USER MOD reduce.3.24.130724 H: found=0, std=0, add=1136, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1136 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 91 MET CE :methyl -145:sc= -0.427 (180deg=0) USER MOD Set 1.2: A 95 GLN : amide:sc= -1.72 K(o=-2.1,f=-10!) USER MOD Set 2.1: A 28 MET CE :methyl 159:sc= 0 (180deg=0) USER MOD Set 2.2: A 110 MET CE :methyl -143:sc= -2.64! (180deg=-3.84!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.443 USER MOD Single : A 17 ASN : amide:sc= -0.606 K(o=-0.61,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.109 USER MOD Single : A 31 LYS NZ :NH3+ -158:sc= 0.0284 (180deg=0.00288) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -168:sc= -0.0026 (180deg=-0.239) USER MOD Single : A 45 LYS NZ :NH3+ -122:sc= 0.366 (180deg=-0.0188) USER MOD Single : A 53 THR OG1 : rot 92:sc= 1.31 USER MOD Single : A 57 THR OG1 : rot 179:sc= -1.25 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 160:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.708 USER MOD Single : A 70 HIS : no HD1:sc= -1.77 K(o=-1.8,f=-2.5!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.456 X(o=-0.46,f=-0.33) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -3.35! C(o=-3.3!,f=-5.2!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.827 K(o=-0.83,f=-2.7!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -179:sc= 0.00243 (180deg=0.00243) USER MOD Single : A 96 GLN : amide:sc= -0.0223 X(o=-0.022,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0774 USER MOD Single : A 101 SER OG : rot 67:sc= 0.00869 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 106 TYR OH : rot -145:sc= 0.344 USER MOD Single : A 107 LYS NZ :NH3+ 139:sc= 1.01 (180deg=0.0821) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -0.855 X(o=-0.86,f=-1.1) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.0859 USER MOD Single : A 115 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.014) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -0.553 K(o=-0.55,f=-3.4!) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 MET CE :methyl -153:sc= -1.77 (180deg=-3.58!) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 180 SER OG : rot 77:sc= 0.0294 USER MOD Single : A 182 SER OG : rot 79:sc= 0.218 USER MOD ----------------------------------------------------------------- ATOM 122 N ASP A 12 5.677 12.119 -11.462 1.00 32.31 N ATOM 123 CA ASP A 12 4.682 12.690 -12.362 1.00 32.00 C ATOM 124 C ASP A 12 4.486 14.177 -12.082 1.00 73.30 C ATOM 125 O ASP A 12 4.109 14.943 -12.970 1.00 24.54 O ATOM 126 CB ASP A 12 3.350 11.951 -12.219 1.00 41.42 C ATOM 127 CG ASP A 12 2.526 11.992 -13.491 1.00 65.54 C ATOM 128 OD1 ASP A 12 2.711 11.100 -14.347 1.00 20.05 O ATOM 129 OD2 ASP A 12 1.697 12.914 -13.632 1.00 32.03 O ATOM 0 HA ASP A 12 5.044 12.576 -13.384 1.00 32.00 H new ATOM 0 HB2 ASP A 12 3.541 10.913 -11.947 1.00 41.42 H new ATOM 0 HB3 ASP A 12 2.778 12.394 -11.404 1.00 41.42 H new ATOM 134 N LYS A 13 4.742 14.579 -10.842 1.00 21.21 N ATOM 135 CA LYS A 13 4.594 15.974 -10.443 1.00 65.53 C ATOM 136 C LYS A 13 5.623 16.852 -11.148 1.00 1.54 C ATOM 137 O LYS A 13 5.338 17.997 -11.501 1.00 64.35 O ATOM 138 CB LYS A 13 4.744 16.110 -8.926 1.00 41.54 C ATOM 139 CG LYS A 13 4.917 17.545 -8.459 1.00 54.44 C ATOM 140 CD LYS A 13 4.101 17.827 -7.209 1.00 21.45 C ATOM 141 CE LYS A 13 4.902 17.547 -5.946 1.00 44.52 C ATOM 142 NZ LYS A 13 4.061 17.647 -4.722 1.00 11.24 N ATOM 0 H LYS A 13 5.053 13.958 -10.095 1.00 21.21 H new ATOM 0 HA LYS A 13 3.598 16.307 -10.734 1.00 65.53 H new ATOM 0 HB2 LYS A 13 3.866 15.683 -8.443 1.00 41.54 H new ATOM 0 HB3 LYS A 13 5.604 15.524 -8.600 1.00 41.54 H new ATOM 0 HG2 LYS A 13 5.971 17.739 -8.258 1.00 54.44 H new ATOM 0 HG3 LYS A 13 4.614 18.226 -9.254 1.00 54.44 H new ATOM 0 HD2 LYS A 13 3.776 18.868 -7.212 1.00 21.45 H new ATOM 0 HD3 LYS A 13 3.201 17.212 -7.214 1.00 21.45 H new ATOM 0 HE2 LYS A 13 5.338 16.550 -6.006 1.00 44.52 H new ATOM 0 HE3 LYS A 13 5.729 18.253 -5.877 1.00 44.52 H new ATOM 0 HZ1 LYS A 13 4.644 17.449 -3.883 1.00 11.24 H new ATOM 0 HZ2 LYS A 13 3.665 18.606 -4.650 1.00 11.24 H new ATOM 0 HZ3 LYS A 13 3.286 16.956 -4.776 1.00 11.24 H new ATOM 156 N VAL A 14 6.820 16.310 -11.349 1.00 73.23 N ATOM 157 CA VAL A 14 7.890 17.044 -12.014 1.00 32.21 C ATOM 158 C VAL A 14 7.442 17.551 -13.380 1.00 63.33 C ATOM 159 O VAL A 14 7.857 18.622 -13.823 1.00 14.53 O ATOM 160 CB VAL A 14 9.146 16.169 -12.189 1.00 54.31 C ATOM 161 CG1 VAL A 14 8.828 14.941 -13.028 1.00 21.20 C ATOM 162 CG2 VAL A 14 10.273 16.976 -12.815 1.00 70.05 C ATOM 0 H VAL A 14 7.073 15.365 -11.061 1.00 73.23 H new ATOM 0 HA VAL A 14 8.135 17.894 -11.377 1.00 32.21 H new ATOM 0 HB VAL A 14 9.474 15.832 -11.206 1.00 54.31 H new ATOM 0 HG11 VAL A 14 9.727 14.335 -13.141 1.00 21.20 H new ATOM 0 HG12 VAL A 14 8.054 14.354 -12.534 1.00 21.20 H new ATOM 0 HG13 VAL A 14 8.475 15.253 -14.011 1.00 21.20 H new ATOM 0 HG21 VAL A 14 11.153 16.343 -12.932 1.00 70.05 H new ATOM 0 HG22 VAL A 14 9.958 17.343 -13.792 1.00 70.05 H new ATOM 0 HG23 VAL A 14 10.517 17.821 -12.171 1.00 70.05 H new ATOM 172 N TYR A 15 6.594 16.774 -14.044 1.00 73.03 N ATOM 173 CA TYR A 15 6.091 17.143 -15.362 1.00 53.11 C ATOM 174 C TYR A 15 5.065 18.267 -15.258 1.00 55.33 C ATOM 175 O TYR A 15 4.820 18.990 -16.224 1.00 22.31 O ATOM 176 CB TYR A 15 5.465 15.929 -16.051 1.00 25.21 C ATOM 177 CG TYR A 15 6.312 14.679 -15.961 1.00 40.22 C ATOM 178 CD1 TYR A 15 7.691 14.738 -16.120 1.00 3.25 C ATOM 179 CD2 TYR A 15 5.733 13.440 -15.719 1.00 70.32 C ATOM 180 CE1 TYR A 15 8.469 13.599 -16.039 1.00 51.21 C ATOM 181 CE2 TYR A 15 6.503 12.296 -15.636 1.00 32.23 C ATOM 182 CZ TYR A 15 7.870 12.381 -15.797 1.00 21.54 C ATOM 183 OH TYR A 15 8.640 11.243 -15.716 1.00 3.15 O ATOM 0 H TYR A 15 6.240 15.885 -13.691 1.00 73.03 H new ATOM 0 HA TYR A 15 6.932 17.497 -15.958 1.00 53.11 H new ATOM 0 HB2 TYR A 15 4.491 15.731 -15.605 1.00 25.21 H new ATOM 0 HB3 TYR A 15 5.292 16.166 -17.101 1.00 25.21 H new ATOM 0 HD1 TYR A 15 8.163 15.691 -16.310 1.00 3.25 H new ATOM 0 HD2 TYR A 15 4.663 13.370 -15.594 1.00 70.32 H new ATOM 0 HE1 TYR A 15 9.540 13.662 -16.164 1.00 51.21 H new ATOM 0 HE2 TYR A 15 6.037 11.340 -15.446 1.00 32.23 H new ATOM 0 HH TYR A 15 8.064 10.470 -15.540 1.00 3.15 H new ATOM 193 N GLU A 16 4.468 18.408 -14.079 1.00 32.03 N ATOM 194 CA GLU A 16 3.468 19.444 -13.848 1.00 71.10 C ATOM 195 C GLU A 16 4.120 20.727 -13.341 1.00 65.15 C ATOM 196 O GLU A 16 3.922 21.801 -13.907 1.00 3.43 O ATOM 197 CB GLU A 16 2.422 18.959 -12.842 1.00 11.21 C ATOM 198 CG GLU A 16 1.480 17.907 -13.402 1.00 63.53 C ATOM 199 CD GLU A 16 0.401 18.500 -14.287 1.00 3.53 C ATOM 200 OE1 GLU A 16 0.713 18.859 -15.442 1.00 11.53 O ATOM 201 OE2 GLU A 16 -0.754 18.607 -13.825 1.00 22.45 O ATOM 0 H GLU A 16 4.659 17.818 -13.269 1.00 32.03 H new ATOM 0 HA GLU A 16 2.977 19.657 -14.798 1.00 71.10 H new ATOM 0 HB2 GLU A 16 2.932 18.550 -11.969 1.00 11.21 H new ATOM 0 HB3 GLU A 16 1.837 19.812 -12.499 1.00 11.21 H new ATOM 0 HG2 GLU A 16 2.054 17.179 -13.975 1.00 63.53 H new ATOM 0 HG3 GLU A 16 1.013 17.368 -12.578 1.00 63.53 H new ATOM 208 N ASN A 17 4.899 20.605 -12.271 1.00 44.14 N ATOM 209 CA ASN A 17 5.581 21.755 -11.687 1.00 73.42 C ATOM 210 C ASN A 17 6.393 22.500 -12.742 1.00 73.32 C ATOM 211 O ASN A 17 6.436 23.730 -12.753 1.00 44.01 O ATOM 212 CB ASN A 17 6.496 21.306 -10.546 1.00 71.42 C ATOM 213 CG ASN A 17 6.037 21.827 -9.198 1.00 24.00 C ATOM 214 OD1 ASN A 17 6.261 22.990 -8.861 1.00 30.21 O ATOM 215 ND2 ASN A 17 5.392 20.966 -8.419 1.00 43.32 N ATOM 0 H ASN A 17 5.074 19.722 -11.791 1.00 44.14 H new ATOM 0 HA ASN A 17 4.824 22.433 -11.292 1.00 73.42 H new ATOM 0 HB2 ASN A 17 6.531 20.217 -10.519 1.00 71.42 H new ATOM 0 HB3 ASN A 17 7.511 21.653 -10.740 1.00 71.42 H new ATOM 0 HD21 ASN A 17 5.060 21.259 -7.500 1.00 43.32 H new ATOM 0 HD22 ASN A 17 5.229 20.012 -8.740 1.00 43.32 H new ATOM 222 N VAL A 18 7.035 21.745 -13.629 1.00 14.52 N ATOM 223 CA VAL A 18 7.844 22.334 -14.689 1.00 71.44 C ATOM 224 C VAL A 18 7.022 23.299 -15.537 1.00 23.52 C ATOM 225 O VAL A 18 7.568 24.185 -16.195 1.00 63.42 O ATOM 226 CB VAL A 18 8.445 21.249 -15.603 1.00 43.33 C ATOM 227 CG1 VAL A 18 7.345 20.396 -16.216 1.00 11.52 C ATOM 228 CG2 VAL A 18 9.305 21.883 -16.686 1.00 64.03 C ATOM 0 H VAL A 18 7.010 20.725 -13.634 1.00 14.52 H new ATOM 0 HA VAL A 18 8.653 22.880 -14.204 1.00 71.44 H new ATOM 0 HB VAL A 18 9.080 20.600 -14.999 1.00 43.33 H new ATOM 0 HG11 VAL A 18 7.789 19.636 -16.858 1.00 11.52 H new ATOM 0 HG12 VAL A 18 6.775 19.913 -15.423 1.00 11.52 H new ATOM 0 HG13 VAL A 18 6.682 21.027 -16.807 1.00 11.52 H new ATOM 0 HG21 VAL A 18 9.722 21.103 -17.323 1.00 64.03 H new ATOM 0 HG22 VAL A 18 8.694 22.555 -17.289 1.00 64.03 H new ATOM 0 HG23 VAL A 18 10.116 22.446 -16.224 1.00 64.03 H new ATOM 238 N THR A 19 5.705 23.122 -15.516 1.00 32.41 N ATOM 239 CA THR A 19 4.807 23.976 -16.282 1.00 73.15 C ATOM 240 C THR A 19 4.235 25.091 -15.415 1.00 14.02 C ATOM 241 O THR A 19 4.253 26.260 -15.798 1.00 11.15 O ATOM 242 CB THR A 19 3.645 23.167 -16.891 1.00 45.30 C ATOM 243 OG1 THR A 19 4.129 21.914 -17.388 1.00 54.32 O ATOM 244 CG2 THR A 19 2.978 23.942 -18.017 1.00 43.23 C ATOM 0 H THR A 19 5.237 22.394 -14.976 1.00 32.41 H new ATOM 0 HA THR A 19 5.397 24.413 -17.087 1.00 73.15 H new ATOM 0 HB THR A 19 2.907 22.987 -16.109 1.00 45.30 H new ATOM 0 HG1 THR A 19 3.385 21.405 -17.772 1.00 54.32 H new ATOM 0 HG21 THR A 19 2.161 23.351 -18.431 1.00 43.23 H new ATOM 0 HG22 THR A 19 2.586 24.882 -17.629 1.00 43.23 H new ATOM 0 HG23 THR A 19 3.709 24.149 -18.799 1.00 43.23 H new ATOM 252 N GLY A 20 3.727 24.722 -14.243 1.00 32.53 N ATOM 253 CA GLY A 20 3.157 25.703 -13.339 1.00 13.23 C ATOM 254 C GLY A 20 4.085 26.877 -13.098 1.00 14.41 C ATOM 255 O GLY A 20 3.663 28.033 -13.154 1.00 11.43 O ATOM 0 H GLY A 20 3.700 23.760 -13.904 1.00 32.53 H new ATOM 0 HA2 GLY A 20 2.215 26.067 -13.749 1.00 13.23 H new ATOM 0 HA3 GLY A 20 2.926 25.225 -12.387 1.00 13.23 H new ATOM 259 N LEU A 21 5.351 26.582 -12.828 1.00 4.52 N ATOM 260 CA LEU A 21 6.342 27.623 -12.576 1.00 2.13 C ATOM 261 C LEU A 21 6.417 28.599 -13.746 1.00 13.05 C ATOM 262 O LEU A 21 6.709 29.781 -13.564 1.00 63.00 O ATOM 263 CB LEU A 21 7.716 26.998 -12.330 1.00 65.42 C ATOM 264 CG LEU A 21 8.275 26.139 -13.465 1.00 64.31 C ATOM 265 CD1 LEU A 21 9.022 27.002 -14.470 1.00 52.12 C ATOM 266 CD2 LEU A 21 9.186 25.052 -12.913 1.00 21.13 C ATOM 0 H LEU A 21 5.716 25.631 -12.778 1.00 4.52 H new ATOM 0 HA LEU A 21 6.035 28.174 -11.687 1.00 2.13 H new ATOM 0 HB2 LEU A 21 8.426 27.799 -12.124 1.00 65.42 H new ATOM 0 HB3 LEU A 21 7.658 26.384 -11.431 1.00 65.42 H new ATOM 0 HG LEU A 21 7.440 25.661 -13.977 1.00 64.31 H new ATOM 0 HD11 LEU A 21 9.413 26.373 -15.270 1.00 52.12 H new ATOM 0 HD12 LEU A 21 8.342 27.743 -14.890 1.00 52.12 H new ATOM 0 HD13 LEU A 21 9.848 27.509 -13.971 1.00 52.12 H new ATOM 0 HD21 LEU A 21 9.574 24.451 -13.735 1.00 21.13 H new ATOM 0 HD22 LEU A 21 10.016 25.511 -12.375 1.00 21.13 H new ATOM 0 HD23 LEU A 21 8.621 24.415 -12.233 1.00 21.13 H new ATOM 278 N VAL A 22 6.148 28.097 -14.947 1.00 32.24 N ATOM 279 CA VAL A 22 6.181 28.925 -16.146 1.00 70.33 C ATOM 280 C VAL A 22 5.078 29.977 -16.118 1.00 44.23 C ATOM 281 O VAL A 22 5.345 31.175 -16.217 1.00 42.01 O ATOM 282 CB VAL A 22 6.030 28.073 -17.421 1.00 20.45 C ATOM 283 CG1 VAL A 22 6.202 28.934 -18.662 1.00 64.24 C ATOM 284 CG2 VAL A 22 7.028 26.925 -17.415 1.00 24.12 C ATOM 0 H VAL A 22 5.905 27.121 -15.115 1.00 32.24 H new ATOM 0 HA VAL A 22 7.152 29.421 -16.162 1.00 70.33 H new ATOM 0 HB VAL A 22 5.025 27.651 -17.438 1.00 20.45 H new ATOM 0 HG11 VAL A 22 6.092 28.315 -19.552 1.00 64.24 H new ATOM 0 HG12 VAL A 22 5.444 29.718 -18.669 1.00 64.24 H new ATOM 0 HG13 VAL A 22 7.193 29.388 -18.656 1.00 64.24 H new ATOM 0 HG21 VAL A 22 6.908 26.333 -18.323 1.00 24.12 H new ATOM 0 HG22 VAL A 22 8.041 27.324 -17.374 1.00 24.12 H new ATOM 0 HG23 VAL A 22 6.851 26.294 -16.544 1.00 24.12 H new ATOM 294 N LYS A 23 3.837 29.522 -15.983 1.00 3.45 N ATOM 295 CA LYS A 23 2.692 30.424 -15.939 1.00 61.24 C ATOM 296 C LYS A 23 2.810 31.398 -14.772 1.00 21.04 C ATOM 297 O LYS A 23 2.241 32.489 -14.801 1.00 64.23 O ATOM 298 CB LYS A 23 1.392 29.625 -15.821 1.00 62.33 C ATOM 299 CG LYS A 23 1.263 28.863 -14.514 1.00 21.04 C ATOM 300 CD LYS A 23 -0.180 28.482 -14.231 1.00 33.25 C ATOM 301 CE LYS A 23 -0.602 28.899 -12.830 1.00 74.40 C ATOM 302 NZ LYS A 23 -0.436 27.792 -11.848 1.00 23.31 N ATOM 0 H LYS A 23 3.598 28.534 -15.902 1.00 3.45 H new ATOM 0 HA LYS A 23 2.677 30.997 -16.866 1.00 61.24 H new ATOM 0 HB2 LYS A 23 0.547 30.306 -15.920 1.00 62.33 H new ATOM 0 HB3 LYS A 23 1.332 28.920 -16.650 1.00 62.33 H new ATOM 0 HG2 LYS A 23 1.877 27.963 -14.554 1.00 21.04 H new ATOM 0 HG3 LYS A 23 1.646 29.474 -13.696 1.00 21.04 H new ATOM 0 HD2 LYS A 23 -0.833 28.955 -14.965 1.00 33.25 H new ATOM 0 HD3 LYS A 23 -0.302 27.405 -14.343 1.00 33.25 H new ATOM 0 HE2 LYS A 23 -0.010 29.758 -12.513 1.00 74.40 H new ATOM 0 HE3 LYS A 23 -1.644 29.218 -12.845 1.00 74.40 H new ATOM 0 HZ1 LYS A 23 -0.734 28.116 -10.906 1.00 23.31 H new ATOM 0 HZ2 LYS A 23 -1.020 26.982 -12.136 1.00 23.31 H new ATOM 0 HZ3 LYS A 23 0.563 27.504 -11.815 1.00 23.31 H new ATOM 316 N ALA A 24 3.553 30.997 -13.745 1.00 41.12 N ATOM 317 CA ALA A 24 3.748 31.836 -12.570 1.00 4.44 C ATOM 318 C ALA A 24 4.543 33.091 -12.916 1.00 70.25 C ATOM 319 O ALA A 24 4.160 34.202 -12.549 1.00 24.32 O ATOM 320 CB ALA A 24 4.450 31.051 -11.471 1.00 44.44 C ATOM 0 H ALA A 24 4.029 30.096 -13.704 1.00 41.12 H new ATOM 0 HA ALA A 24 2.767 32.147 -12.210 1.00 4.44 H new ATOM 0 HB1 ALA A 24 4.589 31.690 -10.599 1.00 44.44 H new ATOM 0 HB2 ALA A 24 3.843 30.189 -11.195 1.00 44.44 H new ATOM 0 HB3 ALA A 24 5.421 30.711 -11.830 1.00 44.44 H new ATOM 326 N VAL A 25 5.652 32.906 -13.626 1.00 53.11 N ATOM 327 CA VAL A 25 6.500 34.023 -14.023 1.00 4.30 C ATOM 328 C VAL A 25 5.736 35.010 -14.898 1.00 40.21 C ATOM 329 O VAL A 25 6.088 36.187 -14.977 1.00 4.52 O ATOM 330 CB VAL A 25 7.748 33.538 -14.785 1.00 33.50 C ATOM 331 CG1 VAL A 25 8.675 34.704 -15.091 1.00 12.03 C ATOM 332 CG2 VAL A 25 8.473 32.464 -13.989 1.00 24.44 C ATOM 0 H VAL A 25 5.984 31.993 -13.938 1.00 53.11 H new ATOM 0 HA VAL A 25 6.814 34.522 -13.106 1.00 4.30 H new ATOM 0 HB VAL A 25 7.428 33.103 -15.732 1.00 33.50 H new ATOM 0 HG11 VAL A 25 9.551 34.341 -15.629 1.00 12.03 H new ATOM 0 HG12 VAL A 25 8.149 35.436 -15.704 1.00 12.03 H new ATOM 0 HG13 VAL A 25 8.991 35.172 -14.159 1.00 12.03 H new ATOM 0 HG21 VAL A 25 9.352 32.133 -14.542 1.00 24.44 H new ATOM 0 HG22 VAL A 25 8.782 32.871 -13.026 1.00 24.44 H new ATOM 0 HG23 VAL A 25 7.805 31.618 -13.828 1.00 24.44 H new ATOM 342 N ILE A 26 4.688 34.523 -15.554 1.00 21.34 N ATOM 343 CA ILE A 26 3.873 35.363 -16.422 1.00 73.31 C ATOM 344 C ILE A 26 2.917 36.230 -15.609 1.00 62.41 C ATOM 345 O ILE A 26 2.900 37.452 -15.751 1.00 73.32 O ATOM 346 CB ILE A 26 3.059 34.518 -17.420 1.00 34.23 C ATOM 347 CG1 ILE A 26 3.973 33.535 -18.154 1.00 72.11 C ATOM 348 CG2 ILE A 26 2.336 35.418 -18.410 1.00 54.31 C ATOM 349 CD1 ILE A 26 5.010 34.209 -19.025 1.00 14.20 C ATOM 0 H ILE A 26 4.384 33.551 -15.501 1.00 21.34 H new ATOM 0 HA ILE A 26 4.559 36.004 -16.976 1.00 73.31 H new ATOM 0 HB ILE A 26 2.313 33.947 -16.866 1.00 34.23 H new ATOM 0 HG12 ILE A 26 4.479 32.906 -17.422 1.00 72.11 H new ATOM 0 HG13 ILE A 26 3.363 32.877 -18.773 1.00 72.11 H new ATOM 0 HG21 ILE A 26 1.765 34.806 -19.108 1.00 54.31 H new ATOM 0 HG22 ILE A 26 1.659 36.081 -17.872 1.00 54.31 H new ATOM 0 HG23 ILE A 26 3.065 36.013 -18.960 1.00 54.31 H new ATOM 0 HD11 ILE A 26 5.622 33.451 -19.514 1.00 14.20 H new ATOM 0 HD12 ILE A 26 4.511 34.816 -19.780 1.00 14.20 H new ATOM 0 HD13 ILE A 26 5.645 34.846 -18.409 1.00 14.20 H new ATOM 361 N GLU A 27 2.125 35.588 -14.756 1.00 22.03 N ATOM 362 CA GLU A 27 1.168 36.302 -13.919 1.00 74.40 C ATOM 363 C GLU A 27 1.848 37.438 -13.162 1.00 10.25 C ATOM 364 O GLU A 27 1.465 38.601 -13.291 1.00 65.31 O ATOM 365 CB GLU A 27 0.505 35.340 -12.930 1.00 53.13 C ATOM 366 CG GLU A 27 -1.001 35.231 -13.104 1.00 1.12 C ATOM 367 CD GLU A 27 -1.733 36.475 -12.640 1.00 51.30 C ATOM 368 OE1 GLU A 27 -1.217 37.588 -12.873 1.00 41.44 O ATOM 369 OE2 GLU A 27 -2.821 36.336 -12.044 1.00 14.42 O ATOM 0 H GLU A 27 2.127 34.576 -14.626 1.00 22.03 H new ATOM 0 HA GLU A 27 0.404 36.728 -14.568 1.00 74.40 H new ATOM 0 HB2 GLU A 27 0.948 34.351 -13.045 1.00 53.13 H new ATOM 0 HB3 GLU A 27 0.722 35.670 -11.914 1.00 53.13 H new ATOM 0 HG2 GLU A 27 -1.230 35.050 -14.154 1.00 1.12 H new ATOM 0 HG3 GLU A 27 -1.366 34.369 -12.545 1.00 1.12 H new ATOM 376 N MET A 28 2.858 37.093 -12.370 1.00 63.43 N ATOM 377 CA MET A 28 3.593 38.084 -11.592 1.00 73.43 C ATOM 378 C MET A 28 4.177 39.162 -12.499 1.00 3.12 C ATOM 379 O MET A 28 4.220 40.337 -12.134 1.00 30.13 O ATOM 380 CB MET A 28 4.711 37.410 -10.794 1.00 41.35 C ATOM 381 CG MET A 28 5.811 36.825 -11.665 1.00 61.11 C ATOM 382 SD MET A 28 7.046 35.923 -10.710 1.00 62.45 S ATOM 383 CE MET A 28 8.295 37.188 -10.492 1.00 23.54 C ATOM 0 H MET A 28 3.186 36.135 -12.250 1.00 63.43 H new ATOM 0 HA MET A 28 2.896 38.556 -10.899 1.00 73.43 H new ATOM 0 HB2 MET A 28 5.148 38.138 -10.111 1.00 41.35 H new ATOM 0 HB3 MET A 28 4.282 36.616 -10.182 1.00 41.35 H new ATOM 0 HG2 MET A 28 5.368 36.156 -12.403 1.00 61.11 H new ATOM 0 HG3 MET A 28 6.299 37.629 -12.216 1.00 61.11 H new ATOM 0 HE1 MET A 28 8.926 36.933 -9.641 1.00 23.54 H new ATOM 0 HE2 MET A 28 8.908 37.253 -11.391 1.00 23.54 H new ATOM 0 HE3 MET A 28 7.812 38.149 -10.311 1.00 23.54 H new ATOM 393 N SER A 29 4.627 38.755 -13.682 1.00 12.14 N ATOM 394 CA SER A 29 5.213 39.687 -14.638 1.00 72.55 C ATOM 395 C SER A 29 4.184 40.718 -15.092 1.00 4.44 C ATOM 396 O SER A 29 4.539 41.799 -15.563 1.00 20.20 O ATOM 397 CB SER A 29 5.760 38.929 -15.850 1.00 1.21 C ATOM 398 OG SER A 29 6.056 39.816 -16.915 1.00 3.14 O ATOM 0 H SER A 29 4.597 37.787 -14.001 1.00 12.14 H new ATOM 0 HA SER A 29 6.032 40.210 -14.144 1.00 72.55 H new ATOM 0 HB2 SER A 29 6.660 38.384 -15.566 1.00 1.21 H new ATOM 0 HB3 SER A 29 5.030 38.190 -16.180 1.00 1.21 H new ATOM 0 HG SER A 29 6.405 39.308 -17.677 1.00 3.14 H new ATOM 404 N SER A 30 2.908 40.377 -14.945 1.00 63.41 N ATOM 405 CA SER A 30 1.827 41.271 -15.343 1.00 20.35 C ATOM 406 C SER A 30 1.614 42.363 -14.299 1.00 33.34 C ATOM 407 O SER A 30 1.606 43.551 -14.619 1.00 11.53 O ATOM 408 CB SER A 30 0.532 40.481 -15.543 1.00 50.33 C ATOM 409 OG SER A 30 -0.508 40.992 -14.728 1.00 13.21 O ATOM 0 H SER A 30 2.597 39.488 -14.553 1.00 63.41 H new ATOM 0 HA SER A 30 2.106 41.743 -16.285 1.00 20.35 H new ATOM 0 HB2 SER A 30 0.233 40.526 -16.590 1.00 50.33 H new ATOM 0 HB3 SER A 30 0.702 39.431 -15.305 1.00 50.33 H new ATOM 0 HG SER A 30 -1.325 40.471 -14.876 1.00 13.21 H new ATOM 415 N LYS A 31 1.441 41.950 -13.047 1.00 53.44 N ATOM 416 CA LYS A 31 1.228 42.891 -11.954 1.00 2.12 C ATOM 417 C LYS A 31 2.514 43.103 -11.161 1.00 50.20 C ATOM 418 O LYS A 31 2.476 43.414 -9.970 1.00 55.32 O ATOM 419 CB LYS A 31 0.122 42.385 -11.026 1.00 31.43 C ATOM 420 CG LYS A 31 0.345 40.966 -10.532 1.00 35.42 C ATOM 421 CD LYS A 31 -0.760 40.524 -9.587 1.00 15.22 C ATOM 422 CE LYS A 31 -0.219 40.224 -8.197 1.00 41.35 C ATOM 423 NZ LYS A 31 -1.288 39.751 -7.276 1.00 14.25 N ATOM 0 H LYS A 31 1.444 40.970 -12.765 1.00 53.44 H new ATOM 0 HA LYS A 31 0.925 43.846 -12.384 1.00 2.12 H new ATOM 0 HB2 LYS A 31 0.046 43.052 -10.167 1.00 31.43 H new ATOM 0 HB3 LYS A 31 -0.832 42.432 -11.552 1.00 31.43 H new ATOM 0 HG2 LYS A 31 0.390 40.287 -11.383 1.00 35.42 H new ATOM 0 HG3 LYS A 31 1.307 40.904 -10.023 1.00 35.42 H new ATOM 0 HD2 LYS A 31 -1.519 41.304 -9.523 1.00 15.22 H new ATOM 0 HD3 LYS A 31 -1.249 39.636 -9.988 1.00 15.22 H new ATOM 0 HE2 LYS A 31 0.562 39.466 -8.267 1.00 41.35 H new ATOM 0 HE3 LYS A 31 0.244 41.121 -7.786 1.00 41.35 H new ATOM 0 HZ1 LYS A 31 -0.994 39.910 -6.291 1.00 14.25 H new ATOM 0 HZ2 LYS A 31 -2.166 40.276 -7.464 1.00 14.25 H new ATOM 0 HZ3 LYS A 31 -1.453 38.735 -7.428 1.00 14.25 H new ATOM 437 N ILE A 32 3.650 42.934 -11.829 1.00 2.31 N ATOM 438 CA ILE A 32 4.947 43.110 -11.186 1.00 53.05 C ATOM 439 C ILE A 32 5.123 44.540 -10.686 1.00 70.40 C ATOM 440 O ILE A 32 5.611 44.764 -9.579 1.00 23.32 O ATOM 441 CB ILE A 32 6.102 42.768 -12.146 1.00 55.03 C ATOM 442 CG1 ILE A 32 7.449 42.998 -11.460 1.00 24.24 C ATOM 443 CG2 ILE A 32 5.999 43.600 -13.416 1.00 21.01 C ATOM 444 CD1 ILE A 32 8.626 42.454 -12.240 1.00 14.00 C ATOM 0 H ILE A 32 3.699 42.676 -12.815 1.00 2.31 H new ATOM 0 HA ILE A 32 4.975 42.425 -10.338 1.00 53.05 H new ATOM 0 HB ILE A 32 6.029 41.715 -12.418 1.00 55.03 H new ATOM 0 HG12 ILE A 32 7.590 44.068 -11.304 1.00 24.24 H new ATOM 0 HG13 ILE A 32 7.430 42.532 -10.475 1.00 24.24 H new ATOM 0 HG21 ILE A 32 6.822 43.347 -14.084 1.00 21.01 H new ATOM 0 HG22 ILE A 32 5.051 43.391 -13.912 1.00 21.01 H new ATOM 0 HG23 ILE A 32 6.050 44.659 -13.162 1.00 21.01 H new ATOM 0 HD11 ILE A 32 9.548 42.653 -11.694 1.00 14.00 H new ATOM 0 HD12 ILE A 32 8.508 41.379 -12.374 1.00 14.00 H new ATOM 0 HD13 ILE A 32 8.671 42.938 -13.216 1.00 14.00 H new ATOM 456 N GLN A 33 4.720 45.503 -11.509 1.00 24.32 N ATOM 457 CA GLN A 33 4.833 46.911 -11.149 1.00 1.14 C ATOM 458 C GLN A 33 4.009 47.222 -9.903 1.00 44.13 C ATOM 459 O GLN A 33 4.529 47.674 -8.883 1.00 13.23 O ATOM 460 CB GLN A 33 4.376 47.795 -12.311 1.00 30.44 C ATOM 461 CG GLN A 33 3.754 49.109 -11.868 1.00 5.35 C ATOM 462 CD GLN A 33 3.625 50.106 -13.003 1.00 21.43 C ATOM 463 OE1 GLN A 33 3.405 49.728 -14.154 1.00 31.42 O ATOM 464 NE2 GLN A 33 3.761 51.387 -12.684 1.00 43.51 N ATOM 0 H GLN A 33 4.313 45.334 -12.429 1.00 24.32 H new ATOM 0 HA GLN A 33 5.880 47.122 -10.932 1.00 1.14 H new ATOM 0 HB2 GLN A 33 5.230 48.006 -12.954 1.00 30.44 H new ATOM 0 HB3 GLN A 33 3.652 47.245 -12.912 1.00 30.44 H new ATOM 0 HG2 GLN A 33 2.768 48.916 -11.446 1.00 5.35 H new ATOM 0 HG3 GLN A 33 4.361 49.544 -11.074 1.00 5.35 H new ATOM 0 HE21 GLN A 33 3.943 51.655 -11.717 1.00 43.51 H new ATOM 0 HE22 GLN A 33 3.684 52.103 -13.406 1.00 43.51 H new ATOM 473 N PRO A 34 2.694 46.975 -9.987 1.00 14.43 N ATOM 474 CA PRO A 34 1.770 47.222 -8.875 1.00 60.33 C ATOM 475 C PRO A 34 1.979 46.247 -7.721 1.00 41.40 C ATOM 476 O PRO A 34 1.397 46.407 -6.648 1.00 43.25 O ATOM 477 CB PRO A 34 0.391 47.014 -9.507 1.00 43.22 C ATOM 478 CG PRO A 34 0.635 46.098 -10.656 1.00 22.41 C ATOM 479 CD PRO A 34 2.006 46.436 -11.172 1.00 43.42 C ATOM 0 HA PRO A 34 1.910 48.212 -8.440 1.00 60.33 H new ATOM 0 HB2 PRO A 34 -0.309 46.578 -8.795 1.00 43.22 H new ATOM 0 HB3 PRO A 34 -0.039 47.959 -9.839 1.00 43.22 H new ATOM 0 HG2 PRO A 34 0.582 45.056 -10.342 1.00 22.41 H new ATOM 0 HG3 PRO A 34 -0.119 46.236 -11.431 1.00 22.41 H new ATOM 0 HD2 PRO A 34 2.515 45.556 -11.566 1.00 43.42 H new ATOM 0 HD3 PRO A 34 1.962 47.168 -11.979 1.00 43.42 H new ATOM 487 N ALA A 35 2.814 45.238 -7.948 1.00 55.33 N ATOM 488 CA ALA A 35 3.101 44.240 -6.926 1.00 70.20 C ATOM 489 C ALA A 35 3.440 44.900 -5.594 1.00 22.21 C ATOM 490 O ALA A 35 4.512 45.479 -5.416 1.00 21.45 O ATOM 491 CB ALA A 35 4.241 43.337 -7.375 1.00 54.44 C ATOM 0 H ALA A 35 3.303 45.091 -8.831 1.00 55.33 H new ATOM 0 HA ALA A 35 2.206 43.634 -6.784 1.00 70.20 H new ATOM 0 HB1 ALA A 35 4.445 42.596 -6.602 1.00 54.44 H new ATOM 0 HB2 ALA A 35 3.961 42.830 -8.299 1.00 54.44 H new ATOM 0 HB3 ALA A 35 5.135 43.937 -7.547 1.00 54.44 H new ATOM 497 N PRO A 36 2.506 44.813 -4.635 1.00 4.11 N ATOM 498 CA PRO A 36 2.684 45.397 -3.302 1.00 21.41 C ATOM 499 C PRO A 36 3.736 44.658 -2.481 1.00 72.02 C ATOM 500 O PRO A 36 4.195 43.576 -2.846 1.00 64.33 O ATOM 501 CB PRO A 36 1.302 45.245 -2.661 1.00 63.12 C ATOM 502 CG PRO A 36 0.681 44.091 -3.369 1.00 60.23 C ATOM 503 CD PRO A 36 1.205 44.138 -4.778 1.00 5.22 C ATOM 0 HA PRO A 36 3.035 46.428 -3.352 1.00 21.41 H new ATOM 0 HB2 PRO A 36 1.381 45.057 -1.590 1.00 63.12 H new ATOM 0 HB3 PRO A 36 0.707 46.150 -2.782 1.00 63.12 H new ATOM 0 HG2 PRO A 36 0.944 43.150 -2.886 1.00 60.23 H new ATOM 0 HG3 PRO A 36 -0.406 44.164 -3.355 1.00 60.23 H new ATOM 0 HD2 PRO A 36 1.315 43.139 -5.200 1.00 5.22 H new ATOM 0 HD3 PRO A 36 0.536 44.691 -5.438 1.00 5.22 H new ATOM 511 N PRO A 37 4.127 45.254 -1.345 1.00 41.02 N ATOM 512 CA PRO A 37 5.129 44.669 -0.449 1.00 14.14 C ATOM 513 C PRO A 37 4.611 43.426 0.267 1.00 54.02 C ATOM 514 O PRO A 37 5.391 42.618 0.769 1.00 0.21 O ATOM 515 CB PRO A 37 5.402 45.790 0.557 1.00 10.03 C ATOM 516 CG PRO A 37 4.160 46.613 0.554 1.00 21.12 C ATOM 517 CD PRO A 37 3.622 46.545 -0.848 1.00 74.31 C ATOM 0 HA PRO A 37 6.015 44.337 -0.990 1.00 14.14 H new ATOM 0 HB2 PRO A 37 5.609 45.389 1.549 1.00 10.03 H new ATOM 0 HB3 PRO A 37 6.270 46.382 0.265 1.00 10.03 H new ATOM 0 HG2 PRO A 37 3.434 46.227 1.270 1.00 21.12 H new ATOM 0 HG3 PRO A 37 4.373 47.643 0.841 1.00 21.12 H new ATOM 0 HD2 PRO A 37 2.533 46.583 -0.863 1.00 74.31 H new ATOM 0 HD3 PRO A 37 3.978 47.377 -1.456 1.00 74.31 H new ATOM 525 N GLU A 38 3.290 43.280 0.308 1.00 30.32 N ATOM 526 CA GLU A 38 2.669 42.134 0.963 1.00 42.20 C ATOM 527 C GLU A 38 2.569 40.949 0.006 1.00 15.45 C ATOM 528 O GLU A 38 2.495 39.798 0.435 1.00 44.25 O ATOM 529 CB GLU A 38 1.278 42.506 1.480 1.00 52.23 C ATOM 530 CG GLU A 38 1.263 43.759 2.339 1.00 54.43 C ATOM 531 CD GLU A 38 0.062 43.818 3.264 1.00 44.14 C ATOM 532 OE1 GLU A 38 -0.743 42.864 3.253 1.00 24.33 O ATOM 533 OE2 GLU A 38 -0.071 44.819 3.998 1.00 12.33 O ATOM 0 H GLU A 38 2.630 43.940 -0.104 1.00 30.32 H new ATOM 0 HA GLU A 38 3.296 41.846 1.806 1.00 42.20 H new ATOM 0 HB2 GLU A 38 0.610 42.650 0.630 1.00 52.23 H new ATOM 0 HB3 GLU A 38 0.881 41.673 2.060 1.00 52.23 H new ATOM 0 HG2 GLU A 38 2.176 43.799 2.933 1.00 54.43 H new ATOM 0 HG3 GLU A 38 1.263 44.637 1.694 1.00 54.43 H new ATOM 540 N GLU A 39 2.565 41.242 -1.290 1.00 72.03 N ATOM 541 CA GLU A 39 2.472 40.201 -2.307 1.00 54.13 C ATOM 542 C GLU A 39 3.855 39.825 -2.830 1.00 3.42 C ATOM 543 O GLU A 39 4.031 38.782 -3.460 1.00 13.22 O ATOM 544 CB GLU A 39 1.586 40.666 -3.465 1.00 41.22 C ATOM 545 CG GLU A 39 0.109 40.733 -3.114 1.00 24.35 C ATOM 546 CD GLU A 39 -0.639 39.472 -3.498 1.00 73.53 C ATOM 547 OE1 GLU A 39 -0.149 38.369 -3.175 1.00 41.32 O ATOM 548 OE2 GLU A 39 -1.715 39.586 -4.122 1.00 42.32 O ATOM 0 H GLU A 39 2.625 42.190 -1.661 1.00 72.03 H new ATOM 0 HA GLU A 39 2.025 39.320 -1.847 1.00 54.13 H new ATOM 0 HB2 GLU A 39 1.918 41.651 -3.792 1.00 41.22 H new ATOM 0 HB3 GLU A 39 1.720 39.988 -4.308 1.00 41.22 H new ATOM 0 HG2 GLU A 39 0.001 40.903 -2.043 1.00 24.35 H new ATOM 0 HG3 GLU A 39 -0.342 41.587 -3.619 1.00 24.35 H new ATOM 555 N TYR A 40 4.834 40.683 -2.564 1.00 22.01 N ATOM 556 CA TYR A 40 6.202 40.444 -3.009 1.00 72.33 C ATOM 557 C TYR A 40 6.896 39.424 -2.112 1.00 64.21 C ATOM 558 O TYR A 40 7.808 38.718 -2.544 1.00 51.12 O ATOM 559 CB TYR A 40 6.993 41.753 -3.020 1.00 63.42 C ATOM 560 CG TYR A 40 8.316 41.654 -3.746 1.00 1.41 C ATOM 561 CD1 TYR A 40 8.366 41.365 -5.104 1.00 74.11 C ATOM 562 CD2 TYR A 40 9.516 41.850 -3.074 1.00 21.23 C ATOM 563 CE1 TYR A 40 9.572 41.273 -5.771 1.00 52.44 C ATOM 564 CE2 TYR A 40 10.727 41.762 -3.733 1.00 72.21 C ATOM 565 CZ TYR A 40 10.750 41.473 -5.082 1.00 15.23 C ATOM 566 OH TYR A 40 11.954 41.383 -5.742 1.00 15.12 O ATOM 0 H TYR A 40 4.706 41.550 -2.042 1.00 22.01 H new ATOM 0 HA TYR A 40 6.163 40.043 -4.022 1.00 72.33 H new ATOM 0 HB2 TYR A 40 6.388 42.530 -3.488 1.00 63.42 H new ATOM 0 HB3 TYR A 40 7.175 42.067 -1.992 1.00 63.42 H new ATOM 0 HD1 TYR A 40 7.446 41.210 -5.648 1.00 74.11 H new ATOM 0 HD2 TYR A 40 9.502 42.075 -2.018 1.00 21.23 H new ATOM 0 HE1 TYR A 40 9.592 41.046 -6.827 1.00 52.44 H new ATOM 0 HE2 TYR A 40 11.650 41.919 -3.195 1.00 72.21 H new ATOM 0 HH TYR A 40 12.686 41.552 -5.112 1.00 15.12 H new ATOM 576 N VAL A 41 6.458 39.352 -0.859 1.00 72.34 N ATOM 577 CA VAL A 41 7.035 38.418 0.100 1.00 34.40 C ATOM 578 C VAL A 41 6.858 36.976 -0.363 1.00 23.33 C ATOM 579 O VAL A 41 7.822 36.226 -0.522 1.00 42.54 O ATOM 580 CB VAL A 41 6.398 38.580 1.493 1.00 23.53 C ATOM 581 CG1 VAL A 41 6.390 37.251 2.234 1.00 2.35 C ATOM 582 CG2 VAL A 41 7.135 39.642 2.295 1.00 50.23 C ATOM 0 H VAL A 41 5.705 39.930 -0.485 1.00 72.34 H new ATOM 0 HA VAL A 41 8.099 38.648 0.166 1.00 34.40 H new ATOM 0 HB VAL A 41 5.365 38.904 1.366 1.00 23.53 H new ATOM 0 HG11 VAL A 41 5.936 37.385 3.216 1.00 2.35 H new ATOM 0 HG12 VAL A 41 5.815 36.521 1.665 1.00 2.35 H new ATOM 0 HG13 VAL A 41 7.413 36.894 2.352 1.00 2.35 H new ATOM 0 HG21 VAL A 41 6.672 39.744 3.276 1.00 50.23 H new ATOM 0 HG22 VAL A 41 8.178 39.349 2.415 1.00 50.23 H new ATOM 0 HG23 VAL A 41 7.084 40.596 1.769 1.00 50.23 H new ATOM 592 N PRO A 42 5.597 36.575 -0.584 1.00 44.42 N ATOM 593 CA PRO A 42 5.264 35.220 -1.033 1.00 44.21 C ATOM 594 C PRO A 42 5.703 34.961 -2.470 1.00 50.54 C ATOM 595 O PRO A 42 6.023 33.831 -2.838 1.00 1.45 O ATOM 596 CB PRO A 42 3.738 35.175 -0.923 1.00 43.24 C ATOM 597 CG PRO A 42 3.308 36.596 -1.045 1.00 13.22 C ATOM 598 CD PRO A 42 4.400 37.415 -0.414 1.00 52.22 C ATOM 0 HA PRO A 42 5.770 34.458 -0.440 1.00 44.21 H new ATOM 0 HB2 PRO A 42 3.302 34.560 -1.711 1.00 43.24 H new ATOM 0 HB3 PRO A 42 3.422 34.746 0.028 1.00 43.24 H new ATOM 0 HG2 PRO A 42 3.167 36.873 -2.090 1.00 13.22 H new ATOM 0 HG3 PRO A 42 2.356 36.760 -0.540 1.00 13.22 H new ATOM 0 HD2 PRO A 42 4.514 38.381 -0.906 1.00 52.22 H new ATOM 0 HD3 PRO A 42 4.196 37.615 0.638 1.00 52.22 H new ATOM 606 N MET A 43 5.716 36.016 -3.279 1.00 75.13 N ATOM 607 CA MET A 43 6.117 35.902 -4.677 1.00 31.13 C ATOM 608 C MET A 43 7.465 35.199 -4.799 1.00 60.14 C ATOM 609 O MET A 43 7.585 34.178 -5.478 1.00 13.35 O ATOM 610 CB MET A 43 6.190 37.287 -5.323 1.00 72.52 C ATOM 611 CG MET A 43 5.316 37.427 -6.559 1.00 64.23 C ATOM 612 SD MET A 43 3.556 37.365 -6.176 1.00 55.12 S ATOM 613 CE MET A 43 3.016 38.953 -6.805 1.00 43.12 C ATOM 0 H MET A 43 5.454 36.959 -2.991 1.00 75.13 H new ATOM 0 HA MET A 43 5.368 35.306 -5.198 1.00 31.13 H new ATOM 0 HB2 MET A 43 5.892 38.037 -4.590 1.00 72.52 H new ATOM 0 HB3 MET A 43 7.224 37.499 -5.593 1.00 72.52 H new ATOM 0 HG2 MET A 43 5.543 38.371 -7.055 1.00 64.23 H new ATOM 0 HG3 MET A 43 5.559 36.631 -7.263 1.00 64.23 H new ATOM 0 HE1 MET A 43 2.004 39.157 -6.457 1.00 43.12 H new ATOM 0 HE2 MET A 43 3.687 39.734 -6.447 1.00 43.12 H new ATOM 0 HE3 MET A 43 3.028 38.936 -7.895 1.00 43.12 H new ATOM 623 N VAL A 44 8.478 35.751 -4.139 1.00 50.55 N ATOM 624 CA VAL A 44 9.817 35.177 -4.174 1.00 65.33 C ATOM 625 C VAL A 44 9.836 33.787 -3.548 1.00 34.11 C ATOM 626 O VAL A 44 10.532 32.889 -4.022 1.00 74.22 O ATOM 627 CB VAL A 44 10.832 36.073 -3.439 1.00 31.41 C ATOM 628 CG1 VAL A 44 12.214 35.437 -3.452 1.00 33.11 C ATOM 629 CG2 VAL A 44 10.868 37.459 -4.063 1.00 40.31 C ATOM 0 H VAL A 44 8.396 36.596 -3.573 1.00 50.55 H new ATOM 0 HA VAL A 44 10.102 35.104 -5.224 1.00 65.33 H new ATOM 0 HB VAL A 44 10.516 36.175 -2.401 1.00 31.41 H new ATOM 0 HG11 VAL A 44 12.917 36.084 -2.928 1.00 33.11 H new ATOM 0 HG12 VAL A 44 12.173 34.468 -2.955 1.00 33.11 H new ATOM 0 HG13 VAL A 44 12.543 35.302 -4.482 1.00 33.11 H new ATOM 0 HG21 VAL A 44 11.590 38.079 -3.531 1.00 40.31 H new ATOM 0 HG22 VAL A 44 11.160 37.379 -5.110 1.00 40.31 H new ATOM 0 HG23 VAL A 44 9.880 37.914 -3.995 1.00 40.31 H new ATOM 639 N LYS A 45 9.065 33.616 -2.479 1.00 62.30 N ATOM 640 CA LYS A 45 8.990 32.335 -1.787 1.00 30.42 C ATOM 641 C LYS A 45 8.519 31.233 -2.731 1.00 25.11 C ATOM 642 O LYS A 45 8.963 30.089 -2.634 1.00 3.30 O ATOM 643 CB LYS A 45 8.042 32.434 -0.589 1.00 64.31 C ATOM 644 CG LYS A 45 8.413 31.509 0.558 1.00 42.42 C ATOM 645 CD LYS A 45 9.373 32.180 1.526 1.00 23.21 C ATOM 646 CE LYS A 45 9.205 31.643 2.939 1.00 22.22 C ATOM 647 NZ LYS A 45 8.892 32.727 3.911 1.00 70.11 N ATOM 0 H LYS A 45 8.483 34.349 -2.073 1.00 62.30 H new ATOM 0 HA LYS A 45 9.989 32.083 -1.432 1.00 30.42 H new ATOM 0 HB2 LYS A 45 8.033 33.462 -0.227 1.00 64.31 H new ATOM 0 HB3 LYS A 45 7.029 32.203 -0.918 1.00 64.31 H new ATOM 0 HG2 LYS A 45 7.511 31.207 1.090 1.00 42.42 H new ATOM 0 HG3 LYS A 45 8.869 30.601 0.162 1.00 42.42 H new ATOM 0 HD2 LYS A 45 10.399 32.019 1.194 1.00 23.21 H new ATOM 0 HD3 LYS A 45 9.202 33.257 1.522 1.00 23.21 H new ATOM 0 HE2 LYS A 45 8.407 30.901 2.953 1.00 22.22 H new ATOM 0 HE3 LYS A 45 10.119 31.134 3.245 1.00 22.22 H new ATOM 0 HZ1 LYS A 45 9.613 32.741 4.660 1.00 70.11 H new ATOM 0 HZ2 LYS A 45 8.886 33.643 3.419 1.00 70.11 H new ATOM 0 HZ3 LYS A 45 7.957 32.555 4.334 1.00 70.11 H new ATOM 661 N GLU A 46 7.620 31.586 -3.644 1.00 10.01 N ATOM 662 CA GLU A 46 7.091 30.626 -4.605 1.00 71.14 C ATOM 663 C GLU A 46 8.179 30.170 -5.574 1.00 14.22 C ATOM 664 O GLU A 46 8.357 28.975 -5.807 1.00 31.42 O ATOM 665 CB GLU A 46 5.925 31.239 -5.383 1.00 53.31 C ATOM 666 CG GLU A 46 4.776 30.273 -5.621 1.00 24.02 C ATOM 667 CD GLU A 46 4.806 29.661 -7.008 1.00 4.20 C ATOM 668 OE1 GLU A 46 5.916 29.390 -7.512 1.00 25.40 O ATOM 669 OE2 GLU A 46 3.721 29.454 -7.589 1.00 40.35 O ATOM 0 H GLU A 46 7.243 32.529 -3.738 1.00 10.01 H new ATOM 0 HA GLU A 46 6.733 29.757 -4.052 1.00 71.14 H new ATOM 0 HB2 GLU A 46 5.552 32.106 -4.838 1.00 53.31 H new ATOM 0 HB3 GLU A 46 6.291 31.599 -6.345 1.00 53.31 H new ATOM 0 HG2 GLU A 46 4.815 29.478 -4.876 1.00 24.02 H new ATOM 0 HG3 GLU A 46 3.831 30.797 -5.479 1.00 24.02 H new ATOM 676 N VAL A 47 8.903 31.132 -6.136 1.00 43.40 N ATOM 677 CA VAL A 47 9.974 30.831 -7.079 1.00 11.31 C ATOM 678 C VAL A 47 11.094 30.046 -6.406 1.00 60.11 C ATOM 679 O VAL A 47 11.585 29.057 -6.948 1.00 31.51 O ATOM 680 CB VAL A 47 10.560 32.117 -7.692 1.00 11.10 C ATOM 681 CG1 VAL A 47 11.550 31.779 -8.796 1.00 2.21 C ATOM 682 CG2 VAL A 47 9.447 33.011 -8.218 1.00 1.21 C ATOM 0 H VAL A 47 8.768 32.127 -5.955 1.00 43.40 H new ATOM 0 HA VAL A 47 9.536 30.226 -7.873 1.00 11.31 H new ATOM 0 HB VAL A 47 11.094 32.660 -6.912 1.00 11.10 H new ATOM 0 HG11 VAL A 47 11.954 32.700 -9.217 1.00 2.21 H new ATOM 0 HG12 VAL A 47 12.363 31.181 -8.385 1.00 2.21 H new ATOM 0 HG13 VAL A 47 11.044 31.214 -9.578 1.00 2.21 H new ATOM 0 HG21 VAL A 47 9.879 33.915 -8.648 1.00 1.21 H new ATOM 0 HG22 VAL A 47 8.884 32.478 -8.984 1.00 1.21 H new ATOM 0 HG23 VAL A 47 8.780 33.281 -7.399 1.00 1.21 H new ATOM 692 N GLY A 48 11.494 30.494 -5.220 1.00 0.22 N ATOM 693 CA GLY A 48 12.554 29.821 -4.491 1.00 54.34 C ATOM 694 C GLY A 48 12.271 28.346 -4.287 1.00 54.22 C ATOM 695 O GLY A 48 13.185 27.521 -4.317 1.00 14.00 O ATOM 0 H GLY A 48 11.103 31.311 -4.751 1.00 0.22 H new ATOM 0 HA2 GLY A 48 13.493 29.936 -5.032 1.00 54.34 H new ATOM 0 HA3 GLY A 48 12.685 30.300 -3.521 1.00 54.34 H new ATOM 699 N LEU A 49 11.002 28.012 -4.077 1.00 40.54 N ATOM 700 CA LEU A 49 10.601 26.626 -3.865 1.00 53.14 C ATOM 701 C LEU A 49 10.741 25.816 -5.150 1.00 61.01 C ATOM 702 O LEU A 49 11.137 24.651 -5.121 1.00 1.20 O ATOM 703 CB LEU A 49 9.157 26.563 -3.365 1.00 14.43 C ATOM 704 CG LEU A 49 8.585 25.163 -3.138 1.00 0.52 C ATOM 705 CD1 LEU A 49 7.784 25.117 -1.846 1.00 20.11 C ATOM 706 CD2 LEU A 49 7.722 24.742 -4.318 1.00 70.01 C ATOM 0 H LEU A 49 10.234 28.682 -4.049 1.00 40.54 H new ATOM 0 HA LEU A 49 11.260 26.195 -3.111 1.00 53.14 H new ATOM 0 HB2 LEU A 49 9.094 27.116 -2.428 1.00 14.43 H new ATOM 0 HB3 LEU A 49 8.522 27.081 -4.084 1.00 14.43 H new ATOM 0 HG LEU A 49 9.415 24.462 -3.052 1.00 0.52 H new ATOM 0 HD11 LEU A 49 7.385 24.113 -1.701 1.00 20.11 H new ATOM 0 HD12 LEU A 49 8.431 25.375 -1.007 1.00 20.11 H new ATOM 0 HD13 LEU A 49 6.961 25.830 -1.902 1.00 20.11 H new ATOM 0 HD21 LEU A 49 7.323 23.743 -4.139 1.00 70.01 H new ATOM 0 HD22 LEU A 49 6.898 25.446 -4.436 1.00 70.01 H new ATOM 0 HD23 LEU A 49 8.325 24.735 -5.226 1.00 70.01 H new ATOM 718 N ALA A 50 10.416 26.442 -6.277 1.00 33.44 N ATOM 719 CA ALA A 50 10.510 25.780 -7.572 1.00 53.42 C ATOM 720 C ALA A 50 11.960 25.471 -7.927 1.00 2.50 C ATOM 721 O ALA A 50 12.263 24.412 -8.477 1.00 65.11 O ATOM 722 CB ALA A 50 9.872 26.642 -8.652 1.00 42.20 C ATOM 0 H ALA A 50 10.086 27.406 -6.319 1.00 33.44 H new ATOM 0 HA ALA A 50 9.970 24.835 -7.510 1.00 53.42 H new ATOM 0 HB1 ALA A 50 9.949 26.136 -9.614 1.00 42.20 H new ATOM 0 HB2 ALA A 50 8.822 26.808 -8.412 1.00 42.20 H new ATOM 0 HB3 ALA A 50 10.388 27.601 -8.704 1.00 42.20 H new ATOM 728 N LEU A 51 12.853 26.403 -7.610 1.00 20.42 N ATOM 729 CA LEU A 51 14.273 26.230 -7.896 1.00 21.12 C ATOM 730 C LEU A 51 14.852 25.067 -7.096 1.00 42.31 C ATOM 731 O LEU A 51 15.378 24.111 -7.665 1.00 62.32 O ATOM 732 CB LEU A 51 15.038 27.515 -7.575 1.00 50.35 C ATOM 733 CG LEU A 51 14.987 28.610 -8.642 1.00 12.34 C ATOM 734 CD1 LEU A 51 14.096 29.756 -8.187 1.00 43.34 C ATOM 735 CD2 LEU A 51 16.388 29.114 -8.957 1.00 32.42 C ATOM 0 H LEU A 51 12.619 27.285 -7.155 1.00 20.42 H new ATOM 0 HA LEU A 51 14.380 26.006 -8.957 1.00 21.12 H new ATOM 0 HB2 LEU A 51 14.647 27.924 -6.644 1.00 50.35 H new ATOM 0 HB3 LEU A 51 16.082 27.258 -7.396 1.00 50.35 H new ATOM 0 HG LEU A 51 14.563 28.185 -9.552 1.00 12.34 H new ATOM 0 HD11 LEU A 51 14.071 30.526 -8.958 1.00 43.34 H new ATOM 0 HD12 LEU A 51 13.086 29.385 -8.013 1.00 43.34 H new ATOM 0 HD13 LEU A 51 14.491 30.180 -7.264 1.00 43.34 H new ATOM 0 HD21 LEU A 51 16.332 29.892 -9.718 1.00 32.42 H new ATOM 0 HD22 LEU A 51 16.840 29.522 -8.053 1.00 32.42 H new ATOM 0 HD23 LEU A 51 16.997 28.289 -9.326 1.00 32.42 H new ATOM 747 N ARG A 52 14.750 25.156 -5.774 1.00 52.11 N ATOM 748 CA ARG A 52 15.262 24.111 -4.896 1.00 45.12 C ATOM 749 C ARG A 52 14.614 22.767 -5.215 1.00 23.02 C ATOM 750 O ARG A 52 15.298 21.752 -5.353 1.00 3.14 O ATOM 751 CB ARG A 52 15.011 24.477 -3.432 1.00 72.51 C ATOM 752 CG ARG A 52 15.317 23.348 -2.461 1.00 72.34 C ATOM 753 CD ARG A 52 14.048 22.793 -1.834 1.00 15.32 C ATOM 754 NE ARG A 52 14.257 21.470 -1.253 1.00 21.12 N ATOM 755 CZ ARG A 52 13.315 20.794 -0.605 1.00 74.11 C ATOM 756 NH1 ARG A 52 12.104 21.314 -0.457 1.00 2.31 N ATOM 757 NH2 ARG A 52 13.582 19.595 -0.105 1.00 20.55 N ATOM 0 H ARG A 52 14.317 25.941 -5.287 1.00 52.11 H new ATOM 0 HA ARG A 52 16.336 24.025 -5.062 1.00 45.12 H new ATOM 0 HB2 ARG A 52 15.620 25.343 -3.173 1.00 72.51 H new ATOM 0 HB3 ARG A 52 13.969 24.774 -3.314 1.00 72.51 H new ATOM 0 HG2 ARG A 52 15.845 22.550 -2.984 1.00 72.34 H new ATOM 0 HG3 ARG A 52 15.983 23.711 -1.678 1.00 72.34 H new ATOM 0 HD2 ARG A 52 13.697 23.477 -1.061 1.00 15.32 H new ATOM 0 HD3 ARG A 52 13.265 22.737 -2.590 1.00 15.32 H new ATOM 0 HE ARG A 52 15.177 21.041 -1.350 1.00 21.12 H new ATOM 0 HH11 ARG A 52 11.894 22.235 -0.841 1.00 2.31 H new ATOM 0 HH12 ARG A 52 11.383 20.793 0.041 1.00 2.31 H new ATOM 0 HH21 ARG A 52 14.512 19.191 -0.218 1.00 20.55 H new ATOM 0 HH22 ARG A 52 12.858 19.077 0.392 1.00 20.55 H new ATOM 771 N THR A 53 13.290 22.767 -5.330 1.00 72.11 N ATOM 772 CA THR A 53 12.549 21.548 -5.630 1.00 51.35 C ATOM 773 C THR A 53 12.944 20.986 -6.991 1.00 23.41 C ATOM 774 O THR A 53 13.056 19.771 -7.163 1.00 40.12 O ATOM 775 CB THR A 53 11.029 21.796 -5.612 1.00 53.33 C ATOM 776 OG1 THR A 53 10.620 22.238 -4.313 1.00 31.21 O ATOM 777 CG2 THR A 53 10.270 20.532 -5.986 1.00 53.00 C ATOM 0 H THR A 53 12.708 23.598 -5.220 1.00 72.11 H new ATOM 0 HA THR A 53 12.801 20.825 -4.854 1.00 51.35 H new ATOM 0 HB THR A 53 10.800 22.568 -6.346 1.00 53.33 H new ATOM 0 HG1 THR A 53 10.638 23.217 -4.280 1.00 31.21 H new ATOM 0 HG21 THR A 53 9.199 20.732 -5.966 1.00 53.00 H new ATOM 0 HG22 THR A 53 10.562 20.215 -6.987 1.00 53.00 H new ATOM 0 HG23 THR A 53 10.505 19.742 -5.273 1.00 53.00 H new ATOM 785 N LEU A 54 13.156 21.875 -7.955 1.00 32.12 N ATOM 786 CA LEU A 54 13.540 21.467 -9.302 1.00 22.45 C ATOM 787 C LEU A 54 14.743 20.529 -9.264 1.00 0.41 C ATOM 788 O LEU A 54 14.763 19.500 -9.940 1.00 32.23 O ATOM 789 CB LEU A 54 13.862 22.694 -10.155 1.00 42.25 C ATOM 790 CG LEU A 54 12.738 23.195 -11.062 1.00 75.34 C ATOM 791 CD1 LEU A 54 12.894 24.683 -11.336 1.00 23.52 C ATOM 792 CD2 LEU A 54 12.715 22.411 -12.366 1.00 71.54 C ATOM 0 H LEU A 54 13.068 22.883 -7.829 1.00 32.12 H new ATOM 0 HA LEU A 54 12.700 20.933 -9.747 1.00 22.45 H new ATOM 0 HB2 LEU A 54 14.155 23.507 -9.490 1.00 42.25 H new ATOM 0 HB3 LEU A 54 14.727 22.463 -10.776 1.00 42.25 H new ATOM 0 HG LEU A 54 11.789 23.039 -10.550 1.00 75.34 H new ATOM 0 HD11 LEU A 54 12.085 25.021 -11.983 1.00 23.52 H new ATOM 0 HD12 LEU A 54 12.859 25.232 -10.395 1.00 23.52 H new ATOM 0 HD13 LEU A 54 13.850 24.864 -11.826 1.00 23.52 H new ATOM 0 HD21 LEU A 54 11.909 22.781 -12.999 1.00 71.54 H new ATOM 0 HD22 LEU A 54 13.667 22.535 -12.882 1.00 71.54 H new ATOM 0 HD23 LEU A 54 12.553 21.355 -12.153 1.00 71.54 H new ATOM 804 N LEU A 55 15.744 20.891 -8.469 1.00 14.34 N ATOM 805 CA LEU A 55 16.950 20.082 -8.340 1.00 63.43 C ATOM 806 C LEU A 55 16.602 18.636 -7.999 1.00 44.13 C ATOM 807 O LEU A 55 17.161 17.701 -8.572 1.00 40.23 O ATOM 808 CB LEU A 55 17.868 20.665 -7.264 1.00 74.12 C ATOM 809 CG LEU A 55 19.237 21.150 -7.741 1.00 1.34 C ATOM 810 CD1 LEU A 55 19.235 22.660 -7.920 1.00 43.43 C ATOM 811 CD2 LEU A 55 20.323 20.729 -6.761 1.00 13.32 C ATOM 0 H LEU A 55 15.744 21.740 -7.904 1.00 14.34 H new ATOM 0 HA LEU A 55 17.470 20.095 -9.298 1.00 63.43 H new ATOM 0 HB2 LEU A 55 17.354 21.501 -6.790 1.00 74.12 H new ATOM 0 HB3 LEU A 55 18.021 19.907 -6.495 1.00 74.12 H new ATOM 0 HG LEU A 55 19.448 20.690 -8.706 1.00 1.34 H new ATOM 0 HD11 LEU A 55 20.218 22.987 -8.260 1.00 43.43 H new ATOM 0 HD12 LEU A 55 18.484 22.938 -8.660 1.00 43.43 H new ATOM 0 HD13 LEU A 55 19.002 23.139 -6.969 1.00 43.43 H new ATOM 0 HD21 LEU A 55 21.291 21.083 -7.116 1.00 13.32 H new ATOM 0 HD22 LEU A 55 20.116 21.160 -5.782 1.00 13.32 H new ATOM 0 HD23 LEU A 55 20.341 19.642 -6.682 1.00 13.32 H new ATOM 823 N ALA A 56 15.675 18.461 -7.064 1.00 54.01 N ATOM 824 CA ALA A 56 15.249 17.130 -6.650 1.00 30.10 C ATOM 825 C ALA A 56 14.372 16.478 -7.714 1.00 5.00 C ATOM 826 O ALA A 56 14.616 15.343 -8.125 1.00 21.24 O ATOM 827 CB ALA A 56 14.507 17.202 -5.324 1.00 30.24 C ATOM 0 H ALA A 56 15.204 19.225 -6.578 1.00 54.01 H new ATOM 0 HA ALA A 56 16.139 16.514 -6.523 1.00 30.10 H new ATOM 0 HB1 ALA A 56 14.195 16.201 -5.027 1.00 30.24 H new ATOM 0 HB2 ALA A 56 15.165 17.618 -4.561 1.00 30.24 H new ATOM 0 HB3 ALA A 56 13.629 17.839 -5.433 1.00 30.24 H new ATOM 833 N THR A 57 13.350 17.203 -8.157 1.00 72.23 N ATOM 834 CA THR A 57 12.436 16.694 -9.172 1.00 52.31 C ATOM 835 C THR A 57 13.196 16.189 -10.393 1.00 32.41 C ATOM 836 O THR A 57 13.012 15.050 -10.824 1.00 11.04 O ATOM 837 CB THR A 57 11.433 17.775 -9.617 1.00 50.54 C ATOM 838 OG1 THR A 57 12.118 18.821 -10.316 1.00 10.00 O ATOM 839 CG2 THR A 57 10.697 18.357 -8.420 1.00 34.41 C ATOM 0 H THR A 57 13.134 18.144 -7.829 1.00 72.23 H new ATOM 0 HA THR A 57 11.890 15.866 -8.719 1.00 52.31 H new ATOM 0 HB THR A 57 10.704 17.311 -10.281 1.00 50.54 H new ATOM 0 HG1 THR A 57 11.471 19.496 -10.611 1.00 10.00 H new ATOM 0 HG21 THR A 57 9.994 19.118 -8.760 1.00 34.41 H new ATOM 0 HG22 THR A 57 10.153 17.564 -7.907 1.00 34.41 H new ATOM 0 HG23 THR A 57 11.415 18.807 -7.735 1.00 34.41 H new ATOM 847 N VAL A 58 14.051 17.042 -10.947 1.00 24.20 N ATOM 848 CA VAL A 58 14.841 16.680 -12.118 1.00 3.41 C ATOM 849 C VAL A 58 15.827 15.564 -11.793 1.00 31.33 C ATOM 850 O VAL A 58 16.159 14.745 -12.650 1.00 53.24 O ATOM 851 CB VAL A 58 15.618 17.892 -12.667 1.00 21.13 C ATOM 852 CG1 VAL A 58 16.721 18.301 -11.702 1.00 54.20 C ATOM 853 CG2 VAL A 58 16.190 17.579 -14.041 1.00 50.43 C ATOM 0 H VAL A 58 14.215 17.989 -10.604 1.00 24.20 H new ATOM 0 HA VAL A 58 14.140 16.332 -12.877 1.00 3.41 H new ATOM 0 HB VAL A 58 14.927 18.729 -12.768 1.00 21.13 H new ATOM 0 HG11 VAL A 58 17.259 19.158 -12.107 1.00 54.20 H new ATOM 0 HG12 VAL A 58 16.283 18.568 -10.741 1.00 54.20 H new ATOM 0 HG13 VAL A 58 17.413 17.470 -11.567 1.00 54.20 H new ATOM 0 HG21 VAL A 58 16.736 18.446 -14.414 1.00 50.43 H new ATOM 0 HG22 VAL A 58 16.867 16.728 -13.968 1.00 50.43 H new ATOM 0 HG23 VAL A 58 15.378 17.339 -14.727 1.00 50.43 H new ATOM 863 N ASP A 59 16.291 15.536 -10.548 1.00 62.14 N ATOM 864 CA ASP A 59 17.238 14.518 -10.108 1.00 43.22 C ATOM 865 C ASP A 59 16.678 13.118 -10.339 1.00 41.23 C ATOM 866 O ASP A 59 17.419 12.187 -10.653 1.00 2.34 O ATOM 867 CB ASP A 59 17.574 14.709 -8.628 1.00 75.11 C ATOM 868 CG ASP A 59 19.001 15.173 -8.413 1.00 14.12 C ATOM 869 OD1 ASP A 59 19.479 16.008 -9.208 1.00 52.24 O ATOM 870 OD2 ASP A 59 19.640 14.701 -7.449 1.00 74.42 O ATOM 0 H ASP A 59 16.027 16.206 -9.826 1.00 62.14 H new ATOM 0 HA ASP A 59 18.149 14.626 -10.696 1.00 43.22 H new ATOM 0 HB2 ASP A 59 16.889 15.437 -8.194 1.00 75.11 H new ATOM 0 HB3 ASP A 59 17.417 13.769 -8.099 1.00 75.11 H new ATOM 875 N GLU A 60 15.366 12.978 -10.181 1.00 74.13 N ATOM 876 CA GLU A 60 14.707 11.691 -10.371 1.00 63.30 C ATOM 877 C GLU A 60 14.366 11.466 -11.841 1.00 64.53 C ATOM 878 O GLU A 60 14.139 10.334 -12.271 1.00 1.53 O ATOM 879 CB GLU A 60 13.436 11.613 -9.524 1.00 14.44 C ATOM 880 CG GLU A 60 13.628 12.086 -8.092 1.00 62.34 C ATOM 881 CD GLU A 60 13.102 11.093 -7.074 1.00 72.45 C ATOM 882 OE1 GLU A 60 11.876 11.081 -6.835 1.00 5.35 O ATOM 883 OE2 GLU A 60 13.916 10.326 -6.518 1.00 41.41 O ATOM 0 H GLU A 60 14.738 13.739 -9.922 1.00 74.13 H new ATOM 0 HA GLU A 60 15.396 10.909 -10.052 1.00 63.30 H new ATOM 0 HB2 GLU A 60 12.658 12.214 -9.995 1.00 14.44 H new ATOM 0 HB3 GLU A 60 13.080 10.583 -9.513 1.00 14.44 H new ATOM 0 HG2 GLU A 60 14.689 12.260 -7.910 1.00 62.34 H new ATOM 0 HG3 GLU A 60 13.121 13.041 -7.958 1.00 62.34 H new ATOM 890 N SER A 61 14.332 12.551 -12.608 1.00 22.13 N ATOM 891 CA SER A 61 14.015 12.474 -14.029 1.00 32.51 C ATOM 892 C SER A 61 15.182 11.884 -14.815 1.00 31.21 C ATOM 893 O SER A 61 14.998 11.326 -15.898 1.00 10.33 O ATOM 894 CB SER A 61 13.669 13.861 -14.572 1.00 54.21 C ATOM 895 OG SER A 61 13.110 13.775 -15.871 1.00 53.45 O ATOM 0 H SER A 61 14.520 13.494 -12.269 1.00 22.13 H new ATOM 0 HA SER A 61 13.152 11.819 -14.148 1.00 32.51 H new ATOM 0 HB2 SER A 61 12.964 14.352 -13.901 1.00 54.21 H new ATOM 0 HB3 SER A 61 14.567 14.479 -14.599 1.00 54.21 H new ATOM 0 HG SER A 61 12.896 14.675 -16.195 1.00 53.45 H new ATOM 901 N LEU A 62 16.383 12.011 -14.262 1.00 42.02 N ATOM 902 CA LEU A 62 17.582 11.491 -14.910 1.00 44.11 C ATOM 903 C LEU A 62 17.394 10.032 -15.314 1.00 41.42 C ATOM 904 O LEU A 62 17.466 9.674 -16.490 1.00 22.02 O ATOM 905 CB LEU A 62 18.788 11.622 -13.977 1.00 54.43 C ATOM 906 CG LEU A 62 19.795 12.716 -14.332 1.00 41.44 C ATOM 907 CD1 LEU A 62 20.172 13.517 -13.095 1.00 60.24 C ATOM 908 CD2 LEU A 62 21.034 12.112 -14.977 1.00 21.35 C ATOM 0 H LEU A 62 16.553 12.469 -13.367 1.00 42.02 H new ATOM 0 HA LEU A 62 17.761 12.078 -15.811 1.00 44.11 H new ATOM 0 HB2 LEU A 62 18.422 11.807 -12.967 1.00 54.43 H new ATOM 0 HB3 LEU A 62 19.312 10.666 -13.957 1.00 54.43 H new ATOM 0 HG LEU A 62 19.330 13.392 -15.049 1.00 41.44 H new ATOM 0 HD11 LEU A 62 20.890 14.291 -13.367 1.00 60.24 H new ATOM 0 HD12 LEU A 62 19.279 13.981 -12.676 1.00 60.24 H new ATOM 0 HD13 LEU A 62 20.618 12.854 -12.354 1.00 60.24 H new ATOM 0 HD21 LEU A 62 21.740 12.905 -15.223 1.00 21.35 H new ATOM 0 HD22 LEU A 62 21.501 11.413 -14.283 1.00 21.35 H new ATOM 0 HD23 LEU A 62 20.750 11.584 -15.887 1.00 21.35 H new ATOM 920 N PRO A 63 17.145 9.170 -14.318 1.00 32.41 N ATOM 921 CA PRO A 63 16.938 7.736 -14.545 1.00 50.32 C ATOM 922 C PRO A 63 15.621 7.446 -15.257 1.00 41.32 C ATOM 923 O PRO A 63 15.568 6.632 -16.179 1.00 44.12 O ATOM 924 CB PRO A 63 16.921 7.152 -13.131 1.00 20.44 C ATOM 925 CG PRO A 63 16.491 8.281 -12.259 1.00 62.11 C ATOM 926 CD PRO A 63 17.045 9.527 -12.893 1.00 0.01 C ATOM 0 HA PRO A 63 17.708 7.310 -15.188 1.00 50.32 H new ATOM 0 HB2 PRO A 63 16.231 6.311 -13.058 1.00 20.44 H new ATOM 0 HB3 PRO A 63 17.905 6.783 -12.844 1.00 20.44 H new ATOM 0 HG2 PRO A 63 15.404 8.328 -12.189 1.00 62.11 H new ATOM 0 HG3 PRO A 63 16.870 8.157 -11.245 1.00 62.11 H new ATOM 0 HD2 PRO A 63 16.388 10.383 -12.738 1.00 0.01 H new ATOM 0 HD3 PRO A 63 18.017 9.792 -12.476 1.00 0.01 H new ATOM 934 N VAL A 64 14.559 8.118 -14.824 1.00 50.11 N ATOM 935 CA VAL A 64 13.242 7.933 -15.422 1.00 11.55 C ATOM 936 C VAL A 64 13.302 8.073 -16.938 1.00 50.44 C ATOM 937 O VAL A 64 12.626 7.347 -17.667 1.00 75.54 O ATOM 938 CB VAL A 64 12.225 8.947 -14.863 1.00 43.13 C ATOM 939 CG1 VAL A 64 10.900 8.837 -15.602 1.00 64.03 C ATOM 940 CG2 VAL A 64 12.031 8.738 -13.369 1.00 51.21 C ATOM 0 H VAL A 64 14.585 8.795 -14.062 1.00 50.11 H new ATOM 0 HA VAL A 64 12.917 6.924 -15.166 1.00 11.55 H new ATOM 0 HB VAL A 64 12.617 9.952 -15.018 1.00 43.13 H new ATOM 0 HG11 VAL A 64 10.194 9.561 -15.194 1.00 64.03 H new ATOM 0 HG12 VAL A 64 11.056 9.041 -16.661 1.00 64.03 H new ATOM 0 HG13 VAL A 64 10.499 7.831 -15.481 1.00 64.03 H new ATOM 0 HG21 VAL A 64 11.310 9.463 -12.991 1.00 51.21 H new ATOM 0 HG22 VAL A 64 11.661 7.729 -13.188 1.00 51.21 H new ATOM 0 HG23 VAL A 64 12.983 8.873 -12.856 1.00 51.21 H new ATOM 950 N LEU A 65 14.116 9.012 -17.409 1.00 22.25 N ATOM 951 CA LEU A 65 14.266 9.248 -18.840 1.00 60.43 C ATOM 952 C LEU A 65 15.582 8.672 -19.352 1.00 63.53 C ATOM 953 O LEU A 65 16.525 8.444 -18.594 1.00 45.42 O ATOM 954 CB LEU A 65 14.201 10.746 -19.140 1.00 3.31 C ATOM 955 CG LEU A 65 12.800 11.346 -19.266 1.00 62.44 C ATOM 956 CD1 LEU A 65 12.067 10.743 -20.454 1.00 70.55 C ATOM 957 CD2 LEU A 65 12.010 11.130 -17.984 1.00 70.40 C ATOM 0 H LEU A 65 14.682 9.622 -16.820 1.00 22.25 H new ATOM 0 HA LEU A 65 13.446 8.745 -19.353 1.00 60.43 H new ATOM 0 HB2 LEU A 65 14.732 11.278 -18.350 1.00 3.31 H new ATOM 0 HB3 LEU A 65 14.740 10.934 -20.069 1.00 3.31 H new ATOM 0 HG LEU A 65 12.898 12.419 -19.432 1.00 62.44 H new ATOM 0 HD11 LEU A 65 11.072 11.182 -20.528 1.00 70.55 H new ATOM 0 HD12 LEU A 65 12.624 10.950 -21.368 1.00 70.55 H new ATOM 0 HD13 LEU A 65 11.979 9.665 -20.318 1.00 70.55 H new ATOM 0 HD21 LEU A 65 11.016 11.563 -18.092 1.00 70.40 H new ATOM 0 HD22 LEU A 65 11.921 10.062 -17.787 1.00 70.40 H new ATOM 0 HD23 LEU A 65 12.527 11.610 -17.153 1.00 70.40 H new ATOM 969 N PRO A 66 15.650 8.431 -20.670 1.00 65.11 N ATOM 970 CA PRO A 66 16.847 7.881 -21.313 1.00 44.05 C ATOM 971 C PRO A 66 18.002 8.876 -21.336 1.00 44.31 C ATOM 972 O PRO A 66 17.800 10.072 -21.547 1.00 30.31 O ATOM 973 CB PRO A 66 16.376 7.576 -22.738 1.00 2.24 C ATOM 974 CG PRO A 66 15.237 8.509 -22.968 1.00 24.34 C ATOM 975 CD PRO A 66 14.565 8.678 -21.634 1.00 35.45 C ATOM 0 HA PRO A 66 17.232 7.011 -20.781 1.00 44.05 H new ATOM 0 HB2 PRO A 66 17.174 7.739 -23.462 1.00 2.24 H new ATOM 0 HB3 PRO A 66 16.063 6.537 -22.838 1.00 2.24 H new ATOM 0 HG2 PRO A 66 15.588 9.467 -23.352 1.00 24.34 H new ATOM 0 HG3 PRO A 66 14.544 8.105 -23.706 1.00 24.34 H new ATOM 0 HD2 PRO A 66 14.146 9.678 -21.519 1.00 35.45 H new ATOM 0 HD3 PRO A 66 13.745 7.972 -21.505 1.00 35.45 H new ATOM 983 N ALA A 67 19.214 8.375 -21.118 1.00 52.01 N ATOM 984 CA ALA A 67 20.401 9.220 -21.116 1.00 43.22 C ATOM 985 C ALA A 67 20.484 10.054 -22.391 1.00 21.44 C ATOM 986 O ALA A 67 20.359 9.528 -23.497 1.00 34.14 O ATOM 987 CB ALA A 67 21.653 8.371 -20.956 1.00 65.25 C ATOM 0 H ALA A 67 19.399 7.388 -20.941 1.00 52.01 H new ATOM 0 HA ALA A 67 20.328 9.904 -20.270 1.00 43.22 H new ATOM 0 HB1 ALA A 67 22.532 9.015 -20.956 1.00 65.25 H new ATOM 0 HB2 ALA A 67 21.604 7.824 -20.014 1.00 65.25 H new ATOM 0 HB3 ALA A 67 21.721 7.664 -21.783 1.00 65.25 H new ATOM 993 N SER A 68 20.695 11.356 -22.228 1.00 64.30 N ATOM 994 CA SER A 68 20.790 12.263 -23.366 1.00 23.30 C ATOM 995 C SER A 68 20.998 13.700 -22.899 1.00 45.21 C ATOM 996 O SER A 68 21.687 14.485 -23.552 1.00 61.24 O ATOM 997 CB SER A 68 19.527 12.171 -24.225 1.00 5.23 C ATOM 998 OG SER A 68 19.298 13.382 -24.925 1.00 31.24 O ATOM 0 H SER A 68 20.803 11.806 -21.319 1.00 64.30 H new ATOM 0 HA SER A 68 21.651 11.966 -23.965 1.00 23.30 H new ATOM 0 HB2 SER A 68 19.625 11.350 -24.935 1.00 5.23 H new ATOM 0 HB3 SER A 68 18.669 11.945 -23.592 1.00 5.23 H new ATOM 0 HG SER A 68 18.705 13.212 -25.687 1.00 31.24 H new ATOM 1004 N THR A 69 20.398 14.040 -21.763 1.00 32.54 N ATOM 1005 CA THR A 69 20.515 15.382 -21.207 1.00 61.13 C ATOM 1006 C THR A 69 21.098 15.345 -19.799 1.00 42.54 C ATOM 1007 O THR A 69 20.598 16.011 -18.892 1.00 31.11 O ATOM 1008 CB THR A 69 19.150 16.094 -21.167 1.00 41.51 C ATOM 1009 OG1 THR A 69 19.303 17.417 -20.639 1.00 30.53 O ATOM 1010 CG2 THR A 69 18.158 15.315 -20.318 1.00 15.02 C ATOM 0 H THR A 69 19.825 13.403 -21.209 1.00 32.54 H new ATOM 0 HA THR A 69 21.187 15.938 -21.861 1.00 61.13 H new ATOM 0 HB THR A 69 18.765 16.152 -22.185 1.00 41.51 H new ATOM 0 HG1 THR A 69 18.431 17.864 -20.618 1.00 30.53 H new ATOM 0 HG21 THR A 69 17.201 15.837 -20.305 1.00 15.02 H new ATOM 0 HG22 THR A 69 18.022 14.319 -20.739 1.00 15.02 H new ATOM 0 HG23 THR A 69 18.539 15.229 -19.300 1.00 15.02 H new ATOM 1018 N HIS A 70 22.159 14.565 -19.623 1.00 65.43 N ATOM 1019 CA HIS A 70 22.812 14.443 -18.324 1.00 70.25 C ATOM 1020 C HIS A 70 23.670 15.669 -18.031 1.00 5.44 C ATOM 1021 O HIS A 70 23.418 16.401 -17.073 1.00 73.12 O ATOM 1022 CB HIS A 70 23.673 13.180 -18.279 1.00 42.42 C ATOM 1023 CG HIS A 70 22.896 11.935 -17.982 1.00 12.33 C ATOM 1024 ND1 HIS A 70 23.422 10.868 -17.284 1.00 53.25 N ATOM 1025 CD2 HIS A 70 21.623 11.591 -18.290 1.00 4.22 C ATOM 1026 CE1 HIS A 70 22.507 9.921 -17.178 1.00 61.11 C ATOM 1027 NE2 HIS A 70 21.406 10.335 -17.779 1.00 64.05 N ATOM 0 H HIS A 70 22.585 14.008 -20.363 1.00 65.43 H new ATOM 0 HA HIS A 70 22.038 14.372 -17.560 1.00 70.25 H new ATOM 0 HB2 HIS A 70 24.180 13.062 -19.237 1.00 42.42 H new ATOM 0 HB3 HIS A 70 24.447 13.305 -17.522 1.00 42.42 H new ATOM 0 HD2 HIS A 70 20.911 12.192 -18.836 1.00 4.22 H new ATOM 0 HE1 HIS A 70 22.637 8.970 -16.684 1.00 61.11 H new ATOM 0 HE2 HIS A 70 20.536 9.807 -17.852 1.00 64.05 H new ATOM 1035 N ARG A 71 24.686 15.887 -18.860 1.00 1.33 N ATOM 1036 CA ARG A 71 25.583 17.024 -18.687 1.00 72.23 C ATOM 1037 C ARG A 71 24.794 18.323 -18.555 1.00 1.35 C ATOM 1038 O ARG A 71 25.004 19.095 -17.619 1.00 64.32 O ATOM 1039 CB ARG A 71 26.551 17.121 -19.868 1.00 32.52 C ATOM 1040 CG ARG A 71 27.674 18.122 -19.654 1.00 51.21 C ATOM 1041 CD ARG A 71 28.024 18.850 -20.943 1.00 23.33 C ATOM 1042 NE ARG A 71 28.707 20.115 -20.688 1.00 43.24 N ATOM 1043 CZ ARG A 71 28.980 21.006 -21.635 1.00 43.11 C ATOM 1044 NH1 ARG A 71 28.630 20.771 -22.892 1.00 52.30 N ATOM 1045 NH2 ARG A 71 29.605 22.135 -21.325 1.00 51.11 N ATOM 0 H ARG A 71 24.909 15.292 -19.658 1.00 1.33 H new ATOM 0 HA ARG A 71 26.152 16.870 -17.770 1.00 72.23 H new ATOM 0 HB2 ARG A 71 26.983 16.138 -20.055 1.00 32.52 H new ATOM 0 HB3 ARG A 71 25.993 17.399 -20.762 1.00 32.52 H new ATOM 0 HG2 ARG A 71 27.378 18.846 -18.895 1.00 51.21 H new ATOM 0 HG3 ARG A 71 28.556 17.606 -19.275 1.00 51.21 H new ATOM 0 HD2 ARG A 71 28.659 18.213 -21.558 1.00 23.33 H new ATOM 0 HD3 ARG A 71 27.114 19.038 -21.512 1.00 23.33 H new ATOM 0 HE ARG A 71 28.990 20.326 -19.731 1.00 43.24 H new ATOM 0 HH11 ARG A 71 28.150 19.904 -23.134 1.00 52.30 H new ATOM 0 HH12 ARG A 71 28.841 21.457 -23.617 1.00 52.30 H new ATOM 0 HH21 ARG A 71 29.876 22.319 -20.359 1.00 51.11 H new ATOM 0 HH22 ARG A 71 29.814 22.818 -22.053 1.00 51.11 H new ATOM 1059 N GLU A 72 23.887 18.558 -19.497 1.00 72.04 N ATOM 1060 CA GLU A 72 23.068 19.765 -19.486 1.00 24.35 C ATOM 1061 C GLU A 72 22.407 19.960 -18.124 1.00 40.33 C ATOM 1062 O GLU A 72 22.698 20.923 -17.414 1.00 11.01 O ATOM 1063 CB GLU A 72 22.000 19.694 -20.578 1.00 72.35 C ATOM 1064 CG GLU A 72 22.565 19.753 -21.987 1.00 44.35 C ATOM 1065 CD GLU A 72 21.586 19.253 -23.031 1.00 55.20 C ATOM 1066 OE1 GLU A 72 21.384 18.024 -23.116 1.00 21.22 O ATOM 1067 OE2 GLU A 72 21.020 20.092 -23.763 1.00 52.30 O ATOM 0 H GLU A 72 23.700 17.929 -20.278 1.00 72.04 H new ATOM 0 HA GLU A 72 23.719 20.617 -19.681 1.00 24.35 H new ATOM 0 HB2 GLU A 72 21.434 18.770 -20.461 1.00 72.35 H new ATOM 0 HB3 GLU A 72 21.298 20.517 -20.442 1.00 72.35 H new ATOM 0 HG2 GLU A 72 22.844 20.781 -22.219 1.00 44.35 H new ATOM 0 HG3 GLU A 72 23.476 19.157 -22.034 1.00 44.35 H new ATOM 1074 N ILE A 73 21.516 19.041 -17.768 1.00 62.15 N ATOM 1075 CA ILE A 73 20.814 19.112 -16.493 1.00 70.41 C ATOM 1076 C ILE A 73 21.795 19.232 -15.332 1.00 33.04 C ATOM 1077 O ILE A 73 21.526 19.923 -14.350 1.00 2.24 O ATOM 1078 CB ILE A 73 19.923 17.875 -16.272 1.00 11.12 C ATOM 1079 CG1 ILE A 73 18.865 17.778 -17.373 1.00 14.44 C ATOM 1080 CG2 ILE A 73 19.265 17.935 -14.901 1.00 63.42 C ATOM 1081 CD1 ILE A 73 18.080 16.485 -17.345 1.00 44.20 C ATOM 0 H ILE A 73 21.263 18.239 -18.345 1.00 62.15 H new ATOM 0 HA ILE A 73 20.185 20.001 -16.527 1.00 70.41 H new ATOM 0 HB ILE A 73 20.548 16.983 -16.315 1.00 11.12 H new ATOM 0 HG12 ILE A 73 18.174 18.615 -17.276 1.00 14.44 H new ATOM 0 HG13 ILE A 73 19.352 17.877 -18.343 1.00 14.44 H new ATOM 0 HG21 ILE A 73 18.639 17.054 -14.759 1.00 63.42 H new ATOM 0 HG22 ILE A 73 20.034 17.961 -14.129 1.00 63.42 H new ATOM 0 HG23 ILE A 73 18.650 18.832 -14.831 1.00 63.42 H new ATOM 0 HD11 ILE A 73 17.349 16.486 -18.153 1.00 44.20 H new ATOM 0 HD12 ILE A 73 18.761 15.643 -17.473 1.00 44.20 H new ATOM 0 HD13 ILE A 73 17.564 16.393 -16.389 1.00 44.20 H new ATOM 1093 N GLU A 74 22.933 18.556 -15.453 1.00 32.35 N ATOM 1094 CA GLU A 74 23.954 18.588 -14.412 1.00 41.33 C ATOM 1095 C GLU A 74 24.356 20.025 -14.090 1.00 24.54 C ATOM 1096 O GLU A 74 24.327 20.443 -12.933 1.00 0.32 O ATOM 1097 CB GLU A 74 25.184 17.788 -14.848 1.00 55.53 C ATOM 1098 CG GLU A 74 25.352 16.476 -14.102 1.00 30.13 C ATOM 1099 CD GLU A 74 25.637 16.677 -12.626 1.00 31.31 C ATOM 1100 OE1 GLU A 74 26.803 16.961 -12.281 1.00 22.42 O ATOM 1101 OE2 GLU A 74 24.695 16.550 -11.816 1.00 73.35 O ATOM 0 H GLU A 74 23.171 17.980 -16.260 1.00 32.35 H new ATOM 0 HA GLU A 74 23.535 18.135 -13.513 1.00 41.33 H new ATOM 0 HB2 GLU A 74 25.113 17.582 -15.916 1.00 55.53 H new ATOM 0 HB3 GLU A 74 26.075 18.398 -14.699 1.00 55.53 H new ATOM 0 HG2 GLU A 74 24.447 15.879 -14.216 1.00 30.13 H new ATOM 0 HG3 GLU A 74 26.167 15.908 -14.552 1.00 30.13 H new ATOM 1108 N MET A 75 24.732 20.773 -15.121 1.00 43.41 N ATOM 1109 CA MET A 75 25.140 22.163 -14.948 1.00 20.22 C ATOM 1110 C MET A 75 23.941 23.043 -14.609 1.00 41.01 C ATOM 1111 O MET A 75 24.088 24.095 -13.987 1.00 35.40 O ATOM 1112 CB MET A 75 25.824 22.678 -16.216 1.00 33.02 C ATOM 1113 CG MET A 75 27.304 22.342 -16.287 1.00 65.01 C ATOM 1114 SD MET A 75 28.299 23.714 -16.903 1.00 61.24 S ATOM 1115 CE MET A 75 27.806 23.743 -18.625 1.00 70.11 C ATOM 0 H MET A 75 24.763 20.441 -16.085 1.00 43.41 H new ATOM 0 HA MET A 75 25.847 22.208 -14.119 1.00 20.22 H new ATOM 0 HB2 MET A 75 25.322 22.256 -17.087 1.00 33.02 H new ATOM 0 HB3 MET A 75 25.702 23.760 -16.271 1.00 33.02 H new ATOM 0 HG2 MET A 75 27.656 22.059 -15.295 1.00 65.01 H new ATOM 0 HG3 MET A 75 27.445 21.476 -16.934 1.00 65.01 H new ATOM 0 HE1 MET A 75 28.338 24.542 -19.142 1.00 70.11 H new ATOM 0 HE2 MET A 75 28.048 22.787 -19.089 1.00 70.11 H new ATOM 0 HE3 MET A 75 26.732 23.918 -18.693 1.00 70.11 H new ATOM 1125 N ALA A 76 22.756 22.606 -15.023 1.00 2.10 N ATOM 1126 CA ALA A 76 21.532 23.354 -14.762 1.00 25.34 C ATOM 1127 C ALA A 76 21.208 23.372 -13.272 1.00 33.32 C ATOM 1128 O ALA A 76 20.696 24.363 -12.751 1.00 61.45 O ATOM 1129 CB ALA A 76 20.374 22.761 -15.549 1.00 75.13 C ATOM 0 H ALA A 76 22.618 21.738 -15.540 1.00 2.10 H new ATOM 0 HA ALA A 76 21.687 24.383 -15.086 1.00 25.34 H new ATOM 0 HB1 ALA A 76 19.466 23.329 -15.345 1.00 75.13 H new ATOM 0 HB2 ALA A 76 20.598 22.806 -16.615 1.00 75.13 H new ATOM 0 HB3 ALA A 76 20.226 21.723 -15.252 1.00 75.13 H new ATOM 1135 N GLN A 77 21.508 22.270 -12.592 1.00 72.31 N ATOM 1136 CA GLN A 77 21.246 22.160 -11.162 1.00 33.30 C ATOM 1137 C GLN A 77 22.051 23.193 -10.380 1.00 75.31 C ATOM 1138 O GLN A 77 21.491 23.996 -9.633 1.00 21.41 O ATOM 1139 CB GLN A 77 21.583 20.752 -10.667 1.00 53.10 C ATOM 1140 CG GLN A 77 20.531 19.714 -11.023 1.00 15.15 C ATOM 1141 CD GLN A 77 20.898 18.323 -10.545 1.00 3.11 C ATOM 1142 OE1 GLN A 77 20.932 17.374 -11.329 1.00 23.14 O ATOM 1143 NE2 GLN A 77 21.176 18.195 -9.253 1.00 24.21 N ATOM 0 H GLN A 77 21.932 21.441 -13.008 1.00 72.31 H new ATOM 0 HA GLN A 77 20.186 22.351 -10.997 1.00 33.30 H new ATOM 0 HB2 GLN A 77 22.540 20.447 -11.090 1.00 53.10 H new ATOM 0 HB3 GLN A 77 21.706 20.776 -9.584 1.00 53.10 H new ATOM 0 HG2 GLN A 77 19.576 20.005 -10.584 1.00 15.15 H new ATOM 0 HG3 GLN A 77 20.393 19.698 -12.104 1.00 15.15 H new ATOM 0 HE21 GLN A 77 21.135 19.009 -8.640 1.00 24.21 H new ATOM 0 HE22 GLN A 77 21.430 17.283 -8.874 1.00 24.21 H new ATOM 1152 N LYS A 78 23.367 23.167 -10.557 1.00 22.44 N ATOM 1153 CA LYS A 78 24.250 24.101 -9.869 1.00 25.22 C ATOM 1154 C LYS A 78 23.783 25.539 -10.069 1.00 2.01 C ATOM 1155 O LYS A 78 23.754 26.330 -9.125 1.00 43.22 O ATOM 1156 CB LYS A 78 25.686 23.945 -10.376 1.00 20.44 C ATOM 1157 CG LYS A 78 26.699 23.703 -9.270 1.00 14.24 C ATOM 1158 CD LYS A 78 27.947 24.548 -9.462 1.00 52.10 C ATOM 1159 CE LYS A 78 29.050 23.763 -10.155 1.00 30.13 C ATOM 1160 NZ LYS A 78 29.082 24.026 -11.620 1.00 41.31 N ATOM 0 H LYS A 78 23.846 22.509 -11.172 1.00 22.44 H new ATOM 0 HA LYS A 78 24.220 23.873 -8.804 1.00 25.22 H new ATOM 0 HB2 LYS A 78 25.725 23.115 -11.081 1.00 20.44 H new ATOM 0 HB3 LYS A 78 25.968 24.843 -10.925 1.00 20.44 H new ATOM 0 HG2 LYS A 78 26.247 23.933 -8.305 1.00 14.24 H new ATOM 0 HG3 LYS A 78 26.972 22.648 -9.250 1.00 14.24 H new ATOM 0 HD2 LYS A 78 27.702 25.432 -10.051 1.00 52.10 H new ATOM 0 HD3 LYS A 78 28.302 24.899 -8.493 1.00 52.10 H new ATOM 0 HE2 LYS A 78 30.013 24.027 -9.718 1.00 30.13 H new ATOM 0 HE3 LYS A 78 28.902 22.697 -9.981 1.00 30.13 H new ATOM 0 HZ1 LYS A 78 29.847 23.472 -12.055 1.00 41.31 H new ATOM 0 HZ2 LYS A 78 28.172 23.751 -12.042 1.00 41.31 H new ATOM 0 HZ3 LYS A 78 29.249 25.039 -11.787 1.00 41.31 H new ATOM 1174 N LEU A 79 23.417 25.871 -11.302 1.00 12.01 N ATOM 1175 CA LEU A 79 22.949 27.214 -11.625 1.00 51.34 C ATOM 1176 C LEU A 79 21.756 27.599 -10.757 1.00 14.23 C ATOM 1177 O LEU A 79 21.680 28.718 -10.247 1.00 42.10 O ATOM 1178 CB LEU A 79 22.566 27.300 -13.104 1.00 45.10 C ATOM 1179 CG LEU A 79 22.957 28.591 -13.825 1.00 23.05 C ATOM 1180 CD1 LEU A 79 24.098 28.335 -14.797 1.00 3.11 C ATOM 1181 CD2 LEU A 79 21.757 29.181 -14.551 1.00 21.40 C ATOM 0 H LEU A 79 23.435 25.229 -12.094 1.00 12.01 H new ATOM 0 HA LEU A 79 23.761 27.913 -11.424 1.00 51.34 H new ATOM 0 HB2 LEU A 79 23.026 26.462 -13.627 1.00 45.10 H new ATOM 0 HB3 LEU A 79 21.487 27.174 -13.187 1.00 45.10 H new ATOM 0 HG LEU A 79 23.296 29.312 -13.081 1.00 23.05 H new ATOM 0 HD11 LEU A 79 24.362 29.265 -15.301 1.00 3.11 H new ATOM 0 HD12 LEU A 79 24.963 27.959 -14.251 1.00 3.11 H new ATOM 0 HD13 LEU A 79 23.787 27.597 -15.537 1.00 3.11 H new ATOM 0 HD21 LEU A 79 22.054 30.099 -15.058 1.00 21.40 H new ATOM 0 HD22 LEU A 79 21.387 28.465 -15.284 1.00 21.40 H new ATOM 0 HD23 LEU A 79 20.969 29.403 -13.831 1.00 21.40 H new ATOM 1193 N LEU A 80 20.826 26.665 -10.590 1.00 61.00 N ATOM 1194 CA LEU A 80 19.637 26.905 -9.780 1.00 55.14 C ATOM 1195 C LEU A 80 20.017 27.359 -8.375 1.00 0.51 C ATOM 1196 O LEU A 80 19.407 28.273 -7.821 1.00 62.00 O ATOM 1197 CB LEU A 80 18.782 25.638 -9.705 1.00 44.35 C ATOM 1198 CG LEU A 80 17.488 25.653 -10.519 1.00 34.33 C ATOM 1199 CD1 LEU A 80 17.791 25.781 -12.003 1.00 62.44 C ATOM 1200 CD2 LEU A 80 16.672 24.397 -10.245 1.00 41.44 C ATOM 0 H LEU A 80 20.873 25.734 -11.005 1.00 61.00 H new ATOM 0 HA LEU A 80 19.059 27.698 -10.254 1.00 55.14 H new ATOM 0 HB2 LEU A 80 19.387 24.795 -10.038 1.00 44.35 H new ATOM 0 HB3 LEU A 80 18.529 25.456 -8.661 1.00 44.35 H new ATOM 0 HG LEU A 80 16.900 26.519 -10.215 1.00 34.33 H new ATOM 0 HD11 LEU A 80 16.857 25.790 -12.566 1.00 62.44 H new ATOM 0 HD12 LEU A 80 18.333 26.709 -12.185 1.00 62.44 H new ATOM 0 HD13 LEU A 80 18.400 24.936 -12.324 1.00 62.44 H new ATOM 0 HD21 LEU A 80 15.754 24.424 -10.832 1.00 41.44 H new ATOM 0 HD22 LEU A 80 17.254 23.518 -10.521 1.00 41.44 H new ATOM 0 HD23 LEU A 80 16.423 24.349 -9.185 1.00 41.44 H new ATOM 1212 N ASN A 81 21.031 26.716 -7.805 1.00 12.22 N ATOM 1213 CA ASN A 81 21.494 27.055 -6.464 1.00 42.52 C ATOM 1214 C ASN A 81 21.890 28.526 -6.382 1.00 4.54 C ATOM 1215 O ASN A 81 21.300 29.298 -5.625 1.00 72.53 O ATOM 1216 CB ASN A 81 22.682 26.173 -6.074 1.00 53.20 C ATOM 1217 CG ASN A 81 22.286 24.722 -5.884 1.00 33.32 C ATOM 1218 OD1 ASN A 81 21.944 24.300 -4.779 1.00 23.51 O ATOM 1219 ND2 ASN A 81 22.330 23.950 -6.964 1.00 1.13 N ATOM 0 H ASN A 81 21.548 25.958 -8.251 1.00 12.22 H new ATOM 0 HA ASN A 81 20.675 26.878 -5.767 1.00 42.52 H new ATOM 0 HB2 ASN A 81 23.449 26.239 -6.845 1.00 53.20 H new ATOM 0 HB3 ASN A 81 23.124 26.550 -5.152 1.00 53.20 H new ATOM 0 HD21 ASN A 81 22.074 22.965 -6.897 1.00 1.13 H new ATOM 0 HD22 ASN A 81 22.620 24.342 -7.860 1.00 1.13 H new ATOM 1226 N SER A 82 22.894 28.908 -7.165 1.00 53.43 N ATOM 1227 CA SER A 82 23.371 30.286 -7.179 1.00 4.01 C ATOM 1228 C SER A 82 22.217 31.259 -7.397 1.00 51.21 C ATOM 1229 O SER A 82 22.036 32.207 -6.632 1.00 62.22 O ATOM 1230 CB SER A 82 24.424 30.472 -8.273 1.00 42.33 C ATOM 1231 OG SER A 82 25.032 31.749 -8.184 1.00 53.54 O ATOM 0 H SER A 82 23.393 28.283 -7.798 1.00 53.43 H new ATOM 0 HA SER A 82 23.823 30.498 -6.210 1.00 4.01 H new ATOM 0 HB2 SER A 82 25.185 29.697 -8.185 1.00 42.33 H new ATOM 0 HB3 SER A 82 23.960 30.354 -9.252 1.00 42.33 H new ATOM 0 HG SER A 82 25.702 31.842 -8.893 1.00 53.54 H new ATOM 1237 N ASP A 83 21.438 31.018 -8.446 1.00 65.21 N ATOM 1238 CA ASP A 83 20.300 31.871 -8.766 1.00 41.30 C ATOM 1239 C ASP A 83 19.339 31.960 -7.585 1.00 11.52 C ATOM 1240 O ASP A 83 18.765 33.017 -7.316 1.00 72.41 O ATOM 1241 CB ASP A 83 19.566 31.339 -9.998 1.00 22.53 C ATOM 1242 CG ASP A 83 18.516 32.305 -10.509 1.00 31.02 C ATOM 1243 OD1 ASP A 83 17.438 32.394 -9.884 1.00 43.24 O ATOM 1244 OD2 ASP A 83 18.771 32.972 -11.534 1.00 22.51 O ATOM 0 H ASP A 83 21.574 30.238 -9.089 1.00 65.21 H new ATOM 0 HA ASP A 83 20.677 32.871 -8.981 1.00 41.30 H new ATOM 0 HB2 ASP A 83 20.288 31.140 -10.790 1.00 22.53 H new ATOM 0 HB3 ASP A 83 19.092 30.389 -9.753 1.00 22.53 H new ATOM 1249 N LEU A 84 19.167 30.846 -6.883 1.00 61.32 N ATOM 1250 CA LEU A 84 18.274 30.797 -5.731 1.00 2.05 C ATOM 1251 C LEU A 84 18.578 31.932 -4.758 1.00 1.10 C ATOM 1252 O LEU A 84 17.724 32.776 -4.487 1.00 22.32 O ATOM 1253 CB LEU A 84 18.404 29.450 -5.017 1.00 14.22 C ATOM 1254 CG LEU A 84 17.276 29.093 -4.047 1.00 44.42 C ATOM 1255 CD1 LEU A 84 15.932 29.121 -4.758 1.00 62.41 C ATOM 1256 CD2 LEU A 84 17.523 27.728 -3.421 1.00 43.54 C ATOM 0 H LEU A 84 19.635 29.964 -7.091 1.00 61.32 H new ATOM 0 HA LEU A 84 17.251 30.914 -6.090 1.00 2.05 H new ATOM 0 HB2 LEU A 84 18.469 28.666 -5.772 1.00 14.22 H new ATOM 0 HB3 LEU A 84 19.345 29.442 -4.467 1.00 14.22 H new ATOM 0 HG LEU A 84 17.258 29.837 -3.251 1.00 44.42 H new ATOM 0 HD11 LEU A 84 15.142 28.865 -4.052 1.00 62.41 H new ATOM 0 HD12 LEU A 84 15.752 30.119 -5.157 1.00 62.41 H new ATOM 0 HD13 LEU A 84 15.937 28.399 -5.575 1.00 62.41 H new ATOM 0 HD21 LEU A 84 16.711 27.490 -2.734 1.00 43.54 H new ATOM 0 HD22 LEU A 84 17.569 26.971 -4.204 1.00 43.54 H new ATOM 0 HD23 LEU A 84 18.467 27.743 -2.876 1.00 43.54 H new ATOM 1268 N ALA A 85 19.801 31.947 -4.238 1.00 0.31 N ATOM 1269 CA ALA A 85 20.219 32.981 -3.299 1.00 41.02 C ATOM 1270 C ALA A 85 20.079 34.370 -3.914 1.00 22.34 C ATOM 1271 O ALA A 85 19.736 35.330 -3.226 1.00 0.44 O ATOM 1272 CB ALA A 85 21.654 32.741 -2.854 1.00 62.23 C ATOM 0 H ALA A 85 20.519 31.255 -4.451 1.00 0.31 H new ATOM 0 HA ALA A 85 19.567 32.931 -2.427 1.00 41.02 H new ATOM 0 HB1 ALA A 85 21.953 33.521 -2.153 1.00 62.23 H new ATOM 0 HB2 ALA A 85 21.726 31.768 -2.367 1.00 62.23 H new ATOM 0 HB3 ALA A 85 22.313 32.762 -3.722 1.00 62.23 H new ATOM 1278 N GLU A 86 20.348 34.467 -5.212 1.00 10.21 N ATOM 1279 CA GLU A 86 20.253 35.740 -5.917 1.00 61.14 C ATOM 1280 C GLU A 86 18.830 36.289 -5.860 1.00 64.11 C ATOM 1281 O GLU A 86 18.617 37.462 -5.551 1.00 45.23 O ATOM 1282 CB GLU A 86 20.689 35.574 -7.375 1.00 2.34 C ATOM 1283 CG GLU A 86 22.096 36.079 -7.650 1.00 71.50 C ATOM 1284 CD GLU A 86 22.577 35.733 -9.046 1.00 54.11 C ATOM 1285 OE1 GLU A 86 21.724 35.447 -9.913 1.00 32.15 O ATOM 1286 OE2 GLU A 86 23.804 35.748 -9.272 1.00 44.51 O ATOM 0 H GLU A 86 20.633 33.681 -5.796 1.00 10.21 H new ATOM 0 HA GLU A 86 20.918 36.450 -5.424 1.00 61.14 H new ATOM 0 HB2 GLU A 86 20.631 34.520 -7.645 1.00 2.34 H new ATOM 0 HB3 GLU A 86 19.988 36.107 -8.018 1.00 2.34 H new ATOM 0 HG2 GLU A 86 22.122 37.161 -7.518 1.00 71.50 H new ATOM 0 HG3 GLU A 86 22.781 35.652 -6.917 1.00 71.50 H new ATOM 1293 N LEU A 87 17.860 35.433 -6.160 1.00 71.11 N ATOM 1294 CA LEU A 87 16.457 35.831 -6.144 1.00 15.03 C ATOM 1295 C LEU A 87 16.009 36.191 -4.731 1.00 3.43 C ATOM 1296 O LEU A 87 15.574 37.315 -4.474 1.00 64.44 O ATOM 1297 CB LEU A 87 15.580 34.706 -6.697 1.00 23.32 C ATOM 1298 CG LEU A 87 15.845 34.300 -8.147 1.00 52.43 C ATOM 1299 CD1 LEU A 87 14.827 33.268 -8.607 1.00 25.41 C ATOM 1300 CD2 LEU A 87 15.816 35.521 -9.056 1.00 23.22 C ATOM 0 H LEU A 87 18.019 34.459 -6.417 1.00 71.11 H new ATOM 0 HA LEU A 87 16.349 36.712 -6.776 1.00 15.03 H new ATOM 0 HB2 LEU A 87 15.710 33.827 -6.065 1.00 23.32 H new ATOM 0 HB3 LEU A 87 14.537 35.010 -6.611 1.00 23.32 H new ATOM 0 HG LEU A 87 16.837 33.852 -8.203 1.00 52.43 H new ATOM 0 HD11 LEU A 87 15.031 32.991 -9.641 1.00 25.41 H new ATOM 0 HD12 LEU A 87 14.895 32.383 -7.974 1.00 25.41 H new ATOM 0 HD13 LEU A 87 13.824 33.689 -8.536 1.00 25.41 H new ATOM 0 HD21 LEU A 87 16.007 35.214 -10.084 1.00 23.22 H new ATOM 0 HD22 LEU A 87 14.837 35.997 -8.995 1.00 23.22 H new ATOM 0 HD23 LEU A 87 16.583 36.228 -8.740 1.00 23.22 H new ATOM 1312 N ILE A 88 16.121 35.233 -3.818 1.00 20.43 N ATOM 1313 CA ILE A 88 15.731 35.450 -2.430 1.00 43.42 C ATOM 1314 C ILE A 88 16.405 36.694 -1.859 1.00 35.43 C ATOM 1315 O ILE A 88 15.814 37.420 -1.060 1.00 63.13 O ATOM 1316 CB ILE A 88 16.085 34.238 -1.549 1.00 20.10 C ATOM 1317 CG1 ILE A 88 15.471 32.962 -2.129 1.00 14.14 C ATOM 1318 CG2 ILE A 88 15.606 34.462 -0.122 1.00 42.14 C ATOM 1319 CD1 ILE A 88 13.966 33.028 -2.273 1.00 63.43 C ATOM 0 H ILE A 88 16.479 34.298 -4.014 1.00 20.43 H new ATOM 0 HA ILE A 88 14.650 35.589 -2.424 1.00 43.42 H new ATOM 0 HB ILE A 88 17.169 34.123 -1.533 1.00 20.10 H new ATOM 0 HG12 ILE A 88 15.913 32.767 -3.106 1.00 14.14 H new ATOM 0 HG13 ILE A 88 15.730 32.120 -1.488 1.00 14.14 H new ATOM 0 HG21 ILE A 88 15.864 33.596 0.488 1.00 42.14 H new ATOM 0 HG22 ILE A 88 16.086 35.351 0.288 1.00 42.14 H new ATOM 0 HG23 ILE A 88 14.525 34.599 -0.119 1.00 42.14 H new ATOM 0 HD11 ILE A 88 13.599 32.090 -2.690 1.00 63.43 H new ATOM 0 HD12 ILE A 88 13.514 33.192 -1.295 1.00 63.43 H new ATOM 0 HD13 ILE A 88 13.700 33.849 -2.938 1.00 63.43 H new ATOM 1331 N ASN A 89 17.644 36.933 -2.275 1.00 72.01 N ATOM 1332 CA ASN A 89 18.398 38.090 -1.806 1.00 32.23 C ATOM 1333 C ASN A 89 17.648 39.385 -2.102 1.00 35.23 C ATOM 1334 O ASN A 89 17.390 40.186 -1.203 1.00 30.21 O ATOM 1335 CB ASN A 89 19.779 38.126 -2.463 1.00 72.43 C ATOM 1336 CG ASN A 89 20.832 37.416 -1.635 1.00 23.12 C ATOM 1337 OD1 ASN A 89 20.528 36.823 -0.599 1.00 43.43 O ATOM 1338 ND2 ASN A 89 22.079 37.473 -2.088 1.00 41.43 N ATOM 0 H ASN A 89 18.147 36.341 -2.936 1.00 72.01 H new ATOM 0 HA ASN A 89 18.519 38.000 -0.727 1.00 32.23 H new ATOM 0 HB2 ASN A 89 19.722 37.663 -3.448 1.00 72.43 H new ATOM 0 HB3 ASN A 89 20.079 39.163 -2.615 1.00 72.43 H new ATOM 0 HD21 ASN A 89 22.830 37.014 -1.573 1.00 41.43 H new ATOM 0 HD22 ASN A 89 22.286 37.976 -2.951 1.00 41.43 H new ATOM 1345 N LYS A 90 17.299 39.584 -3.368 1.00 74.43 N ATOM 1346 CA LYS A 90 16.576 40.780 -3.785 1.00 30.43 C ATOM 1347 C LYS A 90 15.326 40.984 -2.934 1.00 5.20 C ATOM 1348 O LYS A 90 14.961 42.115 -2.613 1.00 61.34 O ATOM 1349 CB LYS A 90 16.189 40.678 -5.262 1.00 2.51 C ATOM 1350 CG LYS A 90 17.347 40.302 -6.169 1.00 64.24 C ATOM 1351 CD LYS A 90 17.328 41.104 -7.460 1.00 62.40 C ATOM 1352 CE LYS A 90 18.596 40.884 -8.272 1.00 13.15 C ATOM 1353 NZ LYS A 90 18.621 39.538 -8.908 1.00 54.22 N ATOM 0 H LYS A 90 17.505 38.932 -4.124 1.00 74.43 H new ATOM 0 HA LYS A 90 17.233 41.639 -3.646 1.00 30.43 H new ATOM 0 HB2 LYS A 90 15.397 39.937 -5.371 1.00 2.51 H new ATOM 0 HB3 LYS A 90 15.778 41.633 -5.588 1.00 2.51 H new ATOM 0 HG2 LYS A 90 18.289 40.473 -5.648 1.00 64.24 H new ATOM 0 HG3 LYS A 90 17.299 39.238 -6.400 1.00 64.24 H new ATOM 0 HD2 LYS A 90 16.460 40.818 -8.054 1.00 62.40 H new ATOM 0 HD3 LYS A 90 17.222 42.164 -7.230 1.00 62.40 H new ATOM 0 HE2 LYS A 90 18.671 41.651 -9.043 1.00 13.15 H new ATOM 0 HE3 LYS A 90 19.466 40.996 -7.625 1.00 13.15 H new ATOM 0 HZ1 LYS A 90 19.501 39.427 -9.452 1.00 54.22 H new ATOM 0 HZ2 LYS A 90 18.575 38.805 -8.172 1.00 54.22 H new ATOM 0 HZ3 LYS A 90 17.805 39.440 -9.546 1.00 54.22 H new ATOM 1367 N MET A 91 14.677 39.883 -2.571 1.00 14.21 N ATOM 1368 CA MET A 91 13.470 39.943 -1.755 1.00 35.13 C ATOM 1369 C MET A 91 13.726 40.706 -0.459 1.00 65.21 C ATOM 1370 O MET A 91 12.997 41.638 -0.120 1.00 34.52 O ATOM 1371 CB MET A 91 12.971 38.531 -1.439 1.00 4.31 C ATOM 1372 CG MET A 91 11.563 38.497 -0.867 1.00 4.51 C ATOM 1373 SD MET A 91 11.260 37.037 0.146 1.00 70.23 S ATOM 1374 CE MET A 91 11.181 37.768 1.779 1.00 22.40 C ATOM 0 H MET A 91 14.966 38.939 -2.829 1.00 14.21 H new ATOM 0 HA MET A 91 12.705 40.473 -2.322 1.00 35.13 H new ATOM 0 HB2 MET A 91 12.999 37.933 -2.350 1.00 4.31 H new ATOM 0 HB3 MET A 91 13.654 38.064 -0.729 1.00 4.31 H new ATOM 0 HG2 MET A 91 11.397 39.392 -0.267 1.00 4.51 H new ATOM 0 HG3 MET A 91 10.842 38.523 -1.684 1.00 4.51 H new ATOM 0 HE1 MET A 91 11.609 37.079 2.507 1.00 22.40 H new ATOM 0 HE2 MET A 91 11.744 38.701 1.788 1.00 22.40 H new ATOM 0 HE3 MET A 91 10.141 37.969 2.038 1.00 22.40 H new ATOM 1384 N LYS A 92 14.768 40.305 0.262 1.00 60.22 N ATOM 1385 CA LYS A 92 15.123 40.951 1.520 1.00 35.30 C ATOM 1386 C LYS A 92 15.358 42.444 1.317 1.00 3.05 C ATOM 1387 O LYS A 92 15.045 43.256 2.189 1.00 53.32 O ATOM 1388 CB LYS A 92 16.374 40.302 2.115 1.00 4.01 C ATOM 1389 CG LYS A 92 16.116 38.943 2.742 1.00 14.13 C ATOM 1390 CD LYS A 92 16.080 39.027 4.259 1.00 35.30 C ATOM 1391 CE LYS A 92 15.417 37.801 4.869 1.00 23.12 C ATOM 1392 NZ LYS A 92 16.286 37.151 5.889 1.00 22.20 N ATOM 0 H LYS A 92 15.382 39.535 -0.004 1.00 60.22 H new ATOM 0 HA LYS A 92 14.291 40.823 2.213 1.00 35.30 H new ATOM 0 HB2 LYS A 92 17.125 40.195 1.332 1.00 4.01 H new ATOM 0 HB3 LYS A 92 16.794 40.967 2.870 1.00 4.01 H new ATOM 0 HG2 LYS A 92 15.169 38.546 2.376 1.00 14.13 H new ATOM 0 HG3 LYS A 92 16.894 38.245 2.434 1.00 14.13 H new ATOM 0 HD2 LYS A 92 17.095 39.122 4.644 1.00 35.30 H new ATOM 0 HD3 LYS A 92 15.539 39.923 4.562 1.00 35.30 H new ATOM 0 HE2 LYS A 92 14.472 38.090 5.328 1.00 23.12 H new ATOM 0 HE3 LYS A 92 15.183 37.085 4.081 1.00 23.12 H new ATOM 0 HZ1 LYS A 92 15.806 36.310 6.269 1.00 22.20 H new ATOM 0 HZ2 LYS A 92 17.185 36.868 5.449 1.00 22.20 H new ATOM 0 HZ3 LYS A 92 16.475 37.821 6.662 1.00 22.20 H new ATOM 1406 N LEU A 93 15.911 42.800 0.163 1.00 31.30 N ATOM 1407 CA LEU A 93 16.187 44.196 -0.155 1.00 3.43 C ATOM 1408 C LEU A 93 14.897 44.951 -0.461 1.00 23.31 C ATOM 1409 O LEU A 93 14.502 45.851 0.279 1.00 5.03 O ATOM 1410 CB LEU A 93 17.141 44.290 -1.347 1.00 22.31 C ATOM 1411 CG LEU A 93 18.410 43.441 -1.259 1.00 72.44 C ATOM 1412 CD1 LEU A 93 19.252 43.609 -2.514 1.00 65.11 C ATOM 1413 CD2 LEU A 93 19.214 43.809 -0.021 1.00 40.32 C ATOM 0 H LEU A 93 16.177 42.141 -0.568 1.00 31.30 H new ATOM 0 HA LEU A 93 16.657 44.654 0.715 1.00 3.43 H new ATOM 0 HB2 LEU A 93 16.597 44.002 -2.246 1.00 22.31 H new ATOM 0 HB3 LEU A 93 17.433 45.333 -1.472 1.00 22.31 H new ATOM 0 HG LEU A 93 18.119 42.394 -1.179 1.00 72.44 H new ATOM 0 HD11 LEU A 93 20.151 42.998 -2.434 1.00 65.11 H new ATOM 0 HD12 LEU A 93 18.675 43.294 -3.384 1.00 65.11 H new ATOM 0 HD13 LEU A 93 19.534 44.656 -2.625 1.00 65.11 H new ATOM 0 HD21 LEU A 93 20.113 43.195 0.025 1.00 40.32 H new ATOM 0 HD22 LEU A 93 19.495 44.861 -0.069 1.00 40.32 H new ATOM 0 HD23 LEU A 93 18.610 43.635 0.870 1.00 40.32 H new ATOM 1425 N ALA A 94 14.244 44.575 -1.556 1.00 0.33 N ATOM 1426 CA ALA A 94 12.996 45.213 -1.957 1.00 44.23 C ATOM 1427 C ALA A 94 11.990 45.220 -0.812 1.00 33.30 C ATOM 1428 O ALA A 94 11.143 46.108 -0.724 1.00 54.10 O ATOM 1429 CB ALA A 94 12.411 44.510 -3.173 1.00 24.41 C ATOM 0 H ALA A 94 14.558 43.832 -2.181 1.00 0.33 H new ATOM 0 HA ALA A 94 13.214 46.248 -2.220 1.00 44.23 H new ATOM 0 HB1 ALA A 94 11.479 44.997 -3.462 1.00 24.41 H new ATOM 0 HB2 ALA A 94 13.119 44.563 -4.000 1.00 24.41 H new ATOM 0 HB3 ALA A 94 12.215 43.466 -2.930 1.00 24.41 H new ATOM 1435 N GLN A 95 12.088 44.223 0.062 1.00 2.31 N ATOM 1436 CA GLN A 95 11.184 44.115 1.201 1.00 23.40 C ATOM 1437 C GLN A 95 11.229 45.378 2.054 1.00 24.13 C ATOM 1438 O GLN A 95 10.192 45.905 2.453 1.00 14.33 O ATOM 1439 CB GLN A 95 11.547 42.897 2.052 1.00 31.34 C ATOM 1440 CG GLN A 95 10.730 41.658 1.721 1.00 24.10 C ATOM 1441 CD GLN A 95 9.924 41.157 2.903 1.00 52.21 C ATOM 1442 OE1 GLN A 95 10.130 40.042 3.382 1.00 32.30 O ATOM 1443 NE2 GLN A 95 8.999 41.981 3.380 1.00 14.43 N ATOM 0 H GLN A 95 12.784 43.479 0.003 1.00 2.31 H new ATOM 0 HA GLN A 95 10.171 43.994 0.819 1.00 23.40 H new ATOM 0 HB2 GLN A 95 12.605 42.672 1.916 1.00 31.34 H new ATOM 0 HB3 GLN A 95 11.406 43.144 3.104 1.00 31.34 H new ATOM 0 HG2 GLN A 95 10.055 41.883 0.895 1.00 24.10 H new ATOM 0 HG3 GLN A 95 11.398 40.867 1.381 1.00 24.10 H new ATOM 0 HE21 GLN A 95 8.862 42.897 2.952 1.00 14.43 H new ATOM 0 HE22 GLN A 95 8.425 41.698 4.175 1.00 14.43 H new ATOM 1452 N GLN A 96 12.438 45.857 2.330 1.00 42.01 N ATOM 1453 CA GLN A 96 12.617 47.058 3.137 1.00 5.10 C ATOM 1454 C GLN A 96 12.744 48.294 2.253 1.00 51.32 C ATOM 1455 O GLN A 96 12.561 49.421 2.714 1.00 13.00 O ATOM 1456 CB GLN A 96 13.856 46.922 4.024 1.00 64.12 C ATOM 1457 CG GLN A 96 14.004 45.547 4.656 1.00 42.23 C ATOM 1458 CD GLN A 96 14.574 45.608 6.059 1.00 11.22 C ATOM 1459 OE1 GLN A 96 14.051 44.983 6.982 1.00 74.43 O ATOM 1460 NE2 GLN A 96 15.652 46.364 6.228 1.00 5.12 N ATOM 0 H GLN A 96 13.307 45.432 2.007 1.00 42.01 H new ATOM 0 HA GLN A 96 11.737 47.175 3.769 1.00 5.10 H new ATOM 0 HB2 GLN A 96 14.744 47.137 3.429 1.00 64.12 H new ATOM 0 HB3 GLN A 96 13.812 47.673 4.813 1.00 64.12 H new ATOM 0 HG2 GLN A 96 13.030 45.058 4.684 1.00 42.23 H new ATOM 0 HG3 GLN A 96 14.652 44.932 4.031 1.00 42.23 H new ATOM 0 HE21 GLN A 96 16.053 46.865 5.435 1.00 5.12 H new ATOM 0 HE22 GLN A 96 16.079 46.444 7.151 1.00 5.12 H new ATOM 1469 N TYR A 97 13.058 48.076 0.981 1.00 64.11 N ATOM 1470 CA TYR A 97 13.212 49.173 0.032 1.00 22.44 C ATOM 1471 C TYR A 97 11.921 49.404 -0.747 1.00 64.54 C ATOM 1472 O TYR A 97 11.946 49.862 -1.890 1.00 13.24 O ATOM 1473 CB TYR A 97 14.360 48.881 -0.935 1.00 64.41 C ATOM 1474 CG TYR A 97 15.730 49.072 -0.324 1.00 63.15 C ATOM 1475 CD1 TYR A 97 16.141 50.319 0.132 1.00 60.44 C ATOM 1476 CD2 TYR A 97 16.614 48.007 -0.204 1.00 62.24 C ATOM 1477 CE1 TYR A 97 17.392 50.498 0.690 1.00 50.54 C ATOM 1478 CE2 TYR A 97 17.866 48.177 0.354 1.00 43.14 C ATOM 1479 CZ TYR A 97 18.251 49.425 0.799 1.00 73.42 C ATOM 1480 OH TYR A 97 19.498 49.599 1.354 1.00 73.30 O ATOM 0 H TYR A 97 13.211 47.149 0.583 1.00 64.11 H new ATOM 0 HA TYR A 97 13.442 50.078 0.595 1.00 22.44 H new ATOM 0 HB2 TYR A 97 14.271 47.855 -1.293 1.00 64.41 H new ATOM 0 HB3 TYR A 97 14.265 49.531 -1.805 1.00 64.41 H new ATOM 0 HD1 TYR A 97 15.471 51.162 0.049 1.00 60.44 H new ATOM 0 HD2 TYR A 97 16.317 47.029 -0.553 1.00 62.24 H new ATOM 0 HE1 TYR A 97 17.696 51.474 1.039 1.00 50.54 H new ATOM 0 HE2 TYR A 97 18.540 47.338 0.442 1.00 43.14 H new ATOM 0 HH TYR A 97 19.977 48.744 1.357 1.00 73.30 H new ATOM 1490 N VAL A 98 10.794 49.083 -0.121 1.00 32.51 N ATOM 1491 CA VAL A 98 9.492 49.256 -0.754 1.00 33.14 C ATOM 1492 C VAL A 98 8.760 50.465 -0.182 1.00 74.10 C ATOM 1493 O VAL A 98 8.006 51.137 -0.886 1.00 24.20 O ATOM 1494 CB VAL A 98 8.611 48.005 -0.576 1.00 54.14 C ATOM 1495 CG1 VAL A 98 8.373 47.724 0.899 1.00 33.14 C ATOM 1496 CG2 VAL A 98 7.291 48.174 -1.315 1.00 4.32 C ATOM 0 H VAL A 98 10.756 48.702 0.824 1.00 32.51 H new ATOM 0 HA VAL A 98 9.675 49.414 -1.817 1.00 33.14 H new ATOM 0 HB VAL A 98 9.134 47.150 -1.004 1.00 54.14 H new ATOM 0 HG11 VAL A 98 7.749 46.837 1.004 1.00 33.14 H new ATOM 0 HG12 VAL A 98 9.328 47.557 1.396 1.00 33.14 H new ATOM 0 HG13 VAL A 98 7.871 48.577 1.356 1.00 33.14 H new ATOM 0 HG21 VAL A 98 6.681 47.281 -1.179 1.00 4.32 H new ATOM 0 HG22 VAL A 98 6.761 49.040 -0.919 1.00 4.32 H new ATOM 0 HG23 VAL A 98 7.485 48.322 -2.377 1.00 4.32 H new ATOM 1506 N MET A 99 8.987 50.736 1.099 1.00 51.20 N ATOM 1507 CA MET A 99 8.350 51.866 1.765 1.00 12.22 C ATOM 1508 C MET A 99 8.926 53.187 1.266 1.00 42.24 C ATOM 1509 O MET A 99 8.369 54.256 1.520 1.00 70.34 O ATOM 1510 CB MET A 99 8.528 51.759 3.281 1.00 44.12 C ATOM 1511 CG MET A 99 9.931 52.107 3.754 1.00 54.05 C ATOM 1512 SD MET A 99 10.250 51.560 5.442 1.00 40.42 S ATOM 1513 CE MET A 99 12.014 51.848 5.563 1.00 72.43 C ATOM 0 H MET A 99 9.607 50.189 1.696 1.00 51.20 H new ATOM 0 HA MET A 99 7.286 51.842 1.529 1.00 12.22 H new ATOM 0 HB2 MET A 99 7.814 52.421 3.770 1.00 44.12 H new ATOM 0 HB3 MET A 99 8.289 50.743 3.596 1.00 44.12 H new ATOM 0 HG2 MET A 99 10.660 51.650 3.084 1.00 54.05 H new ATOM 0 HG3 MET A 99 10.074 53.186 3.693 1.00 54.05 H new ATOM 0 HE1 MET A 99 12.363 51.557 6.554 1.00 72.43 H new ATOM 0 HE2 MET A 99 12.532 51.257 4.808 1.00 72.43 H new ATOM 0 HE3 MET A 99 12.222 52.906 5.401 1.00 72.43 H new ATOM 1523 N THR A 100 10.046 53.108 0.554 1.00 62.34 N ATOM 1524 CA THR A 100 10.699 54.297 0.020 1.00 75.30 C ATOM 1525 C THR A 100 10.127 54.673 -1.342 1.00 71.12 C ATOM 1526 O THR A 100 9.347 55.618 -1.459 1.00 73.21 O ATOM 1527 CB THR A 100 12.219 54.091 -0.113 1.00 43.12 C ATOM 1528 OG1 THR A 100 12.532 52.695 -0.053 1.00 40.03 O ATOM 1529 CG2 THR A 100 12.964 54.830 0.988 1.00 12.44 C ATOM 0 H THR A 100 10.520 52.232 0.334 1.00 62.34 H new ATOM 0 HA THR A 100 10.510 55.106 0.726 1.00 75.30 H new ATOM 0 HB THR A 100 12.534 54.492 -1.076 1.00 43.12 H new ATOM 0 HG1 THR A 100 13.500 52.573 -0.140 1.00 40.03 H new ATOM 0 HG21 THR A 100 14.036 54.669 0.873 1.00 12.44 H new ATOM 0 HG22 THR A 100 12.748 55.896 0.921 1.00 12.44 H new ATOM 0 HG23 THR A 100 12.643 54.455 1.960 1.00 12.44 H new ATOM 1537 N SER A 101 10.520 53.927 -2.370 1.00 54.20 N ATOM 1538 CA SER A 101 10.048 54.185 -3.726 1.00 21.14 C ATOM 1539 C SER A 101 10.702 53.229 -4.719 1.00 52.21 C ATOM 1540 O SER A 101 10.100 52.854 -5.726 1.00 52.43 O ATOM 1541 CB SER A 101 10.342 55.632 -4.124 1.00 44.40 C ATOM 1542 OG SER A 101 9.144 56.345 -4.379 1.00 63.22 O ATOM 0 H SER A 101 11.164 53.140 -2.290 1.00 54.20 H new ATOM 0 HA SER A 101 8.970 54.022 -3.747 1.00 21.14 H new ATOM 0 HB2 SER A 101 10.900 56.125 -3.328 1.00 44.40 H new ATOM 0 HB3 SER A 101 10.974 55.647 -5.012 1.00 44.40 H new ATOM 0 HG SER A 101 8.639 56.445 -3.545 1.00 63.22 H new ATOM 1548 N LEU A 102 11.938 52.838 -4.428 1.00 53.34 N ATOM 1549 CA LEU A 102 12.675 51.926 -5.295 1.00 63.32 C ATOM 1550 C LEU A 102 12.182 50.493 -5.123 1.00 75.23 C ATOM 1551 O LEU A 102 12.947 49.604 -4.752 1.00 32.45 O ATOM 1552 CB LEU A 102 14.173 52.001 -4.992 1.00 13.22 C ATOM 1553 CG LEU A 102 14.580 51.711 -3.547 1.00 1.02 C ATOM 1554 CD1 LEU A 102 15.830 50.845 -3.508 1.00 51.42 C ATOM 1555 CD2 LEU A 102 14.804 53.009 -2.785 1.00 45.10 C ATOM 0 H LEU A 102 12.450 53.138 -3.599 1.00 53.34 H new ATOM 0 HA LEU A 102 12.503 52.229 -6.328 1.00 63.32 H new ATOM 0 HB2 LEU A 102 14.691 51.296 -5.643 1.00 13.22 H new ATOM 0 HB3 LEU A 102 14.527 52.998 -5.255 1.00 13.22 H new ATOM 0 HG LEU A 102 13.770 51.165 -3.064 1.00 1.02 H new ATOM 0 HD11 LEU A 102 16.105 50.649 -2.472 1.00 51.42 H new ATOM 0 HD12 LEU A 102 15.635 49.901 -4.016 1.00 51.42 H new ATOM 0 HD13 LEU A 102 16.648 51.364 -4.008 1.00 51.42 H new ATOM 0 HD21 LEU A 102 15.093 52.783 -1.759 1.00 45.10 H new ATOM 0 HD22 LEU A 102 15.596 53.582 -3.267 1.00 45.10 H new ATOM 0 HD23 LEU A 102 13.884 53.593 -2.783 1.00 45.10 H new ATOM 1567 N GLN A 103 10.899 50.277 -5.398 1.00 42.23 N ATOM 1568 CA GLN A 103 10.304 48.952 -5.275 1.00 64.32 C ATOM 1569 C GLN A 103 10.264 48.245 -6.626 1.00 43.44 C ATOM 1570 O GLN A 103 10.724 47.112 -6.758 1.00 22.53 O ATOM 1571 CB GLN A 103 8.891 49.055 -4.698 1.00 45.14 C ATOM 1572 CG GLN A 103 8.006 50.049 -5.432 1.00 41.41 C ATOM 1573 CD GLN A 103 6.711 50.332 -4.696 1.00 61.52 C ATOM 1574 OE1 GLN A 103 5.786 49.519 -4.710 1.00 21.22 O ATOM 1575 NE2 GLN A 103 6.638 51.488 -4.048 1.00 1.11 N ATOM 0 H GLN A 103 10.252 51.003 -5.707 1.00 42.23 H new ATOM 0 HA GLN A 103 10.924 48.365 -4.597 1.00 64.32 H new ATOM 0 HB2 GLN A 103 8.422 48.072 -4.729 1.00 45.14 H new ATOM 0 HB3 GLN A 103 8.956 49.344 -3.649 1.00 45.14 H new ATOM 0 HG2 GLN A 103 8.552 50.982 -5.571 1.00 41.41 H new ATOM 0 HG3 GLN A 103 7.778 49.662 -6.425 1.00 41.41 H new ATOM 0 HE21 GLN A 103 7.429 52.132 -4.063 1.00 1.11 H new ATOM 0 HE22 GLN A 103 5.791 51.732 -3.535 1.00 1.11 H new ATOM 1584 N GLN A 104 9.711 48.923 -7.627 1.00 3.52 N ATOM 1585 CA GLN A 104 9.611 48.359 -8.968 1.00 14.54 C ATOM 1586 C GLN A 104 10.986 47.974 -9.501 1.00 25.23 C ATOM 1587 O GLN A 104 11.140 46.950 -10.165 1.00 73.42 O ATOM 1588 CB GLN A 104 8.945 49.359 -9.915 1.00 60.35 C ATOM 1589 CG GLN A 104 7.486 49.630 -9.586 1.00 40.43 C ATOM 1590 CD GLN A 104 7.215 51.094 -9.300 1.00 2.32 C ATOM 1591 OE1 GLN A 104 7.657 51.632 -8.284 1.00 20.01 O ATOM 1592 NE2 GLN A 104 6.486 51.748 -10.196 1.00 54.11 N ATOM 0 H GLN A 104 9.326 49.863 -7.535 1.00 3.52 H new ATOM 0 HA GLN A 104 8.999 47.459 -8.912 1.00 14.54 H new ATOM 0 HB2 GLN A 104 9.496 50.299 -9.884 1.00 60.35 H new ATOM 0 HB3 GLN A 104 9.015 48.982 -10.935 1.00 60.35 H new ATOM 0 HG2 GLN A 104 6.863 49.305 -10.419 1.00 40.43 H new ATOM 0 HG3 GLN A 104 7.196 49.035 -8.720 1.00 40.43 H new ATOM 0 HE21 GLN A 104 6.140 51.263 -11.024 1.00 54.11 H new ATOM 0 HE22 GLN A 104 6.272 52.736 -10.057 1.00 54.11 H new ATOM 1601 N GLU A 105 11.984 48.802 -9.205 1.00 32.41 N ATOM 1602 CA GLU A 105 13.347 48.547 -9.656 1.00 73.42 C ATOM 1603 C GLU A 105 13.787 47.133 -9.287 1.00 33.04 C ATOM 1604 O GLU A 105 14.110 46.324 -10.157 1.00 12.21 O ATOM 1605 CB GLU A 105 14.309 49.568 -9.046 1.00 61.03 C ATOM 1606 CG GLU A 105 14.578 50.763 -9.945 1.00 12.30 C ATOM 1607 CD GLU A 105 16.052 51.106 -10.035 1.00 63.41 C ATOM 1608 OE1 GLU A 105 16.838 50.233 -10.461 1.00 2.31 O ATOM 1609 OE2 GLU A 105 16.420 52.245 -9.680 1.00 23.31 O ATOM 0 H GLU A 105 11.874 49.654 -8.655 1.00 32.41 H new ATOM 0 HA GLU A 105 13.367 48.643 -10.742 1.00 73.42 H new ATOM 0 HB2 GLU A 105 13.899 49.921 -8.100 1.00 61.03 H new ATOM 0 HB3 GLU A 105 15.254 49.074 -8.820 1.00 61.03 H new ATOM 0 HG2 GLU A 105 14.196 50.554 -10.944 1.00 12.30 H new ATOM 0 HG3 GLU A 105 14.030 51.627 -9.568 1.00 12.30 H new ATOM 1616 N TYR A 106 13.797 46.843 -7.990 1.00 40.13 N ATOM 1617 CA TYR A 106 14.200 45.529 -7.504 1.00 61.23 C ATOM 1618 C TYR A 106 13.422 44.424 -8.212 1.00 73.11 C ATOM 1619 O TYR A 106 13.948 43.340 -8.464 1.00 45.14 O ATOM 1620 CB TYR A 106 13.984 45.432 -5.993 1.00 50.41 C ATOM 1621 CG TYR A 106 15.178 45.881 -5.181 1.00 13.31 C ATOM 1622 CD1 TYR A 106 16.411 45.256 -5.318 1.00 71.34 C ATOM 1623 CD2 TYR A 106 15.073 46.930 -4.276 1.00 35.25 C ATOM 1624 CE1 TYR A 106 17.504 45.662 -4.578 1.00 23.20 C ATOM 1625 CE2 TYR A 106 16.161 47.344 -3.532 1.00 72.51 C ATOM 1626 CZ TYR A 106 17.374 46.706 -3.687 1.00 3.44 C ATOM 1627 OH TYR A 106 18.460 47.115 -2.947 1.00 25.41 O ATOM 0 H TYR A 106 13.531 47.500 -7.257 1.00 40.13 H new ATOM 0 HA TYR A 106 15.260 45.399 -7.722 1.00 61.23 H new ATOM 0 HB2 TYR A 106 13.120 46.037 -5.718 1.00 50.41 H new ATOM 0 HB3 TYR A 106 13.746 44.400 -5.734 1.00 50.41 H new ATOM 0 HD1 TYR A 106 16.517 44.438 -6.015 1.00 71.34 H new ATOM 0 HD2 TYR A 106 14.124 47.431 -4.152 1.00 35.25 H new ATOM 0 HE1 TYR A 106 18.455 45.165 -4.697 1.00 23.20 H new ATOM 0 HE2 TYR A 106 16.062 48.162 -2.834 1.00 72.51 H new ATOM 0 HH TYR A 106 18.162 47.400 -2.058 1.00 25.41 H new ATOM 1637 N LYS A 107 12.163 44.707 -8.531 1.00 22.01 N ATOM 1638 CA LYS A 107 11.310 43.740 -9.212 1.00 11.34 C ATOM 1639 C LYS A 107 11.730 43.575 -10.669 1.00 21.44 C ATOM 1640 O LYS A 107 11.662 42.478 -11.225 1.00 14.34 O ATOM 1641 CB LYS A 107 9.846 44.181 -9.139 1.00 22.12 C ATOM 1642 CG LYS A 107 9.333 44.355 -7.720 1.00 22.02 C ATOM 1643 CD LYS A 107 7.977 45.040 -7.697 1.00 43.52 C ATOM 1644 CE LYS A 107 7.683 45.648 -6.334 1.00 53.23 C ATOM 1645 NZ LYS A 107 7.250 44.618 -5.350 1.00 1.34 N ATOM 0 H LYS A 107 11.711 45.599 -8.329 1.00 22.01 H new ATOM 0 HA LYS A 107 11.420 42.779 -8.710 1.00 11.34 H new ATOM 0 HB2 LYS A 107 9.732 45.123 -9.676 1.00 22.12 H new ATOM 0 HB3 LYS A 107 9.227 43.445 -9.652 1.00 22.12 H new ATOM 0 HG2 LYS A 107 9.258 43.381 -7.237 1.00 22.02 H new ATOM 0 HG3 LYS A 107 10.048 44.942 -7.143 1.00 22.02 H new ATOM 0 HD2 LYS A 107 7.949 45.820 -8.458 1.00 43.52 H new ATOM 0 HD3 LYS A 107 7.200 44.319 -7.950 1.00 43.52 H new ATOM 0 HE2 LYS A 107 8.574 46.154 -5.962 1.00 53.23 H new ATOM 0 HE3 LYS A 107 6.905 46.405 -6.434 1.00 53.23 H new ATOM 0 HZ1 LYS A 107 7.694 44.809 -4.429 1.00 1.34 H new ATOM 0 HZ2 LYS A 107 6.215 44.648 -5.249 1.00 1.34 H new ATOM 0 HZ3 LYS A 107 7.538 43.676 -5.684 1.00 1.34 H new ATOM 1659 N LYS A 108 12.166 44.670 -11.282 1.00 25.41 N ATOM 1660 CA LYS A 108 12.601 44.646 -12.674 1.00 11.05 C ATOM 1661 C LYS A 108 13.791 43.710 -12.856 1.00 63.11 C ATOM 1662 O LYS A 108 13.703 42.712 -13.570 1.00 74.42 O ATOM 1663 CB LYS A 108 12.972 46.056 -13.137 1.00 52.44 C ATOM 1664 CG LYS A 108 11.928 46.695 -14.037 1.00 14.12 C ATOM 1665 CD LYS A 108 12.332 48.101 -14.449 1.00 74.44 C ATOM 1666 CE LYS A 108 11.285 48.740 -15.349 1.00 60.22 C ATOM 1667 NZ LYS A 108 11.536 48.446 -16.787 1.00 42.34 N ATOM 0 H LYS A 108 12.228 45.586 -10.837 1.00 25.41 H new ATOM 0 HA LYS A 108 11.775 44.276 -13.281 1.00 11.05 H new ATOM 0 HB2 LYS A 108 13.122 46.689 -12.262 1.00 52.44 H new ATOM 0 HB3 LYS A 108 13.923 46.016 -13.669 1.00 52.44 H new ATOM 0 HG2 LYS A 108 11.788 46.080 -14.926 1.00 14.12 H new ATOM 0 HG3 LYS A 108 10.970 46.728 -13.518 1.00 14.12 H new ATOM 0 HD2 LYS A 108 12.473 48.716 -13.560 1.00 74.44 H new ATOM 0 HD3 LYS A 108 13.289 48.068 -14.969 1.00 74.44 H new ATOM 0 HE2 LYS A 108 10.296 48.376 -15.071 1.00 60.22 H new ATOM 0 HE3 LYS A 108 11.282 49.819 -15.194 1.00 60.22 H new ATOM 0 HZ1 LYS A 108 10.801 48.899 -17.367 1.00 42.34 H new ATOM 0 HZ2 LYS A 108 12.469 48.816 -17.059 1.00 42.34 H new ATOM 0 HZ3 LYS A 108 11.513 47.418 -16.940 1.00 42.34 H new ATOM 1681 N GLN A 109 14.902 44.039 -12.205 1.00 44.13 N ATOM 1682 CA GLN A 109 16.110 43.226 -12.296 1.00 54.33 C ATOM 1683 C GLN A 109 15.806 41.764 -11.986 1.00 41.23 C ATOM 1684 O GLN A 109 16.396 40.859 -12.576 1.00 52.42 O ATOM 1685 CB GLN A 109 17.178 43.752 -11.336 1.00 13.51 C ATOM 1686 CG GLN A 109 16.708 43.841 -9.893 1.00 12.21 C ATOM 1687 CD GLN A 109 17.329 45.006 -9.147 1.00 63.43 C ATOM 1688 OE1 GLN A 109 18.247 44.826 -8.346 1.00 34.02 O ATOM 1689 NE2 GLN A 109 16.832 46.209 -9.408 1.00 30.00 N ATOM 0 H GLN A 109 14.991 44.862 -11.609 1.00 44.13 H new ATOM 0 HA GLN A 109 16.486 43.292 -13.317 1.00 54.33 H new ATOM 0 HB2 GLN A 109 18.051 43.102 -11.386 1.00 13.51 H new ATOM 0 HB3 GLN A 109 17.497 44.740 -11.667 1.00 13.51 H new ATOM 0 HG2 GLN A 109 15.623 43.940 -9.874 1.00 12.21 H new ATOM 0 HG3 GLN A 109 16.953 42.912 -9.377 1.00 12.21 H new ATOM 0 HE21 GLN A 109 16.071 46.312 -10.079 1.00 30.00 H new ATOM 0 HE22 GLN A 109 17.211 47.031 -8.937 1.00 30.00 H new ATOM 1698 N MET A 110 14.883 41.541 -11.057 1.00 31.23 N ATOM 1699 CA MET A 110 14.501 40.188 -10.669 1.00 72.23 C ATOM 1700 C MET A 110 13.906 39.431 -11.853 1.00 22.14 C ATOM 1701 O MET A 110 14.241 38.270 -12.091 1.00 73.33 O ATOM 1702 CB MET A 110 13.495 40.229 -9.518 1.00 14.14 C ATOM 1703 CG MET A 110 13.556 39.009 -8.613 1.00 2.33 C ATOM 1704 SD MET A 110 11.932 38.288 -8.308 1.00 1.15 S ATOM 1705 CE MET A 110 12.130 36.676 -9.062 1.00 64.21 C ATOM 0 H MET A 110 14.386 42.279 -10.559 1.00 31.23 H new ATOM 0 HA MET A 110 15.398 39.665 -10.339 1.00 72.23 H new ATOM 0 HB2 MET A 110 13.675 41.123 -8.921 1.00 14.14 H new ATOM 0 HB3 MET A 110 12.489 40.317 -9.929 1.00 14.14 H new ATOM 0 HG2 MET A 110 14.203 38.258 -9.066 1.00 2.33 H new ATOM 0 HG3 MET A 110 14.009 39.289 -7.662 1.00 2.33 H new ATOM 0 HE1 MET A 110 11.198 36.384 -9.546 1.00 64.21 H new ATOM 0 HE2 MET A 110 12.927 36.717 -9.804 1.00 64.21 H new ATOM 0 HE3 MET A 110 12.386 35.945 -8.295 1.00 64.21 H new ATOM 1715 N LEU A 111 13.023 40.095 -12.590 1.00 61.23 N ATOM 1716 CA LEU A 111 12.381 39.484 -13.749 1.00 44.23 C ATOM 1717 C LEU A 111 13.421 38.959 -14.734 1.00 43.51 C ATOM 1718 O LEU A 111 13.283 37.861 -15.274 1.00 43.20 O ATOM 1719 CB LEU A 111 11.469 40.497 -14.444 1.00 64.24 C ATOM 1720 CG LEU A 111 9.974 40.178 -14.423 1.00 50.34 C ATOM 1721 CD1 LEU A 111 9.197 41.214 -15.221 1.00 35.21 C ATOM 1722 CD2 LEU A 111 9.719 38.781 -14.969 1.00 34.35 C ATOM 0 H LEU A 111 12.735 41.056 -12.406 1.00 61.23 H new ATOM 0 HA LEU A 111 11.781 38.643 -13.400 1.00 44.23 H new ATOM 0 HB2 LEU A 111 11.619 41.471 -13.978 1.00 64.24 H new ATOM 0 HB3 LEU A 111 11.786 40.589 -15.483 1.00 64.24 H new ATOM 0 HG LEU A 111 9.629 40.211 -13.390 1.00 50.34 H new ATOM 0 HD11 LEU A 111 8.135 40.971 -15.195 1.00 35.21 H new ATOM 0 HD12 LEU A 111 9.354 42.201 -14.786 1.00 35.21 H new ATOM 0 HD13 LEU A 111 9.544 41.213 -16.254 1.00 35.21 H new ATOM 0 HD21 LEU A 111 8.650 38.571 -14.946 1.00 34.35 H new ATOM 0 HD22 LEU A 111 10.079 38.720 -15.996 1.00 34.35 H new ATOM 0 HD23 LEU A 111 10.245 38.049 -14.356 1.00 34.35 H new ATOM 1734 N THR A 112 14.465 39.751 -14.963 1.00 32.13 N ATOM 1735 CA THR A 112 15.529 39.366 -15.881 1.00 40.42 C ATOM 1736 C THR A 112 16.134 38.023 -15.490 1.00 4.22 C ATOM 1737 O THR A 112 16.117 37.073 -16.271 1.00 65.23 O ATOM 1738 CB THR A 112 16.645 40.427 -15.923 1.00 63.03 C ATOM 1739 OG1 THR A 112 16.128 41.699 -15.517 1.00 40.04 O ATOM 1740 CG2 THR A 112 17.235 40.536 -17.321 1.00 43.41 C ATOM 0 H THR A 112 14.595 40.663 -14.525 1.00 32.13 H new ATOM 0 HA THR A 112 15.079 39.283 -16.870 1.00 40.42 H new ATOM 0 HB THR A 112 17.434 40.120 -15.236 1.00 63.03 H new ATOM 0 HG1 THR A 112 16.844 42.367 -15.545 1.00 40.04 H new ATOM 0 HG21 THR A 112 18.021 41.291 -17.326 1.00 43.41 H new ATOM 0 HG22 THR A 112 17.654 39.574 -17.615 1.00 43.41 H new ATOM 0 HG23 THR A 112 16.453 40.821 -18.025 1.00 43.41 H new ATOM 1748 N ALA A 113 16.668 37.951 -14.275 1.00 3.52 N ATOM 1749 CA ALA A 113 17.277 36.723 -13.779 1.00 54.20 C ATOM 1750 C ALA A 113 16.261 35.586 -13.736 1.00 1.45 C ATOM 1751 O ALA A 113 16.515 34.495 -14.245 1.00 12.23 O ATOM 1752 CB ALA A 113 17.876 36.951 -12.399 1.00 63.23 C ATOM 0 H ALA A 113 16.691 38.729 -13.616 1.00 3.52 H new ATOM 0 HA ALA A 113 18.074 36.438 -14.466 1.00 54.20 H new ATOM 0 HB1 ALA A 113 18.327 36.026 -12.041 1.00 63.23 H new ATOM 0 HB2 ALA A 113 18.638 37.728 -12.457 1.00 63.23 H new ATOM 0 HB3 ALA A 113 17.092 37.263 -11.709 1.00 63.23 H new ATOM 1758 N ALA A 114 15.111 35.849 -13.124 1.00 1.54 N ATOM 1759 CA ALA A 114 14.057 34.849 -13.015 1.00 61.41 C ATOM 1760 C ALA A 114 13.661 34.317 -14.388 1.00 41.14 C ATOM 1761 O ALA A 114 13.268 33.158 -14.527 1.00 53.52 O ATOM 1762 CB ALA A 114 12.846 35.433 -12.304 1.00 34.23 C ATOM 0 H ALA A 114 14.886 36.747 -12.696 1.00 1.54 H new ATOM 0 HA ALA A 114 14.441 34.015 -12.428 1.00 61.41 H new ATOM 0 HB1 ALA A 114 12.067 34.674 -12.230 1.00 34.23 H new ATOM 0 HB2 ALA A 114 13.133 35.757 -11.304 1.00 34.23 H new ATOM 0 HB3 ALA A 114 12.469 36.286 -12.868 1.00 34.23 H new ATOM 1768 N HIS A 115 13.767 35.171 -15.401 1.00 52.35 N ATOM 1769 CA HIS A 115 13.419 34.787 -16.765 1.00 2.00 C ATOM 1770 C HIS A 115 14.305 33.643 -17.250 1.00 3.53 C ATOM 1771 O HIS A 115 13.816 32.563 -17.579 1.00 3.31 O ATOM 1772 CB HIS A 115 13.553 35.985 -17.705 1.00 4.40 C ATOM 1773 CG HIS A 115 12.243 36.478 -18.238 1.00 64.02 C ATOM 1774 ND1 HIS A 115 12.093 36.989 -19.510 1.00 72.32 N ATOM 1775 CD2 HIS A 115 11.019 36.534 -17.664 1.00 52.34 C ATOM 1776 CE1 HIS A 115 10.833 37.340 -19.695 1.00 74.50 C ATOM 1777 NE2 HIS A 115 10.160 37.074 -18.590 1.00 33.40 N ATOM 0 H HIS A 115 14.091 36.133 -15.303 1.00 52.35 H new ATOM 0 HA HIS A 115 12.383 34.447 -16.767 1.00 2.00 H new ATOM 0 HB2 HIS A 115 14.049 36.798 -17.175 1.00 4.40 H new ATOM 0 HB3 HIS A 115 14.196 35.710 -18.541 1.00 4.40 H new ATOM 0 HD2 HIS A 115 10.765 36.214 -16.664 1.00 52.34 H new ATOM 0 HE1 HIS A 115 10.423 37.771 -20.596 1.00 74.50 H new ATOM 0 HE2 HIS A 115 9.164 37.242 -18.447 1.00 33.40 H new ATOM 1785 N ALA A 116 15.611 33.890 -17.291 1.00 73.54 N ATOM 1786 CA ALA A 116 16.564 32.880 -17.735 1.00 5.44 C ATOM 1787 C ALA A 116 16.434 31.603 -16.912 1.00 2.01 C ATOM 1788 O ALA A 116 16.487 30.497 -17.451 1.00 72.12 O ATOM 1789 CB ALA A 116 17.984 33.422 -17.650 1.00 53.42 C ATOM 0 H ALA A 116 16.032 34.779 -17.023 1.00 73.54 H new ATOM 0 HA ALA A 116 16.340 32.636 -18.774 1.00 5.44 H new ATOM 0 HB1 ALA A 116 18.686 32.658 -17.984 1.00 53.42 H new ATOM 0 HB2 ALA A 116 18.076 34.302 -18.286 1.00 53.42 H new ATOM 0 HB3 ALA A 116 18.208 33.694 -16.619 1.00 53.42 H new ATOM 1795 N LEU A 117 16.265 31.762 -15.604 1.00 11.10 N ATOM 1796 CA LEU A 117 16.128 30.621 -14.706 1.00 33.22 C ATOM 1797 C LEU A 117 14.869 29.822 -15.029 1.00 64.53 C ATOM 1798 O LEU A 117 14.921 28.603 -15.193 1.00 42.04 O ATOM 1799 CB LEU A 117 16.086 31.093 -13.252 1.00 12.24 C ATOM 1800 CG LEU A 117 16.813 30.210 -12.238 1.00 20.55 C ATOM 1801 CD1 LEU A 117 16.140 28.850 -12.135 1.00 31.31 C ATOM 1802 CD2 LEU A 117 18.278 30.054 -12.619 1.00 51.13 C ATOM 0 H LEU A 117 16.220 32.670 -15.142 1.00 11.10 H new ATOM 0 HA LEU A 117 16.994 29.974 -14.847 1.00 33.22 H new ATOM 0 HB2 LEU A 117 16.513 32.095 -13.204 1.00 12.24 H new ATOM 0 HB3 LEU A 117 15.043 31.177 -12.948 1.00 12.24 H new ATOM 0 HG LEU A 117 16.762 30.693 -11.262 1.00 20.55 H new ATOM 0 HD11 LEU A 117 16.671 28.235 -11.409 1.00 31.31 H new ATOM 0 HD12 LEU A 117 15.106 28.979 -11.814 1.00 31.31 H new ATOM 0 HD13 LEU A 117 16.159 28.360 -13.108 1.00 31.31 H new ATOM 0 HD21 LEU A 117 18.779 29.422 -11.886 1.00 51.13 H new ATOM 0 HD22 LEU A 117 18.351 29.594 -13.604 1.00 51.13 H new ATOM 0 HD23 LEU A 117 18.755 31.034 -12.640 1.00 51.13 H new ATOM 1814 N ALA A 118 13.740 30.517 -15.121 1.00 64.33 N ATOM 1815 CA ALA A 118 12.470 29.873 -15.429 1.00 73.45 C ATOM 1816 C ALA A 118 12.590 28.982 -16.661 1.00 62.14 C ATOM 1817 O ALA A 118 12.187 27.819 -16.641 1.00 55.11 O ATOM 1818 CB ALA A 118 11.384 30.919 -15.636 1.00 63.42 C ATOM 0 H ALA A 118 13.679 31.526 -14.987 1.00 64.33 H new ATOM 0 HA ALA A 118 12.196 29.243 -14.583 1.00 73.45 H new ATOM 0 HB1 ALA A 118 10.441 30.424 -15.865 1.00 63.42 H new ATOM 0 HB2 ALA A 118 11.271 31.511 -14.728 1.00 63.42 H new ATOM 0 HB3 ALA A 118 11.661 31.572 -16.463 1.00 63.42 H new ATOM 1824 N VAL A 119 13.148 29.535 -17.734 1.00 15.32 N ATOM 1825 CA VAL A 119 13.321 28.791 -18.975 1.00 65.32 C ATOM 1826 C VAL A 119 14.055 27.477 -18.730 1.00 4.11 C ATOM 1827 O VAL A 119 13.706 26.443 -19.300 1.00 44.31 O ATOM 1828 CB VAL A 119 14.100 29.614 -20.019 1.00 74.31 C ATOM 1829 CG1 VAL A 119 14.405 28.768 -21.246 1.00 4.11 C ATOM 1830 CG2 VAL A 119 13.319 30.862 -20.403 1.00 32.44 C ATOM 0 H VAL A 119 13.488 30.496 -17.768 1.00 15.32 H new ATOM 0 HA VAL A 119 12.323 28.581 -19.360 1.00 65.32 H new ATOM 0 HB VAL A 119 15.047 29.926 -19.578 1.00 74.31 H new ATOM 0 HG11 VAL A 119 14.955 29.366 -21.972 1.00 4.11 H new ATOM 0 HG12 VAL A 119 15.007 27.907 -20.954 1.00 4.11 H new ATOM 0 HG13 VAL A 119 13.472 28.424 -21.692 1.00 4.11 H new ATOM 0 HG21 VAL A 119 13.884 31.432 -21.141 1.00 32.44 H new ATOM 0 HG22 VAL A 119 12.357 30.573 -20.826 1.00 32.44 H new ATOM 0 HG23 VAL A 119 13.156 31.476 -19.517 1.00 32.44 H new ATOM 1840 N ASP A 120 15.073 27.525 -17.878 1.00 24.01 N ATOM 1841 CA ASP A 120 15.857 26.338 -17.555 1.00 53.00 C ATOM 1842 C ASP A 120 14.953 25.201 -17.089 1.00 21.13 C ATOM 1843 O ASP A 120 14.980 24.105 -17.647 1.00 62.42 O ATOM 1844 CB ASP A 120 16.890 26.661 -16.474 1.00 72.04 C ATOM 1845 CG ASP A 120 18.226 25.993 -16.733 1.00 1.21 C ATOM 1846 OD1 ASP A 120 18.640 25.928 -17.910 1.00 13.53 O ATOM 1847 OD2 ASP A 120 18.859 25.536 -15.758 1.00 73.03 O ATOM 0 H ASP A 120 15.375 28.373 -17.398 1.00 24.01 H new ATOM 0 HA ASP A 120 16.377 26.019 -18.458 1.00 53.00 H new ATOM 0 HB2 ASP A 120 17.031 27.741 -16.421 1.00 72.04 H new ATOM 0 HB3 ASP A 120 16.509 26.341 -15.504 1.00 72.04 H new ATOM 1852 N ALA A 121 14.154 25.470 -16.061 1.00 64.12 N ATOM 1853 CA ALA A 121 13.242 24.470 -15.520 1.00 61.14 C ATOM 1854 C ALA A 121 12.397 23.843 -16.625 1.00 2.55 C ATOM 1855 O ALA A 121 12.094 22.651 -16.588 1.00 31.22 O ATOM 1856 CB ALA A 121 12.348 25.091 -14.457 1.00 63.02 C ATOM 0 H ALA A 121 14.120 26.372 -15.586 1.00 64.12 H new ATOM 0 HA ALA A 121 13.838 23.681 -15.062 1.00 61.14 H new ATOM 0 HB1 ALA A 121 11.672 24.333 -14.062 1.00 63.02 H new ATOM 0 HB2 ALA A 121 12.964 25.485 -13.649 1.00 63.02 H new ATOM 0 HB3 ALA A 121 11.767 25.901 -14.898 1.00 63.02 H new ATOM 1862 N LYS A 122 12.019 24.655 -17.606 1.00 52.11 N ATOM 1863 CA LYS A 122 11.209 24.181 -18.722 1.00 51.11 C ATOM 1864 C LYS A 122 12.046 23.345 -19.685 1.00 74.11 C ATOM 1865 O LYS A 122 11.604 22.299 -20.158 1.00 31.42 O ATOM 1866 CB LYS A 122 10.587 25.365 -19.466 1.00 75.22 C ATOM 1867 CG LYS A 122 9.436 24.973 -20.378 1.00 2.34 C ATOM 1868 CD LYS A 122 9.422 25.808 -21.647 1.00 60.24 C ATOM 1869 CE LYS A 122 10.195 25.130 -22.768 1.00 40.13 C ATOM 1870 NZ LYS A 122 10.551 26.086 -23.854 1.00 34.24 N ATOM 0 H LYS A 122 12.261 25.645 -17.651 1.00 52.11 H new ATOM 0 HA LYS A 122 10.413 23.553 -18.321 1.00 51.11 H new ATOM 0 HB2 LYS A 122 10.231 26.094 -18.738 1.00 75.22 H new ATOM 0 HB3 LYS A 122 11.358 25.857 -20.059 1.00 75.22 H new ATOM 0 HG2 LYS A 122 9.519 23.917 -20.637 1.00 2.34 H new ATOM 0 HG3 LYS A 122 8.492 25.098 -19.848 1.00 2.34 H new ATOM 0 HD2 LYS A 122 8.392 25.975 -21.963 1.00 60.24 H new ATOM 0 HD3 LYS A 122 9.856 26.787 -21.445 1.00 60.24 H new ATOM 0 HE2 LYS A 122 11.104 24.684 -22.364 1.00 40.13 H new ATOM 0 HE3 LYS A 122 9.598 24.317 -23.181 1.00 40.13 H new ATOM 0 HZ1 LYS A 122 11.077 25.585 -24.599 1.00 34.24 H new ATOM 0 HZ2 LYS A 122 9.683 26.493 -24.257 1.00 34.24 H new ATOM 0 HZ3 LYS A 122 11.142 26.848 -23.465 1.00 34.24 H new ATOM 1884 N ASN A 123 13.256 23.813 -19.970 1.00 4.11 N ATOM 1885 CA ASN A 123 14.155 23.107 -20.876 1.00 2.20 C ATOM 1886 C ASN A 123 14.484 21.717 -20.342 1.00 21.52 C ATOM 1887 O ASN A 123 14.870 20.824 -21.098 1.00 41.11 O ATOM 1888 CB ASN A 123 15.444 23.907 -21.075 1.00 40.41 C ATOM 1889 CG ASN A 123 15.192 25.262 -21.708 1.00 54.02 C ATOM 1890 OD1 ASN A 123 14.045 25.666 -21.900 1.00 75.23 O ATOM 1891 ND2 ASN A 123 16.265 25.971 -22.036 1.00 65.02 N ATOM 0 H ASN A 123 13.637 24.678 -19.587 1.00 4.11 H new ATOM 0 HA ASN A 123 13.651 22.998 -21.836 1.00 2.20 H new ATOM 0 HB2 ASN A 123 15.935 24.045 -20.112 1.00 40.41 H new ATOM 0 HB3 ASN A 123 16.129 23.337 -21.703 1.00 40.41 H new ATOM 0 HD21 ASN A 123 16.157 26.890 -22.465 1.00 65.02 H new ATOM 0 HD22 ASN A 123 17.197 25.597 -21.859 1.00 65.02 H new ATOM 1898 N LEU A 124 14.328 21.539 -19.035 1.00 24.05 N ATOM 1899 CA LEU A 124 14.608 20.256 -18.398 1.00 10.50 C ATOM 1900 C LEU A 124 13.866 19.126 -19.103 1.00 34.55 C ATOM 1901 O LEU A 124 14.479 18.175 -19.590 1.00 32.10 O ATOM 1902 CB LEU A 124 14.211 20.300 -16.921 1.00 51.44 C ATOM 1903 CG LEU A 124 15.067 21.193 -16.022 1.00 40.24 C ATOM 1904 CD1 LEU A 124 14.612 21.087 -14.575 1.00 74.03 C ATOM 1905 CD2 LEU A 124 16.538 20.824 -16.149 1.00 32.30 C ATOM 0 H LEU A 124 14.009 22.267 -18.395 1.00 24.05 H new ATOM 0 HA LEU A 124 15.679 20.066 -18.474 1.00 10.50 H new ATOM 0 HB2 LEU A 124 13.176 20.636 -16.853 1.00 51.44 H new ATOM 0 HB3 LEU A 124 14.243 19.284 -16.527 1.00 51.44 H new ATOM 0 HG LEU A 124 14.943 22.227 -16.345 1.00 40.24 H new ATOM 0 HD11 LEU A 124 15.233 21.729 -13.950 1.00 74.03 H new ATOM 0 HD12 LEU A 124 13.571 21.401 -14.497 1.00 74.03 H new ATOM 0 HD13 LEU A 124 14.705 20.054 -14.239 1.00 74.03 H new ATOM 0 HD21 LEU A 124 17.132 21.470 -15.502 1.00 32.30 H new ATOM 0 HD22 LEU A 124 16.679 19.785 -15.853 1.00 32.30 H new ATOM 0 HD23 LEU A 124 16.858 20.953 -17.183 1.00 32.30 H new ATOM 1917 N LEU A 125 12.543 19.236 -19.155 1.00 32.54 N ATOM 1918 CA LEU A 125 11.716 18.223 -19.802 1.00 52.11 C ATOM 1919 C LEU A 125 11.687 18.429 -21.313 1.00 71.52 C ATOM 1920 O LEU A 125 11.619 17.467 -22.079 1.00 52.12 O ATOM 1921 CB LEU A 125 10.293 18.265 -19.243 1.00 34.01 C ATOM 1922 CG LEU A 125 9.857 17.049 -18.424 1.00 50.13 C ATOM 1923 CD1 LEU A 125 10.107 17.286 -16.943 1.00 22.50 C ATOM 1924 CD2 LEU A 125 8.389 16.735 -18.676 1.00 24.23 C ATOM 0 H LEU A 125 12.020 20.016 -18.757 1.00 32.54 H new ATOM 0 HA LEU A 125 12.152 17.246 -19.595 1.00 52.11 H new ATOM 0 HB2 LEU A 125 10.196 19.153 -18.618 1.00 34.01 H new ATOM 0 HB3 LEU A 125 9.600 18.384 -20.076 1.00 34.01 H new ATOM 0 HG LEU A 125 10.451 16.191 -18.739 1.00 50.13 H new ATOM 0 HD11 LEU A 125 9.791 16.410 -16.376 1.00 22.50 H new ATOM 0 HD12 LEU A 125 11.170 17.461 -16.777 1.00 22.50 H new ATOM 0 HD13 LEU A 125 9.540 18.156 -16.613 1.00 22.50 H new ATOM 0 HD21 LEU A 125 8.096 15.867 -18.085 1.00 24.23 H new ATOM 0 HD22 LEU A 125 7.779 17.592 -18.389 1.00 24.23 H new ATOM 0 HD23 LEU A 125 8.239 16.521 -19.734 1.00 24.23 H new ATOM 1936 N ASP A 126 11.741 19.687 -21.735 1.00 1.00 N ATOM 1937 CA ASP A 126 11.725 20.019 -23.155 1.00 34.01 C ATOM 1938 C ASP A 126 12.878 19.339 -23.885 1.00 62.35 C ATOM 1939 O ASP A 126 12.700 18.787 -24.972 1.00 10.43 O ATOM 1940 CB ASP A 126 11.805 21.534 -23.347 1.00 44.13 C ATOM 1941 CG ASP A 126 11.165 21.988 -24.644 1.00 54.11 C ATOM 1942 OD1 ASP A 126 10.095 21.448 -24.999 1.00 5.42 O ATOM 1943 OD2 ASP A 126 11.732 22.884 -25.304 1.00 33.41 O ATOM 0 H ASP A 126 11.796 20.494 -21.114 1.00 1.00 H new ATOM 0 HA ASP A 126 10.788 19.656 -23.577 1.00 34.01 H new ATOM 0 HB2 ASP A 126 11.314 22.030 -22.510 1.00 44.13 H new ATOM 0 HB3 ASP A 126 12.850 21.844 -23.333 1.00 44.13 H new ATOM 1948 N VAL A 127 14.062 19.382 -23.282 1.00 51.53 N ATOM 1949 CA VAL A 127 15.245 18.771 -23.875 1.00 61.41 C ATOM 1950 C VAL A 127 15.194 17.251 -23.761 1.00 54.21 C ATOM 1951 O VAL A 127 15.217 16.542 -24.767 1.00 43.15 O ATOM 1952 CB VAL A 127 16.536 19.281 -23.207 1.00 14.20 C ATOM 1953 CG1 VAL A 127 17.752 18.573 -23.784 1.00 51.30 C ATOM 1954 CG2 VAL A 127 16.659 20.789 -23.370 1.00 33.44 C ATOM 0 H VAL A 127 14.227 19.834 -22.383 1.00 51.53 H new ATOM 0 HA VAL A 127 15.253 19.054 -24.928 1.00 61.41 H new ATOM 0 HB VAL A 127 16.487 19.056 -22.142 1.00 14.20 H new ATOM 0 HG11 VAL A 127 18.654 18.947 -23.300 1.00 51.30 H new ATOM 0 HG12 VAL A 127 17.665 17.500 -23.611 1.00 51.30 H new ATOM 0 HG13 VAL A 127 17.810 18.764 -24.856 1.00 51.30 H new ATOM 0 HG21 VAL A 127 17.576 21.133 -22.892 1.00 33.44 H new ATOM 0 HG22 VAL A 127 16.686 21.039 -24.431 1.00 33.44 H new ATOM 0 HG23 VAL A 127 15.803 21.276 -22.904 1.00 33.44 H new ATOM 1964 N ILE A 128 15.123 16.758 -22.529 1.00 73.03 N ATOM 1965 CA ILE A 128 15.066 15.322 -22.284 1.00 1.30 C ATOM 1966 C ILE A 128 13.956 14.669 -23.100 1.00 33.55 C ATOM 1967 O ILE A 128 14.028 13.484 -23.429 1.00 1.52 O ATOM 1968 CB ILE A 128 14.841 15.015 -20.792 1.00 31.42 C ATOM 1969 CG1 ILE A 128 15.339 13.607 -20.458 1.00 63.01 C ATOM 1970 CG2 ILE A 128 13.368 15.159 -20.438 1.00 24.14 C ATOM 1971 CD1 ILE A 128 15.869 13.472 -19.048 1.00 0.13 C ATOM 0 H ILE A 128 15.104 17.331 -21.686 1.00 73.03 H new ATOM 0 HA ILE A 128 16.028 14.910 -22.590 1.00 1.30 H new ATOM 0 HB ILE A 128 15.409 15.732 -20.199 1.00 31.42 H new ATOM 0 HG12 ILE A 128 14.523 12.899 -20.600 1.00 63.01 H new ATOM 0 HG13 ILE A 128 16.125 13.332 -21.161 1.00 63.01 H new ATOM 0 HG21 ILE A 128 13.225 14.939 -19.380 1.00 24.14 H new ATOM 0 HG22 ILE A 128 13.042 16.179 -20.644 1.00 24.14 H new ATOM 0 HG23 ILE A 128 12.780 14.463 -21.036 1.00 24.14 H new ATOM 0 HD11 ILE A 128 16.204 12.448 -18.882 1.00 0.13 H new ATOM 0 HD12 ILE A 128 16.706 14.155 -18.907 1.00 0.13 H new ATOM 0 HD13 ILE A 128 15.079 13.715 -18.337 1.00 0.13 H new ATOM 1983 N ASP A 129 12.930 15.448 -23.424 1.00 1.14 N ATOM 1984 CA ASP A 129 11.805 14.946 -24.204 1.00 11.22 C ATOM 1985 C ASP A 129 12.282 14.352 -25.526 1.00 11.54 C ATOM 1986 O ASP A 129 11.844 13.274 -25.926 1.00 11.31 O ATOM 1987 CB ASP A 129 10.799 16.068 -24.468 1.00 20.33 C ATOM 1988 CG ASP A 129 9.628 16.034 -23.505 1.00 61.54 C ATOM 1989 OD1 ASP A 129 9.759 15.408 -22.432 1.00 64.45 O ATOM 1990 OD2 ASP A 129 8.581 16.633 -23.825 1.00 14.43 O ATOM 0 H ASP A 129 12.854 16.430 -23.158 1.00 1.14 H new ATOM 0 HA ASP A 129 11.318 14.159 -23.628 1.00 11.22 H new ATOM 0 HB2 ASP A 129 11.304 17.031 -24.388 1.00 20.33 H new ATOM 0 HB3 ASP A 129 10.428 15.987 -25.490 1.00 20.33 H new ATOM 1995 N GLN A 130 13.180 15.064 -26.198 1.00 45.32 N ATOM 1996 CA GLN A 130 13.715 14.608 -27.476 1.00 30.13 C ATOM 1997 C GLN A 130 14.376 13.241 -27.332 1.00 74.23 C ATOM 1998 O GLN A 130 14.487 12.490 -28.301 1.00 5.11 O ATOM 1999 CB GLN A 130 14.724 15.620 -28.021 1.00 53.24 C ATOM 2000 CG GLN A 130 14.306 16.244 -29.343 1.00 75.43 C ATOM 2001 CD GLN A 130 14.190 17.753 -29.266 1.00 3.20 C ATOM 2002 OE1 GLN A 130 15.144 18.476 -29.556 1.00 62.21 O ATOM 2003 NE2 GLN A 130 13.018 18.238 -28.873 1.00 43.54 N ATOM 0 H GLN A 130 13.553 15.958 -25.879 1.00 45.32 H new ATOM 0 HA GLN A 130 12.886 14.519 -28.178 1.00 30.13 H new ATOM 0 HB2 GLN A 130 14.867 16.411 -27.285 1.00 53.24 H new ATOM 0 HB3 GLN A 130 15.687 15.127 -28.150 1.00 53.24 H new ATOM 0 HG2 GLN A 130 15.032 15.978 -30.111 1.00 75.43 H new ATOM 0 HG3 GLN A 130 13.348 15.825 -29.651 1.00 75.43 H new ATOM 0 HE21 GLN A 130 12.254 17.602 -28.642 1.00 43.54 H new ATOM 0 HE22 GLN A 130 12.881 19.246 -28.802 1.00 43.54 H new ATOM 2012 N ALA A 131 14.812 12.924 -26.117 1.00 51.54 N ATOM 2013 CA ALA A 131 15.460 11.647 -25.847 1.00 51.21 C ATOM 2014 C ALA A 131 14.451 10.504 -25.869 1.00 52.11 C ATOM 2015 O ALA A 131 14.581 9.564 -26.653 1.00 31.20 O ATOM 2016 CB ALA A 131 16.179 11.693 -24.507 1.00 12.31 C ATOM 0 H ALA A 131 14.728 13.534 -25.304 1.00 51.54 H new ATOM 0 HA ALA A 131 16.192 11.466 -26.634 1.00 51.21 H new ATOM 0 HB1 ALA A 131 16.658 10.733 -24.318 1.00 12.31 H new ATOM 0 HB2 ALA A 131 16.935 12.478 -24.526 1.00 12.31 H new ATOM 0 HB3 ALA A 131 15.460 11.901 -23.715 1.00 12.31 H new ATOM 2022 N ARG A 132 13.446 10.591 -25.004 1.00 11.23 N ATOM 2023 CA ARG A 132 12.416 9.563 -24.923 1.00 72.21 C ATOM 2024 C ARG A 132 11.736 9.367 -26.275 1.00 15.41 C ATOM 2025 O ARG A 132 11.478 8.239 -26.695 1.00 61.51 O ATOM 2026 CB ARG A 132 11.375 9.935 -23.866 1.00 0.25 C ATOM 2027 CG ARG A 132 10.810 11.336 -24.034 1.00 1.22 C ATOM 2028 CD ARG A 132 9.811 11.669 -22.937 1.00 54.22 C ATOM 2029 NE ARG A 132 8.679 12.441 -23.444 1.00 20.00 N ATOM 2030 CZ ARG A 132 7.762 11.946 -24.268 1.00 1.21 C ATOM 2031 NH1 ARG A 132 7.843 10.687 -24.676 1.00 13.14 N ATOM 2032 NH2 ARG A 132 6.762 12.711 -24.685 1.00 55.24 N ATOM 0 H ARG A 132 13.323 11.363 -24.349 1.00 11.23 H new ATOM 0 HA ARG A 132 12.895 8.627 -24.637 1.00 72.21 H new ATOM 0 HB2 ARG A 132 10.557 9.216 -23.905 1.00 0.25 H new ATOM 0 HB3 ARG A 132 11.827 9.851 -22.878 1.00 0.25 H new ATOM 0 HG2 ARG A 132 11.623 12.062 -24.020 1.00 1.22 H new ATOM 0 HG3 ARG A 132 10.325 11.420 -25.007 1.00 1.22 H new ATOM 0 HD2 ARG A 132 9.447 10.746 -22.485 1.00 54.22 H new ATOM 0 HD3 ARG A 132 10.311 12.233 -22.150 1.00 54.22 H new ATOM 0 HE ARG A 132 8.588 13.413 -23.149 1.00 20.00 H new ATOM 0 HH11 ARG A 132 8.611 10.096 -24.357 1.00 13.14 H new ATOM 0 HH12 ARG A 132 7.138 10.310 -25.309 1.00 13.14 H new ATOM 0 HH21 ARG A 132 6.697 13.680 -24.373 1.00 55.24 H new ATOM 0 HH22 ARG A 132 6.058 12.330 -25.318 1.00 55.24 H new ATOM 2046 N LEU A 133 11.446 10.474 -26.951 1.00 65.31 N ATOM 2047 CA LEU A 133 10.795 10.425 -28.256 1.00 24.13 C ATOM 2048 C LEU A 133 11.705 9.776 -29.294 1.00 51.02 C ATOM 2049 O LEU A 133 11.260 8.961 -30.102 1.00 61.35 O ATOM 2050 CB LEU A 133 10.410 11.834 -28.708 1.00 52.33 C ATOM 2051 CG LEU A 133 9.061 12.354 -28.209 1.00 60.14 C ATOM 2052 CD1 LEU A 133 9.115 13.858 -27.993 1.00 43.23 C ATOM 2053 CD2 LEU A 133 7.955 11.994 -29.190 1.00 71.34 C ATOM 0 H LEU A 133 11.651 11.416 -26.617 1.00 65.31 H new ATOM 0 HA LEU A 133 9.893 9.821 -28.163 1.00 24.13 H new ATOM 0 HB2 LEU A 133 11.187 12.524 -28.379 1.00 52.33 H new ATOM 0 HB3 LEU A 133 10.405 11.856 -29.798 1.00 52.33 H new ATOM 0 HG LEU A 133 8.841 11.878 -27.253 1.00 60.14 H new ATOM 0 HD11 LEU A 133 8.146 14.210 -27.638 1.00 43.23 H new ATOM 0 HD12 LEU A 133 9.880 14.092 -27.252 1.00 43.23 H new ATOM 0 HD13 LEU A 133 9.358 14.352 -28.934 1.00 43.23 H new ATOM 0 HD21 LEU A 133 7.002 12.372 -28.819 1.00 71.34 H new ATOM 0 HD22 LEU A 133 8.170 12.441 -30.160 1.00 71.34 H new ATOM 0 HD23 LEU A 133 7.900 10.910 -29.294 1.00 71.34 H new ATOM 2065 N LYS A 134 12.982 10.142 -29.266 1.00 20.45 N ATOM 2066 CA LYS A 134 13.957 9.593 -30.201 1.00 55.44 C ATOM 2067 C LYS A 134 13.918 8.069 -30.196 1.00 21.42 C ATOM 2068 O LYS A 134 14.078 7.431 -31.236 1.00 61.21 O ATOM 2069 CB LYS A 134 15.364 10.080 -29.848 1.00 13.03 C ATOM 2070 CG LYS A 134 15.859 11.206 -30.738 1.00 4.41 C ATOM 2071 CD LYS A 134 17.354 11.102 -30.989 1.00 5.24 C ATOM 2072 CE LYS A 134 17.917 12.399 -31.550 1.00 2.14 C ATOM 2073 NZ LYS A 134 18.539 12.201 -32.888 1.00 61.31 N ATOM 0 H LYS A 134 13.366 10.817 -28.605 1.00 20.45 H new ATOM 0 HA LYS A 134 13.700 9.941 -31.201 1.00 55.44 H new ATOM 0 HB2 LYS A 134 15.373 10.417 -28.811 1.00 13.03 H new ATOM 0 HB3 LYS A 134 16.057 9.242 -29.917 1.00 13.03 H new ATOM 0 HG2 LYS A 134 15.327 11.180 -31.689 1.00 4.41 H new ATOM 0 HG3 LYS A 134 15.633 12.165 -30.272 1.00 4.41 H new ATOM 0 HD2 LYS A 134 17.864 10.856 -30.058 1.00 5.24 H new ATOM 0 HD3 LYS A 134 17.551 10.287 -31.686 1.00 5.24 H new ATOM 0 HE2 LYS A 134 17.119 13.138 -31.626 1.00 2.14 H new ATOM 0 HE3 LYS A 134 18.659 12.801 -30.860 1.00 2.14 H new ATOM 0 HZ1 LYS A 134 18.911 13.108 -33.236 1.00 61.31 H new ATOM 0 HZ2 LYS A 134 19.317 11.515 -32.811 1.00 61.31 H new ATOM 0 HZ3 LYS A 134 17.825 11.842 -33.553 1.00 61.31 H new ATOM 2087 N MET A 135 13.704 7.491 -29.018 1.00 73.23 N ATOM 2088 CA MET A 135 13.642 6.040 -28.879 1.00 54.52 C ATOM 2089 C MET A 135 12.300 5.504 -29.369 1.00 43.33 C ATOM 2090 O MET A 135 12.250 4.584 -30.186 1.00 45.43 O ATOM 2091 CB MET A 135 13.863 5.637 -27.420 1.00 61.22 C ATOM 2092 CG MET A 135 15.138 6.206 -26.819 1.00 12.21 C ATOM 2093 SD MET A 135 15.632 5.357 -25.307 1.00 0.41 S ATOM 2094 CE MET A 135 14.140 5.512 -24.329 1.00 34.24 C ATOM 0 H MET A 135 13.571 8.005 -28.147 1.00 73.23 H new ATOM 0 HA MET A 135 14.432 5.607 -29.492 1.00 54.52 H new ATOM 0 HB2 MET A 135 13.011 5.970 -26.827 1.00 61.22 H new ATOM 0 HB3 MET A 135 13.893 4.550 -27.353 1.00 61.22 H new ATOM 0 HG2 MET A 135 15.943 6.135 -27.550 1.00 12.21 H new ATOM 0 HG3 MET A 135 14.993 7.265 -26.606 1.00 12.21 H new ATOM 0 HE1 MET A 135 14.396 5.492 -23.270 1.00 34.24 H new ATOM 0 HE2 MET A 135 13.646 6.454 -24.566 1.00 34.24 H new ATOM 0 HE3 MET A 135 13.469 4.684 -24.556 1.00 34.24 H new ATOM 2104 N ILE A 136 11.216 6.084 -28.865 1.00 44.53 N ATOM 2105 CA ILE A 136 9.876 5.665 -29.253 1.00 75.31 C ATOM 2106 C ILE A 136 9.691 5.740 -30.765 1.00 5.40 C ATOM 2107 O ILE A 136 9.424 4.733 -31.419 1.00 65.44 O ATOM 2108 CB ILE A 136 8.797 6.527 -28.572 1.00 55.21 C ATOM 2109 CG1 ILE A 136 8.933 6.446 -27.050 1.00 43.03 C ATOM 2110 CG2 ILE A 136 7.409 6.082 -29.009 1.00 51.11 C ATOM 2111 CD1 ILE A 136 8.229 7.568 -26.320 1.00 34.53 C ATOM 0 H ILE A 136 11.240 6.846 -28.187 1.00 44.53 H new ATOM 0 HA ILE A 136 9.763 4.631 -28.927 1.00 75.31 H new ATOM 0 HB ILE A 136 8.937 7.564 -28.876 1.00 55.21 H new ATOM 0 HG12 ILE A 136 8.531 5.492 -26.708 1.00 43.03 H new ATOM 0 HG13 ILE A 136 9.991 6.459 -26.787 1.00 43.03 H new ATOM 0 HG21 ILE A 136 6.657 6.701 -28.519 1.00 51.11 H new ATOM 0 HG22 ILE A 136 7.317 6.187 -30.090 1.00 51.11 H new ATOM 0 HG23 ILE A 136 7.257 5.039 -28.731 1.00 51.11 H new ATOM 0 HD11 ILE A 136 8.368 7.446 -25.246 1.00 34.53 H new ATOM 0 HD12 ILE A 136 8.647 8.525 -26.634 1.00 34.53 H new ATOM 0 HD13 ILE A 136 7.165 7.543 -26.554 1.00 34.53 H new ATOM 2123 N SER A 137 9.838 6.942 -31.314 1.00 12.10 N ATOM 2124 CA SER A 137 9.686 7.150 -32.749 1.00 51.42 C ATOM 2125 C SER A 137 10.921 6.666 -33.502 1.00 42.12 C ATOM 2126 O SER A 137 11.645 7.460 -34.103 1.00 73.54 O ATOM 2127 CB SER A 137 9.440 8.631 -33.048 1.00 24.41 C ATOM 2128 OG SER A 137 8.533 9.195 -32.117 1.00 41.11 O ATOM 0 H SER A 137 10.062 7.786 -30.787 1.00 12.10 H new ATOM 0 HA SER A 137 8.826 6.571 -33.086 1.00 51.42 H new ATOM 0 HB2 SER A 137 10.385 9.174 -33.015 1.00 24.41 H new ATOM 0 HB3 SER A 137 9.045 8.741 -34.058 1.00 24.41 H new ATOM 0 HG SER A 137 8.394 10.142 -32.328 1.00 41.11 H new ATOM 2228 N ALA A 170 25.362 22.679 -1.951 1.00 24.04 N ATOM 2229 CA ALA A 170 24.095 23.088 -2.543 1.00 0.20 C ATOM 2230 C ALA A 170 22.944 22.902 -1.560 1.00 60.22 C ATOM 2231 O ALA A 170 22.242 23.855 -1.221 1.00 4.33 O ATOM 2232 CB ALA A 170 23.833 22.305 -3.821 1.00 15.31 C ATOM 0 HA ALA A 170 24.161 24.148 -2.787 1.00 0.20 H new ATOM 0 HB1 ALA A 170 22.883 22.621 -4.253 1.00 15.31 H new ATOM 0 HB2 ALA A 170 24.636 22.493 -4.534 1.00 15.31 H new ATOM 0 HB3 ALA A 170 23.792 21.240 -3.593 1.00 15.31 H new ATOM 2238 N THR A 171 22.754 21.667 -1.106 1.00 31.21 N ATOM 2239 CA THR A 171 21.687 21.355 -0.164 1.00 32.04 C ATOM 2240 C THR A 171 21.793 22.214 1.091 1.00 14.31 C ATOM 2241 O THR A 171 20.794 22.474 1.763 1.00 43.10 O ATOM 2242 CB THR A 171 21.712 19.869 0.242 1.00 11.20 C ATOM 2243 OG1 THR A 171 23.020 19.508 0.698 1.00 63.22 O ATOM 2244 CG2 THR A 171 21.314 18.982 -0.928 1.00 11.10 C ATOM 0 H THR A 171 23.326 20.867 -1.376 1.00 31.21 H new ATOM 0 HA THR A 171 20.746 21.570 -0.670 1.00 32.04 H new ATOM 0 HB THR A 171 20.994 19.723 1.049 1.00 11.20 H new ATOM 0 HG1 THR A 171 23.027 18.563 0.956 1.00 63.22 H new ATOM 0 HG21 THR A 171 21.339 17.937 -0.618 1.00 11.10 H new ATOM 0 HG22 THR A 171 20.306 19.240 -1.254 1.00 11.10 H new ATOM 0 HG23 THR A 171 22.011 19.132 -1.752 1.00 11.10 H new ATOM 2252 N ARG A 172 23.008 22.653 1.401 1.00 1.51 N ATOM 2253 CA ARG A 172 23.244 23.484 2.576 1.00 32.31 C ATOM 2254 C ARG A 172 22.484 24.803 2.471 1.00 60.20 C ATOM 2255 O ARG A 172 21.729 25.168 3.371 1.00 10.03 O ATOM 2256 CB ARG A 172 24.740 23.756 2.742 1.00 11.44 C ATOM 2257 CG ARG A 172 25.377 22.983 3.885 1.00 35.24 C ATOM 2258 CD ARG A 172 25.446 23.819 5.154 1.00 54.04 C ATOM 2259 NE ARG A 172 26.464 23.329 6.078 1.00 65.42 N ATOM 2260 CZ ARG A 172 27.768 23.509 5.898 1.00 41.32 C ATOM 2261 NH1 ARG A 172 28.209 24.166 4.834 1.00 40.12 N ATOM 2262 NH2 ARG A 172 28.634 23.033 6.784 1.00 53.04 N ATOM 0 H ARG A 172 23.845 22.447 0.855 1.00 1.51 H new ATOM 0 HA ARG A 172 22.881 22.945 3.451 1.00 32.31 H new ATOM 0 HB2 ARG A 172 25.252 23.503 1.814 1.00 11.44 H new ATOM 0 HB3 ARG A 172 24.890 24.823 2.908 1.00 11.44 H new ATOM 0 HG2 ARG A 172 24.803 22.076 4.076 1.00 35.24 H new ATOM 0 HG3 ARG A 172 26.381 22.671 3.599 1.00 35.24 H new ATOM 0 HD2 ARG A 172 25.661 24.855 4.894 1.00 54.04 H new ATOM 0 HD3 ARG A 172 24.474 23.810 5.647 1.00 54.04 H new ATOM 0 HE ARG A 172 26.158 22.820 6.907 1.00 65.42 H new ATOM 0 HH11 ARG A 172 27.547 24.535 4.151 1.00 40.12 H new ATOM 0 HH12 ARG A 172 29.211 24.303 4.698 1.00 40.12 H new ATOM 0 HH21 ARG A 172 28.299 22.528 7.604 1.00 53.04 H new ATOM 0 HH22 ARG A 172 29.635 23.172 6.644 1.00 53.04 H new ATOM 2276 N GLU A 173 22.691 25.512 1.366 1.00 54.50 N ATOM 2277 CA GLU A 173 22.026 26.791 1.145 1.00 51.32 C ATOM 2278 C GLU A 173 20.509 26.631 1.188 1.00 70.31 C ATOM 2279 O GLU A 173 19.801 27.465 1.753 1.00 34.24 O ATOM 2280 CB GLU A 173 22.449 27.385 -0.200 1.00 52.34 C ATOM 2281 CG GLU A 173 23.748 28.171 -0.137 1.00 61.55 C ATOM 2282 CD GLU A 173 23.684 29.328 0.840 1.00 33.22 C ATOM 2283 OE1 GLU A 173 23.292 30.437 0.420 1.00 3.15 O ATOM 2284 OE2 GLU A 173 24.025 29.125 2.024 1.00 35.31 O ATOM 0 H GLU A 173 23.313 25.223 0.611 1.00 54.50 H new ATOM 0 HA GLU A 173 22.325 27.469 1.944 1.00 51.32 H new ATOM 0 HB2 GLU A 173 22.557 26.579 -0.926 1.00 52.34 H new ATOM 0 HB3 GLU A 173 21.656 28.038 -0.565 1.00 52.34 H new ATOM 0 HG2 GLU A 173 24.559 27.502 0.151 1.00 61.55 H new ATOM 0 HG3 GLU A 173 23.986 28.552 -1.130 1.00 61.55 H new ATOM 2291 N LEU A 174 20.017 25.553 0.586 1.00 11.51 N ATOM 2292 CA LEU A 174 18.584 25.282 0.554 1.00 12.35 C ATOM 2293 C LEU A 174 17.993 25.311 1.960 1.00 0.04 C ATOM 2294 O LEU A 174 16.974 25.957 2.203 1.00 13.41 O ATOM 2295 CB LEU A 174 18.316 23.924 -0.096 1.00 21.11 C ATOM 2296 CG LEU A 174 18.867 23.736 -1.510 1.00 0.51 C ATOM 2297 CD1 LEU A 174 18.626 22.315 -1.993 1.00 30.44 C ATOM 2298 CD2 LEU A 174 18.237 24.740 -2.465 1.00 62.10 C ATOM 0 H LEU A 174 20.589 24.853 0.114 1.00 11.51 H new ATOM 0 HA LEU A 174 18.105 26.062 -0.038 1.00 12.35 H new ATOM 0 HB2 LEU A 174 18.738 23.148 0.543 1.00 21.11 H new ATOM 0 HB3 LEU A 174 17.238 23.763 -0.123 1.00 21.11 H new ATOM 0 HG LEU A 174 19.943 23.912 -1.486 1.00 0.51 H new ATOM 0 HD11 LEU A 174 19.025 22.201 -3.001 1.00 30.44 H new ATOM 0 HD12 LEU A 174 19.124 21.614 -1.324 1.00 30.44 H new ATOM 0 HD13 LEU A 174 17.555 22.110 -2.001 1.00 30.44 H new ATOM 0 HD21 LEU A 174 18.640 24.592 -3.467 1.00 62.10 H new ATOM 0 HD22 LEU A 174 17.157 24.596 -2.484 1.00 62.10 H new ATOM 0 HD23 LEU A 174 18.462 25.752 -2.129 1.00 62.10 H new ATOM 2310 N ASP A 175 18.641 24.608 2.883 1.00 12.51 N ATOM 2311 CA ASP A 175 18.182 24.556 4.266 1.00 33.12 C ATOM 2312 C ASP A 175 18.378 25.903 4.955 1.00 34.34 C ATOM 2313 O ASP A 175 17.487 26.389 5.651 1.00 0.41 O ATOM 2314 CB ASP A 175 18.929 23.463 5.033 1.00 54.32 C ATOM 2315 CG ASP A 175 18.346 23.222 6.412 1.00 43.14 C ATOM 2316 OD1 ASP A 175 17.281 23.799 6.715 1.00 34.41 O ATOM 2317 OD2 ASP A 175 18.956 22.456 7.187 1.00 54.21 O ATOM 0 H ASP A 175 19.485 24.067 2.698 1.00 12.51 H new ATOM 0 HA ASP A 175 17.117 24.323 4.261 1.00 33.12 H new ATOM 0 HB2 ASP A 175 18.897 22.536 4.461 1.00 54.32 H new ATOM 0 HB3 ASP A 175 19.978 23.743 5.129 1.00 54.32 H new ATOM 2322 N GLU A 176 19.549 26.498 4.757 1.00 5.32 N ATOM 2323 CA GLU A 176 19.862 27.788 5.362 1.00 70.03 C ATOM 2324 C GLU A 176 18.812 28.831 4.991 1.00 12.32 C ATOM 2325 O GLU A 176 18.169 29.419 5.863 1.00 61.44 O ATOM 2326 CB GLU A 176 21.247 28.262 4.917 1.00 1.42 C ATOM 2327 CG GLU A 176 22.306 28.148 6.000 1.00 4.05 C ATOM 2328 CD GLU A 176 23.715 28.139 5.440 1.00 4.01 C ATOM 2329 OE1 GLU A 176 23.879 27.784 4.254 1.00 40.11 O ATOM 2330 OE2 GLU A 176 24.654 28.486 6.187 1.00 52.30 O ATOM 0 H GLU A 176 20.297 26.108 4.183 1.00 5.32 H new ATOM 0 HA GLU A 176 19.859 27.663 6.445 1.00 70.03 H new ATOM 0 HB2 GLU A 176 21.561 27.679 4.051 1.00 1.42 H new ATOM 0 HB3 GLU A 176 21.180 29.301 4.594 1.00 1.42 H new ATOM 0 HG2 GLU A 176 22.201 28.981 6.695 1.00 4.05 H new ATOM 0 HG3 GLU A 176 22.140 27.234 6.570 1.00 4.05 H new ATOM 2337 N LEU A 177 18.643 29.057 3.693 1.00 5.31 N ATOM 2338 CA LEU A 177 17.672 30.030 3.205 1.00 11.15 C ATOM 2339 C LEU A 177 16.284 29.742 3.768 1.00 13.21 C ATOM 2340 O LEU A 177 15.538 30.661 4.107 1.00 21.53 O ATOM 2341 CB LEU A 177 17.628 30.015 1.677 1.00 64.55 C ATOM 2342 CG LEU A 177 18.462 31.085 0.970 1.00 32.54 C ATOM 2343 CD1 LEU A 177 18.012 32.475 1.391 1.00 4.12 C ATOM 2344 CD2 LEU A 177 19.942 30.888 1.265 1.00 12.40 C ATOM 0 H LEU A 177 19.166 28.579 2.959 1.00 5.31 H new ATOM 0 HA LEU A 177 17.984 31.018 3.543 1.00 11.15 H new ATOM 0 HB2 LEU A 177 17.963 29.036 1.334 1.00 64.55 H new ATOM 0 HB3 LEU A 177 16.590 30.125 1.362 1.00 64.55 H new ATOM 0 HG LEU A 177 18.311 30.987 -0.105 1.00 32.54 H new ATOM 0 HD11 LEU A 177 18.616 33.224 0.878 1.00 4.12 H new ATOM 0 HD12 LEU A 177 16.963 32.613 1.128 1.00 4.12 H new ATOM 0 HD13 LEU A 177 18.134 32.586 2.468 1.00 4.12 H new ATOM 0 HD21 LEU A 177 20.520 31.658 0.754 1.00 12.40 H new ATOM 0 HD22 LEU A 177 20.112 30.960 2.339 1.00 12.40 H new ATOM 0 HD23 LEU A 177 20.255 29.905 0.913 1.00 12.40 H new ATOM 2356 N MET A 178 15.945 28.461 3.866 1.00 74.11 N ATOM 2357 CA MET A 178 14.647 28.052 4.391 1.00 51.10 C ATOM 2358 C MET A 178 14.379 28.703 5.744 1.00 34.23 C ATOM 2359 O MET A 178 13.334 29.319 5.951 1.00 51.44 O ATOM 2360 CB MET A 178 14.583 26.529 4.522 1.00 13.35 C ATOM 2361 CG MET A 178 13.165 25.984 4.591 1.00 3.53 C ATOM 2362 SD MET A 178 13.119 24.194 4.801 1.00 53.22 S ATOM 2363 CE MET A 178 12.063 24.049 6.240 1.00 11.03 C ATOM 0 H MET A 178 16.551 27.688 3.589 1.00 74.11 H new ATOM 0 HA MET A 178 13.879 28.381 3.691 1.00 51.10 H new ATOM 0 HB2 MET A 178 15.096 26.078 3.673 1.00 13.35 H new ATOM 0 HB3 MET A 178 15.124 26.227 5.419 1.00 13.35 H new ATOM 0 HG2 MET A 178 12.638 26.457 5.420 1.00 3.53 H new ATOM 0 HG3 MET A 178 12.632 26.253 3.679 1.00 3.53 H new ATOM 0 HE1 MET A 178 11.938 22.997 6.495 1.00 11.03 H new ATOM 0 HE2 MET A 178 12.518 24.575 7.080 1.00 11.03 H new ATOM 0 HE3 MET A 178 11.089 24.487 6.022 1.00 11.03 H new ATOM 2373 N ALA A 179 15.328 28.561 6.663 1.00 64.31 N ATOM 2374 CA ALA A 179 15.195 29.136 7.995 1.00 13.24 C ATOM 2375 C ALA A 179 15.224 30.660 7.941 1.00 64.21 C ATOM 2376 O ALA A 179 14.456 31.330 8.630 1.00 11.22 O ATOM 2377 CB ALA A 179 16.296 28.617 8.907 1.00 4.25 C ATOM 0 H ALA A 179 16.198 28.052 6.509 1.00 64.31 H new ATOM 0 HA ALA A 179 14.230 28.831 8.400 1.00 13.24 H new ATOM 0 HB1 ALA A 179 16.184 29.055 9.899 1.00 4.25 H new ATOM 0 HB2 ALA A 179 16.227 27.532 8.980 1.00 4.25 H new ATOM 0 HB3 ALA A 179 17.268 28.892 8.497 1.00 4.25 H new ATOM 2383 N SER A 180 16.117 31.201 7.118 1.00 72.44 N ATOM 2384 CA SER A 180 16.250 32.646 6.977 1.00 75.02 C ATOM 2385 C SER A 180 14.932 33.271 6.529 1.00 12.43 C ATOM 2386 O SER A 180 14.589 34.382 6.936 1.00 54.31 O ATOM 2387 CB SER A 180 17.354 32.983 5.973 1.00 72.41 C ATOM 2388 OG SER A 180 18.623 32.578 6.456 1.00 30.20 O ATOM 0 H SER A 180 16.759 30.660 6.539 1.00 72.44 H new ATOM 0 HA SER A 180 16.516 33.058 7.950 1.00 75.02 H new ATOM 0 HB2 SER A 180 17.149 32.490 5.023 1.00 72.41 H new ATOM 0 HB3 SER A 180 17.360 34.056 5.781 1.00 72.41 H new ATOM 0 HG SER A 180 18.717 31.608 6.356 1.00 30.20 H new ATOM 2394 N LEU A 181 14.197 32.551 5.689 1.00 24.54 N ATOM 2395 CA LEU A 181 12.916 33.033 5.185 1.00 3.22 C ATOM 2396 C LEU A 181 11.785 32.677 6.144 1.00 12.51 C ATOM 2397 O LEU A 181 10.765 33.365 6.200 1.00 44.25 O ATOM 2398 CB LEU A 181 12.634 32.441 3.803 1.00 1.32 C ATOM 2399 CG LEU A 181 13.394 33.071 2.635 1.00 10.13 C ATOM 2400 CD1 LEU A 181 13.197 32.254 1.368 1.00 41.12 C ATOM 2401 CD2 LEU A 181 12.945 34.509 2.420 1.00 11.13 C ATOM 0 H LEU A 181 14.467 31.630 5.342 1.00 24.54 H new ATOM 0 HA LEU A 181 12.970 34.119 5.104 1.00 3.22 H new ATOM 0 HB2 LEU A 181 12.868 31.377 3.831 1.00 1.32 H new ATOM 0 HB3 LEU A 181 11.566 32.527 3.604 1.00 1.32 H new ATOM 0 HG LEU A 181 14.457 33.076 2.878 1.00 10.13 H new ATOM 0 HD11 LEU A 181 13.745 32.717 0.547 1.00 41.12 H new ATOM 0 HD12 LEU A 181 13.568 31.242 1.526 1.00 41.12 H new ATOM 0 HD13 LEU A 181 12.136 32.217 1.120 1.00 41.12 H new ATOM 0 HD21 LEU A 181 13.496 34.941 1.585 1.00 11.13 H new ATOM 0 HD22 LEU A 181 11.878 34.528 2.199 1.00 11.13 H new ATOM 0 HD23 LEU A 181 13.139 35.089 3.322 1.00 11.13 H new ATOM 2413 N SER A 182 11.973 31.600 6.899 1.00 33.13 N ATOM 2414 CA SER A 182 10.967 31.152 7.855 1.00 21.25 C ATOM 2415 C SER A 182 10.689 32.231 8.897 1.00 14.30 C ATOM 2416 O SER A 182 9.555 32.688 9.046 1.00 41.34 O ATOM 2417 CB SER A 182 11.427 29.867 8.547 1.00 71.33 C ATOM 2418 OG SER A 182 11.034 28.722 7.809 1.00 11.23 O ATOM 0 H SER A 182 12.812 31.021 6.868 1.00 33.13 H new ATOM 0 HA SER A 182 10.045 30.953 7.308 1.00 21.25 H new ATOM 0 HB2 SER A 182 12.511 29.878 8.658 1.00 71.33 H new ATOM 0 HB3 SER A 182 11.005 29.819 9.551 1.00 71.33 H new ATOM 0 HG SER A 182 11.644 28.595 7.053 1.00 11.23 H new ATOM 2424 N ASP A 183 11.731 32.634 9.616 1.00 72.15 N ATOM 2425 CA ASP A 183 11.600 33.660 10.643 1.00 4.41 C ATOM 2426 C ASP A 183 11.771 35.053 10.045 1.00 53.24 C ATOM 2427 O ASP A 183 12.596 35.842 10.508 1.00 14.00 O ATOM 2428 CB ASP A 183 12.632 33.438 11.750 1.00 31.13 C ATOM 2429 CG ASP A 183 12.435 34.379 12.922 1.00 3.14 C ATOM 2430 OD1 ASP A 183 11.434 34.218 13.650 1.00 14.33 O ATOM 2431 OD2 ASP A 183 13.283 35.277 13.111 1.00 14.13 O ATOM 0 H ASP A 183 12.676 32.265 9.506 1.00 72.15 H new ATOM 0 HA ASP A 183 10.599 33.587 11.069 1.00 4.41 H new ATOM 0 HB2 ASP A 183 12.569 32.408 12.100 1.00 31.13 H new ATOM 0 HB3 ASP A 183 13.633 33.575 11.342 1.00 31.13 H new