USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 800 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 29 GLN : amide:sc= -0.85! X(o=-0.45!,f=-0.16) USER MOD Set 1.2: A 107 ASN : amide:sc= 0.402 X(o=-0.45,f=-0.16) USER MOD Set 2.1: A 93 ASN : amide:sc= -5.75! C(o=-5.1!,f=-14!) USER MOD Set 2.2: A 97 SER OG : rot 64:sc= 0.662 USER MOD Set 3.1: A 69 SER OG : rot 180:sc= 0.923 USER MOD Set 3.2: A 87 LYS NZ :NH3+ 172:sc= 1.45 (180deg=0.215) USER MOD Set 4.1: A 24 TYR OH : rot 21:sc= 1.91 USER MOD Set 4.2: A 49 ASN : amide:sc= 1.42 K(o=3.9,f=2.8) USER MOD Set 4.3: A 51 ASN : amide:sc= 0.574 K(o=3.9,f=3.1) USER MOD Set 5.1: A 40 LYS NZ :NH3+ 148:sc= 3.35 (180deg=1.96) USER MOD Set 5.2: A 42 ASN : amide:sc= 0.87 K(o=3.6,f=-3!) USER MOD Set 5.3: A 62 SER OG : rot -171:sc= 1.25 USER MOD Set 5.4: A 91 GLN : amide:sc= -1.84! C(o=3.6!,f=0.54!) USER MOD Set 6.1: A 27 THR OG1 : rot 77:sc= 1.27 USER MOD Set 6.2: A 74 MET CE :methyl 169:sc= -2.37 (180deg=-2.61!) USER MOD Set 7.1: A 19 ASN : amide:sc= 1.51 K(o=2.3,f=-2.3!) USER MOD Set 7.2: A 80 ASN : amide:sc= 0.814 K(o=2.3,f=-2.3) USER MOD Set 8.1: A 8 LYS NZ :NH3+ -162:sc= 1.18 (180deg=-0.0657) USER MOD Set 8.2: A 11 TYR OH : rot -149:sc= 1.15 USER MOD Single : A 6 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.098) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0667 K(o=-0.067,f=-0.68) USER MOD Single : A 18 TYR OH : rot 70:sc= 0.0695 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 22 THR OG1 : rot 170:sc= -0.0181 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 32 GLN : amide:sc= -0.0992 K(o=-0.099,f=-1.1) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.0196 F(o=-1.2,f=-0.02) USER MOD Single : A 35 GLN : amide:sc= -0.885 K(o=-0.89,f=-4!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot -130:sc= -2.38! USER MOD Single : A 41 SER OG : rot 3:sc= 0.103 USER MOD Single : A 44 TYR OH : rot 64:sc= 1.52 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -147:sc= 0.589! (180deg=-1.31) USER MOD Single : A 52 ASN : amide:sc= 0.294 X(o=0.29,f=-0.12) USER MOD Single : A 54 THR OG1 : rot -20:sc= 0.279 USER MOD Single : A 60 SER OG : rot 92:sc= 1.07 USER MOD Single : A 64 SER OG : rot 10:sc= 0.417 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.137 K(o=-0.14,f=-2.3!) USER MOD Single : A 75 LYS NZ :NH3+ -121:sc= -1.22 (180deg=-2!) USER MOD Single : A 76 LYS NZ :NH3+ -164:sc= 1.31 (180deg=1.2) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 82 THR OG1 : rot 76:sc= 0.954 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 139:sc= 1.01 USER MOD Single : A 94 SER OG : rot -30:sc= 0.459 USER MOD Single : A 98 SER OG : rot 72:sc= 1 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0.218 X(o=0.22,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 72 N GLN A 6 -2.627 -12.342 4.727 1.00 4.33 N ATOM 73 CA GLN A 6 -1.501 -13.227 4.853 1.00 22.33 C ATOM 74 C GLN A 6 -0.218 -12.453 4.939 1.00 72.00 C ATOM 75 O GLN A 6 -0.051 -11.428 4.271 1.00 43.25 O ATOM 76 CB GLN A 6 -1.436 -14.203 3.665 1.00 22.22 C ATOM 77 CG GLN A 6 -2.519 -15.272 3.662 1.00 20.51 C ATOM 78 CD GLN A 6 -2.356 -16.265 4.802 1.00 30.42 C ATOM 79 OE1 GLN A 6 -1.698 -17.277 4.658 1.00 0.40 O ATOM 80 NE2 GLN A 6 -2.928 -15.973 5.941 1.00 74.11 N ATOM 0 HA GLN A 6 -1.632 -13.797 5.773 1.00 22.33 H new ATOM 0 HB2 GLN A 6 -1.505 -13.632 2.739 1.00 22.22 H new ATOM 0 HB3 GLN A 6 -0.462 -14.692 3.666 1.00 22.22 H new ATOM 0 HG2 GLN A 6 -3.496 -14.795 3.736 1.00 20.51 H new ATOM 0 HG3 GLN A 6 -2.496 -15.806 2.712 1.00 20.51 H new ATOM 0 HE21 GLN A 6 -3.474 -15.117 6.033 1.00 74.11 H new ATOM 0 HE22 GLN A 6 -2.828 -16.602 6.738 1.00 74.11 H new ATOM 89 N TYR A 7 0.639 -12.907 5.797 1.00 55.54 N ATOM 90 CA TYR A 7 1.961 -12.388 5.936 1.00 63.52 C ATOM 91 C TYR A 7 2.921 -13.531 5.683 1.00 12.21 C ATOM 92 O TYR A 7 2.908 -14.528 6.401 1.00 63.22 O ATOM 93 CB TYR A 7 2.175 -11.709 7.321 1.00 61.11 C ATOM 94 CG TYR A 7 1.827 -12.553 8.544 1.00 13.41 C ATOM 95 CD1 TYR A 7 0.510 -12.662 8.985 1.00 43.12 C ATOM 96 CD2 TYR A 7 2.812 -13.228 9.258 1.00 34.44 C ATOM 97 CE1 TYR A 7 0.187 -13.418 10.093 1.00 60.34 C ATOM 98 CE2 TYR A 7 2.494 -13.987 10.368 1.00 4.44 C ATOM 99 CZ TYR A 7 1.181 -14.078 10.781 1.00 41.13 C ATOM 100 OH TYR A 7 0.861 -14.831 11.886 1.00 32.44 O ATOM 0 H TYR A 7 0.431 -13.672 6.439 1.00 55.54 H new ATOM 0 HA TYR A 7 2.141 -11.595 5.210 1.00 63.52 H new ATOM 0 HB2 TYR A 7 3.220 -11.408 7.398 1.00 61.11 H new ATOM 0 HB3 TYR A 7 1.578 -10.798 7.352 1.00 61.11 H new ATOM 0 HD1 TYR A 7 -0.273 -12.145 8.450 1.00 43.12 H new ATOM 0 HD2 TYR A 7 3.842 -13.158 8.940 1.00 34.44 H new ATOM 0 HE1 TYR A 7 -0.840 -13.492 10.419 1.00 60.34 H new ATOM 0 HE2 TYR A 7 3.270 -14.507 10.910 1.00 4.44 H new ATOM 0 HH TYR A 7 1.675 -15.232 12.256 1.00 32.44 H new ATOM 110 N LYS A 8 3.694 -13.430 4.647 1.00 51.23 N ATOM 111 CA LYS A 8 4.567 -14.506 4.274 1.00 50.03 C ATOM 112 C LYS A 8 5.795 -13.941 3.636 1.00 61.11 C ATOM 113 O LYS A 8 5.690 -13.025 2.874 1.00 4.24 O ATOM 114 CB LYS A 8 3.873 -15.411 3.261 1.00 34.43 C ATOM 115 CG LYS A 8 4.647 -16.689 2.971 1.00 75.52 C ATOM 116 CD LYS A 8 4.019 -17.510 1.864 1.00 41.41 C ATOM 117 CE LYS A 8 4.814 -18.790 1.610 1.00 54.20 C ATOM 118 NZ LYS A 8 6.239 -18.519 1.292 1.00 20.54 N ATOM 0 H LYS A 8 3.740 -12.611 4.040 1.00 51.23 H new ATOM 0 HA LYS A 8 4.826 -15.079 5.164 1.00 50.03 H new ATOM 0 HB2 LYS A 8 2.882 -15.670 3.634 1.00 34.43 H new ATOM 0 HB3 LYS A 8 3.730 -14.861 2.331 1.00 34.43 H new ATOM 0 HG2 LYS A 8 5.670 -16.435 2.695 1.00 75.52 H new ATOM 0 HG3 LYS A 8 4.702 -17.290 3.878 1.00 75.52 H new ATOM 0 HD2 LYS A 8 2.993 -17.763 2.132 1.00 41.41 H new ATOM 0 HD3 LYS A 8 3.974 -16.919 0.949 1.00 41.41 H new ATOM 0 HE2 LYS A 8 4.757 -19.430 2.490 1.00 54.20 H new ATOM 0 HE3 LYS A 8 4.359 -19.339 0.786 1.00 54.20 H new ATOM 0 HZ1 LYS A 8 6.658 -19.355 0.838 1.00 20.54 H new ATOM 0 HZ2 LYS A 8 6.302 -17.706 0.646 1.00 20.54 H new ATOM 0 HZ3 LYS A 8 6.756 -18.306 2.169 1.00 20.54 H new ATOM 132 N ASP A 9 6.951 -14.485 3.989 1.00 51.40 N ATOM 133 CA ASP A 9 8.280 -14.119 3.412 1.00 22.44 C ATOM 134 C ASP A 9 8.467 -12.596 3.421 1.00 44.03 C ATOM 135 O ASP A 9 9.089 -12.023 2.535 1.00 14.41 O ATOM 136 CB ASP A 9 8.405 -14.615 1.939 1.00 32.13 C ATOM 137 CG ASP A 9 7.884 -16.023 1.676 1.00 1.51 C ATOM 138 OD1 ASP A 9 7.997 -16.927 2.549 1.00 22.43 O ATOM 139 OD2 ASP A 9 7.253 -16.247 0.603 1.00 43.44 O ATOM 0 H ASP A 9 7.015 -15.213 4.700 1.00 51.40 H new ATOM 0 HA ASP A 9 9.044 -14.596 4.026 1.00 22.44 H new ATOM 0 HB2 ASP A 9 7.868 -13.921 1.293 1.00 32.13 H new ATOM 0 HB3 ASP A 9 9.455 -14.574 1.648 1.00 32.13 H new ATOM 144 N GLY A 10 7.969 -11.958 4.457 1.00 63.11 N ATOM 145 CA GLY A 10 8.076 -10.531 4.562 1.00 13.03 C ATOM 146 C GLY A 10 6.849 -9.796 4.032 1.00 44.22 C ATOM 147 O GLY A 10 6.429 -8.798 4.635 1.00 54.34 O ATOM 0 H GLY A 10 7.488 -12.410 5.235 1.00 63.11 H new ATOM 0 HA2 GLY A 10 8.231 -10.261 5.607 1.00 13.03 H new ATOM 0 HA3 GLY A 10 8.957 -10.198 4.013 1.00 13.03 H new ATOM 151 N TYR A 11 6.255 -10.305 2.949 1.00 40.13 N ATOM 152 CA TYR A 11 5.126 -9.637 2.295 1.00 4.31 C ATOM 153 C TYR A 11 3.826 -9.748 3.056 1.00 32.30 C ATOM 154 O TYR A 11 3.520 -10.776 3.670 1.00 61.44 O ATOM 155 CB TYR A 11 4.949 -9.984 0.785 1.00 42.22 C ATOM 156 CG TYR A 11 4.961 -11.442 0.396 1.00 30.25 C ATOM 157 CD1 TYR A 11 3.819 -12.235 0.497 1.00 43.14 C ATOM 158 CD2 TYR A 11 6.118 -12.023 -0.088 1.00 62.21 C ATOM 159 CE1 TYR A 11 3.850 -13.569 0.129 1.00 70.24 C ATOM 160 CE2 TYR A 11 6.156 -13.343 -0.455 1.00 73.30 C ATOM 161 CZ TYR A 11 5.027 -14.115 -0.347 1.00 75.32 C ATOM 162 OH TYR A 11 5.087 -15.446 -0.695 1.00 51.41 O ATOM 0 H TYR A 11 6.538 -11.179 2.506 1.00 40.13 H new ATOM 0 HA TYR A 11 5.411 -8.585 2.321 1.00 4.31 H new ATOM 0 HB2 TYR A 11 4.004 -9.555 0.450 1.00 42.22 H new ATOM 0 HB3 TYR A 11 5.741 -9.482 0.230 1.00 42.22 H new ATOM 0 HD1 TYR A 11 2.900 -11.804 0.866 1.00 43.14 H new ATOM 0 HD2 TYR A 11 7.012 -11.424 -0.179 1.00 62.21 H new ATOM 0 HE1 TYR A 11 2.962 -14.178 0.213 1.00 70.24 H new ATOM 0 HE2 TYR A 11 7.073 -13.775 -0.828 1.00 73.30 H new ATOM 0 HH TYR A 11 5.992 -15.786 -0.534 1.00 51.41 H new ATOM 172 N TYR A 12 3.083 -8.667 3.029 1.00 11.44 N ATOM 173 CA TYR A 12 1.833 -8.561 3.730 1.00 30.30 C ATOM 174 C TYR A 12 0.727 -8.261 2.737 1.00 42.43 C ATOM 175 O TYR A 12 0.841 -7.318 1.938 1.00 14.01 O ATOM 176 CB TYR A 12 1.920 -7.466 4.810 1.00 14.21 C ATOM 177 CG TYR A 12 0.661 -7.287 5.640 1.00 71.04 C ATOM 178 CD1 TYR A 12 0.372 -8.149 6.686 1.00 10.35 C ATOM 179 CD2 TYR A 12 -0.230 -6.256 5.377 1.00 53.21 C ATOM 180 CE1 TYR A 12 -0.770 -7.992 7.447 1.00 35.40 C ATOM 181 CE2 TYR A 12 -1.371 -6.092 6.132 1.00 42.10 C ATOM 182 CZ TYR A 12 -1.639 -6.961 7.165 1.00 73.34 C ATOM 183 OH TYR A 12 -2.785 -6.799 7.919 1.00 42.53 O ATOM 0 H TYR A 12 3.337 -7.826 2.511 1.00 11.44 H new ATOM 0 HA TYR A 12 1.611 -9.504 4.229 1.00 30.30 H new ATOM 0 HB2 TYR A 12 2.748 -7.700 5.479 1.00 14.21 H new ATOM 0 HB3 TYR A 12 2.158 -6.518 4.328 1.00 14.21 H new ATOM 0 HD1 TYR A 12 1.052 -8.958 6.910 1.00 10.35 H new ATOM 0 HD2 TYR A 12 -0.026 -5.571 4.567 1.00 53.21 H new ATOM 0 HE1 TYR A 12 -0.980 -8.673 8.258 1.00 35.40 H new ATOM 0 HE2 TYR A 12 -2.053 -5.284 5.914 1.00 42.10 H new ATOM 0 HH TYR A 12 -3.287 -6.024 7.589 1.00 42.53 H new ATOM 193 N ILE A 13 -0.296 -9.062 2.754 1.00 52.21 N ATOM 194 CA ILE A 13 -1.442 -8.876 1.897 1.00 71.12 C ATOM 195 C ILE A 13 -2.688 -8.894 2.776 1.00 65.00 C ATOM 196 O ILE A 13 -2.796 -9.748 3.650 1.00 12.23 O ATOM 197 CB ILE A 13 -1.539 -10.028 0.844 1.00 52.13 C ATOM 198 CG1 ILE A 13 -0.240 -10.120 0.020 1.00 22.45 C ATOM 199 CG2 ILE A 13 -2.738 -9.816 -0.079 1.00 45.43 C ATOM 200 CD1 ILE A 13 -0.200 -11.284 -0.951 1.00 22.34 C ATOM 0 H ILE A 13 -0.365 -9.874 3.368 1.00 52.21 H new ATOM 0 HA ILE A 13 -1.350 -7.931 1.362 1.00 71.12 H new ATOM 0 HB ILE A 13 -1.677 -10.967 1.380 1.00 52.13 H new ATOM 0 HG12 ILE A 13 -0.110 -9.192 -0.537 1.00 22.45 H new ATOM 0 HG13 ILE A 13 0.605 -10.202 0.703 1.00 22.45 H new ATOM 0 HG21 ILE A 13 -2.787 -10.628 -0.804 1.00 45.43 H new ATOM 0 HG22 ILE A 13 -3.654 -9.801 0.512 1.00 45.43 H new ATOM 0 HG23 ILE A 13 -2.630 -8.867 -0.604 1.00 45.43 H new ATOM 0 HD11 ILE A 13 0.747 -11.276 -1.490 1.00 22.34 H new ATOM 0 HD12 ILE A 13 -0.296 -12.220 -0.401 1.00 22.34 H new ATOM 0 HD13 ILE A 13 -1.022 -11.194 -1.661 1.00 22.34 H new ATOM 212 N THR A 14 -3.595 -7.964 2.581 1.00 60.44 N ATOM 213 CA THR A 14 -4.813 -7.943 3.356 1.00 23.41 C ATOM 214 C THR A 14 -5.915 -7.239 2.567 1.00 51.42 C ATOM 215 O THR A 14 -5.632 -6.510 1.613 1.00 54.41 O ATOM 216 CB THR A 14 -4.608 -7.267 4.758 1.00 0.24 C ATOM 217 OG1 THR A 14 -5.731 -7.536 5.623 1.00 55.14 O ATOM 218 CG2 THR A 14 -4.449 -5.756 4.633 1.00 42.42 C ATOM 0 H THR A 14 -3.512 -7.214 1.894 1.00 60.44 H new ATOM 0 HA THR A 14 -5.110 -8.975 3.545 1.00 23.41 H new ATOM 0 HB THR A 14 -3.698 -7.690 5.183 1.00 0.24 H new ATOM 0 HG1 THR A 14 -5.584 -7.108 6.492 1.00 55.14 H new ATOM 0 HG21 THR A 14 -4.309 -5.322 5.623 1.00 42.42 H new ATOM 0 HG22 THR A 14 -3.581 -5.532 4.012 1.00 42.42 H new ATOM 0 HG23 THR A 14 -5.343 -5.333 4.174 1.00 42.42 H new ATOM 226 N THR A 15 -7.137 -7.475 2.942 1.00 43.21 N ATOM 227 CA THR A 15 -8.263 -6.892 2.290 1.00 51.44 C ATOM 228 C THR A 15 -8.906 -5.840 3.192 1.00 23.42 C ATOM 229 O THR A 15 -9.290 -6.134 4.331 1.00 32.14 O ATOM 230 CB THR A 15 -9.288 -7.980 1.961 1.00 42.02 C ATOM 231 OG1 THR A 15 -8.620 -9.062 1.283 1.00 23.45 O ATOM 232 CG2 THR A 15 -10.400 -7.431 1.080 1.00 43.55 C ATOM 0 H THR A 15 -7.379 -8.087 3.721 1.00 43.21 H new ATOM 0 HA THR A 15 -7.930 -6.415 1.368 1.00 51.44 H new ATOM 0 HB THR A 15 -9.735 -8.337 2.889 1.00 42.02 H new ATOM 0 HG1 THR A 15 -9.269 -9.765 1.070 1.00 23.45 H new ATOM 0 HG21 THR A 15 -11.115 -8.224 0.861 1.00 43.55 H new ATOM 0 HG22 THR A 15 -10.907 -6.618 1.599 1.00 43.55 H new ATOM 0 HG23 THR A 15 -9.975 -7.058 0.148 1.00 43.55 H new ATOM 240 N LEU A 16 -9.003 -4.639 2.688 1.00 60.44 N ATOM 241 CA LEU A 16 -9.613 -3.545 3.386 1.00 45.31 C ATOM 242 C LEU A 16 -10.941 -3.265 2.745 1.00 64.30 C ATOM 243 O LEU A 16 -11.010 -3.050 1.536 1.00 70.31 O ATOM 244 CB LEU A 16 -8.743 -2.295 3.277 1.00 65.15 C ATOM 245 CG LEU A 16 -7.366 -2.341 3.949 1.00 14.21 C ATOM 246 CD1 LEU A 16 -6.613 -1.045 3.693 1.00 32.53 C ATOM 247 CD2 LEU A 16 -7.503 -2.586 5.448 1.00 33.53 C ATOM 0 H LEU A 16 -8.653 -4.391 1.763 1.00 60.44 H new ATOM 0 HA LEU A 16 -9.731 -3.804 4.438 1.00 45.31 H new ATOM 0 HB2 LEU A 16 -8.596 -2.077 2.219 1.00 65.15 H new ATOM 0 HB3 LEU A 16 -9.298 -1.458 3.701 1.00 65.15 H new ATOM 0 HG LEU A 16 -6.801 -3.168 3.518 1.00 14.21 H new ATOM 0 HD11 LEU A 16 -5.637 -1.090 4.175 1.00 32.53 H new ATOM 0 HD12 LEU A 16 -6.481 -0.906 2.620 1.00 32.53 H new ATOM 0 HD13 LEU A 16 -7.180 -0.208 4.100 1.00 32.53 H new ATOM 0 HD21 LEU A 16 -6.513 -2.615 5.904 1.00 33.53 H new ATOM 0 HD22 LEU A 16 -8.086 -1.781 5.896 1.00 33.53 H new ATOM 0 HD23 LEU A 16 -8.008 -3.537 5.617 1.00 33.53 H new ATOM 259 N ASN A 17 -11.992 -3.250 3.511 1.00 10.21 N ATOM 260 CA ASN A 17 -13.293 -3.014 2.922 1.00 71.40 C ATOM 261 C ASN A 17 -13.565 -1.519 2.810 1.00 20.25 C ATOM 262 O ASN A 17 -14.322 -0.942 3.598 1.00 60.42 O ATOM 263 CB ASN A 17 -14.424 -3.733 3.676 1.00 54.14 C ATOM 264 CG ASN A 17 -15.734 -3.762 2.883 1.00 21.31 C ATOM 265 OD1 ASN A 17 -15.986 -4.696 2.133 1.00 73.42 O ATOM 266 ND2 ASN A 17 -16.553 -2.752 3.031 1.00 11.01 N ATOM 0 H ASN A 17 -11.986 -3.394 4.521 1.00 10.21 H new ATOM 0 HA ASN A 17 -13.274 -3.441 1.919 1.00 71.40 H new ATOM 0 HB2 ASN A 17 -14.115 -4.754 3.899 1.00 54.14 H new ATOM 0 HB3 ASN A 17 -14.593 -3.236 4.631 1.00 54.14 H new ATOM 0 HD21 ASN A 17 -17.431 -2.728 2.513 1.00 11.01 H new ATOM 0 HD22 ASN A 17 -16.313 -1.989 3.664 1.00 11.01 H new ATOM 273 N TYR A 18 -12.826 -0.885 1.925 1.00 23.01 N ATOM 274 CA TYR A 18 -13.008 0.507 1.598 1.00 52.32 C ATOM 275 C TYR A 18 -12.944 0.653 0.093 1.00 42.31 C ATOM 276 O TYR A 18 -12.307 -0.167 -0.584 1.00 44.31 O ATOM 277 CB TYR A 18 -11.933 1.398 2.244 1.00 43.14 C ATOM 278 CG TYR A 18 -11.883 1.354 3.760 1.00 62.22 C ATOM 279 CD1 TYR A 18 -12.878 1.943 4.531 1.00 41.22 C ATOM 280 CD2 TYR A 18 -10.841 0.720 4.414 1.00 43.54 C ATOM 281 CE1 TYR A 18 -12.828 1.899 5.913 1.00 52.04 C ATOM 282 CE2 TYR A 18 -10.782 0.671 5.790 1.00 41.01 C ATOM 283 CZ TYR A 18 -11.778 1.260 6.535 1.00 44.52 C ATOM 284 OH TYR A 18 -11.715 1.217 7.910 1.00 61.03 O ATOM 0 H TYR A 18 -12.071 -1.332 1.406 1.00 23.01 H new ATOM 0 HA TYR A 18 -13.974 0.830 1.985 1.00 52.32 H new ATOM 0 HB2 TYR A 18 -10.958 1.103 1.856 1.00 43.14 H new ATOM 0 HB3 TYR A 18 -12.102 2.429 1.932 1.00 43.14 H new ATOM 0 HD1 TYR A 18 -13.703 2.443 4.044 1.00 41.22 H new ATOM 0 HD2 TYR A 18 -10.058 0.254 3.834 1.00 43.54 H new ATOM 0 HE1 TYR A 18 -13.607 2.363 6.500 1.00 52.04 H new ATOM 0 HE2 TYR A 18 -9.959 0.173 6.281 1.00 41.01 H new ATOM 0 HH TYR A 18 -12.421 0.629 8.252 1.00 61.03 H new ATOM 294 N ASN A 19 -13.562 1.698 -0.419 1.00 2.14 N ATOM 295 CA ASN A 19 -13.647 1.940 -1.861 1.00 24.15 C ATOM 296 C ASN A 19 -12.271 2.258 -2.443 1.00 55.20 C ATOM 297 O ASN A 19 -11.514 3.048 -1.865 1.00 44.35 O ATOM 298 CB ASN A 19 -14.632 3.090 -2.159 1.00 70.53 C ATOM 299 CG ASN A 19 -14.745 3.420 -3.647 1.00 64.22 C ATOM 300 OD1 ASN A 19 -13.968 4.211 -4.176 1.00 13.15 O ATOM 301 ND2 ASN A 19 -15.721 2.857 -4.321 1.00 4.33 N ATOM 0 H ASN A 19 -14.023 2.410 0.147 1.00 2.14 H new ATOM 0 HA ASN A 19 -14.017 1.031 -2.335 1.00 24.15 H new ATOM 0 HB2 ASN A 19 -15.617 2.823 -1.778 1.00 70.53 H new ATOM 0 HB3 ASN A 19 -14.312 3.982 -1.620 1.00 70.53 H new ATOM 0 HD21 ASN A 19 -15.849 3.073 -5.310 1.00 4.33 H new ATOM 0 HD22 ASN A 19 -16.351 2.204 -3.856 1.00 4.33 H new ATOM 308 N PHE A 20 -11.977 1.644 -3.585 1.00 74.11 N ATOM 309 CA PHE A 20 -10.699 1.759 -4.282 1.00 63.14 C ATOM 310 C PHE A 20 -10.211 3.215 -4.489 1.00 24.44 C ATOM 311 O PHE A 20 -9.025 3.487 -4.369 1.00 70.44 O ATOM 312 CB PHE A 20 -10.809 0.980 -5.596 1.00 30.13 C ATOM 313 CG PHE A 20 -9.664 1.095 -6.557 1.00 20.34 C ATOM 314 CD1 PHE A 20 -8.524 0.334 -6.390 1.00 64.44 C ATOM 315 CD2 PHE A 20 -9.752 1.937 -7.656 1.00 12.25 C ATOM 316 CE1 PHE A 20 -7.494 0.411 -7.297 1.00 63.31 C ATOM 317 CE2 PHE A 20 -8.722 2.022 -8.561 1.00 15.43 C ATOM 318 CZ PHE A 20 -7.594 1.258 -8.384 1.00 72.14 C ATOM 0 H PHE A 20 -12.640 1.035 -4.065 1.00 74.11 H new ATOM 0 HA PHE A 20 -9.923 1.326 -3.651 1.00 63.14 H new ATOM 0 HB2 PHE A 20 -10.943 -0.074 -5.354 1.00 30.13 H new ATOM 0 HB3 PHE A 20 -11.714 1.307 -6.108 1.00 30.13 H new ATOM 0 HD1 PHE A 20 -8.441 -0.327 -5.540 1.00 64.44 H new ATOM 0 HD2 PHE A 20 -10.641 2.533 -7.802 1.00 12.25 H new ATOM 0 HE1 PHE A 20 -6.607 -0.190 -7.160 1.00 63.31 H new ATOM 0 HE2 PHE A 20 -8.799 2.687 -9.409 1.00 15.43 H new ATOM 0 HZ PHE A 20 -6.784 1.320 -9.096 1.00 72.14 H new ATOM 328 N ASN A 21 -11.119 4.134 -4.744 1.00 72.23 N ATOM 329 CA ASN A 21 -10.729 5.536 -4.975 1.00 0.20 C ATOM 330 C ASN A 21 -10.175 6.191 -3.692 1.00 74.34 C ATOM 331 O ASN A 21 -9.097 6.791 -3.695 1.00 51.22 O ATOM 332 CB ASN A 21 -11.914 6.355 -5.522 1.00 73.10 C ATOM 333 CG ASN A 21 -11.557 7.810 -5.833 1.00 42.13 C ATOM 334 OD1 ASN A 21 -10.440 8.128 -6.194 1.00 3.12 O ATOM 335 ND2 ASN A 21 -12.517 8.696 -5.701 1.00 60.12 N ATOM 0 H ASN A 21 -12.121 3.954 -4.799 1.00 72.23 H new ATOM 0 HA ASN A 21 -9.934 5.531 -5.721 1.00 0.20 H new ATOM 0 HB2 ASN A 21 -12.287 5.879 -6.429 1.00 73.10 H new ATOM 0 HB3 ASN A 21 -12.726 6.336 -4.795 1.00 73.10 H new ATOM 0 HD21 ASN A 21 -12.335 9.679 -5.903 1.00 60.12 H new ATOM 0 HD22 ASN A 21 -13.445 8.401 -5.396 1.00 60.12 H new ATOM 342 N THR A 22 -10.890 6.029 -2.587 1.00 5.43 N ATOM 343 CA THR A 22 -10.492 6.675 -1.345 1.00 33.22 C ATOM 344 C THR A 22 -9.204 6.048 -0.763 1.00 72.42 C ATOM 345 O THR A 22 -8.319 6.766 -0.260 1.00 33.22 O ATOM 346 CB THR A 22 -11.663 6.745 -0.292 1.00 33.15 C ATOM 347 OG1 THR A 22 -11.258 7.466 0.879 1.00 52.33 O ATOM 348 CG2 THR A 22 -12.153 5.365 0.119 1.00 52.34 C ATOM 0 H THR A 22 -11.737 5.464 -2.525 1.00 5.43 H new ATOM 0 HA THR A 22 -10.256 7.710 -1.591 1.00 33.22 H new ATOM 0 HB THR A 22 -12.484 7.269 -0.781 1.00 33.15 H new ATOM 0 HG1 THR A 22 -12.040 7.636 1.445 1.00 52.33 H new ATOM 0 HG21 THR A 22 -12.959 5.467 0.845 1.00 52.34 H new ATOM 0 HG22 THR A 22 -12.520 4.833 -0.759 1.00 52.34 H new ATOM 0 HG23 THR A 22 -11.331 4.805 0.565 1.00 52.34 H new ATOM 356 N VAL A 23 -9.069 4.725 -0.891 1.00 1.41 N ATOM 357 CA VAL A 23 -7.891 4.029 -0.389 1.00 22.40 C ATOM 358 C VAL A 23 -6.648 4.416 -1.203 1.00 43.31 C ATOM 359 O VAL A 23 -5.544 4.553 -0.646 1.00 22.11 O ATOM 360 CB VAL A 23 -8.095 2.474 -0.335 1.00 54.41 C ATOM 361 CG1 VAL A 23 -8.380 1.904 -1.690 1.00 73.51 C ATOM 362 CG2 VAL A 23 -6.907 1.767 0.288 1.00 23.31 C ATOM 0 H VAL A 23 -9.760 4.121 -1.336 1.00 1.41 H new ATOM 0 HA VAL A 23 -7.733 4.349 0.641 1.00 22.40 H new ATOM 0 HB VAL A 23 -8.964 2.301 0.300 1.00 54.41 H new ATOM 0 HG11 VAL A 23 -8.515 0.825 -1.610 1.00 73.51 H new ATOM 0 HG12 VAL A 23 -9.288 2.355 -2.091 1.00 73.51 H new ATOM 0 HG13 VAL A 23 -7.545 2.117 -2.357 1.00 73.51 H new ATOM 0 HG21 VAL A 23 -7.091 0.693 0.305 1.00 23.31 H new ATOM 0 HG22 VAL A 23 -6.012 1.973 -0.299 1.00 23.31 H new ATOM 0 HG23 VAL A 23 -6.763 2.127 1.307 1.00 23.31 H new ATOM 372 N TYR A 24 -6.840 4.638 -2.504 1.00 31.14 N ATOM 373 CA TYR A 24 -5.765 5.048 -3.383 1.00 25.42 C ATOM 374 C TYR A 24 -5.178 6.375 -2.933 1.00 50.44 C ATOM 375 O TYR A 24 -3.954 6.504 -2.784 1.00 63.31 O ATOM 376 CB TYR A 24 -6.259 5.120 -4.840 1.00 43.11 C ATOM 377 CG TYR A 24 -5.260 5.694 -5.832 1.00 31.12 C ATOM 378 CD1 TYR A 24 -3.978 5.170 -5.955 1.00 14.23 C ATOM 379 CD2 TYR A 24 -5.606 6.771 -6.638 1.00 23.04 C ATOM 380 CE1 TYR A 24 -3.075 5.699 -6.852 1.00 54.52 C ATOM 381 CE2 TYR A 24 -4.709 7.304 -7.538 1.00 63.14 C ATOM 382 CZ TYR A 24 -3.447 6.763 -7.643 1.00 50.34 C ATOM 383 OH TYR A 24 -2.545 7.293 -8.543 1.00 10.31 O ATOM 0 H TYR A 24 -7.743 4.537 -2.968 1.00 31.14 H new ATOM 0 HA TYR A 24 -4.972 4.302 -3.333 1.00 25.42 H new ATOM 0 HB2 TYR A 24 -6.534 4.116 -5.164 1.00 43.11 H new ATOM 0 HB3 TYR A 24 -7.166 5.724 -4.870 1.00 43.11 H new ATOM 0 HD1 TYR A 24 -3.685 4.334 -5.337 1.00 14.23 H new ATOM 0 HD2 TYR A 24 -6.595 7.198 -6.558 1.00 23.04 H new ATOM 0 HE1 TYR A 24 -2.082 5.282 -6.934 1.00 54.52 H new ATOM 0 HE2 TYR A 24 -4.994 8.141 -8.158 1.00 63.14 H new ATOM 0 HH TYR A 24 -1.850 6.630 -8.738 1.00 10.31 H new ATOM 393 N ASN A 25 -6.050 7.326 -2.641 1.00 52.34 N ATOM 394 CA ASN A 25 -5.618 8.652 -2.199 1.00 44.50 C ATOM 395 C ASN A 25 -4.907 8.548 -0.870 1.00 13.53 C ATOM 396 O ASN A 25 -3.807 9.057 -0.695 1.00 1.01 O ATOM 397 CB ASN A 25 -6.802 9.592 -2.024 1.00 12.40 C ATOM 398 CG ASN A 25 -6.348 11.022 -1.722 1.00 73.12 C ATOM 399 OD1 ASN A 25 -5.319 11.468 -2.198 1.00 25.44 O ATOM 400 ND2 ASN A 25 -7.099 11.730 -0.917 1.00 55.44 N ATOM 0 H ASN A 25 -7.062 7.210 -2.700 1.00 52.34 H new ATOM 0 HA ASN A 25 -4.951 9.048 -2.965 1.00 44.50 H new ATOM 0 HB2 ASN A 25 -7.409 9.586 -2.930 1.00 12.40 H new ATOM 0 HB3 ASN A 25 -7.436 9.232 -1.213 1.00 12.40 H new ATOM 0 HD21 ASN A 25 -6.828 12.683 -0.673 1.00 55.44 H new ATOM 0 HD22 ASN A 25 -7.955 11.329 -0.534 1.00 55.44 H new ATOM 407 N ALA A 26 -5.525 7.815 0.036 1.00 53.23 N ATOM 408 CA ALA A 26 -5.024 7.661 1.402 1.00 63.12 C ATOM 409 C ALA A 26 -3.623 7.053 1.429 1.00 23.31 C ATOM 410 O ALA A 26 -2.752 7.522 2.162 1.00 31.11 O ATOM 411 CB ALA A 26 -5.982 6.807 2.218 1.00 2.10 C ATOM 0 H ALA A 26 -6.390 7.306 -0.147 1.00 53.23 H new ATOM 0 HA ALA A 26 -4.960 8.655 1.844 1.00 63.12 H new ATOM 0 HB1 ALA A 26 -5.599 6.699 3.233 1.00 2.10 H new ATOM 0 HB2 ALA A 26 -6.961 7.286 2.248 1.00 2.10 H new ATOM 0 HB3 ALA A 26 -6.074 5.823 1.758 1.00 2.10 H new ATOM 417 N THR A 27 -3.403 6.048 0.611 1.00 10.04 N ATOM 418 CA THR A 27 -2.109 5.402 0.535 1.00 72.43 C ATOM 419 C THR A 27 -1.074 6.353 -0.092 1.00 20.30 C ATOM 420 O THR A 27 0.061 6.469 0.389 1.00 43.01 O ATOM 421 CB THR A 27 -2.200 4.135 -0.317 1.00 52.34 C ATOM 422 OG1 THR A 27 -3.268 3.302 0.158 1.00 72.02 O ATOM 423 CG2 THR A 27 -0.894 3.360 -0.272 1.00 60.41 C ATOM 0 H THR A 27 -4.107 5.658 -0.015 1.00 10.04 H new ATOM 0 HA THR A 27 -1.798 5.141 1.546 1.00 72.43 H new ATOM 0 HB THR A 27 -2.397 4.429 -1.348 1.00 52.34 H new ATOM 0 HG1 THR A 27 -4.127 3.671 -0.138 1.00 72.02 H new ATOM 0 HG21 THR A 27 -0.982 2.463 -0.885 1.00 60.41 H new ATOM 0 HG22 THR A 27 -0.087 3.984 -0.656 1.00 60.41 H new ATOM 0 HG23 THR A 27 -0.675 3.076 0.757 1.00 60.41 H new ATOM 431 N LEU A 28 -1.491 7.033 -1.152 1.00 14.15 N ATOM 432 CA LEU A 28 -0.653 7.975 -1.874 1.00 2.54 C ATOM 433 C LEU A 28 -0.146 9.086 -0.937 1.00 55.31 C ATOM 434 O LEU A 28 1.049 9.378 -0.906 1.00 60.15 O ATOM 435 CB LEU A 28 -1.444 8.562 -3.051 1.00 33.21 C ATOM 436 CG LEU A 28 -0.745 9.613 -3.909 1.00 63.53 C ATOM 437 CD1 LEU A 28 0.442 9.010 -4.646 1.00 1.45 C ATOM 438 CD2 LEU A 28 -1.724 10.239 -4.888 1.00 34.14 C ATOM 0 H LEU A 28 -2.431 6.943 -1.537 1.00 14.15 H new ATOM 0 HA LEU A 28 0.221 7.453 -2.262 1.00 2.54 H new ATOM 0 HB2 LEU A 28 -1.742 7.739 -3.701 1.00 33.21 H new ATOM 0 HB3 LEU A 28 -2.359 9.003 -2.656 1.00 33.21 H new ATOM 0 HG LEU A 28 -0.370 10.396 -3.250 1.00 63.53 H new ATOM 0 HD11 LEU A 28 0.924 9.779 -5.251 1.00 1.45 H new ATOM 0 HD12 LEU A 28 1.157 8.616 -3.924 1.00 1.45 H new ATOM 0 HD13 LEU A 28 0.097 8.203 -5.293 1.00 1.45 H new ATOM 0 HD21 LEU A 28 -1.208 10.986 -5.491 1.00 34.14 H new ATOM 0 HD22 LEU A 28 -2.132 9.466 -5.539 1.00 34.14 H new ATOM 0 HD23 LEU A 28 -2.535 10.715 -4.337 1.00 34.14 H new ATOM 450 N GLN A 29 -1.056 9.665 -0.164 1.00 74.11 N ATOM 451 CA GLN A 29 -0.715 10.713 0.814 1.00 43.22 C ATOM 452 C GLN A 29 0.296 10.191 1.833 1.00 20.41 C ATOM 453 O GLN A 29 1.287 10.849 2.130 1.00 75.12 O ATOM 454 CB GLN A 29 -1.956 11.182 1.574 1.00 2.01 C ATOM 455 CG GLN A 29 -3.072 11.751 0.710 1.00 32.24 C ATOM 456 CD GLN A 29 -4.310 12.122 1.524 1.00 4.21 C ATOM 457 OE1 GLN A 29 -5.073 13.015 1.160 1.00 53.40 O ATOM 458 NE2 GLN A 29 -4.505 11.453 2.639 1.00 13.43 N ATOM 0 H GLN A 29 -2.048 9.429 -0.190 1.00 74.11 H new ATOM 0 HA GLN A 29 -0.289 11.546 0.255 1.00 43.22 H new ATOM 0 HB2 GLN A 29 -2.352 10.341 2.143 1.00 2.01 H new ATOM 0 HB3 GLN A 29 -1.654 11.941 2.295 1.00 2.01 H new ATOM 0 HG2 GLN A 29 -2.707 12.635 0.186 1.00 32.24 H new ATOM 0 HG3 GLN A 29 -3.347 11.020 -0.051 1.00 32.24 H new ATOM 0 HE21 GLN A 29 -3.853 10.718 2.913 1.00 13.43 H new ATOM 0 HE22 GLN A 29 -5.308 11.669 3.230 1.00 13.43 H new ATOM 467 N ALA A 30 0.063 8.970 2.306 1.00 30.44 N ATOM 468 CA ALA A 30 0.884 8.347 3.341 1.00 11.23 C ATOM 469 C ALA A 30 2.348 8.261 2.934 1.00 12.41 C ATOM 470 O ALA A 30 3.249 8.530 3.738 1.00 25.35 O ATOM 471 CB ALA A 30 0.353 6.960 3.665 1.00 23.32 C ATOM 0 H ALA A 30 -0.704 8.382 1.981 1.00 30.44 H new ATOM 0 HA ALA A 30 0.825 8.978 4.228 1.00 11.23 H new ATOM 0 HB1 ALA A 30 0.972 6.505 4.438 1.00 23.32 H new ATOM 0 HB2 ALA A 30 -0.674 7.038 4.022 1.00 23.32 H new ATOM 0 HB3 ALA A 30 0.379 6.342 2.768 1.00 23.32 H new ATOM 477 N ILE A 31 2.587 7.908 1.701 1.00 42.41 N ATOM 478 CA ILE A 31 3.937 7.787 1.224 1.00 25.15 C ATOM 479 C ILE A 31 4.494 9.147 0.742 1.00 74.05 C ATOM 480 O ILE A 31 5.595 9.530 1.123 1.00 2.41 O ATOM 481 CB ILE A 31 4.072 6.610 0.165 1.00 31.25 C ATOM 482 CG1 ILE A 31 5.516 6.402 -0.383 1.00 44.15 C ATOM 483 CG2 ILE A 31 3.068 6.745 -0.976 1.00 35.43 C ATOM 484 CD1 ILE A 31 5.975 7.399 -1.422 1.00 2.12 C ATOM 0 H ILE A 31 1.867 7.700 1.010 1.00 42.41 H new ATOM 0 HA ILE A 31 4.576 7.499 2.059 1.00 25.15 H new ATOM 0 HB ILE A 31 3.834 5.707 0.727 1.00 31.25 H new ATOM 0 HG12 ILE A 31 6.211 6.434 0.456 1.00 44.15 H new ATOM 0 HG13 ILE A 31 5.581 5.402 -0.812 1.00 44.15 H new ATOM 0 HG21 ILE A 31 3.198 5.919 -1.675 1.00 35.43 H new ATOM 0 HG22 ILE A 31 2.055 6.724 -0.574 1.00 35.43 H new ATOM 0 HG23 ILE A 31 3.233 7.689 -1.496 1.00 35.43 H new ATOM 0 HD11 ILE A 31 6.992 7.159 -1.732 1.00 2.12 H new ATOM 0 HD12 ILE A 31 5.312 7.355 -2.286 1.00 2.12 H new ATOM 0 HD13 ILE A 31 5.952 8.403 -0.998 1.00 2.12 H new ATOM 496 N GLN A 32 3.698 9.902 -0.014 1.00 21.31 N ATOM 497 CA GLN A 32 4.159 11.176 -0.589 1.00 53.42 C ATOM 498 C GLN A 32 4.352 12.271 0.449 1.00 11.33 C ATOM 499 O GLN A 32 5.135 13.191 0.245 1.00 70.24 O ATOM 500 CB GLN A 32 3.225 11.668 -1.699 1.00 54.45 C ATOM 501 CG GLN A 32 3.263 10.838 -2.975 1.00 13.22 C ATOM 502 CD GLN A 32 4.621 10.870 -3.658 1.00 4.12 C ATOM 503 OE1 GLN A 32 5.480 10.045 -3.406 1.00 15.23 O ATOM 504 NE2 GLN A 32 4.822 11.832 -4.523 1.00 3.13 N ATOM 0 H GLN A 32 2.734 9.660 -0.245 1.00 21.31 H new ATOM 0 HA GLN A 32 5.138 10.960 -1.017 1.00 53.42 H new ATOM 0 HB2 GLN A 32 2.204 11.678 -1.318 1.00 54.45 H new ATOM 0 HB3 GLN A 32 3.484 12.698 -1.944 1.00 54.45 H new ATOM 0 HG2 GLN A 32 3.004 9.806 -2.739 1.00 13.22 H new ATOM 0 HG3 GLN A 32 2.505 11.207 -3.666 1.00 13.22 H new ATOM 0 HE21 GLN A 32 4.083 12.509 -4.714 1.00 3.13 H new ATOM 0 HE22 GLN A 32 5.717 11.904 -5.006 1.00 3.13 H new ATOM 513 N ASN A 33 3.632 12.198 1.540 1.00 54.05 N ATOM 514 CA ASN A 33 3.765 13.206 2.585 1.00 50.34 C ATOM 515 C ASN A 33 4.685 12.741 3.690 1.00 73.23 C ATOM 516 O ASN A 33 4.874 13.442 4.676 1.00 64.32 O ATOM 517 CB ASN A 33 2.399 13.648 3.145 1.00 72.44 C ATOM 518 CG ASN A 33 1.536 14.402 2.132 1.00 14.55 C ATOM 519 OD1 ASN A 33 2.153 15.110 1.207 1.00 15.04 O flip ATOM 520 ND2 ASN A 33 0.320 14.348 2.181 1.00 42.21 N flip ATOM 0 H ASN A 33 2.952 11.463 1.736 1.00 54.05 H new ATOM 0 HA ASN A 33 4.218 14.082 2.120 1.00 50.34 H new ATOM 0 HB2 ASN A 33 1.855 12.768 3.489 1.00 72.44 H new ATOM 0 HB3 ASN A 33 2.561 14.283 4.016 1.00 72.44 H new ATOM 0 HD21 ASN A 33 -0.137 13.794 2.905 1.00 42.21 H new ATOM 0 HD22 ASN A 33 -0.241 14.857 1.498 1.00 42.21 H new ATOM 527 N GLY A 34 5.269 11.564 3.502 1.00 32.14 N ATOM 528 CA GLY A 34 6.214 11.025 4.460 1.00 65.32 C ATOM 529 C GLY A 34 5.589 10.695 5.796 1.00 51.12 C ATOM 530 O GLY A 34 6.166 10.969 6.842 1.00 62.51 O ATOM 0 H GLY A 34 5.102 10.967 2.692 1.00 32.14 H new ATOM 0 HA2 GLY A 34 6.666 10.124 4.046 1.00 65.32 H new ATOM 0 HA3 GLY A 34 7.018 11.745 4.611 1.00 65.32 H new ATOM 534 N GLN A 35 4.414 10.092 5.765 1.00 20.23 N ATOM 535 CA GLN A 35 3.734 9.722 6.995 1.00 3.51 C ATOM 536 C GLN A 35 4.286 8.398 7.499 1.00 14.41 C ATOM 537 O GLN A 35 4.139 8.042 8.663 1.00 33.33 O ATOM 538 CB GLN A 35 2.219 9.645 6.792 1.00 52.32 C ATOM 539 CG GLN A 35 1.608 10.939 6.269 1.00 3.12 C ATOM 540 CD GLN A 35 0.098 10.897 6.222 1.00 62.51 C ATOM 541 OE1 GLN A 35 -0.493 10.500 5.237 1.00 71.02 O ATOM 542 NE2 GLN A 35 -0.533 11.312 7.290 1.00 50.24 N ATOM 0 H GLN A 35 3.914 9.849 4.910 1.00 20.23 H new ATOM 0 HA GLN A 35 3.918 10.493 7.744 1.00 3.51 H new ATOM 0 HB2 GLN A 35 1.995 8.839 6.094 1.00 52.32 H new ATOM 0 HB3 GLN A 35 1.746 9.387 7.740 1.00 52.32 H new ATOM 0 HG2 GLN A 35 1.924 11.767 6.903 1.00 3.12 H new ATOM 0 HG3 GLN A 35 1.993 11.139 5.269 1.00 3.12 H new ATOM 0 HE21 GLN A 35 -0.005 11.639 8.099 1.00 50.24 H new ATOM 0 HE22 GLN A 35 -1.553 11.309 7.313 1.00 50.24 H new ATOM 551 N THR A 36 4.907 7.678 6.603 1.00 1.30 N ATOM 552 CA THR A 36 5.570 6.462 6.934 1.00 1.42 C ATOM 553 C THR A 36 7.076 6.742 6.978 1.00 14.41 C ATOM 554 O THR A 36 7.635 7.355 6.061 1.00 74.44 O ATOM 555 CB THR A 36 5.212 5.305 5.925 1.00 44.31 C ATOM 556 OG1 THR A 36 5.928 4.093 6.232 1.00 14.45 O ATOM 557 CG2 THR A 36 5.467 5.703 4.469 1.00 15.24 C ATOM 0 H THR A 36 4.963 7.928 5.616 1.00 1.30 H new ATOM 0 HA THR A 36 5.234 6.112 7.910 1.00 1.42 H new ATOM 0 HB THR A 36 4.144 5.122 6.042 1.00 44.31 H new ATOM 0 HG1 THR A 36 5.682 3.396 5.589 1.00 14.45 H new ATOM 0 HG21 THR A 36 5.205 4.872 3.814 1.00 15.24 H new ATOM 0 HG22 THR A 36 4.857 6.571 4.217 1.00 15.24 H new ATOM 0 HG23 THR A 36 6.521 5.950 4.338 1.00 15.24 H new ATOM 565 N PHE A 37 7.712 6.339 8.046 1.00 12.45 N ATOM 566 CA PHE A 37 9.125 6.579 8.222 1.00 22.44 C ATOM 567 C PHE A 37 9.886 5.297 7.992 1.00 25.22 C ATOM 568 O PHE A 37 9.406 4.217 8.347 1.00 12.13 O ATOM 569 CB PHE A 37 9.410 7.144 9.620 1.00 74.40 C ATOM 570 CG PHE A 37 8.714 8.455 9.887 1.00 5.20 C ATOM 571 CD1 PHE A 37 9.268 9.647 9.449 1.00 15.15 C ATOM 572 CD2 PHE A 37 7.502 8.492 10.562 1.00 31.11 C ATOM 573 CE1 PHE A 37 8.629 10.851 9.682 1.00 24.31 C ATOM 574 CE2 PHE A 37 6.859 9.691 10.796 1.00 52.50 C ATOM 575 CZ PHE A 37 7.423 10.872 10.355 1.00 1.34 C ATOM 0 H PHE A 37 7.270 5.837 8.817 1.00 12.45 H new ATOM 0 HA PHE A 37 9.455 7.320 7.494 1.00 22.44 H new ATOM 0 HB2 PHE A 37 9.098 6.416 10.369 1.00 74.40 H new ATOM 0 HB3 PHE A 37 10.485 7.281 9.737 1.00 74.40 H new ATOM 0 HD1 PHE A 37 10.209 9.636 8.920 1.00 15.15 H new ATOM 0 HD2 PHE A 37 7.056 7.571 10.909 1.00 31.11 H new ATOM 0 HE1 PHE A 37 9.072 11.774 9.338 1.00 24.31 H new ATOM 0 HE2 PHE A 37 5.916 9.705 11.323 1.00 52.50 H new ATOM 0 HZ PHE A 37 6.921 11.811 10.536 1.00 1.34 H new ATOM 585 N ASP A 38 11.049 5.404 7.393 1.00 11.31 N ATOM 586 CA ASP A 38 11.822 4.225 7.060 1.00 10.42 C ATOM 587 C ASP A 38 12.851 3.918 8.125 1.00 31.12 C ATOM 588 O ASP A 38 13.302 4.812 8.844 1.00 3.41 O ATOM 589 CB ASP A 38 12.500 4.357 5.691 1.00 20.24 C ATOM 590 CG ASP A 38 13.165 3.067 5.291 1.00 54.11 C ATOM 591 OD1 ASP A 38 12.443 2.080 5.014 1.00 12.02 O ATOM 592 OD2 ASP A 38 14.386 2.994 5.367 1.00 51.53 O ATOM 0 H ASP A 38 11.481 6.289 7.127 1.00 11.31 H new ATOM 0 HA ASP A 38 11.119 3.393 7.011 1.00 10.42 H new ATOM 0 HB2 ASP A 38 11.761 4.637 4.941 1.00 20.24 H new ATOM 0 HB3 ASP A 38 13.240 5.157 5.723 1.00 20.24 H new ATOM 597 N TYR A 39 13.230 2.662 8.199 1.00 53.05 N ATOM 598 CA TYR A 39 14.188 2.151 9.171 1.00 12.21 C ATOM 599 C TYR A 39 15.587 2.675 8.866 1.00 63.23 C ATOM 600 O TYR A 39 16.408 2.819 9.754 1.00 33.32 O ATOM 601 CB TYR A 39 14.192 0.618 9.137 1.00 21.52 C ATOM 602 CG TYR A 39 12.812 -0.003 9.002 1.00 71.32 C ATOM 603 CD1 TYR A 39 12.043 -0.326 10.110 1.00 41.34 C ATOM 604 CD2 TYR A 39 12.279 -0.258 7.740 1.00 10.14 C ATOM 605 CE1 TYR A 39 10.785 -0.882 9.960 1.00 0.31 C ATOM 606 CE2 TYR A 39 11.032 -0.812 7.586 1.00 60.11 C ATOM 607 CZ TYR A 39 10.289 -1.121 8.691 1.00 21.31 C ATOM 608 OH TYR A 39 9.036 -1.667 8.537 1.00 50.52 O ATOM 0 H TYR A 39 12.874 1.942 7.570 1.00 53.05 H new ATOM 0 HA TYR A 39 13.895 2.492 10.164 1.00 12.21 H new ATOM 0 HB2 TYR A 39 14.811 0.285 8.304 1.00 21.52 H new ATOM 0 HB3 TYR A 39 14.658 0.246 10.049 1.00 21.52 H new ATOM 0 HD1 TYR A 39 12.430 -0.141 11.101 1.00 41.34 H new ATOM 0 HD2 TYR A 39 12.860 -0.014 6.863 1.00 10.14 H new ATOM 0 HE1 TYR A 39 10.193 -1.128 10.829 1.00 0.31 H new ATOM 0 HE2 TYR A 39 10.641 -1.002 6.598 1.00 60.11 H new ATOM 0 HH TYR A 39 9.084 -2.428 7.922 1.00 50.52 H new ATOM 618 N LYS A 40 15.844 2.956 7.601 1.00 14.42 N ATOM 619 CA LYS A 40 17.099 3.548 7.196 1.00 63.24 C ATOM 620 C LYS A 40 16.831 4.995 6.920 1.00 23.12 C ATOM 621 O LYS A 40 17.730 5.740 6.549 1.00 2.34 O ATOM 622 CB LYS A 40 17.485 2.973 5.842 1.00 14.32 C ATOM 623 CG LYS A 40 17.752 1.494 5.754 1.00 51.51 C ATOM 624 CD LYS A 40 17.579 1.058 4.304 1.00 23.44 C ATOM 625 CE LYS A 40 16.120 0.698 4.008 1.00 22.43 C ATOM 626 NZ LYS A 40 15.872 0.463 2.575 1.00 43.41 N ATOM 0 H LYS A 40 15.194 2.781 6.835 1.00 14.42 H new ATOM 0 HA LYS A 40 17.860 3.377 7.958 1.00 63.24 H new ATOM 0 HB2 LYS A 40 16.688 3.211 5.138 1.00 14.32 H new ATOM 0 HB3 LYS A 40 18.379 3.495 5.500 1.00 14.32 H new ATOM 0 HG2 LYS A 40 18.761 1.270 6.099 1.00 51.51 H new ATOM 0 HG3 LYS A 40 17.065 0.946 6.399 1.00 51.51 H new ATOM 0 HD2 LYS A 40 17.901 1.859 3.639 1.00 23.44 H new ATOM 0 HD3 LYS A 40 18.218 0.198 4.101 1.00 23.44 H new ATOM 0 HE2 LYS A 40 15.849 -0.195 4.571 1.00 22.43 H new ATOM 0 HE3 LYS A 40 15.473 1.503 4.357 1.00 22.43 H new ATOM 0 HZ1 LYS A 40 15.125 -0.252 2.465 1.00 43.41 H new ATOM 0 HZ2 LYS A 40 15.571 1.351 2.125 1.00 43.41 H new ATOM 0 HZ3 LYS A 40 16.745 0.124 2.123 1.00 43.41 H new ATOM 640 N SER A 41 15.573 5.385 7.150 1.00 43.34 N ATOM 641 CA SER A 41 15.080 6.701 6.836 1.00 53.15 C ATOM 642 C SER A 41 15.368 7.068 5.347 1.00 73.04 C ATOM 643 O SER A 41 15.443 8.244 4.982 1.00 71.43 O ATOM 644 CB SER A 41 15.657 7.689 7.840 1.00 30.53 C ATOM 645 OG SER A 41 15.129 7.427 9.139 1.00 72.34 O ATOM 0 H SER A 41 14.869 4.775 7.566 1.00 43.34 H new ATOM 0 HA SER A 41 13.994 6.737 6.928 1.00 53.15 H new ATOM 0 HB2 SER A 41 16.744 7.610 7.857 1.00 30.53 H new ATOM 0 HB3 SER A 41 15.416 8.709 7.539 1.00 30.53 H new ATOM 0 HG SER A 41 14.544 6.641 9.102 1.00 72.34 H new ATOM 651 N ASN A 42 15.432 6.025 4.488 1.00 4.14 N ATOM 652 CA ASN A 42 15.785 6.191 3.085 1.00 23.44 C ATOM 653 C ASN A 42 14.552 6.622 2.270 1.00 23.12 C ATOM 654 O ASN A 42 13.417 6.303 2.661 1.00 73.24 O ATOM 655 CB ASN A 42 16.438 4.906 2.472 1.00 54.12 C ATOM 656 CG ASN A 42 15.471 3.990 1.735 1.00 13.11 C ATOM 657 OD1 ASN A 42 14.899 3.076 2.305 1.00 13.44 O ATOM 658 ND2 ASN A 42 15.337 4.195 0.456 1.00 43.03 N ATOM 0 H ASN A 42 15.240 5.060 4.757 1.00 4.14 H new ATOM 0 HA ASN A 42 16.538 6.978 3.034 1.00 23.44 H new ATOM 0 HB2 ASN A 42 17.226 5.209 1.783 1.00 54.12 H new ATOM 0 HB3 ASN A 42 16.914 4.340 3.272 1.00 54.12 H new ATOM 0 HD21 ASN A 42 14.740 3.582 -0.099 1.00 43.03 H new ATOM 0 HD22 ASN A 42 15.829 4.969 0.009 1.00 43.03 H new ATOM 665 N PRO A 43 14.763 7.443 1.207 1.00 10.22 N ATOM 666 CA PRO A 43 13.708 7.902 0.273 1.00 1.32 C ATOM 667 C PRO A 43 12.636 6.842 -0.076 1.00 62.24 C ATOM 668 O PRO A 43 12.934 5.746 -0.562 1.00 50.34 O ATOM 669 CB PRO A 43 14.511 8.271 -0.967 1.00 31.41 C ATOM 670 CG PRO A 43 15.784 8.811 -0.424 1.00 21.41 C ATOM 671 CD PRO A 43 16.076 8.025 0.833 1.00 24.42 C ATOM 0 HA PRO A 43 13.122 8.709 0.712 1.00 1.32 H new ATOM 0 HB2 PRO A 43 14.685 7.403 -1.603 1.00 31.41 H new ATOM 0 HB3 PRO A 43 13.990 9.011 -1.574 1.00 31.41 H new ATOM 0 HG2 PRO A 43 16.592 8.702 -1.147 1.00 21.41 H new ATOM 0 HG3 PRO A 43 15.693 9.875 -0.205 1.00 21.41 H new ATOM 0 HD2 PRO A 43 16.820 7.249 0.654 1.00 24.42 H new ATOM 0 HD3 PRO A 43 16.468 8.666 1.623 1.00 24.42 H new ATOM 679 N TYR A 44 11.405 7.197 0.210 1.00 30.31 N ATOM 680 CA TYR A 44 10.232 6.374 -0.048 1.00 44.20 C ATOM 681 C TYR A 44 9.530 6.740 -1.320 1.00 44.22 C ATOM 682 O TYR A 44 8.593 6.059 -1.710 1.00 24.33 O ATOM 683 CB TYR A 44 9.205 6.412 1.084 1.00 72.01 C ATOM 684 CG TYR A 44 9.386 5.390 2.170 1.00 11.31 C ATOM 685 CD1 TYR A 44 9.793 4.092 1.876 1.00 22.20 C ATOM 686 CD2 TYR A 44 9.127 5.711 3.487 1.00 51.13 C ATOM 687 CE1 TYR A 44 9.935 3.157 2.865 1.00 23.41 C ATOM 688 CE2 TYR A 44 9.266 4.777 4.481 1.00 51.33 C ATOM 689 CZ TYR A 44 9.669 3.502 4.165 1.00 41.23 C ATOM 690 OH TYR A 44 9.842 2.573 5.166 1.00 51.42 O ATOM 0 H TYR A 44 11.179 8.093 0.642 1.00 30.31 H new ATOM 0 HA TYR A 44 10.637 5.365 -0.131 1.00 44.20 H new ATOM 0 HB2 TYR A 44 9.229 7.403 1.537 1.00 72.01 H new ATOM 0 HB3 TYR A 44 8.212 6.283 0.652 1.00 72.01 H new ATOM 0 HD1 TYR A 44 10.000 3.819 0.852 1.00 22.20 H new ATOM 0 HD2 TYR A 44 8.810 6.712 3.738 1.00 51.13 H new ATOM 0 HE1 TYR A 44 10.254 2.154 2.623 1.00 23.41 H new ATOM 0 HE2 TYR A 44 9.060 5.042 5.507 1.00 51.33 H new ATOM 0 HH TYR A 44 10.790 2.332 5.228 1.00 51.42 H new ATOM 700 N ASP A 45 9.987 7.754 -1.992 1.00 1.12 N ATOM 701 CA ASP A 45 9.203 8.402 -3.013 1.00 54.20 C ATOM 702 C ASP A 45 9.133 7.622 -4.313 1.00 22.24 C ATOM 703 O ASP A 45 10.053 6.921 -4.735 1.00 63.45 O ATOM 704 CB ASP A 45 9.685 9.843 -3.225 1.00 40.32 C ATOM 705 CG ASP A 45 11.182 9.949 -3.435 1.00 45.04 C ATOM 706 OD1 ASP A 45 11.937 9.738 -2.436 1.00 13.24 O ATOM 707 OD2 ASP A 45 11.608 10.237 -4.562 1.00 10.24 O ATOM 0 H ASP A 45 10.913 8.159 -1.852 1.00 1.12 H new ATOM 0 HA ASP A 45 8.175 8.433 -2.651 1.00 54.20 H new ATOM 0 HB2 ASP A 45 9.173 10.267 -4.089 1.00 40.32 H new ATOM 0 HB3 ASP A 45 9.403 10.444 -2.361 1.00 40.32 H new ATOM 712 N ILE A 46 7.947 7.709 -4.864 1.00 52.12 N ATOM 713 CA ILE A 46 7.435 6.894 -5.952 1.00 21.12 C ATOM 714 C ILE A 46 8.148 7.092 -7.285 1.00 33.31 C ATOM 715 O ILE A 46 8.258 8.199 -7.788 1.00 13.42 O ATOM 716 CB ILE A 46 5.921 7.190 -6.106 1.00 44.43 C ATOM 717 CG1 ILE A 46 5.223 6.908 -4.780 1.00 1.12 C ATOM 718 CG2 ILE A 46 5.305 6.366 -7.217 1.00 0.12 C ATOM 719 CD1 ILE A 46 3.781 7.349 -4.711 1.00 44.42 C ATOM 0 H ILE A 46 7.263 8.396 -4.546 1.00 52.12 H new ATOM 0 HA ILE A 46 7.620 5.853 -5.687 1.00 21.12 H new ATOM 0 HB ILE A 46 5.793 8.239 -6.374 1.00 44.43 H new ATOM 0 HG12 ILE A 46 5.269 5.837 -4.583 1.00 1.12 H new ATOM 0 HG13 ILE A 46 5.777 7.403 -3.983 1.00 1.12 H new ATOM 0 HG21 ILE A 46 4.243 6.599 -7.297 1.00 0.12 H new ATOM 0 HG22 ILE A 46 5.800 6.599 -8.160 1.00 0.12 H new ATOM 0 HG23 ILE A 46 5.428 5.306 -6.995 1.00 0.12 H new ATOM 0 HD11 ILE A 46 3.373 7.105 -3.730 1.00 44.42 H new ATOM 0 HD12 ILE A 46 3.722 8.425 -4.872 1.00 44.42 H new ATOM 0 HD13 ILE A 46 3.206 6.835 -5.481 1.00 44.42 H new ATOM 731 N SER A 47 8.575 5.982 -7.866 1.00 71.14 N ATOM 732 CA SER A 47 9.215 5.985 -9.149 1.00 73.22 C ATOM 733 C SER A 47 8.174 5.659 -10.258 1.00 52.11 C ATOM 734 O SER A 47 8.291 6.132 -11.379 1.00 64.11 O ATOM 735 CB SER A 47 10.311 4.930 -9.131 1.00 4.44 C ATOM 736 OG SER A 47 11.092 5.052 -7.944 1.00 62.41 O ATOM 0 H SER A 47 8.482 5.055 -7.450 1.00 71.14 H new ATOM 0 HA SER A 47 9.643 6.965 -9.359 1.00 73.22 H new ATOM 0 HB2 SER A 47 9.869 3.935 -9.184 1.00 4.44 H new ATOM 0 HB3 SER A 47 10.949 5.042 -10.008 1.00 4.44 H new ATOM 0 HG SER A 47 11.793 4.367 -7.942 1.00 62.41 H new ATOM 742 N VAL A 48 7.134 4.864 -9.920 1.00 0.23 N ATOM 743 CA VAL A 48 6.019 4.603 -10.877 1.00 22.20 C ATOM 744 C VAL A 48 4.688 4.624 -10.148 1.00 61.22 C ATOM 745 O VAL A 48 4.526 3.966 -9.137 1.00 33.14 O ATOM 746 CB VAL A 48 6.145 3.182 -11.567 1.00 44.02 C ATOM 747 CG1 VAL A 48 4.895 2.829 -12.412 1.00 64.34 C ATOM 748 CG2 VAL A 48 7.396 3.091 -12.433 1.00 63.33 C ATOM 0 H VAL A 48 7.037 4.399 -9.017 1.00 0.23 H new ATOM 0 HA VAL A 48 6.075 5.385 -11.635 1.00 22.20 H new ATOM 0 HB VAL A 48 6.223 2.455 -10.758 1.00 44.02 H new ATOM 0 HG11 VAL A 48 5.028 1.847 -12.865 1.00 64.34 H new ATOM 0 HG12 VAL A 48 4.014 2.817 -11.771 1.00 64.34 H new ATOM 0 HG13 VAL A 48 4.763 3.575 -13.196 1.00 64.34 H new ATOM 0 HG21 VAL A 48 7.451 2.103 -12.891 1.00 63.33 H new ATOM 0 HG22 VAL A 48 7.354 3.851 -13.213 1.00 63.33 H new ATOM 0 HG23 VAL A 48 8.279 3.254 -11.815 1.00 63.33 H new ATOM 758 N ASN A 49 3.770 5.388 -10.660 1.00 62.44 N ATOM 759 CA ASN A 49 2.394 5.416 -10.211 1.00 33.53 C ATOM 760 C ASN A 49 1.503 5.051 -11.365 1.00 30.53 C ATOM 761 O ASN A 49 1.479 5.791 -12.349 1.00 12.11 O ATOM 762 CB ASN A 49 2.013 6.797 -9.638 1.00 55.04 C ATOM 763 CG ASN A 49 0.524 6.946 -9.313 1.00 72.44 C ATOM 764 OD1 ASN A 49 -0.173 5.983 -9.002 1.00 11.00 O ATOM 765 ND2 ASN A 49 0.027 8.157 -9.376 1.00 45.42 N ATOM 0 H ASN A 49 3.956 6.033 -11.428 1.00 62.44 H new ATOM 0 HA ASN A 49 2.268 4.694 -9.405 1.00 33.53 H new ATOM 0 HB2 ASN A 49 2.592 6.976 -8.732 1.00 55.04 H new ATOM 0 HB3 ASN A 49 2.297 7.568 -10.355 1.00 55.04 H new ATOM 0 HD21 ASN A 49 -0.958 8.316 -9.164 1.00 45.42 H new ATOM 0 HD22 ASN A 49 0.625 8.941 -9.637 1.00 45.42 H new ATOM 772 N LYS A 50 0.809 3.952 -11.318 1.00 54.21 N ATOM 773 CA LYS A 50 -0.104 3.695 -12.364 1.00 51.11 C ATOM 774 C LYS A 50 -1.407 3.116 -11.885 1.00 20.53 C ATOM 775 O LYS A 50 -1.458 2.354 -10.918 1.00 72.41 O ATOM 776 CB LYS A 50 0.533 2.845 -13.472 1.00 41.40 C ATOM 777 CG LYS A 50 1.400 1.665 -13.027 1.00 61.23 C ATOM 778 CD LYS A 50 0.566 0.550 -12.443 1.00 31.11 C ATOM 779 CE LYS A 50 1.385 -0.637 -11.989 1.00 51.23 C ATOM 780 NZ LYS A 50 0.506 -1.780 -11.542 1.00 31.41 N ATOM 0 H LYS A 50 0.862 3.245 -10.585 1.00 54.21 H new ATOM 0 HA LYS A 50 -0.354 4.664 -12.796 1.00 51.11 H new ATOM 0 HB2 LYS A 50 -0.266 2.459 -14.105 1.00 41.40 H new ATOM 0 HB3 LYS A 50 1.144 3.500 -14.093 1.00 41.40 H new ATOM 0 HG2 LYS A 50 1.967 1.288 -13.878 1.00 61.23 H new ATOM 0 HG3 LYS A 50 2.124 2.004 -12.287 1.00 61.23 H new ATOM 0 HD2 LYS A 50 -0.002 0.936 -11.596 1.00 31.11 H new ATOM 0 HD3 LYS A 50 -0.158 0.219 -13.188 1.00 31.11 H new ATOM 0 HE2 LYS A 50 2.028 -0.969 -12.804 1.00 51.23 H new ATOM 0 HE3 LYS A 50 2.038 -0.337 -11.169 1.00 51.23 H new ATOM 0 HZ1 LYS A 50 0.975 -2.298 -10.772 1.00 31.41 H new ATOM 0 HZ2 LYS A 50 -0.404 -1.407 -11.204 1.00 31.41 H new ATOM 0 HZ3 LYS A 50 0.340 -2.424 -12.342 1.00 31.41 H new ATOM 794 N ASN A 51 -2.447 3.550 -12.525 1.00 13.30 N ATOM 795 CA ASN A 51 -3.783 3.030 -12.334 1.00 53.32 C ATOM 796 C ASN A 51 -4.184 2.327 -13.601 1.00 34.10 C ATOM 797 O ASN A 51 -4.139 2.953 -14.655 1.00 41.01 O ATOM 798 CB ASN A 51 -4.804 4.150 -12.035 1.00 11.23 C ATOM 799 CG ASN A 51 -4.494 4.962 -10.791 1.00 73.12 C ATOM 800 OD1 ASN A 51 -4.900 4.616 -9.708 1.00 34.34 O ATOM 801 ND2 ASN A 51 -3.808 6.074 -10.954 1.00 63.43 N ATOM 0 H ASN A 51 -2.399 4.298 -13.217 1.00 13.30 H new ATOM 0 HA ASN A 51 -3.779 2.354 -11.479 1.00 53.32 H new ATOM 0 HB2 ASN A 51 -4.849 4.822 -12.892 1.00 11.23 H new ATOM 0 HB3 ASN A 51 -5.793 3.705 -11.927 1.00 11.23 H new ATOM 0 HD21 ASN A 51 -3.606 6.671 -10.152 1.00 63.43 H new ATOM 0 HD22 ASN A 51 -3.479 6.339 -11.882 1.00 63.43 H new ATOM 808 N ASN A 52 -4.559 1.076 -13.554 1.00 34.33 N ATOM 809 CA ASN A 52 -5.066 0.448 -14.797 1.00 61.34 C ATOM 810 C ASN A 52 -6.566 0.274 -14.711 1.00 22.35 C ATOM 811 O ASN A 52 -7.194 -0.367 -15.544 1.00 15.11 O ATOM 812 CB ASN A 52 -4.384 -0.887 -15.161 1.00 72.22 C ATOM 813 CG ASN A 52 -2.878 -0.776 -15.348 1.00 11.44 C ATOM 814 OD1 ASN A 52 -2.384 -0.458 -16.422 1.00 3.41 O ATOM 815 ND2 ASN A 52 -2.142 -1.090 -14.320 1.00 43.04 N ATOM 0 H ASN A 52 -4.536 0.478 -12.728 1.00 34.33 H new ATOM 0 HA ASN A 52 -4.811 1.132 -15.607 1.00 61.34 H new ATOM 0 HB2 ASN A 52 -4.591 -1.616 -14.377 1.00 72.22 H new ATOM 0 HB3 ASN A 52 -4.827 -1.272 -16.079 1.00 72.22 H new ATOM 0 HD21 ASN A 52 -1.125 -1.075 -14.397 1.00 43.04 H new ATOM 0 HD22 ASN A 52 -2.583 -1.351 -13.438 1.00 43.04 H new ATOM 822 N GLY A 53 -7.145 0.836 -13.669 1.00 21.41 N ATOM 823 CA GLY A 53 -8.581 0.822 -13.524 1.00 2.22 C ATOM 824 C GLY A 53 -9.055 -0.211 -12.537 1.00 54.12 C ATOM 825 O GLY A 53 -10.104 -0.037 -11.881 1.00 2.11 O ATOM 0 H GLY A 53 -6.643 1.305 -12.915 1.00 21.41 H new ATOM 0 HA2 GLY A 53 -8.919 1.807 -13.203 1.00 2.22 H new ATOM 0 HA3 GLY A 53 -9.038 0.628 -14.494 1.00 2.22 H new ATOM 829 N THR A 54 -8.341 -1.293 -12.443 1.00 34.13 N ATOM 830 CA THR A 54 -8.672 -2.318 -11.492 1.00 4.22 C ATOM 831 C THR A 54 -7.571 -2.452 -10.451 1.00 1.44 C ATOM 832 O THR A 54 -7.759 -3.114 -9.410 1.00 3.30 O ATOM 833 CB THR A 54 -8.985 -3.684 -12.171 1.00 54.23 C ATOM 834 OG1 THR A 54 -9.340 -4.660 -11.177 1.00 41.42 O ATOM 835 CG2 THR A 54 -7.804 -4.189 -12.997 1.00 21.31 C ATOM 0 H THR A 54 -7.521 -1.491 -13.016 1.00 34.13 H new ATOM 0 HA THR A 54 -9.589 -2.011 -10.989 1.00 4.22 H new ATOM 0 HB THR A 54 -9.825 -3.531 -12.848 1.00 54.23 H new ATOM 0 HG1 THR A 54 -9.014 -4.368 -10.300 1.00 41.42 H new ATOM 0 HG21 THR A 54 -8.062 -5.144 -13.454 1.00 21.31 H new ATOM 0 HG22 THR A 54 -7.569 -3.465 -13.777 1.00 21.31 H new ATOM 0 HG23 THR A 54 -6.937 -4.319 -12.350 1.00 21.31 H new ATOM 843 N ASP A 55 -6.450 -1.829 -10.724 1.00 74.31 N ATOM 844 CA ASP A 55 -5.343 -1.800 -9.814 1.00 65.11 C ATOM 845 C ASP A 55 -4.823 -0.400 -9.789 1.00 64.10 C ATOM 846 O ASP A 55 -5.060 0.390 -10.735 1.00 11.42 O ATOM 847 CB ASP A 55 -4.178 -2.733 -10.249 1.00 23.44 C ATOM 848 CG ASP A 55 -3.342 -2.156 -11.389 1.00 53.32 C ATOM 849 OD1 ASP A 55 -3.876 -2.007 -12.478 1.00 14.53 O ATOM 850 OD2 ASP A 55 -2.143 -1.806 -11.187 1.00 61.33 O ATOM 0 H ASP A 55 -6.284 -1.324 -11.595 1.00 74.31 H new ATOM 0 HA ASP A 55 -5.695 -2.143 -8.841 1.00 65.11 H new ATOM 0 HB2 ASP A 55 -3.532 -2.921 -9.392 1.00 23.44 H new ATOM 0 HB3 ASP A 55 -4.587 -3.695 -10.557 1.00 23.44 H new ATOM 855 N ALA A 56 -4.188 -0.091 -8.731 1.00 1.12 N ATOM 856 CA ALA A 56 -3.485 1.127 -8.555 1.00 52.24 C ATOM 857 C ALA A 56 -2.247 0.738 -7.835 1.00 5.15 C ATOM 858 O ALA A 56 -2.318 0.074 -6.795 1.00 52.51 O ATOM 859 CB ALA A 56 -4.290 2.122 -7.746 1.00 43.13 C ATOM 0 H ALA A 56 -4.137 -0.706 -7.919 1.00 1.12 H new ATOM 0 HA ALA A 56 -3.280 1.620 -9.505 1.00 52.24 H new ATOM 0 HB1 ALA A 56 -3.720 3.044 -7.631 1.00 43.13 H new ATOM 0 HB2 ALA A 56 -5.227 2.336 -8.261 1.00 43.13 H new ATOM 0 HB3 ALA A 56 -4.504 1.703 -6.763 1.00 43.13 H new ATOM 865 N GLU A 57 -1.136 1.059 -8.374 1.00 31.12 N ATOM 866 CA GLU A 57 0.086 0.611 -7.806 1.00 44.33 C ATOM 867 C GLU A 57 1.119 1.690 -7.889 1.00 33.42 C ATOM 868 O GLU A 57 1.324 2.300 -8.957 1.00 75.25 O ATOM 869 CB GLU A 57 0.553 -0.611 -8.568 1.00 73.54 C ATOM 870 CG GLU A 57 1.791 -1.310 -8.030 1.00 43.24 C ATOM 871 CD GLU A 57 2.285 -2.351 -9.004 1.00 34.20 C ATOM 872 OE1 GLU A 57 1.463 -3.141 -9.506 1.00 52.43 O ATOM 873 OE2 GLU A 57 3.455 -2.306 -9.373 1.00 10.22 O ATOM 0 H GLU A 57 -1.040 1.633 -9.212 1.00 31.12 H new ATOM 0 HA GLU A 57 -0.066 0.360 -6.756 1.00 44.33 H new ATOM 0 HB2 GLU A 57 -0.264 -1.332 -8.591 1.00 73.54 H new ATOM 0 HB3 GLU A 57 0.748 -0.317 -9.599 1.00 73.54 H new ATOM 0 HG2 GLU A 57 2.576 -0.577 -7.845 1.00 43.24 H new ATOM 0 HG3 GLU A 57 1.562 -1.780 -7.074 1.00 43.24 H new ATOM 880 N ILE A 58 1.731 1.947 -6.779 1.00 5.21 N ATOM 881 CA ILE A 58 2.793 2.850 -6.699 1.00 2.43 C ATOM 882 C ILE A 58 4.044 2.105 -6.312 1.00 5.15 C ATOM 883 O ILE A 58 4.076 1.382 -5.302 1.00 41.54 O ATOM 884 CB ILE A 58 2.532 4.052 -5.751 1.00 32.44 C ATOM 885 CG1 ILE A 58 1.881 3.666 -4.392 1.00 13.12 C ATOM 886 CG2 ILE A 58 1.707 5.110 -6.459 1.00 1.24 C ATOM 887 CD1 ILE A 58 0.366 3.516 -4.441 1.00 63.03 C ATOM 0 H ILE A 58 1.487 1.514 -5.888 1.00 5.21 H new ATOM 0 HA ILE A 58 2.913 3.297 -7.686 1.00 2.43 H new ATOM 0 HB ILE A 58 3.514 4.453 -5.499 1.00 32.44 H new ATOM 0 HG12 ILE A 58 2.316 2.728 -4.048 1.00 13.12 H new ATOM 0 HG13 ILE A 58 2.135 4.425 -3.652 1.00 13.12 H new ATOM 0 HG21 ILE A 58 1.531 5.947 -5.783 1.00 1.24 H new ATOM 0 HG22 ILE A 58 2.244 5.461 -7.340 1.00 1.24 H new ATOM 0 HG23 ILE A 58 0.752 4.683 -6.764 1.00 1.24 H new ATOM 0 HD11 ILE A 58 -0.005 3.246 -3.452 1.00 63.03 H new ATOM 0 HD12 ILE A 58 -0.083 4.459 -4.752 1.00 63.03 H new ATOM 0 HD13 ILE A 58 0.101 2.735 -5.154 1.00 63.03 H new ATOM 899 N VAL A 59 5.046 2.252 -7.127 1.00 61.44 N ATOM 900 CA VAL A 59 6.289 1.560 -6.969 1.00 34.42 C ATOM 901 C VAL A 59 7.390 2.550 -6.723 1.00 31.30 C ATOM 902 O VAL A 59 7.568 3.497 -7.482 1.00 13.21 O ATOM 903 CB VAL A 59 6.654 0.746 -8.242 1.00 4.13 C ATOM 904 CG1 VAL A 59 7.911 -0.093 -8.029 1.00 64.20 C ATOM 905 CG2 VAL A 59 5.504 -0.121 -8.686 1.00 11.12 C ATOM 0 H VAL A 59 5.021 2.870 -7.938 1.00 61.44 H new ATOM 0 HA VAL A 59 6.179 0.878 -6.126 1.00 34.42 H new ATOM 0 HB VAL A 59 6.862 1.464 -9.035 1.00 4.13 H new ATOM 0 HG11 VAL A 59 8.136 -0.649 -8.939 1.00 64.20 H new ATOM 0 HG12 VAL A 59 8.748 0.561 -7.787 1.00 64.20 H new ATOM 0 HG13 VAL A 59 7.747 -0.792 -7.209 1.00 64.20 H new ATOM 0 HG21 VAL A 59 5.791 -0.677 -9.578 1.00 11.12 H new ATOM 0 HG22 VAL A 59 5.247 -0.820 -7.890 1.00 11.12 H new ATOM 0 HG23 VAL A 59 4.641 0.506 -8.911 1.00 11.12 H new ATOM 915 N SER A 60 8.065 2.355 -5.671 1.00 62.43 N ATOM 916 CA SER A 60 9.220 3.083 -5.326 1.00 61.03 C ATOM 917 C SER A 60 10.360 2.082 -5.205 1.00 34.03 C ATOM 918 O SER A 60 10.130 0.861 -5.217 1.00 11.52 O ATOM 919 CB SER A 60 8.998 3.817 -4.004 1.00 72.14 C ATOM 920 OG SER A 60 10.165 4.489 -3.592 1.00 13.20 O ATOM 0 H SER A 60 7.818 1.644 -4.983 1.00 62.43 H new ATOM 0 HA SER A 60 9.454 3.833 -6.082 1.00 61.03 H new ATOM 0 HB2 SER A 60 8.183 4.532 -4.115 1.00 72.14 H new ATOM 0 HB3 SER A 60 8.695 3.105 -3.236 1.00 72.14 H new ATOM 0 HG SER A 60 10.149 5.409 -3.930 1.00 13.20 H new ATOM 926 N ALA A 61 11.536 2.575 -5.073 1.00 12.42 N ATOM 927 CA ALA A 61 12.728 1.762 -4.975 1.00 72.23 C ATOM 928 C ALA A 61 13.693 2.406 -4.009 1.00 72.11 C ATOM 929 O ALA A 61 13.876 3.614 -4.041 1.00 3.41 O ATOM 930 CB ALA A 61 13.378 1.597 -6.346 1.00 23.11 C ATOM 0 H ALA A 61 11.719 3.577 -5.027 1.00 12.42 H new ATOM 0 HA ALA A 61 12.457 0.772 -4.608 1.00 72.23 H new ATOM 0 HB1 ALA A 61 14.273 0.982 -6.253 1.00 23.11 H new ATOM 0 HB2 ALA A 61 12.676 1.114 -7.026 1.00 23.11 H new ATOM 0 HB3 ALA A 61 13.650 2.576 -6.740 1.00 23.11 H new ATOM 936 N SER A 62 14.288 1.615 -3.150 1.00 75.15 N ATOM 937 CA SER A 62 15.216 2.126 -2.190 1.00 74.41 C ATOM 938 C SER A 62 16.587 2.351 -2.821 1.00 13.00 C ATOM 939 O SER A 62 17.139 1.475 -3.496 1.00 73.20 O ATOM 940 CB SER A 62 15.269 1.202 -0.981 1.00 54.45 C ATOM 941 OG SER A 62 13.959 1.081 -0.429 1.00 11.44 O ATOM 0 H SER A 62 14.140 0.607 -3.102 1.00 75.15 H new ATOM 0 HA SER A 62 14.877 3.102 -1.842 1.00 74.41 H new ATOM 0 HB2 SER A 62 15.646 0.222 -1.273 1.00 54.45 H new ATOM 0 HB3 SER A 62 15.957 1.599 -0.234 1.00 54.45 H new ATOM 0 HG SER A 62 14.008 0.613 0.431 1.00 11.44 H new ATOM 947 N ASP A 63 17.103 3.533 -2.592 1.00 42.35 N ATOM 948 CA ASP A 63 18.353 4.025 -3.167 1.00 73.14 C ATOM 949 C ASP A 63 19.580 3.351 -2.569 1.00 61.12 C ATOM 950 O ASP A 63 20.577 3.154 -3.258 1.00 22.24 O ATOM 951 CB ASP A 63 18.445 5.526 -2.870 1.00 44.10 C ATOM 952 CG ASP A 63 18.383 5.785 -1.369 1.00 10.13 C ATOM 953 OD1 ASP A 63 17.268 5.676 -0.800 1.00 30.02 O ATOM 954 OD2 ASP A 63 19.428 6.007 -0.745 1.00 73.14 O ATOM 0 H ASP A 63 16.655 4.213 -1.978 1.00 42.35 H new ATOM 0 HA ASP A 63 18.341 3.807 -4.235 1.00 73.14 H new ATOM 0 HB2 ASP A 63 19.375 5.925 -3.274 1.00 44.10 H new ATOM 0 HB3 ASP A 63 17.630 6.051 -3.368 1.00 44.10 H new ATOM 959 N SER A 64 19.499 2.969 -1.317 1.00 25.51 N ATOM 960 CA SER A 64 20.639 2.397 -0.657 1.00 54.12 C ATOM 961 C SER A 64 20.732 0.900 -0.957 1.00 52.33 C ATOM 962 O SER A 64 21.804 0.369 -1.255 1.00 71.11 O ATOM 963 CB SER A 64 20.507 2.644 0.842 1.00 24.11 C ATOM 964 OG SER A 64 20.277 4.027 1.125 1.00 10.35 O ATOM 0 H SER A 64 18.660 3.045 -0.741 1.00 25.51 H new ATOM 0 HA SER A 64 21.554 2.864 -1.022 1.00 54.12 H new ATOM 0 HB2 SER A 64 19.685 2.048 1.239 1.00 24.11 H new ATOM 0 HB3 SER A 64 21.414 2.314 1.348 1.00 24.11 H new ATOM 0 HG SER A 64 20.088 4.505 0.290 1.00 10.35 H new ATOM 970 N ASP A 65 19.610 0.237 -0.897 1.00 53.25 N ATOM 971 CA ASP A 65 19.529 -1.160 -1.197 1.00 44.23 C ATOM 972 C ASP A 65 18.430 -1.403 -2.212 1.00 21.12 C ATOM 973 O ASP A 65 17.252 -1.398 -1.896 1.00 33.31 O ATOM 974 CB ASP A 65 19.388 -2.027 0.086 1.00 74.13 C ATOM 975 CG ASP A 65 18.154 -1.740 0.931 1.00 40.54 C ATOM 976 OD1 ASP A 65 17.845 -0.546 1.191 1.00 72.43 O ATOM 977 OD2 ASP A 65 17.487 -2.700 1.342 1.00 71.44 O ATOM 0 H ASP A 65 18.719 0.659 -0.635 1.00 53.25 H new ATOM 0 HA ASP A 65 20.468 -1.479 -1.649 1.00 44.23 H new ATOM 0 HB2 ASP A 65 19.373 -3.077 -0.205 1.00 74.13 H new ATOM 0 HB3 ASP A 65 20.274 -1.880 0.704 1.00 74.13 H new ATOM 982 N SER A 66 18.843 -1.599 -3.449 1.00 42.41 N ATOM 983 CA SER A 66 17.944 -1.758 -4.597 1.00 44.24 C ATOM 984 C SER A 66 16.989 -2.964 -4.460 1.00 64.32 C ATOM 985 O SER A 66 15.970 -3.040 -5.156 1.00 44.30 O ATOM 986 CB SER A 66 18.772 -1.850 -5.894 1.00 12.54 C ATOM 987 OG SER A 66 17.953 -1.934 -7.045 1.00 51.42 O ATOM 0 H SER A 66 19.830 -1.655 -3.699 1.00 42.41 H new ATOM 0 HA SER A 66 17.304 -0.877 -4.633 1.00 44.24 H new ATOM 0 HB2 SER A 66 19.419 -0.976 -5.973 1.00 12.54 H new ATOM 0 HB3 SER A 66 19.421 -2.724 -5.847 1.00 12.54 H new ATOM 0 HG SER A 66 18.517 -1.989 -7.845 1.00 51.42 H new ATOM 993 N THR A 67 17.315 -3.895 -3.580 1.00 52.12 N ATOM 994 CA THR A 67 16.486 -5.062 -3.376 1.00 4.30 C ATOM 995 C THR A 67 15.253 -4.694 -2.517 1.00 5.21 C ATOM 996 O THR A 67 14.235 -5.412 -2.496 1.00 33.44 O ATOM 997 CB THR A 67 17.312 -6.233 -2.745 1.00 32.21 C ATOM 998 OG1 THR A 67 16.499 -7.387 -2.527 1.00 50.24 O ATOM 999 CG2 THR A 67 17.974 -5.816 -1.441 1.00 73.35 C ATOM 0 H THR A 67 18.151 -3.862 -2.996 1.00 52.12 H new ATOM 0 HA THR A 67 16.126 -5.414 -4.343 1.00 4.30 H new ATOM 0 HB THR A 67 18.093 -6.486 -3.462 1.00 32.21 H new ATOM 0 HG1 THR A 67 17.043 -8.101 -2.134 1.00 50.24 H new ATOM 0 HG21 THR A 67 18.538 -6.656 -1.034 1.00 73.35 H new ATOM 0 HG22 THR A 67 18.650 -4.981 -1.627 1.00 73.35 H new ATOM 0 HG23 THR A 67 17.210 -5.512 -0.726 1.00 73.35 H new ATOM 1007 N ASP A 68 15.319 -3.548 -1.872 1.00 20.51 N ATOM 1008 CA ASP A 68 14.217 -3.048 -1.098 1.00 2.41 C ATOM 1009 C ASP A 68 13.503 -2.030 -1.924 1.00 33.34 C ATOM 1010 O ASP A 68 14.126 -1.226 -2.616 1.00 31.14 O ATOM 1011 CB ASP A 68 14.688 -2.456 0.226 1.00 22.42 C ATOM 1012 CG ASP A 68 13.577 -1.875 1.070 1.00 24.34 C ATOM 1013 OD1 ASP A 68 12.572 -2.573 1.333 1.00 41.00 O ATOM 1014 OD2 ASP A 68 13.691 -0.710 1.497 1.00 24.20 O ATOM 0 H ASP A 68 16.140 -2.942 -1.873 1.00 20.51 H new ATOM 0 HA ASP A 68 13.541 -3.865 -0.845 1.00 2.41 H new ATOM 0 HB2 ASP A 68 15.197 -3.231 0.798 1.00 22.42 H new ATOM 0 HB3 ASP A 68 15.422 -1.676 0.023 1.00 22.42 H new ATOM 1019 N SER A 69 12.222 -2.131 -1.971 1.00 54.15 N ATOM 1020 CA SER A 69 11.445 -1.232 -2.757 1.00 43.23 C ATOM 1021 C SER A 69 10.136 -1.063 -2.052 1.00 43.22 C ATOM 1022 O SER A 69 9.661 -2.018 -1.424 1.00 63.03 O ATOM 1023 CB SER A 69 11.189 -1.844 -4.140 1.00 24.40 C ATOM 1024 OG SER A 69 12.209 -2.802 -4.485 1.00 23.14 O ATOM 0 H SER A 69 11.682 -2.835 -1.469 1.00 54.15 H new ATOM 0 HA SER A 69 11.960 -0.280 -2.883 1.00 43.23 H new ATOM 0 HB2 SER A 69 10.213 -2.329 -4.151 1.00 24.40 H new ATOM 0 HB3 SER A 69 11.160 -1.054 -4.890 1.00 24.40 H new ATOM 0 HG SER A 69 12.020 -3.177 -5.370 1.00 23.14 H new ATOM 1030 N LEU A 70 9.557 0.089 -2.115 1.00 32.23 N ATOM 1031 CA LEU A 70 8.255 0.241 -1.562 1.00 21.43 C ATOM 1032 C LEU A 70 7.284 0.141 -2.720 1.00 75.13 C ATOM 1033 O LEU A 70 7.237 0.995 -3.573 1.00 11.12 O ATOM 1034 CB LEU A 70 8.144 1.597 -0.784 1.00 73.12 C ATOM 1035 CG LEU A 70 6.835 1.913 0.013 1.00 4.04 C ATOM 1036 CD1 LEU A 70 5.645 2.228 -0.893 1.00 23.11 C ATOM 1037 CD2 LEU A 70 6.496 0.774 0.971 1.00 52.34 C ATOM 0 H LEU A 70 9.957 0.927 -2.537 1.00 32.23 H new ATOM 0 HA LEU A 70 8.028 -0.532 -0.828 1.00 21.43 H new ATOM 0 HB2 LEU A 70 8.975 1.641 -0.081 1.00 73.12 H new ATOM 0 HB3 LEU A 70 8.293 2.402 -1.504 1.00 73.12 H new ATOM 0 HG LEU A 70 7.035 2.816 0.590 1.00 4.04 H new ATOM 0 HD11 LEU A 70 4.768 2.438 -0.281 1.00 23.11 H new ATOM 0 HD12 LEU A 70 5.876 3.098 -1.508 1.00 23.11 H new ATOM 0 HD13 LEU A 70 5.442 1.372 -1.537 1.00 23.11 H new ATOM 0 HD21 LEU A 70 5.582 1.015 1.514 1.00 52.34 H new ATOM 0 HD22 LEU A 70 6.349 -0.146 0.405 1.00 52.34 H new ATOM 0 HD23 LEU A 70 7.314 0.638 1.679 1.00 52.34 H new ATOM 1049 N GLN A 71 6.555 -0.915 -2.753 1.00 55.45 N ATOM 1050 CA GLN A 71 5.555 -1.137 -3.760 1.00 52.11 C ATOM 1051 C GLN A 71 4.288 -1.501 -3.077 1.00 40.55 C ATOM 1052 O GLN A 71 4.271 -2.391 -2.213 1.00 40.12 O ATOM 1053 CB GLN A 71 5.992 -2.216 -4.789 1.00 24.31 C ATOM 1054 CG GLN A 71 4.836 -2.943 -5.501 1.00 43.41 C ATOM 1055 CD GLN A 71 5.314 -4.018 -6.463 1.00 71.53 C ATOM 1056 OE1 GLN A 71 5.574 -5.149 -6.056 1.00 35.11 O ATOM 1057 NE2 GLN A 71 5.309 -3.733 -7.734 1.00 2.12 N ATOM 0 H GLN A 71 6.630 -1.670 -2.072 1.00 55.45 H new ATOM 0 HA GLN A 71 5.411 -0.225 -4.339 1.00 52.11 H new ATOM 0 HB2 GLN A 71 6.623 -1.744 -5.542 1.00 24.31 H new ATOM 0 HB3 GLN A 71 6.607 -2.957 -4.277 1.00 24.31 H new ATOM 0 HG2 GLN A 71 4.184 -3.395 -4.754 1.00 43.41 H new ATOM 0 HG3 GLN A 71 4.237 -2.214 -6.047 1.00 43.41 H new ATOM 0 HE21 GLN A 71 5.090 -2.786 -8.043 1.00 2.12 H new ATOM 0 HE22 GLN A 71 5.524 -4.457 -8.420 1.00 2.12 H new ATOM 1066 N VAL A 72 3.270 -0.774 -3.380 1.00 10.22 N ATOM 1067 CA VAL A 72 1.984 -1.021 -2.836 1.00 43.54 C ATOM 1068 C VAL A 72 1.022 -1.174 -3.991 1.00 5.01 C ATOM 1069 O VAL A 72 0.898 -0.269 -4.822 1.00 72.12 O ATOM 1070 CB VAL A 72 1.537 0.147 -1.907 1.00 73.45 C ATOM 1071 CG1 VAL A 72 0.141 -0.084 -1.379 1.00 10.32 C ATOM 1072 CG2 VAL A 72 2.503 0.317 -0.744 1.00 62.21 C ATOM 0 H VAL A 72 3.309 0.019 -4.021 1.00 10.22 H new ATOM 0 HA VAL A 72 2.002 -1.926 -2.229 1.00 43.54 H new ATOM 0 HB VAL A 72 1.540 1.059 -2.504 1.00 73.45 H new ATOM 0 HG11 VAL A 72 -0.146 0.746 -0.733 1.00 10.32 H new ATOM 0 HG12 VAL A 72 -0.557 -0.153 -2.213 1.00 10.32 H new ATOM 0 HG13 VAL A 72 0.117 -1.012 -0.808 1.00 10.32 H new ATOM 0 HG21 VAL A 72 2.169 1.139 -0.110 1.00 62.21 H new ATOM 0 HG22 VAL A 72 2.534 -0.603 -0.160 1.00 62.21 H new ATOM 0 HG23 VAL A 72 3.499 0.537 -1.128 1.00 62.21 H new ATOM 1082 N ALA A 73 0.362 -2.297 -4.035 1.00 54.53 N ATOM 1083 CA ALA A 73 -0.571 -2.600 -5.084 1.00 73.22 C ATOM 1084 C ALA A 73 -1.952 -2.731 -4.497 1.00 53.25 C ATOM 1085 O ALA A 73 -2.131 -3.346 -3.438 1.00 70.30 O ATOM 1086 CB ALA A 73 -0.169 -3.880 -5.803 1.00 2.11 C ATOM 0 H ALA A 73 0.457 -3.035 -3.337 1.00 54.53 H new ATOM 0 HA ALA A 73 -0.568 -1.791 -5.815 1.00 73.22 H new ATOM 0 HB1 ALA A 73 -0.887 -4.094 -6.594 1.00 2.11 H new ATOM 0 HB2 ALA A 73 0.823 -3.757 -6.237 1.00 2.11 H new ATOM 0 HB3 ALA A 73 -0.155 -4.707 -5.093 1.00 2.11 H new ATOM 1092 N MET A 74 -2.903 -2.136 -5.146 1.00 41.12 N ATOM 1093 CA MET A 74 -4.277 -2.135 -4.700 1.00 70.33 C ATOM 1094 C MET A 74 -5.099 -2.854 -5.722 1.00 51.33 C ATOM 1095 O MET A 74 -4.950 -2.597 -6.909 1.00 54.12 O ATOM 1096 CB MET A 74 -4.790 -0.699 -4.639 1.00 73.04 C ATOM 1097 CG MET A 74 -3.897 0.241 -3.881 1.00 70.44 C ATOM 1098 SD MET A 74 -4.406 1.945 -4.002 1.00 1.54 S ATOM 1099 CE MET A 74 -2.988 2.712 -3.263 1.00 3.54 C ATOM 0 H MET A 74 -2.753 -1.626 -6.017 1.00 41.12 H new ATOM 0 HA MET A 74 -4.344 -2.608 -3.720 1.00 70.33 H new ATOM 0 HB2 MET A 74 -4.913 -0.325 -5.656 1.00 73.04 H new ATOM 0 HB3 MET A 74 -5.777 -0.697 -4.177 1.00 73.04 H new ATOM 0 HG2 MET A 74 -3.879 -0.052 -2.831 1.00 70.44 H new ATOM 0 HG3 MET A 74 -2.878 0.145 -4.256 1.00 70.44 H new ATOM 0 HE1 MET A 74 -3.032 3.789 -3.424 1.00 3.54 H new ATOM 0 HE2 MET A 74 -2.979 2.505 -2.193 1.00 3.54 H new ATOM 0 HE3 MET A 74 -2.081 2.314 -3.718 1.00 3.54 H new ATOM 1109 N LYS A 75 -5.945 -3.742 -5.295 1.00 44.41 N ATOM 1110 CA LYS A 75 -6.822 -4.383 -6.189 1.00 64.10 C ATOM 1111 C LYS A 75 -8.242 -4.017 -5.829 1.00 30.42 C ATOM 1112 O LYS A 75 -8.668 -4.185 -4.682 1.00 44.24 O ATOM 1113 CB LYS A 75 -6.671 -5.888 -6.134 1.00 21.23 C ATOM 1114 CG LYS A 75 -7.588 -6.561 -7.112 1.00 53.52 C ATOM 1115 CD LYS A 75 -7.637 -8.042 -6.940 1.00 54.31 C ATOM 1116 CE LYS A 75 -8.596 -8.620 -7.942 1.00 61.11 C ATOM 1117 NZ LYS A 75 -9.985 -8.087 -7.774 1.00 54.43 N ATOM 0 H LYS A 75 -6.036 -4.032 -4.321 1.00 44.41 H new ATOM 0 HA LYS A 75 -6.581 -4.054 -7.200 1.00 64.10 H new ATOM 0 HB2 LYS A 75 -5.639 -6.161 -6.352 1.00 21.23 H new ATOM 0 HB3 LYS A 75 -6.888 -6.241 -5.126 1.00 21.23 H new ATOM 0 HG2 LYS A 75 -8.593 -6.154 -6.999 1.00 53.52 H new ATOM 0 HG3 LYS A 75 -7.262 -6.329 -8.126 1.00 53.52 H new ATOM 0 HD2 LYS A 75 -6.644 -8.470 -7.079 1.00 54.31 H new ATOM 0 HD3 LYS A 75 -7.954 -8.293 -5.928 1.00 54.31 H new ATOM 0 HE2 LYS A 75 -8.243 -8.397 -8.949 1.00 61.11 H new ATOM 0 HE3 LYS A 75 -8.611 -9.705 -7.842 1.00 61.11 H new ATOM 0 HZ1 LYS A 75 -10.639 -8.875 -7.592 1.00 54.43 H new ATOM 0 HZ2 LYS A 75 -10.008 -7.425 -6.972 1.00 54.43 H new ATOM 0 HZ3 LYS A 75 -10.274 -7.591 -8.641 1.00 54.43 H new ATOM 1131 N LYS A 76 -8.964 -3.580 -6.812 1.00 21.34 N ATOM 1132 CA LYS A 76 -10.321 -3.143 -6.650 1.00 63.13 C ATOM 1133 C LYS A 76 -11.261 -4.345 -6.611 1.00 5.44 C ATOM 1134 O LYS A 76 -11.162 -5.277 -7.452 1.00 43.44 O ATOM 1135 CB LYS A 76 -10.691 -2.233 -7.814 1.00 72.13 C ATOM 1136 CG LYS A 76 -12.037 -1.522 -7.684 1.00 23.21 C ATOM 1137 CD LYS A 76 -12.310 -0.667 -8.909 1.00 24.44 C ATOM 1138 CE LYS A 76 -12.612 -1.526 -10.107 1.00 52.14 C ATOM 1139 NZ LYS A 76 -12.707 -0.732 -11.356 1.00 42.43 N ATOM 0 H LYS A 76 -8.623 -3.514 -7.771 1.00 21.34 H new ATOM 0 HA LYS A 76 -10.417 -2.598 -5.711 1.00 63.13 H new ATOM 0 HB2 LYS A 76 -9.911 -1.481 -7.928 1.00 72.13 H new ATOM 0 HB3 LYS A 76 -10.698 -2.825 -8.729 1.00 72.13 H new ATOM 0 HG2 LYS A 76 -12.833 -2.257 -7.562 1.00 23.21 H new ATOM 0 HG3 LYS A 76 -12.040 -0.898 -6.790 1.00 23.21 H new ATOM 0 HD2 LYS A 76 -13.150 -0.001 -8.713 1.00 24.44 H new ATOM 0 HD3 LYS A 76 -11.446 -0.036 -9.117 1.00 24.44 H new ATOM 0 HE2 LYS A 76 -11.833 -2.281 -10.217 1.00 52.14 H new ATOM 0 HE3 LYS A 76 -13.550 -2.057 -9.944 1.00 52.14 H new ATOM 0 HZ1 LYS A 76 -13.174 -1.298 -12.093 1.00 42.43 H new ATOM 0 HZ2 LYS A 76 -13.262 0.130 -11.178 1.00 42.43 H new ATOM 0 HZ3 LYS A 76 -11.752 -0.469 -11.674 1.00 42.43 H new ATOM 1153 N LEU A 77 -12.080 -4.383 -5.597 1.00 14.25 N ATOM 1154 CA LEU A 77 -13.086 -5.406 -5.451 1.00 12.15 C ATOM 1155 C LEU A 77 -14.461 -4.777 -5.699 1.00 24.55 C ATOM 1156 O LEU A 77 -14.681 -3.616 -5.351 1.00 5.24 O ATOM 1157 CB LEU A 77 -13.019 -6.047 -4.054 1.00 21.42 C ATOM 1158 CG LEU A 77 -11.700 -6.749 -3.691 1.00 21.41 C ATOM 1159 CD1 LEU A 77 -11.751 -7.274 -2.273 1.00 44.33 C ATOM 1160 CD2 LEU A 77 -11.410 -7.887 -4.654 1.00 73.23 C ATOM 0 H LEU A 77 -12.070 -3.700 -4.840 1.00 14.25 H new ATOM 0 HA LEU A 77 -12.910 -6.199 -6.178 1.00 12.15 H new ATOM 0 HB2 LEU A 77 -13.210 -5.272 -3.312 1.00 21.42 H new ATOM 0 HB3 LEU A 77 -13.828 -6.773 -3.971 1.00 21.42 H new ATOM 0 HG LEU A 77 -10.897 -6.016 -3.768 1.00 21.41 H new ATOM 0 HD11 LEU A 77 -10.809 -7.768 -2.034 1.00 44.33 H new ATOM 0 HD12 LEU A 77 -11.912 -6.445 -1.584 1.00 44.33 H new ATOM 0 HD13 LEU A 77 -12.569 -7.988 -2.179 1.00 44.33 H new ATOM 0 HD21 LEU A 77 -10.472 -8.368 -4.377 1.00 73.23 H new ATOM 0 HD22 LEU A 77 -12.219 -8.616 -4.610 1.00 73.23 H new ATOM 0 HD23 LEU A 77 -11.331 -7.494 -5.668 1.00 73.23 H new ATOM 1172 N PRO A 78 -15.408 -5.533 -6.290 1.00 62.13 N ATOM 1173 CA PRO A 78 -16.743 -5.005 -6.667 1.00 10.22 C ATOM 1174 C PRO A 78 -17.637 -4.696 -5.463 1.00 25.14 C ATOM 1175 O PRO A 78 -18.641 -4.015 -5.584 1.00 33.11 O ATOM 1176 CB PRO A 78 -17.348 -6.140 -7.503 1.00 14.33 C ATOM 1177 CG PRO A 78 -16.666 -7.373 -7.024 1.00 11.54 C ATOM 1178 CD PRO A 78 -15.269 -6.962 -6.653 1.00 2.21 C ATOM 0 HA PRO A 78 -16.659 -4.054 -7.194 1.00 10.22 H new ATOM 0 HB2 PRO A 78 -18.427 -6.204 -7.360 1.00 14.33 H new ATOM 0 HB3 PRO A 78 -17.176 -5.982 -8.568 1.00 14.33 H new ATOM 0 HG2 PRO A 78 -17.187 -7.798 -6.166 1.00 11.54 H new ATOM 0 HG3 PRO A 78 -16.654 -8.138 -7.801 1.00 11.54 H new ATOM 0 HD2 PRO A 78 -14.886 -7.551 -5.820 1.00 2.21 H new ATOM 0 HD3 PRO A 78 -14.577 -7.099 -7.484 1.00 2.21 H new ATOM 1186 N ASN A 79 -17.225 -5.154 -4.300 1.00 62.41 N ATOM 1187 CA ASN A 79 -18.007 -4.970 -3.073 1.00 43.12 C ATOM 1188 C ASN A 79 -17.637 -3.663 -2.399 1.00 1.43 C ATOM 1189 O ASN A 79 -18.021 -3.422 -1.265 1.00 33.25 O ATOM 1190 CB ASN A 79 -17.763 -6.126 -2.078 1.00 54.25 C ATOM 1191 CG ASN A 79 -18.112 -7.498 -2.625 1.00 21.55 C ATOM 1192 OD1 ASN A 79 -18.960 -7.645 -3.485 1.00 44.22 O ATOM 1193 ND2 ASN A 79 -17.463 -8.519 -2.112 1.00 52.24 N ATOM 0 H ASN A 79 -16.350 -5.660 -4.167 1.00 62.41 H new ATOM 0 HA ASN A 79 -19.059 -4.957 -3.357 1.00 43.12 H new ATOM 0 HB2 ASN A 79 -16.714 -6.121 -1.782 1.00 54.25 H new ATOM 0 HB3 ASN A 79 -18.350 -5.946 -1.177 1.00 54.25 H new ATOM 0 HD21 ASN A 79 -17.665 -9.466 -2.434 1.00 52.24 H new ATOM 0 HD22 ASN A 79 -16.757 -8.365 -1.392 1.00 52.24 H new ATOM 1200 N ASN A 80 -16.910 -2.806 -3.133 1.00 41.01 N ATOM 1201 CA ASN A 80 -16.383 -1.534 -2.604 1.00 63.32 C ATOM 1202 C ASN A 80 -15.354 -1.809 -1.554 1.00 11.23 C ATOM 1203 O ASN A 80 -15.287 -1.153 -0.523 1.00 33.52 O ATOM 1204 CB ASN A 80 -17.477 -0.574 -2.086 1.00 40.14 C ATOM 1205 CG ASN A 80 -18.256 0.078 -3.202 1.00 53.31 C ATOM 1206 OD1 ASN A 80 -17.876 1.143 -3.693 1.00 23.41 O ATOM 1207 ND2 ASN A 80 -19.339 -0.535 -3.613 1.00 0.43 N ATOM 0 H ASN A 80 -16.670 -2.974 -4.110 1.00 41.01 H new ATOM 0 HA ASN A 80 -15.918 -1.011 -3.440 1.00 63.32 H new ATOM 0 HB2 ASN A 80 -18.163 -1.125 -1.443 1.00 40.14 H new ATOM 0 HB3 ASN A 80 -17.015 0.199 -1.471 1.00 40.14 H new ATOM 0 HD21 ASN A 80 -19.899 -0.132 -4.364 1.00 0.43 H new ATOM 0 HD22 ASN A 80 -19.622 -1.415 -3.182 1.00 0.43 H new ATOM 1214 N ALA A 81 -14.529 -2.765 -1.862 1.00 43.40 N ATOM 1215 CA ALA A 81 -13.459 -3.177 -1.020 1.00 73.24 C ATOM 1216 C ALA A 81 -12.201 -3.147 -1.847 1.00 63.22 C ATOM 1217 O ALA A 81 -12.272 -3.143 -3.085 1.00 4.11 O ATOM 1218 CB ALA A 81 -13.719 -4.577 -0.487 1.00 54.43 C ATOM 0 H ALA A 81 -14.589 -3.292 -2.733 1.00 43.40 H new ATOM 0 HA ALA A 81 -13.364 -2.513 -0.161 1.00 73.24 H new ATOM 0 HB1 ALA A 81 -12.893 -4.881 0.156 1.00 54.43 H new ATOM 0 HB2 ALA A 81 -14.646 -4.582 0.087 1.00 54.43 H new ATOM 0 HB3 ALA A 81 -13.805 -5.274 -1.321 1.00 54.43 H new ATOM 1224 N THR A 82 -11.080 -3.113 -1.209 1.00 53.31 N ATOM 1225 CA THR A 82 -9.832 -3.069 -1.891 1.00 22.24 C ATOM 1226 C THR A 82 -8.849 -3.984 -1.181 1.00 33.11 C ATOM 1227 O THR A 82 -8.733 -3.960 0.044 1.00 4.44 O ATOM 1228 CB THR A 82 -9.277 -1.630 -1.910 1.00 41.11 C ATOM 1229 OG1 THR A 82 -10.288 -0.740 -2.404 1.00 1.32 O ATOM 1230 CG2 THR A 82 -8.044 -1.535 -2.807 1.00 74.31 C ATOM 0 H THR A 82 -11.004 -3.115 -0.192 1.00 53.31 H new ATOM 0 HA THR A 82 -9.975 -3.399 -2.920 1.00 22.24 H new ATOM 0 HB THR A 82 -8.993 -1.353 -0.895 1.00 41.11 H new ATOM 0 HG1 THR A 82 -10.961 -0.590 -1.707 1.00 1.32 H new ATOM 0 HG21 THR A 82 -7.670 -0.511 -2.805 1.00 74.31 H new ATOM 0 HG22 THR A 82 -7.270 -2.205 -2.433 1.00 74.31 H new ATOM 0 HG23 THR A 82 -8.311 -1.821 -3.824 1.00 74.31 H new ATOM 1238 N ARG A 83 -8.161 -4.780 -1.921 1.00 44.00 N ATOM 1239 CA ARG A 83 -7.199 -5.658 -1.341 1.00 21.54 C ATOM 1240 C ARG A 83 -5.834 -5.090 -1.609 1.00 4.43 C ATOM 1241 O ARG A 83 -5.539 -4.686 -2.731 1.00 41.42 O ATOM 1242 CB ARG A 83 -7.354 -7.083 -1.864 1.00 41.01 C ATOM 1243 CG ARG A 83 -6.464 -8.092 -1.163 1.00 22.01 C ATOM 1244 CD ARG A 83 -6.838 -9.497 -1.554 1.00 1.25 C ATOM 1245 NE ARG A 83 -6.030 -10.510 -0.866 1.00 44.01 N ATOM 1246 CZ ARG A 83 -6.121 -11.826 -1.087 1.00 31.12 C ATOM 1247 NH1 ARG A 83 -7.097 -12.310 -1.861 1.00 40.24 N ATOM 1248 NH2 ARG A 83 -5.290 -12.665 -0.459 1.00 44.20 N ATOM 0 H ARG A 83 -8.245 -4.844 -2.936 1.00 44.00 H new ATOM 0 HA ARG A 83 -7.352 -5.728 -0.264 1.00 21.54 H new ATOM 0 HB2 ARG A 83 -8.394 -7.390 -1.752 1.00 41.01 H new ATOM 0 HB3 ARG A 83 -7.131 -7.095 -2.931 1.00 41.01 H new ATOM 0 HG2 ARG A 83 -5.421 -7.904 -1.419 1.00 22.01 H new ATOM 0 HG3 ARG A 83 -6.553 -7.974 -0.083 1.00 22.01 H new ATOM 0 HD2 ARG A 83 -7.891 -9.664 -1.329 1.00 1.25 H new ATOM 0 HD3 ARG A 83 -6.720 -9.614 -2.631 1.00 1.25 H new ATOM 0 HE ARG A 83 -5.354 -10.189 -0.173 1.00 44.01 H new ATOM 0 HH11 ARG A 83 -7.774 -11.676 -2.284 1.00 40.24 H new ATOM 0 HH12 ARG A 83 -7.165 -13.314 -2.028 1.00 40.24 H new ATOM 0 HH21 ARG A 83 -4.589 -12.301 0.186 1.00 44.20 H new ATOM 0 HH22 ARG A 83 -5.357 -13.669 -0.626 1.00 44.20 H new ATOM 1262 N ILE A 84 -5.025 -5.030 -0.595 1.00 4.21 N ATOM 1263 CA ILE A 84 -3.773 -4.346 -0.678 1.00 54.35 C ATOM 1264 C ILE A 84 -2.632 -5.368 -0.571 1.00 54.24 C ATOM 1265 O ILE A 84 -2.734 -6.374 0.155 1.00 41.22 O ATOM 1266 CB ILE A 84 -3.667 -3.272 0.476 1.00 55.43 C ATOM 1267 CG1 ILE A 84 -2.664 -2.176 0.153 1.00 74.31 C ATOM 1268 CG2 ILE A 84 -3.326 -3.897 1.811 1.00 45.31 C ATOM 1269 CD1 ILE A 84 -3.141 -1.247 -0.920 1.00 13.12 C ATOM 0 H ILE A 84 -5.215 -5.454 0.313 1.00 4.21 H new ATOM 0 HA ILE A 84 -3.700 -3.828 -1.634 1.00 54.35 H new ATOM 0 HB ILE A 84 -4.657 -2.822 0.549 1.00 55.43 H new ATOM 0 HG12 ILE A 84 -2.456 -1.603 1.057 1.00 74.31 H new ATOM 0 HG13 ILE A 84 -1.724 -2.631 -0.159 1.00 74.31 H new ATOM 0 HG21 ILE A 84 -3.264 -3.119 2.572 1.00 45.31 H new ATOM 0 HG22 ILE A 84 -4.101 -4.613 2.086 1.00 45.31 H new ATOM 0 HG23 ILE A 84 -2.367 -4.410 1.738 1.00 45.31 H new ATOM 0 HD11 ILE A 84 -2.383 -0.487 -1.106 1.00 13.12 H new ATOM 0 HD12 ILE A 84 -3.322 -1.811 -1.835 1.00 13.12 H new ATOM 0 HD13 ILE A 84 -4.066 -0.766 -0.601 1.00 13.12 H new ATOM 1281 N SER A 85 -1.633 -5.172 -1.362 1.00 22.32 N ATOM 1282 CA SER A 85 -0.455 -5.992 -1.353 1.00 55.42 C ATOM 1283 C SER A 85 0.771 -5.096 -1.204 1.00 25.10 C ATOM 1284 O SER A 85 0.862 -4.046 -1.857 1.00 44.23 O ATOM 1285 CB SER A 85 -0.399 -6.812 -2.640 1.00 74.40 C ATOM 1286 OG SER A 85 -1.602 -7.558 -2.786 1.00 3.11 O ATOM 0 H SER A 85 -1.605 -4.421 -2.052 1.00 22.32 H new ATOM 0 HA SER A 85 -0.477 -6.687 -0.513 1.00 55.42 H new ATOM 0 HB2 SER A 85 -0.262 -6.153 -3.497 1.00 74.40 H new ATOM 0 HB3 SER A 85 0.458 -7.486 -2.616 1.00 74.40 H new ATOM 0 HG SER A 85 -1.564 -8.082 -3.613 1.00 3.11 H new ATOM 1292 N ILE A 86 1.670 -5.474 -0.326 1.00 71.32 N ATOM 1293 CA ILE A 86 2.868 -4.705 -0.064 1.00 22.32 C ATOM 1294 C ILE A 86 4.087 -5.563 -0.462 1.00 44.11 C ATOM 1295 O ILE A 86 4.042 -6.791 -0.338 1.00 1.24 O ATOM 1296 CB ILE A 86 2.990 -4.309 1.444 1.00 13.11 C ATOM 1297 CG1 ILE A 86 1.630 -3.837 2.038 1.00 14.00 C ATOM 1298 CG2 ILE A 86 4.028 -3.191 1.601 1.00 2.24 C ATOM 1299 CD1 ILE A 86 1.101 -2.522 1.499 1.00 70.20 C ATOM 0 H ILE A 86 1.593 -6.326 0.230 1.00 71.32 H new ATOM 0 HA ILE A 86 2.823 -3.783 -0.644 1.00 22.32 H new ATOM 0 HB ILE A 86 3.303 -5.198 1.992 1.00 13.11 H new ATOM 0 HG12 ILE A 86 0.885 -4.611 1.853 1.00 14.00 H new ATOM 0 HG13 ILE A 86 1.737 -3.749 3.119 1.00 14.00 H new ATOM 0 HG21 ILE A 86 4.111 -2.917 2.653 1.00 2.24 H new ATOM 0 HG22 ILE A 86 4.995 -3.539 1.239 1.00 2.24 H new ATOM 0 HG23 ILE A 86 3.716 -2.321 1.023 1.00 2.24 H new ATOM 0 HD11 ILE A 86 0.151 -2.288 1.979 1.00 70.20 H new ATOM 0 HD12 ILE A 86 1.818 -1.728 1.708 1.00 70.20 H new ATOM 0 HD13 ILE A 86 0.953 -2.603 0.422 1.00 70.20 H new ATOM 1311 N LYS A 87 5.149 -4.925 -0.911 1.00 30.30 N ATOM 1312 CA LYS A 87 6.338 -5.605 -1.409 1.00 32.11 C ATOM 1313 C LYS A 87 7.496 -5.381 -0.432 1.00 50.22 C ATOM 1314 O LYS A 87 7.709 -4.269 0.063 1.00 60.41 O ATOM 1315 CB LYS A 87 6.656 -5.073 -2.830 1.00 75.42 C ATOM 1316 CG LYS A 87 7.831 -5.719 -3.598 1.00 24.14 C ATOM 1317 CD LYS A 87 9.186 -5.166 -3.178 1.00 11.03 C ATOM 1318 CE LYS A 87 10.332 -5.825 -3.939 1.00 11.45 C ATOM 1319 NZ LYS A 87 11.648 -5.327 -3.472 1.00 54.21 N ATOM 0 H LYS A 87 5.216 -3.908 -0.943 1.00 30.30 H new ATOM 0 HA LYS A 87 6.174 -6.680 -1.480 1.00 32.11 H new ATOM 0 HB2 LYS A 87 5.758 -5.185 -3.438 1.00 75.42 H new ATOM 0 HB3 LYS A 87 6.856 -4.005 -2.750 1.00 75.42 H new ATOM 0 HG2 LYS A 87 7.817 -6.797 -3.435 1.00 24.14 H new ATOM 0 HG3 LYS A 87 7.693 -5.557 -4.667 1.00 24.14 H new ATOM 0 HD2 LYS A 87 9.208 -4.090 -3.350 1.00 11.03 H new ATOM 0 HD3 LYS A 87 9.325 -5.320 -2.108 1.00 11.03 H new ATOM 0 HE2 LYS A 87 10.283 -6.906 -3.809 1.00 11.45 H new ATOM 0 HE3 LYS A 87 10.224 -5.627 -5.005 1.00 11.45 H new ATOM 0 HZ1 LYS A 87 12.407 -5.888 -3.909 1.00 54.21 H new ATOM 0 HZ2 LYS A 87 11.757 -4.328 -3.741 1.00 54.21 H new ATOM 0 HZ3 LYS A 87 11.705 -5.415 -2.437 1.00 54.21 H new ATOM 1333 N TYR A 88 8.220 -6.451 -0.155 1.00 25.40 N ATOM 1334 CA TYR A 88 9.244 -6.472 0.875 1.00 55.32 C ATOM 1335 C TYR A 88 10.636 -6.191 0.334 1.00 33.24 C ATOM 1336 O TYR A 88 10.921 -6.355 -0.864 1.00 12.51 O ATOM 1337 CB TYR A 88 9.253 -7.843 1.597 1.00 34.52 C ATOM 1338 CG TYR A 88 9.708 -9.028 0.750 1.00 43.51 C ATOM 1339 CD1 TYR A 88 8.857 -9.635 -0.165 1.00 62.23 C ATOM 1340 CD2 TYR A 88 10.997 -9.538 0.882 1.00 65.42 C ATOM 1341 CE1 TYR A 88 9.278 -10.713 -0.925 1.00 2.04 C ATOM 1342 CE2 TYR A 88 11.423 -10.612 0.126 1.00 4.21 C ATOM 1343 CZ TYR A 88 10.561 -11.197 -0.775 1.00 13.52 C ATOM 1344 OH TYR A 88 10.985 -12.263 -1.535 1.00 34.31 O ATOM 0 H TYR A 88 8.112 -7.340 -0.644 1.00 25.40 H new ATOM 0 HA TYR A 88 8.991 -5.674 1.573 1.00 55.32 H new ATOM 0 HB2 TYR A 88 9.903 -7.771 2.469 1.00 34.52 H new ATOM 0 HB3 TYR A 88 8.248 -8.047 1.965 1.00 34.52 H new ATOM 0 HD1 TYR A 88 7.851 -9.260 -0.285 1.00 62.23 H new ATOM 0 HD2 TYR A 88 11.676 -9.085 1.589 1.00 65.42 H new ATOM 0 HE1 TYR A 88 8.604 -11.173 -1.633 1.00 2.04 H new ATOM 0 HE2 TYR A 88 12.428 -10.992 0.241 1.00 4.21 H new ATOM 0 HH TYR A 88 11.914 -12.478 -1.307 1.00 34.31 H new ATOM 1354 N GLY A 89 11.472 -5.740 1.214 1.00 53.14 N ATOM 1355 CA GLY A 89 12.845 -5.518 0.910 1.00 74.40 C ATOM 1356 C GLY A 89 13.699 -6.246 1.898 1.00 73.10 C ATOM 1357 O GLY A 89 13.224 -7.197 2.518 1.00 53.05 O ATOM 0 H GLY A 89 11.215 -5.514 2.175 1.00 53.14 H new ATOM 0 HA2 GLY A 89 13.065 -5.863 -0.100 1.00 74.40 H new ATOM 0 HA3 GLY A 89 13.067 -4.451 0.938 1.00 74.40 H new ATOM 1361 N SER A 90 14.904 -5.766 2.109 1.00 0.54 N ATOM 1362 CA SER A 90 15.880 -6.403 2.989 1.00 22.22 C ATOM 1363 C SER A 90 15.371 -6.566 4.422 1.00 51.21 C ATOM 1364 O SER A 90 15.642 -7.559 5.083 1.00 21.32 O ATOM 1365 CB SER A 90 17.153 -5.577 2.975 1.00 64.32 C ATOM 1366 OG SER A 90 17.516 -5.280 1.639 1.00 24.35 O ATOM 0 H SER A 90 15.246 -4.910 1.672 1.00 0.54 H new ATOM 0 HA SER A 90 16.067 -7.409 2.615 1.00 22.22 H new ATOM 0 HB2 SER A 90 17.005 -4.654 3.535 1.00 64.32 H new ATOM 0 HB3 SER A 90 17.958 -6.123 3.468 1.00 64.32 H new ATOM 0 HG SER A 90 17.818 -4.350 1.581 1.00 24.35 H new ATOM 1372 N GLN A 91 14.624 -5.603 4.872 1.00 35.53 N ATOM 1373 CA GLN A 91 14.128 -5.603 6.227 1.00 33.00 C ATOM 1374 C GLN A 91 12.651 -5.998 6.283 1.00 14.42 C ATOM 1375 O GLN A 91 12.014 -5.917 7.328 1.00 14.42 O ATOM 1376 CB GLN A 91 14.361 -4.231 6.875 1.00 71.52 C ATOM 1377 CG GLN A 91 13.526 -3.066 6.324 1.00 34.23 C ATOM 1378 CD GLN A 91 13.693 -2.766 4.847 1.00 64.43 C ATOM 1379 OE1 GLN A 91 14.575 -2.032 4.453 1.00 12.13 O ATOM 1380 NE2 GLN A 91 12.791 -3.272 4.042 1.00 63.33 N ATOM 0 H GLN A 91 14.339 -4.796 4.318 1.00 35.53 H new ATOM 0 HA GLN A 91 14.682 -6.352 6.793 1.00 33.00 H new ATOM 0 HB2 GLN A 91 14.162 -4.319 7.943 1.00 71.52 H new ATOM 0 HB3 GLN A 91 15.415 -3.977 6.767 1.00 71.52 H new ATOM 0 HG2 GLN A 91 12.474 -3.278 6.514 1.00 34.23 H new ATOM 0 HG3 GLN A 91 13.777 -2.167 6.887 1.00 34.23 H new ATOM 0 HE21 GLN A 91 12.065 -3.886 4.411 1.00 63.33 H new ATOM 0 HE22 GLN A 91 12.815 -3.052 3.046 1.00 63.33 H new ATOM 1389 N GLY A 92 12.117 -6.428 5.155 1.00 54.10 N ATOM 1390 CA GLY A 92 10.715 -6.768 5.095 1.00 42.31 C ATOM 1391 C GLY A 92 9.829 -5.532 4.985 1.00 40.33 C ATOM 1392 O GLY A 92 10.289 -4.402 5.181 1.00 13.31 O ATOM 0 H GLY A 92 12.628 -6.548 4.280 1.00 54.10 H new ATOM 0 HA2 GLY A 92 10.537 -7.419 4.239 1.00 42.31 H new ATOM 0 HA3 GLY A 92 10.441 -7.332 5.987 1.00 42.31 H new ATOM 1396 N ASN A 93 8.598 -5.728 4.571 1.00 41.34 N ATOM 1397 CA ASN A 93 7.619 -4.640 4.512 1.00 5.40 C ATOM 1398 C ASN A 93 6.693 -4.668 5.709 1.00 1.34 C ATOM 1399 O ASN A 93 5.934 -3.741 5.915 1.00 4.45 O ATOM 1400 CB ASN A 93 6.772 -4.682 3.234 1.00 74.23 C ATOM 1401 CG ASN A 93 5.985 -5.974 3.079 1.00 73.14 C ATOM 1402 OD1 ASN A 93 6.450 -6.898 2.470 1.00 55.20 O ATOM 1403 ND2 ASN A 93 4.798 -6.044 3.634 1.00 63.15 N ATOM 0 H ASN A 93 8.239 -6.633 4.266 1.00 41.34 H new ATOM 0 HA ASN A 93 8.199 -3.717 4.515 1.00 5.40 H new ATOM 0 HB2 ASN A 93 6.079 -3.840 3.237 1.00 74.23 H new ATOM 0 HB3 ASN A 93 7.424 -4.555 2.370 1.00 74.23 H new ATOM 0 HD21 ASN A 93 4.247 -6.899 3.553 1.00 63.15 H new ATOM 0 HD22 ASN A 93 4.426 -5.244 4.146 1.00 63.15 H new ATOM 1410 N SER A 94 6.773 -5.735 6.477 1.00 60.43 N ATOM 1411 CA SER A 94 5.836 -6.067 7.550 1.00 52.33 C ATOM 1412 C SER A 94 5.468 -4.874 8.491 1.00 73.51 C ATOM 1413 O SER A 94 4.277 -4.547 8.649 1.00 45.54 O ATOM 1414 CB SER A 94 6.438 -7.222 8.323 1.00 40.22 C ATOM 1415 OG SER A 94 6.949 -8.190 7.401 1.00 14.02 O ATOM 0 H SER A 94 7.517 -6.425 6.374 1.00 60.43 H new ATOM 0 HA SER A 94 4.881 -6.338 7.099 1.00 52.33 H new ATOM 0 HB2 SER A 94 7.237 -6.864 8.972 1.00 40.22 H new ATOM 0 HB3 SER A 94 5.684 -7.677 8.966 1.00 40.22 H new ATOM 0 HG SER A 94 6.415 -8.173 6.580 1.00 14.02 H new ATOM 1421 N ILE A 95 6.460 -4.209 9.067 1.00 44.42 N ATOM 1422 CA ILE A 95 6.186 -3.100 9.987 1.00 12.25 C ATOM 1423 C ILE A 95 5.650 -1.872 9.217 1.00 25.30 C ATOM 1424 O ILE A 95 4.760 -1.165 9.703 1.00 24.11 O ATOM 1425 CB ILE A 95 7.418 -2.731 10.917 1.00 25.55 C ATOM 1426 CG1 ILE A 95 7.725 -3.844 11.959 1.00 15.00 C ATOM 1427 CG2 ILE A 95 7.212 -1.400 11.639 1.00 2.32 C ATOM 1428 CD1 ILE A 95 8.228 -5.159 11.395 1.00 74.03 C ATOM 0 H ILE A 95 7.449 -4.409 8.921 1.00 44.42 H new ATOM 0 HA ILE A 95 5.407 -3.442 10.669 1.00 12.25 H new ATOM 0 HB ILE A 95 8.274 -2.638 10.249 1.00 25.55 H new ATOM 0 HG12 ILE A 95 8.468 -3.464 12.660 1.00 15.00 H new ATOM 0 HG13 ILE A 95 6.818 -4.039 12.531 1.00 15.00 H new ATOM 0 HG21 ILE A 95 8.079 -1.187 12.264 1.00 2.32 H new ATOM 0 HG22 ILE A 95 7.089 -0.603 10.905 1.00 2.32 H new ATOM 0 HG23 ILE A 95 6.320 -1.459 12.263 1.00 2.32 H new ATOM 0 HD11 ILE A 95 8.409 -5.859 12.210 1.00 74.03 H new ATOM 0 HD12 ILE A 95 7.481 -5.574 10.719 1.00 74.03 H new ATOM 0 HD13 ILE A 95 9.157 -4.990 10.850 1.00 74.03 H new ATOM 1440 N ARG A 96 6.153 -1.678 7.989 1.00 13.25 N ATOM 1441 CA ARG A 96 5.681 -0.600 7.106 1.00 61.14 C ATOM 1442 C ARG A 96 4.194 -0.760 6.871 1.00 62.53 C ATOM 1443 O ARG A 96 3.434 0.172 7.027 1.00 2.02 O ATOM 1444 CB ARG A 96 6.380 -0.649 5.735 1.00 32.02 C ATOM 1445 CG ARG A 96 7.862 -0.354 5.734 1.00 53.35 C ATOM 1446 CD ARG A 96 8.434 -0.514 4.328 1.00 34.24 C ATOM 1447 NE ARG A 96 9.809 -0.037 4.230 1.00 40.04 N ATOM 1448 CZ ARG A 96 10.743 -0.483 3.374 1.00 0.00 C ATOM 1449 NH1 ARG A 96 10.478 -1.493 2.548 1.00 72.02 N ATOM 1450 NH2 ARG A 96 11.933 0.088 3.341 1.00 62.20 N ATOM 0 H ARG A 96 6.889 -2.256 7.583 1.00 13.25 H new ATOM 0 HA ARG A 96 5.907 0.349 7.592 1.00 61.14 H new ATOM 0 HB2 ARG A 96 6.227 -1.640 5.307 1.00 32.02 H new ATOM 0 HB3 ARG A 96 5.888 0.064 5.073 1.00 32.02 H new ATOM 0 HG2 ARG A 96 8.038 0.660 6.092 1.00 53.35 H new ATOM 0 HG3 ARG A 96 8.374 -1.028 6.421 1.00 53.35 H new ATOM 0 HD2 ARG A 96 8.395 -1.565 4.040 1.00 34.24 H new ATOM 0 HD3 ARG A 96 7.811 0.033 3.621 1.00 34.24 H new ATOM 0 HE ARG A 96 10.087 0.705 4.872 1.00 40.04 H new ATOM 0 HH11 ARG A 96 9.559 -1.935 2.562 1.00 72.02 H new ATOM 0 HH12 ARG A 96 11.194 -1.824 1.902 1.00 72.02 H new ATOM 0 HH21 ARG A 96 12.142 0.867 3.965 1.00 62.20 H new ATOM 0 HH22 ARG A 96 12.643 -0.250 2.691 1.00 62.20 H new ATOM 1464 N SER A 97 3.802 -1.977 6.524 1.00 12.31 N ATOM 1465 CA SER A 97 2.426 -2.319 6.251 1.00 42.20 C ATOM 1466 C SER A 97 1.538 -2.058 7.462 1.00 43.33 C ATOM 1467 O SER A 97 0.449 -1.523 7.322 1.00 50.41 O ATOM 1468 CB SER A 97 2.367 -3.779 5.863 1.00 60.22 C ATOM 1469 OG SER A 97 3.292 -4.029 4.820 1.00 35.43 O ATOM 0 H SER A 97 4.446 -2.762 6.424 1.00 12.31 H new ATOM 0 HA SER A 97 2.055 -1.695 5.438 1.00 42.20 H new ATOM 0 HB2 SER A 97 2.597 -4.405 6.725 1.00 60.22 H new ATOM 0 HB3 SER A 97 1.359 -4.040 5.540 1.00 60.22 H new ATOM 0 HG SER A 97 4.203 -3.874 5.147 1.00 35.43 H new ATOM 1475 N SER A 98 2.044 -2.396 8.635 1.00 42.42 N ATOM 1476 CA SER A 98 1.309 -2.231 9.872 1.00 44.32 C ATOM 1477 C SER A 98 0.937 -0.748 10.088 1.00 45.12 C ATOM 1478 O SER A 98 -0.224 -0.416 10.339 1.00 40.32 O ATOM 1479 CB SER A 98 2.154 -2.770 11.032 1.00 35.44 C ATOM 1480 OG SER A 98 2.529 -4.131 10.797 1.00 71.24 O ATOM 0 H SER A 98 2.976 -2.792 8.754 1.00 42.42 H new ATOM 0 HA SER A 98 0.377 -2.795 9.824 1.00 44.32 H new ATOM 0 HB2 SER A 98 3.047 -2.157 11.153 1.00 35.44 H new ATOM 0 HB3 SER A 98 1.591 -2.699 11.962 1.00 35.44 H new ATOM 0 HG SER A 98 3.209 -4.166 10.093 1.00 71.24 H new ATOM 1486 N ALA A 99 1.919 0.129 9.943 1.00 25.41 N ATOM 1487 CA ALA A 99 1.692 1.557 10.094 1.00 42.51 C ATOM 1488 C ALA A 99 0.869 2.113 8.935 1.00 31.35 C ATOM 1489 O ALA A 99 -0.049 2.909 9.144 1.00 41.41 O ATOM 1490 CB ALA A 99 3.012 2.303 10.229 1.00 34.24 C ATOM 0 H ALA A 99 2.882 -0.124 9.721 1.00 25.41 H new ATOM 0 HA ALA A 99 1.120 1.708 11.009 1.00 42.51 H new ATOM 0 HB1 ALA A 99 2.817 3.370 10.341 1.00 34.24 H new ATOM 0 HB2 ALA A 99 3.548 1.938 11.105 1.00 34.24 H new ATOM 0 HB3 ALA A 99 3.617 2.136 9.338 1.00 34.24 H new ATOM 1496 N LEU A 100 1.183 1.650 7.724 1.00 34.04 N ATOM 1497 CA LEU A 100 0.545 2.106 6.499 1.00 73.53 C ATOM 1498 C LEU A 100 -0.951 1.903 6.571 1.00 45.44 C ATOM 1499 O LEU A 100 -1.716 2.814 6.282 1.00 5.24 O ATOM 1500 CB LEU A 100 1.098 1.328 5.305 1.00 31.50 C ATOM 1501 CG LEU A 100 0.777 1.885 3.924 1.00 54.41 C ATOM 1502 CD1 LEU A 100 1.391 3.265 3.746 1.00 25.32 C ATOM 1503 CD2 LEU A 100 1.268 0.939 2.852 1.00 32.00 C ATOM 0 H LEU A 100 1.898 0.939 7.570 1.00 34.04 H new ATOM 0 HA LEU A 100 0.755 3.169 6.378 1.00 73.53 H new ATOM 0 HB2 LEU A 100 2.182 1.272 5.407 1.00 31.50 H new ATOM 0 HB3 LEU A 100 0.719 0.307 5.358 1.00 31.50 H new ATOM 0 HG LEU A 100 -0.305 1.982 3.831 1.00 54.41 H new ATOM 0 HD11 LEU A 100 1.150 3.645 2.753 1.00 25.32 H new ATOM 0 HD12 LEU A 100 0.990 3.942 4.501 1.00 25.32 H new ATOM 0 HD13 LEU A 100 2.473 3.199 3.856 1.00 25.32 H new ATOM 0 HD21 LEU A 100 1.032 1.349 1.870 1.00 32.00 H new ATOM 0 HD22 LEU A 100 2.347 0.814 2.944 1.00 32.00 H new ATOM 0 HD23 LEU A 100 0.779 -0.028 2.969 1.00 32.00 H new ATOM 1515 N ILE A 101 -1.351 0.724 7.020 1.00 21.54 N ATOM 1516 CA ILE A 101 -2.768 0.374 7.132 1.00 14.13 C ATOM 1517 C ILE A 101 -3.493 1.347 8.061 1.00 72.35 C ATOM 1518 O ILE A 101 -4.553 1.857 7.701 1.00 13.13 O ATOM 1519 CB ILE A 101 -2.974 -1.100 7.631 1.00 70.44 C ATOM 1520 CG1 ILE A 101 -2.450 -2.124 6.600 1.00 52.51 C ATOM 1521 CG2 ILE A 101 -4.434 -1.388 7.987 1.00 23.40 C ATOM 1522 CD1 ILE A 101 -3.121 -2.063 5.239 1.00 35.43 C ATOM 0 H ILE A 101 -0.713 -0.015 7.316 1.00 21.54 H new ATOM 0 HA ILE A 101 -3.195 0.448 6.132 1.00 14.13 H new ATOM 0 HB ILE A 101 -2.388 -1.207 8.544 1.00 70.44 H new ATOM 0 HG12 ILE A 101 -1.379 -1.969 6.468 1.00 52.51 H new ATOM 0 HG13 ILE A 101 -2.579 -3.127 7.008 1.00 52.51 H new ATOM 0 HG21 ILE A 101 -4.529 -2.419 8.327 1.00 23.40 H new ATOM 0 HG22 ILE A 101 -4.755 -0.713 8.781 1.00 23.40 H new ATOM 0 HG23 ILE A 101 -5.060 -1.237 7.107 1.00 23.40 H new ATOM 0 HD11 ILE A 101 -2.686 -2.819 4.585 1.00 35.43 H new ATOM 0 HD12 ILE A 101 -4.189 -2.251 5.351 1.00 35.43 H new ATOM 0 HD13 ILE A 101 -2.970 -1.075 4.803 1.00 35.43 H new ATOM 1534 N GLY A 102 -2.870 1.661 9.201 1.00 64.15 N ATOM 1535 CA GLY A 102 -3.470 2.570 10.172 1.00 1.33 C ATOM 1536 C GLY A 102 -3.746 3.941 9.594 1.00 61.24 C ATOM 1537 O GLY A 102 -4.807 4.540 9.825 1.00 30.25 O ATOM 0 H GLY A 102 -1.955 1.299 9.470 1.00 64.15 H new ATOM 0 HA2 GLY A 102 -4.402 2.140 10.539 1.00 1.33 H new ATOM 0 HA3 GLY A 102 -2.805 2.669 11.030 1.00 1.33 H new ATOM 1541 N ILE A 103 -2.812 4.414 8.816 1.00 44.10 N ATOM 1542 CA ILE A 103 -2.914 5.705 8.176 1.00 5.44 C ATOM 1543 C ILE A 103 -4.006 5.668 7.110 1.00 73.13 C ATOM 1544 O ILE A 103 -4.867 6.558 7.051 1.00 1.24 O ATOM 1545 CB ILE A 103 -1.561 6.079 7.533 1.00 14.13 C ATOM 1546 CG1 ILE A 103 -0.472 6.058 8.606 1.00 21.12 C ATOM 1547 CG2 ILE A 103 -1.637 7.458 6.873 1.00 54.54 C ATOM 1548 CD1 ILE A 103 0.927 6.083 8.060 1.00 41.34 C ATOM 0 H ILE A 103 -1.949 3.913 8.604 1.00 44.10 H new ATOM 0 HA ILE A 103 -3.171 6.456 8.923 1.00 5.44 H new ATOM 0 HB ILE A 103 -1.320 5.351 6.758 1.00 14.13 H new ATOM 0 HG12 ILE A 103 -0.609 6.916 9.264 1.00 21.12 H new ATOM 0 HG13 ILE A 103 -0.596 5.164 9.217 1.00 21.12 H new ATOM 0 HG21 ILE A 103 -0.673 7.701 6.426 1.00 54.54 H new ATOM 0 HG22 ILE A 103 -2.404 7.449 6.098 1.00 54.54 H new ATOM 0 HG23 ILE A 103 -1.889 8.207 7.624 1.00 54.54 H new ATOM 0 HD11 ILE A 103 1.640 6.066 8.885 1.00 41.34 H new ATOM 0 HD12 ILE A 103 1.085 5.211 7.425 1.00 41.34 H new ATOM 0 HD13 ILE A 103 1.072 6.990 7.473 1.00 41.34 H new ATOM 1560 N ILE A 104 -3.994 4.608 6.311 1.00 30.42 N ATOM 1561 CA ILE A 104 -4.946 4.444 5.229 1.00 63.42 C ATOM 1562 C ILE A 104 -6.382 4.377 5.758 1.00 41.21 C ATOM 1563 O ILE A 104 -7.244 5.147 5.315 1.00 23.12 O ATOM 1564 CB ILE A 104 -4.638 3.152 4.410 1.00 3.33 C ATOM 1565 CG1 ILE A 104 -3.286 3.266 3.694 1.00 22.10 C ATOM 1566 CG2 ILE A 104 -5.742 2.862 3.406 1.00 15.51 C ATOM 1567 CD1 ILE A 104 -2.837 1.973 3.034 1.00 2.10 C ATOM 0 H ILE A 104 -3.325 3.843 6.397 1.00 30.42 H new ATOM 0 HA ILE A 104 -4.850 5.314 4.579 1.00 63.42 H new ATOM 0 HB ILE A 104 -4.589 2.321 5.114 1.00 3.33 H new ATOM 0 HG12 ILE A 104 -3.350 4.048 2.937 1.00 22.10 H new ATOM 0 HG13 ILE A 104 -2.529 3.579 4.413 1.00 22.10 H new ATOM 0 HG21 ILE A 104 -5.500 1.956 2.850 1.00 15.51 H new ATOM 0 HG22 ILE A 104 -6.686 2.723 3.933 1.00 15.51 H new ATOM 0 HG23 ILE A 104 -5.833 3.699 2.714 1.00 15.51 H new ATOM 0 HD11 ILE A 104 -1.874 2.128 2.547 1.00 2.10 H new ATOM 0 HD12 ILE A 104 -2.740 1.193 3.790 1.00 2.10 H new ATOM 0 HD13 ILE A 104 -3.574 1.669 2.291 1.00 2.10 H new ATOM 1579 N GLU A 105 -6.623 3.523 6.745 1.00 71.23 N ATOM 1580 CA GLU A 105 -7.964 3.365 7.266 1.00 62.12 C ATOM 1581 C GLU A 105 -8.461 4.615 7.970 1.00 3.23 C ATOM 1582 O GLU A 105 -9.586 5.060 7.727 1.00 34.12 O ATOM 1583 CB GLU A 105 -8.130 2.128 8.155 1.00 0.43 C ATOM 1584 CG GLU A 105 -7.177 2.034 9.332 1.00 63.41 C ATOM 1585 CD GLU A 105 -7.639 1.021 10.340 1.00 1.32 C ATOM 1586 OE1 GLU A 105 -8.121 -0.049 9.940 1.00 42.25 O ATOM 1587 OE2 GLU A 105 -7.641 1.340 11.547 1.00 34.43 O ATOM 0 H GLU A 105 -5.915 2.940 7.192 1.00 71.23 H new ATOM 0 HA GLU A 105 -8.593 3.205 6.390 1.00 62.12 H new ATOM 0 HB2 GLU A 105 -9.151 2.110 8.535 1.00 0.43 H new ATOM 0 HB3 GLU A 105 -8.004 1.239 7.537 1.00 0.43 H new ATOM 0 HG2 GLU A 105 -6.183 1.765 8.975 1.00 63.41 H new ATOM 0 HG3 GLU A 105 -7.091 3.010 9.810 1.00 63.41 H new ATOM 1594 N GLY A 106 -7.615 5.201 8.802 1.00 51.53 N ATOM 1595 CA GLY A 106 -8.004 6.364 9.563 1.00 14.23 C ATOM 1596 C GLY A 106 -8.302 7.563 8.695 1.00 30.30 C ATOM 1597 O GLY A 106 -9.225 8.319 8.986 1.00 53.35 O ATOM 0 H GLY A 106 -6.658 4.887 8.963 1.00 51.53 H new ATOM 0 HA2 GLY A 106 -8.886 6.124 10.158 1.00 14.23 H new ATOM 0 HA3 GLY A 106 -7.207 6.617 10.262 1.00 14.23 H new ATOM 1601 N ASN A 107 -7.555 7.712 7.609 1.00 61.13 N ATOM 1602 CA ASN A 107 -7.767 8.825 6.677 1.00 74.33 C ATOM 1603 C ASN A 107 -9.134 8.705 6.026 1.00 34.34 C ATOM 1604 O ASN A 107 -9.870 9.685 5.904 1.00 5.20 O ATOM 1605 CB ASN A 107 -6.673 8.852 5.595 1.00 35.32 C ATOM 1606 CG ASN A 107 -6.865 9.966 4.568 1.00 23.12 C ATOM 1607 OD1 ASN A 107 -6.402 11.081 4.754 1.00 43.03 O ATOM 1608 ND2 ASN A 107 -7.514 9.664 3.463 1.00 21.00 N ATOM 0 H ASN A 107 -6.798 7.081 7.347 1.00 61.13 H new ATOM 0 HA ASN A 107 -7.716 9.756 7.241 1.00 74.33 H new ATOM 0 HB2 ASN A 107 -5.701 8.973 6.074 1.00 35.32 H new ATOM 0 HB3 ASN A 107 -6.658 7.891 5.080 1.00 35.32 H new ATOM 0 HD21 ASN A 107 -7.640 10.369 2.737 1.00 21.00 H new ATOM 0 HD22 ASN A 107 -7.891 8.725 3.333 1.00 21.00 H new ATOM 1615 N ILE A 108 -9.486 7.486 5.654 1.00 54.15 N ATOM 1616 CA ILE A 108 -10.772 7.213 5.036 1.00 44.14 C ATOM 1617 C ILE A 108 -11.901 7.480 6.036 1.00 22.50 C ATOM 1618 O ILE A 108 -12.927 8.058 5.684 1.00 10.13 O ATOM 1619 CB ILE A 108 -10.840 5.753 4.510 1.00 60.40 C ATOM 1620 CG1 ILE A 108 -9.739 5.530 3.463 1.00 62.51 C ATOM 1621 CG2 ILE A 108 -12.217 5.455 3.911 1.00 60.33 C ATOM 1622 CD1 ILE A 108 -9.592 4.098 3.012 1.00 25.54 C ATOM 0 H ILE A 108 -8.894 6.664 5.771 1.00 54.15 H new ATOM 0 HA ILE A 108 -10.892 7.880 4.182 1.00 44.14 H new ATOM 0 HB ILE A 108 -10.682 5.071 5.345 1.00 60.40 H new ATOM 0 HG12 ILE A 108 -9.949 6.153 2.593 1.00 62.51 H new ATOM 0 HG13 ILE A 108 -8.788 5.868 3.875 1.00 62.51 H new ATOM 0 HG21 ILE A 108 -12.242 4.427 3.549 1.00 60.33 H new ATOM 0 HG22 ILE A 108 -12.983 5.589 4.675 1.00 60.33 H new ATOM 0 HG23 ILE A 108 -12.408 6.136 3.082 1.00 60.33 H new ATOM 0 HD11 ILE A 108 -8.793 4.029 2.273 1.00 25.54 H new ATOM 0 HD12 ILE A 108 -9.349 3.470 3.869 1.00 25.54 H new ATOM 0 HD13 ILE A 108 -10.528 3.759 2.567 1.00 25.54 H new ATOM 1634 N ARG A 109 -11.684 7.087 7.290 1.00 13.42 N ATOM 1635 CA ARG A 109 -12.673 7.318 8.336 1.00 25.03 C ATOM 1636 C ARG A 109 -12.858 8.804 8.591 1.00 50.22 C ATOM 1637 O ARG A 109 -13.974 9.263 8.787 1.00 43.30 O ATOM 1638 CB ARG A 109 -12.301 6.605 9.638 1.00 22.43 C ATOM 1639 CG ARG A 109 -12.077 5.126 9.459 1.00 14.41 C ATOM 1640 CD ARG A 109 -11.988 4.382 10.776 1.00 15.24 C ATOM 1641 NE ARG A 109 -11.828 2.942 10.545 1.00 0.43 N ATOM 1642 CZ ARG A 109 -10.772 2.215 10.934 1.00 30.44 C ATOM 1643 NH1 ARG A 109 -9.834 2.748 11.707 1.00 61.22 N ATOM 1644 NH2 ARG A 109 -10.671 0.939 10.561 1.00 11.11 N ATOM 0 H ARG A 109 -10.838 6.611 7.603 1.00 13.42 H new ATOM 0 HA ARG A 109 -13.615 6.901 7.981 1.00 25.03 H new ATOM 0 HB2 ARG A 109 -11.397 7.056 10.047 1.00 22.43 H new ATOM 0 HB3 ARG A 109 -13.094 6.760 10.370 1.00 22.43 H new ATOM 0 HG2 ARG A 109 -12.891 4.709 8.866 1.00 14.41 H new ATOM 0 HG3 ARG A 109 -11.158 4.968 8.895 1.00 14.41 H new ATOM 0 HD2 ARG A 109 -11.146 4.759 11.357 1.00 15.24 H new ATOM 0 HD3 ARG A 109 -12.887 4.564 11.364 1.00 15.24 H new ATOM 0 HE ARG A 109 -12.577 2.458 10.051 1.00 0.43 H new ATOM 0 HH11 ARG A 109 -9.914 3.719 12.010 1.00 61.22 H new ATOM 0 HH12 ARG A 109 -9.034 2.187 11.998 1.00 61.22 H new ATOM 0 HH21 ARG A 109 -11.397 0.518 9.981 1.00 11.11 H new ATOM 0 HH22 ARG A 109 -9.868 0.383 10.856 1.00 11.11 H new ATOM 1658 N TYR A 110 -11.762 9.555 8.558 1.00 4.12 N ATOM 1659 CA TYR A 110 -11.828 10.985 8.783 1.00 22.34 C ATOM 1660 C TYR A 110 -12.581 11.664 7.644 1.00 72.40 C ATOM 1661 O TYR A 110 -13.344 12.583 7.872 1.00 51.24 O ATOM 1662 CB TYR A 110 -10.438 11.618 8.973 1.00 35.32 C ATOM 1663 CG TYR A 110 -10.523 13.044 9.495 1.00 24.22 C ATOM 1664 CD1 TYR A 110 -10.617 14.132 8.631 1.00 45.11 C ATOM 1665 CD2 TYR A 110 -10.550 13.291 10.861 1.00 51.25 C ATOM 1666 CE1 TYR A 110 -10.741 15.418 9.117 1.00 70.45 C ATOM 1667 CE2 TYR A 110 -10.665 14.574 11.352 1.00 4.25 C ATOM 1668 CZ TYR A 110 -10.765 15.633 10.478 1.00 20.33 C ATOM 1669 OH TYR A 110 -10.896 16.904 10.965 1.00 53.12 O ATOM 0 H TYR A 110 -10.825 9.195 8.378 1.00 4.12 H new ATOM 0 HA TYR A 110 -12.372 11.141 9.715 1.00 22.34 H new ATOM 0 HB2 TYR A 110 -9.857 11.012 9.668 1.00 35.32 H new ATOM 0 HB3 TYR A 110 -9.905 11.612 8.022 1.00 35.32 H new ATOM 0 HD1 TYR A 110 -10.593 13.967 7.564 1.00 45.11 H new ATOM 0 HD2 TYR A 110 -10.480 12.463 11.551 1.00 51.25 H new ATOM 0 HE1 TYR A 110 -10.819 16.251 8.434 1.00 70.45 H new ATOM 0 HE2 TYR A 110 -10.677 14.748 12.418 1.00 4.25 H new ATOM 0 HH TYR A 110 -10.896 16.881 11.945 1.00 53.12 H new ATOM 1679 N ALA A 111 -12.369 11.182 6.425 1.00 71.22 N ATOM 1680 CA ALA A 111 -13.041 11.724 5.236 1.00 22.14 C ATOM 1681 C ALA A 111 -14.569 11.552 5.315 1.00 64.14 C ATOM 1682 O ALA A 111 -15.317 12.272 4.664 1.00 60.23 O ATOM 1683 CB ALA A 111 -12.494 11.067 3.975 1.00 55.14 C ATOM 0 H ALA A 111 -11.732 10.410 6.227 1.00 71.22 H new ATOM 0 HA ALA A 111 -12.835 12.794 5.198 1.00 22.14 H new ATOM 0 HB1 ALA A 111 -13.001 11.478 3.102 1.00 55.14 H new ATOM 0 HB2 ALA A 111 -11.424 11.261 3.899 1.00 55.14 H new ATOM 0 HB3 ALA A 111 -12.665 9.992 4.021 1.00 55.14 H new ATOM 1689 N ASN A 112 -15.008 10.573 6.092 1.00 12.02 N ATOM 1690 CA ASN A 112 -16.436 10.321 6.298 1.00 34.41 C ATOM 1691 C ASN A 112 -16.992 11.361 7.296 1.00 71.11 C ATOM 1692 O ASN A 112 -18.191 11.656 7.315 1.00 0.55 O ATOM 1693 CB ASN A 112 -16.635 8.879 6.840 1.00 31.52 C ATOM 1694 CG ASN A 112 -18.083 8.321 6.797 1.00 35.34 C ATOM 1695 OD1 ASN A 112 -18.272 7.120 6.662 1.00 21.22 O ATOM 1696 ND2 ASN A 112 -19.094 9.152 6.918 1.00 64.22 N ATOM 0 H ASN A 112 -14.394 9.933 6.596 1.00 12.02 H new ATOM 0 HA ASN A 112 -16.974 10.413 5.354 1.00 34.41 H new ATOM 0 HB2 ASN A 112 -15.993 8.208 6.270 1.00 31.52 H new ATOM 0 HB3 ASN A 112 -16.288 8.851 7.873 1.00 31.52 H new ATOM 0 HD21 ASN A 112 -20.050 8.798 6.900 1.00 64.22 H new ATOM 0 HD22 ASN A 112 -18.922 10.151 7.030 1.00 64.22 H new