USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 744 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 14 LYS NZ :NH3+ -173:sc= 2.4 (180deg=1.15) USER MOD Set 1.2: A 18 GLN : amide:sc= 1.29! C(o=3.7!,f=-13!) USER MOD Single : A 11 THR OG1 : rot -105:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0202) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.129 K(o=-0.13,f=-14!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 170:sc= 1.29 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 MET CE :methyl 146:sc= -3.44! (180deg=-4.56!) USER MOD Single : A 141 LYS NZ :NH3+ -133:sc= 0.0624 (180deg=0) USER MOD Single : A 144 GLN : amide:sc= -4.57! K(o=-4.6!,f=-2) USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 -0.038 5.098 11.671 1.00 10.43 N ATOM 57 CA VAL A 5 -0.318 4.118 10.637 1.00 24.14 C ATOM 58 C VAL A 5 -1.575 4.504 9.863 1.00 64.02 C ATOM 59 O VAL A 5 -2.570 4.933 10.449 1.00 54.24 O ATOM 60 CB VAL A 5 -0.465 2.695 11.235 1.00 0.21 C ATOM 61 CG1 VAL A 5 -1.602 2.638 12.247 1.00 70.44 C ATOM 62 CG2 VAL A 5 -0.666 1.656 10.138 1.00 32.54 C ATOM 0 HA VAL A 5 0.527 4.106 9.949 1.00 24.14 H new ATOM 0 HB VAL A 5 0.463 2.460 11.757 1.00 0.21 H new ATOM 0 HG11 VAL A 5 -1.681 1.628 12.649 1.00 70.44 H new ATOM 0 HG12 VAL A 5 -1.402 3.337 13.059 1.00 70.44 H new ATOM 0 HG13 VAL A 5 -2.538 2.908 11.758 1.00 70.44 H new ATOM 0 HG21 VAL A 5 -0.766 0.668 10.587 1.00 32.54 H new ATOM 0 HG22 VAL A 5 -1.569 1.892 9.575 1.00 32.54 H new ATOM 0 HG23 VAL A 5 0.193 1.664 9.467 1.00 32.54 H new ATOM 72 N VAL A 6 -1.511 4.392 8.546 1.00 72.33 N ATOM 73 CA VAL A 6 -2.654 4.696 7.699 1.00 51.00 C ATOM 74 C VAL A 6 -3.046 3.459 6.903 1.00 52.21 C ATOM 75 O VAL A 6 -2.208 2.854 6.236 1.00 0.13 O ATOM 76 CB VAL A 6 -2.358 5.865 6.728 1.00 31.44 C ATOM 77 CG1 VAL A 6 -3.567 6.162 5.850 1.00 30.03 C ATOM 78 CG2 VAL A 6 -1.941 7.108 7.502 1.00 53.42 C ATOM 0 H VAL A 6 -0.678 4.092 8.039 1.00 72.33 H new ATOM 0 HA VAL A 6 -3.476 5.000 8.347 1.00 51.00 H new ATOM 0 HB VAL A 6 -1.534 5.568 6.080 1.00 31.44 H new ATOM 0 HG11 VAL A 6 -3.334 6.987 5.177 1.00 30.03 H new ATOM 0 HG12 VAL A 6 -3.819 5.277 5.266 1.00 30.03 H new ATOM 0 HG13 VAL A 6 -4.415 6.435 6.478 1.00 30.03 H new ATOM 0 HG21 VAL A 6 -1.737 7.920 6.804 1.00 53.42 H new ATOM 0 HG22 VAL A 6 -2.745 7.403 8.177 1.00 53.42 H new ATOM 0 HG23 VAL A 6 -1.043 6.892 8.080 1.00 53.42 H new ATOM 88 N ARG A 7 -4.309 3.072 6.990 1.00 51.54 N ATOM 89 CA ARG A 7 -4.785 1.913 6.261 1.00 11.43 C ATOM 90 C ARG A 7 -6.022 2.266 5.447 1.00 60.31 C ATOM 91 O ARG A 7 -6.939 2.930 5.938 1.00 42.41 O ATOM 92 CB ARG A 7 -5.097 0.751 7.214 1.00 51.24 C ATOM 93 CG ARG A 7 -6.327 0.977 8.080 1.00 23.24 C ATOM 94 CD ARG A 7 -6.704 -0.275 8.848 1.00 42.54 C ATOM 95 NE ARG A 7 -7.982 -0.124 9.546 1.00 43.14 N ATOM 96 CZ ARG A 7 -8.402 -0.930 10.524 1.00 34.53 C ATOM 97 NH1 ARG A 7 -7.622 -1.905 10.974 1.00 44.01 N ATOM 98 NH2 ARG A 7 -9.600 -0.755 11.065 1.00 35.30 N ATOM 0 H ARG A 7 -5.017 3.542 7.555 1.00 51.54 H new ATOM 0 HA ARG A 7 -3.993 1.597 5.582 1.00 11.43 H new ATOM 0 HB2 ARG A 7 -5.239 -0.158 6.629 1.00 51.24 H new ATOM 0 HB3 ARG A 7 -4.236 0.583 7.860 1.00 51.24 H new ATOM 0 HG2 ARG A 7 -6.136 1.791 8.780 1.00 23.24 H new ATOM 0 HG3 ARG A 7 -7.163 1.286 7.453 1.00 23.24 H new ATOM 0 HD2 ARG A 7 -6.764 -1.118 8.160 1.00 42.54 H new ATOM 0 HD3 ARG A 7 -5.921 -0.507 9.570 1.00 42.54 H new ATOM 0 HE ARG A 7 -8.590 0.646 9.267 1.00 43.14 H new ATOM 0 HH11 ARG A 7 -6.695 -2.043 10.572 1.00 44.01 H new ATOM 0 HH12 ARG A 7 -7.950 -2.517 11.721 1.00 44.01 H new ATOM 0 HH21 ARG A 7 -10.204 -0.003 10.734 1.00 35.30 H new ATOM 0 HH22 ARG A 7 -9.917 -1.373 11.812 1.00 35.30 H new ATOM 112 N ASP A 8 -6.015 1.855 4.197 1.00 50.11 N ATOM 113 CA ASP A 8 -7.171 1.978 3.324 1.00 72.55 C ATOM 114 C ASP A 8 -7.019 0.958 2.204 1.00 11.32 C ATOM 115 O ASP A 8 -5.964 0.328 2.093 1.00 44.42 O ATOM 116 CB ASP A 8 -7.305 3.401 2.765 1.00 35.35 C ATOM 117 CG ASP A 8 -8.683 3.670 2.184 1.00 61.01 C ATOM 118 OD1 ASP A 8 -9.613 3.993 2.962 1.00 22.31 O ATOM 119 OD2 ASP A 8 -8.856 3.547 0.957 1.00 35.21 O ATOM 0 H ASP A 8 -5.205 1.423 3.752 1.00 50.11 H new ATOM 0 HA ASP A 8 -8.083 1.783 3.888 1.00 72.55 H new ATOM 0 HB2 ASP A 8 -7.102 4.120 3.558 1.00 35.35 H new ATOM 0 HB3 ASP A 8 -6.552 3.557 1.993 1.00 35.35 H new ATOM 124 N ALA A 9 -8.040 0.781 1.386 1.00 73.41 N ATOM 125 CA ALA A 9 -8.007 -0.264 0.380 1.00 71.34 C ATOM 126 C ALA A 9 -8.471 0.234 -0.977 1.00 64.25 C ATOM 127 O ALA A 9 -9.606 0.693 -1.133 1.00 71.51 O ATOM 128 CB ALA A 9 -8.857 -1.440 0.818 1.00 40.23 C ATOM 0 H ALA A 9 -8.893 1.340 1.397 1.00 73.41 H new ATOM 0 HA ALA A 9 -6.969 -0.582 0.277 1.00 71.34 H new ATOM 0 HB1 ALA A 9 -8.824 -2.217 0.055 1.00 40.23 H new ATOM 0 HB2 ALA A 9 -8.472 -1.837 1.757 1.00 40.23 H new ATOM 0 HB3 ALA A 9 -9.887 -1.112 0.958 1.00 40.23 H new ATOM 134 N VAL A 10 -7.591 0.130 -1.956 1.00 13.02 N ATOM 135 CA VAL A 10 -7.936 0.451 -3.328 1.00 65.11 C ATOM 136 C VAL A 10 -8.192 -0.832 -4.108 1.00 24.14 C ATOM 137 O VAL A 10 -7.404 -1.773 -4.045 1.00 5.24 O ATOM 138 CB VAL A 10 -6.837 1.284 -4.031 1.00 62.32 C ATOM 139 CG1 VAL A 10 -6.735 2.662 -3.409 1.00 41.25 C ATOM 140 CG2 VAL A 10 -5.487 0.586 -3.973 1.00 11.23 C ATOM 0 H VAL A 10 -6.627 -0.176 -1.825 1.00 13.02 H new ATOM 0 HA VAL A 10 -8.840 1.060 -3.304 1.00 65.11 H new ATOM 0 HB VAL A 10 -7.121 1.386 -5.078 1.00 62.32 H new ATOM 0 HG11 VAL A 10 -5.957 3.233 -3.916 1.00 41.25 H new ATOM 0 HG12 VAL A 10 -7.689 3.179 -3.511 1.00 41.25 H new ATOM 0 HG13 VAL A 10 -6.485 2.567 -2.352 1.00 41.25 H new ATOM 0 HG21 VAL A 10 -4.739 1.199 -4.476 1.00 11.23 H new ATOM 0 HG22 VAL A 10 -5.197 0.441 -2.932 1.00 11.23 H new ATOM 0 HG23 VAL A 10 -5.556 -0.382 -4.469 1.00 11.23 H new ATOM 150 N THR A 11 -9.310 -0.887 -4.806 1.00 71.32 N ATOM 151 CA THR A 11 -9.632 -2.052 -5.604 1.00 41.04 C ATOM 152 C THR A 11 -9.368 -1.776 -7.079 1.00 3.20 C ATOM 153 O THR A 11 -10.000 -0.920 -7.703 1.00 62.52 O ATOM 154 CB THR A 11 -11.087 -2.534 -5.377 1.00 44.14 C ATOM 155 OG1 THR A 11 -11.394 -3.629 -6.248 1.00 34.43 O ATOM 156 CG2 THR A 11 -12.090 -1.413 -5.585 1.00 54.10 C ATOM 0 H THR A 11 -10.007 -0.142 -4.836 1.00 71.32 H new ATOM 0 HA THR A 11 -8.979 -2.862 -5.279 1.00 41.04 H new ATOM 0 HB THR A 11 -11.162 -2.865 -4.341 1.00 44.14 H new ATOM 0 HG1 THR A 11 -11.967 -3.315 -6.978 1.00 34.43 H new ATOM 0 HG21 THR A 11 -13.098 -1.791 -5.417 1.00 54.10 H new ATOM 0 HG22 THR A 11 -11.883 -0.605 -4.883 1.00 54.10 H new ATOM 0 HG23 THR A 11 -12.009 -1.037 -6.605 1.00 54.10 H new ATOM 164 N ILE A 12 -8.387 -2.480 -7.610 1.00 1.04 N ATOM 165 CA ILE A 12 -8.002 -2.350 -9.002 1.00 54.51 C ATOM 166 C ILE A 12 -8.346 -3.640 -9.730 1.00 60.24 C ATOM 167 O ILE A 12 -8.383 -4.705 -9.113 1.00 31.41 O ATOM 168 CB ILE A 12 -6.490 -2.047 -9.175 1.00 2.34 C ATOM 169 CG1 ILE A 12 -6.067 -0.835 -8.341 1.00 73.23 C ATOM 170 CG2 ILE A 12 -6.152 -1.799 -10.636 1.00 62.04 C ATOM 171 CD1 ILE A 12 -5.720 -1.170 -6.909 1.00 45.11 C ATOM 0 H ILE A 12 -7.834 -3.159 -7.088 1.00 1.04 H new ATOM 0 HA ILE A 12 -8.550 -1.507 -9.422 1.00 54.51 H new ATOM 0 HB ILE A 12 -5.942 -2.922 -8.824 1.00 2.34 H new ATOM 0 HG12 ILE A 12 -5.205 -0.364 -8.813 1.00 73.23 H new ATOM 0 HG13 ILE A 12 -6.874 -0.102 -8.347 1.00 73.23 H new ATOM 0 HG21 ILE A 12 -5.087 -1.589 -10.732 1.00 62.04 H new ATOM 0 HG22 ILE A 12 -6.402 -2.683 -11.222 1.00 62.04 H new ATOM 0 HG23 ILE A 12 -6.725 -0.947 -11.002 1.00 62.04 H new ATOM 0 HD11 ILE A 12 -5.430 -0.261 -6.383 1.00 45.11 H new ATOM 0 HD12 ILE A 12 -6.587 -1.613 -6.419 1.00 45.11 H new ATOM 0 HD13 ILE A 12 -4.892 -1.879 -6.891 1.00 45.11 H new ATOM 183 N GLY A 13 -8.622 -3.546 -11.024 1.00 14.51 N ATOM 184 CA GLY A 13 -8.960 -4.725 -11.801 1.00 74.11 C ATOM 185 C GLY A 13 -7.754 -5.610 -12.091 1.00 31.32 C ATOM 186 O GLY A 13 -7.599 -6.110 -13.202 1.00 5.45 O ATOM 0 H GLY A 13 -8.618 -2.673 -11.551 1.00 14.51 H new ATOM 0 HA2 GLY A 13 -9.709 -5.306 -11.263 1.00 74.11 H new ATOM 0 HA3 GLY A 13 -9.412 -4.416 -12.743 1.00 74.11 H new ATOM 190 N LYS A 14 -6.908 -5.801 -11.094 1.00 5.11 N ATOM 191 CA LYS A 14 -5.736 -6.653 -11.225 1.00 12.45 C ATOM 192 C LYS A 14 -5.931 -7.877 -10.342 1.00 22.34 C ATOM 193 O LYS A 14 -6.511 -7.767 -9.267 1.00 25.42 O ATOM 194 CB LYS A 14 -4.473 -5.894 -10.805 1.00 32.22 C ATOM 195 CG LYS A 14 -4.252 -4.585 -11.557 1.00 22.41 C ATOM 196 CD LYS A 14 -3.186 -4.703 -12.640 1.00 72.10 C ATOM 197 CE LYS A 14 -3.617 -5.605 -13.785 1.00 71.44 C ATOM 198 NZ LYS A 14 -2.602 -5.642 -14.874 1.00 5.02 N ATOM 0 H LYS A 14 -7.012 -5.373 -10.174 1.00 5.11 H new ATOM 0 HA LYS A 14 -5.616 -6.958 -12.265 1.00 12.45 H new ATOM 0 HB2 LYS A 14 -4.528 -5.682 -9.737 1.00 32.22 H new ATOM 0 HB3 LYS A 14 -3.607 -6.539 -10.958 1.00 32.22 H new ATOM 0 HG2 LYS A 14 -5.191 -4.268 -12.010 1.00 22.41 H new ATOM 0 HG3 LYS A 14 -3.961 -3.809 -10.849 1.00 22.41 H new ATOM 0 HD2 LYS A 14 -2.957 -3.711 -13.030 1.00 72.10 H new ATOM 0 HD3 LYS A 14 -2.268 -5.093 -12.201 1.00 72.10 H new ATOM 0 HE2 LYS A 14 -3.783 -6.615 -13.409 1.00 71.44 H new ATOM 0 HE3 LYS A 14 -4.568 -5.254 -14.186 1.00 71.44 H new ATOM 0 HZ1 LYS A 14 -2.982 -6.170 -15.685 1.00 5.02 H new ATOM 0 HZ2 LYS A 14 -2.374 -4.671 -15.169 1.00 5.02 H new ATOM 0 HZ3 LYS A 14 -1.740 -6.111 -14.529 1.00 5.02 H new ATOM 212 N PRO A 15 -5.455 -9.052 -10.781 1.00 15.51 N ATOM 213 CA PRO A 15 -5.722 -10.321 -10.082 1.00 2.32 C ATOM 214 C PRO A 15 -5.361 -10.293 -8.594 1.00 15.14 C ATOM 215 O PRO A 15 -6.221 -10.513 -7.742 1.00 34.31 O ATOM 216 CB PRO A 15 -4.836 -11.320 -10.825 1.00 44.32 C ATOM 217 CG PRO A 15 -4.663 -10.740 -12.184 1.00 54.10 C ATOM 218 CD PRO A 15 -4.647 -9.248 -11.999 1.00 4.25 C ATOM 0 HA PRO A 15 -6.785 -10.562 -10.094 1.00 2.32 H new ATOM 0 HB2 PRO A 15 -3.876 -11.446 -10.324 1.00 44.32 H new ATOM 0 HB3 PRO A 15 -5.303 -12.304 -10.872 1.00 44.32 H new ATOM 0 HG2 PRO A 15 -3.736 -11.086 -12.641 1.00 54.10 H new ATOM 0 HG3 PRO A 15 -5.476 -11.043 -12.844 1.00 54.10 H new ATOM 0 HD2 PRO A 15 -3.633 -8.868 -11.875 1.00 4.25 H new ATOM 0 HD3 PRO A 15 -5.078 -8.731 -12.856 1.00 4.25 H new ATOM 226 N ALA A 16 -4.094 -9.999 -8.299 1.00 22.31 N ATOM 227 CA ALA A 16 -3.594 -9.909 -6.924 1.00 34.43 C ATOM 228 C ALA A 16 -2.091 -9.696 -6.940 1.00 14.21 C ATOM 229 O ALA A 16 -1.573 -8.754 -6.340 1.00 62.43 O ATOM 230 CB ALA A 16 -3.924 -11.165 -6.125 1.00 15.32 C ATOM 0 H ALA A 16 -3.383 -9.816 -9.007 1.00 22.31 H new ATOM 0 HA ALA A 16 -4.085 -9.064 -6.442 1.00 34.43 H new ATOM 0 HB1 ALA A 16 -3.538 -11.063 -5.111 1.00 15.32 H new ATOM 0 HB2 ALA A 16 -5.005 -11.300 -6.090 1.00 15.32 H new ATOM 0 HB3 ALA A 16 -3.465 -12.031 -6.602 1.00 15.32 H new ATOM 236 N GLU A 17 -1.404 -10.585 -7.649 1.00 0.53 N ATOM 237 CA GLU A 17 0.042 -10.514 -7.822 1.00 72.11 C ATOM 238 C GLU A 17 0.458 -9.153 -8.375 1.00 61.32 C ATOM 239 O GLU A 17 1.444 -8.562 -7.939 1.00 63.41 O ATOM 240 CB GLU A 17 0.480 -11.649 -8.755 1.00 32.24 C ATOM 241 CG GLU A 17 1.879 -11.513 -9.328 1.00 3.11 C ATOM 242 CD GLU A 17 1.861 -11.161 -10.803 1.00 15.10 C ATOM 243 OE1 GLU A 17 1.801 -12.088 -11.639 1.00 14.35 O ATOM 244 OE2 GLU A 17 1.902 -9.962 -11.137 1.00 60.31 O ATOM 0 H GLU A 17 -1.837 -11.379 -8.122 1.00 0.53 H new ATOM 0 HA GLU A 17 0.534 -10.630 -6.856 1.00 72.11 H new ATOM 0 HB2 GLU A 17 0.419 -12.590 -8.209 1.00 32.24 H new ATOM 0 HB3 GLU A 17 -0.229 -11.713 -9.581 1.00 32.24 H new ATOM 0 HG2 GLU A 17 2.422 -10.743 -8.779 1.00 3.11 H new ATOM 0 HG3 GLU A 17 2.421 -12.448 -9.186 1.00 3.11 H new ATOM 251 N GLN A 18 -0.350 -8.651 -9.295 1.00 35.51 N ATOM 252 CA GLN A 18 -0.091 -7.386 -9.969 1.00 23.45 C ATOM 253 C GLN A 18 -0.096 -6.222 -8.986 1.00 45.43 C ATOM 254 O GLN A 18 0.574 -5.213 -9.195 1.00 45.54 O ATOM 255 CB GLN A 18 -1.159 -7.156 -11.036 1.00 51.21 C ATOM 256 CG GLN A 18 -1.060 -8.099 -12.222 1.00 71.54 C ATOM 257 CD GLN A 18 0.027 -7.687 -13.187 1.00 4.34 C ATOM 258 OE1 GLN A 18 -0.221 -6.926 -14.121 1.00 13.40 O ATOM 259 NE2 GLN A 18 1.232 -8.176 -12.971 1.00 64.32 N ATOM 0 H GLN A 18 -1.209 -9.111 -9.598 1.00 35.51 H new ATOM 0 HA GLN A 18 0.896 -7.438 -10.428 1.00 23.45 H new ATOM 0 HB2 GLN A 18 -2.143 -7.264 -10.580 1.00 51.21 H new ATOM 0 HB3 GLN A 18 -1.085 -6.129 -11.394 1.00 51.21 H new ATOM 0 HG2 GLN A 18 -0.863 -9.110 -11.865 1.00 71.54 H new ATOM 0 HG3 GLN A 18 -2.016 -8.126 -12.744 1.00 71.54 H new ATOM 0 HE21 GLN A 18 1.394 -8.804 -12.184 1.00 64.32 H new ATOM 0 HE22 GLN A 18 2.003 -7.926 -13.591 1.00 64.32 H new ATOM 268 N LEU A 19 -0.844 -6.380 -7.908 1.00 1.11 N ATOM 269 CA LEU A 19 -1.036 -5.305 -6.955 1.00 14.32 C ATOM 270 C LEU A 19 0.203 -5.103 -6.099 1.00 31.14 C ATOM 271 O LEU A 19 0.657 -3.977 -5.937 1.00 24.15 O ATOM 272 CB LEU A 19 -2.266 -5.577 -6.091 1.00 24.55 C ATOM 273 CG LEU A 19 -3.584 -5.668 -6.866 1.00 24.20 C ATOM 274 CD1 LEU A 19 -4.731 -6.020 -5.938 1.00 12.13 C ATOM 275 CD2 LEU A 19 -3.869 -4.360 -7.583 1.00 4.04 C ATOM 0 H LEU A 19 -1.329 -7.246 -7.672 1.00 1.11 H new ATOM 0 HA LEU A 19 -1.204 -4.381 -7.509 1.00 14.32 H new ATOM 0 HB2 LEU A 19 -2.114 -6.510 -5.549 1.00 24.55 H new ATOM 0 HB3 LEU A 19 -2.352 -4.786 -5.346 1.00 24.55 H new ATOM 0 HG LEU A 19 -3.488 -6.460 -7.609 1.00 24.20 H new ATOM 0 HD11 LEU A 19 -5.657 -6.079 -6.510 1.00 12.13 H new ATOM 0 HD12 LEU A 19 -4.534 -6.982 -5.465 1.00 12.13 H new ATOM 0 HD13 LEU A 19 -4.827 -5.252 -5.171 1.00 12.13 H new ATOM 0 HD21 LEU A 19 -4.809 -4.442 -8.129 1.00 4.04 H new ATOM 0 HD22 LEU A 19 -3.942 -3.553 -6.853 1.00 4.04 H new ATOM 0 HD23 LEU A 19 -3.061 -4.145 -8.282 1.00 4.04 H new ATOM 287 N TYR A 20 0.755 -6.176 -5.544 1.00 11.10 N ATOM 288 CA TYR A 20 1.981 -6.037 -4.763 1.00 51.05 C ATOM 289 C TYR A 20 3.184 -5.820 -5.682 1.00 43.41 C ATOM 290 O TYR A 20 4.200 -5.262 -5.273 1.00 31.33 O ATOM 291 CB TYR A 20 2.208 -7.208 -3.792 1.00 61.10 C ATOM 292 CG TYR A 20 2.453 -8.559 -4.426 1.00 53.01 C ATOM 293 CD1 TYR A 20 3.713 -8.917 -4.888 1.00 22.44 C ATOM 294 CD2 TYR A 20 1.432 -9.490 -4.526 1.00 55.51 C ATOM 295 CE1 TYR A 20 3.943 -10.160 -5.442 1.00 43.22 C ATOM 296 CE2 TYR A 20 1.654 -10.737 -5.070 1.00 5.52 C ATOM 297 CZ TYR A 20 2.912 -11.067 -5.528 1.00 42.51 C ATOM 298 OH TYR A 20 3.138 -12.314 -6.071 1.00 25.23 O ATOM 0 H TYR A 20 0.388 -7.125 -5.615 1.00 11.10 H new ATOM 0 HA TYR A 20 1.864 -5.152 -4.138 1.00 51.05 H new ATOM 0 HB2 TYR A 20 3.061 -6.967 -3.157 1.00 61.10 H new ATOM 0 HB3 TYR A 20 1.338 -7.287 -3.140 1.00 61.10 H new ATOM 0 HD1 TYR A 20 4.527 -8.211 -4.812 1.00 22.44 H new ATOM 0 HD2 TYR A 20 0.444 -9.234 -4.171 1.00 55.51 H new ATOM 0 HE1 TYR A 20 4.926 -10.419 -5.806 1.00 43.22 H new ATOM 0 HE2 TYR A 20 0.847 -11.452 -5.137 1.00 5.52 H new ATOM 0 HH TYR A 20 2.307 -12.833 -6.056 1.00 25.23 H new ATOM 308 N ALA A 21 3.052 -6.260 -6.931 1.00 63.03 N ATOM 309 CA ALA A 21 4.102 -6.096 -7.937 1.00 32.44 C ATOM 310 C ALA A 21 4.200 -4.649 -8.418 1.00 32.34 C ATOM 311 O ALA A 21 5.034 -4.326 -9.266 1.00 15.45 O ATOM 312 CB ALA A 21 3.849 -7.020 -9.114 1.00 73.34 C ATOM 0 H ALA A 21 2.219 -6.738 -7.275 1.00 63.03 H new ATOM 0 HA ALA A 21 5.052 -6.358 -7.470 1.00 32.44 H new ATOM 0 HB1 ALA A 21 4.637 -6.889 -9.856 1.00 73.34 H new ATOM 0 HB2 ALA A 21 3.843 -8.054 -8.770 1.00 73.34 H new ATOM 0 HB3 ALA A 21 2.885 -6.782 -9.563 1.00 73.34 H new ATOM 318 N VAL A 22 3.315 -3.804 -7.896 1.00 23.34 N ATOM 319 CA VAL A 22 3.254 -2.385 -8.256 1.00 21.01 C ATOM 320 C VAL A 22 4.613 -1.675 -8.092 1.00 43.01 C ATOM 321 O VAL A 22 4.855 -0.643 -8.715 1.00 44.32 O ATOM 322 CB VAL A 22 2.177 -1.645 -7.414 1.00 4.04 C ATOM 323 CG1 VAL A 22 2.562 -1.608 -5.944 1.00 45.54 C ATOM 324 CG2 VAL A 22 1.941 -0.239 -7.947 1.00 34.31 C ATOM 0 H VAL A 22 2.616 -4.083 -7.208 1.00 23.34 H new ATOM 0 HA VAL A 22 2.982 -2.347 -9.311 1.00 21.01 H new ATOM 0 HB VAL A 22 1.244 -2.202 -7.503 1.00 4.04 H new ATOM 0 HG11 VAL A 22 1.791 -1.085 -5.379 1.00 45.54 H new ATOM 0 HG12 VAL A 22 2.659 -2.626 -5.568 1.00 45.54 H new ATOM 0 HG13 VAL A 22 3.512 -1.087 -5.830 1.00 45.54 H new ATOM 0 HG21 VAL A 22 1.183 0.258 -7.341 1.00 34.31 H new ATOM 0 HG22 VAL A 22 2.871 0.328 -7.902 1.00 34.31 H new ATOM 0 HG23 VAL A 22 1.600 -0.294 -8.981 1.00 34.31 H new ATOM 334 N TRP A 23 5.493 -2.229 -7.257 1.00 32.23 N ATOM 335 CA TRP A 23 6.821 -1.645 -7.045 1.00 41.31 C ATOM 336 C TRP A 23 7.666 -1.744 -8.319 1.00 55.24 C ATOM 337 O TRP A 23 8.566 -0.936 -8.554 1.00 13.33 O ATOM 338 CB TRP A 23 7.535 -2.347 -5.887 1.00 70.13 C ATOM 339 CG TRP A 23 6.770 -2.307 -4.599 1.00 44.41 C ATOM 340 CD1 TRP A 23 6.261 -3.374 -3.916 1.00 71.12 C ATOM 341 CD2 TRP A 23 6.417 -1.141 -3.844 1.00 1.41 C ATOM 342 NE1 TRP A 23 5.620 -2.944 -2.779 1.00 14.13 N ATOM 343 CE2 TRP A 23 5.699 -1.577 -2.714 1.00 20.23 C ATOM 344 CE3 TRP A 23 6.639 0.229 -4.013 1.00 25.15 C ATOM 345 CZ2 TRP A 23 5.205 -0.692 -1.760 1.00 11.24 C ATOM 346 CZ3 TRP A 23 6.147 1.106 -3.064 1.00 65.12 C ATOM 347 CH2 TRP A 23 5.436 0.643 -1.951 1.00 3.45 C ATOM 0 H TRP A 23 5.313 -3.076 -6.719 1.00 32.23 H new ATOM 0 HA TRP A 23 6.693 -0.592 -6.794 1.00 41.31 H new ATOM 0 HB2 TRP A 23 7.717 -3.386 -6.160 1.00 70.13 H new ATOM 0 HB3 TRP A 23 8.509 -1.882 -5.736 1.00 70.13 H new ATOM 0 HD1 TRP A 23 6.349 -4.405 -4.224 1.00 71.12 H new ATOM 0 HE1 TRP A 23 5.160 -3.544 -2.095 1.00 14.13 H new ATOM 0 HE3 TRP A 23 7.185 0.596 -4.870 1.00 25.15 H new ATOM 0 HZ2 TRP A 23 4.658 -1.047 -0.899 1.00 11.24 H new ATOM 0 HZ3 TRP A 23 6.314 2.166 -3.184 1.00 65.12 H new ATOM 0 HH2 TRP A 23 5.062 1.354 -1.229 1.00 3.45 H new ATOM 358 N ARG A 24 7.365 -2.746 -9.130 1.00 3.51 N ATOM 359 CA ARG A 24 8.012 -2.930 -10.415 1.00 20.35 C ATOM 360 C ARG A 24 7.018 -2.518 -11.507 1.00 24.43 C ATOM 361 O ARG A 24 6.019 -1.863 -11.218 1.00 25.43 O ATOM 362 CB ARG A 24 8.442 -4.400 -10.576 1.00 72.32 C ATOM 363 CG ARG A 24 9.451 -4.641 -11.693 1.00 33.54 C ATOM 364 CD ARG A 24 10.845 -4.165 -11.314 1.00 35.43 C ATOM 365 NE ARG A 24 11.562 -5.146 -10.497 1.00 0.31 N ATOM 366 CZ ARG A 24 12.865 -5.077 -10.228 1.00 74.33 C ATOM 367 NH1 ARG A 24 13.582 -4.052 -10.668 1.00 60.20 N ATOM 368 NH2 ARG A 24 13.452 -6.040 -9.529 1.00 45.11 N ATOM 0 H ARG A 24 6.664 -3.454 -8.913 1.00 3.51 H new ATOM 0 HA ARG A 24 8.909 -2.315 -10.491 1.00 20.35 H new ATOM 0 HB2 ARG A 24 8.870 -4.746 -9.635 1.00 72.32 H new ATOM 0 HB3 ARG A 24 7.556 -5.007 -10.766 1.00 72.32 H new ATOM 0 HG2 ARG A 24 9.483 -5.705 -11.929 1.00 33.54 H new ATOM 0 HG3 ARG A 24 9.124 -4.124 -12.595 1.00 33.54 H new ATOM 0 HD2 ARG A 24 11.416 -3.962 -12.220 1.00 35.43 H new ATOM 0 HD3 ARG A 24 10.770 -3.225 -10.767 1.00 35.43 H new ATOM 0 HE ARG A 24 11.033 -5.928 -10.111 1.00 0.31 H new ATOM 0 HH11 ARG A 24 13.136 -3.314 -11.213 1.00 60.20 H new ATOM 0 HH12 ARG A 24 14.579 -4.001 -10.461 1.00 60.20 H new ATOM 0 HH21 ARG A 24 12.906 -6.835 -9.197 1.00 45.11 H new ATOM 0 HH22 ARG A 24 14.450 -5.986 -9.324 1.00 45.11 H new ATOM 382 N ASP A 25 7.269 -2.897 -12.749 1.00 25.40 N ATOM 383 CA ASP A 25 6.327 -2.616 -13.836 1.00 43.12 C ATOM 384 C ASP A 25 5.247 -3.701 -13.865 1.00 74.44 C ATOM 385 O ASP A 25 4.781 -4.114 -14.925 1.00 15.32 O ATOM 386 CB ASP A 25 7.076 -2.547 -15.172 1.00 41.44 C ATOM 387 CG ASP A 25 6.210 -2.084 -16.336 1.00 31.11 C ATOM 388 OD1 ASP A 25 5.327 -1.222 -16.133 1.00 73.31 O ATOM 389 OD2 ASP A 25 6.436 -2.558 -17.471 1.00 24.54 O ATOM 0 H ASP A 25 8.110 -3.398 -13.036 1.00 25.40 H new ATOM 0 HA ASP A 25 5.847 -1.652 -13.668 1.00 43.12 H new ATOM 0 HB2 ASP A 25 7.923 -1.869 -15.069 1.00 41.44 H new ATOM 0 HB3 ASP A 25 7.482 -3.532 -15.402 1.00 41.44 H new ATOM 394 N LEU A 26 4.867 -4.152 -12.660 1.00 24.13 N ATOM 395 CA LEU A 26 3.884 -5.225 -12.453 1.00 13.10 C ATOM 396 C LEU A 26 4.074 -6.385 -13.437 1.00 55.33 C ATOM 397 O LEU A 26 3.203 -6.668 -14.260 1.00 72.12 O ATOM 398 CB LEU A 26 2.427 -4.707 -12.472 1.00 20.43 C ATOM 399 CG LEU A 26 2.042 -3.732 -13.595 1.00 0.01 C ATOM 400 CD1 LEU A 26 0.562 -3.858 -13.918 1.00 30.11 C ATOM 401 CD2 LEU A 26 2.351 -2.295 -13.190 1.00 42.43 C ATOM 0 H LEU A 26 5.240 -3.775 -11.789 1.00 24.13 H new ATOM 0 HA LEU A 26 4.072 -5.613 -11.452 1.00 13.10 H new ATOM 0 HB2 LEU A 26 1.763 -5.569 -12.531 1.00 20.43 H new ATOM 0 HB3 LEU A 26 2.230 -4.218 -11.518 1.00 20.43 H new ATOM 0 HG LEU A 26 2.628 -3.985 -14.478 1.00 0.01 H new ATOM 0 HD11 LEU A 26 0.303 -3.161 -14.715 1.00 30.11 H new ATOM 0 HD12 LEU A 26 0.346 -4.876 -14.241 1.00 30.11 H new ATOM 0 HD13 LEU A 26 -0.025 -3.627 -13.029 1.00 30.11 H new ATOM 0 HD21 LEU A 26 2.071 -1.621 -13.999 1.00 42.43 H new ATOM 0 HD22 LEU A 26 1.786 -2.040 -12.293 1.00 42.43 H new ATOM 0 HD23 LEU A 26 3.417 -2.195 -12.987 1.00 42.43 H new ATOM 413 N PRO A 27 5.230 -7.068 -13.372 1.00 53.21 N ATOM 414 CA PRO A 27 5.534 -8.201 -14.228 1.00 35.51 C ATOM 415 C PRO A 27 5.411 -9.545 -13.510 1.00 51.21 C ATOM 416 O PRO A 27 5.534 -10.603 -14.129 1.00 51.14 O ATOM 417 CB PRO A 27 6.994 -7.921 -14.567 1.00 44.41 C ATOM 418 CG PRO A 27 7.557 -7.252 -13.345 1.00 55.42 C ATOM 419 CD PRO A 27 6.386 -6.760 -12.519 1.00 4.11 C ATOM 0 HA PRO A 27 4.856 -8.287 -15.077 1.00 35.51 H new ATOM 0 HB2 PRO A 27 7.530 -8.843 -14.794 1.00 44.41 H new ATOM 0 HB3 PRO A 27 7.079 -7.278 -15.443 1.00 44.41 H new ATOM 0 HG2 PRO A 27 8.165 -7.951 -12.771 1.00 55.42 H new ATOM 0 HG3 PRO A 27 8.205 -6.422 -13.626 1.00 55.42 H new ATOM 0 HD2 PRO A 27 6.326 -7.271 -11.558 1.00 4.11 H new ATOM 0 HD3 PRO A 27 6.460 -5.693 -12.309 1.00 4.11 H new ATOM 998 N ALA A 64 16.215 -11.563 4.021 1.00 40.04 N ATOM 999 CA ALA A 64 14.966 -11.107 4.616 1.00 23.13 C ATOM 1000 C ALA A 64 14.208 -12.325 5.115 1.00 31.43 C ATOM 1001 O ALA A 64 14.322 -13.406 4.534 1.00 45.23 O ATOM 1002 CB ALA A 64 14.125 -10.347 3.603 1.00 14.23 C ATOM 0 HA ALA A 64 15.181 -10.427 5.441 1.00 23.13 H new ATOM 0 HB1 ALA A 64 13.198 -10.018 4.073 1.00 14.23 H new ATOM 0 HB2 ALA A 64 14.680 -9.479 3.248 1.00 14.23 H new ATOM 0 HB3 ALA A 64 13.893 -10.999 2.761 1.00 14.23 H new ATOM 1008 N GLU A 65 13.460 -12.161 6.187 1.00 34.45 N ATOM 1009 CA GLU A 65 12.749 -13.273 6.788 1.00 15.13 C ATOM 1010 C GLU A 65 11.256 -13.030 6.591 1.00 42.23 C ATOM 1011 O GLU A 65 10.773 -11.924 6.819 1.00 53.45 O ATOM 1012 CB GLU A 65 13.126 -13.356 8.277 1.00 70.33 C ATOM 1013 CG GLU A 65 12.998 -14.738 8.911 1.00 74.42 C ATOM 1014 CD GLU A 65 11.598 -15.311 8.861 1.00 61.12 C ATOM 1015 OE1 GLU A 65 10.732 -14.852 9.635 1.00 43.23 O ATOM 1016 OE2 GLU A 65 11.370 -16.241 8.064 1.00 24.43 O ATOM 0 H GLU A 65 13.328 -11.268 6.661 1.00 34.45 H new ATOM 0 HA GLU A 65 13.014 -14.224 6.325 1.00 15.13 H new ATOM 0 HB2 GLU A 65 14.155 -13.016 8.393 1.00 70.33 H new ATOM 0 HB3 GLU A 65 12.497 -12.661 8.833 1.00 70.33 H new ATOM 0 HG2 GLU A 65 13.678 -15.423 8.405 1.00 74.42 H new ATOM 0 HG3 GLU A 65 13.319 -14.680 9.951 1.00 74.42 H new ATOM 1023 N LEU A 66 10.517 -14.037 6.171 1.00 13.33 N ATOM 1024 CA LEU A 66 9.133 -13.803 5.790 1.00 24.43 C ATOM 1025 C LEU A 66 8.171 -14.380 6.823 1.00 54.14 C ATOM 1026 O LEU A 66 8.393 -15.468 7.354 1.00 43.53 O ATOM 1027 CB LEU A 66 8.806 -14.410 4.412 1.00 52.21 C ATOM 1028 CG LEU A 66 9.696 -13.998 3.230 1.00 64.24 C ATOM 1029 CD1 LEU A 66 10.017 -12.512 3.269 1.00 55.12 C ATOM 1030 CD2 LEU A 66 10.966 -14.841 3.182 1.00 70.05 C ATOM 0 H LEU A 66 10.837 -15.002 6.085 1.00 13.33 H new ATOM 0 HA LEU A 66 9.007 -12.722 5.738 1.00 24.43 H new ATOM 0 HB2 LEU A 66 8.848 -15.495 4.503 1.00 52.21 H new ATOM 0 HB3 LEU A 66 7.776 -14.151 4.165 1.00 52.21 H new ATOM 0 HG LEU A 66 9.138 -14.186 2.313 1.00 64.24 H new ATOM 0 HD11 LEU A 66 10.648 -12.254 2.419 1.00 55.12 H new ATOM 0 HD12 LEU A 66 9.091 -11.938 3.221 1.00 55.12 H new ATOM 0 HD13 LEU A 66 10.542 -12.277 4.195 1.00 55.12 H new ATOM 0 HD21 LEU A 66 11.578 -14.529 2.336 1.00 70.05 H new ATOM 0 HD22 LEU A 66 11.528 -14.705 4.106 1.00 70.05 H new ATOM 0 HD23 LEU A 66 10.701 -15.892 3.070 1.00 70.05 H new ATOM 1042 N THR A 67 7.086 -13.665 7.088 1.00 32.10 N ATOM 1043 CA THR A 67 6.094 -14.140 8.038 1.00 72.13 C ATOM 1044 C THR A 67 4.814 -14.585 7.320 1.00 4.52 C ATOM 1045 O THR A 67 4.061 -15.414 7.835 1.00 53.20 O ATOM 1046 CB THR A 67 5.776 -13.074 9.116 1.00 2.14 C ATOM 1047 OG1 THR A 67 5.067 -13.675 10.203 1.00 24.30 O ATOM 1048 CG2 THR A 67 4.959 -11.919 8.550 1.00 61.51 C ATOM 0 H THR A 67 6.873 -12.763 6.662 1.00 32.10 H new ATOM 0 HA THR A 67 6.520 -15.005 8.546 1.00 72.13 H new ATOM 0 HB THR A 67 6.725 -12.672 9.469 1.00 2.14 H new ATOM 0 HG1 THR A 67 4.871 -12.995 10.881 1.00 24.30 H new ATOM 0 HG21 THR A 67 4.758 -11.194 9.339 1.00 61.51 H new ATOM 0 HG22 THR A 67 5.518 -11.437 7.748 1.00 61.51 H new ATOM 0 HG23 THR A 67 4.016 -12.299 8.157 1.00 61.51 H new ATOM 1056 N ALA A 68 4.579 -14.046 6.127 1.00 60.21 N ATOM 1057 CA ALA A 68 3.455 -14.467 5.301 1.00 24.22 C ATOM 1058 C ALA A 68 3.915 -14.631 3.862 1.00 55.52 C ATOM 1059 O ALA A 68 4.878 -13.987 3.444 1.00 11.44 O ATOM 1060 CB ALA A 68 2.311 -13.473 5.391 1.00 51.43 C ATOM 0 H ALA A 68 5.155 -13.314 5.711 1.00 60.21 H new ATOM 0 HA ALA A 68 3.087 -15.425 5.669 1.00 24.22 H new ATOM 0 HB1 ALA A 68 1.485 -13.811 4.765 1.00 51.43 H new ATOM 0 HB2 ALA A 68 1.975 -13.397 6.425 1.00 51.43 H new ATOM 0 HB3 ALA A 68 2.650 -12.496 5.047 1.00 51.43 H new ATOM 1066 N ASP A 69 3.233 -15.480 3.106 1.00 53.22 N ATOM 1067 CA ASP A 69 3.690 -15.826 1.764 1.00 12.43 C ATOM 1068 C ASP A 69 2.529 -16.178 0.842 1.00 1.51 C ATOM 1069 O ASP A 69 2.735 -16.766 -0.224 1.00 34.22 O ATOM 1070 CB ASP A 69 4.662 -17.006 1.834 1.00 14.15 C ATOM 1071 CG ASP A 69 4.007 -18.294 2.316 1.00 22.24 C ATOM 1072 OD1 ASP A 69 3.924 -18.503 3.546 1.00 32.22 O ATOM 1073 OD2 ASP A 69 3.595 -19.118 1.470 1.00 23.44 O ATOM 0 H ASP A 69 2.369 -15.939 3.394 1.00 53.22 H new ATOM 0 HA ASP A 69 4.193 -14.951 1.352 1.00 12.43 H new ATOM 0 HB2 ASP A 69 5.093 -17.172 0.847 1.00 14.15 H new ATOM 0 HB3 ASP A 69 5.485 -16.752 2.502 1.00 14.15 H new ATOM 1078 N GLU A 70 1.318 -15.806 1.235 1.00 1.13 N ATOM 1079 CA GLU A 70 0.133 -16.148 0.464 1.00 1.23 C ATOM 1080 C GLU A 70 0.209 -15.529 -0.936 1.00 71.11 C ATOM 1081 O GLU A 70 0.648 -14.396 -1.093 1.00 42.32 O ATOM 1082 CB GLU A 70 -1.132 -15.670 1.187 1.00 15.21 C ATOM 1083 CG GLU A 70 -1.340 -16.282 2.570 1.00 60.22 C ATOM 1084 CD GLU A 70 -0.519 -15.611 3.660 1.00 52.31 C ATOM 1085 OE1 GLU A 70 0.631 -16.039 3.896 1.00 11.32 O ATOM 1086 OE2 GLU A 70 -1.028 -14.668 4.296 1.00 43.33 O ATOM 0 H GLU A 70 1.132 -15.268 2.082 1.00 1.13 H new ATOM 0 HA GLU A 70 0.088 -17.232 0.364 1.00 1.23 H new ATOM 0 HB2 GLU A 70 -1.091 -14.585 1.286 1.00 15.21 H new ATOM 0 HB3 GLU A 70 -1.999 -15.901 0.567 1.00 15.21 H new ATOM 0 HG2 GLU A 70 -2.396 -16.219 2.831 1.00 60.22 H new ATOM 0 HG3 GLU A 70 -1.083 -17.341 2.532 1.00 60.22 H new ATOM 1093 N PRO A 71 -0.258 -16.256 -1.965 1.00 71.30 N ATOM 1094 CA PRO A 71 -0.108 -15.837 -3.363 1.00 53.03 C ATOM 1095 C PRO A 71 -1.129 -14.784 -3.783 1.00 15.33 C ATOM 1096 O PRO A 71 -0.935 -14.072 -4.770 1.00 32.44 O ATOM 1097 CB PRO A 71 -0.332 -17.136 -4.135 1.00 74.23 C ATOM 1098 CG PRO A 71 -1.262 -17.926 -3.279 1.00 30.44 C ATOM 1099 CD PRO A 71 -0.954 -17.551 -1.850 1.00 63.41 C ATOM 0 HA PRO A 71 0.859 -15.368 -3.544 1.00 53.03 H new ATOM 0 HB2 PRO A 71 -0.764 -16.944 -5.117 1.00 74.23 H new ATOM 0 HB3 PRO A 71 0.606 -17.668 -4.297 1.00 74.23 H new ATOM 0 HG2 PRO A 71 -2.300 -17.701 -3.524 1.00 30.44 H new ATOM 0 HG3 PRO A 71 -1.122 -18.995 -3.438 1.00 30.44 H new ATOM 0 HD2 PRO A 71 -1.863 -17.464 -1.255 1.00 63.41 H new ATOM 0 HD3 PRO A 71 -0.327 -18.300 -1.367 1.00 63.41 H new ATOM 1107 N GLY A 72 -2.218 -14.696 -3.037 1.00 52.13 N ATOM 1108 CA GLY A 72 -3.251 -13.730 -3.339 1.00 72.33 C ATOM 1109 C GLY A 72 -4.165 -13.517 -2.157 1.00 53.52 C ATOM 1110 O GLY A 72 -5.375 -13.372 -2.307 1.00 62.20 O ATOM 0 H GLY A 72 -2.405 -15.281 -2.222 1.00 52.13 H new ATOM 0 HA2 GLY A 72 -2.794 -12.782 -3.623 1.00 72.33 H new ATOM 0 HA3 GLY A 72 -3.833 -14.072 -4.195 1.00 72.33 H new ATOM 1114 N LYS A 73 -3.575 -13.512 -0.972 1.00 64.34 N ATOM 1115 CA LYS A 73 -4.328 -13.360 0.262 1.00 40.32 C ATOM 1116 C LYS A 73 -3.705 -12.270 1.121 1.00 55.44 C ATOM 1117 O LYS A 73 -4.389 -11.351 1.561 1.00 52.43 O ATOM 1118 CB LYS A 73 -4.360 -14.678 1.031 1.00 53.43 C ATOM 1119 CG LYS A 73 -5.204 -14.622 2.288 1.00 14.53 C ATOM 1120 CD LYS A 73 -5.053 -15.893 3.098 1.00 31.45 C ATOM 1121 CE LYS A 73 -5.909 -15.868 4.348 1.00 63.42 C ATOM 1122 NZ LYS A 73 -7.358 -15.989 4.040 1.00 45.40 N ATOM 0 H LYS A 73 -2.569 -13.612 -0.839 1.00 64.34 H new ATOM 0 HA LYS A 73 -5.351 -13.076 0.014 1.00 40.32 H new ATOM 0 HB2 LYS A 73 -4.745 -15.461 0.378 1.00 53.43 H new ATOM 0 HB3 LYS A 73 -3.341 -14.959 1.299 1.00 53.43 H new ATOM 0 HG2 LYS A 73 -4.908 -13.764 2.892 1.00 14.53 H new ATOM 0 HG3 LYS A 73 -6.251 -14.478 2.022 1.00 14.53 H new ATOM 0 HD2 LYS A 73 -5.330 -16.750 2.485 1.00 31.45 H new ATOM 0 HD3 LYS A 73 -4.007 -16.025 3.376 1.00 31.45 H new ATOM 0 HE2 LYS A 73 -5.610 -16.683 5.007 1.00 63.42 H new ATOM 0 HE3 LYS A 73 -5.731 -14.939 4.889 1.00 63.42 H new ATOM 0 HZ1 LYS A 73 -7.896 -16.069 4.927 1.00 45.40 H new ATOM 0 HZ2 LYS A 73 -7.674 -15.146 3.519 1.00 45.40 H new ATOM 0 HZ3 LYS A 73 -7.520 -16.836 3.459 1.00 45.40 H new ATOM 1136 N ARG A 74 -2.401 -12.374 1.347 1.00 73.33 N ATOM 1137 CA ARG A 74 -1.688 -11.395 2.151 1.00 25.35 C ATOM 1138 C ARG A 74 -0.177 -11.543 1.977 1.00 13.43 C ATOM 1139 O ARG A 74 0.365 -12.641 2.091 1.00 44.30 O ATOM 1140 CB ARG A 74 -2.077 -11.547 3.625 1.00 64.34 C ATOM 1141 CG ARG A 74 -1.182 -10.793 4.594 1.00 73.34 C ATOM 1142 CD ARG A 74 -1.406 -11.268 6.017 1.00 3.42 C ATOM 1143 NE ARG A 74 -1.162 -12.704 6.141 1.00 52.35 N ATOM 1144 CZ ARG A 74 -1.086 -13.357 7.294 1.00 54.42 C ATOM 1145 NH1 ARG A 74 -1.291 -12.719 8.439 1.00 31.24 N ATOM 1146 NH2 ARG A 74 -0.825 -14.653 7.295 1.00 64.42 N ATOM 0 H ARG A 74 -1.817 -13.128 0.984 1.00 73.33 H new ATOM 0 HA ARG A 74 -1.968 -10.398 1.812 1.00 25.35 H new ATOM 0 HB2 ARG A 74 -3.103 -11.202 3.754 1.00 64.34 H new ATOM 0 HB3 ARG A 74 -2.061 -12.606 3.884 1.00 64.34 H new ATOM 0 HG2 ARG A 74 -0.137 -10.937 4.318 1.00 73.34 H new ATOM 0 HG3 ARG A 74 -1.385 -9.724 4.527 1.00 73.34 H new ATOM 0 HD2 ARG A 74 -0.745 -10.725 6.692 1.00 3.42 H new ATOM 0 HD3 ARG A 74 -2.428 -11.043 6.321 1.00 3.42 H new ATOM 0 HE ARG A 74 -1.042 -13.241 5.282 1.00 52.35 H new ATOM 0 HH11 ARG A 74 -1.508 -11.722 8.436 1.00 31.24 H new ATOM 0 HH12 ARG A 74 -1.232 -13.225 9.323 1.00 31.24 H new ATOM 0 HH21 ARG A 74 -0.683 -15.145 6.413 1.00 64.42 H new ATOM 0 HH22 ARG A 74 -0.765 -15.161 8.178 1.00 64.42 H new ATOM 1160 N ILE A 75 0.487 -10.433 1.690 1.00 24.22 N ATOM 1161 CA ILE A 75 1.936 -10.405 1.589 1.00 41.22 C ATOM 1162 C ILE A 75 2.485 -9.661 2.790 1.00 52.33 C ATOM 1163 O ILE A 75 2.303 -8.449 2.906 1.00 32.24 O ATOM 1164 CB ILE A 75 2.438 -9.686 0.314 1.00 52.43 C ATOM 1165 CG1 ILE A 75 1.540 -9.985 -0.890 1.00 43.04 C ATOM 1166 CG2 ILE A 75 3.880 -10.077 0.014 1.00 1.53 C ATOM 1167 CD1 ILE A 75 1.431 -11.445 -1.242 1.00 71.30 C ATOM 0 H ILE A 75 0.039 -9.532 1.522 1.00 24.22 H new ATOM 0 HA ILE A 75 2.279 -11.439 1.547 1.00 41.22 H new ATOM 0 HB ILE A 75 2.396 -8.613 0.500 1.00 52.43 H new ATOM 0 HG12 ILE A 75 0.541 -9.598 -0.687 1.00 43.04 H new ATOM 0 HG13 ILE A 75 1.922 -9.443 -1.755 1.00 43.04 H new ATOM 0 HG21 ILE A 75 4.217 -9.562 -0.886 1.00 1.53 H new ATOM 0 HG22 ILE A 75 4.516 -9.795 0.853 1.00 1.53 H new ATOM 0 HG23 ILE A 75 3.940 -11.154 -0.140 1.00 1.53 H new ATOM 0 HD11 ILE A 75 0.776 -11.563 -2.105 1.00 71.30 H new ATOM 0 HD12 ILE A 75 2.420 -11.837 -1.480 1.00 71.30 H new ATOM 0 HD13 ILE A 75 1.018 -11.993 -0.396 1.00 71.30 H new ATOM 1179 N ALA A 76 3.132 -10.376 3.688 1.00 10.02 N ATOM 1180 CA ALA A 76 3.691 -9.753 4.871 1.00 61.11 C ATOM 1181 C ALA A 76 5.137 -10.159 5.050 1.00 23.51 C ATOM 1182 O ALA A 76 5.447 -11.336 5.257 1.00 41.21 O ATOM 1183 CB ALA A 76 2.882 -10.104 6.108 1.00 45.34 C ATOM 0 H ALA A 76 3.283 -11.383 3.623 1.00 10.02 H new ATOM 0 HA ALA A 76 3.647 -8.672 4.736 1.00 61.11 H new ATOM 0 HB1 ALA A 76 3.324 -9.623 6.980 1.00 45.34 H new ATOM 0 HB2 ALA A 76 1.857 -9.756 5.983 1.00 45.34 H new ATOM 0 HB3 ALA A 76 2.884 -11.185 6.250 1.00 45.34 H new ATOM 1189 N TRP A 77 6.016 -9.184 4.968 1.00 1.01 N ATOM 1190 CA TRP A 77 7.431 -9.434 5.127 1.00 62.43 C ATOM 1191 C TRP A 77 7.934 -8.771 6.396 1.00 32.43 C ATOM 1192 O TRP A 77 7.338 -7.815 6.896 1.00 3.23 O ATOM 1193 CB TRP A 77 8.224 -8.941 3.907 1.00 34.43 C ATOM 1194 CG TRP A 77 8.128 -7.460 3.666 1.00 12.11 C ATOM 1195 CD1 TRP A 77 7.216 -6.812 2.880 1.00 22.14 C ATOM 1196 CD2 TRP A 77 8.986 -6.441 4.203 1.00 21.22 C ATOM 1197 NE1 TRP A 77 7.452 -5.458 2.900 1.00 43.31 N ATOM 1198 CE2 TRP A 77 8.531 -5.205 3.706 1.00 34.43 C ATOM 1199 CE3 TRP A 77 10.093 -6.454 5.061 1.00 52.24 C ATOM 1200 CZ2 TRP A 77 9.140 -3.999 4.035 1.00 13.10 C ATOM 1201 CZ3 TRP A 77 10.697 -5.254 5.385 1.00 70.24 C ATOM 1202 CH2 TRP A 77 10.219 -4.041 4.875 1.00 32.04 C ATOM 0 H TRP A 77 5.774 -8.209 4.792 1.00 1.01 H new ATOM 0 HA TRP A 77 7.583 -10.511 5.205 1.00 62.43 H new ATOM 0 HB2 TRP A 77 9.272 -9.209 4.037 1.00 34.43 H new ATOM 0 HB3 TRP A 77 7.868 -9.466 3.020 1.00 34.43 H new ATOM 0 HD1 TRP A 77 6.425 -7.294 2.324 1.00 22.14 H new ATOM 0 HE1 TRP A 77 6.911 -4.755 2.396 1.00 43.31 H new ATOM 0 HE3 TRP A 77 10.468 -7.384 5.462 1.00 52.24 H new ATOM 0 HZ2 TRP A 77 8.774 -3.062 3.641 1.00 13.10 H new ATOM 0 HZ3 TRP A 77 11.553 -5.252 6.043 1.00 70.24 H new ATOM 0 HH2 TRP A 77 10.712 -3.120 5.150 1.00 32.04 H new ATOM 1213 N ARG A 78 9.016 -9.303 6.921 1.00 73.02 N ATOM 1214 CA ARG A 78 9.676 -8.735 8.071 1.00 32.33 C ATOM 1215 C ARG A 78 11.169 -8.901 7.881 1.00 14.22 C ATOM 1216 O ARG A 78 11.609 -9.459 6.878 1.00 31.10 O ATOM 1217 CB ARG A 78 9.222 -9.402 9.378 1.00 63.31 C ATOM 1218 CG ARG A 78 9.660 -10.852 9.525 1.00 42.35 C ATOM 1219 CD ARG A 78 9.368 -11.382 10.918 1.00 31.35 C ATOM 1220 NE ARG A 78 9.880 -12.737 11.100 1.00 73.24 N ATOM 1221 CZ ARG A 78 10.103 -13.305 12.282 1.00 75.53 C ATOM 1222 NH1 ARG A 78 9.871 -12.643 13.409 1.00 53.30 N ATOM 1223 NH2 ARG A 78 10.570 -14.544 12.330 1.00 72.44 N ATOM 0 H ARG A 78 9.463 -10.145 6.559 1.00 73.02 H new ATOM 0 HA ARG A 78 9.414 -7.680 8.152 1.00 32.33 H new ATOM 0 HB2 ARG A 78 9.612 -8.829 10.219 1.00 63.31 H new ATOM 0 HB3 ARG A 78 8.135 -9.355 9.438 1.00 63.31 H new ATOM 0 HG2 ARG A 78 9.145 -11.466 8.786 1.00 42.35 H new ATOM 0 HG3 ARG A 78 10.727 -10.934 9.320 1.00 42.35 H new ATOM 0 HD2 ARG A 78 9.816 -10.721 11.660 1.00 31.35 H new ATOM 0 HD3 ARG A 78 8.292 -11.373 11.092 1.00 31.35 H new ATOM 0 HE ARG A 78 10.080 -13.286 10.264 1.00 73.24 H new ATOM 0 HH11 ARG A 78 9.517 -11.687 13.375 1.00 53.30 H new ATOM 0 HH12 ARG A 78 10.046 -13.091 14.309 1.00 53.30 H new ATOM 0 HH21 ARG A 78 10.755 -15.053 11.466 1.00 72.44 H new ATOM 0 HH22 ARG A 78 10.744 -14.989 13.231 1.00 72.44 H new ATOM 1237 N SER A 79 11.952 -8.384 8.788 1.00 74.05 N ATOM 1238 CA SER A 79 13.368 -8.603 8.720 1.00 33.24 C ATOM 1239 C SER A 79 13.761 -9.772 9.611 1.00 11.02 C ATOM 1240 O SER A 79 12.918 -10.355 10.296 1.00 64.54 O ATOM 1241 CB SER A 79 14.120 -7.331 9.122 1.00 44.21 C ATOM 1242 OG SER A 79 13.701 -6.873 10.400 1.00 63.23 O ATOM 0 H SER A 79 11.637 -7.815 9.574 1.00 74.05 H new ATOM 0 HA SER A 79 13.640 -8.849 7.694 1.00 33.24 H new ATOM 0 HB2 SER A 79 15.192 -7.527 9.136 1.00 44.21 H new ATOM 0 HB3 SER A 79 13.948 -6.553 8.379 1.00 44.21 H new ATOM 0 HG SER A 79 14.197 -6.061 10.635 1.00 63.23 H new ATOM 1248 N LEU A 80 15.038 -10.106 9.599 1.00 22.44 N ATOM 1249 CA LEU A 80 15.548 -11.229 10.366 1.00 45.32 C ATOM 1250 C LEU A 80 15.541 -10.891 11.856 1.00 45.15 C ATOM 1251 O LEU A 80 15.548 -9.716 12.225 1.00 24.40 O ATOM 1252 CB LEU A 80 16.966 -11.557 9.898 1.00 20.51 C ATOM 1253 CG LEU A 80 17.200 -11.393 8.405 1.00 43.43 C ATOM 1254 CD1 LEU A 80 18.661 -11.582 8.090 1.00 11.35 C ATOM 1255 CD2 LEU A 80 16.360 -12.373 7.620 1.00 71.10 C ATOM 0 H LEU A 80 15.748 -9.610 9.061 1.00 22.44 H new ATOM 0 HA LEU A 80 14.910 -12.099 10.209 1.00 45.32 H new ATOM 0 HB2 LEU A 80 17.667 -10.917 10.434 1.00 20.51 H new ATOM 0 HB3 LEU A 80 17.196 -12.585 10.177 1.00 20.51 H new ATOM 0 HG LEU A 80 16.903 -10.385 8.115 1.00 43.43 H new ATOM 0 HD11 LEU A 80 18.821 -11.463 7.018 1.00 11.35 H new ATOM 0 HD12 LEU A 80 19.249 -10.839 8.629 1.00 11.35 H new ATOM 0 HD13 LEU A 80 18.973 -12.581 8.394 1.00 11.35 H new ATOM 0 HD21 LEU A 80 16.544 -12.238 6.554 1.00 71.10 H new ATOM 0 HD22 LEU A 80 16.624 -13.391 7.907 1.00 71.10 H new ATOM 0 HD23 LEU A 80 15.305 -12.199 7.831 1.00 71.10 H new ATOM 1267 N PRO A 81 15.516 -11.915 12.730 1.00 71.41 N ATOM 1268 CA PRO A 81 15.499 -11.720 14.187 1.00 72.13 C ATOM 1269 C PRO A 81 16.628 -10.815 14.675 1.00 21.45 C ATOM 1270 O PRO A 81 16.441 -10.009 15.587 1.00 71.42 O ATOM 1271 CB PRO A 81 15.677 -13.138 14.736 1.00 74.14 C ATOM 1272 CG PRO A 81 15.152 -14.025 13.664 1.00 55.12 C ATOM 1273 CD PRO A 81 15.487 -13.343 12.367 1.00 24.11 C ATOM 0 HA PRO A 81 14.584 -11.228 14.517 1.00 72.13 H new ATOM 0 HB2 PRO A 81 16.724 -13.352 14.950 1.00 74.14 H new ATOM 0 HB3 PRO A 81 15.128 -13.274 15.667 1.00 74.14 H new ATOM 0 HG2 PRO A 81 15.609 -15.013 13.716 1.00 55.12 H new ATOM 0 HG3 PRO A 81 14.076 -14.166 13.765 1.00 55.12 H new ATOM 0 HD2 PRO A 81 16.447 -13.677 11.973 1.00 24.11 H new ATOM 0 HD3 PRO A 81 14.740 -13.548 11.600 1.00 24.11 H new ATOM 1281 N GLY A 82 17.791 -10.930 14.047 1.00 73.42 N ATOM 1282 CA GLY A 82 18.937 -10.149 14.462 1.00 33.25 C ATOM 1283 C GLY A 82 19.106 -8.881 13.649 1.00 25.24 C ATOM 1284 O GLY A 82 20.200 -8.317 13.584 1.00 3.02 O ATOM 0 H GLY A 82 17.960 -11.552 13.256 1.00 73.42 H new ATOM 0 HA2 GLY A 82 18.832 -9.889 15.515 1.00 33.25 H new ATOM 0 HA3 GLY A 82 19.838 -10.756 14.372 1.00 33.25 H new ATOM 1288 N ALA A 83 18.027 -8.431 13.024 1.00 60.30 N ATOM 1289 CA ALA A 83 18.057 -7.216 12.228 1.00 52.12 C ATOM 1290 C ALA A 83 17.064 -6.194 12.773 1.00 30.54 C ATOM 1291 O ALA A 83 16.337 -6.473 13.729 1.00 74.13 O ATOM 1292 CB ALA A 83 17.760 -7.537 10.770 1.00 62.41 C ATOM 0 H ALA A 83 17.118 -8.892 13.054 1.00 60.30 H new ATOM 0 HA ALA A 83 19.055 -6.782 12.289 1.00 52.12 H new ATOM 0 HB1 ALA A 83 17.785 -6.619 10.183 1.00 62.41 H new ATOM 0 HB2 ALA A 83 18.510 -8.231 10.390 1.00 62.41 H new ATOM 0 HB3 ALA A 83 16.772 -7.991 10.691 1.00 62.41 H new ATOM 1298 N ARG A 84 17.043 -5.010 12.174 1.00 22.14 N ATOM 1299 CA ARG A 84 16.152 -3.943 12.613 1.00 12.25 C ATOM 1300 C ARG A 84 15.134 -3.622 11.526 1.00 12.44 C ATOM 1301 O ARG A 84 15.446 -3.691 10.338 1.00 73.32 O ATOM 1302 CB ARG A 84 16.941 -2.676 12.983 1.00 23.55 C ATOM 1303 CG ARG A 84 17.694 -2.769 14.307 1.00 4.32 C ATOM 1304 CD ARG A 84 18.922 -3.666 14.217 1.00 12.32 C ATOM 1305 NE ARG A 84 19.526 -3.904 15.529 1.00 63.02 N ATOM 1306 CZ ARG A 84 20.502 -4.782 15.758 1.00 54.10 C ATOM 1307 NH1 ARG A 84 21.051 -5.457 14.754 1.00 23.03 N ATOM 1308 NH2 ARG A 84 20.940 -4.966 16.994 1.00 23.10 N ATOM 0 H ARG A 84 17.635 -4.764 11.380 1.00 22.14 H new ATOM 0 HA ARG A 84 15.628 -4.291 13.503 1.00 12.25 H new ATOM 0 HB2 ARG A 84 17.654 -2.461 12.187 1.00 23.55 H new ATOM 0 HB3 ARG A 84 16.251 -1.833 13.029 1.00 23.55 H new ATOM 0 HG2 ARG A 84 18.000 -1.770 14.619 1.00 4.32 H new ATOM 0 HG3 ARG A 84 17.024 -3.152 15.077 1.00 4.32 H new ATOM 0 HD2 ARG A 84 18.642 -4.619 13.769 1.00 12.32 H new ATOM 0 HD3 ARG A 84 19.658 -3.207 13.557 1.00 12.32 H new ATOM 0 HE ARG A 84 19.177 -3.362 16.320 1.00 63.02 H new ATOM 0 HH11 ARG A 84 20.726 -5.305 13.799 1.00 23.03 H new ATOM 0 HH12 ARG A 84 21.798 -6.127 14.938 1.00 23.03 H new ATOM 0 HH21 ARG A 84 20.531 -4.437 17.764 1.00 23.10 H new ATOM 0 HH22 ARG A 84 21.687 -5.637 17.176 1.00 23.10 H new ATOM 1322 N ILE A 85 13.919 -3.280 11.937 1.00 64.14 N ATOM 1323 CA ILE A 85 12.846 -2.990 10.993 1.00 10.31 C ATOM 1324 C ILE A 85 12.829 -1.518 10.596 1.00 33.42 C ATOM 1325 O ILE A 85 13.475 -0.682 11.231 1.00 55.54 O ATOM 1326 CB ILE A 85 11.457 -3.403 11.549 1.00 73.14 C ATOM 1327 CG1 ILE A 85 11.262 -2.937 13.004 1.00 24.13 C ATOM 1328 CG2 ILE A 85 11.272 -4.911 11.446 1.00 32.53 C ATOM 1329 CD1 ILE A 85 10.890 -1.473 13.151 1.00 74.51 C ATOM 0 H ILE A 85 13.652 -3.197 12.918 1.00 64.14 H new ATOM 0 HA ILE A 85 13.049 -3.587 10.104 1.00 10.31 H new ATOM 0 HB ILE A 85 10.699 -2.909 10.941 1.00 73.14 H new ATOM 0 HG12 ILE A 85 10.484 -3.545 13.466 1.00 24.13 H new ATOM 0 HG13 ILE A 85 12.182 -3.123 13.558 1.00 24.13 H new ATOM 0 HG21 ILE A 85 10.293 -5.185 11.840 1.00 32.53 H new ATOM 0 HG22 ILE A 85 11.341 -5.216 10.402 1.00 32.53 H new ATOM 0 HG23 ILE A 85 12.049 -5.413 12.023 1.00 32.53 H new ATOM 0 HD11 ILE A 85 10.773 -1.232 14.207 1.00 74.51 H new ATOM 0 HD12 ILE A 85 11.677 -0.853 12.722 1.00 74.51 H new ATOM 0 HD13 ILE A 85 9.953 -1.282 12.629 1.00 74.51 H new ATOM 1341 N GLU A 86 12.077 -1.215 9.549 1.00 21.41 N ATOM 1342 CA GLU A 86 11.970 0.147 9.044 1.00 1.22 C ATOM 1343 C GLU A 86 10.509 0.568 8.958 1.00 63.40 C ATOM 1344 O GLU A 86 10.068 1.485 9.649 1.00 53.40 O ATOM 1345 CB GLU A 86 12.618 0.249 7.661 1.00 21.44 C ATOM 1346 CG GLU A 86 12.476 1.621 7.026 1.00 1.33 C ATOM 1347 CD GLU A 86 13.005 1.669 5.610 1.00 12.03 C ATOM 1348 OE1 GLU A 86 14.235 1.785 5.436 1.00 13.24 O ATOM 1349 OE2 GLU A 86 12.192 1.598 4.665 1.00 34.22 O ATOM 0 H GLU A 86 11.528 -1.899 9.029 1.00 21.41 H new ATOM 0 HA GLU A 86 12.490 0.812 9.733 1.00 1.22 H new ATOM 0 HB2 GLU A 86 13.677 0.004 7.746 1.00 21.44 H new ATOM 0 HB3 GLU A 86 12.170 -0.496 7.003 1.00 21.44 H new ATOM 0 HG2 GLU A 86 11.425 1.909 7.026 1.00 1.33 H new ATOM 0 HG3 GLU A 86 13.008 2.354 7.633 1.00 1.33 H new ATOM 1356 N ASN A 87 9.770 -0.114 8.100 1.00 62.22 N ATOM 1357 CA ASN A 87 8.358 0.162 7.889 1.00 5.21 C ATOM 1358 C ASN A 87 7.603 -1.156 7.987 1.00 43.00 C ATOM 1359 O ASN A 87 8.225 -2.214 8.084 1.00 53.23 O ATOM 1360 CB ASN A 87 8.157 0.801 6.502 1.00 31.53 C ATOM 1361 CG ASN A 87 6.861 1.588 6.365 1.00 25.22 C ATOM 1362 OD1 ASN A 87 5.858 1.306 7.022 1.00 21.33 O ATOM 1363 ND2 ASN A 87 6.875 2.580 5.491 1.00 10.04 N ATOM 0 H ASN A 87 10.133 -0.877 7.528 1.00 62.22 H new ATOM 0 HA ASN A 87 7.984 0.858 8.640 1.00 5.21 H new ATOM 0 HB2 ASN A 87 8.997 1.464 6.294 1.00 31.53 H new ATOM 0 HB3 ASN A 87 8.175 0.016 5.746 1.00 31.53 H new ATOM 0 HD21 ASN A 87 6.036 3.141 5.343 1.00 10.04 H new ATOM 0 HD22 ASN A 87 7.725 2.784 4.965 1.00 10.04 H new ATOM 1370 N SER A 88 6.286 -1.106 7.962 1.00 42.00 N ATOM 1371 CA SER A 88 5.494 -2.317 7.992 1.00 44.31 C ATOM 1372 C SER A 88 5.121 -2.715 6.572 1.00 22.40 C ATOM 1373 O SER A 88 4.580 -1.909 5.812 1.00 21.12 O ATOM 1374 CB SER A 88 4.231 -2.105 8.833 1.00 4.11 C ATOM 1375 OG SER A 88 4.554 -1.661 10.141 1.00 72.54 O ATOM 0 H SER A 88 5.744 -0.243 7.921 1.00 42.00 H new ATOM 0 HA SER A 88 6.079 -3.117 8.446 1.00 44.31 H new ATOM 0 HB2 SER A 88 3.586 -1.373 8.347 1.00 4.11 H new ATOM 0 HB3 SER A 88 3.669 -3.037 8.891 1.00 4.11 H new ATOM 0 HG SER A 88 3.730 -1.532 10.655 1.00 72.54 H new ATOM 1381 N GLY A 89 5.416 -3.950 6.219 1.00 71.34 N ATOM 1382 CA GLY A 89 5.132 -4.422 4.885 1.00 70.13 C ATOM 1383 C GLY A 89 4.114 -5.532 4.888 1.00 73.11 C ATOM 1384 O GLY A 89 4.461 -6.700 4.716 1.00 51.24 O ATOM 0 H GLY A 89 5.849 -4.638 6.835 1.00 71.34 H new ATOM 0 HA2 GLY A 89 4.765 -3.595 4.277 1.00 70.13 H new ATOM 0 HA3 GLY A 89 6.053 -4.775 4.421 1.00 70.13 H new ATOM 1388 N GLU A 90 2.861 -5.171 5.104 1.00 71.15 N ATOM 1389 CA GLU A 90 1.791 -6.146 5.129 1.00 20.23 C ATOM 1390 C GLU A 90 0.639 -5.686 4.248 1.00 50.12 C ATOM 1391 O GLU A 90 -0.006 -4.673 4.524 1.00 23.42 O ATOM 1392 CB GLU A 90 1.314 -6.373 6.562 1.00 13.40 C ATOM 1393 CG GLU A 90 0.315 -7.509 6.693 1.00 41.52 C ATOM 1394 CD GLU A 90 -0.080 -7.761 8.129 1.00 53.45 C ATOM 1395 OE1 GLU A 90 0.682 -8.440 8.853 1.00 21.15 O ATOM 1396 OE2 GLU A 90 -1.150 -7.279 8.546 1.00 24.51 O ATOM 0 H GLU A 90 2.562 -4.209 5.264 1.00 71.15 H new ATOM 0 HA GLU A 90 2.169 -7.091 4.738 1.00 20.23 H new ATOM 0 HB2 GLU A 90 2.176 -6.583 7.195 1.00 13.40 H new ATOM 0 HB3 GLU A 90 0.860 -5.455 6.936 1.00 13.40 H new ATOM 0 HG2 GLU A 90 -0.575 -7.276 6.109 1.00 41.52 H new ATOM 0 HG3 GLU A 90 0.744 -8.418 6.271 1.00 41.52 H new ATOM 1403 N VAL A 91 0.409 -6.427 3.178 1.00 22.32 N ATOM 1404 CA VAL A 91 -0.682 -6.149 2.263 1.00 2.11 C ATOM 1405 C VAL A 91 -1.609 -7.351 2.203 1.00 63.12 C ATOM 1406 O VAL A 91 -1.159 -8.484 2.091 1.00 14.13 O ATOM 1407 CB VAL A 91 -0.173 -5.830 0.836 1.00 11.32 C ATOM 1408 CG1 VAL A 91 0.817 -4.684 0.844 1.00 71.24 C ATOM 1409 CG2 VAL A 91 0.465 -7.040 0.203 1.00 32.34 C ATOM 0 H VAL A 91 0.973 -7.237 2.920 1.00 22.32 H new ATOM 0 HA VAL A 91 -1.213 -5.273 2.636 1.00 2.11 H new ATOM 0 HB VAL A 91 -1.042 -5.537 0.247 1.00 11.32 H new ATOM 0 HG11 VAL A 91 1.154 -4.487 -0.174 1.00 71.24 H new ATOM 0 HG12 VAL A 91 0.338 -3.792 1.247 1.00 71.24 H new ATOM 0 HG13 VAL A 91 1.673 -4.947 1.465 1.00 71.24 H new ATOM 0 HG21 VAL A 91 0.813 -6.786 -0.798 1.00 32.34 H new ATOM 0 HG22 VAL A 91 1.311 -7.365 0.809 1.00 32.34 H new ATOM 0 HG23 VAL A 91 -0.266 -7.846 0.139 1.00 32.34 H new ATOM 1419 N LEU A 92 -2.892 -7.125 2.324 1.00 71.12 N ATOM 1420 CA LEU A 92 -3.843 -8.207 2.186 1.00 22.11 C ATOM 1421 C LEU A 92 -4.689 -7.996 0.940 1.00 61.31 C ATOM 1422 O LEU A 92 -5.070 -6.867 0.622 1.00 21.54 O ATOM 1423 CB LEU A 92 -4.741 -8.320 3.421 1.00 41.44 C ATOM 1424 CG LEU A 92 -4.041 -8.621 4.753 1.00 71.13 C ATOM 1425 CD1 LEU A 92 -3.221 -7.437 5.245 1.00 25.33 C ATOM 1426 CD2 LEU A 92 -5.068 -9.005 5.794 1.00 2.30 C ATOM 0 H LEU A 92 -3.303 -6.212 2.516 1.00 71.12 H new ATOM 0 HA LEU A 92 -3.286 -9.139 2.091 1.00 22.11 H new ATOM 0 HB2 LEU A 92 -5.292 -7.385 3.529 1.00 41.44 H new ATOM 0 HB3 LEU A 92 -5.476 -9.104 3.237 1.00 41.44 H new ATOM 0 HG LEU A 92 -3.354 -9.451 4.587 1.00 71.13 H new ATOM 0 HD11 LEU A 92 -2.743 -7.693 6.190 1.00 25.33 H new ATOM 0 HD12 LEU A 92 -2.457 -7.191 4.507 1.00 25.33 H new ATOM 0 HD13 LEU A 92 -3.875 -6.577 5.391 1.00 25.33 H new ATOM 0 HD21 LEU A 92 -4.567 -9.218 6.738 1.00 2.30 H new ATOM 0 HD22 LEU A 92 -5.770 -8.183 5.933 1.00 2.30 H new ATOM 0 HD23 LEU A 92 -5.609 -9.891 5.462 1.00 2.30 H new ATOM 1438 N PHE A 93 -4.977 -9.079 0.240 1.00 54.42 N ATOM 1439 CA PHE A 93 -5.724 -9.015 -1.001 1.00 70.33 C ATOM 1440 C PHE A 93 -6.993 -9.839 -0.899 1.00 41.34 C ATOM 1441 O PHE A 93 -6.963 -10.989 -0.456 1.00 62.53 O ATOM 1442 CB PHE A 93 -4.892 -9.547 -2.169 1.00 31.55 C ATOM 1443 CG PHE A 93 -3.611 -8.807 -2.399 1.00 12.52 C ATOM 1444 CD1 PHE A 93 -3.623 -7.472 -2.759 1.00 71.20 C ATOM 1445 CD2 PHE A 93 -2.394 -9.449 -2.254 1.00 22.40 C ATOM 1446 CE1 PHE A 93 -2.442 -6.791 -2.972 1.00 42.53 C ATOM 1447 CE2 PHE A 93 -1.212 -8.772 -2.468 1.00 62.21 C ATOM 1448 CZ PHE A 93 -1.235 -7.441 -2.826 1.00 64.22 C ATOM 0 H PHE A 93 -4.701 -10.022 0.515 1.00 54.42 H new ATOM 0 HA PHE A 93 -5.973 -7.969 -1.179 1.00 70.33 H new ATOM 0 HB2 PHE A 93 -4.664 -10.598 -1.989 1.00 31.55 H new ATOM 0 HB3 PHE A 93 -5.492 -9.502 -3.078 1.00 31.55 H new ATOM 0 HD1 PHE A 93 -4.566 -6.958 -2.875 1.00 71.20 H new ATOM 0 HD2 PHE A 93 -2.370 -10.491 -1.970 1.00 22.40 H new ATOM 0 HE1 PHE A 93 -2.463 -5.748 -3.253 1.00 42.53 H new ATOM 0 HE2 PHE A 93 -0.268 -9.285 -2.355 1.00 62.21 H new ATOM 0 HZ PHE A 93 -0.310 -6.909 -2.992 1.00 64.22 H new ATOM 1458 N ARG A 94 -8.101 -9.251 -1.297 1.00 21.34 N ATOM 1459 CA ARG A 94 -9.346 -9.984 -1.385 1.00 63.33 C ATOM 1460 C ARG A 94 -10.113 -9.537 -2.620 1.00 43.32 C ATOM 1461 O ARG A 94 -10.080 -8.358 -2.985 1.00 24.10 O ATOM 1462 CB ARG A 94 -10.197 -9.773 -0.124 1.00 54.32 C ATOM 1463 CG ARG A 94 -10.778 -8.376 0.003 1.00 3.34 C ATOM 1464 CD ARG A 94 -11.668 -8.246 1.226 1.00 74.42 C ATOM 1465 NE ARG A 94 -12.452 -7.013 1.188 1.00 74.21 N ATOM 1466 CZ ARG A 94 -13.344 -6.657 2.109 1.00 15.21 C ATOM 1467 NH1 ARG A 94 -13.543 -7.409 3.184 1.00 43.32 N ATOM 1468 NH2 ARG A 94 -14.022 -5.528 1.954 1.00 53.24 N ATOM 0 H ARG A 94 -8.165 -8.269 -1.564 1.00 21.34 H new ATOM 0 HA ARG A 94 -9.121 -11.048 -1.464 1.00 63.33 H new ATOM 0 HB2 ARG A 94 -11.013 -10.496 -0.124 1.00 54.32 H new ATOM 0 HB3 ARG A 94 -9.585 -9.982 0.754 1.00 54.32 H new ATOM 0 HG2 ARG A 94 -9.968 -7.649 0.064 1.00 3.34 H new ATOM 0 HG3 ARG A 94 -11.353 -8.138 -0.892 1.00 3.34 H new ATOM 0 HD2 ARG A 94 -12.339 -9.103 1.282 1.00 74.42 H new ATOM 0 HD3 ARG A 94 -11.055 -8.261 2.127 1.00 74.42 H new ATOM 0 HE ARG A 94 -12.305 -6.381 0.401 1.00 74.21 H new ATOM 0 HH11 ARG A 94 -13.010 -8.269 3.310 1.00 43.32 H new ATOM 0 HH12 ARG A 94 -14.229 -7.127 3.884 1.00 43.32 H new ATOM 0 HH21 ARG A 94 -13.857 -4.942 1.135 1.00 53.24 H new ATOM 0 HH22 ARG A 94 -14.708 -5.245 2.654 1.00 53.24 H new ATOM 1482 N PRO A 95 -10.790 -10.471 -3.295 1.00 15.33 N ATOM 1483 CA PRO A 95 -11.660 -10.142 -4.420 1.00 14.21 C ATOM 1484 C PRO A 95 -12.811 -9.254 -3.970 1.00 45.03 C ATOM 1485 O PRO A 95 -13.676 -9.682 -3.195 1.00 72.45 O ATOM 1486 CB PRO A 95 -12.174 -11.505 -4.901 1.00 53.53 C ATOM 1487 CG PRO A 95 -11.208 -12.493 -4.345 1.00 51.01 C ATOM 1488 CD PRO A 95 -10.743 -11.917 -3.040 1.00 32.10 C ATOM 0 HA PRO A 95 -11.144 -9.589 -5.205 1.00 14.21 H new ATOM 0 HB2 PRO A 95 -13.185 -11.696 -4.542 1.00 53.53 H new ATOM 0 HB3 PRO A 95 -12.207 -11.554 -5.989 1.00 53.53 H new ATOM 0 HG2 PRO A 95 -11.682 -13.464 -4.198 1.00 51.01 H new ATOM 0 HG3 PRO A 95 -10.371 -12.647 -5.025 1.00 51.01 H new ATOM 0 HD2 PRO A 95 -11.394 -12.205 -2.215 1.00 32.10 H new ATOM 0 HD3 PRO A 95 -9.738 -12.251 -2.784 1.00 32.10 H new ATOM 1496 N ALA A 96 -12.802 -8.016 -4.443 1.00 74.31 N ATOM 1497 CA ALA A 96 -13.772 -7.024 -4.019 1.00 0.24 C ATOM 1498 C ALA A 96 -15.182 -7.443 -4.422 1.00 24.13 C ATOM 1499 O ALA A 96 -15.372 -8.012 -5.499 1.00 73.44 O ATOM 1500 CB ALA A 96 -13.410 -5.660 -4.591 1.00 11.45 C ATOM 0 H ALA A 96 -12.126 -7.675 -5.127 1.00 74.31 H new ATOM 0 HA ALA A 96 -13.751 -6.951 -2.932 1.00 0.24 H new ATOM 0 HB1 ALA A 96 -14.145 -4.923 -4.267 1.00 11.45 H new ATOM 0 HB2 ALA A 96 -12.422 -5.368 -4.237 1.00 11.45 H new ATOM 0 HB3 ALA A 96 -13.404 -5.712 -5.680 1.00 11.45 H new ATOM 1506 N PRO A 97 -16.171 -7.128 -3.557 1.00 32.51 N ATOM 1507 CA PRO A 97 -17.561 -7.582 -3.635 1.00 43.41 C ATOM 1508 C PRO A 97 -18.037 -7.995 -5.026 1.00 33.54 C ATOM 1509 O PRO A 97 -18.197 -7.167 -5.928 1.00 13.44 O ATOM 1510 CB PRO A 97 -18.330 -6.358 -3.150 1.00 61.02 C ATOM 1511 CG PRO A 97 -17.366 -5.575 -2.300 1.00 65.44 C ATOM 1512 CD PRO A 97 -16.020 -6.256 -2.390 1.00 63.10 C ATOM 0 HA PRO A 97 -17.705 -8.492 -3.052 1.00 43.41 H new ATOM 0 HB2 PRO A 97 -18.684 -5.761 -3.990 1.00 61.02 H new ATOM 0 HB3 PRO A 97 -19.208 -6.651 -2.575 1.00 61.02 H new ATOM 0 HG2 PRO A 97 -17.298 -4.545 -2.649 1.00 65.44 H new ATOM 0 HG3 PRO A 97 -17.709 -5.540 -1.266 1.00 65.44 H new ATOM 0 HD2 PRO A 97 -15.212 -5.537 -2.525 1.00 63.10 H new ATOM 0 HD3 PRO A 97 -15.794 -6.824 -1.488 1.00 63.10 H new ATOM 1520 N GLY A 98 -18.231 -9.292 -5.182 1.00 41.32 N ATOM 1521 CA GLY A 98 -18.746 -9.854 -6.407 1.00 41.12 C ATOM 1522 C GLY A 98 -17.667 -10.040 -7.433 1.00 12.20 C ATOM 1523 O GLY A 98 -17.264 -11.163 -7.738 1.00 5.54 O ATOM 0 H GLY A 98 -18.034 -9.983 -4.458 1.00 41.32 H new ATOM 0 HA2 GLY A 98 -19.216 -10.814 -6.196 1.00 41.12 H new ATOM 0 HA3 GLY A 98 -19.521 -9.201 -6.809 1.00 41.12 H new ATOM 1527 N ALA A 99 -17.160 -8.924 -7.906 1.00 22.31 N ATOM 1528 CA ALA A 99 -16.218 -8.900 -9.007 1.00 12.44 C ATOM 1529 C ALA A 99 -15.770 -7.473 -9.293 1.00 72.23 C ATOM 1530 O ALA A 99 -15.591 -7.083 -10.444 1.00 5.31 O ATOM 1531 CB ALA A 99 -16.850 -9.508 -10.246 1.00 50.35 C ATOM 0 H ALA A 99 -17.390 -8.001 -7.537 1.00 22.31 H new ATOM 0 HA ALA A 99 -15.344 -9.489 -8.730 1.00 12.44 H new ATOM 0 HB1 ALA A 99 -16.134 -9.485 -11.068 1.00 50.35 H new ATOM 0 HB2 ALA A 99 -17.134 -10.540 -10.040 1.00 50.35 H new ATOM 0 HB3 ALA A 99 -17.736 -8.936 -10.521 1.00 50.35 H new ATOM 1537 N ARG A 100 -15.582 -6.692 -8.237 1.00 41.34 N ATOM 1538 CA ARG A 100 -15.132 -5.313 -8.392 1.00 71.13 C ATOM 1539 C ARG A 100 -13.634 -5.278 -8.654 1.00 12.11 C ATOM 1540 O ARG A 100 -13.063 -4.231 -8.955 1.00 41.44 O ATOM 1541 CB ARG A 100 -15.471 -4.493 -7.147 1.00 4.42 C ATOM 1542 CG ARG A 100 -16.963 -4.339 -6.885 1.00 50.11 C ATOM 1543 CD ARG A 100 -17.647 -3.484 -7.946 1.00 42.43 C ATOM 1544 NE ARG A 100 -17.709 -4.138 -9.257 1.00 61.14 N ATOM 1545 CZ ARG A 100 -18.137 -3.536 -10.371 1.00 42.15 C ATOM 1546 NH1 ARG A 100 -18.483 -2.255 -10.347 1.00 35.24 N ATOM 1547 NH2 ARG A 100 -18.194 -4.210 -11.514 1.00 2.23 N ATOM 0 H ARG A 100 -15.732 -6.985 -7.272 1.00 41.34 H new ATOM 0 HA ARG A 100 -15.650 -4.873 -9.244 1.00 71.13 H new ATOM 0 HB2 ARG A 100 -15.008 -4.963 -6.279 1.00 4.42 H new ATOM 0 HB3 ARG A 100 -15.027 -3.502 -7.247 1.00 4.42 H new ATOM 0 HG2 ARG A 100 -17.429 -5.324 -6.858 1.00 50.11 H new ATOM 0 HG3 ARG A 100 -17.114 -3.888 -5.904 1.00 50.11 H new ATOM 0 HD2 ARG A 100 -18.658 -3.246 -7.617 1.00 42.43 H new ATOM 0 HD3 ARG A 100 -17.113 -2.539 -8.043 1.00 42.43 H new ATOM 0 HE ARG A 100 -17.408 -5.110 -9.323 1.00 61.14 H new ATOM 0 HH11 ARG A 100 -18.423 -1.727 -9.477 1.00 35.24 H new ATOM 0 HH12 ARG A 100 -18.809 -1.799 -11.199 1.00 35.24 H new ATOM 0 HH21 ARG A 100 -17.911 -5.189 -11.543 1.00 2.23 H new ATOM 0 HH22 ARG A 100 -18.521 -3.748 -12.363 1.00 2.23 H new ATOM 1561 N GLY A 101 -13.018 -6.438 -8.549 1.00 51.31 N ATOM 1562 CA GLY A 101 -11.595 -6.555 -8.737 1.00 24.33 C ATOM 1563 C GLY A 101 -10.950 -7.084 -7.488 1.00 31.42 C ATOM 1564 O GLY A 101 -11.538 -7.914 -6.797 1.00 63.32 O ATOM 0 H GLY A 101 -13.489 -7.316 -8.333 1.00 51.31 H new ATOM 0 HA2 GLY A 101 -11.385 -7.221 -9.574 1.00 24.33 H new ATOM 0 HA3 GLY A 101 -11.173 -5.582 -8.990 1.00 24.33 H new ATOM 1568 N THR A 102 -9.767 -6.607 -7.178 1.00 74.35 N ATOM 1569 CA THR A 102 -9.119 -6.976 -5.940 1.00 3.25 C ATOM 1570 C THR A 102 -8.706 -5.728 -5.185 1.00 2.45 C ATOM 1571 O THR A 102 -7.915 -4.924 -5.683 1.00 63.24 O ATOM 1572 CB THR A 102 -7.892 -7.865 -6.195 1.00 25.00 C ATOM 1573 OG1 THR A 102 -8.276 -8.979 -7.014 1.00 51.31 O ATOM 1574 CG2 THR A 102 -7.301 -8.379 -4.890 1.00 51.24 C ATOM 0 H THR A 102 -9.234 -5.964 -7.764 1.00 74.35 H new ATOM 0 HA THR A 102 -9.829 -7.546 -5.342 1.00 3.25 H new ATOM 0 HB THR A 102 -7.134 -7.267 -6.701 1.00 25.00 H new ATOM 0 HG1 THR A 102 -7.474 -9.455 -7.315 1.00 51.31 H new ATOM 0 HG21 THR A 102 -6.435 -9.005 -5.104 1.00 51.24 H new ATOM 0 HG22 THR A 102 -6.995 -7.535 -4.272 1.00 51.24 H new ATOM 0 HG23 THR A 102 -8.050 -8.966 -4.358 1.00 51.24 H new ATOM 1582 N GLU A 103 -9.283 -5.533 -4.013 1.00 71.44 N ATOM 1583 CA GLU A 103 -8.909 -4.405 -3.192 1.00 14.50 C ATOM 1584 C GLU A 103 -7.743 -4.796 -2.307 1.00 31.24 C ATOM 1585 O GLU A 103 -7.685 -5.909 -1.775 1.00 70.55 O ATOM 1586 CB GLU A 103 -10.083 -3.901 -2.350 1.00 54.20 C ATOM 1587 CG GLU A 103 -10.407 -4.772 -1.155 1.00 24.15 C ATOM 1588 CD GLU A 103 -11.668 -4.331 -0.441 1.00 15.41 C ATOM 1589 OE1 GLU A 103 -11.612 -3.347 0.323 1.00 12.42 O ATOM 1590 OE2 GLU A 103 -12.723 -4.968 -0.640 1.00 61.12 O ATOM 0 H GLU A 103 -10.004 -6.135 -3.615 1.00 71.44 H new ATOM 0 HA GLU A 103 -8.612 -3.585 -3.846 1.00 14.50 H new ATOM 0 HB2 GLU A 103 -9.859 -2.893 -2.001 1.00 54.20 H new ATOM 0 HB3 GLU A 103 -10.967 -3.830 -2.984 1.00 54.20 H new ATOM 0 HG2 GLU A 103 -10.521 -5.805 -1.483 1.00 24.15 H new ATOM 0 HG3 GLU A 103 -9.571 -4.750 -0.456 1.00 24.15 H new ATOM 1597 N VAL A 104 -6.806 -3.891 -2.183 1.00 3.54 N ATOM 1598 CA VAL A 104 -5.621 -4.129 -1.388 1.00 35.05 C ATOM 1599 C VAL A 104 -5.646 -3.306 -0.103 1.00 65.42 C ATOM 1600 O VAL A 104 -5.525 -2.080 -0.127 1.00 24.13 O ATOM 1601 CB VAL A 104 -4.332 -3.849 -2.204 1.00 52.35 C ATOM 1602 CG1 VAL A 104 -4.460 -2.573 -3.009 1.00 10.33 C ATOM 1603 CG2 VAL A 104 -3.113 -3.783 -1.297 1.00 54.31 C ATOM 0 H VAL A 104 -6.839 -2.973 -2.626 1.00 3.54 H new ATOM 0 HA VAL A 104 -5.616 -5.183 -1.110 1.00 35.05 H new ATOM 0 HB VAL A 104 -4.198 -4.678 -2.898 1.00 52.35 H new ATOM 0 HG11 VAL A 104 -3.541 -2.403 -3.570 1.00 10.33 H new ATOM 0 HG12 VAL A 104 -5.297 -2.662 -3.701 1.00 10.33 H new ATOM 0 HG13 VAL A 104 -4.634 -1.734 -2.336 1.00 10.33 H new ATOM 0 HG21 VAL A 104 -2.224 -3.586 -1.896 1.00 54.31 H new ATOM 0 HG22 VAL A 104 -3.245 -2.983 -0.568 1.00 54.31 H new ATOM 0 HG23 VAL A 104 -2.996 -4.733 -0.776 1.00 54.31 H new ATOM 1613 N VAL A 105 -5.842 -3.997 1.013 1.00 1.41 N ATOM 1614 CA VAL A 105 -5.770 -3.373 2.319 1.00 53.02 C ATOM 1615 C VAL A 105 -4.331 -3.391 2.806 1.00 41.23 C ATOM 1616 O VAL A 105 -3.771 -4.448 3.105 1.00 54.34 O ATOM 1617 CB VAL A 105 -6.689 -4.066 3.359 1.00 63.14 C ATOM 1618 CG1 VAL A 105 -8.131 -3.623 3.189 1.00 30.41 C ATOM 1619 CG2 VAL A 105 -6.603 -5.578 3.247 1.00 50.24 C ATOM 0 H VAL A 105 -6.053 -4.995 1.035 1.00 1.41 H new ATOM 0 HA VAL A 105 -6.122 -2.347 2.215 1.00 53.02 H new ATOM 0 HB VAL A 105 -6.341 -3.769 4.348 1.00 63.14 H new ATOM 0 HG11 VAL A 105 -8.755 -4.123 3.930 1.00 30.41 H new ATOM 0 HG12 VAL A 105 -8.199 -2.544 3.326 1.00 30.41 H new ATOM 0 HG13 VAL A 105 -8.476 -3.884 2.188 1.00 30.41 H new ATOM 0 HG21 VAL A 105 -7.258 -6.036 3.988 1.00 50.24 H new ATOM 0 HG22 VAL A 105 -6.913 -5.887 2.249 1.00 50.24 H new ATOM 0 HG23 VAL A 105 -5.576 -5.898 3.423 1.00 50.24 H new ATOM 1629 N VAL A 106 -3.731 -2.221 2.855 1.00 13.23 N ATOM 1630 CA VAL A 106 -2.340 -2.100 3.246 1.00 31.33 C ATOM 1631 C VAL A 106 -2.204 -1.226 4.486 1.00 10.41 C ATOM 1632 O VAL A 106 -2.891 -0.214 4.629 1.00 12.31 O ATOM 1633 CB VAL A 106 -1.476 -1.538 2.088 1.00 71.21 C ATOM 1634 CG1 VAL A 106 -2.001 -0.192 1.614 1.00 61.32 C ATOM 1635 CG2 VAL A 106 -0.011 -1.429 2.496 1.00 63.33 C ATOM 0 H VAL A 106 -4.185 -1.336 2.628 1.00 13.23 H new ATOM 0 HA VAL A 106 -1.974 -3.099 3.483 1.00 31.33 H new ATOM 0 HB VAL A 106 -1.545 -2.240 1.257 1.00 71.21 H new ATOM 0 HG11 VAL A 106 -1.375 0.177 0.802 1.00 61.32 H new ATOM 0 HG12 VAL A 106 -3.026 -0.305 1.260 1.00 61.32 H new ATOM 0 HG13 VAL A 106 -1.979 0.518 2.440 1.00 61.32 H new ATOM 0 HG21 VAL A 106 0.570 -1.032 1.664 1.00 63.33 H new ATOM 0 HG22 VAL A 106 0.079 -0.761 3.353 1.00 63.33 H new ATOM 0 HG23 VAL A 106 0.366 -2.416 2.764 1.00 63.33 H new ATOM 1645 N ARG A 107 -1.342 -1.650 5.393 1.00 65.14 N ATOM 1646 CA ARG A 107 -1.071 -0.898 6.605 1.00 12.41 C ATOM 1647 C ARG A 107 0.418 -0.572 6.717 1.00 53.15 C ATOM 1648 O ARG A 107 1.234 -1.429 7.062 1.00 64.54 O ATOM 1649 CB ARG A 107 -1.547 -1.673 7.843 1.00 60.02 C ATOM 1650 CG ARG A 107 -1.050 -3.112 7.908 1.00 1.32 C ATOM 1651 CD ARG A 107 -1.382 -3.758 9.241 1.00 60.51 C ATOM 1652 NE ARG A 107 -0.682 -3.113 10.353 1.00 33.11 N ATOM 1653 CZ ARG A 107 -0.957 -3.345 11.636 1.00 22.34 C ATOM 1654 NH1 ARG A 107 -1.939 -4.169 11.972 1.00 13.21 N ATOM 1655 NH2 ARG A 107 -0.263 -2.739 12.588 1.00 51.42 N ATOM 0 H ARG A 107 -0.814 -2.519 5.311 1.00 65.14 H new ATOM 0 HA ARG A 107 -1.625 0.040 6.554 1.00 12.41 H new ATOM 0 HB2 ARG A 107 -1.216 -1.145 8.738 1.00 60.02 H new ATOM 0 HB3 ARG A 107 -2.637 -1.676 7.859 1.00 60.02 H new ATOM 0 HG2 ARG A 107 -1.500 -3.690 7.101 1.00 1.32 H new ATOM 0 HG3 ARG A 107 0.029 -3.133 7.752 1.00 1.32 H new ATOM 0 HD2 ARG A 107 -2.457 -3.706 9.411 1.00 60.51 H new ATOM 0 HD3 ARG A 107 -1.115 -4.814 9.208 1.00 60.51 H new ATOM 0 HE ARG A 107 0.059 -2.448 10.133 1.00 33.11 H new ATOM 0 HH11 ARG A 107 -2.489 -4.630 11.247 1.00 13.21 H new ATOM 0 HH12 ARG A 107 -2.145 -4.343 12.956 1.00 13.21 H new ATOM 0 HH21 ARG A 107 0.485 -2.092 12.340 1.00 51.42 H new ATOM 0 HH22 ARG A 107 -0.477 -2.920 13.569 1.00 51.42 H new ATOM 1669 N LEU A 108 0.769 0.664 6.403 1.00 13.23 N ATOM 1670 CA LEU A 108 2.152 1.109 6.493 1.00 24.45 C ATOM 1671 C LEU A 108 2.245 2.323 7.414 1.00 53.13 C ATOM 1672 O LEU A 108 1.269 3.063 7.579 1.00 32.41 O ATOM 1673 CB LEU A 108 2.760 1.373 5.090 1.00 72.10 C ATOM 1674 CG LEU A 108 2.302 2.620 4.295 1.00 52.15 C ATOM 1675 CD1 LEU A 108 0.787 2.806 4.310 1.00 65.13 C ATOM 1676 CD2 LEU A 108 3.010 3.870 4.793 1.00 52.51 C ATOM 0 H LEU A 108 0.115 1.379 6.083 1.00 13.23 H new ATOM 0 HA LEU A 108 2.753 0.312 6.931 1.00 24.45 H new ATOM 0 HB2 LEU A 108 3.842 1.437 5.207 1.00 72.10 H new ATOM 0 HB3 LEU A 108 2.557 0.497 4.474 1.00 72.10 H new ATOM 0 HG LEU A 108 2.584 2.451 3.256 1.00 52.15 H new ATOM 0 HD11 LEU A 108 0.524 3.695 3.737 1.00 65.13 H new ATOM 0 HD12 LEU A 108 0.309 1.933 3.865 1.00 65.13 H new ATOM 0 HD13 LEU A 108 0.445 2.922 5.338 1.00 65.13 H new ATOM 0 HD21 LEU A 108 2.672 4.733 4.219 1.00 52.51 H new ATOM 0 HD22 LEU A 108 2.780 4.023 5.847 1.00 52.51 H new ATOM 0 HD23 LEU A 108 4.087 3.752 4.670 1.00 52.51 H new ATOM 1688 N THR A 109 3.399 2.507 8.035 1.00 40.01 N ATOM 1689 CA THR A 109 3.551 3.530 9.051 1.00 24.21 C ATOM 1690 C THR A 109 4.242 4.779 8.498 1.00 11.22 C ATOM 1691 O THR A 109 5.049 4.708 7.566 1.00 0.41 O ATOM 1692 CB THR A 109 4.329 2.990 10.278 1.00 10.41 C ATOM 1693 OG1 THR A 109 4.330 3.952 11.337 1.00 34.04 O ATOM 1694 CG2 THR A 109 5.766 2.637 9.918 1.00 70.40 C ATOM 0 H THR A 109 4.241 1.961 7.852 1.00 40.01 H new ATOM 0 HA THR A 109 2.548 3.812 9.371 1.00 24.21 H new ATOM 0 HB THR A 109 3.821 2.084 10.609 1.00 10.41 H new ATOM 0 HG1 THR A 109 4.824 3.594 12.104 1.00 34.04 H new ATOM 0 HG21 THR A 109 6.281 2.262 10.802 1.00 70.40 H new ATOM 0 HG22 THR A 109 5.769 1.870 9.144 1.00 70.40 H new ATOM 0 HG23 THR A 109 6.278 3.526 9.550 1.00 70.40 H new ATOM 1702 N TYR A 110 3.883 5.921 9.068 1.00 31.52 N ATOM 1703 CA TYR A 110 4.512 7.194 8.761 1.00 52.02 C ATOM 1704 C TYR A 110 5.038 7.810 10.048 1.00 32.21 C ATOM 1705 O TYR A 110 4.587 7.455 11.139 1.00 42.53 O ATOM 1706 CB TYR A 110 3.519 8.180 8.129 1.00 5.03 C ATOM 1707 CG TYR A 110 2.961 7.763 6.786 1.00 11.04 C ATOM 1708 CD1 TYR A 110 3.689 7.955 5.618 1.00 72.35 C ATOM 1709 CD2 TYR A 110 1.696 7.204 6.684 1.00 51.42 C ATOM 1710 CE1 TYR A 110 3.170 7.601 4.388 1.00 75.32 C ATOM 1711 CE2 TYR A 110 1.172 6.842 5.459 1.00 34.01 C ATOM 1712 CZ TYR A 110 1.910 7.044 4.314 1.00 40.20 C ATOM 1713 OH TYR A 110 1.385 6.691 3.089 1.00 32.31 O ATOM 0 H TYR A 110 3.139 5.988 9.763 1.00 31.52 H new ATOM 0 HA TYR A 110 5.318 7.006 8.051 1.00 52.02 H new ATOM 0 HB2 TYR A 110 2.688 8.327 8.820 1.00 5.03 H new ATOM 0 HB3 TYR A 110 4.013 9.145 8.015 1.00 5.03 H new ATOM 0 HD1 TYR A 110 4.677 8.388 5.673 1.00 72.35 H new ATOM 0 HD2 TYR A 110 1.111 7.049 7.578 1.00 51.42 H new ATOM 0 HE1 TYR A 110 3.747 7.759 3.489 1.00 75.32 H new ATOM 0 HE2 TYR A 110 0.187 6.402 5.399 1.00 34.01 H new ATOM 0 HH TYR A 110 0.490 6.312 3.214 1.00 32.31 H new ATOM 1782 N GLY A 115 6.391 19.262 13.870 1.00 13.11 N ATOM 1783 CA GLY A 115 7.712 19.818 14.075 1.00 3.32 C ATOM 1784 C GLY A 115 7.928 21.084 13.274 1.00 4.41 C ATOM 1785 O GLY A 115 7.074 21.470 12.472 1.00 3.02 O ATOM 0 HA2 GLY A 115 7.855 20.031 15.134 1.00 3.32 H new ATOM 0 HA3 GLY A 115 8.463 19.080 13.795 1.00 3.32 H new ATOM 1789 N SER A 116 9.068 21.726 13.479 1.00 2.23 N ATOM 1790 CA SER A 116 9.376 22.980 12.804 1.00 12.25 C ATOM 1791 C SER A 116 9.843 22.747 11.365 1.00 43.21 C ATOM 1792 O SER A 116 9.922 23.684 10.574 1.00 32.12 O ATOM 1793 CB SER A 116 10.441 23.749 13.587 1.00 2.20 C ATOM 1794 OG SER A 116 10.007 24.003 14.914 1.00 13.40 O ATOM 0 H SER A 116 9.799 21.398 14.110 1.00 2.23 H new ATOM 0 HA SER A 116 8.461 23.571 12.763 1.00 12.25 H new ATOM 0 HB2 SER A 116 11.368 23.177 13.606 1.00 2.20 H new ATOM 0 HB3 SER A 116 10.659 24.691 13.084 1.00 2.20 H new ATOM 0 HG SER A 116 10.704 24.494 15.398 1.00 13.40 H new ATOM 1800 N ALA A 117 10.145 21.492 11.031 1.00 61.43 N ATOM 1801 CA ALA A 117 10.622 21.140 9.695 1.00 74.30 C ATOM 1802 C ALA A 117 9.617 21.540 8.623 1.00 32.21 C ATOM 1803 O ALA A 117 9.993 21.984 7.535 1.00 34.24 O ATOM 1804 CB ALA A 117 10.906 19.648 9.610 1.00 11.34 C ATOM 0 H ALA A 117 10.067 20.701 11.670 1.00 61.43 H new ATOM 0 HA ALA A 117 11.545 21.691 9.517 1.00 74.30 H new ATOM 0 HB1 ALA A 117 11.260 19.402 8.609 1.00 11.34 H new ATOM 0 HB2 ALA A 117 11.669 19.381 10.341 1.00 11.34 H new ATOM 0 HB3 ALA A 117 9.992 19.091 9.819 1.00 11.34 H new ATOM 1810 N GLY A 118 8.339 21.405 8.948 1.00 33.42 N ATOM 1811 CA GLY A 118 7.296 21.697 7.988 1.00 72.10 C ATOM 1812 C GLY A 118 7.124 23.181 7.743 1.00 51.42 C ATOM 1813 O GLY A 118 6.658 23.581 6.682 1.00 24.41 O ATOM 0 H GLY A 118 8.006 21.098 9.862 1.00 33.42 H new ATOM 0 HA2 GLY A 118 7.527 21.202 7.045 1.00 72.10 H new ATOM 0 HA3 GLY A 118 6.354 21.280 8.344 1.00 72.10 H new ATOM 1817 N ALA A 119 7.534 23.996 8.708 1.00 51.43 N ATOM 1818 CA ALA A 119 7.316 25.439 8.646 1.00 5.14 C ATOM 1819 C ALA A 119 7.921 26.057 7.387 1.00 12.54 C ATOM 1820 O ALA A 119 7.276 26.853 6.706 1.00 31.24 O ATOM 1821 CB ALA A 119 7.885 26.110 9.884 1.00 63.32 C ATOM 0 H ALA A 119 8.022 23.682 9.547 1.00 51.43 H new ATOM 0 HA ALA A 119 6.239 25.605 8.607 1.00 5.14 H new ATOM 0 HB1 ALA A 119 7.716 27.185 9.825 1.00 63.32 H new ATOM 0 HB2 ALA A 119 7.393 25.713 10.772 1.00 63.32 H new ATOM 0 HB3 ALA A 119 8.955 25.914 9.945 1.00 63.32 H new ATOM 1827 N VAL A 120 9.154 25.680 7.071 1.00 25.43 N ATOM 1828 CA VAL A 120 9.851 26.263 5.934 1.00 70.42 C ATOM 1829 C VAL A 120 9.313 25.735 4.599 1.00 35.31 C ATOM 1830 O VAL A 120 9.125 26.501 3.653 1.00 70.13 O ATOM 1831 CB VAL A 120 11.377 26.028 6.015 1.00 12.31 C ATOM 1832 CG1 VAL A 120 11.981 26.837 7.153 1.00 30.22 C ATOM 1833 CG2 VAL A 120 11.699 24.550 6.191 1.00 13.03 C ATOM 0 H VAL A 120 9.688 24.978 7.583 1.00 25.43 H new ATOM 0 HA VAL A 120 9.663 27.336 5.978 1.00 70.42 H new ATOM 0 HB VAL A 120 11.816 26.361 5.074 1.00 12.31 H new ATOM 0 HG11 VAL A 120 13.056 26.659 7.195 1.00 30.22 H new ATOM 0 HG12 VAL A 120 11.795 27.898 6.984 1.00 30.22 H new ATOM 0 HG13 VAL A 120 11.526 26.534 8.096 1.00 30.22 H new ATOM 0 HG21 VAL A 120 12.780 24.417 6.245 1.00 13.03 H new ATOM 0 HG22 VAL A 120 11.242 24.185 7.111 1.00 13.03 H new ATOM 0 HG23 VAL A 120 11.306 23.989 5.343 1.00 13.03 H new ATOM 1843 N ILE A 121 9.045 24.435 4.526 1.00 12.23 N ATOM 1844 CA ILE A 121 8.591 23.823 3.281 1.00 44.42 C ATOM 1845 C ILE A 121 7.125 24.141 2.997 1.00 4.11 C ATOM 1846 O ILE A 121 6.685 24.106 1.848 1.00 63.20 O ATOM 1847 CB ILE A 121 8.830 22.289 3.268 1.00 0.43 C ATOM 1848 CG1 ILE A 121 8.173 21.592 4.469 1.00 54.11 C ATOM 1849 CG2 ILE A 121 10.321 21.995 3.245 1.00 52.35 C ATOM 1850 CD1 ILE A 121 6.738 21.164 4.233 1.00 74.40 C ATOM 0 H ILE A 121 9.133 23.788 5.309 1.00 12.23 H new ATOM 0 HA ILE A 121 9.191 24.260 2.483 1.00 44.42 H new ATOM 0 HB ILE A 121 8.365 21.892 2.366 1.00 0.43 H new ATOM 0 HG12 ILE A 121 8.763 20.714 4.732 1.00 54.11 H new ATOM 0 HG13 ILE A 121 8.203 22.265 5.326 1.00 54.11 H new ATOM 0 HG21 ILE A 121 10.479 20.917 3.236 1.00 52.35 H new ATOM 0 HG22 ILE A 121 10.765 22.434 2.352 1.00 52.35 H new ATOM 0 HG23 ILE A 121 10.790 22.423 4.131 1.00 52.35 H new ATOM 0 HD11 ILE A 121 6.350 20.681 5.130 1.00 74.40 H new ATOM 0 HD12 ILE A 121 6.131 22.039 4.001 1.00 74.40 H new ATOM 0 HD13 ILE A 121 6.700 20.464 3.398 1.00 74.40 H new ATOM 1862 N ALA A 122 6.378 24.474 4.045 1.00 10.12 N ATOM 1863 CA ALA A 122 4.952 24.764 3.922 1.00 30.11 C ATOM 1864 C ALA A 122 4.698 26.054 3.157 1.00 15.30 C ATOM 1865 O ALA A 122 3.609 26.265 2.619 1.00 41.34 O ATOM 1866 CB ALA A 122 4.318 24.854 5.297 1.00 4.24 C ATOM 0 H ALA A 122 6.739 24.550 4.996 1.00 10.12 H new ATOM 0 HA ALA A 122 4.501 23.947 3.360 1.00 30.11 H new ATOM 0 HB1 ALA A 122 3.255 25.071 5.194 1.00 4.24 H new ATOM 0 HB2 ALA A 122 4.446 23.906 5.820 1.00 4.24 H new ATOM 0 HB3 ALA A 122 4.797 25.650 5.867 1.00 4.24 H new ATOM 1872 N ARG A 123 5.716 26.902 3.096 1.00 13.00 N ATOM 1873 CA ARG A 123 5.598 28.221 2.480 1.00 14.32 C ATOM 1874 C ARG A 123 5.310 28.124 0.981 1.00 72.44 C ATOM 1875 O ARG A 123 4.916 29.107 0.355 1.00 63.23 O ATOM 1876 CB ARG A 123 6.879 29.021 2.717 1.00 71.34 C ATOM 1877 CG ARG A 123 7.217 29.205 4.186 1.00 72.05 C ATOM 1878 CD ARG A 123 8.564 29.882 4.363 1.00 23.54 C ATOM 1879 NE ARG A 123 8.958 29.969 5.769 1.00 21.13 N ATOM 1880 CZ ARG A 123 10.165 30.351 6.182 1.00 64.22 C ATOM 1881 NH1 ARG A 123 11.111 30.641 5.295 1.00 73.40 N ATOM 1882 NH2 ARG A 123 10.429 30.419 7.481 1.00 22.45 N ATOM 0 H ARG A 123 6.643 26.699 3.469 1.00 13.00 H new ATOM 0 HA ARG A 123 4.755 28.732 2.945 1.00 14.32 H new ATOM 0 HB2 ARG A 123 7.709 28.517 2.222 1.00 71.34 H new ATOM 0 HB3 ARG A 123 6.777 30.001 2.251 1.00 71.34 H new ATOM 0 HG2 ARG A 123 6.442 29.802 4.667 1.00 72.05 H new ATOM 0 HG3 ARG A 123 7.227 28.235 4.683 1.00 72.05 H new ATOM 0 HD2 ARG A 123 9.322 29.329 3.808 1.00 23.54 H new ATOM 0 HD3 ARG A 123 8.524 30.884 3.936 1.00 23.54 H new ATOM 0 HE ARG A 123 8.266 29.722 6.476 1.00 21.13 H new ATOM 0 HH11 ARG A 123 10.913 30.571 4.297 1.00 73.40 H new ATOM 0 HH12 ARG A 123 12.035 30.934 5.612 1.00 73.40 H new ATOM 0 HH21 ARG A 123 9.708 30.179 8.161 1.00 22.45 H new ATOM 0 HH22 ARG A 123 11.353 30.711 7.799 1.00 22.45 H new ATOM 1896 N MET A 124 5.505 26.937 0.413 1.00 51.42 N ATOM 1897 CA MET A 124 5.259 26.719 -1.010 1.00 54.45 C ATOM 1898 C MET A 124 3.784 26.933 -1.356 1.00 24.21 C ATOM 1899 O MET A 124 3.467 27.552 -2.372 1.00 54.02 O ATOM 1900 CB MET A 124 5.700 25.307 -1.432 1.00 21.21 C ATOM 1901 CG MET A 124 4.957 24.187 -0.719 1.00 4.32 C ATOM 1902 SD MET A 124 5.502 22.546 -1.230 1.00 22.24 S ATOM 1903 CE MET A 124 4.427 21.516 -0.231 1.00 54.14 C ATOM 0 H MET A 124 5.832 26.112 0.915 1.00 51.42 H new ATOM 0 HA MET A 124 5.851 27.450 -1.561 1.00 54.45 H new ATOM 0 HB2 MET A 124 5.555 25.198 -2.507 1.00 21.21 H new ATOM 0 HB3 MET A 124 6.768 25.199 -1.242 1.00 21.21 H new ATOM 0 HG2 MET A 124 5.097 24.292 0.357 1.00 4.32 H new ATOM 0 HG3 MET A 124 3.889 24.286 -0.912 1.00 4.32 H new ATOM 0 HE1 MET A 124 4.640 20.466 -0.431 1.00 54.14 H new ATOM 0 HE2 MET A 124 4.600 21.726 0.825 1.00 54.14 H new ATOM 0 HE3 MET A 124 3.387 21.729 -0.478 1.00 54.14 H new ATOM 2057 N ARG A 134 -6.700 9.730 1.548 1.00 54.20 N ATOM 2058 CA ARG A 134 -7.200 8.814 0.540 1.00 45.34 C ATOM 2059 C ARG A 134 -6.803 9.259 -0.858 1.00 44.34 C ATOM 2060 O ARG A 134 -6.632 8.428 -1.740 1.00 73.43 O ATOM 2061 CB ARG A 134 -8.721 8.699 0.608 1.00 53.13 C ATOM 2062 CG ARG A 134 -9.243 8.014 1.858 1.00 15.45 C ATOM 2063 CD ARG A 134 -10.762 7.939 1.846 1.00 10.13 C ATOM 2064 NE ARG A 134 -11.273 7.117 0.743 1.00 72.33 N ATOM 2065 CZ ARG A 134 -11.827 7.613 -0.368 1.00 33.30 C ATOM 2066 NH1 ARG A 134 -11.891 8.924 -0.553 1.00 52.53 N ATOM 2067 NH2 ARG A 134 -12.308 6.789 -1.294 1.00 4.24 N ATOM 0 HA ARG A 134 -6.753 7.842 0.747 1.00 45.34 H new ATOM 0 HB2 ARG A 134 -9.152 9.699 0.549 1.00 53.13 H new ATOM 0 HB3 ARG A 134 -9.071 8.149 -0.266 1.00 53.13 H new ATOM 0 HG2 ARG A 134 -8.827 7.009 1.927 1.00 15.45 H new ATOM 0 HG3 ARG A 134 -8.909 8.559 2.741 1.00 15.45 H new ATOM 0 HD2 ARG A 134 -11.110 7.528 2.793 1.00 10.13 H new ATOM 0 HD3 ARG A 134 -11.172 8.946 1.766 1.00 10.13 H new ATOM 0 HE ARG A 134 -11.201 6.103 0.829 1.00 72.33 H new ATOM 0 HH11 ARG A 134 -11.517 9.558 0.153 1.00 52.53 H new ATOM 0 HH12 ARG A 134 -12.314 9.299 -1.402 1.00 52.53 H new ATOM 0 HH21 ARG A 134 -12.254 5.780 -1.156 1.00 4.24 H new ATOM 0 HH22 ARG A 134 -12.731 7.166 -2.142 1.00 4.24 H new ATOM 2081 N ASP A 135 -6.637 10.567 -1.054 1.00 13.12 N ATOM 2082 CA ASP A 135 -6.442 11.118 -2.396 1.00 64.12 C ATOM 2083 C ASP A 135 -5.156 10.607 -3.041 1.00 41.41 C ATOM 2084 O ASP A 135 -5.141 10.301 -4.235 1.00 23.33 O ATOM 2085 CB ASP A 135 -6.467 12.653 -2.385 1.00 4.15 C ATOM 2086 CG ASP A 135 -5.324 13.272 -1.609 1.00 0.13 C ATOM 2087 OD1 ASP A 135 -5.476 13.481 -0.390 1.00 3.44 O ATOM 2088 OD2 ASP A 135 -4.276 13.571 -2.217 1.00 5.03 O ATOM 0 H ASP A 135 -6.633 11.261 -0.307 1.00 13.12 H new ATOM 0 HA ASP A 135 -7.279 10.769 -3.002 1.00 64.12 H new ATOM 0 HB2 ASP A 135 -6.436 13.016 -3.412 1.00 4.15 H new ATOM 0 HB3 ASP A 135 -7.411 12.990 -1.956 1.00 4.15 H new ATOM 2093 N ASP A 136 -4.087 10.486 -2.262 1.00 34.11 N ATOM 2094 CA ASP A 136 -2.826 9.980 -2.802 1.00 41.20 C ATOM 2095 C ASP A 136 -2.948 8.495 -3.116 1.00 32.04 C ATOM 2096 O ASP A 136 -2.324 7.987 -4.044 1.00 42.23 O ATOM 2097 CB ASP A 136 -1.662 10.222 -1.839 1.00 73.33 C ATOM 2098 CG ASP A 136 -0.314 9.987 -2.502 1.00 64.20 C ATOM 2099 OD1 ASP A 136 -0.035 10.641 -3.534 1.00 1.24 O ATOM 2100 OD2 ASP A 136 0.477 9.170 -1.995 1.00 32.10 O ATOM 0 H ASP A 136 -4.064 10.726 -1.271 1.00 34.11 H new ATOM 0 HA ASP A 136 -2.615 10.526 -3.721 1.00 41.20 H new ATOM 0 HB2 ASP A 136 -1.708 11.245 -1.465 1.00 73.33 H new ATOM 0 HB3 ASP A 136 -1.762 9.562 -0.977 1.00 73.33 H new ATOM 2105 N LEU A 137 -3.777 7.805 -2.350 1.00 62.43 N ATOM 2106 CA LEU A 137 -4.012 6.389 -2.575 1.00 61.41 C ATOM 2107 C LEU A 137 -4.971 6.203 -3.753 1.00 21.31 C ATOM 2108 O LEU A 137 -4.923 5.194 -4.456 1.00 70.12 O ATOM 2109 CB LEU A 137 -4.573 5.737 -1.303 1.00 21.21 C ATOM 2110 CG LEU A 137 -4.591 4.206 -1.301 1.00 61.22 C ATOM 2111 CD1 LEU A 137 -3.188 3.654 -1.498 1.00 31.42 C ATOM 2112 CD2 LEU A 137 -5.189 3.680 -0.003 1.00 33.04 C ATOM 0 H LEU A 137 -4.298 8.202 -1.568 1.00 62.43 H new ATOM 0 HA LEU A 137 -3.068 5.902 -2.818 1.00 61.41 H new ATOM 0 HB2 LEU A 137 -3.984 6.077 -0.451 1.00 21.21 H new ATOM 0 HB3 LEU A 137 -5.591 6.095 -1.150 1.00 21.21 H new ATOM 0 HG LEU A 137 -5.214 3.871 -2.130 1.00 61.22 H new ATOM 0 HD11 LEU A 137 -3.222 2.565 -1.494 1.00 31.42 H new ATOM 0 HD12 LEU A 137 -2.791 4.001 -2.452 1.00 31.42 H new ATOM 0 HD13 LEU A 137 -2.544 4.000 -0.690 1.00 31.42 H new ATOM 0 HD21 LEU A 137 -5.194 2.590 -0.020 1.00 33.04 H new ATOM 0 HD22 LEU A 137 -4.592 4.027 0.840 1.00 33.04 H new ATOM 0 HD23 LEU A 137 -6.211 4.045 0.101 1.00 33.04 H new ATOM 2124 N MET A 138 -5.832 7.196 -3.972 1.00 55.12 N ATOM 2125 CA MET A 138 -6.746 7.189 -5.111 1.00 25.42 C ATOM 2126 C MET A 138 -5.971 7.303 -6.413 1.00 53.53 C ATOM 2127 O MET A 138 -6.270 6.612 -7.386 1.00 22.54 O ATOM 2128 CB MET A 138 -7.769 8.330 -5.023 1.00 71.54 C ATOM 2129 CG MET A 138 -8.773 8.209 -3.882 1.00 74.44 C ATOM 2130 SD MET A 138 -9.766 6.701 -3.951 1.00 22.12 S ATOM 2131 CE MET A 138 -8.694 5.542 -3.106 1.00 24.33 C ATOM 0 H MET A 138 -5.915 8.017 -3.373 1.00 55.12 H new ATOM 0 HA MET A 138 -7.286 6.242 -5.088 1.00 25.42 H new ATOM 0 HB2 MET A 138 -7.232 9.272 -4.916 1.00 71.54 H new ATOM 0 HB3 MET A 138 -8.316 8.381 -5.964 1.00 71.54 H new ATOM 0 HG2 MET A 138 -8.238 8.239 -2.933 1.00 74.44 H new ATOM 0 HG3 MET A 138 -9.437 9.073 -3.900 1.00 74.44 H new ATOM 0 HE1 MET A 138 -9.299 4.829 -2.546 1.00 24.33 H new ATOM 0 HE2 MET A 138 -8.087 5.008 -3.837 1.00 24.33 H new ATOM 0 HE3 MET A 138 -8.042 6.083 -2.420 1.00 24.33 H new ATOM 2141 N ARG A 139 -4.965 8.172 -6.432 1.00 41.31 N ATOM 2142 CA ARG A 139 -4.136 8.326 -7.618 1.00 43.10 C ATOM 2143 C ARG A 139 -3.180 7.139 -7.746 1.00 50.00 C ATOM 2144 O ARG A 139 -2.786 6.770 -8.846 1.00 75.13 O ATOM 2145 CB ARG A 139 -3.394 9.678 -7.601 1.00 24.40 C ATOM 2146 CG ARG A 139 -2.335 9.819 -6.516 1.00 5.21 C ATOM 2147 CD ARG A 139 -1.000 9.260 -6.969 1.00 74.24 C ATOM 2148 NE ARG A 139 -0.039 9.162 -5.877 1.00 72.23 N ATOM 2149 CZ ARG A 139 1.076 8.441 -5.938 1.00 31.12 C ATOM 2150 NH1 ARG A 139 1.383 7.770 -7.046 1.00 32.43 N ATOM 2151 NH2 ARG A 139 1.882 8.383 -4.888 1.00 30.23 N ATOM 0 H ARG A 139 -4.708 8.773 -5.649 1.00 41.31 H new ATOM 0 HA ARG A 139 -4.774 8.332 -8.501 1.00 43.10 H new ATOM 0 HB2 ARG A 139 -2.920 9.827 -8.571 1.00 24.40 H new ATOM 0 HB3 ARG A 139 -4.127 10.476 -7.478 1.00 24.40 H new ATOM 0 HG2 ARG A 139 -2.220 10.870 -6.252 1.00 5.21 H new ATOM 0 HG3 ARG A 139 -2.663 9.298 -5.616 1.00 5.21 H new ATOM 0 HD2 ARG A 139 -1.152 8.273 -7.405 1.00 74.24 H new ATOM 0 HD3 ARG A 139 -0.590 9.896 -7.754 1.00 74.24 H new ATOM 0 HE ARG A 139 -0.233 9.676 -5.018 1.00 72.23 H new ATOM 0 HH11 ARG A 139 0.761 7.808 -7.854 1.00 32.43 H new ATOM 0 HH12 ARG A 139 2.240 7.218 -7.087 1.00 32.43 H new ATOM 0 HH21 ARG A 139 1.646 8.891 -4.035 1.00 30.23 H new ATOM 0 HH22 ARG A 139 2.738 7.830 -4.932 1.00 30.23 H new ATOM 2165 N PHE A 140 -2.830 6.530 -6.614 1.00 40.34 N ATOM 2166 CA PHE A 140 -2.046 5.298 -6.618 1.00 71.31 C ATOM 2167 C PHE A 140 -2.819 4.194 -7.340 1.00 5.42 C ATOM 2168 O PHE A 140 -2.247 3.406 -8.095 1.00 51.14 O ATOM 2169 CB PHE A 140 -1.714 4.871 -5.182 1.00 71.03 C ATOM 2170 CG PHE A 140 -1.036 3.533 -5.082 1.00 15.55 C ATOM 2171 CD1 PHE A 140 0.321 3.408 -5.329 1.00 31.43 C ATOM 2172 CD2 PHE A 140 -1.761 2.402 -4.745 1.00 21.51 C ATOM 2173 CE1 PHE A 140 0.944 2.177 -5.239 1.00 41.10 C ATOM 2174 CE2 PHE A 140 -1.146 1.169 -4.654 1.00 22.43 C ATOM 2175 CZ PHE A 140 0.208 1.057 -4.901 1.00 54.11 C ATOM 0 H PHE A 140 -3.077 6.870 -5.684 1.00 40.34 H new ATOM 0 HA PHE A 140 -1.109 5.476 -7.147 1.00 71.31 H new ATOM 0 HB2 PHE A 140 -1.072 5.627 -4.729 1.00 71.03 H new ATOM 0 HB3 PHE A 140 -2.635 4.844 -4.600 1.00 71.03 H new ATOM 0 HD1 PHE A 140 0.899 4.281 -5.595 1.00 31.43 H new ATOM 0 HD2 PHE A 140 -2.820 2.485 -4.551 1.00 21.51 H new ATOM 0 HE1 PHE A 140 2.003 2.091 -5.432 1.00 41.10 H new ATOM 0 HE2 PHE A 140 -1.722 0.295 -4.390 1.00 22.43 H new ATOM 0 HZ PHE A 140 0.692 0.094 -4.830 1.00 54.11 H new ATOM 2185 N LYS A 141 -4.128 4.160 -7.098 1.00 53.10 N ATOM 2186 CA LYS A 141 -5.027 3.248 -7.795 1.00 55.44 C ATOM 2187 C LYS A 141 -4.909 3.460 -9.302 1.00 23.23 C ATOM 2188 O LYS A 141 -4.857 2.505 -10.078 1.00 64.42 O ATOM 2189 CB LYS A 141 -6.467 3.509 -7.347 1.00 53.20 C ATOM 2190 CG LYS A 141 -7.498 2.588 -7.980 1.00 73.53 C ATOM 2191 CD LYS A 141 -8.909 3.134 -7.819 1.00 10.21 C ATOM 2192 CE LYS A 141 -9.252 3.397 -6.363 1.00 53.33 C ATOM 2193 NZ LYS A 141 -10.630 3.930 -6.207 1.00 42.35 N ATOM 0 H LYS A 141 -4.591 4.761 -6.417 1.00 53.10 H new ATOM 0 HA LYS A 141 -4.755 2.220 -7.557 1.00 55.44 H new ATOM 0 HB2 LYS A 141 -6.522 3.406 -6.263 1.00 53.20 H new ATOM 0 HB3 LYS A 141 -6.726 4.541 -7.582 1.00 53.20 H new ATOM 0 HG2 LYS A 141 -7.274 2.463 -9.039 1.00 73.53 H new ATOM 0 HG3 LYS A 141 -7.435 1.601 -7.523 1.00 73.53 H new ATOM 0 HD2 LYS A 141 -9.008 4.059 -8.388 1.00 10.21 H new ATOM 0 HD3 LYS A 141 -9.623 2.425 -8.238 1.00 10.21 H new ATOM 0 HE2 LYS A 141 -9.154 2.473 -5.794 1.00 53.33 H new ATOM 0 HE3 LYS A 141 -8.538 4.107 -5.944 1.00 53.33 H new ATOM 0 HZ1 LYS A 141 -10.614 4.752 -5.570 1.00 42.35 H new ATOM 0 HZ2 LYS A 141 -10.998 4.219 -7.136 1.00 42.35 H new ATOM 0 HZ3 LYS A 141 -11.244 3.193 -5.806 1.00 42.35 H new ATOM 2207 N ARG A 142 -4.844 4.730 -9.684 1.00 2.30 N ATOM 2208 CA ARG A 142 -4.730 5.133 -11.085 1.00 31.03 C ATOM 2209 C ARG A 142 -3.482 4.532 -11.730 1.00 41.23 C ATOM 2210 O ARG A 142 -3.552 3.963 -12.817 1.00 74.41 O ATOM 2211 CB ARG A 142 -4.669 6.659 -11.192 1.00 54.32 C ATOM 2212 CG ARG A 142 -5.749 7.280 -12.065 1.00 52.34 C ATOM 2213 CD ARG A 142 -7.129 7.153 -11.443 1.00 3.41 C ATOM 2214 NE ARG A 142 -7.918 6.086 -12.051 1.00 11.51 N ATOM 2215 CZ ARG A 142 -8.857 6.294 -12.974 1.00 1.41 C ATOM 2216 NH1 ARG A 142 -9.117 7.527 -13.401 1.00 11.11 N ATOM 2217 NH2 ARG A 142 -9.531 5.272 -13.475 1.00 22.10 N ATOM 0 H ARG A 142 -4.869 5.513 -9.031 1.00 2.30 H new ATOM 0 HA ARG A 142 -5.610 4.763 -11.612 1.00 31.03 H new ATOM 0 HB2 ARG A 142 -4.743 7.083 -10.190 1.00 54.32 H new ATOM 0 HB3 ARG A 142 -3.694 6.943 -11.587 1.00 54.32 H new ATOM 0 HG2 ARG A 142 -5.521 8.333 -12.229 1.00 52.34 H new ATOM 0 HG3 ARG A 142 -5.746 6.798 -13.042 1.00 52.34 H new ATOM 0 HD2 ARG A 142 -7.027 6.962 -10.375 1.00 3.41 H new ATOM 0 HD3 ARG A 142 -7.660 8.099 -11.548 1.00 3.41 H new ATOM 0 HE ARG A 142 -7.741 5.127 -11.753 1.00 11.51 H new ATOM 0 HH11 ARG A 142 -8.597 8.318 -13.022 1.00 11.11 H new ATOM 0 HH12 ARG A 142 -9.836 7.681 -14.107 1.00 11.11 H new ATOM 0 HH21 ARG A 142 -9.332 4.324 -13.155 1.00 22.10 H new ATOM 0 HH22 ARG A 142 -10.249 5.432 -14.181 1.00 22.10 H new ATOM 2231 N GLU A 143 -2.342 4.666 -11.054 1.00 52.43 N ATOM 2232 CA GLU A 143 -1.079 4.119 -11.555 1.00 45.21 C ATOM 2233 C GLU A 143 -1.134 2.598 -11.679 1.00 43.05 C ATOM 2234 O GLU A 143 -0.489 2.017 -12.551 1.00 45.22 O ATOM 2235 CB GLU A 143 0.094 4.514 -10.646 1.00 10.40 C ATOM 2236 CG GLU A 143 0.717 5.869 -10.961 1.00 61.44 C ATOM 2237 CD GLU A 143 -0.150 7.049 -10.566 1.00 12.13 C ATOM 2238 OE1 GLU A 143 -1.009 7.456 -11.376 1.00 13.20 O ATOM 2239 OE2 GLU A 143 0.049 7.593 -9.457 1.00 53.24 O ATOM 0 H GLU A 143 -2.265 5.148 -10.158 1.00 52.43 H new ATOM 0 HA GLU A 143 -0.923 4.544 -12.547 1.00 45.21 H new ATOM 0 HB2 GLU A 143 -0.251 4.520 -9.612 1.00 10.40 H new ATOM 0 HB3 GLU A 143 0.866 3.748 -10.720 1.00 10.40 H new ATOM 0 HG2 GLU A 143 1.675 5.946 -10.447 1.00 61.44 H new ATOM 0 HG3 GLU A 143 0.923 5.924 -12.030 1.00 61.44 H new ATOM 2246 N GLN A 144 -1.899 1.957 -10.811 1.00 2.32 N ATOM 2247 CA GLN A 144 -2.013 0.507 -10.828 1.00 31.23 C ATOM 2248 C GLN A 144 -2.920 0.047 -11.970 1.00 53.24 C ATOM 2249 O GLN A 144 -2.597 -0.898 -12.687 1.00 61.21 O ATOM 2250 CB GLN A 144 -2.539 0.001 -9.483 1.00 42.51 C ATOM 2251 CG GLN A 144 -2.714 -1.507 -9.411 1.00 74.23 C ATOM 2252 CD GLN A 144 -1.427 -2.278 -9.643 1.00 61.41 C ATOM 2253 OE1 GLN A 144 -1.097 -2.637 -10.769 1.00 40.20 O ATOM 2254 NE2 GLN A 144 -0.692 -2.539 -8.577 1.00 61.34 N ATOM 0 H GLN A 144 -2.450 2.417 -10.086 1.00 2.32 H new ATOM 0 HA GLN A 144 -1.022 0.085 -10.994 1.00 31.23 H new ATOM 0 HB2 GLN A 144 -1.853 0.314 -8.696 1.00 42.51 H new ATOM 0 HB3 GLN A 144 -3.498 0.477 -9.278 1.00 42.51 H new ATOM 0 HG2 GLN A 144 -3.116 -1.772 -8.433 1.00 74.23 H new ATOM 0 HG3 GLN A 144 -3.451 -1.815 -10.152 1.00 74.23 H new ATOM 0 HE21 GLN A 144 -0.999 -2.224 -7.657 1.00 61.34 H new ATOM 0 HE22 GLN A 144 0.182 -3.055 -8.674 1.00 61.34 H new ATOM 2263 N GLU A 145 -4.043 0.732 -12.157 1.00 52.04 N ATOM 2264 CA GLU A 145 -4.973 0.370 -13.222 1.00 22.53 C ATOM 2265 C GLU A 145 -4.495 0.915 -14.564 1.00 55.12 C ATOM 2266 O GLU A 145 -5.114 0.672 -15.602 1.00 31.11 O ATOM 2267 CB GLU A 145 -6.386 0.864 -12.914 1.00 61.14 C ATOM 2268 CG GLU A 145 -6.511 2.373 -12.856 1.00 64.13 C ATOM 2269 CD GLU A 145 -7.909 2.824 -12.511 1.00 2.43 C ATOM 2270 OE1 GLU A 145 -8.835 2.567 -13.310 1.00 65.24 O ATOM 2271 OE2 GLU A 145 -8.091 3.442 -11.447 1.00 13.52 O ATOM 0 H GLU A 145 -4.330 1.532 -11.593 1.00 52.04 H new ATOM 0 HA GLU A 145 -5.003 -0.718 -13.282 1.00 22.53 H new ATOM 0 HB2 GLU A 145 -7.067 0.482 -13.674 1.00 61.14 H new ATOM 0 HB3 GLU A 145 -6.706 0.446 -11.960 1.00 61.14 H new ATOM 0 HG2 GLU A 145 -5.813 2.764 -12.115 1.00 64.13 H new ATOM 0 HG3 GLU A 145 -6.224 2.795 -13.819 1.00 64.13 H new ATOM 2278 N LEU A 146 -3.407 1.675 -14.528 1.00 13.41 N ATOM 2279 CA LEU A 146 -2.730 2.110 -15.738 1.00 4.52 C ATOM 2280 C LEU A 146 -2.144 0.897 -16.447 1.00 33.02 C ATOM 2281 O LEU A 146 -2.138 0.817 -17.678 1.00 34.35 O ATOM 2282 CB LEU A 146 -1.624 3.111 -15.391 1.00 1.01 C ATOM 2283 CG LEU A 146 -0.815 3.645 -16.577 1.00 31.44 C ATOM 2284 CD1 LEU A 146 -1.698 4.462 -17.511 1.00 34.41 C ATOM 2285 CD2 LEU A 146 0.360 4.478 -16.085 1.00 3.25 C ATOM 0 H LEU A 146 -2.974 2.004 -13.665 1.00 13.41 H new ATOM 0 HA LEU A 146 -3.444 2.603 -16.399 1.00 4.52 H new ATOM 0 HB2 LEU A 146 -2.075 3.957 -14.872 1.00 1.01 H new ATOM 0 HB3 LEU A 146 -0.937 2.637 -14.690 1.00 1.01 H new ATOM 0 HG LEU A 146 -0.426 2.795 -17.137 1.00 31.44 H new ATOM 0 HD11 LEU A 146 -1.102 4.831 -18.346 1.00 34.41 H new ATOM 0 HD12 LEU A 146 -2.505 3.835 -17.891 1.00 34.41 H new ATOM 0 HD13 LEU A 146 -2.121 5.306 -16.966 1.00 34.41 H new ATOM 0 HD21 LEU A 146 0.925 4.850 -16.939 1.00 3.25 H new ATOM 0 HD22 LEU A 146 -0.010 5.320 -15.500 1.00 3.25 H new ATOM 0 HD23 LEU A 146 1.008 3.861 -15.462 1.00 3.25 H new ATOM 2297 N GLY A 147 -1.667 -0.051 -15.652 1.00 73.43 N ATOM 2298 CA GLY A 147 -1.144 -1.288 -16.195 1.00 4.41 C ATOM 2299 C GLY A 147 -2.245 -2.238 -16.627 1.00 22.21 C ATOM 2300 O GLY A 147 -2.704 -3.062 -15.832 1.00 51.14 O ATOM 0 H GLY A 147 -1.633 0.016 -14.635 1.00 73.43 H new ATOM 0 HA2 GLY A 147 -0.504 -1.065 -17.048 1.00 4.41 H new ATOM 0 HA3 GLY A 147 -0.519 -1.776 -15.446 1.00 4.41 H new