00 11.11 H new ATOM 0 HB2 ALA A 132 -2.689 -1.294 -0.756 1.00 11.11 H new ATOM 0 HB3 ALA A 132 -1.234 -0.455 -1.343 1.00 11.11 H new ATOM 2146 N VAL A 133 -0.998 2.402 -1.222 1.00 44.43 N ATOM 2147 CA VAL A 133 -0.059 3.497 -0.976 1.00 11.12 C ATOM 2148 C VAL A 133 -0.799 4.837 -0.764 1.00 73.03 C ATOM 2149 O VAL A 133 -0.323 5.714 -0.039 1.00 15.12 O ATOM 2150 CB VAL A 133 0.984 3.624 -2.119 1.00 0.20 C ATOM 2151 CG1 VAL A 133 0.350 4.170 -3.397 1.00 43.22 C ATOM 2152 CG2 VAL A 133 2.160 4.486 -1.679 1.00 12.22 C ATOM 0 H VAL A 133 -0.923 1.977 -2.146 1.00 44.43 H new ATOM 0 HA VAL A 133 0.478 3.257 -0.058 1.00 11.12 H new ATOM 0 HB VAL A 133 1.358 2.625 -2.343 1.00 0.20 H new ATOM 0 HG11 VAL A 133 1.109 4.246 -4.176 1.00 43.22 H new ATOM 0 HG12 VAL A 133 -0.442 3.498 -3.726 1.00 43.22 H new ATOM 0 HG13 VAL A 133 -0.070 5.157 -3.202 1.00 43.22 H new ATOM 0 HG21 VAL A 133 2.880 4.563 -2.494 1.00 12.22 H new ATOM 0 HG22 VAL A 133 1.803 5.481 -1.415 1.00 12.22 H new ATOM 0 HG23 VAL A 133 2.640 4.031 -0.812 1.00 12.22 H new ATOM 2162 N GLN A 134 -1.976 4.984 -1.388 1.00 61.24 N ATOM 2163 CA GLN A 134 -2.838 6.148 -1.136 1.00 52.00 C ATOM 2164 C GLN A 134 -3.474 6.060 0.262 1.00 51.51 C ATOM 2165 O GLN A 134 -3.589 7.067 0.964 1.00 3.23 O ATOM 2166 CB GLN A 134 -3.945 6.268 -2.195 1.00 75.30 C ATOM 2167 CG GLN A 134 -3.451 6.436 -3.630 1.00 61.23 C ATOM 2168 CD GLN A 134 -2.490 7.596 -3.807 1.00 64.43 C ATOM 2169 OE1 GLN A 134 -1.209 7.323 -3.701 1.00 55.14 O flip ATOM 2170 NE2 GLN A 134 -2.894 8.727 -4.053 1.00 22.10 N flip ATOM 0 H GLN A 134 -2.351 4.319 -2.064 1.00 61.24 H new ATOM 0 HA GLN A 134 -2.208 7.036 -1.191 1.00 52.00 H new ATOM 0 HB2 GLN A 134 -4.573 5.378 -2.145 1.00 75.30 H new ATOM 0 HB3 GLN A 134 -4.578 7.119 -1.943 1.00 75.30 H new ATOM 0 HG2 GLN A 134 -2.960 5.516 -3.947 1.00 61.23 H new ATOM 0 HG3 GLN A 134 -4.309 6.582 -4.286 1.00 61.23 H new ATOM 0 HE21 GLN A 134 -3.895 8.906 -4.129 1.00 22.10 H new ATOM 0 HE22 GLN A 134 -2.229 9.489 -4.182 1.00 22.10 H new ATOM 2179 N GLN A 135 -3.884 4.846 0.659 1.00 34.45 N ATOM 2180 CA GLN A 135 -4.447 4.610 2.000 1.00 64.31 C ATOM 2181 C GLN A 135 -3.491 5.120 3.089 1.00 61.24 C ATOM 2182 O GLN A 135 -3.906 5.798 4.033 1.00 31.42 O ATOM 2183 CB GLN A 135 -4.705 3.110 2.232 1.00 45.10 C ATOM 2184 CG GLN A 135 -5.720 2.461 1.296 1.00 50.54 C ATOM 2185 CD GLN A 135 -7.124 3.014 1.443 1.00 41.51 C ATOM 2186 OE1 GLN A 135 -7.510 3.512 2.497 1.00 24.41 O ATOM 2187 NE2 GLN A 135 -7.915 2.889 0.401 1.00 5.35 N ATOM 0 H GLN A 135 -3.837 4.013 0.073 1.00 34.45 H new ATOM 0 HA GLN A 135 -5.390 5.153 2.057 1.00 64.31 H new ATOM 0 HB2 GLN A 135 -3.758 2.578 2.136 1.00 45.10 H new ATOM 0 HB3 GLN A 135 -5.045 2.973 3.258 1.00 45.10 H new ATOM 0 HG2 GLN A 135 -5.391 2.598 0.266 1.00 50.54 H new ATOM 0 HG3 GLN A 135 -5.740 1.388 1.484 1.00 50.54 H new ATOM 0 HE21 GLN A 135 -7.562 2.471 -0.460 1.00 5.35 H new ATOM 0 HE22 GLN A 135 -8.882 3.210 0.453 1.00 5.35 H new ATOM 2196 N ILE A 136 -2.205 4.788 2.941 1.00 44.53 N ATOM 2197 CA ILE A 136 -1.170 5.219 3.890 1.00 44.20 C ATOM 2198 C ILE A 136 -1.187 6.743 4.064 1.00 42.13 C ATOM 2199 O ILE A 136 -1.439 7.248 5.155 1.00 53.03 O ATOM 2200 CB ILE A 136 0.247 4.788 3.429 1.00 1.41 C ATOM 2201 CG1 ILE A 136 0.284 3.280 3.142 1.00 74.54 C ATOM 2202 CG2 ILE A 136 1.292 5.161 4.482 1.00 13.34 C ATOM 2203 CD1 ILE A 136 1.603 2.792 2.579 1.00 74.03 C ATOM 0 H ILE A 136 -1.853 4.220 2.170 1.00 44.53 H new ATOM 0 HA ILE A 136 -1.396 4.736 4.840 1.00 44.20 H new ATOM 0 HB ILE A 136 0.485 5.319 2.507 1.00 1.41 H new ATOM 0 HG12 ILE A 136 0.072 2.740 4.065 1.00 74.54 H new ATOM 0 HG13 ILE A 136 -0.512 3.035 2.439 1.00 74.54 H new ATOM 0 HG21 ILE A 136 2.279 4.851 4.141 1.00 13.34 H new ATOM 0 HG22 ILE A 136 1.284 6.240 4.636 1.00 13.34 H new ATOM 0 HG23 ILE A 136 1.058 4.659 5.421 1.00 13.34 H new ATOM 0 HD11 ILE A 136 1.549 1.718 2.404 1.00 74.03 H new ATOM 0 HD12 ILE A 136 1.809 3.303 1.639 1.00 74.03 H new ATOM 0 HD13 ILE A 136 2.402 3.004 3.289 1.00 74.03 H new ATOM 2215 N LEU A 137 -0.943 7.465 2.971 1.00 63.10 N ATOM 2216 CA LEU A 137 -0.943 8.934 2.983 1.00 75.32 C ATOM 2217 C LEU A 137 -2.262 9.501 3.540 1.00 62.42 C ATOM 2218 O LEU A 137 -2.268 10.487 4.283 1.00 4.20 O ATOM 2219 CB LEU A 137 -0.705 9.466 1.563 1.00 44.45 C ATOM 2220 CG LEU A 137 -0.800 10.992 1.410 1.00 54.32 C ATOM 2221 CD1 LEU A 137 0.262 11.691 2.259 1.00 71.24 C ATOM 2222 CD2 LEU A 137 -0.680 11.396 -0.059 1.00 71.21 C ATOM 0 H LEU A 137 -0.741 7.056 2.058 1.00 63.10 H new ATOM 0 HA LEU A 137 -0.137 9.262 3.640 1.00 75.32 H new ATOM 0 HB2 LEU A 137 0.283 9.145 1.233 1.00 44.45 H new ATOM 0 HB3 LEU A 137 -1.430 9.004 0.893 1.00 44.45 H new ATOM 0 HG LEU A 137 -1.779 11.310 1.769 1.00 54.32 H new ATOM 0 HD11 LEU A 137 0.175 12.770 2.134 1.00 71.24 H new ATOM 0 HD12 LEU A 137 0.116 11.434 3.308 1.00 71.24 H new ATOM 0 HD13 LEU A 137 1.253 11.368 1.941 1.00 71.24 H new ATOM 0 HD21 LEU A 137 -0.750 12.480 -0.145 1.00 71.21 H new ATOM 0 HD22 LEU A 137 0.281 11.062 -0.451 1.00 71.21 H new ATOM 0 HD23 LEU A 137 -1.485 10.934 -0.630 1.00 71.21 H new ATOM 2234 N ARG A 138 -3.371 8.868 3.171 1.00 31.41 N ATOM 2235 CA ARG A 138 -4.707 9.266 3.632 1.00 74.02 C ATOM 2236 C ARG A 138 -4.766 9.295 5.174 1.00 2.41 C ATOM 2237 O ARG A 138 -5.343 10.206 5.772 1.00 63.21 O ATOM 2238 CB ARG A 138 -5.737 8.280 3.044 1.00 30.24 C ATOM 2239 CG ARG A 138 -7.202 8.729 3.084 1.00 52.13 C ATOM 2240 CD ARG A 138 -7.814 8.653 4.478 1.00 43.54 C ATOM 2241 NE ARG A 138 -9.270 8.798 4.439 1.00 35.31 N ATOM 2242 CZ ARG A 138 -9.964 9.554 5.243 1.00 52.45 C ATOM 2243 NH1 ARG A 138 -9.371 10.306 6.114 1.00 11.14 N ATOM 2244 NH2 ARG A 138 -11.254 9.559 5.159 1.00 31.42 N ATOM 0 H ARG A 138 -3.374 8.064 2.544 1.00 31.41 H new ATOM 0 HA ARG A 138 -4.938 10.274 3.288 1.00 74.02 H new ATOM 0 HB2 ARG A 138 -5.468 8.081 2.007 1.00 30.24 H new ATOM 0 HB3 ARG A 138 -5.653 7.336 3.582 1.00 30.24 H new ATOM 0 HG2 ARG A 138 -7.272 9.754 2.719 1.00 52.13 H new ATOM 0 HG3 ARG A 138 -7.785 8.108 2.404 1.00 52.13 H new ATOM 0 HD2 ARG A 138 -7.556 7.699 4.937 1.00 43.54 H new ATOM 0 HD3 ARG A 138 -7.387 9.435 5.106 1.00 43.54 H new ATOM 0 HE ARG A 138 -9.779 8.269 3.731 1.00 35.31 H new ATOM 0 HH11 ARG A 138 -8.353 10.310 6.175 1.00 11.14 H new ATOM 0 HH12 ARG A 138 -9.922 10.894 6.739 1.00 11.14 H new ATOM 0 HH21 ARG A 138 -11.722 8.974 4.467 1.00 31.42 H new ATOM 0 HH22 ARG A 138 -11.804 10.148 5.785 1.00 31.42 H new ATOM 2258 N GLN A 139 -4.143 8.303 5.809 1.00 63.35 N ATOM 2259 CA GLN A 139 -4.089 8.228 7.276 1.00 14.14 C ATOM 2260 C GLN A 139 -2.962 9.112 7.846 1.00 4.44 C ATOM 2261 O GLN A 139 -3.143 9.789 8.860 1.00 54.34 O ATOM 2262 CB GLN A 139 -3.895 6.772 7.723 1.00 5.12 C ATOM 2263 CG GLN A 139 -5.008 5.832 7.270 1.00 43.22 C ATOM 2264 CD GLN A 139 -6.367 6.217 7.831 1.00 13.45 C ATOM 2265 OE1 GLN A 139 -7.110 6.984 7.230 1.00 50.53 O ATOM 2266 NE2 GLN A 139 -6.701 5.697 8.995 1.00 43.30 N ATOM 0 H GLN A 139 -3.667 7.537 5.333 1.00 63.35 H new ATOM 0 HA GLN A 139 -5.036 8.602 7.665 1.00 14.14 H new ATOM 0 HB2 GLN A 139 -2.944 6.407 7.335 1.00 5.12 H new ATOM 0 HB3 GLN A 139 -3.828 6.742 8.811 1.00 5.12 H new ATOM 0 HG2 GLN A 139 -5.056 5.831 6.181 1.00 43.22 H new ATOM 0 HG3 GLN A 139 -4.767 4.815 7.579 1.00 43.22 H new ATOM 0 HE21 GLN A 139 -6.062 5.061 9.472 1.00 43.30 H new ATOM 0 HE22 GLN A 139 -7.599 5.930 9.419 1.00 43.30 H new ATOM 2275 N VAL A 140 -1.807 9.115 7.177 1.00 4.23 N ATOM 2276 CA VAL A 140 -0.643 9.907 7.613 1.00 51.15 C ATOM 2277 C VAL A 140 -0.933 11.423 7.577 1.00 43.23 C ATOM 2278 O VAL A 140 -0.228 12.220 8.194 1.00 64.14 O ATOM 2279 CB VAL A 140 0.611 9.583 6.745 1.00 31.21 C ATOM 2280 CG1 VAL A 140 1.814 10.448 7.138 1.00 3.22 C ATOM 2281 CG2 VAL A 140 0.966 8.100 6.856 1.00 73.14 C ATOM 0 H VAL A 140 -1.647 8.576 6.326 1.00 4.23 H new ATOM 0 HA VAL A 140 -0.438 9.628 8.647 1.00 51.15 H new ATOM 0 HB VAL A 140 0.362 9.814 5.709 1.00 31.21 H new ATOM 0 HG11 VAL A 140 2.667 10.192 6.510 1.00 3.22 H new ATOM 0 HG12 VAL A 140 1.566 11.500 7.001 1.00 3.22 H new ATOM 0 HG13 VAL A 140 2.066 10.268 8.183 1.00 3.22 H new ATOM 0 HG21 VAL A 140 1.843 7.889 6.245 1.00 73.14 H new ATOM 0 HG22 VAL A 140 1.181 7.854 7.896 1.00 73.14 H new ATOM 0 HG23 VAL A 140 0.127 7.498 6.507 1.00 73.14 H new ATOM 2291 N SER A 141 -1.976 11.816 6.855 1.00 64.43 N ATOM 2292 CA SER A 141 -2.415 13.217 6.827 1.00 15.51 C ATOM 2293 C SER A 141 -3.579 13.465 7.801 1.00 52.30 C ATOM 2294 O SER A 141 -3.574 14.440 8.557 1.00 55.14 O ATOM 2295 CB SER A 141 -2.837 13.612 5.405 1.00 74.13 C ATOM 2296 OG SER A 141 -3.895 12.791 4.934 1.00 23.32 O ATOM 0 H SER A 141 -2.537 11.188 6.279 1.00 64.43 H new ATOM 0 HA SER A 141 -1.572 13.833 7.142 1.00 15.51 H new ATOM 0 HB2 SER A 141 -3.151 14.656 5.393 1.00 74.13 H new ATOM 0 HB3 SER A 141 -1.983 13.529 4.733 1.00 74.13 H new ATOM 0 HG SER A 141 -3.533 11.930 4.636 1.00 23.32 H new ATOM 2302 N ALA A 142 -4.568 12.573 7.790 1.00 1.24 N ATOM 2303 CA ALA A 142 -5.794 12.750 8.587 1.00 4.43 C ATOM 2304 C ALA A 142 -5.672 12.227 10.034 1.00 22.43 C ATOM 2305 O ALA A 142 -6.638 12.299 10.798 1.00 44.44 O ATOM 2306 CB ALA A 142 -6.963 12.068 7.884 1.00 1.11 C ATOM 0 H ALA A 142 -4.550 11.716 7.238 1.00 1.24 H new ATOM 0 HA ALA A 142 -5.966 13.824 8.663 1.00 4.43 H new ATOM 0 HB1 ALA A 142 -7.870 12.200 8.475 1.00 1.11 H new ATOM 0 HB2 ALA A 142 -7.104 12.512 6.899 1.00 1.11 H new ATOM 0 HB3 ALA A 142 -6.752 11.004 7.776 1.00 1.11 H new ATOM 2312 N PHE A 143 -4.502 11.712 10.416 1.00 72.42 N ATOM 2313 CA PHE A 143 -4.298 11.184 11.779 1.00 12.23 C ATOM 2314 C PHE A 143 -4.531 12.261 12.855 1.00 30.41 C ATOM 2315 O PHE A 143 -4.995 11.967 13.957 1.00 71.53 O ATOM 2316 CB PHE A 143 -2.876 10.612 11.937 1.00 53.52 C ATOM 2317 CG PHE A 143 -1.795 11.668 12.035 1.00 54.04 C ATOM 2318 CD1 PHE A 143 -1.364 12.347 10.909 1.00 71.00 C ATOM 2319 CD2 PHE A 143 -1.219 11.981 13.259 1.00 42.44 C ATOM 2320 CE1 PHE A 143 -0.382 13.317 10.998 1.00 3.25 C ATOM 2321 CE2 PHE A 143 -0.236 12.951 13.353 1.00 21.53 C ATOM 2322 CZ PHE A 143 0.182 13.618 12.220 1.00 32.44 C ATOM 0 H PHE A 143 -3.683 11.646 9.811 1.00 72.42 H new ATOM 0 HA PHE A 143 -5.031 10.390 11.921 1.00 12.23 H new ATOM 0 HB2 PHE A 143 -2.843 9.989 12.831 1.00 53.52 H new ATOM 0 HB3 PHE A 143 -2.660 9.963 11.088 1.00 53.52 H new ATOM 0 HD1 PHE A 143 -1.800 12.117 9.948 1.00 71.00 H new ATOM 0 HD2 PHE A 143 -1.542 11.461 14.149 1.00 42.44 H new ATOM 0 HE1 PHE A 143 -0.057 13.839 10.110 1.00 3.25 H new ATOM 0 HE2 PHE A 143 0.203 13.185 14.312 1.00 21.53 H new ATOM 0 HZ PHE A 143 0.950 14.375 12.290 1.00 32.44 H new ATOM 2332 N THR A 144 -4.205 13.509 12.521 1.00 10.31 N ATOM 2333 CA THR A 144 -4.272 14.621 13.484 1.00 55.45 C ATOM 2334 C THR A 144 -5.697 15.173 13.649 1.00 54.45 C ATOM 2335 O THR A 144 -5.964 15.957 14.558 1.00 24.34 O ATOM 2336 CB THR A 144 -3.321 15.776 13.076 1.00 34.40 C ATOM 2337 OG1 THR A 144 -3.384 16.841 14.038 1.00 13.12 O ATOM 2338 CG2 THR A 144 -3.665 16.316 11.689 1.00 21.31 C ATOM 0 H THR A 144 -3.890 13.782 11.590 1.00 10.31 H new ATOM 0 HA THR A 144 -3.955 14.208 14.442 1.00 55.45 H new ATOM 0 HB THR A 144 -2.308 15.374 13.047 1.00 34.40 H new ATOM 0 HG1 THR A 144 -4.291 16.898 14.404 1.00 13.12 H new ATOM 0 HG21 THR A 144 -2.980 17.124 11.433 1.00 21.31 H new ATOM 0 HG22 THR A 144 -3.573 15.516 10.954 1.00 21.31 H new ATOM 0 HG23 THR A 144 -4.688 16.693 11.689 1.00 21.31 H new