USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 662 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 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 93 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0241) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 17 LYS NZ :NH3+ -166:sc= 0.549 (180deg=0.436) USER MOD Single : A 24 MET CE :methyl 177:sc= 0 (180deg=-0.00826) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -107:sc= -0.39 (180deg=-1.53) USER MOD Single : A 29 ASN : amide:sc= 0.579 K(o=0.58,f=-0.023) USER MOD Single : A 31 TYR OH : rot 180:sc= 0.545 USER MOD Single : A 38 SER OG : rot 180:sc= -0.273 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 171:sc= -2.34! (180deg=-2.73!) USER MOD Single : A 52 HIS : no HD1:sc= -1.52 X(o=-1.5,f=-1.4) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 155:sc= 1.22 (180deg=1.03) USER MOD Single : A 65 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.49) USER MOD Single : A 70 SER OG : rot 35:sc= 0.12 USER MOD Single : A 76 GLN : amide:sc= -0.94 X(o=-0.94,f=-0.8) USER MOD Single : A 77 CYS SG : rot 16:sc= -0.829! USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 90:sc= 0.468 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 79 N PRO A 6 4.216 -5.579 9.149 1.00 30.14 N ATOM 80 CA PRO A 6 4.468 -5.716 10.584 1.00 74.01 C ATOM 81 C PRO A 6 3.218 -6.154 11.368 1.00 52.35 C ATOM 82 O PRO A 6 2.234 -5.414 11.458 1.00 25.53 O ATOM 83 CB PRO A 6 4.911 -4.296 11.007 1.00 12.34 C ATOM 84 CG PRO A 6 4.728 -3.417 9.797 1.00 62.11 C ATOM 85 CD PRO A 6 3.886 -4.192 8.815 1.00 73.33 C ATOM 0 HA PRO A 6 5.209 -6.488 10.794 1.00 74.01 H new ATOM 0 HB2 PRO A 6 4.313 -3.935 11.844 1.00 12.34 H new ATOM 0 HB3 PRO A 6 5.951 -4.295 11.335 1.00 12.34 H new ATOM 0 HG2 PRO A 6 4.240 -2.481 10.070 1.00 62.11 H new ATOM 0 HG3 PRO A 6 5.692 -3.158 9.359 1.00 62.11 H new ATOM 0 HD2 PRO A 6 2.823 -3.986 8.939 1.00 73.33 H new ATOM 0 HD3 PRO A 6 4.139 -3.951 7.783 1.00 73.33 H new ATOM 93 N ILE A 7 3.263 -7.355 11.938 1.00 15.15 N ATOM 94 CA ILE A 7 2.166 -7.862 12.760 1.00 5.22 C ATOM 95 C ILE A 7 2.172 -7.169 14.135 1.00 43.42 C ATOM 96 O ILE A 7 2.916 -7.551 15.038 1.00 5.04 O ATOM 97 CB ILE A 7 2.242 -9.408 12.945 1.00 34.12 C ATOM 98 CG1 ILE A 7 2.135 -10.148 11.591 1.00 21.44 C ATOM 99 CG2 ILE A 7 1.142 -9.887 13.892 1.00 11.04 C ATOM 100 CD1 ILE A 7 3.363 -10.033 10.708 1.00 14.24 C ATOM 0 H ILE A 7 4.050 -7.998 11.846 1.00 15.15 H new ATOM 0 HA ILE A 7 1.235 -7.636 12.239 1.00 5.22 H new ATOM 0 HB ILE A 7 3.214 -9.640 13.380 1.00 34.12 H new ATOM 0 HG12 ILE A 7 1.940 -11.203 11.783 1.00 21.44 H new ATOM 0 HG13 ILE A 7 1.275 -9.759 11.046 1.00 21.44 H new ATOM 0 HG21 ILE A 7 1.209 -10.968 14.010 1.00 11.04 H new ATOM 0 HG22 ILE A 7 1.264 -9.407 14.863 1.00 11.04 H new ATOM 0 HG23 ILE A 7 0.167 -9.627 13.479 1.00 11.04 H new ATOM 0 HD11 ILE A 7 3.197 -10.582 9.781 1.00 14.24 H new ATOM 0 HD12 ILE A 7 3.550 -8.984 10.480 1.00 14.24 H new ATOM 0 HD13 ILE A 7 4.225 -10.450 11.228 1.00 14.24 H new ATOM 112 N GLU A 8 1.361 -6.123 14.267 1.00 3.52 N ATOM 113 CA GLU A 8 1.324 -5.309 15.487 1.00 2.22 C ATOM 114 C GLU A 8 0.195 -5.762 16.428 1.00 12.21 C ATOM 115 O GLU A 8 -0.975 -5.425 16.226 1.00 24.45 O ATOM 116 CB GLU A 8 1.152 -3.829 15.109 1.00 41.35 C ATOM 117 CG GLU A 8 1.223 -2.865 16.289 1.00 2.13 C ATOM 118 CD GLU A 8 1.052 -1.417 15.861 1.00 44.14 C ATOM 119 OE1 GLU A 8 -0.105 -0.960 15.744 1.00 12.22 O ATOM 120 OE2 GLU A 8 2.073 -0.737 15.617 1.00 54.44 O ATOM 0 H GLU A 8 0.715 -5.814 13.541 1.00 3.52 H new ATOM 0 HA GLU A 8 2.265 -5.439 16.021 1.00 2.22 H new ATOM 0 HB2 GLU A 8 1.923 -3.559 14.388 1.00 41.35 H new ATOM 0 HB3 GLU A 8 0.191 -3.703 14.610 1.00 41.35 H new ATOM 0 HG2 GLU A 8 0.449 -3.122 17.012 1.00 2.13 H new ATOM 0 HG3 GLU A 8 2.182 -2.982 16.794 1.00 2.13 H new ATOM 127 N ILE A 9 0.549 -6.532 17.455 1.00 61.41 N ATOM 128 CA ILE A 9 -0.437 -7.082 18.392 1.00 31.21 C ATOM 129 C ILE A 9 -0.315 -6.453 19.791 1.00 14.04 C ATOM 130 O ILE A 9 0.710 -6.598 20.462 1.00 62.34 O ATOM 131 CB ILE A 9 -0.287 -8.620 18.514 1.00 54.41 C ATOM 132 CG1 ILE A 9 -0.433 -9.288 17.135 1.00 42.22 C ATOM 133 CG2 ILE A 9 -1.305 -9.188 19.503 1.00 54.34 C ATOM 134 CD1 ILE A 9 -0.280 -10.795 17.162 1.00 61.14 C ATOM 0 H ILE A 9 1.513 -6.792 17.662 1.00 61.41 H new ATOM 0 HA ILE A 9 -1.420 -6.840 17.987 1.00 31.21 H new ATOM 0 HB ILE A 9 0.711 -8.837 18.895 1.00 54.41 H new ATOM 0 HG12 ILE A 9 -1.411 -9.040 16.724 1.00 42.22 H new ATOM 0 HG13 ILE A 9 0.312 -8.869 16.459 1.00 42.22 H new ATOM 0 HG21 ILE A 9 -1.181 -10.269 19.572 1.00 54.34 H new ATOM 0 HG22 ILE A 9 -1.147 -8.741 20.485 1.00 54.34 H new ATOM 0 HG23 ILE A 9 -2.314 -8.960 19.158 1.00 54.34 H new ATOM 0 HD11 ILE A 9 -0.396 -11.191 16.153 1.00 61.14 H new ATOM 0 HD12 ILE A 9 0.708 -11.054 17.542 1.00 61.14 H new ATOM 0 HD13 ILE A 9 -1.042 -11.227 17.811 1.00 61.14 H new ATOM 146 N ALA A 10 -1.364 -5.745 20.214 1.00 40.33 N ATOM 147 CA ALA A 10 -1.430 -5.152 21.558 1.00 31.24 C ATOM 148 C ALA A 10 -0.247 -4.209 21.840 1.00 44.12 C ATOM 149 O ALA A 10 0.190 -4.071 22.983 1.00 54.02 O ATOM 150 CB ALA A 10 -1.502 -6.254 22.614 1.00 34.22 C ATOM 0 H ALA A 10 -2.189 -5.565 19.641 1.00 40.33 H new ATOM 0 HA ALA A 10 -2.336 -4.547 21.605 1.00 31.24 H new ATOM 0 HB1 ALA A 10 -1.551 -5.805 23.606 1.00 34.22 H new ATOM 0 HB2 ALA A 10 -2.392 -6.861 22.447 1.00 34.22 H new ATOM 0 HB3 ALA A 10 -0.615 -6.884 22.544 1.00 34.22 H new ATOM 156 N GLY A 11 0.254 -3.547 20.798 1.00 3.25 N ATOM 157 CA GLY A 11 1.390 -2.641 20.956 1.00 74.35 C ATOM 158 C GLY A 11 2.721 -3.265 20.542 1.00 35.33 C ATOM 159 O GLY A 11 3.707 -2.557 20.330 1.00 15.43 O ATOM 0 H GLY A 11 -0.104 -3.619 19.846 1.00 3.25 H new ATOM 0 HA2 GLY A 11 1.216 -1.744 20.361 1.00 74.35 H new ATOM 0 HA3 GLY A 11 1.453 -2.326 21.998 1.00 74.35 H new ATOM 163 N HIS A 12 2.755 -4.590 20.432 1.00 2.41 N ATOM 164 CA HIS A 12 3.966 -5.298 20.004 1.00 44.51 C ATOM 165 C HIS A 12 4.023 -5.402 18.472 1.00 43.34 C ATOM 166 O HIS A 12 3.313 -6.206 17.868 1.00 20.24 O ATOM 167 CB HIS A 12 4.019 -6.699 20.623 1.00 65.41 C ATOM 168 CG HIS A 12 4.119 -6.704 22.117 1.00 70.14 C ATOM 169 ND1 HIS A 12 5.307 -6.889 22.789 1.00 3.13 N ATOM 170 CD2 HIS A 12 3.170 -6.571 23.075 1.00 32.24 C ATOM 171 CE1 HIS A 12 5.087 -6.872 24.085 1.00 15.32 C ATOM 172 NE2 HIS A 12 3.801 -6.681 24.287 1.00 3.14 N ATOM 0 H HIS A 12 1.961 -5.198 20.632 1.00 2.41 H new ATOM 0 HA HIS A 12 4.828 -4.727 20.349 1.00 44.51 H new ATOM 0 HB2 HIS A 12 3.126 -7.249 20.328 1.00 65.41 H new ATOM 0 HB3 HIS A 12 4.874 -7.235 20.211 1.00 65.41 H new ATOM 0 HD2 HIS A 12 2.114 -6.409 22.914 1.00 32.24 H new ATOM 0 HE1 HIS A 12 5.835 -6.994 24.854 1.00 15.32 H new ATOM 0 HE2 HIS A 12 3.347 -6.624 25.198 1.00 3.14 H new ATOM 181 N GLU A 13 4.863 -4.577 17.852 1.00 44.33 N ATOM 182 CA GLU A 13 4.984 -4.539 16.388 1.00 53.01 C ATOM 183 C GLU A 13 6.067 -5.503 15.871 1.00 21.10 C ATOM 184 O GLU A 13 7.261 -5.190 15.888 1.00 33.41 O ATOM 185 CB GLU A 13 5.279 -3.104 15.916 1.00 43.44 C ATOM 186 CG GLU A 13 6.369 -2.399 16.720 1.00 32.40 C ATOM 187 CD GLU A 13 6.836 -1.102 16.080 1.00 13.40 C ATOM 188 OE1 GLU A 13 6.014 -0.172 15.927 1.00 61.33 O ATOM 189 OE2 GLU A 13 8.034 -1.006 15.734 1.00 71.45 O ATOM 0 H GLU A 13 5.474 -3.921 18.339 1.00 44.33 H new ATOM 0 HA GLU A 13 4.031 -4.868 15.973 1.00 53.01 H new ATOM 0 HB2 GLU A 13 5.575 -3.131 14.867 1.00 43.44 H new ATOM 0 HB3 GLU A 13 4.362 -2.517 15.974 1.00 43.44 H new ATOM 0 HG2 GLU A 13 5.995 -2.189 17.722 1.00 32.40 H new ATOM 0 HG3 GLU A 13 7.221 -3.070 16.832 1.00 32.40 H new ATOM 196 N PHE A 14 5.643 -6.676 15.411 1.00 62.14 N ATOM 197 CA PHE A 14 6.565 -7.669 14.843 1.00 13.22 C ATOM 198 C PHE A 14 6.707 -7.484 13.328 1.00 74.34 C ATOM 199 O PHE A 14 5.760 -7.700 12.579 1.00 32.15 O ATOM 200 CB PHE A 14 6.069 -9.088 15.142 1.00 61.12 C ATOM 201 CG PHE A 14 5.822 -9.331 16.605 1.00 11.52 C ATOM 202 CD1 PHE A 14 6.882 -9.543 17.473 1.00 53.05 C ATOM 203 CD2 PHE A 14 4.532 -9.336 17.114 1.00 3.42 C ATOM 204 CE1 PHE A 14 6.659 -9.754 18.819 1.00 25.23 C ATOM 205 CE2 PHE A 14 4.305 -9.550 18.458 1.00 62.23 C ATOM 206 CZ PHE A 14 5.369 -9.758 19.311 1.00 22.11 C ATOM 0 H PHE A 14 4.666 -6.968 15.418 1.00 62.14 H new ATOM 0 HA PHE A 14 7.541 -7.522 15.305 1.00 13.22 H new ATOM 0 HB2 PHE A 14 5.147 -9.268 14.589 1.00 61.12 H new ATOM 0 HB3 PHE A 14 6.804 -9.807 14.779 1.00 61.12 H new ATOM 0 HD1 PHE A 14 7.893 -9.543 17.092 1.00 53.05 H new ATOM 0 HD2 PHE A 14 3.696 -9.171 16.451 1.00 3.42 H new ATOM 0 HE1 PHE A 14 7.493 -9.916 19.486 1.00 25.23 H new ATOM 0 HE2 PHE A 14 3.295 -9.555 18.842 1.00 62.23 H new ATOM 0 HZ PHE A 14 5.193 -9.924 20.364 1.00 22.11 H new ATOM 216 N ALA A 15 7.902 -7.112 12.876 1.00 10.32 N ATOM 217 CA ALA A 15 8.153 -6.868 11.446 1.00 3.31 C ATOM 218 C ALA A 15 8.125 -8.163 10.606 1.00 55.12 C ATOM 219 O ALA A 15 8.400 -8.137 9.403 1.00 72.32 O ATOM 220 CB ALA A 15 9.488 -6.148 11.267 1.00 50.35 C ATOM 0 H ALA A 15 8.716 -6.971 13.474 1.00 10.32 H new ATOM 0 HA ALA A 15 7.343 -6.238 11.080 1.00 3.31 H new ATOM 0 HB1 ALA A 15 9.667 -5.971 10.206 1.00 50.35 H new ATOM 0 HB2 ALA A 15 9.461 -5.194 11.794 1.00 50.35 H new ATOM 0 HB3 ALA A 15 10.291 -6.764 11.672 1.00 50.35 H new ATOM 226 N ARG A 16 7.777 -9.286 11.237 1.00 5.14 N ATOM 227 CA ARG A 16 7.742 -10.580 10.553 1.00 23.43 C ATOM 228 C ARG A 16 6.969 -11.625 11.378 1.00 45.43 C ATOM 229 O ARG A 16 7.047 -11.641 12.608 1.00 51.41 O ATOM 230 CB ARG A 16 9.176 -11.064 10.295 1.00 45.23 C ATOM 231 CG ARG A 16 9.268 -12.336 9.464 1.00 24.43 C ATOM 232 CD ARG A 16 10.716 -12.727 9.206 1.00 20.13 C ATOM 233 NE ARG A 16 10.825 -13.888 8.328 1.00 44.22 N ATOM 234 CZ ARG A 16 11.744 -14.023 7.409 1.00 13.13 C ATOM 235 NH1 ARG A 16 12.647 -13.112 7.238 1.00 62.14 N ATOM 236 NH2 ARG A 16 11.765 -15.078 6.668 1.00 33.31 N ATOM 0 H ARG A 16 7.515 -9.325 12.222 1.00 5.14 H new ATOM 0 HA ARG A 16 7.223 -10.455 9.603 1.00 23.43 H new ATOM 0 HB2 ARG A 16 9.729 -10.272 9.789 1.00 45.23 H new ATOM 0 HB3 ARG A 16 9.668 -11.233 11.253 1.00 45.23 H new ATOM 0 HG2 ARG A 16 8.757 -13.148 9.981 1.00 24.43 H new ATOM 0 HG3 ARG A 16 8.754 -12.190 8.514 1.00 24.43 H new ATOM 0 HD2 ARG A 16 11.244 -11.885 8.759 1.00 20.13 H new ATOM 0 HD3 ARG A 16 11.207 -12.944 10.155 1.00 20.13 H new ATOM 0 HE ARG A 16 10.143 -14.639 8.438 1.00 44.22 H new ATOM 0 HH11 ARG A 16 12.647 -12.277 7.824 1.00 62.14 H new ATOM 0 HH12 ARG A 16 13.359 -13.229 6.517 1.00 62.14 H new ATOM 0 HH21 ARG A 16 11.064 -15.807 6.799 1.00 33.31 H new ATOM 0 HH22 ARG A 16 12.482 -15.183 5.951 1.00 33.31 H new ATOM 250 N LYS A 17 6.228 -12.500 10.691 1.00 74.34 N ATOM 251 CA LYS A 17 5.477 -13.578 11.352 1.00 23.13 C ATOM 252 C LYS A 17 6.403 -14.454 12.211 1.00 4.35 C ATOM 253 O LYS A 17 6.070 -14.799 13.345 1.00 1.42 O ATOM 254 CB LYS A 17 4.754 -14.445 10.304 1.00 22.20 C ATOM 255 CG LYS A 17 4.053 -15.678 10.885 1.00 1.12 C ATOM 256 CD LYS A 17 2.878 -15.312 11.794 1.00 60.00 C ATOM 257 CE LYS A 17 2.288 -16.551 12.464 1.00 50.23 C ATOM 258 NZ LYS A 17 1.060 -16.245 13.246 1.00 71.21 N ATOM 0 H LYS A 17 6.131 -12.485 9.676 1.00 74.34 H new ATOM 0 HA LYS A 17 4.737 -13.119 12.008 1.00 23.13 H new ATOM 0 HB2 LYS A 17 4.016 -13.831 9.787 1.00 22.20 H new ATOM 0 HB3 LYS A 17 5.477 -14.771 9.557 1.00 22.20 H new ATOM 0 HG2 LYS A 17 3.695 -16.306 10.069 1.00 1.12 H new ATOM 0 HG3 LYS A 17 4.774 -16.269 11.449 1.00 1.12 H new ATOM 0 HD2 LYS A 17 3.211 -14.607 12.556 1.00 60.00 H new ATOM 0 HD3 LYS A 17 2.107 -14.809 11.210 1.00 60.00 H new ATOM 0 HE2 LYS A 17 2.054 -17.295 11.703 1.00 50.23 H new ATOM 0 HE3 LYS A 17 3.034 -16.994 13.124 1.00 50.23 H new ATOM 0 HZ1 LYS A 17 0.834 -17.049 13.865 1.00 71.21 H new ATOM 0 HZ2 LYS A 17 1.220 -15.396 13.825 1.00 71.21 H new ATOM 0 HZ3 LYS A 17 0.267 -16.076 12.595 1.00 71.21 H new ATOM 272 N ALA A 18 7.564 -14.805 11.658 1.00 42.41 N ATOM 273 CA ALA A 18 8.571 -15.595 12.380 1.00 75.22 C ATOM 274 C ALA A 18 9.024 -14.902 13.677 1.00 43.10 C ATOM 275 O ALA A 18 9.273 -15.557 14.690 1.00 53.00 O ATOM 276 CB ALA A 18 9.772 -15.865 11.479 1.00 63.44 C ATOM 0 H ALA A 18 7.835 -14.555 10.707 1.00 42.41 H new ATOM 0 HA ALA A 18 8.108 -16.542 12.659 1.00 75.22 H new ATOM 0 HB1 ALA A 18 10.512 -16.451 12.025 1.00 63.44 H new ATOM 0 HB2 ALA A 18 9.448 -16.419 10.598 1.00 63.44 H new ATOM 0 HB3 ALA A 18 10.215 -14.918 11.170 1.00 63.44 H new ATOM 282 N ASP A 19 9.118 -13.572 13.639 1.00 62.11 N ATOM 283 CA ASP A 19 9.487 -12.787 14.821 1.00 4.43 C ATOM 284 C ASP A 19 8.390 -12.889 15.894 1.00 32.01 C ATOM 285 O ASP A 19 8.675 -13.069 17.080 1.00 72.33 O ATOM 286 CB ASP A 19 9.724 -11.323 14.423 1.00 62.35 C ATOM 287 CG ASP A 19 10.362 -10.509 15.536 1.00 64.50 C ATOM 288 OD1 ASP A 19 11.472 -10.872 15.977 1.00 63.01 O ATOM 289 OD2 ASP A 19 9.763 -9.504 15.966 1.00 34.10 O ATOM 0 H ASP A 19 8.944 -13.014 12.803 1.00 62.11 H new ATOM 0 HA ASP A 19 10.410 -13.187 15.240 1.00 4.43 H new ATOM 0 HB2 ASP A 19 10.364 -11.289 13.541 1.00 62.35 H new ATOM 0 HB3 ASP A 19 8.773 -10.868 14.145 1.00 62.35 H new ATOM 294 N ALA A 20 7.134 -12.793 15.458 1.00 63.13 N ATOM 295 CA ALA A 20 5.986 -12.979 16.349 1.00 11.02 C ATOM 296 C ALA A 20 5.996 -14.375 16.989 1.00 20.23 C ATOM 297 O ALA A 20 5.797 -14.518 18.196 1.00 21.33 O ATOM 298 CB ALA A 20 4.685 -12.758 15.585 1.00 44.32 C ATOM 0 H ALA A 20 6.884 -12.587 14.491 1.00 63.13 H new ATOM 0 HA ALA A 20 6.059 -12.243 17.149 1.00 11.02 H new ATOM 0 HB1 ALA A 20 3.839 -12.899 16.258 1.00 44.32 H new ATOM 0 HB2 ALA A 20 4.665 -11.744 15.185 1.00 44.32 H new ATOM 0 HB3 ALA A 20 4.619 -13.473 14.765 1.00 44.32 H new ATOM 304 N LEU A 21 6.240 -15.398 16.167 1.00 25.40 N ATOM 305 CA LEU A 21 6.314 -16.785 16.645 1.00 41.12 C ATOM 306 C LEU A 21 7.411 -16.958 17.703 1.00 25.35 C ATOM 307 O LEU A 21 7.203 -17.612 18.726 1.00 44.53 O ATOM 308 CB LEU A 21 6.569 -17.743 15.473 1.00 42.32 C ATOM 309 CG LEU A 21 5.460 -17.788 14.408 1.00 43.45 C ATOM 310 CD1 LEU A 21 5.813 -18.771 13.290 1.00 2.44 C ATOM 311 CD2 LEU A 21 4.122 -18.146 15.048 1.00 40.32 C ATOM 0 H LEU A 21 6.390 -15.294 15.164 1.00 25.40 H new ATOM 0 HA LEU A 21 5.355 -17.024 17.105 1.00 41.12 H new ATOM 0 HB2 LEU A 21 7.503 -17.458 14.989 1.00 42.32 H new ATOM 0 HB3 LEU A 21 6.709 -18.748 15.871 1.00 42.32 H new ATOM 0 HG LEU A 21 5.373 -16.797 13.963 1.00 43.45 H new ATOM 0 HD11 LEU A 21 5.012 -18.784 12.550 1.00 2.44 H new ATOM 0 HD12 LEU A 21 6.743 -18.461 12.813 1.00 2.44 H new ATOM 0 HD13 LEU A 21 5.936 -19.770 13.709 1.00 2.44 H new ATOM 0 HD21 LEU A 21 3.348 -18.174 14.281 1.00 40.32 H new ATOM 0 HD22 LEU A 21 4.196 -19.124 15.524 1.00 40.32 H new ATOM 0 HD23 LEU A 21 3.865 -17.397 15.797 1.00 40.32 H new ATOM 323 N ALA A 22 8.579 -16.372 17.447 1.00 13.32 N ATOM 324 CA ALA A 22 9.684 -16.400 18.406 1.00 42.15 C ATOM 325 C ALA A 22 9.262 -15.799 19.754 1.00 60.23 C ATOM 326 O ALA A 22 9.394 -16.440 20.794 1.00 2.35 O ATOM 327 CB ALA A 22 10.888 -15.658 17.842 1.00 63.32 C ATOM 0 H ALA A 22 8.786 -15.871 16.583 1.00 13.32 H new ATOM 0 HA ALA A 22 9.961 -17.440 18.577 1.00 42.15 H new ATOM 0 HB1 ALA A 22 11.704 -15.686 18.565 1.00 63.32 H new ATOM 0 HB2 ALA A 22 11.208 -16.135 16.915 1.00 63.32 H new ATOM 0 HB3 ALA A 22 10.616 -14.622 17.642 1.00 63.32 H new ATOM 333 N PHE A 23 8.734 -14.573 19.721 1.00 3.12 N ATOM 334 CA PHE A 23 8.253 -13.894 20.933 1.00 53.45 C ATOM 335 C PHE A 23 7.242 -14.758 21.704 1.00 3.43 C ATOM 336 O PHE A 23 7.370 -14.952 22.917 1.00 42.53 O ATOM 337 CB PHE A 23 7.616 -12.549 20.561 1.00 43.02 C ATOM 338 CG PHE A 23 7.041 -11.791 21.738 1.00 60.44 C ATOM 339 CD1 PHE A 23 7.852 -10.991 22.531 1.00 21.01 C ATOM 340 CD2 PHE A 23 5.687 -11.876 22.045 1.00 50.42 C ATOM 341 CE1 PHE A 23 7.326 -10.296 23.605 1.00 55.03 C ATOM 342 CE2 PHE A 23 5.159 -11.183 23.118 1.00 53.33 C ATOM 343 CZ PHE A 23 5.979 -10.392 23.898 1.00 52.11 C ATOM 0 H PHE A 23 8.627 -14.026 18.866 1.00 3.12 H new ATOM 0 HA PHE A 23 9.111 -13.725 21.584 1.00 53.45 H new ATOM 0 HB2 PHE A 23 8.366 -11.927 20.073 1.00 43.02 H new ATOM 0 HB3 PHE A 23 6.824 -12.723 19.833 1.00 43.02 H new ATOM 0 HD1 PHE A 23 8.905 -10.910 22.307 1.00 21.01 H new ATOM 0 HD2 PHE A 23 5.040 -12.491 21.437 1.00 50.42 H new ATOM 0 HE1 PHE A 23 7.968 -9.678 24.215 1.00 55.03 H new ATOM 0 HE2 PHE A 23 4.106 -11.260 23.346 1.00 53.33 H new ATOM 0 HZ PHE A 23 5.568 -9.849 24.736 1.00 52.11 H new ATOM 353 N MET A 24 6.237 -15.270 20.992 1.00 3.43 N ATOM 354 CA MET A 24 5.226 -16.148 21.591 1.00 31.15 C ATOM 355 C MET A 24 5.875 -17.375 22.242 1.00 65.12 C ATOM 356 O MET A 24 5.561 -17.729 23.376 1.00 0.40 O ATOM 357 CB MET A 24 4.216 -16.601 20.527 1.00 51.12 C ATOM 358 CG MET A 24 3.408 -15.466 19.915 1.00 50.12 C ATOM 359 SD MET A 24 2.314 -16.037 18.601 1.00 71.43 S ATOM 360 CE MET A 24 1.559 -14.497 18.093 1.00 62.42 C ATOM 0 H MET A 24 6.100 -15.092 19.997 1.00 3.43 H new ATOM 0 HA MET A 24 4.707 -15.581 22.364 1.00 31.15 H new ATOM 0 HB2 MET A 24 4.750 -17.122 19.733 1.00 51.12 H new ATOM 0 HB3 MET A 24 3.531 -17.320 20.975 1.00 51.12 H new ATOM 0 HG2 MET A 24 2.817 -14.983 20.693 1.00 50.12 H new ATOM 0 HG3 MET A 24 4.088 -14.712 19.517 1.00 50.12 H new ATOM 0 HE1 MET A 24 0.894 -14.679 17.248 1.00 62.42 H new ATOM 0 HE2 MET A 24 0.987 -14.081 18.922 1.00 62.42 H new ATOM 0 HE3 MET A 24 2.335 -13.791 17.798 1.00 62.42 H new ATOM 370 N LYS A 25 6.795 -18.007 21.516 1.00 61.12 N ATOM 371 CA LYS A 25 7.498 -19.197 22.006 1.00 44.23 C ATOM 372 C LYS A 25 8.334 -18.865 23.260 1.00 23.14 C ATOM 373 O LYS A 25 8.369 -19.641 24.215 1.00 10.20 O ATOM 374 CB LYS A 25 8.382 -19.774 20.877 1.00 54.24 C ATOM 375 CG LYS A 25 8.850 -21.218 21.097 1.00 24.13 C ATOM 376 CD LYS A 25 10.101 -21.318 21.969 1.00 13.02 C ATOM 377 CE LYS A 25 11.319 -20.693 21.295 1.00 31.04 C ATOM 378 NZ LYS A 25 12.553 -20.890 22.098 1.00 33.43 N ATOM 0 H LYS A 25 7.074 -17.714 20.580 1.00 61.12 H new ATOM 0 HA LYS A 25 6.766 -19.951 22.297 1.00 44.23 H new ATOM 0 HB2 LYS A 25 7.827 -19.726 19.940 1.00 54.24 H new ATOM 0 HB3 LYS A 25 9.259 -19.137 20.761 1.00 54.24 H new ATOM 0 HG2 LYS A 25 8.045 -21.788 21.561 1.00 24.13 H new ATOM 0 HG3 LYS A 25 9.051 -21.680 20.130 1.00 24.13 H new ATOM 0 HD2 LYS A 25 9.919 -20.821 22.922 1.00 13.02 H new ATOM 0 HD3 LYS A 25 10.306 -22.365 22.190 1.00 13.02 H new ATOM 0 HE2 LYS A 25 11.454 -21.133 20.307 1.00 31.04 H new ATOM 0 HE3 LYS A 25 11.147 -19.627 21.148 1.00 31.04 H new ATOM 0 HZ1 LYS A 25 13.359 -20.452 21.608 1.00 33.43 H new ATOM 0 HZ2 LYS A 25 12.434 -20.448 23.032 1.00 33.43 H new ATOM 0 HZ3 LYS A 25 12.731 -21.908 22.217 1.00 33.43 H new ATOM 392 N VAL A 26 8.984 -17.700 23.259 1.00 11.35 N ATOM 393 CA VAL A 26 9.792 -17.258 24.405 1.00 51.45 C ATOM 394 C VAL A 26 8.950 -17.156 25.692 1.00 23.45 C ATOM 395 O VAL A 26 9.294 -17.754 26.715 1.00 23.24 O ATOM 396 CB VAL A 26 10.476 -15.890 24.130 1.00 1.24 C ATOM 397 CG1 VAL A 26 11.175 -15.360 25.382 1.00 1.12 C ATOM 398 CG2 VAL A 26 11.470 -16.002 22.975 1.00 42.12 C ATOM 0 H VAL A 26 8.969 -17.043 22.479 1.00 11.35 H new ATOM 0 HA VAL A 26 10.562 -18.016 24.548 1.00 51.45 H new ATOM 0 HB VAL A 26 9.697 -15.181 23.850 1.00 1.24 H new ATOM 0 HG11 VAL A 26 11.644 -14.402 25.159 1.00 1.12 H new ATOM 0 HG12 VAL A 26 10.443 -15.229 26.179 1.00 1.12 H new ATOM 0 HG13 VAL A 26 11.937 -16.071 25.702 1.00 1.12 H new ATOM 0 HG21 VAL A 26 11.936 -15.032 22.801 1.00 42.12 H new ATOM 0 HG22 VAL A 26 12.238 -16.734 23.225 1.00 42.12 H new ATOM 0 HG23 VAL A 26 10.946 -16.320 22.074 1.00 42.12 H new ATOM 408 N MET A 27 7.846 -16.404 25.638 1.00 53.33 N ATOM 409 CA MET A 27 6.968 -16.253 26.808 1.00 74.11 C ATOM 410 C MET A 27 6.211 -17.561 27.111 1.00 35.23 C ATOM 411 O MET A 27 5.862 -17.839 28.261 1.00 1.53 O ATOM 412 CB MET A 27 5.988 -15.080 26.620 1.00 62.54 C ATOM 413 CG MET A 27 4.957 -15.267 25.515 1.00 61.13 C ATOM 414 SD MET A 27 3.827 -13.863 25.408 1.00 41.25 S ATOM 415 CE MET A 27 2.652 -14.444 24.190 1.00 53.31 C ATOM 0 H MET A 27 7.540 -15.895 24.809 1.00 53.33 H new ATOM 0 HA MET A 27 7.600 -16.027 27.667 1.00 74.11 H new ATOM 0 HB2 MET A 27 5.463 -14.912 27.560 1.00 62.54 H new ATOM 0 HB3 MET A 27 6.562 -14.178 26.410 1.00 62.54 H new ATOM 0 HG2 MET A 27 5.467 -15.397 24.560 1.00 61.13 H new ATOM 0 HG3 MET A 27 4.388 -16.178 25.699 1.00 61.13 H new ATOM 0 HE1 MET A 27 2.811 -13.916 23.250 1.00 53.31 H new ATOM 0 HE2 MET A 27 2.790 -15.514 24.033 1.00 53.31 H new ATOM 0 HE3 MET A 27 1.638 -14.257 24.544 1.00 53.31 H new ATOM 425 N LEU A 28 5.988 -18.371 26.075 1.00 31.53 N ATOM 426 CA LEU A 28 5.375 -19.698 26.231 1.00 43.51 C ATOM 427 C LEU A 28 6.253 -20.600 27.118 1.00 12.50 C ATOM 428 O LEU A 28 5.757 -21.325 27.979 1.00 22.34 O ATOM 429 CB LEU A 28 5.177 -20.340 24.847 1.00 34.11 C ATOM 430 CG LEU A 28 4.491 -21.716 24.827 1.00 5.15 C ATOM 431 CD1 LEU A 28 3.050 -21.614 25.322 1.00 22.20 C ATOM 432 CD2 LEU A 28 4.541 -22.311 23.420 1.00 72.43 C ATOM 0 H LEU A 28 6.223 -18.132 25.112 1.00 31.53 H new ATOM 0 HA LEU A 28 4.406 -19.585 26.716 1.00 43.51 H new ATOM 0 HB2 LEU A 28 4.591 -19.656 24.233 1.00 34.11 H new ATOM 0 HB3 LEU A 28 6.153 -20.437 24.372 1.00 34.11 H new ATOM 0 HG LEU A 28 5.030 -22.380 25.503 1.00 5.15 H new ATOM 0 HD11 LEU A 28 2.586 -22.600 25.298 1.00 22.20 H new ATOM 0 HD12 LEU A 28 3.042 -21.234 26.344 1.00 22.20 H new ATOM 0 HD13 LEU A 28 2.491 -20.935 24.678 1.00 22.20 H new ATOM 0 HD21 LEU A 28 4.052 -23.285 23.419 1.00 72.43 H new ATOM 0 HD22 LEU A 28 4.027 -21.647 22.725 1.00 72.43 H new ATOM 0 HD23 LEU A 28 5.580 -22.426 23.110 1.00 72.43 H new ATOM 444 N ASN A 29 7.567 -20.532 26.900 1.00 30.23 N ATOM 445 CA ASN A 29 8.537 -21.280 27.711 1.00 4.05 C ATOM 446 C ASN A 29 8.922 -20.519 28.992 1.00 23.45 C ATOM 447 O ASN A 29 9.644 -21.044 29.843 1.00 2.42 O ATOM 448 CB ASN A 29 9.788 -21.587 26.881 1.00 75.03 C ATOM 449 CG ASN A 29 9.549 -22.692 25.870 1.00 52.24 C ATOM 450 OD1 ASN A 29 9.824 -23.858 26.130 1.00 71.13 O ATOM 451 ND2 ASN A 29 9.027 -22.341 24.719 1.00 43.04 N ATOM 0 H ASN A 29 7.989 -19.964 26.165 1.00 30.23 H new ATOM 0 HA ASN A 29 8.065 -22.214 28.015 1.00 4.05 H new ATOM 0 HB2 ASN A 29 10.107 -20.684 26.361 1.00 75.03 H new ATOM 0 HB3 ASN A 29 10.601 -21.876 27.547 1.00 75.03 H new ATOM 0 HD21 ASN A 29 8.838 -23.048 24.008 1.00 43.04 H new ATOM 0 HD22 ASN A 29 8.810 -21.361 24.535 1.00 43.04 H new ATOM 458 N ARG A 30 8.467 -19.271 29.110 1.00 63.42 N ATOM 459 CA ARG A 30 8.617 -18.512 30.357 1.00 41.52 C ATOM 460 C ARG A 30 7.626 -19.024 31.412 1.00 14.11 C ATOM 461 O ARG A 30 7.999 -19.296 32.554 1.00 71.33 O ATOM 462 CB ARG A 30 8.399 -17.009 30.113 1.00 53.52 C ATOM 463 CG ARG A 30 8.382 -16.167 31.392 1.00 22.02 C ATOM 464 CD ARG A 30 9.717 -16.210 32.130 1.00 42.52 C ATOM 465 NE ARG A 30 9.619 -15.652 33.477 1.00 43.50 N ATOM 466 CZ ARG A 30 10.625 -15.155 34.142 1.00 25.14 C ATOM 467 NH1 ARG A 30 11.784 -15.020 33.583 1.00 64.13 N ATOM 468 NH2 ARG A 30 10.457 -14.766 35.363 1.00 41.14 N ATOM 0 H ARG A 30 7.993 -18.764 28.362 1.00 63.42 H new ATOM 0 HA ARG A 30 9.633 -18.656 30.724 1.00 41.52 H new ATOM 0 HB2 ARG A 30 9.188 -16.640 29.457 1.00 53.52 H new ATOM 0 HB3 ARG A 30 7.455 -16.870 29.586 1.00 53.52 H new ATOM 0 HG2 ARG A 30 8.141 -15.134 31.141 1.00 22.02 H new ATOM 0 HG3 ARG A 30 7.593 -16.528 32.052 1.00 22.02 H new ATOM 0 HD2 ARG A 30 10.065 -17.241 32.190 1.00 42.52 H new ATOM 0 HD3 ARG A 30 10.463 -15.655 31.561 1.00 42.52 H new ATOM 0 HE ARG A 30 8.704 -15.651 33.927 1.00 43.50 H new ATOM 0 HH11 ARG A 30 11.918 -15.303 32.612 1.00 64.13 H new ATOM 0 HH12 ARG A 30 12.563 -14.630 34.113 1.00 64.13 H new ATOM 0 HH21 ARG A 30 9.540 -14.848 35.803 1.00 41.14 H new ATOM 0 HH22 ARG A 30 11.241 -14.377 35.887 1.00 41.14 H new ATOM 482 N TYR A 31 6.358 -19.140 31.019 1.00 32.12 N ATOM 483 CA TYR A 31 5.335 -19.727 31.885 1.00 61.32 C ATOM 484 C TYR A 31 5.519 -21.247 31.997 1.00 43.33 C ATOM 485 O TYR A 31 5.852 -21.925 31.020 1.00 22.34 O ATOM 486 CB TYR A 31 3.927 -19.423 31.359 1.00 15.41 C ATOM 487 CG TYR A 31 3.496 -17.970 31.489 1.00 4.53 C ATOM 488 CD1 TYR A 31 3.215 -17.419 32.737 1.00 14.22 C ATOM 489 CD2 TYR A 31 3.338 -17.160 30.367 1.00 71.10 C ATOM 490 CE1 TYR A 31 2.793 -16.109 32.860 1.00 72.42 C ATOM 491 CE2 TYR A 31 2.922 -15.847 30.487 1.00 41.41 C ATOM 492 CZ TYR A 31 2.649 -15.328 31.735 1.00 42.24 C ATOM 493 OH TYR A 31 2.216 -14.026 31.860 1.00 43.32 O ATOM 0 H TYR A 31 6.014 -18.836 30.108 1.00 32.12 H new ATOM 0 HA TYR A 31 5.449 -19.279 32.872 1.00 61.32 H new ATOM 0 HB2 TYR A 31 3.878 -19.709 30.308 1.00 15.41 H new ATOM 0 HB3 TYR A 31 3.212 -20.048 31.894 1.00 15.41 H new ATOM 0 HD1 TYR A 31 3.329 -18.026 33.623 1.00 14.22 H new ATOM 0 HD2 TYR A 31 3.544 -17.564 29.387 1.00 71.10 H new ATOM 0 HE1 TYR A 31 2.577 -15.699 33.835 1.00 72.42 H new ATOM 0 HE2 TYR A 31 2.811 -15.231 29.607 1.00 41.41 H new ATOM 0 HH TYR A 31 2.168 -13.611 30.974 1.00 43.32 H new ATOM 503 N ARG A 32 5.307 -21.771 33.194 1.00 74.55 N ATOM 504 CA ARG A 32 5.400 -23.208 33.445 1.00 23.11 C ATOM 505 C ARG A 32 4.054 -23.900 33.149 1.00 74.53 C ATOM 506 O ARG A 32 3.014 -23.245 33.122 1.00 34.54 O ATOM 507 CB ARG A 32 5.835 -23.436 34.901 1.00 71.52 C ATOM 508 CG ARG A 32 7.210 -22.845 35.217 1.00 53.34 C ATOM 509 CD ARG A 32 7.561 -22.954 36.697 1.00 55.24 C ATOM 510 NE ARG A 32 7.453 -24.324 37.192 1.00 74.24 N ATOM 511 CZ ARG A 32 8.371 -25.239 37.040 1.00 54.14 C ATOM 512 NH1 ARG A 32 9.450 -24.986 36.371 1.00 51.14 N ATOM 513 NH2 ARG A 32 8.195 -26.414 37.547 1.00 20.13 N ATOM 0 H ARG A 32 5.067 -21.219 34.017 1.00 74.55 H new ATOM 0 HA ARG A 32 6.144 -23.647 32.780 1.00 23.11 H new ATOM 0 HB2 ARG A 32 5.095 -22.995 35.568 1.00 71.52 H new ATOM 0 HB3 ARG A 32 5.851 -24.506 35.106 1.00 71.52 H new ATOM 0 HG2 ARG A 32 7.968 -23.360 34.627 1.00 53.34 H new ATOM 0 HG3 ARG A 32 7.230 -21.797 34.917 1.00 53.34 H new ATOM 0 HD2 ARG A 32 8.577 -22.592 36.855 1.00 55.24 H new ATOM 0 HD3 ARG A 32 6.899 -22.308 37.274 1.00 55.24 H new ATOM 0 HE ARG A 32 6.602 -24.583 37.691 1.00 74.24 H new ATOM 0 HH11 ARG A 32 9.589 -24.064 35.957 1.00 51.14 H new ATOM 0 HH12 ARG A 32 10.161 -25.708 36.258 1.00 51.14 H new ATOM 0 HH21 ARG A 32 7.341 -26.624 38.064 1.00 20.13 H new ATOM 0 HH22 ARG A 32 8.910 -27.132 37.430 1.00 20.13 H new ATOM 527 N PRO A 33 4.055 -25.234 32.921 1.00 41.42 N ATOM 528 CA PRO A 33 2.835 -26.002 32.555 1.00 22.22 C ATOM 529 C PRO A 33 1.624 -25.824 33.504 1.00 65.33 C ATOM 530 O PRO A 33 0.567 -26.422 33.278 1.00 45.22 O ATOM 531 CB PRO A 33 3.323 -27.458 32.588 1.00 71.14 C ATOM 532 CG PRO A 33 4.781 -27.368 32.295 1.00 20.53 C ATOM 533 CD PRO A 33 5.250 -26.104 32.965 1.00 70.01 C ATOM 0 HA PRO A 33 2.447 -25.657 31.596 1.00 22.22 H new ATOM 0 HB2 PRO A 33 3.141 -27.916 33.560 1.00 71.14 H new ATOM 0 HB3 PRO A 33 2.806 -28.067 31.847 1.00 71.14 H new ATOM 0 HG2 PRO A 33 5.313 -28.237 32.681 1.00 20.53 H new ATOM 0 HG3 PRO A 33 4.964 -27.334 31.221 1.00 20.53 H new ATOM 0 HD2 PRO A 33 5.576 -26.288 33.989 1.00 70.01 H new ATOM 0 HD3 PRO A 33 6.093 -25.657 32.437 1.00 70.01 H new ATOM 541 N GLY A 34 1.777 -25.032 34.566 1.00 24.52 N ATOM 542 CA GLY A 34 0.664 -24.762 35.475 1.00 14.00 C ATOM 543 C GLY A 34 0.485 -23.279 35.791 1.00 12.10 C ATOM 544 O GLY A 34 -0.182 -22.922 36.762 1.00 61.23 O ATOM 0 H GLY A 34 2.652 -24.571 34.816 1.00 24.52 H new ATOM 0 HA2 GLY A 34 -0.256 -25.146 35.035 1.00 14.00 H new ATOM 0 HA3 GLY A 34 0.824 -25.307 36.405 1.00 14.00 H new ATOM 548 N ASP A 35 1.073 -22.411 34.971 1.00 54.23 N ATOM 549 CA ASP A 35 0.993 -20.963 35.189 1.00 44.53 C ATOM 550 C ASP A 35 -0.071 -20.305 34.300 1.00 52.24 C ATOM 551 O ASP A 35 -0.111 -20.515 33.083 1.00 63.31 O ATOM 552 CB ASP A 35 2.357 -20.304 34.940 1.00 5.13 C ATOM 553 CG ASP A 35 3.373 -20.622 36.023 1.00 5.21 C ATOM 554 OD1 ASP A 35 2.963 -20.897 37.171 1.00 34.15 O ATOM 555 OD2 ASP A 35 4.587 -20.562 35.742 1.00 12.15 O ATOM 0 H ASP A 35 1.611 -22.682 34.148 1.00 54.23 H new ATOM 0 HA ASP A 35 0.701 -20.812 36.228 1.00 44.53 H new ATOM 0 HB2 ASP A 35 2.745 -20.635 33.977 1.00 5.13 H new ATOM 0 HB3 ASP A 35 2.227 -19.224 34.877 1.00 5.13 H new ATOM 560 N ILE A 36 -0.935 -19.511 34.925 1.00 42.30 N ATOM 561 CA ILE A 36 -1.925 -18.715 34.203 1.00 70.21 C ATOM 562 C ILE A 36 -1.289 -17.425 33.659 1.00 73.12 C ATOM 563 O ILE A 36 -0.560 -16.729 34.373 1.00 54.22 O ATOM 564 CB ILE A 36 -3.129 -18.354 35.114 1.00 3.35 C ATOM 565 CG1 ILE A 36 -3.821 -19.630 35.626 1.00 22.42 C ATOM 566 CG2 ILE A 36 -4.126 -17.456 34.379 1.00 52.52 C ATOM 567 CD1 ILE A 36 -4.383 -20.510 34.526 1.00 35.00 C ATOM 0 H ILE A 36 -0.970 -19.401 35.938 1.00 42.30 H new ATOM 0 HA ILE A 36 -2.286 -19.318 33.370 1.00 70.21 H new ATOM 0 HB ILE A 36 -2.749 -17.800 35.972 1.00 3.35 H new ATOM 0 HG12 ILE A 36 -3.106 -20.209 36.211 1.00 22.42 H new ATOM 0 HG13 ILE A 36 -4.630 -19.347 36.300 1.00 22.42 H new ATOM 0 HG21 ILE A 36 -4.959 -17.219 35.041 1.00 52.52 H new ATOM 0 HG22 ILE A 36 -3.630 -16.534 34.075 1.00 52.52 H new ATOM 0 HG23 ILE A 36 -4.500 -17.974 33.496 1.00 52.52 H new ATOM 0 HD11 ILE A 36 -4.854 -21.388 34.968 1.00 35.00 H new ATOM 0 HD12 ILE A 36 -5.123 -19.950 33.954 1.00 35.00 H new ATOM 0 HD13 ILE A 36 -3.576 -20.825 33.864 1.00 35.00 H new ATOM 579 N VAL A 37 -1.567 -17.118 32.397 1.00 65.34 N ATOM 580 CA VAL A 37 -1.020 -15.931 31.735 1.00 31.23 C ATOM 581 C VAL A 37 -1.561 -14.629 32.357 1.00 11.42 C ATOM 582 O VAL A 37 -2.759 -14.509 32.635 1.00 14.45 O ATOM 583 CB VAL A 37 -1.342 -15.956 30.219 1.00 35.30 C ATOM 584 CG1 VAL A 37 -0.765 -14.735 29.513 1.00 3.04 C ATOM 585 CG2 VAL A 37 -0.824 -17.246 29.581 1.00 44.13 C ATOM 0 H VAL A 37 -2.176 -17.680 31.802 1.00 65.34 H new ATOM 0 HA VAL A 37 0.060 -15.953 31.877 1.00 31.23 H new ATOM 0 HB VAL A 37 -2.426 -15.926 30.105 1.00 35.30 H new ATOM 0 HG11 VAL A 37 -1.007 -14.780 28.451 1.00 3.04 H new ATOM 0 HG12 VAL A 37 -1.192 -13.830 29.944 1.00 3.04 H new ATOM 0 HG13 VAL A 37 0.318 -14.720 29.638 1.00 3.04 H new ATOM 0 HG21 VAL A 37 -1.059 -17.246 28.517 1.00 44.13 H new ATOM 0 HG22 VAL A 37 0.256 -17.309 29.714 1.00 44.13 H new ATOM 0 HG23 VAL A 37 -1.299 -18.104 30.057 1.00 44.13 H new ATOM 595 N SER A 38 -0.667 -13.659 32.567 1.00 72.54 N ATOM 596 CA SER A 38 -1.034 -12.374 33.188 1.00 21.25 C ATOM 597 C SER A 38 -2.014 -11.570 32.320 1.00 41.30 C ATOM 598 O SER A 38 -2.275 -11.919 31.171 1.00 4.34 O ATOM 599 CB SER A 38 0.219 -11.530 33.454 1.00 55.50 C ATOM 600 OG SER A 38 -0.116 -10.295 34.070 1.00 44.45 O ATOM 0 H SER A 38 0.319 -13.735 32.317 1.00 72.54 H new ATOM 0 HA SER A 38 -1.530 -12.608 34.130 1.00 21.25 H new ATOM 0 HB2 SER A 38 0.905 -12.085 34.094 1.00 55.50 H new ATOM 0 HB3 SER A 38 0.740 -11.342 32.515 1.00 55.50 H new ATOM 0 HG SER A 38 0.700 -9.777 34.230 1.00 44.45 H new ATOM 606 N THR A 39 -2.541 -10.476 32.871 1.00 33.44 N ATOM 607 CA THR A 39 -3.530 -9.649 32.163 1.00 15.43 C ATOM 608 C THR A 39 -2.917 -8.954 30.936 1.00 51.42 C ATOM 609 O THR A 39 -3.564 -8.822 29.898 1.00 21.12 O ATOM 610 CB THR A 39 -4.151 -8.583 33.101 1.00 55.22 C ATOM 611 OG1 THR A 39 -4.727 -9.222 34.254 1.00 44.32 O ATOM 612 CG2 THR A 39 -5.228 -7.769 32.386 1.00 71.34 C ATOM 0 H THR A 39 -2.303 -10.139 33.804 1.00 33.44 H new ATOM 0 HA THR A 39 -4.315 -10.325 31.825 1.00 15.43 H new ATOM 0 HB THR A 39 -3.354 -7.906 33.408 1.00 55.22 H new ATOM 0 HG1 THR A 39 -5.116 -8.543 34.844 1.00 44.32 H new ATOM 0 HG21 THR A 39 -5.642 -7.031 33.073 1.00 71.34 H new ATOM 0 HG22 THR A 39 -4.790 -7.260 31.528 1.00 71.34 H new ATOM 0 HG23 THR A 39 -6.022 -8.434 32.047 1.00 71.34 H new ATOM 620 N VAL A 40 -1.661 -8.521 31.057 1.00 24.33 N ATOM 621 CA VAL A 40 -0.954 -7.867 29.945 1.00 1.33 C ATOM 622 C VAL A 40 -0.678 -8.859 28.801 1.00 41.25 C ATOM 623 O VAL A 40 -1.150 -8.676 27.676 1.00 4.24 O ATOM 624 CB VAL A 40 0.385 -7.241 30.419 1.00 2.12 C ATOM 625 CG1 VAL A 40 1.102 -6.534 29.265 1.00 35.55 C ATOM 626 CG2 VAL A 40 0.143 -6.277 31.580 1.00 44.12 C ATOM 0 H VAL A 40 -1.110 -8.609 31.911 1.00 24.33 H new ATOM 0 HA VAL A 40 -1.604 -7.073 29.577 1.00 1.33 H new ATOM 0 HB VAL A 40 1.031 -8.046 30.769 1.00 2.12 H new ATOM 0 HG11 VAL A 40 2.037 -6.105 29.626 1.00 35.55 H new ATOM 0 HG12 VAL A 40 1.314 -7.253 28.474 1.00 35.55 H new ATOM 0 HG13 VAL A 40 0.466 -5.740 28.873 1.00 35.55 H new ATOM 0 HG21 VAL A 40 1.092 -5.847 31.900 1.00 44.12 H new ATOM 0 HG22 VAL A 40 -0.526 -5.479 31.257 1.00 44.12 H new ATOM 0 HG23 VAL A 40 -0.310 -6.816 32.412 1.00 44.12 H new ATOM 636 N ASP A 41 0.083 -9.912 29.102 1.00 21.32 N ATOM 637 CA ASP A 41 0.373 -10.975 28.132 1.00 1.31 C ATOM 638 C ASP A 41 -0.928 -11.620 27.615 1.00 1.11 C ATOM 639 O ASP A 41 -1.038 -11.990 26.444 1.00 55.31 O ATOM 640 CB ASP A 41 1.269 -12.028 28.787 1.00 43.02 C ATOM 641 CG ASP A 41 2.472 -11.403 29.472 1.00 33.35 C ATOM 642 OD1 ASP A 41 2.343 -10.980 30.641 1.00 33.41 O ATOM 643 OD2 ASP A 41 3.547 -11.317 28.845 1.00 32.40 O ATOM 0 H ASP A 41 0.513 -10.054 30.016 1.00 21.32 H new ATOM 0 HA ASP A 41 0.891 -10.541 27.277 1.00 1.31 H new ATOM 0 HB2 ASP A 41 0.690 -12.594 29.516 1.00 43.02 H new ATOM 0 HB3 ASP A 41 1.609 -12.736 28.031 1.00 43.02 H new ATOM 648 N GLY A 42 -1.913 -11.741 28.505 1.00 43.33 N ATOM 649 CA GLY A 42 -3.228 -12.243 28.122 1.00 30.21 C ATOM 650 C GLY A 42 -3.915 -11.357 27.090 1.00 31.22 C ATOM 651 O GLY A 42 -4.407 -11.846 26.078 1.00 71.15 O ATOM 0 H GLY A 42 -1.824 -11.499 29.492 1.00 43.33 H new ATOM 0 HA2 GLY A 42 -3.125 -13.251 27.720 1.00 30.21 H new ATOM 0 HA3 GLY A 42 -3.857 -12.317 29.009 1.00 30.21 H new ATOM 655 N ALA A 43 -3.934 -10.046 27.345 1.00 43.42 N ATOM 656 CA ALA A 43 -4.500 -9.071 26.401 1.00 70.33 C ATOM 657 C ALA A 43 -3.840 -9.189 25.018 1.00 23.14 C ATOM 658 O ALA A 43 -4.507 -9.093 23.985 1.00 70.32 O ATOM 659 CB ALA A 43 -4.339 -7.655 26.946 1.00 12.24 C ATOM 0 H ALA A 43 -3.563 -9.631 28.200 1.00 43.42 H new ATOM 0 HA ALA A 43 -5.562 -9.288 26.286 1.00 70.33 H new ATOM 0 HB1 ALA A 43 -4.762 -6.942 26.238 1.00 12.24 H new ATOM 0 HB2 ALA A 43 -4.859 -7.571 27.900 1.00 12.24 H new ATOM 0 HB3 ALA A 43 -3.280 -7.439 27.090 1.00 12.24 H new ATOM 665 N PHE A 44 -2.524 -9.399 25.015 1.00 33.23 N ATOM 666 CA PHE A 44 -1.777 -9.678 23.785 1.00 23.21 C ATOM 667 C PHE A 44 -2.393 -10.867 23.032 1.00 44.32 C ATOM 668 O PHE A 44 -2.646 -10.797 21.828 1.00 3.45 O ATOM 669 CB PHE A 44 -0.305 -9.963 24.132 1.00 52.44 C ATOM 670 CG PHE A 44 0.554 -10.371 22.955 1.00 33.53 C ATOM 671 CD1 PHE A 44 1.192 -9.415 22.178 1.00 64.55 C ATOM 672 CD2 PHE A 44 0.724 -11.712 22.630 1.00 24.24 C ATOM 673 CE1 PHE A 44 1.979 -9.786 21.104 1.00 0.10 C ATOM 674 CE2 PHE A 44 1.510 -12.087 21.555 1.00 11.42 C ATOM 675 CZ PHE A 44 2.137 -11.124 20.791 1.00 44.30 C ATOM 0 H PHE A 44 -1.948 -9.381 25.857 1.00 33.23 H new ATOM 0 HA PHE A 44 -1.829 -8.806 23.133 1.00 23.21 H new ATOM 0 HB2 PHE A 44 0.126 -9.071 24.587 1.00 52.44 H new ATOM 0 HB3 PHE A 44 -0.269 -10.753 24.882 1.00 52.44 H new ATOM 0 HD1 PHE A 44 1.072 -8.368 22.415 1.00 64.55 H new ATOM 0 HD2 PHE A 44 0.236 -12.471 23.224 1.00 24.24 H new ATOM 0 HE1 PHE A 44 2.471 -9.031 20.509 1.00 0.10 H new ATOM 0 HE2 PHE A 44 1.633 -13.133 21.314 1.00 11.42 H new ATOM 0 HZ PHE A 44 2.750 -11.414 19.950 1.00 44.30 H new ATOM 685 N LEU A 45 -2.643 -11.952 23.759 1.00 2.41 N ATOM 686 CA LEU A 45 -3.266 -13.149 23.187 1.00 4.44 C ATOM 687 C LEU A 45 -4.714 -12.880 22.736 1.00 64.42 C ATOM 688 O LEU A 45 -5.168 -13.430 21.733 1.00 50.10 O ATOM 689 CB LEU A 45 -3.226 -14.293 24.208 1.00 33.24 C ATOM 690 CG LEU A 45 -1.818 -14.772 24.594 1.00 11.01 C ATOM 691 CD1 LEU A 45 -1.879 -15.766 25.750 1.00 73.24 C ATOM 692 CD2 LEU A 45 -1.116 -15.390 23.387 1.00 3.05 C ATOM 0 H LEU A 45 -2.423 -12.030 24.752 1.00 2.41 H new ATOM 0 HA LEU A 45 -2.698 -13.434 22.301 1.00 4.44 H new ATOM 0 HB2 LEU A 45 -3.744 -13.971 25.111 1.00 33.24 H new ATOM 0 HB3 LEU A 45 -3.783 -15.139 23.805 1.00 33.24 H new ATOM 0 HG LEU A 45 -1.241 -13.908 24.924 1.00 11.01 H new ATOM 0 HD11 LEU A 45 -0.870 -16.090 26.005 1.00 73.24 H new ATOM 0 HD12 LEU A 45 -2.336 -15.289 26.617 1.00 73.24 H new ATOM 0 HD13 LEU A 45 -2.474 -16.630 25.456 1.00 73.24 H new ATOM 0 HD21 LEU A 45 -0.120 -15.724 23.677 1.00 3.05 H new ATOM 0 HD22 LEU A 45 -1.694 -16.241 23.027 1.00 3.05 H new ATOM 0 HD23 LEU A 45 -1.033 -14.646 22.594 1.00 3.05 H new ATOM 704 N VAL A 46 -5.432 -12.027 23.471 1.00 23.03 N ATOM 705 CA VAL A 46 -6.802 -11.649 23.101 1.00 61.45 C ATOM 706 C VAL A 46 -6.825 -10.916 21.746 1.00 33.22 C ATOM 707 O VAL A 46 -7.684 -11.176 20.898 1.00 61.02 O ATOM 708 CB VAL A 46 -7.468 -10.755 24.184 1.00 23.05 C ATOM 709 CG1 VAL A 46 -8.899 -10.398 23.790 1.00 14.44 C ATOM 710 CG2 VAL A 46 -7.450 -11.442 25.548 1.00 13.42 C ATOM 0 H VAL A 46 -5.090 -11.585 24.324 1.00 23.03 H new ATOM 0 HA VAL A 46 -7.373 -12.574 23.020 1.00 61.45 H new ATOM 0 HB VAL A 46 -6.889 -9.834 24.256 1.00 23.05 H new ATOM 0 HG11 VAL A 46 -9.344 -9.772 24.563 1.00 14.44 H new ATOM 0 HG12 VAL A 46 -8.892 -9.856 22.844 1.00 14.44 H new ATOM 0 HG13 VAL A 46 -9.485 -11.311 23.680 1.00 14.44 H new ATOM 0 HG21 VAL A 46 -7.922 -10.795 26.287 1.00 13.42 H new ATOM 0 HG22 VAL A 46 -7.996 -12.384 25.488 1.00 13.42 H new ATOM 0 HG23 VAL A 46 -6.419 -11.638 25.843 1.00 13.42 H new ATOM 720 N GLU A 47 -5.878 -9.997 21.544 1.00 41.43 N ATOM 721 CA GLU A 47 -5.722 -9.322 20.249 1.00 13.42 C ATOM 722 C GLU A 47 -5.252 -10.307 19.171 1.00 12.22 C ATOM 723 O GLU A 47 -5.735 -10.287 18.037 1.00 63.31 O ATOM 724 CB GLU A 47 -4.732 -8.150 20.358 1.00 21.43 C ATOM 725 CG GLU A 47 -5.253 -6.980 21.184 1.00 74.13 C ATOM 726 CD GLU A 47 -6.552 -6.416 20.628 1.00 4.31 C ATOM 727 OE1 GLU A 47 -6.504 -5.631 19.658 1.00 53.13 O ATOM 728 OE2 GLU A 47 -7.630 -6.768 21.149 1.00 70.52 O ATOM 0 H GLU A 47 -5.209 -9.703 22.256 1.00 41.43 H new ATOM 0 HA GLU A 47 -6.697 -8.929 19.960 1.00 13.42 H new ATOM 0 HB2 GLU A 47 -3.804 -8.511 20.801 1.00 21.43 H new ATOM 0 HB3 GLU A 47 -4.490 -7.796 19.356 1.00 21.43 H new ATOM 0 HG2 GLU A 47 -5.411 -7.306 22.212 1.00 74.13 H new ATOM 0 HG3 GLU A 47 -4.500 -6.193 21.211 1.00 74.13 H new ATOM 735 N ALA A 48 -4.310 -11.173 19.537 1.00 13.20 N ATOM 736 CA ALA A 48 -3.827 -12.222 18.634 1.00 73.54 C ATOM 737 C ALA A 48 -4.948 -13.208 18.275 1.00 12.13 C ATOM 738 O ALA A 48 -4.907 -13.855 17.229 1.00 63.20 O ATOM 739 CB ALA A 48 -2.648 -12.959 19.262 1.00 71.41 C ATOM 0 H ALA A 48 -3.863 -11.171 20.454 1.00 13.20 H new ATOM 0 HA ALA A 48 -3.494 -11.746 17.712 1.00 73.54 H new ATOM 0 HB1 ALA A 48 -2.299 -13.735 18.581 1.00 71.41 H new ATOM 0 HB2 ALA A 48 -1.839 -12.254 19.454 1.00 71.41 H new ATOM 0 HB3 ALA A 48 -2.962 -13.415 20.201 1.00 71.41 H new ATOM 745 N LEU A 49 -5.945 -13.313 19.153 1.00 25.51 N ATOM 746 CA LEU A 49 -7.116 -14.166 18.921 1.00 50.52 C ATOM 747 C LEU A 49 -8.123 -13.490 17.974 1.00 44.14 C ATOM 748 O LEU A 49 -8.736 -14.150 17.133 1.00 23.35 O ATOM 749 CB LEU A 49 -7.788 -14.511 20.258 1.00 31.31 C ATOM 750 CG LEU A 49 -9.022 -15.425 20.170 1.00 12.42 C ATOM 751 CD1 LEU A 49 -8.685 -16.741 19.466 1.00 12.12 C ATOM 752 CD2 LEU A 49 -9.589 -15.690 21.565 1.00 64.23 C ATOM 0 H LEU A 49 -5.967 -12.813 20.042 1.00 25.51 H new ATOM 0 HA LEU A 49 -6.777 -15.085 18.444 1.00 50.52 H new ATOM 0 HB2 LEU A 49 -7.050 -14.990 20.901 1.00 31.31 H new ATOM 0 HB3 LEU A 49 -8.082 -13.582 20.746 1.00 31.31 H new ATOM 0 HG LEU A 49 -9.780 -14.914 19.577 1.00 12.42 H new ATOM 0 HD11 LEU A 49 -9.576 -17.367 19.418 1.00 12.12 H new ATOM 0 HD12 LEU A 49 -8.333 -16.533 18.456 1.00 12.12 H new ATOM 0 HD13 LEU A 49 -7.905 -17.262 20.022 1.00 12.12 H new ATOM 0 HD21 LEU A 49 -10.462 -16.338 21.486 1.00 64.23 H new ATOM 0 HD22 LEU A 49 -8.831 -16.175 22.180 1.00 64.23 H new ATOM 0 HD23 LEU A 49 -9.879 -14.746 22.025 1.00 64.23 H new ATOM 764 N LYS A 50 -8.276 -12.170 18.099 1.00 14.20 N ATOM 765 CA LYS A 50 -9.185 -11.406 17.226 1.00 65.43 C ATOM 766 C LYS A 50 -8.785 -11.505 15.743 1.00 23.05 C ATOM 767 O LYS A 50 -9.604 -11.272 14.855 1.00 70.01 O ATOM 768 CB LYS A 50 -9.231 -9.928 17.636 1.00 1.51 C ATOM 769 CG LYS A 50 -9.891 -9.669 18.988 1.00 43.15 C ATOM 770 CD LYS A 50 -10.088 -8.174 19.232 1.00 14.13 C ATOM 771 CE LYS A 50 -10.723 -7.890 20.586 1.00 25.25 C ATOM 772 NZ LYS A 50 -9.849 -8.315 21.707 1.00 23.33 N ATOM 0 H LYS A 50 -7.786 -11.605 18.792 1.00 14.20 H new ATOM 0 HA LYS A 50 -10.173 -11.850 17.347 1.00 65.43 H new ATOM 0 HB2 LYS A 50 -8.213 -9.539 17.662 1.00 1.51 H new ATOM 0 HB3 LYS A 50 -9.767 -9.368 16.870 1.00 1.51 H new ATOM 0 HG2 LYS A 50 -10.855 -10.176 19.028 1.00 43.15 H new ATOM 0 HG3 LYS A 50 -9.276 -10.091 19.782 1.00 43.15 H new ATOM 0 HD2 LYS A 50 -9.125 -7.668 19.171 1.00 14.13 H new ATOM 0 HD3 LYS A 50 -10.716 -7.759 18.444 1.00 14.13 H new ATOM 0 HE2 LYS A 50 -10.932 -6.824 20.673 1.00 25.25 H new ATOM 0 HE3 LYS A 50 -11.679 -8.409 20.654 1.00 25.25 H new ATOM 0 HZ1 LYS A 50 -10.244 -7.970 22.605 1.00 23.33 H new ATOM 0 HZ2 LYS A 50 -9.794 -9.353 21.730 1.00 23.33 H new ATOM 0 HZ3 LYS A 50 -8.896 -7.920 21.573 1.00 23.33 H new ATOM 786 N ARG A 51 -7.526 -11.848 15.478 1.00 71.12 N ATOM 787 CA ARG A 51 -7.031 -11.982 14.098 1.00 30.11 C ATOM 788 C ARG A 51 -7.341 -13.376 13.510 1.00 60.20 C ATOM 789 O ARG A 51 -6.638 -13.861 12.624 1.00 34.43 O ATOM 790 CB ARG A 51 -5.518 -11.715 14.057 1.00 31.41 C ATOM 791 CG ARG A 51 -5.127 -10.322 14.544 1.00 64.03 C ATOM 792 CD ARG A 51 -3.644 -10.042 14.327 1.00 5.42 C ATOM 793 NE ARG A 51 -3.265 -8.696 14.757 1.00 13.22 N ATOM 794 CZ ARG A 51 -2.818 -7.764 13.958 1.00 21.44 C ATOM 795 NH1 ARG A 51 -2.720 -7.978 12.684 1.00 33.41 N ATOM 796 NH2 ARG A 51 -2.476 -6.615 14.438 1.00 0.12 N ATOM 0 H ARG A 51 -6.826 -12.039 16.195 1.00 71.12 H new ATOM 0 HA ARG A 51 -7.549 -11.244 13.485 1.00 30.11 H new ATOM 0 HB2 ARG A 51 -5.010 -12.460 14.669 1.00 31.41 H new ATOM 0 HB3 ARG A 51 -5.163 -11.846 13.035 1.00 31.41 H new ATOM 0 HG2 ARG A 51 -5.719 -9.573 14.018 1.00 64.03 H new ATOM 0 HG3 ARG A 51 -5.363 -10.228 15.604 1.00 64.03 H new ATOM 0 HD2 ARG A 51 -3.054 -10.776 14.876 1.00 5.42 H new ATOM 0 HD3 ARG A 51 -3.404 -10.165 13.271 1.00 5.42 H new ATOM 0 HE ARG A 51 -3.356 -8.470 15.747 1.00 13.22 H new ATOM 0 HH11 ARG A 51 -2.993 -8.881 12.296 1.00 33.41 H new ATOM 0 HH12 ARG A 51 -2.370 -7.244 12.069 1.00 33.41 H new ATOM 0 HH21 ARG A 51 -2.555 -6.437 15.439 1.00 0.12 H new ATOM 0 HH22 ARG A 51 -2.127 -5.886 13.816 1.00 0.12 H new ATOM 810 N HIS A 52 -8.404 -14.012 14.005 1.00 31.21 N ATOM 811 CA HIS A 52 -8.825 -15.335 13.523 1.00 75.25 C ATOM 812 C HIS A 52 -10.284 -15.308 13.043 1.00 52.22 C ATOM 813 O HIS A 52 -11.116 -14.607 13.619 1.00 60.32 O ATOM 814 CB HIS A 52 -8.703 -16.380 14.645 1.00 51.45 C ATOM 815 CG HIS A 52 -7.322 -16.556 15.189 1.00 52.25 C ATOM 816 ND1 HIS A 52 -6.680 -17.774 15.238 1.00 62.22 N ATOM 817 CD2 HIS A 52 -6.475 -15.671 15.757 1.00 50.23 C ATOM 818 CE1 HIS A 52 -5.504 -17.628 15.812 1.00 34.14 C ATOM 819 NE2 HIS A 52 -5.354 -16.361 16.136 1.00 1.15 N ATOM 0 H HIS A 52 -8.995 -13.632 14.745 1.00 31.21 H new ATOM 0 HA HIS A 52 -8.173 -15.601 12.691 1.00 75.25 H new ATOM 0 HB2 HIS A 52 -9.367 -16.095 15.461 1.00 51.45 H new ATOM 0 HB3 HIS A 52 -9.055 -17.340 14.268 1.00 51.45 H new ATOM 0 HD2 HIS A 52 -6.649 -14.613 15.888 1.00 50.23 H new ATOM 0 HE1 HIS A 52 -4.785 -18.414 15.987 1.00 34.14 H new ATOM 0 HE2 HIS A 52 -4.536 -15.959 16.594 1.00 1.15 H new ATOM 828 N PRO A 53 -10.625 -16.088 11.997 1.00 70.13 N ATOM 829 CA PRO A 53 -12.028 -16.272 11.587 1.00 53.22 C ATOM 830 C PRO A 53 -12.839 -16.985 12.682 1.00 75.51 C ATOM 831 O PRO A 53 -14.069 -16.959 12.692 1.00 31.53 O ATOM 832 CB PRO A 53 -11.925 -17.138 10.319 1.00 73.32 C ATOM 833 CG PRO A 53 -10.594 -17.807 10.415 1.00 3.02 C ATOM 834 CD PRO A 53 -9.692 -16.833 11.127 1.00 14.13 C ATOM 0 HA PRO A 53 -12.543 -15.328 11.413 1.00 53.22 H new ATOM 0 HB2 PRO A 53 -12.732 -17.869 10.274 1.00 73.32 H new ATOM 0 HB3 PRO A 53 -11.996 -16.529 9.418 1.00 73.32 H new ATOM 0 HG2 PRO A 53 -10.667 -18.745 10.965 1.00 3.02 H new ATOM 0 HG3 PRO A 53 -10.205 -18.047 9.425 1.00 3.02 H new ATOM 0 HD2 PRO A 53 -8.923 -17.345 11.705 1.00 14.13 H new ATOM 0 HD3 PRO A 53 -9.179 -16.173 10.427 1.00 14.13 H new ATOM 842 N ASP A 54 -12.116 -17.612 13.611 1.00 22.04 N ATOM 843 CA ASP A 54 -12.714 -18.316 14.748 1.00 23.33 C ATOM 844 C ASP A 54 -12.702 -17.444 16.018 1.00 63.43 C ATOM 845 O ASP A 54 -12.953 -17.940 17.115 1.00 13.11 O ATOM 846 CB ASP A 54 -11.925 -19.602 15.015 1.00 24.41 C ATOM 847 CG ASP A 54 -11.685 -20.410 13.755 1.00 12.54 C ATOM 848 OD1 ASP A 54 -12.527 -21.266 13.421 1.00 54.14 O ATOM 849 OD2 ASP A 54 -10.640 -20.200 13.098 1.00 4.34 O ATOM 0 H ASP A 54 -11.097 -17.646 13.597 1.00 22.04 H new ATOM 0 HA ASP A 54 -13.750 -18.547 14.500 1.00 23.33 H new ATOM 0 HB2 ASP A 54 -10.966 -19.349 15.468 1.00 24.41 H new ATOM 0 HB3 ASP A 54 -12.467 -20.213 15.737 1.00 24.41 H new ATOM 854 N ALA A 55 -12.418 -16.146 15.859 1.00 1.50 N ATOM 855 CA ALA A 55 -12.237 -15.234 16.999 1.00 5.30 C ATOM 856 C ALA A 55 -13.382 -15.321 18.024 1.00 5.10 C ATOM 857 O ALA A 55 -13.246 -15.971 19.063 1.00 5.34 O ATOM 858 CB ALA A 55 -12.078 -13.798 16.508 1.00 51.25 C ATOM 0 H ALA A 55 -12.308 -15.700 14.948 1.00 1.50 H new ATOM 0 HA ALA A 55 -11.328 -15.549 17.512 1.00 5.30 H new ATOM 0 HB1 ALA A 55 -11.945 -13.134 17.362 1.00 51.25 H new ATOM 0 HB2 ALA A 55 -11.207 -13.731 15.857 1.00 51.25 H new ATOM 0 HB3 ALA A 55 -12.969 -13.502 15.954 1.00 51.25 H new ATOM 864 N THR A 56 -14.517 -14.683 17.726 1.00 32.11 N ATOM 865 CA THR A 56 -15.641 -14.626 18.675 1.00 45.05 C ATOM 866 C THR A 56 -16.210 -16.019 18.971 1.00 34.35 C ATOM 867 O THR A 56 -16.832 -16.237 20.012 1.00 21.33 O ATOM 868 CB THR A 56 -16.783 -13.711 18.172 1.00 14.53 C ATOM 869 OG1 THR A 56 -17.805 -13.601 19.174 1.00 30.35 O ATOM 870 CG2 THR A 56 -17.391 -14.241 16.877 1.00 24.12 C ATOM 0 H THR A 56 -14.685 -14.201 16.843 1.00 32.11 H new ATOM 0 HA THR A 56 -15.232 -14.205 19.594 1.00 45.05 H new ATOM 0 HB THR A 56 -16.358 -12.727 17.973 1.00 14.53 H new ATOM 0 HG1 THR A 56 -18.522 -13.019 18.847 1.00 30.35 H new ATOM 0 HG21 THR A 56 -18.190 -13.575 16.551 1.00 24.12 H new ATOM 0 HG22 THR A 56 -16.621 -14.289 16.107 1.00 24.12 H new ATOM 0 HG23 THR A 56 -17.797 -15.238 17.047 1.00 24.12 H new ATOM 878 N SER A 57 -15.996 -16.956 18.049 1.00 43.13 N ATOM 879 CA SER A 57 -16.412 -18.351 18.245 1.00 50.41 C ATOM 880 C SER A 57 -15.653 -19.001 19.413 1.00 22.32 C ATOM 881 O SER A 57 -16.255 -19.584 20.319 1.00 4.43 O ATOM 882 CB SER A 57 -16.182 -19.159 16.963 1.00 30.40 C ATOM 883 OG SER A 57 -16.535 -20.521 17.141 1.00 63.42 O ATOM 0 H SER A 57 -15.536 -16.778 17.156 1.00 43.13 H new ATOM 0 HA SER A 57 -17.475 -18.351 18.486 1.00 50.41 H new ATOM 0 HB2 SER A 57 -16.771 -18.732 16.151 1.00 30.40 H new ATOM 0 HB3 SER A 57 -15.135 -19.088 16.669 1.00 30.40 H new ATOM 0 HG SER A 57 -16.379 -21.011 16.307 1.00 63.42 H new ATOM 889 N LYS A 58 -14.326 -18.888 19.396 1.00 51.11 N ATOM 890 CA LYS A 58 -13.490 -19.441 20.464 1.00 31.30 C ATOM 891 C LYS A 58 -13.642 -18.628 21.759 1.00 51.21 C ATOM 892 O LYS A 58 -13.560 -19.173 22.861 1.00 73.32 O ATOM 893 CB LYS A 58 -12.020 -19.484 20.026 1.00 14.14 C ATOM 894 CG LYS A 58 -11.783 -20.298 18.755 1.00 51.24 C ATOM 895 CD LYS A 58 -12.339 -21.717 18.870 1.00 5.32 C ATOM 896 CE LYS A 58 -12.069 -22.534 17.613 1.00 71.41 C ATOM 897 NZ LYS A 58 -10.616 -22.723 17.371 1.00 74.13 N ATOM 0 H LYS A 58 -13.805 -18.419 18.655 1.00 51.11 H new ATOM 0 HA LYS A 58 -13.824 -20.459 20.663 1.00 31.30 H new ATOM 0 HB2 LYS A 58 -11.668 -18.465 19.866 1.00 14.14 H new ATOM 0 HB3 LYS A 58 -11.421 -19.905 20.834 1.00 14.14 H new ATOM 0 HG2 LYS A 58 -12.250 -19.793 17.909 1.00 51.24 H new ATOM 0 HG3 LYS A 58 -10.714 -20.344 18.548 1.00 51.24 H new ATOM 0 HD2 LYS A 58 -11.891 -22.214 19.730 1.00 5.32 H new ATOM 0 HD3 LYS A 58 -13.413 -21.673 19.051 1.00 5.32 H new ATOM 0 HE2 LYS A 58 -12.551 -23.508 17.704 1.00 71.41 H new ATOM 0 HE3 LYS A 58 -12.517 -22.035 16.754 1.00 71.41 H new ATOM 0 HZ1 LYS A 58 -10.467 -23.584 16.806 1.00 74.13 H new ATOM 0 HZ2 LYS A 58 -10.240 -21.902 16.856 1.00 74.13 H new ATOM 0 HZ3 LYS A 58 -10.122 -22.816 18.281 1.00 74.13 H new ATOM 911 N ILE A 59 -13.866 -17.324 21.615 1.00 45.33 N ATOM 912 CA ILE A 59 -14.161 -16.453 22.758 1.00 4.21 C ATOM 913 C ILE A 59 -15.488 -16.855 23.429 1.00 4.22 C ATOM 914 O ILE A 59 -15.595 -16.888 24.659 1.00 44.12 O ATOM 915 CB ILE A 59 -14.234 -14.965 22.316 1.00 14.14 C ATOM 916 CG1 ILE A 59 -12.880 -14.512 21.737 1.00 62.24 C ATOM 917 CG2 ILE A 59 -14.654 -14.062 23.480 1.00 11.32 C ATOM 918 CD1 ILE A 59 -12.897 -13.118 21.143 1.00 64.25 C ATOM 0 H ILE A 59 -13.849 -16.843 20.716 1.00 45.33 H new ATOM 0 HA ILE A 59 -13.351 -16.571 23.477 1.00 4.21 H new ATOM 0 HB ILE A 59 -14.992 -14.879 21.538 1.00 14.14 H new ATOM 0 HG12 ILE A 59 -12.129 -14.550 22.526 1.00 62.24 H new ATOM 0 HG13 ILE A 59 -12.571 -15.220 20.968 1.00 62.24 H new ATOM 0 HG21 ILE A 59 -14.696 -13.027 23.141 1.00 11.32 H new ATOM 0 HG22 ILE A 59 -15.637 -14.366 23.840 1.00 11.32 H new ATOM 0 HG23 ILE A 59 -13.928 -14.149 24.288 1.00 11.32 H new ATOM 0 HD11 ILE A 59 -11.907 -12.875 20.757 1.00 64.25 H new ATOM 0 HD12 ILE A 59 -13.623 -13.077 20.331 1.00 64.25 H new ATOM 0 HD13 ILE A 59 -13.174 -12.398 21.913 1.00 64.25 H new ATOM 930 N GLY A 60 -16.491 -17.176 22.610 1.00 73.02 N ATOM 931 CA GLY A 60 -17.809 -17.528 23.128 1.00 53.42 C ATOM 932 C GLY A 60 -18.471 -16.372 23.872 1.00 14.33 C ATOM 933 O GLY A 60 -18.703 -15.310 23.286 1.00 70.20 O ATOM 0 H GLY A 60 -16.415 -17.199 21.593 1.00 73.02 H new ATOM 0 HA2 GLY A 60 -18.449 -17.839 22.303 1.00 53.42 H new ATOM 0 HA3 GLY A 60 -17.716 -18.382 23.799 1.00 53.42 H new ATOM 937 N PRO A 61 -18.793 -16.540 25.168 1.00 64.21 N ATOM 938 CA PRO A 61 -19.307 -15.437 25.998 1.00 73.53 C ATOM 939 C PRO A 61 -18.250 -14.340 26.219 1.00 45.13 C ATOM 940 O PRO A 61 -18.522 -13.148 26.046 1.00 62.25 O ATOM 941 CB PRO A 61 -19.669 -16.126 27.326 1.00 1.45 C ATOM 942 CG PRO A 61 -18.832 -17.362 27.356 1.00 12.33 C ATOM 943 CD PRO A 61 -18.705 -17.807 25.922 1.00 70.10 C ATOM 0 HA PRO A 61 -20.150 -14.927 25.532 1.00 73.53 H new ATOM 0 HB2 PRO A 61 -19.453 -15.481 28.178 1.00 1.45 H new ATOM 0 HB3 PRO A 61 -20.731 -16.367 27.370 1.00 1.45 H new ATOM 0 HG2 PRO A 61 -17.853 -17.161 27.791 1.00 12.33 H new ATOM 0 HG3 PRO A 61 -19.299 -18.136 27.966 1.00 12.33 H new ATOM 0 HD2 PRO A 61 -17.760 -18.319 25.741 1.00 70.10 H new ATOM 0 HD3 PRO A 61 -19.500 -18.498 25.643 1.00 70.10 H new ATOM 951 N GLY A 62 -17.037 -14.762 26.572 1.00 72.11 N ATOM 952 CA GLY A 62 -15.958 -13.823 26.843 1.00 73.22 C ATOM 953 C GLY A 62 -14.696 -14.509 27.359 1.00 24.13 C ATOM 954 O GLY A 62 -14.765 -15.591 27.947 1.00 65.01 O ATOM 0 H GLY A 62 -16.781 -15.744 26.676 1.00 72.11 H new ATOM 0 HA2 GLY A 62 -15.722 -13.275 25.931 1.00 73.22 H new ATOM 0 HA3 GLY A 62 -16.295 -13.091 27.577 1.00 73.22 H new ATOM 958 N VAL A 63 -13.540 -13.883 27.141 1.00 33.42 N ATOM 959 CA VAL A 63 -12.263 -14.429 27.611 1.00 64.52 C ATOM 960 C VAL A 63 -11.993 -14.035 29.071 1.00 55.54 C ATOM 961 O VAL A 63 -12.030 -12.852 29.425 1.00 61.21 O ATOM 962 CB VAL A 63 -11.080 -13.949 26.731 1.00 62.03 C ATOM 963 CG1 VAL A 63 -9.758 -14.536 27.231 1.00 11.53 C ATOM 964 CG2 VAL A 63 -11.316 -14.308 25.265 1.00 3.10 C ATOM 0 H VAL A 63 -13.459 -12.997 26.642 1.00 33.42 H new ATOM 0 HA VAL A 63 -12.341 -15.514 27.539 1.00 64.52 H new ATOM 0 HB VAL A 63 -11.017 -12.863 26.807 1.00 62.03 H new ATOM 0 HG11 VAL A 63 -8.942 -14.186 26.599 1.00 11.53 H new ATOM 0 HG12 VAL A 63 -9.584 -14.217 28.258 1.00 11.53 H new ATOM 0 HG13 VAL A 63 -9.805 -15.624 27.192 1.00 11.53 H new ATOM 0 HG21 VAL A 63 -10.474 -13.962 24.666 1.00 3.10 H new ATOM 0 HG22 VAL A 63 -11.412 -15.389 25.166 1.00 3.10 H new ATOM 0 HG23 VAL A 63 -12.231 -13.829 24.916 1.00 3.10 H new ATOM 974 N ARG A 64 -11.728 -15.031 29.914 1.00 72.25 N ATOM 975 CA ARG A 64 -11.413 -14.792 31.326 1.00 60.03 C ATOM 976 C ARG A 64 -9.890 -14.704 31.529 1.00 24.14 C ATOM 977 O ARG A 64 -9.385 -13.767 32.150 1.00 13.03 O ATOM 978 CB ARG A 64 -12.004 -15.915 32.195 1.00 43.01 C ATOM 979 CG ARG A 64 -11.993 -15.619 33.695 1.00 73.50 C ATOM 980 CD ARG A 64 -12.850 -14.401 34.037 1.00 71.30 C ATOM 981 NE ARG A 64 -12.974 -14.198 35.479 1.00 53.45 N ATOM 982 CZ ARG A 64 -13.574 -13.174 36.031 1.00 4.42 C ATOM 983 NH1 ARG A 64 -14.061 -12.220 35.301 1.00 54.12 N ATOM 984 NH2 ARG A 64 -13.664 -13.098 37.319 1.00 24.10 N ATOM 0 H ARG A 64 -11.725 -16.015 29.645 1.00 72.25 H new ATOM 0 HA ARG A 64 -11.856 -13.843 31.628 1.00 60.03 H new ATOM 0 HB2 ARG A 64 -13.031 -16.100 31.880 1.00 43.01 H new ATOM 0 HB3 ARG A 64 -11.444 -16.833 32.013 1.00 43.01 H new ATOM 0 HG2 ARG A 64 -12.362 -16.488 34.240 1.00 73.50 H new ATOM 0 HG3 ARG A 64 -10.968 -15.447 34.025 1.00 73.50 H new ATOM 0 HD2 ARG A 64 -12.412 -13.512 33.583 1.00 71.30 H new ATOM 0 HD3 ARG A 64 -13.842 -14.524 33.603 1.00 71.30 H new ATOM 0 HE ARG A 64 -12.566 -14.901 36.096 1.00 53.45 H new ATOM 0 HH11 ARG A 64 -13.979 -12.262 34.285 1.00 54.12 H new ATOM 0 HH12 ARG A 64 -14.526 -11.427 35.742 1.00 54.12 H new ATOM 0 HH21 ARG A 64 -13.268 -13.835 37.902 1.00 24.10 H new ATOM 0 HH22 ARG A 64 -14.131 -12.301 37.751 1.00 24.10 H new ATOM 998 N ASN A 65 -9.168 -15.689 30.992 1.00 14.21 N ATOM 999 CA ASN A 65 -7.700 -15.708 31.047 1.00 24.23 C ATOM 1000 C ASN A 65 -7.125 -16.724 30.046 1.00 75.35 C ATOM 1001 O ASN A 65 -7.856 -17.319 29.252 1.00 22.00 O ATOM 1002 CB ASN A 65 -7.208 -16.043 32.467 1.00 53.43 C ATOM 1003 CG ASN A 65 -7.682 -17.406 32.948 1.00 22.30 C ATOM 1004 OD1 ASN A 65 -7.059 -18.423 32.678 1.00 34.44 O ATOM 1005 ND2 ASN A 65 -8.771 -17.436 33.685 1.00 45.30 N ATOM 0 H ASN A 65 -9.577 -16.490 30.511 1.00 14.21 H new ATOM 0 HA ASN A 65 -7.348 -14.712 30.778 1.00 24.23 H new ATOM 0 HB2 ASN A 65 -6.119 -16.015 32.485 1.00 53.43 H new ATOM 0 HB3 ASN A 65 -7.558 -15.277 33.158 1.00 53.43 H new ATOM 0 HD21 ASN A 65 -9.117 -18.324 34.048 1.00 45.30 H new ATOM 0 HD22 ASN A 65 -9.270 -16.571 33.894 1.00 45.30 H new ATOM 1012 N PHE A 66 -5.810 -16.907 30.088 1.00 12.04 N ATOM 1013 CA PHE A 66 -5.128 -17.917 29.268 1.00 42.02 C ATOM 1014 C PHE A 66 -4.219 -18.791 30.139 1.00 41.23 C ATOM 1015 O PHE A 66 -3.696 -18.332 31.151 1.00 53.45 O ATOM 1016 CB PHE A 66 -4.288 -17.250 28.169 1.00 40.32 C ATOM 1017 CG PHE A 66 -5.094 -16.613 27.062 1.00 53.53 C ATOM 1018 CD1 PHE A 66 -5.641 -15.346 27.214 1.00 45.54 C ATOM 1019 CD2 PHE A 66 -5.295 -17.282 25.861 1.00 30.24 C ATOM 1020 CE1 PHE A 66 -6.369 -14.763 26.193 1.00 24.14 C ATOM 1021 CE2 PHE A 66 -6.023 -16.702 24.840 1.00 70.03 C ATOM 1022 CZ PHE A 66 -6.561 -15.442 25.006 1.00 33.35 C ATOM 0 H PHE A 66 -5.185 -16.366 30.686 1.00 12.04 H new ATOM 0 HA PHE A 66 -5.892 -18.541 28.804 1.00 42.02 H new ATOM 0 HB2 PHE A 66 -3.656 -16.488 28.625 1.00 40.32 H new ATOM 0 HB3 PHE A 66 -3.624 -17.997 27.734 1.00 40.32 H new ATOM 0 HD1 PHE A 66 -5.496 -14.810 28.140 1.00 45.54 H new ATOM 0 HD2 PHE A 66 -4.877 -18.268 25.724 1.00 30.24 H new ATOM 0 HE1 PHE A 66 -6.788 -13.776 26.324 1.00 24.14 H new ATOM 0 HE2 PHE A 66 -6.171 -17.235 23.912 1.00 70.03 H new ATOM 0 HZ PHE A 66 -7.131 -14.988 24.209 1.00 33.35 H new ATOM 1032 N GLU A 67 -4.028 -20.042 29.741 1.00 45.54 N ATOM 1033 CA GLU A 67 -3.129 -20.955 30.462 1.00 41.11 C ATOM 1034 C GLU A 67 -2.046 -21.516 29.532 1.00 31.24 C ATOM 1035 O GLU A 67 -2.304 -21.803 28.363 1.00 71.13 O ATOM 1036 CB GLU A 67 -3.921 -22.116 31.085 1.00 24.32 C ATOM 1037 CG GLU A 67 -3.048 -23.115 31.846 1.00 75.11 C ATOM 1038 CD GLU A 67 -3.831 -24.314 32.360 1.00 62.21 C ATOM 1039 OE1 GLU A 67 -4.243 -25.153 31.535 1.00 2.04 O ATOM 1040 OE2 GLU A 67 -4.033 -24.427 33.588 1.00 1.10 O ATOM 0 H GLU A 67 -4.480 -20.454 28.925 1.00 45.54 H new ATOM 0 HA GLU A 67 -2.647 -20.382 31.254 1.00 41.11 H new ATOM 0 HB2 GLU A 67 -4.670 -21.710 31.764 1.00 24.32 H new ATOM 0 HB3 GLU A 67 -4.458 -22.643 30.296 1.00 24.32 H new ATOM 0 HG2 GLU A 67 -2.248 -23.463 31.192 1.00 75.11 H new ATOM 0 HG3 GLU A 67 -2.574 -22.609 32.687 1.00 75.11 H new ATOM 1047 N VAL A 68 -0.833 -21.662 30.055 1.00 31.24 N ATOM 1048 CA VAL A 68 0.263 -22.275 29.303 1.00 41.35 C ATOM 1049 C VAL A 68 0.483 -23.726 29.750 1.00 74.50 C ATOM 1050 O VAL A 68 1.085 -23.986 30.791 1.00 21.43 O ATOM 1051 CB VAL A 68 1.573 -21.468 29.470 1.00 50.31 C ATOM 1052 CG1 VAL A 68 2.751 -22.180 28.809 1.00 4.32 C ATOM 1053 CG2 VAL A 68 1.405 -20.059 28.903 1.00 54.53 C ATOM 0 H VAL A 68 -0.581 -21.365 30.998 1.00 31.24 H new ATOM 0 HA VAL A 68 -0.015 -22.269 28.249 1.00 41.35 H new ATOM 0 HB VAL A 68 1.789 -21.391 30.536 1.00 50.31 H new ATOM 0 HG11 VAL A 68 3.656 -21.588 28.944 1.00 4.32 H new ATOM 0 HG12 VAL A 68 2.887 -23.160 29.266 1.00 4.32 H new ATOM 0 HG13 VAL A 68 2.552 -22.301 27.744 1.00 4.32 H new ATOM 0 HG21 VAL A 68 2.334 -19.503 29.028 1.00 54.53 H new ATOM 0 HG22 VAL A 68 1.158 -20.120 27.843 1.00 54.53 H new ATOM 0 HG23 VAL A 68 0.602 -19.547 29.433 1.00 54.53 H new ATOM 1063 N ARG A 69 -0.019 -24.670 28.958 1.00 62.31 N ATOM 1064 CA ARG A 69 0.065 -26.096 29.304 1.00 33.42 C ATOM 1065 C ARG A 69 0.705 -26.914 28.171 1.00 30.52 C ATOM 1066 O ARG A 69 0.532 -26.604 26.988 1.00 12.50 O ATOM 1067 CB ARG A 69 -1.341 -26.643 29.605 1.00 75.24 C ATOM 1068 CG ARG A 69 -1.359 -28.088 30.100 1.00 24.03 C ATOM 1069 CD ARG A 69 -2.780 -28.642 30.201 1.00 72.41 C ATOM 1070 NE ARG A 69 -3.643 -27.820 31.050 1.00 52.01 N ATOM 1071 CZ ARG A 69 -4.610 -28.287 31.795 1.00 63.22 C ATOM 1072 NH1 ARG A 69 -4.869 -29.556 31.831 1.00 1.11 N ATOM 1073 NH2 ARG A 69 -5.324 -27.470 32.494 1.00 42.45 N ATOM 0 H ARG A 69 -0.488 -24.479 28.073 1.00 62.31 H new ATOM 0 HA ARG A 69 0.696 -26.190 30.188 1.00 33.42 H new ATOM 0 HB2 ARG A 69 -1.813 -26.008 30.355 1.00 75.24 H new ATOM 0 HB3 ARG A 69 -1.947 -26.573 28.702 1.00 75.24 H new ATOM 0 HG2 ARG A 69 -0.775 -28.710 29.422 1.00 24.03 H new ATOM 0 HG3 ARG A 69 -0.879 -28.142 31.077 1.00 24.03 H new ATOM 0 HD2 ARG A 69 -3.213 -28.707 29.203 1.00 72.41 H new ATOM 0 HD3 ARG A 69 -2.744 -29.656 30.599 1.00 72.41 H new ATOM 0 HE ARG A 69 -3.479 -26.813 31.061 1.00 52.01 H new ATOM 0 HH11 ARG A 69 -4.315 -30.206 31.273 1.00 1.11 H new ATOM 0 HH12 ARG A 69 -5.627 -29.905 32.417 1.00 1.11 H new ATOM 0 HH21 ARG A 69 -5.132 -26.469 32.462 1.00 42.45 H new ATOM 0 HH22 ARG A 69 -6.081 -27.826 33.078 1.00 42.45 H new ATOM 1087 N SER A 70 1.443 -27.959 28.541 1.00 0.12 N ATOM 1088 CA SER A 70 2.020 -28.892 27.564 1.00 10.24 C ATOM 1089 C SER A 70 0.945 -29.850 27.032 1.00 25.10 C ATOM 1090 O SER A 70 0.224 -30.474 27.811 1.00 61.33 O ATOM 1091 CB SER A 70 3.160 -29.693 28.205 1.00 32.25 C ATOM 1092 OG SER A 70 2.717 -30.365 29.376 1.00 20.14 O ATOM 0 H SER A 70 1.658 -28.185 29.512 1.00 0.12 H new ATOM 0 HA SER A 70 2.416 -28.313 26.730 1.00 10.24 H new ATOM 0 HB2 SER A 70 3.546 -30.419 27.489 1.00 32.25 H new ATOM 0 HB3 SER A 70 3.983 -29.024 28.455 1.00 32.25 H new ATOM 0 HG SER A 70 1.787 -30.650 29.257 1.00 20.14 H new ATOM 1162 N GLN A 76 4.134 -27.028 23.995 1.00 63.42 N ATOM 1163 CA GLN A 76 3.158 -26.249 24.769 1.00 21.43 C ATOM 1164 C GLN A 76 2.150 -25.537 23.852 1.00 21.32 C ATOM 1165 O GLN A 76 2.373 -25.403 22.649 1.00 43.51 O ATOM 1166 CB GLN A 76 3.884 -25.203 25.624 1.00 42.45 C ATOM 1167 CG GLN A 76 4.795 -25.782 26.699 1.00 1.12 C ATOM 1168 CD GLN A 76 5.688 -24.719 27.320 1.00 24.53 C ATOM 1169 OE1 GLN A 76 6.801 -24.494 26.869 1.00 22.21 O ATOM 1170 NE2 GLN A 76 5.202 -24.043 28.340 1.00 2.14 N ATOM 0 HA GLN A 76 2.613 -26.944 25.408 1.00 21.43 H new ATOM 0 HB2 GLN A 76 4.477 -24.566 24.968 1.00 42.45 H new ATOM 0 HB3 GLN A 76 3.141 -24.565 26.102 1.00 42.45 H new ATOM 0 HG2 GLN A 76 4.189 -26.246 27.477 1.00 1.12 H new ATOM 0 HG3 GLN A 76 5.414 -26.568 26.266 1.00 1.12 H new ATOM 0 HE21 GLN A 76 4.269 -24.254 28.694 1.00 2.14 H new ATOM 0 HE22 GLN A 76 5.759 -23.308 28.776 1.00 2.14 H new ATOM 1179 N CYS A 77 1.046 -25.075 24.432 1.00 42.30 N ATOM 1180 CA CYS A 77 0.044 -24.287 23.695 1.00 12.31 C ATOM 1181 C CYS A 77 -0.641 -23.269 24.614 1.00 24.51 C ATOM 1182 O CYS A 77 -0.728 -23.473 25.828 1.00 43.50 O ATOM 1183 CB CYS A 77 -1.016 -25.199 23.053 1.00 54.21 C ATOM 1184 SG CYS A 77 -0.398 -26.231 21.701 1.00 72.20 S ATOM 0 H CYS A 77 0.816 -25.230 25.414 1.00 42.30 H new ATOM 0 HA CYS A 77 0.570 -23.751 22.905 1.00 12.31 H new ATOM 0 HB2 CYS A 77 -1.436 -25.845 23.824 1.00 54.21 H new ATOM 0 HB3 CYS A 77 -1.831 -24.580 22.677 1.00 54.21 H new ATOM 0 HG CYS A 77 0.901 -26.264 21.739 1.00 72.20 H new ATOM 1190 N PHE A 78 -1.110 -22.166 24.031 1.00 22.14 N ATOM 1191 CA PHE A 78 -1.875 -21.160 24.775 1.00 31.40 C ATOM 1192 C PHE A 78 -3.363 -21.538 24.820 1.00 42.11 C ATOM 1193 O PHE A 78 -4.040 -21.568 23.790 1.00 61.11 O ATOM 1194 CB PHE A 78 -1.708 -19.771 24.138 1.00 43.35 C ATOM 1195 CG PHE A 78 -0.298 -19.227 24.198 1.00 63.11 C ATOM 1196 CD1 PHE A 78 0.172 -18.613 25.351 1.00 62.21 C ATOM 1197 CD2 PHE A 78 0.554 -19.323 23.103 1.00 72.42 C ATOM 1198 CE1 PHE A 78 1.457 -18.107 25.412 1.00 32.12 C ATOM 1199 CE2 PHE A 78 1.839 -18.817 23.159 1.00 12.34 C ATOM 1200 CZ PHE A 78 2.291 -18.209 24.315 1.00 11.21 C ATOM 0 H PHE A 78 -0.974 -21.944 23.045 1.00 22.14 H new ATOM 0 HA PHE A 78 -1.489 -21.127 25.794 1.00 31.40 H new ATOM 0 HB2 PHE A 78 -2.022 -19.822 23.095 1.00 43.35 H new ATOM 0 HB3 PHE A 78 -2.377 -19.071 24.639 1.00 43.35 H new ATOM 0 HD1 PHE A 78 -0.475 -18.530 26.212 1.00 62.21 H new ATOM 0 HD2 PHE A 78 0.207 -19.799 22.198 1.00 72.42 H new ATOM 0 HE1 PHE A 78 1.809 -17.632 26.316 1.00 32.12 H new ATOM 0 HE2 PHE A 78 2.489 -18.897 22.300 1.00 12.34 H new ATOM 0 HZ PHE A 78 3.295 -17.814 24.361 1.00 11.21 H new ATOM 1210 N TRP A 79 -3.860 -21.841 26.014 1.00 23.35 N ATOM 1211 CA TRP A 79 -5.256 -22.246 26.196 1.00 63.40 C ATOM 1212 C TRP A 79 -6.165 -21.047 26.493 1.00 43.23 C ATOM 1213 O TRP A 79 -5.907 -20.268 27.411 1.00 15.41 O ATOM 1214 CB TRP A 79 -5.360 -23.271 27.331 1.00 2.22 C ATOM 1215 CG TRP A 79 -4.632 -24.553 27.041 1.00 70.53 C ATOM 1216 CD1 TRP A 79 -3.294 -24.788 27.187 1.00 42.11 C ATOM 1217 CD2 TRP A 79 -5.202 -25.775 26.553 1.00 4.10 C ATOM 1218 NE1 TRP A 79 -2.997 -26.075 26.808 1.00 24.43 N ATOM 1219 CE2 TRP A 79 -4.153 -26.703 26.423 1.00 11.33 C ATOM 1220 CE3 TRP A 79 -6.498 -26.174 26.218 1.00 52.04 C ATOM 1221 CZ2 TRP A 79 -4.358 -28.003 25.968 1.00 41.21 C ATOM 1222 CZ3 TRP A 79 -6.702 -27.464 25.766 1.00 65.04 C ATOM 1223 CH2 TRP A 79 -5.637 -28.366 25.648 1.00 60.21 C ATOM 0 H TRP A 79 -3.317 -21.815 26.877 1.00 23.35 H new ATOM 0 HA TRP A 79 -5.593 -22.695 25.262 1.00 63.40 H new ATOM 0 HB2 TRP A 79 -4.960 -22.833 28.245 1.00 2.22 H new ATOM 0 HB3 TRP A 79 -6.411 -23.492 27.517 1.00 2.22 H new ATOM 0 HD1 TRP A 79 -2.575 -24.067 27.548 1.00 42.11 H new ATOM 0 HE1 TRP A 79 -2.067 -26.495 26.812 1.00 24.43 H new ATOM 0 HE3 TRP A 79 -7.326 -25.487 26.311 1.00 52.04 H new ATOM 0 HZ2 TRP A 79 -3.538 -28.699 25.871 1.00 41.21 H new ATOM 0 HZ3 TRP A 79 -7.699 -27.782 25.499 1.00 65.04 H new ATOM 0 HH2 TRP A 79 -5.830 -29.369 25.297 1.00 60.21 H new ATOM 1234 N ILE A 80 -7.229 -20.915 25.708 1.00 51.54 N ATOM 1235 CA ILE A 80 -8.220 -19.850 25.887 1.00 62.40 C ATOM 1236 C ILE A 80 -9.247 -20.227 26.967 1.00 73.45 C ATOM 1237 O ILE A 80 -10.136 -21.044 26.723 1.00 32.41 O ATOM 1238 CB ILE A 80 -8.983 -19.573 24.562 1.00 23.51 C ATOM 1239 CG1 ILE A 80 -7.997 -19.379 23.398 1.00 13.32 C ATOM 1240 CG2 ILE A 80 -9.900 -18.353 24.707 1.00 43.14 C ATOM 1241 CD1 ILE A 80 -8.661 -19.271 22.040 1.00 25.12 C ATOM 0 H ILE A 80 -7.432 -21.541 24.929 1.00 51.54 H new ATOM 0 HA ILE A 80 -7.676 -18.956 26.194 1.00 62.40 H new ATOM 0 HB ILE A 80 -9.606 -20.440 24.340 1.00 23.51 H new ATOM 0 HG12 ILE A 80 -7.412 -18.477 23.578 1.00 13.32 H new ATOM 0 HG13 ILE A 80 -7.298 -20.215 23.384 1.00 13.32 H new ATOM 0 HG21 ILE A 80 -10.424 -18.178 23.767 1.00 43.14 H new ATOM 0 HG22 ILE A 80 -10.626 -18.536 25.499 1.00 43.14 H new ATOM 0 HG23 ILE A 80 -9.303 -17.477 24.958 1.00 43.14 H new ATOM 0 HD11 ILE A 80 -7.899 -19.136 21.272 1.00 25.12 H new ATOM 0 HD12 ILE A 80 -9.224 -20.182 21.837 1.00 25.12 H new ATOM 0 HD13 ILE A 80 -9.339 -18.417 22.033 1.00 25.12 H new ATOM 1253 N LEU A 81 -9.123 -19.647 28.156 1.00 10.02 N ATOM 1254 CA LEU A 81 -10.081 -19.909 29.235 1.00 20.20 C ATOM 1255 C LEU A 81 -11.286 -18.960 29.153 1.00 4.35 C ATOM 1256 O LEU A 81 -11.205 -17.792 29.547 1.00 11.51 O ATOM 1257 CB LEU A 81 -9.407 -19.795 30.617 1.00 13.15 C ATOM 1258 CG LEU A 81 -8.527 -20.989 31.039 1.00 10.24 C ATOM 1259 CD1 LEU A 81 -9.346 -22.278 31.078 1.00 74.42 C ATOM 1260 CD2 LEU A 81 -7.320 -21.140 30.114 1.00 63.01 C ATOM 0 H LEU A 81 -8.376 -18.997 28.400 1.00 10.02 H new ATOM 0 HA LEU A 81 -10.440 -20.930 29.109 1.00 20.20 H new ATOM 0 HB2 LEU A 81 -8.793 -18.895 30.627 1.00 13.15 H new ATOM 0 HB3 LEU A 81 -10.185 -19.658 31.369 1.00 13.15 H new ATOM 0 HG LEU A 81 -8.154 -20.791 32.044 1.00 10.24 H new ATOM 0 HD11 LEU A 81 -8.705 -23.107 31.378 1.00 74.42 H new ATOM 0 HD12 LEU A 81 -10.160 -22.170 31.795 1.00 74.42 H new ATOM 0 HD13 LEU A 81 -9.758 -22.477 30.089 1.00 74.42 H new ATOM 0 HD21 LEU A 81 -6.718 -21.990 30.437 1.00 63.01 H new ATOM 0 HD22 LEU A 81 -7.663 -21.305 29.093 1.00 63.01 H new ATOM 0 HD23 LEU A 81 -6.717 -20.233 30.152 1.00 63.01 H new ATOM 1272 N ARG A 82 -12.395 -19.464 28.615 1.00 4.44 N ATOM 1273 CA ARG A 82 -13.654 -18.715 28.582 1.00 40.32 C ATOM 1274 C ARG A 82 -14.173 -18.454 30.005 1.00 13.22 C ATOM 1275 O ARG A 82 -13.912 -19.236 30.920 1.00 34.42 O ATOM 1276 CB ARG A 82 -14.723 -19.508 27.811 1.00 73.34 C ATOM 1277 CG ARG A 82 -14.445 -19.700 26.320 1.00 45.45 C ATOM 1278 CD ARG A 82 -15.480 -20.631 25.682 1.00 74.23 C ATOM 1279 NE ARG A 82 -15.399 -20.646 24.223 1.00 14.11 N ATOM 1280 CZ ARG A 82 -15.809 -21.635 23.471 1.00 33.14 C ATOM 1281 NH1 ARG A 82 -16.254 -22.729 24.002 1.00 74.12 N ATOM 1282 NH2 ARG A 82 -15.773 -21.528 22.184 1.00 41.52 N ATOM 0 H ARG A 82 -12.449 -20.391 28.194 1.00 4.44 H new ATOM 0 HA ARG A 82 -13.461 -17.764 28.086 1.00 40.32 H new ATOM 0 HB2 ARG A 82 -14.828 -20.489 28.274 1.00 73.34 H new ATOM 0 HB3 ARG A 82 -15.680 -18.999 27.923 1.00 73.34 H new ATOM 0 HG2 ARG A 82 -14.461 -18.733 25.816 1.00 45.45 H new ATOM 0 HG3 ARG A 82 -13.446 -20.114 26.183 1.00 45.45 H new ATOM 0 HD2 ARG A 82 -15.335 -21.643 26.061 1.00 74.23 H new ATOM 0 HD3 ARG A 82 -16.480 -20.318 25.983 1.00 74.23 H new ATOM 0 HE ARG A 82 -14.996 -19.831 23.760 1.00 14.11 H new ATOM 0 HH11 ARG A 82 -16.288 -22.826 25.017 1.00 74.12 H new ATOM 0 HH12 ARG A 82 -16.571 -23.493 23.405 1.00 74.12 H new ATOM 0 HH21 ARG A 82 -15.425 -20.672 21.753 1.00 41.52 H new ATOM 0 HH22 ARG A 82 -16.093 -22.300 21.599 1.00 41.52 H new ATOM 1296 N THR A 83 -14.920 -17.367 30.189 1.00 55.42 N ATOM 1297 CA THR A 83 -15.625 -17.126 31.457 1.00 0.24 C ATOM 1298 C THR A 83 -16.559 -18.304 31.767 1.00 4.20 C ATOM 1299 O THR A 83 -16.773 -18.672 32.923 1.00 11.15 O ATOM 1300 CB THR A 83 -16.460 -15.826 31.404 1.00 54.54 C ATOM 1301 OG1 THR A 83 -17.403 -15.897 30.324 1.00 11.34 O ATOM 1302 CG2 THR A 83 -15.568 -14.600 31.221 1.00 5.42 C ATOM 0 H THR A 83 -15.055 -16.641 29.485 1.00 55.42 H new ATOM 0 HA THR A 83 -14.872 -17.024 32.238 1.00 0.24 H new ATOM 0 HB THR A 83 -16.989 -15.727 32.352 1.00 54.54 H new ATOM 0 HG1 THR A 83 -17.931 -15.072 30.296 1.00 11.34 H new ATOM 0 HG21 THR A 83 -16.186 -13.702 31.188 1.00 5.42 H new ATOM 0 HG22 THR A 83 -14.870 -14.530 32.056 1.00 5.42 H new ATOM 0 HG23 THR A 83 -15.010 -14.692 30.289 1.00 5.42 H new ATOM 1310 N ASP A 84 -17.094 -18.888 30.697 1.00 64.31 N ATOM 1311 CA ASP A 84 -17.908 -20.105 30.761 1.00 52.20 C ATOM 1312 C ASP A 84 -17.167 -21.271 31.451 1.00 32.01 C ATOM 1313 O ASP A 84 -17.788 -22.132 32.077 1.00 20.34 O ATOM 1314 CB ASP A 84 -18.302 -20.498 29.331 1.00 14.15 C ATOM 1315 CG ASP A 84 -19.021 -21.830 29.255 1.00 41.14 C ATOM 1316 OD1 ASP A 84 -20.244 -21.862 29.487 1.00 71.31 O ATOM 1317 OD2 ASP A 84 -18.361 -22.850 28.958 1.00 5.14 O ATOM 0 H ASP A 84 -16.975 -18.528 29.750 1.00 64.31 H new ATOM 0 HA ASP A 84 -18.793 -19.899 31.362 1.00 52.20 H new ATOM 0 HB2 ASP A 84 -18.942 -19.722 28.911 1.00 14.15 H new ATOM 0 HB3 ASP A 84 -17.405 -20.540 28.713 1.00 14.15 H new ATOM 1322 N GLY A 85 -15.839 -21.296 31.330 1.00 63.34 N ATOM 1323 CA GLY A 85 -15.044 -22.376 31.913 1.00 64.04 C ATOM 1324 C GLY A 85 -14.355 -23.246 30.865 1.00 55.10 C ATOM 1325 O GLY A 85 -13.231 -23.705 31.073 1.00 52.22 O ATOM 0 H GLY A 85 -15.296 -20.587 30.838 1.00 63.34 H new ATOM 0 HA2 GLY A 85 -14.290 -21.948 32.574 1.00 64.04 H new ATOM 0 HA3 GLY A 85 -15.689 -23.002 32.529 1.00 64.04 H new ATOM 1329 N SER A 86 -15.031 -23.476 29.741 1.00 42.25 N ATOM 1330 CA SER A 86 -14.471 -24.277 28.637 1.00 24.13 C ATOM 1331 C SER A 86 -13.202 -23.638 28.050 1.00 34.33 C ATOM 1332 O SER A 86 -13.104 -22.413 27.940 1.00 75.02 O ATOM 1333 CB SER A 86 -15.513 -24.459 27.524 1.00 30.55 C ATOM 1334 OG SER A 86 -16.671 -25.130 28.002 1.00 45.12 O ATOM 0 H SER A 86 -15.971 -23.121 29.564 1.00 42.25 H new ATOM 0 HA SER A 86 -14.202 -25.249 29.051 1.00 24.13 H new ATOM 0 HB2 SER A 86 -15.794 -23.485 27.124 1.00 30.55 H new ATOM 0 HB3 SER A 86 -15.075 -25.026 26.703 1.00 30.55 H new ATOM 0 HG SER A 86 -17.317 -24.472 28.334 1.00 45.12 H new ATOM 1340 N GLU A 87 -12.242 -24.479 27.657 1.00 22.12 N ATOM 1341 CA GLU A 87 -10.961 -24.005 27.114 1.00 24.21 C ATOM 1342 C GLU A 87 -10.734 -24.489 25.671 1.00 61.11 C ATOM 1343 O GLU A 87 -11.328 -25.474 25.228 1.00 10.32 O ATOM 1344 CB GLU A 87 -9.790 -24.466 28.004 1.00 13.22 C ATOM 1345 CG GLU A 87 -9.563 -25.981 28.036 1.00 61.03 C ATOM 1346 CD GLU A 87 -10.629 -26.740 28.815 1.00 4.32 C ATOM 1347 OE1 GLU A 87 -10.483 -26.885 30.047 1.00 15.11 O ATOM 1348 OE2 GLU A 87 -11.615 -27.206 28.199 1.00 62.44 O ATOM 0 H GLU A 87 -12.326 -25.494 27.704 1.00 22.12 H new ATOM 0 HA GLU A 87 -11.003 -22.916 27.103 1.00 24.21 H new ATOM 0 HB2 GLU A 87 -8.876 -23.983 27.656 1.00 13.22 H new ATOM 0 HB3 GLU A 87 -9.967 -24.118 29.022 1.00 13.22 H new ATOM 0 HG2 GLU A 87 -9.535 -26.358 27.014 1.00 61.03 H new ATOM 0 HG3 GLU A 87 -8.588 -26.185 28.478 1.00 61.03 H new ATOM 1355 N GLU A 88 -9.867 -23.786 24.942 1.00 53.10 N ATOM 1356 CA GLU A 88 -9.525 -24.152 23.559 1.00 62.33 C ATOM 1357 C GLU A 88 -8.051 -23.805 23.268 1.00 11.20 C ATOM 1358 O GLU A 88 -7.563 -22.756 23.679 1.00 51.51 O ATOM 1359 CB GLU A 88 -10.464 -23.418 22.580 1.00 21.22 C ATOM 1360 CG GLU A 88 -10.752 -24.173 21.280 1.00 33.41 C ATOM 1361 CD GLU A 88 -9.541 -24.322 20.368 1.00 34.43 C ATOM 1362 OE1 GLU A 88 -9.228 -23.363 19.628 1.00 63.03 O ATOM 1363 OE2 GLU A 88 -8.909 -25.404 20.377 1.00 74.30 O ATOM 0 H GLU A 88 -9.384 -22.955 25.284 1.00 53.10 H new ATOM 0 HA GLU A 88 -9.655 -25.226 23.427 1.00 62.33 H new ATOM 0 HB2 GLU A 88 -11.409 -23.219 23.085 1.00 21.22 H new ATOM 0 HB3 GLU A 88 -10.025 -22.451 22.333 1.00 21.22 H new ATOM 0 HG2 GLU A 88 -11.134 -25.164 21.525 1.00 33.41 H new ATOM 0 HG3 GLU A 88 -11.541 -23.653 20.737 1.00 33.41 H new ATOM 1370 N ARG A 89 -7.344 -24.681 22.556 1.00 11.42 N ATOM 1371 CA ARG A 89 -5.906 -24.492 22.303 1.00 21.11 C ATOM 1372 C ARG A 89 -5.626 -24.058 20.852 1.00 44.43 C ATOM 1373 O ARG A 89 -5.659 -24.874 19.931 1.00 50.34 O ATOM 1374 CB ARG A 89 -5.132 -25.785 22.622 1.00 32.22 C ATOM 1375 CG ARG A 89 -5.679 -27.030 21.920 1.00 74.53 C ATOM 1376 CD ARG A 89 -4.749 -28.228 22.073 1.00 64.20 C ATOM 1377 NE ARG A 89 -3.435 -27.987 21.476 1.00 40.13 N ATOM 1378 CZ ARG A 89 -2.576 -28.929 21.183 1.00 65.33 C ATOM 1379 NH1 ARG A 89 -2.837 -30.172 21.441 1.00 44.41 N ATOM 1380 NH2 ARG A 89 -1.441 -28.619 20.649 1.00 23.45 N ATOM 0 H ARG A 89 -7.736 -25.527 22.143 1.00 11.42 H new ATOM 0 HA ARG A 89 -5.565 -23.692 22.960 1.00 21.11 H new ATOM 0 HB2 ARG A 89 -4.088 -25.650 22.338 1.00 32.22 H new ATOM 0 HB3 ARG A 89 -5.151 -25.951 23.699 1.00 32.22 H new ATOM 0 HG2 ARG A 89 -6.658 -27.277 22.331 1.00 74.53 H new ATOM 0 HG3 ARG A 89 -5.822 -26.815 20.861 1.00 74.53 H new ATOM 0 HD2 ARG A 89 -4.628 -28.459 23.131 1.00 64.20 H new ATOM 0 HD3 ARG A 89 -5.204 -29.101 21.605 1.00 64.20 H new ATOM 0 HE ARG A 89 -3.172 -27.022 21.275 1.00 40.13 H new ATOM 0 HH11 ARG A 89 -3.722 -30.427 21.878 1.00 44.41 H new ATOM 0 HH12 ARG A 89 -2.157 -30.895 21.207 1.00 44.41 H new ATOM 0 HH21 ARG A 89 -1.217 -27.642 20.457 1.00 23.45 H new ATOM 0 HH22 ARG A 89 -0.769 -29.351 20.419 1.00 23.45 H new ATOM 1394 N PHE A 90 -5.328 -22.776 20.648 1.00 22.43 N ATOM 1395 CA PHE A 90 -5.052 -22.265 19.297 1.00 33.42 C ATOM 1396 C PHE A 90 -3.552 -22.340 18.958 1.00 3.20 C ATOM 1397 O PHE A 90 -2.699 -21.916 19.740 1.00 30.13 O ATOM 1398 CB PHE A 90 -5.568 -20.822 19.136 1.00 71.12 C ATOM 1399 CG PHE A 90 -4.826 -19.779 19.944 1.00 1.25 C ATOM 1400 CD1 PHE A 90 -5.080 -19.612 21.297 1.00 55.15 C ATOM 1401 CD2 PHE A 90 -3.887 -18.951 19.338 1.00 50.22 C ATOM 1402 CE1 PHE A 90 -4.415 -18.646 22.029 1.00 11.11 C ATOM 1403 CE2 PHE A 90 -3.218 -17.986 20.067 1.00 75.25 C ATOM 1404 CZ PHE A 90 -3.484 -17.832 21.413 1.00 53.12 C ATOM 0 H PHE A 90 -5.271 -22.076 21.388 1.00 22.43 H new ATOM 0 HA PHE A 90 -5.586 -22.904 18.594 1.00 33.42 H new ATOM 0 HB2 PHE A 90 -5.513 -20.549 18.082 1.00 71.12 H new ATOM 0 HB3 PHE A 90 -6.621 -20.796 19.418 1.00 71.12 H new ATOM 0 HD1 PHE A 90 -5.807 -20.245 21.785 1.00 55.15 H new ATOM 0 HD2 PHE A 90 -3.678 -19.064 18.284 1.00 50.22 H new ATOM 0 HE1 PHE A 90 -4.623 -18.528 23.082 1.00 11.11 H new ATOM 0 HE2 PHE A 90 -2.488 -17.353 19.584 1.00 75.25 H new ATOM 0 HZ PHE A 90 -2.965 -17.076 21.984 1.00 53.12 H new ATOM 1414 N SER A 91 -3.232 -22.895 17.790 1.00 53.25 N ATOM 1415 CA SER A 91 -1.837 -22.979 17.333 1.00 71.41 C ATOM 1416 C SER A 91 -1.376 -21.666 16.692 1.00 24.21 C ATOM 1417 O SER A 91 -1.710 -21.365 15.544 1.00 53.20 O ATOM 1418 CB SER A 91 -1.651 -24.127 16.339 1.00 51.35 C ATOM 1419 OG SER A 91 -0.316 -24.171 15.853 1.00 32.31 O ATOM 0 H SER A 91 -3.913 -23.293 17.143 1.00 53.25 H new ATOM 0 HA SER A 91 -1.225 -23.170 18.214 1.00 71.41 H new ATOM 0 HB2 SER A 91 -1.897 -25.073 16.821 1.00 51.35 H new ATOM 0 HB3 SER A 91 -2.341 -24.005 15.504 1.00 51.35 H new ATOM 0 HG SER A 91 -0.222 -24.914 15.221 1.00 32.31 H new ATOM 1425 N TYR A 92 -0.608 -20.891 17.450 1.00 2.23 N ATOM 1426 CA TYR A 92 -0.085 -19.598 16.990 1.00 33.05 C ATOM 1427 C TYR A 92 0.714 -19.714 15.670 1.00 35.22 C ATOM 1428 O TYR A 92 0.751 -18.770 14.868 1.00 64.14 O ATOM 1429 CB TYR A 92 0.790 -18.979 18.092 1.00 65.33 C ATOM 1430 CG TYR A 92 1.973 -19.846 18.503 1.00 2.31 C ATOM 1431 CD1 TYR A 92 1.784 -21.007 19.248 1.00 20.10 C ATOM 1432 CD2 TYR A 92 3.273 -19.508 18.141 1.00 62.10 C ATOM 1433 CE1 TYR A 92 2.850 -21.803 19.616 1.00 44.35 C ATOM 1434 CE2 TYR A 92 4.347 -20.299 18.510 1.00 11.33 C ATOM 1435 CZ TYR A 92 4.128 -21.447 19.245 1.00 71.21 C ATOM 1436 OH TYR A 92 5.191 -22.249 19.603 1.00 52.22 O ATOM 0 H TYR A 92 -0.328 -21.136 18.400 1.00 2.23 H new ATOM 0 HA TYR A 92 -0.938 -18.952 16.783 1.00 33.05 H new ATOM 0 HB2 TYR A 92 1.162 -18.014 17.747 1.00 65.33 H new ATOM 0 HB3 TYR A 92 0.171 -18.787 18.969 1.00 65.33 H new ATOM 0 HD1 TYR A 92 0.785 -21.290 19.544 1.00 20.10 H new ATOM 0 HD2 TYR A 92 3.447 -18.613 17.562 1.00 62.10 H new ATOM 0 HE1 TYR A 92 2.683 -22.701 20.192 1.00 44.35 H new ATOM 0 HE2 TYR A 92 5.351 -20.020 18.225 1.00 11.33 H new ATOM 0 HH TYR A 92 6.024 -21.859 19.264 1.00 52.22 H new ATOM 1446 N LYS A 93 1.345 -20.872 15.439 1.00 3.51 N ATOM 1447 CA LYS A 93 2.165 -21.068 14.232 1.00 14.00 C ATOM 1448 C LYS A 93 1.315 -21.439 13.003 1.00 44.23 C ATOM 1449 O LYS A 93 1.692 -21.135 11.872 1.00 12.12 O ATOM 1450 CB LYS A 93 3.268 -22.116 14.464 1.00 64.13 C ATOM 1451 CG LYS A 93 2.775 -23.534 14.746 1.00 60.21 C ATOM 1452 CD LYS A 93 3.946 -24.517 14.797 1.00 61.55 C ATOM 1453 CE LYS A 93 3.503 -25.948 15.082 1.00 12.21 C ATOM 1454 NZ LYS A 93 2.934 -26.099 16.446 1.00 12.24 N ATOM 0 H LYS A 93 1.306 -21.679 16.061 1.00 3.51 H new ATOM 0 HA LYS A 93 2.641 -20.110 14.023 1.00 14.00 H new ATOM 0 HB2 LYS A 93 3.912 -22.141 13.585 1.00 64.13 H new ATOM 0 HB3 LYS A 93 3.885 -21.790 15.302 1.00 64.13 H new ATOM 0 HG2 LYS A 93 2.236 -23.555 15.693 1.00 60.21 H new ATOM 0 HG3 LYS A 93 2.071 -23.840 13.972 1.00 60.21 H new ATOM 0 HD2 LYS A 93 4.480 -24.489 13.847 1.00 61.55 H new ATOM 0 HD3 LYS A 93 4.649 -24.199 15.567 1.00 61.55 H new ATOM 0 HE2 LYS A 93 2.759 -26.250 14.345 1.00 12.21 H new ATOM 0 HE3 LYS A 93 4.354 -26.619 14.969 1.00 12.21 H new ATOM 0 HZ1 LYS A 93 2.741 -27.104 16.632 1.00 12.24 H new ATOM 0 HZ2 LYS A 93 3.614 -25.741 17.147 1.00 12.24 H new ATOM 0 HZ3 LYS A 93 2.048 -25.558 16.515 1.00 12.24 H new