USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 755 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 43 TYR OH : rot 73:sc= 0.17 USER MOD Set 1.2: A 65 GLN : amide:sc= -3.36 K(o=-3.2,f=-1.1) USER MOD Set 2.1: A 10 TYR OH : rot 180:sc=-0.00965 USER MOD Set 2.2: A 14 GLN : amide:sc= -0.311 K(o=-1.7,f=0.82) USER MOD Set 2.3: A 45 HIS : no HD1:sc= -1.39 K(o=-1.7,f=0.82) USER MOD Single : A 1 GLU N :NH3+ -170:sc= 0.852 (180deg=0.35) USER MOD Single : A 8 THR OG1 : rot -179:sc= -1.68! USER MOD Single : A 16 HIS : no HD1:sc= -1.61 K(o=-1.6,f=0.023) USER MOD Single : A 18 LYS NZ :NH3+ 169:sc=-0.00764 (180deg=-0.129) USER MOD Single : A 19 HIS : no HD1:sc= -0.347 X(o=-0.35,f=0.06) USER MOD Single : A 21 ASN : amide:sc= -1.17! K(o=-1.2!,f=-0.09) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 90:sc= 1.93 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 150:sc= -0.259 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 148:sc= -0.892 (180deg=-2.49!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 72:sc= 0.912 USER MOD Single : A 63 TYR OH : rot -144:sc= 0.174 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0492 USER MOD Single : A 76 GLN : amide:sc= -2.78! C(o=-2.8!,f=-9.3!) USER MOD Single : A 77 LYS NZ :NH3+ -177:sc= 0.0226 (180deg=-0.124) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.09 K(o=-1.1,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 131:sc= 0.666 (180deg=-1.61) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.453 X(o=-0.45,f=-0.19) USER MOD Single : A 96 HIS : no HD1:sc= -0.06 X(o=-0.06,f=-0.06) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 98 HIS : no HE2:sc= 0.236 K(o=0.24,f=-1.4) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.976 1.638 -2.452 1.00 54.35 N ATOM 2 CA GLU A 1 3.766 0.403 -2.163 1.00 74.33 C ATOM 3 C GLU A 1 3.362 -0.767 -3.075 1.00 35.04 C ATOM 4 O GLU A 1 3.863 -1.887 -2.933 1.00 22.12 O ATOM 5 CB GLU A 1 3.589 0.003 -0.689 1.00 53.25 C ATOM 6 CG GLU A 1 3.977 1.103 0.294 1.00 2.44 C ATOM 7 CD GLU A 1 3.812 0.685 1.746 1.00 73.32 C ATOM 8 OE1 GLU A 1 4.700 -0.013 2.275 1.00 62.44 O ATOM 9 OE2 GLU A 1 2.804 1.066 2.375 1.00 14.30 O ATOM 0 H1 GLU A 1 3.390 2.443 -1.940 1.00 54.35 H new ATOM 0 H2 GLU A 1 2.995 1.831 -3.474 1.00 54.35 H new ATOM 0 H3 GLU A 1 1.992 1.501 -2.144 1.00 54.35 H new ATOM 0 HA GLU A 1 4.814 0.628 -2.362 1.00 74.33 H new ATOM 0 HB2 GLU A 1 2.549 -0.274 -0.519 1.00 53.25 H new ATOM 0 HB3 GLU A 1 4.192 -0.882 -0.487 1.00 53.25 H new ATOM 0 HG2 GLU A 1 5.014 1.390 0.120 1.00 2.44 H new ATOM 0 HG3 GLU A 1 3.366 1.985 0.104 1.00 2.44 H new ATOM 18 N ASP A 2 2.466 -0.494 -4.012 1.00 54.25 N ATOM 19 CA ASP A 2 1.979 -1.495 -4.965 1.00 4.12 C ATOM 20 C ASP A 2 2.651 -1.304 -6.337 1.00 23.15 C ATOM 21 O ASP A 2 3.085 -0.201 -6.668 1.00 23.44 O ATOM 22 CB ASP A 2 0.458 -1.359 -5.111 1.00 54.43 C ATOM 23 CG ASP A 2 -0.247 -1.332 -3.769 1.00 2.34 C ATOM 24 OD1 ASP A 2 -0.281 -0.256 -3.132 1.00 54.33 O ATOM 25 OD2 ASP A 2 -0.758 -2.386 -3.336 1.00 42.32 O ATOM 0 H ASP A 2 2.052 0.429 -4.138 1.00 54.25 H new ATOM 0 HA ASP A 2 2.226 -2.489 -4.592 1.00 4.12 H new ATOM 0 HB2 ASP A 2 0.228 -0.445 -5.659 1.00 54.43 H new ATOM 0 HB3 ASP A 2 0.076 -2.190 -5.703 1.00 54.43 H new ATOM 30 N PRO A 3 2.741 -2.367 -7.165 1.00 23.45 N ATOM 31 CA PRO A 3 3.339 -2.279 -8.517 1.00 0.21 C ATOM 32 C PRO A 3 2.663 -1.217 -9.417 1.00 31.52 C ATOM 33 O PRO A 3 3.181 -0.870 -10.480 1.00 14.32 O ATOM 34 CB PRO A 3 3.143 -3.694 -9.098 1.00 73.52 C ATOM 35 CG PRO A 3 2.117 -4.341 -8.223 1.00 53.41 C ATOM 36 CD PRO A 3 2.294 -3.736 -6.858 1.00 52.03 C ATOM 0 HA PRO A 3 4.382 -1.966 -8.468 1.00 0.21 H new ATOM 0 HB2 PRO A 3 2.806 -3.651 -10.134 1.00 73.52 H new ATOM 0 HB3 PRO A 3 4.077 -4.255 -9.090 1.00 73.52 H new ATOM 0 HG2 PRO A 3 1.111 -4.160 -8.602 1.00 53.41 H new ATOM 0 HG3 PRO A 3 2.257 -5.422 -8.192 1.00 53.41 H new ATOM 0 HD2 PRO A 3 1.364 -3.740 -6.290 1.00 52.03 H new ATOM 0 HD3 PRO A 3 3.031 -4.279 -6.267 1.00 52.03 H new ATOM 44 N GLU A 4 1.511 -0.709 -8.978 1.00 52.51 N ATOM 45 CA GLU A 4 0.791 0.350 -9.698 1.00 63.01 C ATOM 46 C GLU A 4 1.489 1.718 -9.555 1.00 55.35 C ATOM 47 O GLU A 4 1.411 2.563 -10.451 1.00 44.10 O ATOM 48 CB GLU A 4 -0.654 0.432 -9.184 1.00 50.31 C ATOM 49 CG GLU A 4 -1.442 -0.861 -9.382 1.00 34.14 C ATOM 50 CD GLU A 4 -2.835 -0.814 -8.771 1.00 62.12 C ATOM 51 OE1 GLU A 4 -3.737 -0.199 -9.377 1.00 22.52 O ATOM 52 OE2 GLU A 4 -3.035 -1.397 -7.685 1.00 34.15 O ATOM 0 H GLU A 4 1.051 -1.015 -8.121 1.00 52.51 H new ATOM 0 HA GLU A 4 0.789 0.096 -10.758 1.00 63.01 H new ATOM 0 HB2 GLU A 4 -0.641 0.682 -8.123 1.00 50.31 H new ATOM 0 HB3 GLU A 4 -1.169 1.245 -9.697 1.00 50.31 H new ATOM 0 HG2 GLU A 4 -1.527 -1.067 -10.449 1.00 34.14 H new ATOM 0 HG3 GLU A 4 -0.887 -1.689 -8.941 1.00 34.14 H new ATOM 59 N ASP A 5 2.175 1.929 -8.427 1.00 63.54 N ATOM 60 CA ASP A 5 2.922 3.171 -8.193 1.00 10.42 C ATOM 61 C ASP A 5 4.076 3.319 -9.201 1.00 20.51 C ATOM 62 O ASP A 5 4.877 2.395 -9.363 1.00 75.41 O ATOM 63 CB ASP A 5 3.491 3.200 -6.770 1.00 71.13 C ATOM 64 CG ASP A 5 2.414 3.124 -5.707 1.00 43.44 C ATOM 65 OD1 ASP A 5 1.728 4.136 -5.482 1.00 44.24 O ATOM 66 OD2 ASP A 5 2.248 2.053 -5.090 1.00 33.55 O ATOM 0 H ASP A 5 2.229 1.257 -7.662 1.00 63.54 H new ATOM 0 HA ASP A 5 2.227 4.001 -8.323 1.00 10.42 H new ATOM 0 HB2 ASP A 5 4.181 2.366 -6.642 1.00 71.13 H new ATOM 0 HB3 ASP A 5 4.067 4.115 -6.632 1.00 71.13 H new ATOM 71 N PRO A 6 4.190 4.486 -9.875 1.00 24.14 N ATOM 72 CA PRO A 6 5.246 4.738 -10.875 1.00 53.22 C ATOM 73 C PRO A 6 6.652 4.374 -10.365 1.00 3.33 C ATOM 74 O PRO A 6 7.468 3.820 -11.103 1.00 33.11 O ATOM 75 CB PRO A 6 5.135 6.251 -11.158 1.00 52.43 C ATOM 76 CG PRO A 6 4.208 6.791 -10.113 1.00 14.53 C ATOM 77 CD PRO A 6 3.308 5.652 -9.725 1.00 73.52 C ATOM 0 HA PRO A 6 5.110 4.121 -11.763 1.00 53.22 H new ATOM 0 HB2 PRO A 6 6.111 6.733 -11.102 1.00 52.43 H new ATOM 0 HB3 PRO A 6 4.746 6.435 -12.159 1.00 52.43 H new ATOM 0 HG2 PRO A 6 4.765 7.159 -9.251 1.00 14.53 H new ATOM 0 HG3 PRO A 6 3.630 7.630 -10.501 1.00 14.53 H new ATOM 0 HD2 PRO A 6 2.941 5.754 -8.704 1.00 73.52 H new ATOM 0 HD3 PRO A 6 2.434 5.586 -10.373 1.00 73.52 H new ATOM 85 N PHE A 7 6.920 4.672 -9.094 1.00 64.44 N ATOM 86 CA PHE A 7 8.215 4.355 -8.485 1.00 2.50 C ATOM 87 C PHE A 7 8.380 2.842 -8.262 1.00 40.41 C ATOM 88 O PHE A 7 9.445 2.283 -8.523 1.00 23.21 O ATOM 89 CB PHE A 7 8.373 5.104 -7.158 1.00 55.34 C ATOM 90 CG PHE A 7 9.713 4.885 -6.491 1.00 1.04 C ATOM 91 CD1 PHE A 7 10.867 5.442 -7.025 1.00 1.42 C ATOM 92 CD2 PHE A 7 9.818 4.123 -5.335 1.00 12.00 C ATOM 93 CE1 PHE A 7 12.096 5.244 -6.421 1.00 3.05 C ATOM 94 CE2 PHE A 7 11.045 3.923 -4.729 1.00 53.11 C ATOM 95 CZ PHE A 7 12.185 4.484 -5.272 1.00 41.23 C ATOM 0 H PHE A 7 6.261 5.131 -8.466 1.00 64.44 H new ATOM 0 HA PHE A 7 8.995 4.678 -9.175 1.00 2.50 H new ATOM 0 HB2 PHE A 7 8.235 6.171 -7.335 1.00 55.34 H new ATOM 0 HB3 PHE A 7 7.582 4.789 -6.477 1.00 55.34 H new ATOM 0 HD1 PHE A 7 10.805 6.038 -7.924 1.00 1.42 H new ATOM 0 HD2 PHE A 7 8.931 3.682 -4.904 1.00 12.00 H new ATOM 0 HE1 PHE A 7 12.985 5.684 -6.848 1.00 3.05 H new ATOM 0 HE2 PHE A 7 11.112 3.328 -3.830 1.00 53.11 H new ATOM 0 HZ PHE A 7 13.143 4.328 -4.799 1.00 41.23 H new ATOM 105 N THR A 8 7.324 2.179 -7.787 1.00 31.10 N ATOM 106 CA THR A 8 7.384 0.737 -7.499 1.00 2.32 C ATOM 107 C THR A 8 7.683 -0.080 -8.765 1.00 21.32 C ATOM 108 O THR A 8 8.636 -0.854 -8.803 1.00 51.11 O ATOM 109 CB THR A 8 6.065 0.214 -6.882 1.00 21.42 C ATOM 110 OG1 THR A 8 5.637 1.067 -5.812 1.00 65.30 O ATOM 111 CG2 THR A 8 6.234 -1.209 -6.354 1.00 52.32 C ATOM 0 H THR A 8 6.420 2.611 -7.593 1.00 31.10 H new ATOM 0 HA THR A 8 8.193 0.610 -6.780 1.00 2.32 H new ATOM 0 HB THR A 8 5.311 0.213 -7.669 1.00 21.42 H new ATOM 0 HG1 THR A 8 4.809 0.714 -5.424 1.00 65.30 H new ATOM 0 HG21 THR A 8 5.292 -1.552 -5.926 1.00 52.32 H new ATOM 0 HG22 THR A 8 6.522 -1.869 -7.172 1.00 52.32 H new ATOM 0 HG23 THR A 8 7.008 -1.223 -5.587 1.00 52.32 H new ATOM 119 N ARG A 9 6.860 0.098 -9.799 1.00 24.20 N ATOM 120 CA ARG A 9 7.057 -0.590 -11.088 1.00 22.31 C ATOM 121 C ARG A 9 8.451 -0.302 -11.681 1.00 52.22 C ATOM 122 O ARG A 9 9.066 -1.170 -12.305 1.00 70.13 O ATOM 123 CB ARG A 9 5.939 -0.186 -12.065 1.00 13.53 C ATOM 124 CG ARG A 9 5.677 1.319 -12.124 1.00 61.30 C ATOM 125 CD ARG A 9 4.322 1.658 -12.753 1.00 12.24 C ATOM 126 NE ARG A 9 4.316 1.537 -14.212 1.00 71.43 N ATOM 127 CZ ARG A 9 4.026 0.446 -14.872 1.00 25.51 C ATOM 128 NH1 ARG A 9 3.735 -0.650 -14.247 1.00 54.33 N ATOM 129 NH2 ARG A 9 4.013 0.458 -16.166 1.00 45.30 N ATOM 0 H ARG A 9 6.047 0.713 -9.775 1.00 24.20 H new ATOM 0 HA ARG A 9 7.006 -1.665 -10.918 1.00 22.31 H new ATOM 0 HB2 ARG A 9 6.198 -0.538 -13.063 1.00 13.53 H new ATOM 0 HB3 ARG A 9 5.018 -0.693 -11.777 1.00 13.53 H new ATOM 0 HG2 ARG A 9 5.718 1.731 -11.116 1.00 61.30 H new ATOM 0 HG3 ARG A 9 6.470 1.800 -12.697 1.00 61.30 H new ATOM 0 HD2 ARG A 9 3.561 0.998 -12.337 1.00 12.24 H new ATOM 0 HD3 ARG A 9 4.046 2.676 -12.478 1.00 12.24 H new ATOM 0 HE ARG A 9 4.556 2.367 -14.755 1.00 71.43 H new ATOM 0 HH11 ARG A 9 3.730 -0.670 -13.227 1.00 54.33 H new ATOM 0 HH12 ARG A 9 3.511 -1.494 -14.774 1.00 54.33 H new ATOM 0 HH21 ARG A 9 4.229 1.318 -16.670 1.00 45.30 H new ATOM 0 HH22 ARG A 9 3.787 -0.393 -16.682 1.00 45.30 H new ATOM 143 N TYR A 10 8.947 0.916 -11.469 1.00 11.11 N ATOM 144 CA TYR A 10 10.319 1.276 -11.851 1.00 41.15 C ATOM 145 C TYR A 10 11.349 0.470 -11.034 1.00 71.31 C ATOM 146 O TYR A 10 12.322 -0.059 -11.578 1.00 74.13 O ATOM 147 CB TYR A 10 10.535 2.782 -11.648 1.00 41.51 C ATOM 148 CG TYR A 10 11.957 3.260 -11.897 1.00 21.52 C ATOM 149 CD1 TYR A 10 12.414 3.524 -13.187 1.00 0.31 C ATOM 150 CD2 TYR A 10 12.837 3.468 -10.837 1.00 51.14 C ATOM 151 CE1 TYR A 10 13.701 3.978 -13.410 1.00 42.23 C ATOM 152 CE2 TYR A 10 14.124 3.918 -11.055 1.00 71.14 C ATOM 153 CZ TYR A 10 14.551 4.175 -12.341 1.00 34.54 C ATOM 154 OH TYR A 10 15.836 4.624 -12.556 1.00 55.53 O ATOM 0 H TYR A 10 8.421 1.674 -11.034 1.00 11.11 H new ATOM 0 HA TYR A 10 10.462 1.032 -12.904 1.00 41.15 H new ATOM 0 HB2 TYR A 10 9.862 3.324 -12.313 1.00 41.51 H new ATOM 0 HB3 TYR A 10 10.253 3.041 -10.628 1.00 41.51 H new ATOM 0 HD1 TYR A 10 11.752 3.371 -14.026 1.00 0.31 H new ATOM 0 HD2 TYR A 10 12.507 3.274 -9.827 1.00 51.14 H new ATOM 0 HE1 TYR A 10 14.039 4.177 -14.416 1.00 42.23 H new ATOM 0 HE2 TYR A 10 14.794 4.068 -10.221 1.00 71.14 H new ATOM 0 HH TYR A 10 16.300 4.710 -11.697 1.00 55.53 H new ATOM 164 N ALA A 11 11.117 0.375 -9.723 1.00 13.44 N ATOM 165 CA ALA A 11 11.993 -0.391 -8.829 1.00 63.12 C ATOM 166 C ALA A 11 12.027 -1.878 -9.214 1.00 62.30 C ATOM 167 O ALA A 11 13.096 -2.488 -9.268 1.00 20.45 O ATOM 168 CB ALA A 11 11.542 -0.226 -7.382 1.00 54.23 C ATOM 0 H ALA A 11 10.328 0.820 -9.254 1.00 13.44 H new ATOM 0 HA ALA A 11 13.005 0.001 -8.933 1.00 63.12 H new ATOM 0 HB1 ALA A 11 12.200 -0.799 -6.728 1.00 54.23 H new ATOM 0 HB2 ALA A 11 11.584 0.828 -7.106 1.00 54.23 H new ATOM 0 HB3 ALA A 11 10.520 -0.588 -7.276 1.00 54.23 H new ATOM 174 N LEU A 12 10.853 -2.455 -9.488 1.00 12.34 N ATOM 175 CA LEU A 12 10.759 -3.853 -9.935 1.00 20.10 C ATOM 176 C LEU A 12 11.538 -4.073 -11.239 1.00 14.45 C ATOM 177 O LEU A 12 12.215 -5.089 -11.402 1.00 31.22 O ATOM 178 CB LEU A 12 9.288 -4.280 -10.107 1.00 11.51 C ATOM 179 CG LEU A 12 8.591 -4.805 -8.838 1.00 54.15 C ATOM 180 CD1 LEU A 12 9.263 -6.084 -8.343 1.00 43.24 C ATOM 181 CD2 LEU A 12 8.575 -3.746 -7.739 1.00 43.42 C ATOM 0 H LEU A 12 9.955 -1.979 -9.409 1.00 12.34 H new ATOM 0 HA LEU A 12 11.209 -4.476 -9.162 1.00 20.10 H new ATOM 0 HB2 LEU A 12 8.723 -3.427 -10.483 1.00 11.51 H new ATOM 0 HB3 LEU A 12 9.241 -5.055 -10.872 1.00 11.51 H new ATOM 0 HG LEU A 12 7.557 -5.036 -9.096 1.00 54.15 H new ATOM 0 HD11 LEU A 12 8.755 -6.438 -7.446 1.00 43.24 H new ATOM 0 HD12 LEU A 12 9.206 -6.848 -9.118 1.00 43.24 H new ATOM 0 HD13 LEU A 12 10.308 -5.880 -8.111 1.00 43.24 H new ATOM 0 HD21 LEU A 12 8.077 -4.146 -6.856 1.00 43.42 H new ATOM 0 HD22 LEU A 12 9.598 -3.470 -7.485 1.00 43.42 H new ATOM 0 HD23 LEU A 12 8.039 -2.865 -8.091 1.00 43.42 H new ATOM 193 N ALA A 13 11.447 -3.115 -12.163 1.00 63.33 N ATOM 194 CA ALA A 13 12.239 -3.161 -13.398 1.00 64.52 C ATOM 195 C ALA A 13 13.734 -3.333 -13.084 1.00 22.23 C ATOM 196 O ALA A 13 14.404 -4.210 -13.636 1.00 51.21 O ATOM 197 CB ALA A 13 12.010 -1.902 -14.227 1.00 61.33 C ATOM 0 H ALA A 13 10.837 -2.301 -12.083 1.00 63.33 H new ATOM 0 HA ALA A 13 11.912 -4.023 -13.979 1.00 64.52 H new ATOM 0 HB1 ALA A 13 12.605 -1.953 -15.139 1.00 61.33 H new ATOM 0 HB2 ALA A 13 10.954 -1.824 -14.487 1.00 61.33 H new ATOM 0 HB3 ALA A 13 12.307 -1.027 -13.649 1.00 61.33 H new ATOM 203 N GLN A 14 14.242 -2.509 -12.168 1.00 74.43 N ATOM 204 CA GLN A 14 15.639 -2.606 -11.734 1.00 11.34 C ATOM 205 C GLN A 14 15.902 -3.927 -10.989 1.00 41.32 C ATOM 206 O GLN A 14 16.981 -4.502 -11.106 1.00 32.24 O ATOM 207 CB GLN A 14 16.014 -1.414 -10.842 1.00 71.43 C ATOM 208 CG GLN A 14 15.848 -0.059 -11.525 1.00 44.51 C ATOM 209 CD GLN A 14 16.337 1.100 -10.671 1.00 73.22 C ATOM 210 OE1 GLN A 14 16.307 1.046 -9.448 1.00 60.10 O ATOM 211 NE2 GLN A 14 16.785 2.161 -11.311 1.00 34.41 N ATOM 0 H GLN A 14 13.710 -1.768 -11.712 1.00 74.43 H new ATOM 0 HA GLN A 14 16.264 -2.588 -12.627 1.00 11.34 H new ATOM 0 HB2 GLN A 14 15.397 -1.436 -9.944 1.00 71.43 H new ATOM 0 HB3 GLN A 14 17.050 -1.524 -10.520 1.00 71.43 H new ATOM 0 HG2 GLN A 14 16.394 -0.064 -12.468 1.00 44.51 H new ATOM 0 HG3 GLN A 14 14.796 0.093 -11.767 1.00 44.51 H new ATOM 0 HE21 GLN A 14 16.797 2.174 -12.331 1.00 34.41 H new ATOM 0 HE22 GLN A 14 17.120 2.969 -10.787 1.00 34.41 H new ATOM 220 N GLU A 15 14.909 -4.405 -10.231 1.00 71.43 N ATOM 221 CA GLU A 15 15.016 -5.695 -9.530 1.00 20.43 C ATOM 222 C GLU A 15 15.318 -6.837 -10.508 1.00 75.44 C ATOM 223 O GLU A 15 16.177 -7.680 -10.247 1.00 25.22 O ATOM 224 CB GLU A 15 13.727 -6.008 -8.751 1.00 45.24 C ATOM 225 CG GLU A 15 13.504 -5.125 -7.526 1.00 60.13 C ATOM 226 CD GLU A 15 14.561 -5.330 -6.452 1.00 74.02 C ATOM 227 OE1 GLU A 15 14.459 -6.311 -5.690 1.00 41.14 O ATOM 228 OE2 GLU A 15 15.496 -4.508 -6.358 1.00 52.12 O ATOM 0 H GLU A 15 14.023 -3.921 -10.086 1.00 71.43 H new ATOM 0 HA GLU A 15 15.844 -5.612 -8.826 1.00 20.43 H new ATOM 0 HB2 GLU A 15 12.875 -5.900 -9.422 1.00 45.24 H new ATOM 0 HB3 GLU A 15 13.752 -7.050 -8.433 1.00 45.24 H new ATOM 0 HG2 GLU A 15 13.502 -4.079 -7.833 1.00 60.13 H new ATOM 0 HG3 GLU A 15 12.520 -5.335 -7.106 1.00 60.13 H new ATOM 235 N HIS A 16 14.611 -6.860 -11.638 1.00 32.31 N ATOM 236 CA HIS A 16 14.865 -7.865 -12.677 1.00 22.12 C ATOM 237 C HIS A 16 16.317 -7.779 -13.181 1.00 75.34 C ATOM 238 O HIS A 16 16.971 -8.801 -13.376 1.00 61.21 O ATOM 239 CB HIS A 16 13.877 -7.712 -13.842 1.00 33.55 C ATOM 240 CG HIS A 16 12.455 -8.038 -13.479 1.00 51.14 C ATOM 241 ND1 HIS A 16 11.949 -9.320 -13.470 1.00 60.04 N ATOM 242 CD2 HIS A 16 11.425 -7.236 -13.123 1.00 1.22 C ATOM 243 CE1 HIS A 16 10.676 -9.290 -13.128 1.00 32.24 C ATOM 244 NE2 HIS A 16 10.334 -8.039 -12.913 1.00 52.31 N ATOM 0 H HIS A 16 13.864 -6.202 -11.859 1.00 32.31 H new ATOM 0 HA HIS A 16 14.717 -8.850 -12.234 1.00 22.12 H new ATOM 0 HB2 HIS A 16 13.922 -6.688 -14.212 1.00 33.55 H new ATOM 0 HB3 HIS A 16 14.191 -8.360 -14.660 1.00 33.55 H new ATOM 0 HD2 HIS A 16 11.457 -6.161 -13.023 1.00 1.22 H new ATOM 0 HE1 HIS A 16 10.025 -10.147 -13.040 1.00 32.24 H new ATOM 0 HE2 HIS A 16 9.407 -7.718 -12.635 1.00 52.31 H new ATOM 253 N LEU A 17 16.819 -6.554 -13.368 1.00 53.43 N ATOM 254 CA LEU A 17 18.237 -6.343 -13.714 1.00 54.12 C ATOM 255 C LEU A 17 19.163 -6.899 -12.620 1.00 44.50 C ATOM 256 O LEU A 17 20.143 -7.589 -12.906 1.00 53.25 O ATOM 257 CB LEU A 17 18.537 -4.847 -13.914 1.00 64.12 C ATOM 258 CG LEU A 17 17.877 -4.188 -15.135 1.00 31.13 C ATOM 259 CD1 LEU A 17 18.139 -2.684 -15.146 1.00 13.34 C ATOM 260 CD2 LEU A 17 18.376 -4.827 -16.430 1.00 13.43 C ATOM 0 H LEU A 17 16.273 -5.696 -13.287 1.00 53.43 H new ATOM 0 HA LEU A 17 18.424 -6.877 -14.646 1.00 54.12 H new ATOM 0 HB2 LEU A 17 18.220 -4.310 -13.020 1.00 64.12 H new ATOM 0 HB3 LEU A 17 19.617 -4.720 -13.996 1.00 64.12 H new ATOM 0 HG LEU A 17 16.801 -4.348 -15.065 1.00 31.13 H new ATOM 0 HD11 LEU A 17 17.663 -2.238 -16.019 1.00 13.34 H new ATOM 0 HD12 LEU A 17 17.729 -2.237 -14.241 1.00 13.34 H new ATOM 0 HD13 LEU A 17 19.213 -2.502 -15.186 1.00 13.34 H new ATOM 0 HD21 LEU A 17 17.896 -4.345 -17.282 1.00 13.43 H new ATOM 0 HD22 LEU A 17 19.456 -4.703 -16.504 1.00 13.43 H new ATOM 0 HD23 LEU A 17 18.132 -5.889 -16.429 1.00 13.43 H new ATOM 272 N LYS A 18 18.839 -6.590 -11.366 1.00 41.32 N ATOM 273 CA LYS A 18 19.615 -7.067 -10.215 1.00 24.34 C ATOM 274 C LYS A 18 19.545 -8.599 -10.099 1.00 72.20 C ATOM 275 O LYS A 18 20.418 -9.232 -9.502 1.00 71.01 O ATOM 276 CB LYS A 18 19.100 -6.404 -8.929 1.00 3.53 C ATOM 277 CG LYS A 18 19.184 -4.877 -8.955 1.00 12.34 C ATOM 278 CD LYS A 18 18.486 -4.240 -7.756 1.00 41.54 C ATOM 279 CE LYS A 18 19.173 -4.583 -6.439 1.00 14.44 C ATOM 280 NZ LYS A 18 20.552 -4.028 -6.366 1.00 72.50 N ATOM 0 H LYS A 18 18.040 -6.008 -11.117 1.00 41.32 H new ATOM 0 HA LYS A 18 20.659 -6.792 -10.363 1.00 24.34 H new ATOM 0 HB2 LYS A 18 18.064 -6.700 -8.767 1.00 3.53 H new ATOM 0 HB3 LYS A 18 19.675 -6.777 -8.082 1.00 3.53 H new ATOM 0 HG2 LYS A 18 20.231 -4.573 -8.968 1.00 12.34 H new ATOM 0 HG3 LYS A 18 18.733 -4.506 -9.875 1.00 12.34 H new ATOM 0 HD2 LYS A 18 18.467 -3.158 -7.882 1.00 41.54 H new ATOM 0 HD3 LYS A 18 17.449 -4.575 -7.721 1.00 41.54 H new ATOM 0 HE2 LYS A 18 18.582 -4.194 -5.610 1.00 14.44 H new ATOM 0 HE3 LYS A 18 19.212 -5.666 -6.322 1.00 14.44 H new ATOM 0 HZ1 LYS A 18 20.913 -4.121 -5.395 1.00 72.50 H new ATOM 0 HZ2 LYS A 18 21.172 -4.551 -7.017 1.00 72.50 H new ATOM 0 HZ3 LYS A 18 20.537 -3.024 -6.635 1.00 72.50 H new ATOM 294 N HIS A 19 18.498 -9.187 -10.679 1.00 4.24 N ATOM 295 CA HIS A 19 18.347 -10.647 -10.733 1.00 74.45 C ATOM 296 C HIS A 19 18.645 -11.201 -12.144 1.00 71.43 C ATOM 297 O HIS A 19 18.084 -12.221 -12.549 1.00 43.52 O ATOM 298 CB HIS A 19 16.934 -11.052 -10.285 1.00 71.34 C ATOM 299 CG HIS A 19 16.656 -10.784 -8.832 1.00 71.55 C ATOM 300 ND1 HIS A 19 17.190 -11.538 -7.806 1.00 74.44 N ATOM 301 CD2 HIS A 19 15.885 -9.843 -8.234 1.00 52.30 C ATOM 302 CE1 HIS A 19 16.757 -11.076 -6.649 1.00 13.54 C ATOM 303 NE2 HIS A 19 15.966 -10.050 -6.879 1.00 14.41 N ATOM 0 H HIS A 19 17.736 -8.673 -11.121 1.00 4.24 H new ATOM 0 HA HIS A 19 19.076 -11.082 -10.049 1.00 74.45 H new ATOM 0 HB2 HIS A 19 16.204 -10.515 -10.890 1.00 71.34 H new ATOM 0 HB3 HIS A 19 16.791 -12.114 -10.482 1.00 71.34 H new ATOM 0 HD2 HIS A 19 15.313 -9.073 -8.731 1.00 52.30 H new ATOM 0 HE1 HIS A 19 17.009 -11.473 -5.677 1.00 13.54 H new ATOM 0 HE2 HIS A 19 15.490 -9.498 -6.166 1.00 14.41 H new ATOM 312 N ASP A 20 19.523 -10.510 -12.885 1.00 62.14 N ATOM 313 CA ASP A 20 20.031 -10.981 -14.194 1.00 41.34 C ATOM 314 C ASP A 20 18.995 -10.876 -15.342 1.00 1.32 C ATOM 315 O ASP A 20 19.371 -10.846 -16.519 1.00 23.31 O ATOM 316 CB ASP A 20 20.561 -12.422 -14.072 1.00 32.41 C ATOM 317 CG ASP A 20 20.969 -13.020 -15.409 1.00 64.04 C ATOM 318 OD1 ASP A 20 22.061 -12.684 -15.914 1.00 14.40 O ATOM 319 OD2 ASP A 20 20.189 -13.820 -15.971 1.00 4.51 O ATOM 0 H ASP A 20 19.905 -9.608 -12.599 1.00 62.14 H new ATOM 0 HA ASP A 20 20.846 -10.310 -14.466 1.00 41.34 H new ATOM 0 HB2 ASP A 20 21.418 -12.432 -13.399 1.00 32.41 H new ATOM 0 HB3 ASP A 20 19.793 -13.049 -13.619 1.00 32.41 H new ATOM 324 N ASN A 21 17.707 -10.809 -15.017 1.00 61.22 N ATOM 325 CA ASN A 21 16.654 -10.755 -16.042 1.00 33.23 C ATOM 326 C ASN A 21 16.613 -9.391 -16.759 1.00 44.51 C ATOM 327 O ASN A 21 15.737 -8.557 -16.504 1.00 62.03 O ATOM 328 CB ASN A 21 15.287 -11.086 -15.423 1.00 64.24 C ATOM 329 CG ASN A 21 15.103 -12.570 -15.151 1.00 53.12 C ATOM 330 OD1 ASN A 21 14.510 -12.962 -14.153 1.00 43.31 O ATOM 331 ND2 ASN A 21 15.559 -13.409 -16.063 1.00 74.52 N ATOM 0 H ASN A 21 17.362 -10.791 -14.057 1.00 61.22 H new ATOM 0 HA ASN A 21 16.891 -11.506 -16.795 1.00 33.23 H new ATOM 0 HB2 ASN A 21 15.173 -10.534 -14.490 1.00 64.24 H new ATOM 0 HB3 ASN A 21 14.498 -10.744 -16.093 1.00 64.24 H new ATOM 0 HD21 ASN A 21 15.421 -14.413 -15.947 1.00 74.52 H new ATOM 0 HD22 ASN A 21 16.049 -13.053 -16.884 1.00 74.52 H new ATOM 338 N ALA A 22 17.568 -9.187 -17.667 1.00 2.25 N ATOM 339 CA ALA A 22 17.685 -7.936 -18.425 1.00 44.11 C ATOM 340 C ALA A 22 16.502 -7.731 -19.385 1.00 5.31 C ATOM 341 O ALA A 22 15.912 -6.654 -19.432 1.00 55.24 O ATOM 342 CB ALA A 22 19.004 -7.911 -19.195 1.00 24.12 C ATOM 0 H ALA A 22 18.280 -9.879 -17.899 1.00 2.25 H new ATOM 0 HA ALA A 22 17.668 -7.114 -17.709 1.00 44.11 H new ATOM 0 HB1 ALA A 22 19.081 -6.979 -19.754 1.00 24.12 H new ATOM 0 HB2 ALA A 22 19.836 -7.984 -18.494 1.00 24.12 H new ATOM 0 HB3 ALA A 22 19.038 -8.753 -19.887 1.00 24.12 H new ATOM 348 N SER A 23 16.155 -8.771 -20.146 1.00 0.00 N ATOM 349 CA SER A 23 15.041 -8.690 -21.108 1.00 40.41 C ATOM 350 C SER A 23 13.703 -8.441 -20.400 1.00 73.04 C ATOM 351 O SER A 23 12.873 -7.663 -20.869 1.00 31.52 O ATOM 352 CB SER A 23 14.953 -9.972 -21.949 1.00 40.21 C ATOM 353 OG SER A 23 16.146 -10.188 -22.688 1.00 22.41 O ATOM 0 H SER A 23 16.623 -9.677 -20.119 1.00 0.00 H new ATOM 0 HA SER A 23 15.243 -7.845 -21.766 1.00 40.41 H new ATOM 0 HB2 SER A 23 14.767 -10.825 -21.297 1.00 40.21 H new ATOM 0 HB3 SER A 23 14.107 -9.904 -22.633 1.00 40.21 H new ATOM 0 HG SER A 23 16.061 -11.012 -23.212 1.00 22.41 H new ATOM 359 N ARG A 24 13.502 -9.103 -19.262 1.00 2.41 N ATOM 360 CA ARG A 24 12.284 -8.916 -18.463 1.00 31.22 C ATOM 361 C ARG A 24 12.216 -7.500 -17.867 1.00 53.44 C ATOM 362 O ARG A 24 11.137 -6.910 -17.753 1.00 34.21 O ATOM 363 CB ARG A 24 12.216 -9.977 -17.356 1.00 24.21 C ATOM 364 CG ARG A 24 12.029 -11.396 -17.889 1.00 54.32 C ATOM 365 CD ARG A 24 10.749 -11.511 -18.711 1.00 10.23 C ATOM 366 NE ARG A 24 10.576 -12.831 -19.306 1.00 51.42 N ATOM 367 CZ ARG A 24 9.584 -13.150 -20.091 1.00 44.41 C ATOM 368 NH1 ARG A 24 8.663 -12.283 -20.372 1.00 25.13 N ATOM 369 NH2 ARG A 24 9.513 -14.342 -20.584 1.00 31.35 N ATOM 0 H ARG A 24 14.163 -9.773 -18.870 1.00 2.41 H new ATOM 0 HA ARG A 24 11.422 -9.035 -19.120 1.00 31.22 H new ATOM 0 HB2 ARG A 24 13.132 -9.936 -16.766 1.00 24.21 H new ATOM 0 HB3 ARG A 24 11.392 -9.738 -16.683 1.00 24.21 H new ATOM 0 HG2 ARG A 24 12.886 -11.672 -18.504 1.00 54.32 H new ATOM 0 HG3 ARG A 24 11.994 -12.099 -17.056 1.00 54.32 H new ATOM 0 HD2 ARG A 24 9.893 -11.290 -18.074 1.00 10.23 H new ATOM 0 HD3 ARG A 24 10.761 -10.760 -19.501 1.00 10.23 H new ATOM 0 HE ARG A 24 11.271 -13.547 -19.096 1.00 51.42 H new ATOM 0 HH11 ARG A 24 8.710 -11.343 -19.979 1.00 25.13 H new ATOM 0 HH12 ARG A 24 7.891 -12.540 -20.987 1.00 25.13 H new ATOM 0 HH21 ARG A 24 10.231 -15.030 -20.359 1.00 31.35 H new ATOM 0 HH22 ARG A 24 8.739 -14.595 -21.198 1.00 31.35 H new ATOM 383 N ALA A 25 13.371 -6.959 -17.488 1.00 14.11 N ATOM 384 CA ALA A 25 13.455 -5.567 -17.041 1.00 73.24 C ATOM 385 C ALA A 25 13.158 -4.604 -18.197 1.00 75.33 C ATOM 386 O ALA A 25 12.394 -3.651 -18.047 1.00 43.25 O ATOM 387 CB ALA A 25 14.831 -5.286 -16.462 1.00 22.40 C ATOM 0 H ALA A 25 14.260 -7.459 -17.481 1.00 14.11 H new ATOM 0 HA ALA A 25 12.706 -5.409 -16.265 1.00 73.24 H new ATOM 0 HB1 ALA A 25 14.882 -4.248 -16.133 1.00 22.40 H new ATOM 0 HB2 ALA A 25 15.010 -5.945 -15.613 1.00 22.40 H new ATOM 0 HB3 ALA A 25 15.590 -5.463 -17.225 1.00 22.40 H new ATOM 393 N LEU A 26 13.774 -4.874 -19.348 1.00 21.55 N ATOM 394 CA LEU A 26 13.545 -4.101 -20.573 1.00 52.42 C ATOM 395 C LEU A 26 12.045 -3.976 -20.874 1.00 54.54 C ATOM 396 O LEU A 26 11.546 -2.883 -21.140 1.00 10.52 O ATOM 397 CB LEU A 26 14.271 -4.770 -21.753 1.00 65.31 C ATOM 398 CG LEU A 26 14.186 -4.032 -23.101 1.00 73.04 C ATOM 399 CD1 LEU A 26 14.807 -2.643 -23.002 1.00 50.11 C ATOM 400 CD2 LEU A 26 14.866 -4.845 -24.201 1.00 22.13 C ATOM 0 H LEU A 26 14.446 -5.634 -19.459 1.00 21.55 H new ATOM 0 HA LEU A 26 13.943 -3.097 -20.427 1.00 52.42 H new ATOM 0 HB2 LEU A 26 15.322 -4.885 -21.489 1.00 65.31 H new ATOM 0 HB3 LEU A 26 13.864 -5.773 -21.884 1.00 65.31 H new ATOM 0 HG LEU A 26 13.133 -3.915 -23.357 1.00 73.04 H new ATOM 0 HD11 LEU A 26 14.734 -2.142 -23.967 1.00 50.11 H new ATOM 0 HD12 LEU A 26 14.276 -2.060 -22.250 1.00 50.11 H new ATOM 0 HD13 LEU A 26 15.855 -2.733 -22.718 1.00 50.11 H new ATOM 0 HD21 LEU A 26 14.796 -4.308 -25.147 1.00 22.13 H new ATOM 0 HD22 LEU A 26 15.915 -4.996 -23.946 1.00 22.13 H new ATOM 0 HD23 LEU A 26 14.373 -5.812 -24.296 1.00 22.13 H new ATOM 412 N ALA A 27 11.332 -5.103 -20.810 1.00 70.25 N ATOM 413 CA ALA A 27 9.878 -5.122 -21.016 1.00 44.13 C ATOM 414 C ALA A 27 9.151 -4.146 -20.071 1.00 33.34 C ATOM 415 O ALA A 27 8.235 -3.427 -20.484 1.00 21.23 O ATOM 416 CB ALA A 27 9.341 -6.537 -20.829 1.00 50.43 C ATOM 0 H ALA A 27 11.738 -6.019 -20.617 1.00 70.25 H new ATOM 0 HA ALA A 27 9.684 -4.794 -22.037 1.00 44.13 H new ATOM 0 HB1 ALA A 27 8.262 -6.540 -20.984 1.00 50.43 H new ATOM 0 HB2 ALA A 27 9.813 -7.204 -21.551 1.00 50.43 H new ATOM 0 HB3 ALA A 27 9.563 -6.880 -19.819 1.00 50.43 H new ATOM 422 N LEU A 28 9.554 -4.125 -18.800 1.00 23.32 N ATOM 423 CA LEU A 28 8.963 -3.199 -17.824 1.00 30.52 C ATOM 424 C LEU A 28 9.306 -1.736 -18.144 1.00 14.23 C ATOM 425 O LEU A 28 8.436 -0.869 -18.090 1.00 40.12 O ATOM 426 CB LEU A 28 9.405 -3.549 -16.395 1.00 51.15 C ATOM 427 CG LEU A 28 8.732 -4.790 -15.786 1.00 72.35 C ATOM 428 CD1 LEU A 28 9.259 -5.054 -14.380 1.00 73.45 C ATOM 429 CD2 LEU A 28 7.211 -4.626 -15.765 1.00 22.24 C ATOM 0 H LEU A 28 10.281 -4.732 -18.421 1.00 23.32 H new ATOM 0 HA LEU A 28 7.881 -3.311 -17.892 1.00 30.52 H new ATOM 0 HB2 LEU A 28 10.484 -3.703 -16.393 1.00 51.15 H new ATOM 0 HB3 LEU A 28 9.204 -2.693 -15.750 1.00 51.15 H new ATOM 0 HG LEU A 28 8.976 -5.649 -16.411 1.00 72.35 H new ATOM 0 HD11 LEU A 28 8.770 -5.936 -13.968 1.00 73.45 H new ATOM 0 HD12 LEU A 28 10.335 -5.222 -14.420 1.00 73.45 H new ATOM 0 HD13 LEU A 28 9.049 -4.193 -13.745 1.00 73.45 H new ATOM 0 HD21 LEU A 28 6.755 -5.515 -15.330 1.00 22.24 H new ATOM 0 HD22 LEU A 28 6.947 -3.754 -15.167 1.00 22.24 H new ATOM 0 HD23 LEU A 28 6.845 -4.492 -16.783 1.00 22.24 H new ATOM 441 N PHE A 29 10.566 -1.462 -18.486 1.00 24.23 N ATOM 442 CA PHE A 29 10.975 -0.102 -18.869 1.00 54.23 C ATOM 443 C PHE A 29 10.196 0.393 -20.101 1.00 63.45 C ATOM 444 O PHE A 29 9.694 1.519 -20.120 1.00 71.42 O ATOM 445 CB PHE A 29 12.485 -0.032 -19.143 1.00 21.13 C ATOM 446 CG PHE A 29 13.346 -0.078 -17.901 1.00 53.04 C ATOM 447 CD1 PHE A 29 13.368 0.995 -17.019 1.00 23.21 C ATOM 448 CD2 PHE A 29 14.141 -1.181 -17.624 1.00 42.45 C ATOM 449 CE1 PHE A 29 14.164 0.964 -15.887 1.00 43.30 C ATOM 450 CE2 PHE A 29 14.935 -1.215 -16.494 1.00 54.21 C ATOM 451 CZ PHE A 29 14.947 -0.142 -15.625 1.00 34.34 C ATOM 0 H PHE A 29 11.316 -2.153 -18.507 1.00 24.23 H new ATOM 0 HA PHE A 29 10.742 0.551 -18.028 1.00 54.23 H new ATOM 0 HB2 PHE A 29 12.763 -0.861 -19.794 1.00 21.13 H new ATOM 0 HB3 PHE A 29 12.701 0.887 -19.687 1.00 21.13 H new ATOM 0 HD1 PHE A 29 12.757 1.863 -17.219 1.00 23.21 H new ATOM 0 HD2 PHE A 29 14.139 -2.023 -18.300 1.00 42.45 H new ATOM 0 HE1 PHE A 29 14.172 1.805 -15.209 1.00 43.30 H new ATOM 0 HE2 PHE A 29 15.547 -2.081 -16.290 1.00 54.21 H new ATOM 0 HZ PHE A 29 15.568 -0.168 -14.742 1.00 34.34 H new ATOM 461 N GLU A 30 10.094 -0.456 -21.125 1.00 35.33 N ATOM 462 CA GLU A 30 9.315 -0.130 -22.325 1.00 43.42 C ATOM 463 C GLU A 30 7.848 0.159 -21.967 1.00 73.43 C ATOM 464 O GLU A 30 7.222 1.062 -22.532 1.00 72.31 O ATOM 465 CB GLU A 30 9.391 -1.275 -23.349 1.00 51.51 C ATOM 466 CG GLU A 30 10.795 -1.535 -23.892 1.00 41.21 C ATOM 467 CD GLU A 30 10.808 -2.576 -25.002 1.00 52.54 C ATOM 468 OE1 GLU A 30 10.612 -2.197 -26.179 1.00 61.44 O ATOM 469 OE2 GLU A 30 10.999 -3.775 -24.707 1.00 11.04 O ATOM 0 H GLU A 30 10.539 -1.373 -21.149 1.00 35.33 H new ATOM 0 HA GLU A 30 9.746 0.768 -22.769 1.00 43.42 H new ATOM 0 HB2 GLU A 30 9.018 -2.188 -22.885 1.00 51.51 H new ATOM 0 HB3 GLU A 30 8.727 -1.047 -24.183 1.00 51.51 H new ATOM 0 HG2 GLU A 30 11.214 -0.602 -24.269 1.00 41.21 H new ATOM 0 HG3 GLU A 30 11.440 -1.868 -23.079 1.00 41.21 H new ATOM 476 N GLU A 31 7.311 -0.613 -21.024 1.00 43.33 N ATOM 477 CA GLU A 31 5.951 -0.395 -20.514 1.00 35.23 C ATOM 478 C GLU A 31 5.840 0.967 -19.807 1.00 63.12 C ATOM 479 O GLU A 31 4.903 1.729 -20.042 1.00 72.35 O ATOM 480 CB GLU A 31 5.566 -1.521 -19.543 1.00 55.45 C ATOM 481 CG GLU A 31 4.129 -1.442 -19.034 1.00 12.04 C ATOM 482 CD GLU A 31 3.809 -2.514 -18.002 1.00 55.10 C ATOM 483 OE1 GLU A 31 3.683 -3.698 -18.384 1.00 64.14 O ATOM 484 OE2 GLU A 31 3.674 -2.177 -16.807 1.00 73.40 O ATOM 0 H GLU A 31 7.797 -1.400 -20.593 1.00 43.33 H new ATOM 0 HA GLU A 31 5.265 -0.399 -21.361 1.00 35.23 H new ATOM 0 HB2 GLU A 31 5.712 -2.480 -20.040 1.00 55.45 H new ATOM 0 HB3 GLU A 31 6.244 -1.498 -18.690 1.00 55.45 H new ATOM 0 HG2 GLU A 31 3.957 -0.459 -18.595 1.00 12.04 H new ATOM 0 HG3 GLU A 31 3.444 -1.539 -19.876 1.00 12.04 H new ATOM 491 N LEU A 32 6.816 1.267 -18.949 1.00 20.21 N ATOM 492 CA LEU A 32 6.868 2.548 -18.230 1.00 32.13 C ATOM 493 C LEU A 32 6.781 3.743 -19.194 1.00 74.01 C ATOM 494 O LEU A 32 6.129 4.741 -18.900 1.00 73.51 O ATOM 495 CB LEU A 32 8.164 2.642 -17.411 1.00 61.15 C ATOM 496 CG LEU A 32 8.312 1.629 -16.265 1.00 64.31 C ATOM 497 CD1 LEU A 32 9.716 1.686 -15.665 1.00 33.52 C ATOM 498 CD2 LEU A 32 7.264 1.880 -15.190 1.00 14.43 C ATOM 0 H LEU A 32 7.588 0.637 -18.732 1.00 20.21 H new ATOM 0 HA LEU A 32 6.007 2.586 -17.563 1.00 32.13 H new ATOM 0 HB2 LEU A 32 9.009 2.519 -18.089 1.00 61.15 H new ATOM 0 HB3 LEU A 32 8.234 3.646 -16.993 1.00 61.15 H new ATOM 0 HG LEU A 32 8.157 0.631 -16.674 1.00 64.31 H new ATOM 0 HD11 LEU A 32 9.796 0.960 -14.856 1.00 33.52 H new ATOM 0 HD12 LEU A 32 10.451 1.453 -16.436 1.00 33.52 H new ATOM 0 HD13 LEU A 32 9.905 2.686 -15.275 1.00 33.52 H new ATOM 0 HD21 LEU A 32 7.385 1.153 -14.387 1.00 14.43 H new ATOM 0 HD22 LEU A 32 7.387 2.886 -14.790 1.00 14.43 H new ATOM 0 HD23 LEU A 32 6.268 1.781 -15.622 1.00 14.43 H new ATOM 510 N VAL A 33 7.447 3.623 -20.341 1.00 4.24 N ATOM 511 CA VAL A 33 7.451 4.675 -21.367 1.00 12.34 C ATOM 512 C VAL A 33 6.030 5.071 -21.807 1.00 14.22 C ATOM 513 O VAL A 33 5.703 6.258 -21.895 1.00 51.52 O ATOM 514 CB VAL A 33 8.261 4.224 -22.613 1.00 64.33 C ATOM 515 CG1 VAL A 33 8.092 5.202 -23.775 1.00 3.12 C ATOM 516 CG2 VAL A 33 9.737 4.058 -22.260 1.00 62.44 C ATOM 0 H VAL A 33 7.997 2.801 -20.589 1.00 4.24 H new ATOM 0 HA VAL A 33 7.922 5.547 -20.913 1.00 12.34 H new ATOM 0 HB VAL A 33 7.868 3.259 -22.934 1.00 64.33 H new ATOM 0 HG11 VAL A 33 8.673 4.855 -24.630 1.00 3.12 H new ATOM 0 HG12 VAL A 33 7.039 5.261 -24.051 1.00 3.12 H new ATOM 0 HG13 VAL A 33 8.444 6.189 -23.474 1.00 3.12 H new ATOM 0 HG21 VAL A 33 10.289 3.742 -23.145 1.00 62.44 H new ATOM 0 HG22 VAL A 33 10.135 5.008 -21.904 1.00 62.44 H new ATOM 0 HG23 VAL A 33 9.842 3.305 -21.479 1.00 62.44 H new ATOM 526 N GLU A 34 5.201 4.076 -22.106 1.00 65.00 N ATOM 527 CA GLU A 34 3.830 4.323 -22.575 1.00 44.40 C ATOM 528 C GLU A 34 2.849 4.590 -21.415 1.00 24.13 C ATOM 529 O GLU A 34 1.940 5.414 -21.540 1.00 30.44 O ATOM 530 CB GLU A 34 3.347 3.141 -23.431 1.00 41.32 C ATOM 531 CG GLU A 34 3.483 1.786 -22.749 1.00 24.10 C ATOM 532 CD GLU A 34 3.055 0.632 -23.638 1.00 32.42 C ATOM 533 OE1 GLU A 34 3.797 0.292 -24.583 1.00 3.43 O ATOM 534 OE2 GLU A 34 1.969 0.060 -23.404 1.00 54.24 O ATOM 0 H GLU A 34 5.449 3.089 -22.034 1.00 65.00 H new ATOM 0 HA GLU A 34 3.851 5.227 -23.184 1.00 44.40 H new ATOM 0 HB2 GLU A 34 2.301 3.300 -23.695 1.00 41.32 H new ATOM 0 HB3 GLU A 34 3.912 3.126 -24.363 1.00 41.32 H new ATOM 0 HG2 GLU A 34 4.520 1.640 -22.446 1.00 24.10 H new ATOM 0 HG3 GLU A 34 2.882 1.780 -21.840 1.00 24.10 H new ATOM 541 N THR A 35 3.037 3.902 -20.288 1.00 60.45 N ATOM 542 CA THR A 35 2.114 4.014 -19.145 1.00 12.54 C ATOM 543 C THR A 35 2.363 5.280 -18.308 1.00 64.22 C ATOM 544 O THR A 35 1.422 6.002 -17.966 1.00 52.23 O ATOM 545 CB THR A 35 2.205 2.779 -18.213 1.00 71.53 C ATOM 546 OG1 THR A 35 3.531 2.662 -17.666 1.00 41.02 O ATOM 547 CG2 THR A 35 1.846 1.499 -18.963 1.00 32.22 C ATOM 0 H THR A 35 3.816 3.261 -20.137 1.00 60.45 H new ATOM 0 HA THR A 35 1.116 4.073 -19.580 1.00 12.54 H new ATOM 0 HB THR A 35 1.491 2.919 -17.402 1.00 71.53 H new ATOM 0 HG1 THR A 35 3.582 3.157 -16.822 1.00 41.02 H new ATOM 0 HG21 THR A 35 1.918 0.648 -18.286 1.00 32.22 H new ATOM 0 HG22 THR A 35 0.828 1.574 -19.344 1.00 32.22 H new ATOM 0 HG23 THR A 35 2.536 1.359 -19.795 1.00 32.22 H new ATOM 555 N ASP A 36 3.628 5.544 -17.976 1.00 70.20 N ATOM 556 CA ASP A 36 3.993 6.698 -17.138 1.00 74.41 C ATOM 557 C ASP A 36 4.996 7.624 -17.865 1.00 14.33 C ATOM 558 O ASP A 36 6.201 7.578 -17.610 1.00 13.24 O ATOM 559 CB ASP A 36 4.587 6.214 -15.805 1.00 4.23 C ATOM 560 CG ASP A 36 3.646 5.288 -15.051 1.00 34.11 C ATOM 561 OD1 ASP A 36 2.804 5.787 -14.273 1.00 54.15 O ATOM 562 OD2 ASP A 36 3.734 4.057 -15.246 1.00 45.30 O ATOM 0 H ASP A 36 4.421 4.976 -18.273 1.00 70.20 H new ATOM 0 HA ASP A 36 3.088 7.273 -16.940 1.00 74.41 H new ATOM 0 HB2 ASP A 36 5.526 5.695 -15.996 1.00 4.23 H new ATOM 0 HB3 ASP A 36 4.821 7.076 -15.181 1.00 4.23 H new ATOM 567 N PRO A 37 4.509 8.480 -18.787 1.00 62.32 N ATOM 568 CA PRO A 37 5.379 9.359 -19.596 1.00 71.12 C ATOM 569 C PRO A 37 5.958 10.551 -18.810 1.00 42.03 C ATOM 570 O PRO A 37 6.903 11.201 -19.259 1.00 45.31 O ATOM 571 CB PRO A 37 4.438 9.852 -20.701 1.00 54.12 C ATOM 572 CG PRO A 37 3.082 9.826 -20.079 1.00 14.52 C ATOM 573 CD PRO A 37 3.081 8.654 -19.128 1.00 64.42 C ATOM 0 HA PRO A 37 6.260 8.826 -19.955 1.00 71.12 H new ATOM 0 HB2 PRO A 37 4.704 10.857 -21.030 1.00 54.12 H new ATOM 0 HB3 PRO A 37 4.484 9.207 -21.578 1.00 54.12 H new ATOM 0 HG2 PRO A 37 2.878 10.757 -19.550 1.00 14.52 H new ATOM 0 HG3 PRO A 37 2.307 9.713 -20.837 1.00 14.52 H new ATOM 0 HD2 PRO A 37 2.479 8.857 -18.242 1.00 64.42 H new ATOM 0 HD3 PRO A 37 2.669 7.760 -19.595 1.00 64.42 H new ATOM 581 N ASP A 38 5.388 10.838 -17.640 1.00 72.32 N ATOM 582 CA ASP A 38 5.852 11.956 -16.812 1.00 24.01 C ATOM 583 C ASP A 38 7.065 11.559 -15.950 1.00 11.02 C ATOM 584 O ASP A 38 7.674 12.403 -15.284 1.00 41.12 O ATOM 585 CB ASP A 38 4.711 12.461 -15.922 1.00 43.33 C ATOM 586 CG ASP A 38 4.240 11.417 -14.925 1.00 14.14 C ATOM 587 OD1 ASP A 38 3.443 10.532 -15.310 1.00 70.03 O ATOM 588 OD2 ASP A 38 4.665 11.476 -13.752 1.00 33.04 O ATOM 0 H ASP A 38 4.607 10.315 -17.243 1.00 72.32 H new ATOM 0 HA ASP A 38 6.169 12.757 -17.480 1.00 24.01 H new ATOM 0 HB2 ASP A 38 5.042 13.349 -15.383 1.00 43.33 H new ATOM 0 HB3 ASP A 38 3.872 12.763 -16.550 1.00 43.33 H new ATOM 593 N TYR A 39 7.413 10.274 -15.967 1.00 0.12 N ATOM 594 CA TYR A 39 8.536 9.764 -15.179 1.00 72.24 C ATOM 595 C TYR A 39 9.798 9.635 -16.056 1.00 14.40 C ATOM 596 O TYR A 39 10.036 8.598 -16.684 1.00 62.31 O ATOM 597 CB TYR A 39 8.156 8.409 -14.555 1.00 61.24 C ATOM 598 CG TYR A 39 9.037 7.995 -13.392 1.00 0.00 C ATOM 599 CD1 TYR A 39 9.018 8.709 -12.198 1.00 21.51 C ATOM 600 CD2 TYR A 39 9.877 6.891 -13.480 1.00 31.03 C ATOM 601 CE1 TYR A 39 9.809 8.337 -11.130 1.00 44.34 C ATOM 602 CE2 TYR A 39 10.670 6.514 -12.415 1.00 1.51 C ATOM 603 CZ TYR A 39 10.633 7.240 -11.242 1.00 73.43 C ATOM 604 OH TYR A 39 11.430 6.869 -10.180 1.00 23.33 O ATOM 0 H TYR A 39 6.932 9.564 -16.519 1.00 0.12 H new ATOM 0 HA TYR A 39 8.760 10.467 -14.377 1.00 72.24 H new ATOM 0 HB2 TYR A 39 7.121 8.455 -14.215 1.00 61.24 H new ATOM 0 HB3 TYR A 39 8.204 7.640 -15.326 1.00 61.24 H new ATOM 0 HD1 TYR A 39 8.373 9.570 -12.105 1.00 21.51 H new ATOM 0 HD2 TYR A 39 9.910 6.319 -14.396 1.00 31.03 H new ATOM 0 HE1 TYR A 39 9.782 8.904 -10.211 1.00 44.34 H new ATOM 0 HE2 TYR A 39 11.317 5.654 -12.499 1.00 1.51 H new ATOM 0 HH TYR A 39 11.949 6.074 -10.423 1.00 23.33 H new ATOM 614 N VAL A 40 10.599 10.700 -16.099 1.00 64.00 N ATOM 615 CA VAL A 40 11.763 10.766 -16.995 1.00 23.11 C ATOM 616 C VAL A 40 12.849 9.744 -16.621 1.00 53.40 C ATOM 617 O VAL A 40 13.560 9.237 -17.496 1.00 44.11 O ATOM 618 CB VAL A 40 12.376 12.187 -17.018 1.00 71.00 C ATOM 619 CG1 VAL A 40 13.514 12.266 -18.037 1.00 53.44 C ATOM 620 CG2 VAL A 40 11.299 13.231 -17.318 1.00 32.11 C ATOM 0 H VAL A 40 10.466 11.532 -15.524 1.00 64.00 H new ATOM 0 HA VAL A 40 11.394 10.518 -17.990 1.00 23.11 H new ATOM 0 HB VAL A 40 12.790 12.401 -16.033 1.00 71.00 H new ATOM 0 HG11 VAL A 40 13.932 13.273 -18.038 1.00 53.44 H new ATOM 0 HG12 VAL A 40 14.292 11.551 -17.770 1.00 53.44 H new ATOM 0 HG13 VAL A 40 13.130 12.031 -19.030 1.00 53.44 H new ATOM 0 HG21 VAL A 40 11.748 14.224 -17.330 1.00 32.11 H new ATOM 0 HG22 VAL A 40 10.852 13.023 -18.290 1.00 32.11 H new ATOM 0 HG23 VAL A 40 10.529 13.191 -16.548 1.00 32.11 H new ATOM 630 N GLY A 41 12.968 9.439 -15.325 1.00 33.25 N ATOM 631 CA GLY A 41 13.941 8.448 -14.860 1.00 23.22 C ATOM 632 C GLY A 41 13.922 7.155 -15.673 1.00 54.33 C ATOM 633 O GLY A 41 14.963 6.526 -15.890 1.00 44.24 O ATOM 0 H GLY A 41 12.407 9.861 -14.585 1.00 33.25 H new ATOM 0 HA2 GLY A 41 14.940 8.882 -14.904 1.00 23.22 H new ATOM 0 HA3 GLY A 41 13.740 8.215 -13.814 1.00 23.22 H new ATOM 637 N THR A 42 12.736 6.762 -16.127 1.00 4.24 N ATOM 638 CA THR A 42 12.583 5.591 -16.995 1.00 73.32 C ATOM 639 C THR A 42 13.374 5.749 -18.300 1.00 45.54 C ATOM 640 O THR A 42 14.201 4.906 -18.641 1.00 50.31 O ATOM 641 CB THR A 42 11.100 5.343 -17.362 1.00 4.32 C ATOM 642 OG1 THR A 42 10.333 5.070 -16.180 1.00 51.41 O ATOM 643 CG2 THR A 42 10.967 4.184 -18.348 1.00 23.44 C ATOM 0 H THR A 42 11.860 7.238 -15.909 1.00 4.24 H new ATOM 0 HA THR A 42 12.969 4.744 -16.429 1.00 73.32 H new ATOM 0 HB THR A 42 10.715 6.245 -17.837 1.00 4.32 H new ATOM 0 HG1 THR A 42 9.412 5.380 -16.309 1.00 51.41 H new ATOM 0 HG21 THR A 42 9.915 4.031 -18.589 1.00 23.44 H new ATOM 0 HG22 THR A 42 11.518 4.416 -19.259 1.00 23.44 H new ATOM 0 HG23 THR A 42 11.372 3.277 -17.900 1.00 23.44 H new ATOM 651 N TYR A 43 13.121 6.847 -19.013 1.00 33.03 N ATOM 652 CA TYR A 43 13.711 7.080 -20.338 1.00 63.10 C ATOM 653 C TYR A 43 15.247 7.048 -20.311 1.00 43.24 C ATOM 654 O TYR A 43 15.878 6.436 -21.173 1.00 3.44 O ATOM 655 CB TYR A 43 13.226 8.420 -20.905 1.00 62.15 C ATOM 656 CG TYR A 43 11.735 8.460 -21.179 1.00 23.32 C ATOM 657 CD1 TYR A 43 11.218 7.958 -22.366 1.00 40.22 C ATOM 658 CD2 TYR A 43 10.844 8.996 -20.254 1.00 34.51 C ATOM 659 CE1 TYR A 43 9.864 7.990 -22.625 1.00 24.43 C ATOM 660 CE2 TYR A 43 9.486 9.030 -20.507 1.00 21.23 C ATOM 661 CZ TYR A 43 9.001 8.525 -21.694 1.00 71.40 C ATOM 662 OH TYR A 43 7.650 8.560 -21.956 1.00 34.43 O ATOM 0 H TYR A 43 12.507 7.596 -18.694 1.00 33.03 H new ATOM 0 HA TYR A 43 13.381 6.266 -20.983 1.00 63.10 H new ATOM 0 HB2 TYR A 43 13.479 9.215 -20.203 1.00 62.15 H new ATOM 0 HB3 TYR A 43 13.763 8.629 -21.830 1.00 62.15 H new ATOM 0 HD1 TYR A 43 11.888 7.535 -23.099 1.00 40.22 H new ATOM 0 HD2 TYR A 43 11.220 9.392 -19.322 1.00 34.51 H new ATOM 0 HE1 TYR A 43 9.481 7.597 -23.555 1.00 24.43 H new ATOM 0 HE2 TYR A 43 8.808 9.450 -19.778 1.00 21.23 H new ATOM 0 HH TYR A 43 7.281 7.655 -21.891 1.00 34.43 H new ATOM 672 N TYR A 44 15.842 7.703 -19.319 1.00 31.24 N ATOM 673 CA TYR A 44 17.305 7.770 -19.218 1.00 22.24 C ATOM 674 C TYR A 44 17.926 6.380 -19.014 1.00 61.14 C ATOM 675 O TYR A 44 18.827 5.976 -19.748 1.00 3.32 O ATOM 676 CB TYR A 44 17.727 8.707 -18.076 1.00 43.53 C ATOM 677 CG TYR A 44 19.231 8.911 -17.993 1.00 52.22 C ATOM 678 CD1 TYR A 44 19.906 9.618 -18.982 1.00 31.32 C ATOM 679 CD2 TYR A 44 19.976 8.393 -16.936 1.00 24.10 C ATOM 680 CE1 TYR A 44 21.272 9.800 -18.923 1.00 15.13 C ATOM 681 CE2 TYR A 44 21.344 8.576 -16.872 1.00 31.34 C ATOM 682 CZ TYR A 44 21.985 9.278 -17.870 1.00 5.12 C ATOM 683 OH TYR A 44 23.346 9.455 -17.816 1.00 32.50 O ATOM 0 H TYR A 44 15.343 8.193 -18.577 1.00 31.24 H new ATOM 0 HA TYR A 44 17.676 8.168 -20.162 1.00 22.24 H new ATOM 0 HB2 TYR A 44 17.243 9.674 -18.211 1.00 43.53 H new ATOM 0 HB3 TYR A 44 17.369 8.300 -17.130 1.00 43.53 H new ATOM 0 HD1 TYR A 44 19.351 10.032 -19.811 1.00 31.32 H new ATOM 0 HD2 TYR A 44 19.477 7.840 -16.154 1.00 24.10 H new ATOM 0 HE1 TYR A 44 21.780 10.351 -19.701 1.00 15.13 H new ATOM 0 HE2 TYR A 44 21.908 8.171 -16.045 1.00 31.34 H new ATOM 0 HH TYR A 44 23.700 9.026 -17.009 1.00 32.50 H new ATOM 693 N HIS A 45 17.433 5.644 -18.019 1.00 2.05 N ATOM 694 CA HIS A 45 17.995 4.326 -17.692 1.00 63.12 C ATOM 695 C HIS A 45 17.631 3.266 -18.747 1.00 52.34 C ATOM 696 O HIS A 45 18.410 2.348 -19.005 1.00 55.00 O ATOM 697 CB HIS A 45 17.545 3.887 -16.295 1.00 53.32 C ATOM 698 CG HIS A 45 18.077 4.767 -15.203 1.00 2.21 C ATOM 699 ND1 HIS A 45 19.200 4.458 -14.464 1.00 73.30 N ATOM 700 CD2 HIS A 45 17.638 5.955 -14.727 1.00 64.20 C ATOM 701 CE1 HIS A 45 19.423 5.414 -13.583 1.00 74.55 C ATOM 702 NE2 HIS A 45 18.490 6.333 -13.723 1.00 54.32 N ATOM 0 H HIS A 45 16.653 5.931 -17.428 1.00 2.05 H new ATOM 0 HA HIS A 45 19.081 4.419 -17.697 1.00 63.12 H new ATOM 0 HB2 HIS A 45 16.456 3.885 -16.254 1.00 53.32 H new ATOM 0 HB3 HIS A 45 17.872 2.862 -16.120 1.00 53.32 H new ATOM 0 HD2 HIS A 45 16.775 6.504 -15.074 1.00 64.20 H new ATOM 0 HE1 HIS A 45 20.233 5.439 -12.869 1.00 74.55 H new ATOM 0 HE2 HIS A 45 18.414 7.188 -13.173 1.00 54.32 H new ATOM 711 N LEU A 46 16.453 3.400 -19.360 1.00 33.12 N ATOM 712 CA LEU A 46 16.065 2.528 -20.475 1.00 21.23 C ATOM 713 C LEU A 46 17.045 2.683 -21.643 1.00 54.33 C ATOM 714 O LEU A 46 17.494 1.696 -22.230 1.00 22.24 O ATOM 715 CB LEU A 46 14.635 2.840 -20.943 1.00 52.54 C ATOM 716 CG LEU A 46 14.190 2.112 -22.225 1.00 33.43 C ATOM 717 CD1 LEU A 46 14.298 0.599 -22.062 1.00 42.12 C ATOM 718 CD2 LEU A 46 12.770 2.513 -22.608 1.00 71.35 C ATOM 0 H LEU A 46 15.754 4.098 -19.107 1.00 33.12 H new ATOM 0 HA LEU A 46 16.096 1.497 -20.123 1.00 21.23 H new ATOM 0 HB2 LEU A 46 13.943 2.584 -20.140 1.00 52.54 H new ATOM 0 HB3 LEU A 46 14.550 3.914 -21.106 1.00 52.54 H new ATOM 0 HG LEU A 46 14.860 2.412 -23.031 1.00 33.43 H new ATOM 0 HD11 LEU A 46 13.978 0.110 -22.982 1.00 42.12 H new ATOM 0 HD12 LEU A 46 15.332 0.329 -21.849 1.00 42.12 H new ATOM 0 HD13 LEU A 46 13.661 0.275 -21.239 1.00 42.12 H new ATOM 0 HD21 LEU A 46 12.476 1.987 -23.516 1.00 71.35 H new ATOM 0 HD22 LEU A 46 12.087 2.251 -21.800 1.00 71.35 H new ATOM 0 HD23 LEU A 46 12.730 3.588 -22.782 1.00 71.35 H new ATOM 730 N GLY A 47 17.376 3.931 -21.969 1.00 4.35 N ATOM 731 CA GLY A 47 18.384 4.198 -22.984 1.00 53.44 C ATOM 732 C GLY A 47 19.716 3.524 -22.669 1.00 42.31 C ATOM 733 O GLY A 47 20.318 2.892 -23.535 1.00 25.42 O ATOM 0 H GLY A 47 16.964 4.763 -21.548 1.00 4.35 H new ATOM 0 HA2 GLY A 47 18.023 3.850 -23.952 1.00 53.44 H new ATOM 0 HA3 GLY A 47 18.535 5.274 -23.069 1.00 53.44 H new ATOM 737 N LYS A 48 20.168 3.645 -21.418 1.00 44.14 N ATOM 738 CA LYS A 48 21.407 2.991 -20.973 1.00 42.13 C ATOM 739 C LYS A 48 21.337 1.464 -21.174 1.00 10.23 C ATOM 740 O LYS A 48 22.324 0.826 -21.559 1.00 31.31 O ATOM 741 CB LYS A 48 21.688 3.302 -19.491 1.00 31.35 C ATOM 742 CG LYS A 48 21.641 4.789 -19.135 1.00 34.22 C ATOM 743 CD LYS A 48 22.651 5.634 -19.920 1.00 1.54 C ATOM 744 CE LYS A 48 24.096 5.381 -19.491 1.00 55.10 C ATOM 745 NZ LYS A 48 24.622 4.074 -19.973 1.00 65.05 N ATOM 0 H LYS A 48 19.697 4.188 -20.694 1.00 44.14 H new ATOM 0 HA LYS A 48 22.220 3.387 -21.582 1.00 42.13 H new ATOM 0 HB2 LYS A 48 20.960 2.771 -18.877 1.00 31.35 H new ATOM 0 HB3 LYS A 48 22.671 2.910 -19.231 1.00 31.35 H new ATOM 0 HG2 LYS A 48 20.637 5.169 -19.323 1.00 34.22 H new ATOM 0 HG3 LYS A 48 21.832 4.906 -18.068 1.00 34.22 H new ATOM 0 HD2 LYS A 48 22.550 5.418 -20.984 1.00 1.54 H new ATOM 0 HD3 LYS A 48 22.417 6.690 -19.785 1.00 1.54 H new ATOM 0 HE2 LYS A 48 24.728 6.184 -19.870 1.00 55.10 H new ATOM 0 HE3 LYS A 48 24.158 5.413 -18.403 1.00 55.10 H new ATOM 0 HZ1 LYS A 48 25.643 4.156 -20.154 1.00 65.05 H new ATOM 0 HZ2 LYS A 48 24.456 3.345 -19.250 1.00 65.05 H new ATOM 0 HZ3 LYS A 48 24.135 3.807 -20.852 1.00 65.05 H new ATOM 759 N LEU A 49 20.166 0.885 -20.900 1.00 45.12 N ATOM 760 CA LEU A 49 19.938 -0.548 -21.114 1.00 61.43 C ATOM 761 C LEU A 49 20.009 -0.893 -22.612 1.00 51.23 C ATOM 762 O LEU A 49 20.552 -1.930 -22.996 1.00 25.53 O ATOM 763 CB LEU A 49 18.582 -0.967 -20.519 1.00 14.34 C ATOM 764 CG LEU A 49 18.249 -2.469 -20.602 1.00 53.42 C ATOM 765 CD1 LEU A 49 19.356 -3.311 -19.973 1.00 12.33 C ATOM 766 CD2 LEU A 49 16.911 -2.755 -19.928 1.00 32.12 C ATOM 0 H LEU A 49 19.359 1.386 -20.529 1.00 45.12 H new ATOM 0 HA LEU A 49 20.724 -1.104 -20.604 1.00 61.43 H new ATOM 0 HB2 LEU A 49 18.558 -0.666 -19.472 1.00 14.34 H new ATOM 0 HB3 LEU A 49 17.795 -0.411 -21.029 1.00 14.34 H new ATOM 0 HG LEU A 49 18.175 -2.742 -21.655 1.00 53.42 H new ATOM 0 HD11 LEU A 49 19.096 -4.367 -20.045 1.00 12.33 H new ATOM 0 HD12 LEU A 49 20.293 -3.132 -20.500 1.00 12.33 H new ATOM 0 HD13 LEU A 49 19.471 -3.036 -18.924 1.00 12.33 H new ATOM 0 HD21 LEU A 49 16.690 -3.820 -19.995 1.00 32.12 H new ATOM 0 HD22 LEU A 49 16.961 -2.460 -18.880 1.00 32.12 H new ATOM 0 HD23 LEU A 49 16.124 -2.189 -20.427 1.00 32.12 H new ATOM 778 N TYR A 50 19.476 -0.009 -23.455 1.00 45.31 N ATOM 779 CA TYR A 50 19.579 -0.174 -24.909 1.00 44.45 C ATOM 780 C TYR A 50 21.040 -0.104 -25.379 1.00 71.34 C ATOM 781 O TYR A 50 21.486 -0.953 -26.151 1.00 54.02 O ATOM 782 CB TYR A 50 18.738 0.881 -25.644 1.00 33.35 C ATOM 783 CG TYR A 50 17.265 0.534 -25.754 1.00 42.22 C ATOM 784 CD1 TYR A 50 16.866 -0.736 -26.156 1.00 62.35 C ATOM 785 CD2 TYR A 50 16.277 1.477 -25.488 1.00 2.22 C ATOM 786 CE1 TYR A 50 15.531 -1.057 -26.288 1.00 15.10 C ATOM 787 CE2 TYR A 50 14.937 1.160 -25.613 1.00 63.02 C ATOM 788 CZ TYR A 50 14.571 -0.108 -26.015 1.00 72.42 C ATOM 789 OH TYR A 50 13.240 -0.429 -26.155 1.00 52.15 O ATOM 0 H TYR A 50 18.970 0.826 -23.160 1.00 45.31 H new ATOM 0 HA TYR A 50 19.189 -1.163 -25.151 1.00 44.45 H new ATOM 0 HB2 TYR A 50 18.838 1.835 -25.126 1.00 33.35 H new ATOM 0 HB3 TYR A 50 19.143 1.019 -26.646 1.00 33.35 H new ATOM 0 HD1 TYR A 50 17.615 -1.485 -26.369 1.00 62.35 H new ATOM 0 HD2 TYR A 50 16.561 2.472 -25.179 1.00 2.22 H new ATOM 0 HE1 TYR A 50 15.240 -2.048 -26.604 1.00 15.10 H new ATOM 0 HE2 TYR A 50 14.181 1.901 -25.397 1.00 63.02 H new ATOM 0 HH TYR A 50 12.690 0.348 -25.923 1.00 52.15 H new ATOM 799 N GLU A 51 21.779 0.904 -24.907 1.00 35.13 N ATOM 800 CA GLU A 51 23.216 1.027 -25.204 1.00 34.22 C ATOM 801 C GLU A 51 23.959 -0.270 -24.836 1.00 13.51 C ATOM 802 O GLU A 51 24.862 -0.718 -25.548 1.00 34.13 O ATOM 803 CB GLU A 51 23.827 2.207 -24.426 1.00 32.45 C ATOM 804 CG GLU A 51 23.154 3.556 -24.684 1.00 61.35 C ATOM 805 CD GLU A 51 23.721 4.683 -23.824 1.00 60.25 C ATOM 806 OE1 GLU A 51 24.233 4.405 -22.714 1.00 42.14 O ATOM 807 OE2 GLU A 51 23.648 5.857 -24.241 1.00 51.44 O ATOM 0 H GLU A 51 21.409 1.649 -24.317 1.00 35.13 H new ATOM 0 HA GLU A 51 23.325 1.208 -26.273 1.00 34.22 H new ATOM 0 HB2 GLU A 51 23.775 1.988 -23.360 1.00 32.45 H new ATOM 0 HB3 GLU A 51 24.883 2.287 -24.684 1.00 32.45 H new ATOM 0 HG2 GLU A 51 23.269 3.817 -25.736 1.00 61.35 H new ATOM 0 HG3 GLU A 51 22.085 3.464 -24.493 1.00 61.35 H new ATOM 814 N ARG A 52 23.560 -0.864 -23.710 1.00 12.04 N ATOM 815 CA ARG A 52 24.110 -2.146 -23.254 1.00 73.34 C ATOM 816 C ARG A 52 23.780 -3.287 -24.234 1.00 43.10 C ATOM 817 O ARG A 52 24.649 -4.077 -24.599 1.00 3.23 O ATOM 818 CB ARG A 52 23.559 -2.477 -21.858 1.00 50.24 C ATOM 819 CG ARG A 52 23.894 -3.883 -21.369 1.00 21.23 C ATOM 820 CD ARG A 52 23.307 -4.162 -19.990 1.00 62.22 C ATOM 821 NE ARG A 52 23.517 -5.549 -19.580 1.00 33.33 N ATOM 822 CZ ARG A 52 23.502 -5.962 -18.341 1.00 13.03 C ATOM 823 NH1 ARG A 52 23.296 -5.129 -17.369 1.00 60.33 N ATOM 824 NH2 ARG A 52 23.685 -7.218 -18.079 1.00 52.12 N ATOM 0 H ARG A 52 22.850 -0.474 -23.090 1.00 12.04 H new ATOM 0 HA ARG A 52 25.195 -2.051 -23.210 1.00 73.34 H new ATOM 0 HB2 ARG A 52 23.952 -1.753 -21.144 1.00 50.24 H new ATOM 0 HB3 ARG A 52 22.476 -2.357 -21.870 1.00 50.24 H new ATOM 0 HG2 ARG A 52 23.512 -4.615 -22.081 1.00 21.23 H new ATOM 0 HG3 ARG A 52 24.976 -4.007 -21.334 1.00 21.23 H new ATOM 0 HD2 ARG A 52 23.763 -3.494 -19.259 1.00 62.22 H new ATOM 0 HD3 ARG A 52 22.239 -3.943 -19.999 1.00 62.22 H new ATOM 0 HE ARG A 52 23.687 -6.241 -20.310 1.00 33.33 H new ATOM 0 HH11 ARG A 52 23.144 -4.140 -17.568 1.00 60.33 H new ATOM 0 HH12 ARG A 52 23.286 -5.462 -16.405 1.00 60.33 H new ATOM 0 HH21 ARG A 52 23.840 -7.880 -18.839 1.00 52.12 H new ATOM 0 HH22 ARG A 52 23.674 -7.544 -17.113 1.00 52.12 H new ATOM 838 N LEU A 53 22.522 -3.354 -24.668 1.00 25.02 N ATOM 839 CA LEU A 53 22.063 -4.423 -25.567 1.00 5.25 C ATOM 840 C LEU A 53 22.415 -4.138 -27.041 1.00 22.51 C ATOM 841 O LEU A 53 21.852 -4.760 -27.947 1.00 64.43 O ATOM 842 CB LEU A 53 20.545 -4.609 -25.422 1.00 52.41 C ATOM 843 CG LEU A 53 20.057 -4.965 -24.007 1.00 13.34 C ATOM 844 CD1 LEU A 53 18.540 -5.129 -23.986 1.00 52.42 C ATOM 845 CD2 LEU A 53 20.745 -6.230 -23.493 1.00 42.03 C ATOM 0 H LEU A 53 21.798 -2.682 -24.414 1.00 25.02 H new ATOM 0 HA LEU A 53 22.581 -5.338 -25.278 1.00 5.25 H new ATOM 0 HB2 LEU A 53 20.051 -3.690 -25.738 1.00 52.41 H new ATOM 0 HB3 LEU A 53 20.225 -5.394 -26.107 1.00 52.41 H new ATOM 0 HG LEU A 53 20.322 -4.143 -23.342 1.00 13.34 H new ATOM 0 HD11 LEU A 53 18.215 -5.381 -22.976 1.00 52.42 H new ATOM 0 HD12 LEU A 53 18.069 -4.197 -24.297 1.00 52.42 H new ATOM 0 HD13 LEU A 53 18.251 -5.927 -24.670 1.00 52.42 H new ATOM 0 HD21 LEU A 53 20.383 -6.460 -22.491 1.00 42.03 H new ATOM 0 HD22 LEU A 53 20.521 -7.063 -24.160 1.00 42.03 H new ATOM 0 HD23 LEU A 53 21.823 -6.071 -23.461 1.00 42.03 H new ATOM 857 N ASP A 54 23.341 -3.196 -27.265 1.00 55.44 N ATOM 858 CA ASP A 54 23.805 -2.832 -28.616 1.00 61.04 C ATOM 859 C ASP A 54 22.694 -2.125 -29.427 1.00 41.41 C ATOM 860 O ASP A 54 22.826 -1.891 -30.628 1.00 71.14 O ATOM 861 CB ASP A 54 24.318 -4.087 -29.349 1.00 12.30 C ATOM 862 CG ASP A 54 25.060 -3.771 -30.638 1.00 42.44 C ATOM 863 OD1 ASP A 54 26.225 -3.327 -30.563 1.00 14.24 O ATOM 864 OD2 ASP A 54 24.490 -3.976 -31.730 1.00 31.20 O ATOM 0 H ASP A 54 23.790 -2.665 -26.519 1.00 55.44 H new ATOM 0 HA ASP A 54 24.627 -2.123 -28.518 1.00 61.04 H new ATOM 0 HB2 ASP A 54 24.980 -4.642 -28.684 1.00 12.30 H new ATOM 0 HB3 ASP A 54 23.473 -4.738 -29.575 1.00 12.30 H new ATOM 869 N ARG A 55 21.610 -1.758 -28.748 1.00 74.13 N ATOM 870 CA ARG A 55 20.480 -1.076 -29.384 1.00 44.20 C ATOM 871 C ARG A 55 20.676 0.450 -29.361 1.00 51.54 C ATOM 872 O ARG A 55 19.851 1.189 -28.818 1.00 42.41 O ATOM 873 CB ARG A 55 19.178 -1.453 -28.664 1.00 41.30 C ATOM 874 CG ARG A 55 18.891 -2.952 -28.642 1.00 75.41 C ATOM 875 CD ARG A 55 18.675 -3.514 -30.043 1.00 20.13 C ATOM 876 NE ARG A 55 17.608 -2.809 -30.753 1.00 33.20 N ATOM 877 CZ ARG A 55 16.574 -3.381 -31.308 1.00 32.04 C ATOM 878 NH1 ARG A 55 16.414 -4.667 -31.266 1.00 51.31 N ATOM 879 NH2 ARG A 55 15.691 -2.650 -31.905 1.00 11.35 N ATOM 0 H ARG A 55 21.488 -1.922 -27.749 1.00 74.13 H new ATOM 0 HA ARG A 55 20.423 -1.394 -30.425 1.00 44.20 H new ATOM 0 HB2 ARG A 55 19.223 -1.087 -27.638 1.00 41.30 H new ATOM 0 HB3 ARG A 55 18.346 -0.941 -29.148 1.00 41.30 H new ATOM 0 HG2 ARG A 55 19.722 -3.473 -28.167 1.00 75.41 H new ATOM 0 HG3 ARG A 55 18.006 -3.143 -28.035 1.00 75.41 H new ATOM 0 HD2 ARG A 55 19.602 -3.438 -30.612 1.00 20.13 H new ATOM 0 HD3 ARG A 55 18.428 -4.574 -29.975 1.00 20.13 H new ATOM 0 HE ARG A 55 17.677 -1.794 -30.820 1.00 33.20 H new ATOM 0 HH11 ARG A 55 17.103 -5.251 -30.793 1.00 51.31 H new ATOM 0 HH12 ARG A 55 15.599 -5.094 -31.706 1.00 51.31 H new ATOM 0 HH21 ARG A 55 15.806 -1.637 -31.939 1.00 11.35 H new ATOM 0 HH22 ARG A 55 14.879 -3.086 -32.342 1.00 11.35 H new ATOM 893 N THR A 56 21.770 0.914 -29.963 1.00 42.12 N ATOM 894 CA THR A 56 22.117 2.345 -29.972 1.00 50.20 C ATOM 895 C THR A 56 20.981 3.206 -30.548 1.00 12.13 C ATOM 896 O THR A 56 20.634 4.247 -29.988 1.00 61.21 O ATOM 897 CB THR A 56 23.409 2.609 -30.789 1.00 61.21 C ATOM 898 OG1 THR A 56 24.479 1.786 -30.300 1.00 34.25 O ATOM 899 CG2 THR A 56 23.826 4.078 -30.713 1.00 43.13 C ATOM 0 H THR A 56 22.438 0.321 -30.455 1.00 42.12 H new ATOM 0 HA THR A 56 22.282 2.626 -28.932 1.00 50.20 H new ATOM 0 HB THR A 56 23.199 2.362 -31.830 1.00 61.21 H new ATOM 0 HG1 THR A 56 25.290 1.958 -30.823 1.00 34.25 H new ATOM 0 HG21 THR A 56 24.735 4.229 -31.296 1.00 43.13 H new ATOM 0 HG22 THR A 56 23.029 4.704 -31.115 1.00 43.13 H new ATOM 0 HG23 THR A 56 24.012 4.350 -29.674 1.00 43.13 H new ATOM 907 N ASP A 57 20.401 2.763 -31.663 1.00 60.21 N ATOM 908 CA ASP A 57 19.313 3.503 -32.319 1.00 24.05 C ATOM 909 C ASP A 57 18.097 3.665 -31.388 1.00 41.22 C ATOM 910 O ASP A 57 17.575 4.770 -31.220 1.00 53.05 O ATOM 911 CB ASP A 57 18.902 2.799 -33.616 1.00 31.05 C ATOM 912 CG ASP A 57 20.042 2.737 -34.618 1.00 42.35 C ATOM 913 OD1 ASP A 57 20.213 3.701 -35.394 1.00 2.04 O ATOM 914 OD2 ASP A 57 20.776 1.727 -34.636 1.00 10.24 O ATOM 0 H ASP A 57 20.663 1.897 -32.134 1.00 60.21 H new ATOM 0 HA ASP A 57 19.683 4.501 -32.556 1.00 24.05 H new ATOM 0 HB2 ASP A 57 18.565 1.788 -33.388 1.00 31.05 H new ATOM 0 HB3 ASP A 57 18.057 3.324 -34.061 1.00 31.05 H new ATOM 919 N ASP A 58 17.657 2.560 -30.786 1.00 21.21 N ATOM 920 CA ASP A 58 16.554 2.587 -29.818 1.00 5.32 C ATOM 921 C ASP A 58 16.867 3.519 -28.637 1.00 14.43 C ATOM 922 O ASP A 58 16.002 4.266 -28.180 1.00 71.45 O ATOM 923 CB ASP A 58 16.274 1.175 -29.300 1.00 61.34 C ATOM 924 CG ASP A 58 15.850 0.224 -30.403 1.00 5.25 C ATOM 925 OD1 ASP A 58 16.716 -0.172 -31.211 1.00 0.24 O ATOM 926 OD2 ASP A 58 14.653 -0.134 -30.462 1.00 14.43 O ATOM 0 H ASP A 58 18.047 1.632 -30.950 1.00 21.21 H new ATOM 0 HA ASP A 58 15.671 2.970 -30.330 1.00 5.32 H new ATOM 0 HB2 ASP A 58 17.169 0.786 -28.814 1.00 61.34 H new ATOM 0 HB3 ASP A 58 15.492 1.218 -28.542 1.00 61.34 H new ATOM 931 N ALA A 59 18.108 3.469 -28.149 1.00 50.03 N ATOM 932 CA ALA A 59 18.551 4.347 -27.061 1.00 31.54 C ATOM 933 C ALA A 59 18.381 5.826 -27.438 1.00 51.45 C ATOM 934 O ALA A 59 17.705 6.583 -26.738 1.00 21.44 O ATOM 935 CB ALA A 59 20.006 4.058 -26.706 1.00 51.43 C ATOM 0 H ALA A 59 18.826 2.829 -28.490 1.00 50.03 H new ATOM 0 HA ALA A 59 17.927 4.145 -26.191 1.00 31.54 H new ATOM 0 HB1 ALA A 59 20.321 4.717 -25.897 1.00 51.43 H new ATOM 0 HB2 ALA A 59 20.104 3.020 -26.387 1.00 51.43 H new ATOM 0 HB3 ALA A 59 20.635 4.230 -27.580 1.00 51.43 H new ATOM 941 N ILE A 60 18.977 6.219 -28.564 1.00 34.44 N ATOM 942 CA ILE A 60 18.885 7.600 -29.060 1.00 45.23 C ATOM 943 C ILE A 60 17.421 8.043 -29.230 1.00 22.33 C ATOM 944 O ILE A 60 17.049 9.158 -28.853 1.00 0.12 O ATOM 945 CB ILE A 60 19.627 7.754 -30.414 1.00 44.33 C ATOM 946 CG1 ILE A 60 21.112 7.382 -30.260 1.00 34.33 C ATOM 947 CG2 ILE A 60 19.480 9.177 -30.956 1.00 13.11 C ATOM 948 CD1 ILE A 60 21.904 7.455 -31.551 1.00 65.03 C ATOM 0 H ILE A 60 19.532 5.600 -29.155 1.00 34.44 H new ATOM 0 HA ILE A 60 19.359 8.238 -28.314 1.00 45.23 H new ATOM 0 HB ILE A 60 19.173 7.070 -31.132 1.00 44.33 H new ATOM 0 HG12 ILE A 60 21.569 8.048 -29.528 1.00 34.33 H new ATOM 0 HG13 ILE A 60 21.183 6.371 -29.859 1.00 34.33 H new ATOM 0 HG21 ILE A 60 20.008 9.261 -31.906 1.00 13.11 H new ATOM 0 HG22 ILE A 60 18.424 9.402 -31.107 1.00 13.11 H new ATOM 0 HG23 ILE A 60 19.903 9.884 -30.242 1.00 13.11 H new ATOM 0 HD11 ILE A 60 22.941 7.178 -31.358 1.00 65.03 H new ATOM 0 HD12 ILE A 60 21.475 6.768 -32.280 1.00 65.03 H new ATOM 0 HD13 ILE A 60 21.867 8.471 -31.944 1.00 65.03 H new ATOM 960 N ASP A 61 16.596 7.158 -29.790 1.00 52.43 N ATOM 961 CA ASP A 61 15.169 7.436 -29.985 1.00 21.54 C ATOM 962 C ASP A 61 14.462 7.663 -28.636 1.00 12.32 C ATOM 963 O ASP A 61 13.710 8.627 -28.468 1.00 33.00 O ATOM 964 CB ASP A 61 14.512 6.273 -30.737 1.00 31.32 C ATOM 965 CG ASP A 61 13.097 6.594 -31.187 1.00 70.21 C ATOM 966 OD1 ASP A 61 12.938 7.464 -32.071 1.00 24.20 O ATOM 967 OD2 ASP A 61 12.141 5.981 -30.665 1.00 63.34 O ATOM 0 H ASP A 61 16.891 6.238 -30.118 1.00 52.43 H new ATOM 0 HA ASP A 61 15.072 8.347 -30.575 1.00 21.54 H new ATOM 0 HB2 ASP A 61 15.117 6.020 -31.607 1.00 31.32 H new ATOM 0 HB3 ASP A 61 14.494 5.393 -30.094 1.00 31.32 H new ATOM 972 N THR A 62 14.725 6.771 -27.677 1.00 4.13 N ATOM 973 CA THR A 62 14.165 6.886 -26.321 1.00 61.14 C ATOM 974 C THR A 62 14.541 8.231 -25.677 1.00 10.10 C ATOM 975 O THR A 62 13.703 8.891 -25.055 1.00 0.54 O ATOM 976 CB THR A 62 14.648 5.730 -25.403 1.00 74.43 C ATOM 977 OG1 THR A 62 14.257 4.464 -25.955 1.00 12.45 O ATOM 978 CG2 THR A 62 14.082 5.859 -23.990 1.00 2.32 C ATOM 0 H THR A 62 15.324 5.957 -27.812 1.00 4.13 H new ATOM 0 HA THR A 62 13.081 6.826 -26.423 1.00 61.14 H new ATOM 0 HB THR A 62 15.735 5.791 -25.345 1.00 74.43 H new ATOM 0 HG1 THR A 62 14.797 4.273 -26.750 1.00 12.45 H new ATOM 0 HG21 THR A 62 14.442 5.033 -23.377 1.00 2.32 H new ATOM 0 HG22 THR A 62 14.407 6.803 -23.553 1.00 2.32 H new ATOM 0 HG23 THR A 62 12.993 5.833 -24.030 1.00 2.32 H new ATOM 986 N TYR A 63 15.805 8.636 -25.835 1.00 64.32 N ATOM 987 CA TYR A 63 16.262 9.944 -25.351 1.00 23.51 C ATOM 988 C TYR A 63 15.540 11.082 -26.086 1.00 61.14 C ATOM 989 O TYR A 63 15.146 12.071 -25.478 1.00 73.15 O ATOM 990 CB TYR A 63 17.777 10.111 -25.545 1.00 11.42 C ATOM 991 CG TYR A 63 18.630 9.081 -24.823 1.00 4.41 C ATOM 992 CD1 TYR A 63 18.403 8.761 -23.486 1.00 31.34 C ATOM 993 CD2 TYR A 63 19.671 8.435 -25.481 1.00 55.11 C ATOM 994 CE1 TYR A 63 19.188 7.828 -22.832 1.00 23.15 C ATOM 995 CE2 TYR A 63 20.458 7.505 -24.834 1.00 21.31 C ATOM 996 CZ TYR A 63 20.214 7.205 -23.512 1.00 11.24 C ATOM 997 OH TYR A 63 21.006 6.284 -22.868 1.00 4.03 O ATOM 0 H TYR A 63 16.528 8.080 -26.292 1.00 64.32 H new ATOM 0 HA TYR A 63 16.029 9.991 -24.287 1.00 23.51 H new ATOM 0 HB2 TYR A 63 18.000 10.064 -26.611 1.00 11.42 H new ATOM 0 HB3 TYR A 63 18.065 11.105 -25.203 1.00 11.42 H new ATOM 0 HD1 TYR A 63 17.601 9.249 -22.952 1.00 31.34 H new ATOM 0 HD2 TYR A 63 19.867 8.666 -26.518 1.00 55.11 H new ATOM 0 HE1 TYR A 63 18.999 7.589 -21.796 1.00 23.15 H new ATOM 0 HE2 TYR A 63 21.262 7.014 -25.362 1.00 21.31 H new ATOM 0 HH TYR A 63 21.928 6.364 -23.189 1.00 4.03 H new ATOM 1007 N ALA A 64 15.381 10.926 -27.402 1.00 10.34 N ATOM 1008 CA ALA A 64 14.732 11.942 -28.243 1.00 3.33 C ATOM 1009 C ALA A 64 13.286 12.225 -27.803 1.00 3.40 C ATOM 1010 O ALA A 64 12.909 13.379 -27.586 1.00 23.05 O ATOM 1011 CB ALA A 64 14.769 11.515 -29.706 1.00 52.41 C ATOM 0 H ALA A 64 15.694 10.101 -27.914 1.00 10.34 H new ATOM 0 HA ALA A 64 15.291 12.870 -28.123 1.00 3.33 H new ATOM 0 HB1 ALA A 64 14.285 12.275 -30.319 1.00 52.41 H new ATOM 0 HB2 ALA A 64 15.805 11.397 -30.024 1.00 52.41 H new ATOM 0 HB3 ALA A 64 14.243 10.567 -29.822 1.00 52.41 H new ATOM 1017 N GLN A 65 12.474 11.174 -27.682 1.00 31.13 N ATOM 1018 CA GLN A 65 11.101 11.316 -27.176 1.00 3.23 C ATOM 1019 C GLN A 65 11.141 11.811 -25.720 1.00 0.14 C ATOM 1020 O GLN A 65 10.345 12.664 -25.305 1.00 72.10 O ATOM 1021 CB GLN A 65 10.360 9.967 -27.277 1.00 41.43 C ATOM 1022 CG GLN A 65 8.833 10.047 -27.138 1.00 3.30 C ATOM 1023 CD GLN A 65 8.345 10.350 -25.728 1.00 55.50 C ATOM 1024 OE1 GLN A 65 7.318 10.988 -25.538 1.00 60.41 O ATOM 1025 NE2 GLN A 65 9.059 9.879 -24.728 1.00 20.30 N ATOM 0 H GLN A 65 12.738 10.219 -27.925 1.00 31.13 H new ATOM 0 HA GLN A 65 10.562 12.046 -27.780 1.00 3.23 H new ATOM 0 HB2 GLN A 65 10.598 9.511 -28.238 1.00 41.43 H new ATOM 0 HB3 GLN A 65 10.745 9.301 -26.505 1.00 41.43 H new ATOM 0 HG2 GLN A 65 8.459 10.817 -27.812 1.00 3.30 H new ATOM 0 HG3 GLN A 65 8.401 9.101 -27.464 1.00 3.30 H new ATOM 0 HE21 GLN A 65 9.911 9.350 -24.914 1.00 20.30 H new ATOM 0 HE22 GLN A 65 8.760 10.043 -23.767 1.00 20.30 H new ATOM 1034 N GLY A 66 12.094 11.274 -24.958 1.00 52.44 N ATOM 1035 CA GLY A 66 12.296 11.704 -23.584 1.00 3.01 C ATOM 1036 C GLY A 66 12.569 13.200 -23.466 1.00 71.11 C ATOM 1037 O GLY A 66 12.096 13.843 -22.539 1.00 42.02 O ATOM 0 H GLY A 66 12.733 10.544 -25.272 1.00 52.44 H new ATOM 0 HA2 GLY A 66 11.413 11.453 -22.996 1.00 3.01 H new ATOM 0 HA3 GLY A 66 13.132 11.152 -23.155 1.00 3.01 H new ATOM 1041 N ILE A 67 13.331 13.750 -24.412 1.00 63.45 N ATOM 1042 CA ILE A 67 13.650 15.186 -24.442 1.00 25.14 C ATOM 1043 C ILE A 67 12.387 16.057 -24.320 1.00 64.25 C ATOM 1044 O ILE A 67 12.353 17.024 -23.551 1.00 54.03 O ATOM 1045 CB ILE A 67 14.418 15.547 -25.748 1.00 64.02 C ATOM 1046 CG1 ILE A 67 15.881 15.076 -25.651 1.00 53.01 C ATOM 1047 CG2 ILE A 67 14.346 17.043 -26.060 1.00 74.43 C ATOM 1048 CD1 ILE A 67 16.709 15.368 -26.885 1.00 62.54 C ATOM 0 H ILE A 67 13.745 13.219 -25.178 1.00 63.45 H new ATOM 0 HA ILE A 67 14.285 15.394 -23.581 1.00 25.14 H new ATOM 0 HB ILE A 67 13.933 15.026 -26.574 1.00 64.02 H new ATOM 0 HG12 ILE A 67 16.349 15.555 -24.791 1.00 53.01 H new ATOM 0 HG13 ILE A 67 15.894 14.002 -25.464 1.00 53.01 H new ATOM 0 HG21 ILE A 67 14.895 17.250 -26.979 1.00 74.43 H new ATOM 0 HG22 ILE A 67 13.304 17.339 -26.185 1.00 74.43 H new ATOM 0 HG23 ILE A 67 14.787 17.608 -25.239 1.00 74.43 H new ATOM 0 HD11 ILE A 67 17.726 15.005 -26.735 1.00 62.54 H new ATOM 0 HD12 ILE A 67 16.268 14.866 -27.746 1.00 62.54 H new ATOM 0 HD13 ILE A 67 16.730 16.443 -27.063 1.00 62.54 H new ATOM 1060 N GLU A 68 11.348 15.694 -25.063 1.00 22.32 N ATOM 1061 CA GLU A 68 10.095 16.452 -25.064 1.00 25.43 C ATOM 1062 C GLU A 68 9.402 16.387 -23.695 1.00 53.44 C ATOM 1063 O GLU A 68 9.151 17.416 -23.061 1.00 4.44 O ATOM 1064 CB GLU A 68 9.160 15.907 -26.151 1.00 51.41 C ATOM 1065 CG GLU A 68 9.800 15.855 -27.536 1.00 61.31 C ATOM 1066 CD GLU A 68 10.273 17.219 -28.020 1.00 60.13 C ATOM 1067 OE1 GLU A 68 9.423 18.043 -28.413 1.00 41.01 O ATOM 1068 OE2 GLU A 68 11.496 17.478 -28.002 1.00 32.41 O ATOM 0 H GLU A 68 11.345 14.878 -25.675 1.00 22.32 H new ATOM 0 HA GLU A 68 10.329 17.496 -25.273 1.00 25.43 H new ATOM 0 HB2 GLU A 68 8.836 14.904 -25.871 1.00 51.41 H new ATOM 0 HB3 GLU A 68 8.266 16.529 -26.196 1.00 51.41 H new ATOM 0 HG2 GLU A 68 10.647 15.169 -27.514 1.00 61.31 H new ATOM 0 HG3 GLU A 68 9.081 15.451 -28.249 1.00 61.31 H new ATOM 1075 N VAL A 69 9.134 15.171 -23.223 1.00 40.43 N ATOM 1076 CA VAL A 69 8.454 14.977 -21.935 1.00 12.42 C ATOM 1077 C VAL A 69 9.336 15.400 -20.746 1.00 33.03 C ATOM 1078 O VAL A 69 8.830 15.754 -19.680 1.00 24.25 O ATOM 1079 CB VAL A 69 7.997 13.507 -21.749 1.00 12.10 C ATOM 1080 CG1 VAL A 69 6.917 13.149 -22.771 1.00 70.31 C ATOM 1081 CG2 VAL A 69 9.182 12.548 -21.859 1.00 33.14 C ATOM 0 H VAL A 69 9.374 14.306 -23.707 1.00 40.43 H new ATOM 0 HA VAL A 69 7.574 15.620 -21.954 1.00 12.42 H new ATOM 0 HB VAL A 69 7.574 13.406 -20.749 1.00 12.10 H new ATOM 0 HG11 VAL A 69 6.608 12.114 -22.626 1.00 70.31 H new ATOM 0 HG12 VAL A 69 6.058 13.806 -22.638 1.00 70.31 H new ATOM 0 HG13 VAL A 69 7.315 13.271 -23.778 1.00 70.31 H new ATOM 0 HG21 VAL A 69 8.835 11.524 -21.725 1.00 33.14 H new ATOM 0 HG22 VAL A 69 9.642 12.649 -22.842 1.00 33.14 H new ATOM 0 HG23 VAL A 69 9.916 12.786 -21.089 1.00 33.14 H new ATOM 1091 N ALA A 70 10.652 15.382 -20.939 1.00 42.43 N ATOM 1092 CA ALA A 70 11.595 15.763 -19.881 1.00 32.42 C ATOM 1093 C ALA A 70 11.433 17.232 -19.485 1.00 52.04 C ATOM 1094 O ALA A 70 11.302 17.551 -18.310 1.00 14.32 O ATOM 1095 CB ALA A 70 13.031 15.502 -20.317 1.00 72.25 C ATOM 0 H ALA A 70 11.094 15.108 -21.817 1.00 42.43 H new ATOM 0 HA ALA A 70 11.369 15.147 -19.010 1.00 32.42 H new ATOM 0 HB1 ALA A 70 13.712 15.792 -19.517 1.00 72.25 H new ATOM 0 HB2 ALA A 70 13.158 14.442 -20.535 1.00 72.25 H new ATOM 0 HB3 ALA A 70 13.252 16.085 -21.211 1.00 72.25 H new ATOM 1101 N ARG A 71 11.440 18.121 -20.473 1.00 64.34 N ATOM 1102 CA ARG A 71 11.325 19.562 -20.214 1.00 42.34 C ATOM 1103 C ARG A 71 9.876 19.993 -19.921 1.00 2.22 C ATOM 1104 O ARG A 71 9.635 20.838 -19.054 1.00 30.41 O ATOM 1105 CB ARG A 71 11.890 20.358 -21.400 1.00 32.54 C ATOM 1106 CG ARG A 71 11.328 19.931 -22.752 1.00 22.44 C ATOM 1107 CD ARG A 71 11.957 20.710 -23.900 1.00 22.43 C ATOM 1108 NE ARG A 71 11.605 20.140 -25.198 1.00 31.02 N ATOM 1109 CZ ARG A 71 11.375 20.845 -26.277 1.00 0.31 C ATOM 1110 NH1 ARG A 71 11.481 22.135 -26.259 1.00 55.33 N ATOM 1111 NH2 ARG A 71 11.068 20.257 -27.388 1.00 72.15 N ATOM 0 H ARG A 71 11.524 17.875 -21.459 1.00 64.34 H new ATOM 0 HA ARG A 71 11.909 19.778 -19.319 1.00 42.34 H new ATOM 0 HB2 ARG A 71 11.680 21.417 -21.248 1.00 32.54 H new ATOM 0 HB3 ARG A 71 12.974 20.247 -21.416 1.00 32.54 H new ATOM 0 HG2 ARG A 71 11.503 18.865 -22.898 1.00 22.44 H new ATOM 0 HG3 ARG A 71 10.248 20.081 -22.760 1.00 22.44 H new ATOM 0 HD2 ARG A 71 11.629 21.749 -23.858 1.00 22.43 H new ATOM 0 HD3 ARG A 71 13.041 20.714 -23.786 1.00 22.43 H new ATOM 0 HE ARG A 71 11.534 19.125 -25.268 1.00 31.02 H new ATOM 0 HH11 ARG A 71 11.746 22.613 -25.398 1.00 55.33 H new ATOM 0 HH12 ARG A 71 11.299 22.674 -27.106 1.00 55.33 H new ATOM 0 HH21 ARG A 71 11.004 19.240 -27.426 1.00 72.15 H new ATOM 0 HH22 ARG A 71 10.890 20.811 -28.226 1.00 72.15 H new ATOM 1125 N GLU A 72 8.911 19.412 -20.632 1.00 32.23 N ATOM 1126 CA GLU A 72 7.506 19.814 -20.482 1.00 74.32 C ATOM 1127 C GLU A 72 6.858 19.211 -19.218 1.00 75.10 C ATOM 1128 O GLU A 72 6.098 19.887 -18.525 1.00 32.13 O ATOM 1129 CB GLU A 72 6.711 19.448 -21.747 1.00 23.23 C ATOM 1130 CG GLU A 72 7.259 20.117 -23.011 1.00 5.52 C ATOM 1131 CD GLU A 72 6.418 19.858 -24.254 1.00 33.21 C ATOM 1132 OE1 GLU A 72 6.461 18.731 -24.785 1.00 51.22 O ATOM 1133 OE2 GLU A 72 5.728 20.792 -24.720 1.00 50.53 O ATOM 0 H GLU A 72 9.069 18.668 -21.312 1.00 32.23 H new ATOM 0 HA GLU A 72 7.482 20.896 -20.356 1.00 74.32 H new ATOM 0 HB2 GLU A 72 6.726 18.366 -21.879 1.00 23.23 H new ATOM 0 HB3 GLU A 72 5.669 19.738 -21.611 1.00 23.23 H new ATOM 0 HG2 GLU A 72 7.323 21.192 -22.844 1.00 5.52 H new ATOM 0 HG3 GLU A 72 8.274 19.761 -23.189 1.00 5.52 H new ATOM 1140 N GLU A 73 7.164 17.950 -18.908 1.00 23.04 N ATOM 1141 CA GLU A 73 6.644 17.309 -17.686 1.00 51.41 C ATOM 1142 C GLU A 73 7.637 17.420 -16.513 1.00 75.03 C ATOM 1143 O GLU A 73 7.266 17.832 -15.415 1.00 11.22 O ATOM 1144 CB GLU A 73 6.308 15.832 -17.948 1.00 33.21 C ATOM 1145 CG GLU A 73 5.175 15.615 -18.948 1.00 42.45 C ATOM 1146 CD GLU A 73 3.848 16.192 -18.474 1.00 32.13 C ATOM 1147 OE1 GLU A 73 3.201 15.574 -17.603 1.00 63.20 O ATOM 1148 OE2 GLU A 73 3.443 17.269 -18.969 1.00 2.03 O ATOM 0 H GLU A 73 7.763 17.352 -19.477 1.00 23.04 H new ATOM 0 HA GLU A 73 5.734 17.840 -17.408 1.00 51.41 H new ATOM 0 HB2 GLU A 73 7.202 15.327 -18.314 1.00 33.21 H new ATOM 0 HB3 GLU A 73 6.039 15.359 -17.003 1.00 33.21 H new ATOM 0 HG2 GLU A 73 5.445 16.072 -19.900 1.00 42.45 H new ATOM 0 HG3 GLU A 73 5.057 14.547 -19.129 1.00 42.45 H new ATOM 1155 N GLY A 74 8.900 17.054 -16.752 1.00 74.03 N ATOM 1156 CA GLY A 74 9.913 17.098 -15.692 1.00 32.41 C ATOM 1157 C GLY A 74 10.502 18.493 -15.478 1.00 52.32 C ATOM 1158 O GLY A 74 9.898 19.331 -14.804 1.00 75.31 O ATOM 0 H GLY A 74 9.243 16.728 -17.656 1.00 74.03 H new ATOM 0 HA2 GLY A 74 9.468 16.752 -14.759 1.00 32.41 H new ATOM 0 HA3 GLY A 74 10.717 16.405 -15.938 1.00 32.41 H new ATOM 1162 N THR A 75 11.688 18.739 -16.042 1.00 13.42 N ATOM 1163 CA THR A 75 12.347 20.053 -15.949 1.00 50.43 C ATOM 1164 C THR A 75 13.633 20.110 -16.798 1.00 44.20 C ATOM 1165 O THR A 75 14.045 19.114 -17.404 1.00 32.40 O ATOM 1166 CB THR A 75 12.694 20.437 -14.485 1.00 1.13 C ATOM 1167 OG1 THR A 75 13.263 21.754 -14.441 1.00 4.52 O ATOM 1168 CG2 THR A 75 13.667 19.439 -13.861 1.00 63.14 C ATOM 0 H THR A 75 12.216 18.045 -16.571 1.00 13.42 H new ATOM 0 HA THR A 75 11.626 20.772 -16.338 1.00 50.43 H new ATOM 0 HB THR A 75 11.768 20.418 -13.910 1.00 1.13 H new ATOM 0 HG1 THR A 75 13.477 21.987 -13.513 1.00 4.52 H new ATOM 0 HG21 THR A 75 13.888 19.738 -12.837 1.00 63.14 H new ATOM 0 HG22 THR A 75 13.218 18.446 -13.860 1.00 63.14 H new ATOM 0 HG23 THR A 75 14.590 19.420 -14.441 1.00 63.14 H new ATOM 1176 N GLN A 76 14.263 21.285 -16.823 1.00 54.42 N ATOM 1177 CA GLN A 76 15.497 21.524 -17.591 1.00 63.53 C ATOM 1178 C GLN A 76 16.609 20.503 -17.257 1.00 53.34 C ATOM 1179 O GLN A 76 17.326 20.046 -18.151 1.00 51.42 O ATOM 1180 CB GLN A 76 15.988 22.960 -17.320 1.00 53.23 C ATOM 1181 CG GLN A 76 17.402 23.278 -17.818 1.00 33.41 C ATOM 1182 CD GLN A 76 17.544 23.260 -19.332 1.00 43.32 C ATOM 1183 OE1 GLN A 76 16.861 22.528 -20.034 1.00 63.41 O ATOM 1184 NE2 GLN A 76 18.442 24.070 -19.851 1.00 75.23 N ATOM 0 H GLN A 76 13.935 22.104 -16.311 1.00 54.42 H new ATOM 0 HA GLN A 76 15.265 21.398 -18.649 1.00 63.53 H new ATOM 0 HB2 GLN A 76 15.292 23.657 -17.786 1.00 53.23 H new ATOM 0 HB3 GLN A 76 15.950 23.142 -16.246 1.00 53.23 H new ATOM 0 HG2 GLN A 76 17.694 24.261 -17.448 1.00 33.41 H new ATOM 0 HG3 GLN A 76 18.098 22.556 -17.390 1.00 33.41 H new ATOM 0 HE21 GLN A 76 18.999 24.671 -19.243 1.00 75.23 H new ATOM 0 HE22 GLN A 76 18.581 24.097 -20.861 1.00 75.23 H new ATOM 1193 N LYS A 77 16.753 20.151 -15.977 1.00 43.13 N ATOM 1194 CA LYS A 77 17.772 19.175 -15.551 1.00 65.32 C ATOM 1195 C LYS A 77 17.643 17.851 -16.319 1.00 53.13 C ATOM 1196 O LYS A 77 18.604 17.370 -16.921 1.00 25.11 O ATOM 1197 CB LYS A 77 17.637 18.885 -14.048 1.00 2.41 C ATOM 1198 CG LYS A 77 18.599 17.808 -13.538 1.00 23.35 C ATOM 1199 CD LYS A 77 18.176 17.266 -12.175 1.00 51.34 C ATOM 1200 CE LYS A 77 16.843 16.525 -12.250 1.00 60.42 C ATOM 1201 NZ LYS A 77 16.929 15.286 -13.075 1.00 33.24 N ATOM 0 H LYS A 77 16.182 20.522 -15.217 1.00 43.13 H new ATOM 0 HA LYS A 77 18.747 19.614 -15.765 1.00 65.32 H new ATOM 0 HB2 LYS A 77 17.811 19.807 -13.493 1.00 2.41 H new ATOM 0 HB3 LYS A 77 16.614 18.574 -13.838 1.00 2.41 H new ATOM 0 HG2 LYS A 77 18.642 16.990 -14.257 1.00 23.35 H new ATOM 0 HG3 LYS A 77 19.604 18.223 -13.467 1.00 23.35 H new ATOM 0 HD2 LYS A 77 18.945 16.593 -11.796 1.00 51.34 H new ATOM 0 HD3 LYS A 77 18.095 18.089 -11.465 1.00 51.34 H new ATOM 0 HE2 LYS A 77 16.517 16.266 -11.243 1.00 60.42 H new ATOM 0 HE3 LYS A 77 16.085 17.187 -12.670 1.00 60.42 H new ATOM 0 HZ1 LYS A 77 15.989 14.845 -13.138 1.00 33.24 H new ATOM 0 HZ2 LYS A 77 17.263 15.527 -14.030 1.00 33.24 H new ATOM 0 HZ3 LYS A 77 17.595 14.620 -12.633 1.00 33.24 H new ATOM 1215 N ASP A 78 16.437 17.288 -16.320 1.00 71.21 N ATOM 1216 CA ASP A 78 16.178 16.010 -16.985 1.00 12.12 C ATOM 1217 C ASP A 78 16.354 16.139 -18.501 1.00 41.24 C ATOM 1218 O ASP A 78 16.821 15.214 -19.168 1.00 35.04 O ATOM 1219 CB ASP A 78 14.772 15.522 -16.633 1.00 0.04 C ATOM 1220 CG ASP A 78 14.602 15.342 -15.135 1.00 1.25 C ATOM 1221 OD1 ASP A 78 14.380 16.350 -14.435 1.00 52.23 O ATOM 1222 OD2 ASP A 78 14.712 14.201 -14.642 1.00 2.41 O ATOM 0 H ASP A 78 15.620 17.697 -15.867 1.00 71.21 H new ATOM 0 HA ASP A 78 16.901 15.274 -16.633 1.00 12.12 H new ATOM 0 HB2 ASP A 78 14.036 16.237 -17.000 1.00 0.04 H new ATOM 0 HB3 ASP A 78 14.577 14.576 -17.138 1.00 0.04 H new ATOM 1227 N LEU A 79 15.988 17.303 -19.030 1.00 70.01 N ATOM 1228 CA LEU A 79 16.218 17.625 -20.439 1.00 52.41 C ATOM 1229 C LEU A 79 17.717 17.560 -20.780 1.00 75.41 C ATOM 1230 O LEU A 79 18.124 16.878 -21.722 1.00 41.14 O ATOM 1231 CB LEU A 79 15.669 19.028 -20.749 1.00 0.11 C ATOM 1232 CG LEU A 79 15.934 19.545 -22.172 1.00 71.21 C ATOM 1233 CD1 LEU A 79 15.271 18.646 -23.199 1.00 34.21 C ATOM 1234 CD2 LEU A 79 15.455 20.987 -22.330 1.00 41.53 C ATOM 0 H LEU A 79 15.528 18.045 -18.502 1.00 70.01 H new ATOM 0 HA LEU A 79 15.697 16.889 -21.050 1.00 52.41 H new ATOM 0 HB2 LEU A 79 14.593 19.023 -20.578 1.00 0.11 H new ATOM 0 HB3 LEU A 79 16.102 19.733 -20.039 1.00 0.11 H new ATOM 0 HG LEU A 79 17.011 19.527 -22.342 1.00 71.21 H new ATOM 0 HD11 LEU A 79 15.470 19.029 -24.200 1.00 34.21 H new ATOM 0 HD12 LEU A 79 15.671 17.636 -23.110 1.00 34.21 H new ATOM 0 HD13 LEU A 79 14.195 18.627 -23.025 1.00 34.21 H new ATOM 0 HD21 LEU A 79 15.655 21.327 -23.346 1.00 41.53 H new ATOM 0 HD22 LEU A 79 14.384 21.038 -22.134 1.00 41.53 H new ATOM 0 HD23 LEU A 79 15.984 21.626 -21.623 1.00 41.53 H new ATOM 1246 N SER A 80 18.531 18.261 -19.990 1.00 44.43 N ATOM 1247 CA SER A 80 19.983 18.323 -20.214 1.00 62.23 C ATOM 1248 C SER A 80 20.631 16.935 -20.127 1.00 30.21 C ATOM 1249 O SER A 80 21.511 16.601 -20.923 1.00 54.32 O ATOM 1250 CB SER A 80 20.646 19.266 -19.200 1.00 32.22 C ATOM 1251 OG SER A 80 22.039 19.394 -19.450 1.00 43.41 O ATOM 0 H SER A 80 18.211 18.798 -19.184 1.00 44.43 H new ATOM 0 HA SER A 80 20.137 18.708 -21.222 1.00 62.23 H new ATOM 0 HB2 SER A 80 20.174 20.247 -19.249 1.00 32.22 H new ATOM 0 HB3 SER A 80 20.489 18.887 -18.190 1.00 32.22 H new ATOM 0 HG SER A 80 22.435 20.001 -18.791 1.00 43.41 H new ATOM 1257 N GLU A 81 20.191 16.130 -19.158 1.00 70.11 N ATOM 1258 CA GLU A 81 20.712 14.767 -18.985 1.00 1.03 C ATOM 1259 C GLU A 81 20.437 13.893 -20.225 1.00 51.20 C ATOM 1260 O GLU A 81 21.313 13.159 -20.688 1.00 51.41 O ATOM 1261 CB GLU A 81 20.096 14.113 -17.738 1.00 70.21 C ATOM 1262 CG GLU A 81 20.402 14.853 -16.437 1.00 52.22 C ATOM 1263 CD GLU A 81 19.714 14.235 -15.228 1.00 34.33 C ATOM 1264 OE1 GLU A 81 18.503 14.478 -15.039 1.00 4.52 O ATOM 1265 OE2 GLU A 81 20.376 13.491 -14.469 1.00 15.42 O ATOM 0 H GLU A 81 19.476 16.395 -18.480 1.00 70.11 H new ATOM 0 HA GLU A 81 21.792 14.842 -18.857 1.00 1.03 H new ATOM 0 HB2 GLU A 81 19.015 14.055 -17.866 1.00 70.21 H new ATOM 0 HB3 GLU A 81 20.463 13.090 -17.658 1.00 70.21 H new ATOM 0 HG2 GLU A 81 21.479 14.858 -16.272 1.00 52.22 H new ATOM 0 HG3 GLU A 81 20.090 15.893 -16.534 1.00 52.22 H new ATOM 1272 N LEU A 82 19.219 13.983 -20.764 1.00 63.31 N ATOM 1273 CA LEU A 82 18.837 13.199 -21.948 1.00 64.24 C ATOM 1274 C LEU A 82 19.544 13.700 -23.218 1.00 30.12 C ATOM 1275 O LEU A 82 19.937 12.903 -24.077 1.00 63.33 O ATOM 1276 CB LEU A 82 17.317 13.224 -22.138 1.00 21.34 C ATOM 1277 CG LEU A 82 16.514 12.536 -21.022 1.00 53.12 C ATOM 1278 CD1 LEU A 82 15.021 12.639 -21.292 1.00 34.22 C ATOM 1279 CD2 LEU A 82 16.934 11.074 -20.873 1.00 71.11 C ATOM 0 H LEU A 82 18.481 14.587 -20.404 1.00 63.31 H new ATOM 0 HA LEU A 82 19.157 12.171 -21.778 1.00 64.24 H new ATOM 0 HB2 LEU A 82 16.992 14.262 -22.213 1.00 21.34 H new ATOM 0 HB3 LEU A 82 17.076 12.745 -23.087 1.00 21.34 H new ATOM 0 HG LEU A 82 16.729 13.049 -20.085 1.00 53.12 H new ATOM 0 HD11 LEU A 82 14.471 12.146 -20.490 1.00 34.22 H new ATOM 0 HD12 LEU A 82 14.731 13.689 -21.338 1.00 34.22 H new ATOM 0 HD13 LEU A 82 14.789 12.156 -22.241 1.00 34.22 H new ATOM 0 HD21 LEU A 82 16.353 10.608 -20.078 1.00 71.11 H new ATOM 0 HD22 LEU A 82 16.755 10.547 -21.810 1.00 71.11 H new ATOM 0 HD23 LEU A 82 17.994 11.023 -20.625 1.00 71.11 H new ATOM 1291 N GLN A 83 19.703 15.018 -23.339 1.00 43.24 N ATOM 1292 CA GLN A 83 20.474 15.596 -24.447 1.00 14.23 C ATOM 1293 C GLN A 83 21.922 15.087 -24.419 1.00 61.03 C ATOM 1294 O GLN A 83 22.467 14.669 -25.441 1.00 5.54 O ATOM 1295 CB GLN A 83 20.450 17.129 -24.384 1.00 2.34 C ATOM 1296 CG GLN A 83 19.066 17.735 -24.613 1.00 41.31 C ATOM 1297 CD GLN A 83 19.051 19.254 -24.511 1.00 43.05 C ATOM 1298 OE1 GLN A 83 18.263 19.927 -25.168 1.00 11.54 O ATOM 1299 NE2 GLN A 83 19.907 19.811 -23.677 1.00 62.24 N ATOM 0 H GLN A 83 19.313 15.703 -22.691 1.00 43.24 H new ATOM 0 HA GLN A 83 20.011 15.281 -25.382 1.00 14.23 H new ATOM 0 HB2 GLN A 83 20.820 17.449 -23.410 1.00 2.34 H new ATOM 0 HB3 GLN A 83 21.138 17.525 -25.131 1.00 2.34 H new ATOM 0 HG2 GLN A 83 18.706 17.440 -25.599 1.00 41.31 H new ATOM 0 HG3 GLN A 83 18.370 17.322 -23.883 1.00 41.31 H new ATOM 0 HE21 GLN A 83 20.551 19.228 -23.143 1.00 62.24 H new ATOM 0 HE22 GLN A 83 19.925 20.825 -23.566 1.00 62.24 H new ATOM 1308 N ASP A 84 22.529 15.116 -23.234 1.00 70.24 N ATOM 1309 CA ASP A 84 23.879 14.583 -23.033 1.00 75.43 C ATOM 1310 C ASP A 84 23.934 13.080 -23.363 1.00 52.12 C ATOM 1311 O ASP A 84 24.892 12.597 -23.979 1.00 40.35 O ATOM 1312 CB ASP A 84 24.317 14.826 -21.582 1.00 25.34 C ATOM 1313 CG ASP A 84 25.717 14.313 -21.299 1.00 75.32 C ATOM 1314 OD1 ASP A 84 26.691 15.024 -21.619 1.00 23.02 O ATOM 1315 OD2 ASP A 84 25.857 13.197 -20.760 1.00 55.32 O ATOM 0 H ASP A 84 22.105 15.505 -22.392 1.00 70.24 H new ATOM 0 HA ASP A 84 24.562 15.099 -23.708 1.00 75.43 H new ATOM 0 HB2 ASP A 84 24.276 15.894 -21.368 1.00 25.34 H new ATOM 0 HB3 ASP A 84 23.613 14.339 -20.908 1.00 25.34 H new ATOM 1320 N ALA A 85 22.895 12.355 -22.954 1.00 54.11 N ATOM 1321 CA ALA A 85 22.806 10.912 -23.189 1.00 70.15 C ATOM 1322 C ALA A 85 22.810 10.558 -24.685 1.00 64.52 C ATOM 1323 O ALA A 85 23.581 9.705 -25.125 1.00 33.32 O ATOM 1324 CB ALA A 85 21.563 10.352 -22.511 1.00 2.14 C ATOM 0 H ALA A 85 22.096 12.745 -22.454 1.00 54.11 H new ATOM 0 HA ALA A 85 23.695 10.455 -22.755 1.00 70.15 H new ATOM 0 HB1 ALA A 85 21.503 9.278 -22.690 1.00 2.14 H new ATOM 0 HB2 ALA A 85 21.618 10.539 -21.439 1.00 2.14 H new ATOM 0 HB3 ALA A 85 20.676 10.838 -22.918 1.00 2.14 H new ATOM 1330 N LYS A 86 21.954 11.207 -25.473 1.00 4.42 N ATOM 1331 CA LYS A 86 21.920 10.945 -26.917 1.00 74.11 C ATOM 1332 C LYS A 86 23.184 11.493 -27.603 1.00 3.50 C ATOM 1333 O LYS A 86 23.661 10.929 -28.587 1.00 42.13 O ATOM 1334 CB LYS A 86 20.654 11.530 -27.569 1.00 42.24 C ATOM 1335 CG LYS A 86 20.594 13.056 -27.596 1.00 74.35 C ATOM 1336 CD LYS A 86 19.375 13.560 -28.373 1.00 34.22 C ATOM 1337 CE LYS A 86 19.360 13.036 -29.807 1.00 31.15 C ATOM 1338 NZ LYS A 86 18.220 13.574 -30.595 1.00 74.24 N ATOM 0 H LYS A 86 21.286 11.905 -25.148 1.00 4.42 H new ATOM 0 HA LYS A 86 21.894 9.864 -27.052 1.00 74.11 H new ATOM 0 HB2 LYS A 86 20.585 11.160 -28.592 1.00 42.24 H new ATOM 0 HB3 LYS A 86 19.781 11.155 -27.035 1.00 42.24 H new ATOM 0 HG2 LYS A 86 20.558 13.437 -26.575 1.00 74.35 H new ATOM 0 HG3 LYS A 86 21.504 13.448 -28.051 1.00 74.35 H new ATOM 0 HD2 LYS A 86 18.464 13.248 -27.862 1.00 34.22 H new ATOM 0 HD3 LYS A 86 19.376 14.650 -28.384 1.00 34.22 H new ATOM 0 HE2 LYS A 86 20.296 13.303 -30.298 1.00 31.15 H new ATOM 0 HE3 LYS A 86 19.307 11.947 -29.793 1.00 31.15 H new ATOM 0 HZ1 LYS A 86 18.253 13.189 -31.561 1.00 74.24 H new ATOM 0 HZ2 LYS A 86 17.325 13.298 -30.143 1.00 74.24 H new ATOM 0 HZ3 LYS A 86 18.283 14.611 -30.633 1.00 74.24 H new ATOM 1352 N LEU A 87 23.727 12.584 -27.062 1.00 43.23 N ATOM 1353 CA LEU A 87 24.961 13.183 -27.585 1.00 32.32 C ATOM 1354 C LEU A 87 26.132 12.185 -27.529 1.00 31.01 C ATOM 1355 O LEU A 87 26.861 12.011 -28.508 1.00 60.15 O ATOM 1356 CB LEU A 87 25.308 14.454 -26.792 1.00 4.24 C ATOM 1357 CG LEU A 87 26.545 15.229 -27.279 1.00 3.21 C ATOM 1358 CD1 LEU A 87 26.349 15.726 -28.710 1.00 1.44 C ATOM 1359 CD2 LEU A 87 26.854 16.392 -26.339 1.00 31.54 C ATOM 0 H LEU A 87 23.332 13.074 -26.259 1.00 43.23 H new ATOM 0 HA LEU A 87 24.794 13.447 -28.629 1.00 32.32 H new ATOM 0 HB2 LEU A 87 24.448 15.124 -26.821 1.00 4.24 H new ATOM 0 HB3 LEU A 87 25.463 14.178 -25.749 1.00 4.24 H new ATOM 0 HG LEU A 87 27.396 14.548 -27.273 1.00 3.21 H new ATOM 0 HD11 LEU A 87 27.237 16.271 -29.031 1.00 1.44 H new ATOM 0 HD12 LEU A 87 26.186 14.875 -29.372 1.00 1.44 H new ATOM 0 HD13 LEU A 87 25.484 16.387 -28.750 1.00 1.44 H new ATOM 0 HD21 LEU A 87 27.732 16.928 -26.700 1.00 31.54 H new ATOM 0 HD22 LEU A 87 26.002 17.071 -26.308 1.00 31.54 H new ATOM 0 HD23 LEU A 87 27.049 16.008 -25.338 1.00 31.54 H new ATOM 1371 N LYS A 88 26.303 11.526 -26.381 1.00 54.03 N ATOM 1372 CA LYS A 88 27.352 10.508 -26.228 1.00 72.51 C ATOM 1373 C LYS A 88 27.015 9.239 -27.036 1.00 31.44 C ATOM 1374 O LYS A 88 27.907 8.565 -27.551 1.00 11.23 O ATOM 1375 CB LYS A 88 27.552 10.154 -24.744 1.00 62.14 C ATOM 1376 CG LYS A 88 26.363 9.435 -24.113 1.00 61.34 C ATOM 1377 CD LYS A 88 26.571 9.159 -22.626 1.00 73.14 C ATOM 1378 CE LYS A 88 25.414 8.356 -22.040 1.00 31.45 C ATOM 1379 NZ LYS A 88 25.302 7.008 -22.664 1.00 4.31 N ATOM 0 H LYS A 88 25.735 11.675 -25.547 1.00 54.03 H new ATOM 0 HA LYS A 88 28.281 10.925 -26.617 1.00 72.51 H new ATOM 0 HB2 LYS A 88 28.437 9.525 -24.647 1.00 62.14 H new ATOM 0 HB3 LYS A 88 27.748 11.069 -24.186 1.00 62.14 H new ATOM 0 HG2 LYS A 88 25.465 10.039 -24.245 1.00 61.34 H new ATOM 0 HG3 LYS A 88 26.193 8.493 -24.634 1.00 61.34 H new ATOM 0 HD2 LYS A 88 27.504 8.613 -22.483 1.00 73.14 H new ATOM 0 HD3 LYS A 88 26.669 10.103 -22.090 1.00 73.14 H new ATOM 0 HE2 LYS A 88 25.555 8.248 -20.965 1.00 31.45 H new ATOM 0 HE3 LYS A 88 24.482 8.902 -22.186 1.00 31.45 H new ATOM 0 HZ1 LYS A 88 25.223 6.286 -21.919 1.00 4.31 H new ATOM 0 HZ2 LYS A 88 24.457 6.975 -23.270 1.00 4.31 H new ATOM 0 HZ3 LYS A 88 26.148 6.820 -23.239 1.00 4.31 H new ATOM 1393 N ALA A 89 25.720 8.925 -27.146 1.00 21.31 N ATOM 1394 CA ALA A 89 25.259 7.763 -27.918 1.00 14.15 C ATOM 1395 C ALA A 89 25.673 7.867 -29.395 1.00 34.24 C ATOM 1396 O ALA A 89 26.117 6.891 -30.001 1.00 42.55 O ATOM 1397 CB ALA A 89 23.746 7.619 -27.795 1.00 65.03 C ATOM 0 H ALA A 89 24.969 9.460 -26.709 1.00 21.31 H new ATOM 0 HA ALA A 89 25.735 6.874 -27.505 1.00 14.15 H new ATOM 0 HB1 ALA A 89 23.415 6.755 -28.371 1.00 65.03 H new ATOM 0 HB2 ALA A 89 23.478 7.482 -26.748 1.00 65.03 H new ATOM 0 HB3 ALA A 89 23.263 8.518 -28.179 1.00 65.03 H new ATOM 1403 N GLU A 90 25.544 9.069 -29.955 1.00 3.00 N ATOM 1404 CA GLU A 90 25.956 9.346 -31.339 1.00 15.33 C ATOM 1405 C GLU A 90 27.471 9.139 -31.542 1.00 3.21 C ATOM 1406 O GLU A 90 27.957 9.116 -32.676 1.00 50.43 O ATOM 1407 CB GLU A 90 25.572 10.789 -31.711 1.00 4.35 C ATOM 1408 CG GLU A 90 24.068 11.064 -31.678 1.00 71.34 C ATOM 1409 CD GLU A 90 23.364 10.774 -32.998 1.00 51.34 C ATOM 1410 OE1 GLU A 90 23.631 9.723 -33.616 1.00 63.40 O ATOM 1411 OE2 GLU A 90 22.547 11.616 -33.433 1.00 21.03 O ATOM 0 H GLU A 90 25.154 9.877 -29.469 1.00 3.00 H new ATOM 0 HA GLU A 90 25.438 8.641 -31.990 1.00 15.33 H new ATOM 0 HB2 GLU A 90 26.071 11.474 -31.026 1.00 4.35 H new ATOM 0 HB3 GLU A 90 25.948 11.007 -32.710 1.00 4.35 H new ATOM 0 HG2 GLU A 90 23.614 10.459 -30.893 1.00 71.34 H new ATOM 0 HG3 GLU A 90 23.904 12.108 -31.410 1.00 71.34 H new ATOM 1418 N GLY A 91 28.213 9.002 -30.439 1.00 2.21 N ATOM 1419 CA GLY A 91 29.660 8.809 -30.515 1.00 12.04 C ATOM 1420 C GLY A 91 30.134 7.464 -29.958 1.00 23.11 C ATOM 1421 O GLY A 91 31.334 7.264 -29.754 1.00 32.55 O ATOM 0 H GLY A 91 27.837 9.021 -29.491 1.00 2.21 H new ATOM 0 HA2 GLY A 91 29.974 8.892 -31.555 1.00 12.04 H new ATOM 0 HA3 GLY A 91 30.154 9.612 -29.968 1.00 12.04 H new ATOM 1425 N LEU A 92 29.202 6.541 -29.702 1.00 75.23 N ATOM 1426 CA LEU A 92 29.563 5.200 -29.214 1.00 31.11 C ATOM 1427 C LEU A 92 30.318 4.405 -30.289 1.00 44.35 C ATOM 1428 O LEU A 92 31.396 3.861 -30.039 1.00 10.41 O ATOM 1429 CB LEU A 92 28.310 4.420 -28.777 1.00 31.13 C ATOM 1430 CG LEU A 92 27.572 4.980 -27.550 1.00 4.43 C ATOM 1431 CD1 LEU A 92 26.342 4.135 -27.227 1.00 55.05 C ATOM 1432 CD2 LEU A 92 28.507 5.061 -26.344 1.00 44.45 C ATOM 0 H LEU A 92 28.200 6.692 -29.822 1.00 75.23 H new ATOM 0 HA LEU A 92 30.217 5.331 -28.352 1.00 31.11 H new ATOM 0 HB2 LEU A 92 27.613 4.389 -29.615 1.00 31.13 H new ATOM 0 HB3 LEU A 92 28.600 3.391 -28.565 1.00 31.13 H new ATOM 0 HG LEU A 92 27.238 5.990 -27.787 1.00 4.43 H new ATOM 0 HD11 LEU A 92 25.835 4.549 -26.356 1.00 55.05 H new ATOM 0 HD12 LEU A 92 25.662 4.141 -28.079 1.00 55.05 H new ATOM 0 HD13 LEU A 92 26.649 3.111 -27.015 1.00 55.05 H new ATOM 0 HD21 LEU A 92 27.963 5.460 -25.488 1.00 44.45 H new ATOM 0 HD22 LEU A 92 28.880 4.065 -26.105 1.00 44.45 H new ATOM 0 HD23 LEU A 92 29.346 5.716 -26.578 1.00 44.45 H new ATOM 1444 N GLU A 93 29.744 4.347 -31.485 1.00 44.40 N ATOM 1445 CA GLU A 93 30.362 3.651 -32.618 1.00 20.23 C ATOM 1446 C GLU A 93 30.490 4.590 -33.839 1.00 61.51 C ATOM 1447 O GLU A 93 30.406 5.811 -33.697 1.00 32.42 O ATOM 1448 CB GLU A 93 29.568 2.368 -32.942 1.00 23.33 C ATOM 1449 CG GLU A 93 28.049 2.532 -32.935 1.00 44.43 C ATOM 1450 CD GLU A 93 27.533 3.366 -34.094 1.00 2.05 C ATOM 1451 OE1 GLU A 93 27.295 2.795 -35.175 1.00 44.30 O ATOM 1452 OE2 GLU A 93 27.385 4.595 -33.931 1.00 61.41 O ATOM 0 H GLU A 93 28.844 4.776 -31.701 1.00 44.40 H new ATOM 0 HA GLU A 93 31.375 3.353 -32.348 1.00 20.23 H new ATOM 0 HB2 GLU A 93 29.875 2.006 -33.923 1.00 23.33 H new ATOM 0 HB3 GLU A 93 29.839 1.598 -32.219 1.00 23.33 H new ATOM 0 HG2 GLU A 93 27.583 1.547 -32.969 1.00 44.43 H new ATOM 0 HG3 GLU A 93 27.744 2.997 -31.997 1.00 44.43 H new ATOM 1459 N HIS A 94 30.710 4.034 -35.032 1.00 73.45 N ATOM 1460 CA HIS A 94 31.032 4.854 -36.210 1.00 45.14 C ATOM 1461 C HIS A 94 29.952 4.790 -37.311 1.00 63.45 C ATOM 1462 O HIS A 94 30.278 4.700 -38.501 1.00 74.32 O ATOM 1463 CB HIS A 94 32.392 4.418 -36.772 1.00 64.42 C ATOM 1464 CG HIS A 94 33.509 4.537 -35.780 1.00 2.01 C ATOM 1465 ND1 HIS A 94 34.001 3.465 -35.067 1.00 72.42 N ATOM 1466 CD2 HIS A 94 34.228 5.611 -35.379 1.00 54.22 C ATOM 1467 CE1 HIS A 94 34.969 3.873 -34.273 1.00 64.31 C ATOM 1468 NE2 HIS A 94 35.128 5.170 -34.440 1.00 35.42 N ATOM 0 H HIS A 94 30.673 3.031 -35.211 1.00 73.45 H new ATOM 0 HA HIS A 94 31.070 5.893 -35.882 1.00 45.14 H new ATOM 0 HB2 HIS A 94 32.323 3.384 -37.109 1.00 64.42 H new ATOM 0 HB3 HIS A 94 32.627 5.024 -37.647 1.00 64.42 H new ATOM 0 HD2 HIS A 94 34.115 6.626 -35.732 1.00 54.22 H new ATOM 0 HE1 HIS A 94 35.537 3.249 -33.598 1.00 64.31 H new ATOM 0 HE2 HIS A 94 35.809 5.752 -33.952 1.00 35.42 H new ATOM 1477 N HIS A 95 28.675 4.899 -36.924 1.00 61.14 N ATOM 1478 CA HIS A 95 27.560 4.870 -37.896 1.00 63.14 C ATOM 1479 C HIS A 95 27.638 5.999 -38.948 1.00 0.31 C ATOM 1480 O HIS A 95 26.875 5.998 -39.915 1.00 24.40 O ATOM 1481 CB HIS A 95 26.195 4.918 -37.180 1.00 54.10 C ATOM 1482 CG HIS A 95 26.020 6.058 -36.214 1.00 33.00 C ATOM 1483 ND1 HIS A 95 25.083 6.040 -35.202 1.00 65.25 N ATOM 1484 CD2 HIS A 95 26.660 7.248 -36.101 1.00 2.33 C ATOM 1485 CE1 HIS A 95 25.153 7.161 -34.516 1.00 4.42 C ATOM 1486 NE2 HIS A 95 26.099 7.912 -35.039 1.00 20.20 N ATOM 0 H HIS A 95 28.383 5.008 -35.953 1.00 61.14 H new ATOM 0 HA HIS A 95 27.658 3.924 -38.429 1.00 63.14 H new ATOM 0 HB2 HIS A 95 25.409 4.977 -37.933 1.00 54.10 H new ATOM 0 HB3 HIS A 95 26.051 3.981 -36.642 1.00 54.10 H new ATOM 0 HD2 HIS A 95 27.462 7.606 -36.730 1.00 2.33 H new ATOM 0 HE1 HIS A 95 24.538 7.421 -33.667 1.00 4.42 H new ATOM 0 HE2 HIS A 95 26.371 8.838 -34.708 1.00 20.20 H new ATOM 1495 N HIS A 96 28.555 6.955 -38.764 1.00 23.11 N ATOM 1496 CA HIS A 96 28.732 8.056 -39.728 1.00 21.54 C ATOM 1497 C HIS A 96 29.222 7.540 -41.097 1.00 72.51 C ATOM 1498 O HIS A 96 29.252 8.287 -42.077 1.00 52.45 O ATOM 1499 CB HIS A 96 29.714 9.099 -39.168 1.00 13.35 C ATOM 1500 CG HIS A 96 29.837 10.347 -39.999 1.00 52.23 C ATOM 1501 ND1 HIS A 96 30.970 10.669 -40.717 1.00 53.01 N ATOM 1502 CD2 HIS A 96 28.966 11.364 -40.211 1.00 70.41 C ATOM 1503 CE1 HIS A 96 30.793 11.823 -41.327 1.00 72.33 C ATOM 1504 NE2 HIS A 96 29.588 12.263 -41.040 1.00 11.51 N ATOM 0 H HIS A 96 29.185 6.992 -37.962 1.00 23.11 H new ATOM 0 HA HIS A 96 27.760 8.525 -39.880 1.00 21.54 H new ATOM 0 HB2 HIS A 96 29.396 9.376 -38.163 1.00 13.35 H new ATOM 0 HB3 HIS A 96 30.698 8.640 -39.076 1.00 13.35 H new ATOM 0 HD2 HIS A 96 27.969 11.450 -39.804 1.00 70.41 H new ATOM 0 HE1 HIS A 96 31.515 12.323 -41.956 1.00 72.33 H new ATOM 0 HE2 HIS A 96 29.180 13.134 -41.380 1.00 11.51 H new ATOM 1513 N HIS A 97 29.616 6.267 -41.156 1.00 13.41 N ATOM 1514 CA HIS A 97 30.024 5.639 -42.419 1.00 32.11 C ATOM 1515 C HIS A 97 30.016 4.105 -42.298 1.00 61.41 C ATOM 1516 O HIS A 97 30.188 3.560 -41.207 1.00 72.44 O ATOM 1517 CB HIS A 97 31.424 6.123 -42.839 1.00 63.20 C ATOM 1518 CG HIS A 97 32.554 5.430 -42.129 1.00 25.40 C ATOM 1519 ND1 HIS A 97 32.636 5.312 -40.755 1.00 62.51 N ATOM 1520 CD2 HIS A 97 33.645 4.791 -42.620 1.00 13.41 C ATOM 1521 CE1 HIS A 97 33.725 4.638 -40.437 1.00 44.40 C ATOM 1522 NE2 HIS A 97 34.350 4.311 -41.547 1.00 3.13 N ATOM 0 H HIS A 97 29.662 5.649 -40.346 1.00 13.41 H new ATOM 0 HA HIS A 97 29.305 5.932 -43.184 1.00 32.11 H new ATOM 0 HB2 HIS A 97 31.540 5.976 -43.913 1.00 63.20 H new ATOM 0 HB3 HIS A 97 31.496 7.195 -42.654 1.00 63.20 H new ATOM 0 HD2 HIS A 97 33.909 4.681 -43.661 1.00 13.41 H new ATOM 0 HE1 HIS A 97 34.048 4.396 -39.435 1.00 44.40 H new ATOM 0 HE2 HIS A 97 35.221 3.784 -41.601 1.00 3.13 H new ATOM 1531 N HIS A 98 29.822 3.420 -43.420 1.00 12.25 N ATOM 1532 CA HIS A 98 29.905 1.954 -43.464 1.00 21.11 C ATOM 1533 C HIS A 98 30.708 1.502 -44.690 1.00 4.14 C ATOM 1534 O HIS A 98 31.177 2.329 -45.472 1.00 72.05 O ATOM 1535 CB HIS A 98 28.502 1.329 -43.492 1.00 25.31 C ATOM 1536 CG HIS A 98 27.720 1.641 -44.732 1.00 20.43 C ATOM 1537 ND1 HIS A 98 27.839 0.920 -45.905 1.00 52.00 N ATOM 1538 CD2 HIS A 98 26.806 2.607 -44.984 1.00 21.20 C ATOM 1539 CE1 HIS A 98 27.037 1.431 -46.816 1.00 12.22 C ATOM 1540 NE2 HIS A 98 26.399 2.453 -46.285 1.00 43.52 N ATOM 0 H HIS A 98 29.605 3.853 -44.317 1.00 12.25 H new ATOM 0 HA HIS A 98 30.416 1.615 -42.563 1.00 21.11 H new ATOM 0 HB2 HIS A 98 28.595 0.247 -43.396 1.00 25.31 H new ATOM 0 HB3 HIS A 98 27.942 1.679 -42.624 1.00 25.31 H new ATOM 0 HD1 HIS A 98 28.453 0.117 -46.044 1.00 52.00 H new ATOM 0 HD2 HIS A 98 26.461 3.359 -44.290 1.00 21.20 H new ATOM 0 HE1 HIS A 98 26.922 1.072 -47.828 1.00 12.22 H new ATOM 1549 N HIS A 99 30.872 0.194 -44.854 1.00 73.01 N ATOM 1550 CA HIS A 99 31.572 -0.349 -46.025 1.00 55.31 C ATOM 1551 C HIS A 99 30.789 -0.069 -47.325 1.00 14.20 C ATOM 1552 O HIS A 99 29.725 -0.692 -47.527 1.00 39.58 O ATOM 1553 CB HIS A 99 31.797 -1.856 -45.859 1.00 11.02 C ATOM 1554 CG HIS A 99 32.494 -2.487 -47.027 1.00 73.12 C ATOM 1555 ND1 HIS A 99 31.822 -3.121 -48.049 1.00 22.43 N ATOM 1556 CD2 HIS A 99 33.808 -2.571 -47.339 1.00 41.23 C ATOM 1557 CE1 HIS A 99 32.686 -3.565 -48.935 1.00 43.40 C ATOM 1558 NE2 HIS A 99 33.897 -3.246 -48.531 1.00 44.32 N ATOM 1559 OXT HIS A 99 31.250 0.761 -48.139 1.00 39.58 O ATOM 0 H HIS A 99 30.534 -0.511 -44.199 1.00 73.01 H new ATOM 0 HA HIS A 99 32.538 0.150 -46.098 1.00 55.31 H new ATOM 0 HB2 HIS A 99 32.384 -2.031 -44.957 1.00 11.02 H new ATOM 0 HB3 HIS A 99 30.834 -2.345 -45.712 1.00 11.02 H new ATOM 0 HD2 HIS A 99 34.631 -2.181 -46.759 1.00 41.23 H new ATOM 0 HE1 HIS A 99 32.443 -4.101 -49.841 1.00 43.40 H new ATOM 0 HE2 HIS A 99 34.763 -3.465 -49.024 1.00 44.32 H new TER 1568 HIS A 99