USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 816 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 86 TYR OH : rot 165:sc= -0.441 USER MOD Set 1.2: A 90 GLN : amide:sc= -0.497 X(o=-0.94,f=-1.2) USER MOD Set 2.1: A 29 TYR OH : rot -175:sc= 1.21 USER MOD Set 2.2: A 97 THR OG1 : rot 118:sc= -0.102 USER MOD Single : A 9 SER OG : rot 180:sc= -0.105 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00879) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.185 K(o=-0.18,f=-1.6!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.0943 K(o=0.094,f=-6.4!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0861 USER MOD Single : A 47 ASN : amide:sc=-0.00698 K(o=-0.007,f=-0.84) USER MOD Single : A 53 THR OG1 : rot -18:sc= 0.977 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -116:sc= -0.617 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.00088) USER MOD Single : A 65 GLN : amide:sc=-0.00691 X(o=-0.0069,f=-0.42) USER MOD Single : A 67 SER OG : rot 93:sc= 1.34 USER MOD Single : A 69 GLN : amide:sc= -0.0646 K(o=-0.065,f=-1.3!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.741 USER MOD Single : A 80 ASN : amide:sc= -4.93! C(o=-4.9!,f=-5.5!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 90:sc= -0.619 USER MOD Single : A 89 HIS : no HE2:sc= -0.105 K(o=0.63,f=-4!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 4.617 -5.405 -13.902 1.00 10.12 N ATOM 64 CA VAL A 7 3.367 -5.184 -14.618 1.00 31.01 C ATOM 65 C VAL A 7 2.413 -4.316 -13.804 1.00 4.14 C ATOM 66 O VAL A 7 2.154 -3.164 -14.152 1.00 62.41 O ATOM 67 CB VAL A 7 2.670 -6.516 -14.955 1.00 5.11 C ATOM 68 CG1 VAL A 7 1.426 -6.270 -15.794 1.00 75.22 C ATOM 69 CG2 VAL A 7 3.630 -7.452 -15.673 1.00 42.22 C ATOM 0 HA VAL A 7 3.620 -4.670 -15.545 1.00 31.01 H new ATOM 0 HB VAL A 7 2.363 -6.991 -14.023 1.00 5.11 H new ATOM 0 HG11 VAL A 7 0.947 -7.222 -16.022 1.00 75.22 H new ATOM 0 HG12 VAL A 7 0.732 -5.638 -15.239 1.00 75.22 H new ATOM 0 HG13 VAL A 7 1.706 -5.773 -16.723 1.00 75.22 H new ATOM 0 HG21 VAL A 7 3.121 -8.388 -15.904 1.00 42.22 H new ATOM 0 HG22 VAL A 7 3.969 -6.986 -16.598 1.00 42.22 H new ATOM 0 HG23 VAL A 7 4.489 -7.654 -15.033 1.00 42.22 H new ATOM 79 N LEU A 8 1.894 -4.877 -12.717 1.00 74.51 N ATOM 80 CA LEU A 8 0.967 -4.154 -11.852 1.00 23.45 C ATOM 81 C LEU A 8 1.655 -3.721 -10.561 1.00 62.41 C ATOM 82 O LEU A 8 2.156 -4.552 -9.804 1.00 4.23 O ATOM 83 CB LEU A 8 -0.246 -5.027 -11.528 1.00 73.42 C ATOM 84 CG LEU A 8 -1.138 -5.401 -12.713 1.00 30.04 C ATOM 85 CD1 LEU A 8 -2.365 -6.163 -12.238 1.00 3.11 C ATOM 86 CD2 LEU A 8 -1.547 -4.157 -13.487 1.00 21.34 C ATOM 0 H LEU A 8 2.099 -5.829 -12.414 1.00 74.51 H new ATOM 0 HA LEU A 8 0.633 -3.262 -12.382 1.00 23.45 H new ATOM 0 HB2 LEU A 8 0.107 -5.946 -11.060 1.00 73.42 H new ATOM 0 HB3 LEU A 8 -0.856 -4.507 -10.789 1.00 73.42 H new ATOM 0 HG LEU A 8 -0.569 -6.049 -13.380 1.00 30.04 H new ATOM 0 HD11 LEU A 8 -2.988 -6.421 -13.095 1.00 3.11 H new ATOM 0 HD12 LEU A 8 -2.053 -7.075 -11.729 1.00 3.11 H new ATOM 0 HD13 LEU A 8 -2.936 -5.540 -11.549 1.00 3.11 H new ATOM 0 HD21 LEU A 8 -2.181 -4.443 -14.326 1.00 21.34 H new ATOM 0 HD22 LEU A 8 -2.097 -3.484 -12.829 1.00 21.34 H new ATOM 0 HD23 LEU A 8 -0.656 -3.652 -13.861 1.00 21.34 H new ATOM 98 N SER A 9 1.673 -2.415 -10.315 1.00 64.15 N ATOM 99 CA SER A 9 2.299 -1.871 -9.116 1.00 25.44 C ATOM 100 C SER A 9 1.478 -2.204 -7.874 1.00 34.04 C ATOM 101 O SER A 9 0.497 -2.945 -7.945 1.00 25.52 O ATOM 102 CB SER A 9 2.461 -0.355 -9.242 1.00 30.43 C ATOM 103 OG SER A 9 1.218 0.306 -9.077 1.00 32.12 O ATOM 0 H SER A 9 1.261 -1.714 -10.931 1.00 64.15 H new ATOM 0 HA SER A 9 3.283 -2.327 -9.012 1.00 25.44 H new ATOM 0 HB2 SER A 9 3.168 0.002 -8.493 1.00 30.43 H new ATOM 0 HB3 SER A 9 2.880 -0.111 -10.218 1.00 30.43 H new ATOM 0 HG SER A 9 1.349 1.274 -9.160 1.00 32.12 H new ATOM 109 N GLY A 10 1.887 -1.653 -6.736 1.00 65.51 N ATOM 110 CA GLY A 10 1.180 -1.903 -5.494 1.00 42.23 C ATOM 111 C GLY A 10 -0.297 -1.574 -5.592 1.00 13.42 C ATOM 112 O GLY A 10 -1.146 -2.388 -5.231 1.00 72.55 O ATOM 0 H GLY A 10 2.696 -1.037 -6.652 1.00 65.51 H new ATOM 0 HA2 GLY A 10 1.298 -2.950 -5.217 1.00 42.23 H new ATOM 0 HA3 GLY A 10 1.629 -1.310 -4.698 1.00 42.23 H new ATOM 116 N GLY A 11 -0.604 -0.377 -6.081 1.00 72.42 N ATOM 117 CA GLY A 11 -1.989 0.038 -6.215 1.00 2.34 C ATOM 118 C GLY A 11 -2.765 -0.839 -7.177 1.00 71.42 C ATOM 119 O GLY A 11 -3.854 -1.313 -6.854 1.00 12.53 O ATOM 0 H GLY A 11 0.081 0.314 -6.387 1.00 72.42 H new ATOM 0 HA2 GLY A 11 -2.469 0.013 -5.237 1.00 2.34 H new ATOM 0 HA3 GLY A 11 -2.024 1.071 -6.561 1.00 2.34 H new ATOM 123 N GLU A 12 -2.205 -1.053 -8.365 1.00 42.45 N ATOM 124 CA GLU A 12 -2.855 -1.875 -9.377 1.00 54.34 C ATOM 125 C GLU A 12 -3.086 -3.293 -8.861 1.00 12.11 C ATOM 126 O GLU A 12 -4.134 -3.893 -9.106 1.00 64.13 O ATOM 127 CB GLU A 12 -2.010 -1.917 -10.652 1.00 25.00 C ATOM 128 CG GLU A 12 -1.526 -0.549 -11.106 1.00 40.32 C ATOM 129 CD GLU A 12 -0.855 -0.590 -12.465 1.00 62.33 C ATOM 130 OE1 GLU A 12 0.326 -0.990 -12.531 1.00 25.11 O ATOM 131 OE2 GLU A 12 -1.510 -0.222 -13.463 1.00 44.22 O ATOM 0 H GLU A 12 -1.304 -0.668 -8.648 1.00 42.45 H new ATOM 0 HA GLU A 12 -3.822 -1.427 -9.605 1.00 54.34 H new ATOM 0 HB2 GLU A 12 -1.147 -2.562 -10.485 1.00 25.00 H new ATOM 0 HB3 GLU A 12 -2.596 -2.370 -11.452 1.00 25.00 H new ATOM 0 HG2 GLU A 12 -2.372 0.138 -11.143 1.00 40.32 H new ATOM 0 HG3 GLU A 12 -0.826 -0.153 -10.371 1.00 40.32 H new ATOM 138 N LEU A 13 -2.100 -3.823 -8.146 1.00 15.34 N ATOM 139 CA LEU A 13 -2.193 -5.171 -7.595 1.00 61.42 C ATOM 140 C LEU A 13 -3.416 -5.306 -6.693 1.00 40.30 C ATOM 141 O LEU A 13 -4.129 -6.309 -6.744 1.00 42.34 O ATOM 142 CB LEU A 13 -0.926 -5.512 -6.809 1.00 63.34 C ATOM 143 CG LEU A 13 -0.642 -7.000 -6.606 1.00 50.43 C ATOM 144 CD1 LEU A 13 0.786 -7.209 -6.127 1.00 12.42 C ATOM 145 CD2 LEU A 13 -1.632 -7.601 -5.617 1.00 24.45 C ATOM 0 H LEU A 13 -1.227 -3.340 -7.934 1.00 15.34 H new ATOM 0 HA LEU A 13 -2.296 -5.870 -8.425 1.00 61.42 H new ATOM 0 HB2 LEU A 13 -0.074 -5.067 -7.322 1.00 63.34 H new ATOM 0 HB3 LEU A 13 -0.992 -5.038 -5.830 1.00 63.34 H new ATOM 0 HG LEU A 13 -0.761 -7.508 -7.563 1.00 50.43 H new ATOM 0 HD11 LEU A 13 0.971 -8.274 -5.988 1.00 12.42 H new ATOM 0 HD12 LEU A 13 1.480 -6.814 -6.869 1.00 12.42 H new ATOM 0 HD13 LEU A 13 0.932 -6.689 -5.180 1.00 12.42 H new ATOM 0 HD21 LEU A 13 -1.415 -8.661 -5.484 1.00 24.45 H new ATOM 0 HD22 LEU A 13 -1.544 -7.090 -4.658 1.00 24.45 H new ATOM 0 HD23 LEU A 13 -2.646 -7.483 -6.000 1.00 24.45 H new ATOM 157 N ASP A 14 -3.654 -4.290 -5.871 1.00 10.21 N ATOM 158 CA ASP A 14 -4.793 -4.295 -4.960 1.00 62.41 C ATOM 159 C ASP A 14 -6.097 -4.513 -5.721 1.00 14.33 C ATOM 160 O ASP A 14 -6.859 -5.431 -5.417 1.00 42.32 O ATOM 161 CB ASP A 14 -4.856 -2.978 -4.183 1.00 50.21 C ATOM 162 CG ASP A 14 -4.502 -3.153 -2.719 1.00 61.10 C ATOM 163 OD1 ASP A 14 -3.409 -3.685 -2.432 1.00 15.33 O ATOM 164 OD2 ASP A 14 -5.317 -2.756 -1.861 1.00 60.22 O ATOM 0 H ASP A 14 -3.074 -3.453 -5.817 1.00 10.21 H new ATOM 0 HA ASP A 14 -4.662 -5.118 -4.257 1.00 62.41 H new ATOM 0 HB2 ASP A 14 -4.173 -2.259 -4.636 1.00 50.21 H new ATOM 0 HB3 ASP A 14 -5.859 -2.559 -4.264 1.00 50.21 H new ATOM 169 N LYS A 15 -6.347 -3.664 -6.712 1.00 73.03 N ATOM 170 CA LYS A 15 -7.558 -3.764 -7.518 1.00 72.14 C ATOM 171 C LYS A 15 -7.563 -5.051 -8.336 1.00 74.05 C ATOM 172 O LYS A 15 -8.607 -5.679 -8.515 1.00 11.32 O ATOM 173 CB LYS A 15 -7.677 -2.555 -8.448 1.00 73.33 C ATOM 174 CG LYS A 15 -7.793 -1.230 -7.713 1.00 62.00 C ATOM 175 CD LYS A 15 -9.205 -0.996 -7.205 1.00 43.32 C ATOM 176 CE LYS A 15 -9.309 -1.255 -5.710 1.00 43.24 C ATOM 177 NZ LYS A 15 -10.716 -1.182 -5.229 1.00 74.44 N ATOM 0 H LYS A 15 -5.727 -2.899 -6.976 1.00 73.03 H new ATOM 0 HA LYS A 15 -8.414 -3.781 -6.843 1.00 72.14 H new ATOM 0 HB2 LYS A 15 -6.805 -2.523 -9.102 1.00 73.33 H new ATOM 0 HB3 LYS A 15 -8.550 -2.684 -9.087 1.00 73.33 H new ATOM 0 HG2 LYS A 15 -7.097 -1.216 -6.874 1.00 62.00 H new ATOM 0 HG3 LYS A 15 -7.506 -0.417 -8.380 1.00 62.00 H new ATOM 0 HD2 LYS A 15 -9.505 0.030 -7.419 1.00 43.32 H new ATOM 0 HD3 LYS A 15 -9.897 -1.648 -7.737 1.00 43.32 H new ATOM 0 HE2 LYS A 15 -8.899 -2.239 -5.483 1.00 43.24 H new ATOM 0 HE3 LYS A 15 -8.704 -0.525 -5.172 1.00 43.24 H new ATOM 0 HZ1 LYS A 15 -10.743 -1.364 -4.205 1.00 74.44 H new ATOM 0 HZ2 LYS A 15 -11.100 -0.235 -5.422 1.00 74.44 H new ATOM 0 HZ3 LYS A 15 -11.289 -1.896 -5.723 1.00 74.44 H new ATOM 191 N TRP A 16 -6.393 -5.438 -8.828 1.00 5.14 N ATOM 192 CA TRP A 16 -6.262 -6.652 -9.626 1.00 73.20 C ATOM 193 C TRP A 16 -6.806 -7.860 -8.872 1.00 73.51 C ATOM 194 O TRP A 16 -7.443 -8.734 -9.460 1.00 42.11 O ATOM 195 CB TRP A 16 -4.798 -6.886 -10.001 1.00 24.14 C ATOM 196 CG TRP A 16 -4.560 -8.205 -10.673 1.00 63.12 C ATOM 197 CD1 TRP A 16 -4.041 -9.332 -10.103 1.00 21.51 C ATOM 198 CD2 TRP A 16 -4.831 -8.531 -12.040 1.00 62.24 C ATOM 199 NE1 TRP A 16 -3.973 -10.340 -11.035 1.00 11.15 N ATOM 200 CE2 TRP A 16 -4.453 -9.874 -12.230 1.00 32.44 C ATOM 201 CE3 TRP A 16 -5.359 -7.821 -13.122 1.00 45.13 C ATOM 202 CZ2 TRP A 16 -4.585 -10.517 -13.458 1.00 33.44 C ATOM 203 CZ3 TRP A 16 -5.489 -8.460 -14.339 1.00 61.43 C ATOM 204 CH2 TRP A 16 -5.104 -9.798 -14.499 1.00 21.51 C ATOM 0 H TRP A 16 -5.520 -4.929 -8.689 1.00 5.14 H new ATOM 0 HA TRP A 16 -6.846 -6.522 -10.537 1.00 73.20 H new ATOM 0 HB2 TRP A 16 -4.467 -6.085 -10.662 1.00 24.14 H new ATOM 0 HB3 TRP A 16 -4.186 -6.830 -9.101 1.00 24.14 H new ATOM 0 HD1 TRP A 16 -3.730 -9.419 -9.072 1.00 21.51 H new ATOM 0 HE1 TRP A 16 -3.622 -11.282 -10.864 1.00 11.15 H new ATOM 0 HE3 TRP A 16 -5.660 -6.790 -13.008 1.00 45.13 H new ATOM 0 HZ2 TRP A 16 -4.288 -11.548 -13.584 1.00 33.44 H new ATOM 0 HZ3 TRP A 16 -5.894 -7.920 -15.182 1.00 61.43 H new ATOM 0 HH2 TRP A 16 -5.219 -10.270 -15.463 1.00 21.51 H new ATOM 215 N GLU A 17 -6.552 -7.902 -7.568 1.00 72.33 N ATOM 216 CA GLU A 17 -7.017 -9.005 -6.735 1.00 41.30 C ATOM 217 C GLU A 17 -8.518 -8.897 -6.477 1.00 23.30 C ATOM 218 O GLU A 17 -9.159 -9.861 -6.060 1.00 3.33 O ATOM 219 CB GLU A 17 -6.261 -9.024 -5.406 1.00 25.14 C ATOM 220 CG GLU A 17 -4.893 -9.681 -5.493 1.00 31.53 C ATOM 221 CD GLU A 17 -4.425 -10.232 -4.160 1.00 12.23 C ATOM 222 OE1 GLU A 17 -4.774 -11.388 -3.841 1.00 51.54 O ATOM 223 OE2 GLU A 17 -3.709 -9.508 -3.437 1.00 2.42 O ATOM 0 H GLU A 17 -6.027 -7.186 -7.066 1.00 72.33 H new ATOM 0 HA GLU A 17 -6.823 -9.936 -7.268 1.00 41.30 H new ATOM 0 HB2 GLU A 17 -6.141 -8.000 -5.051 1.00 25.14 H new ATOM 0 HB3 GLU A 17 -6.861 -9.550 -4.664 1.00 25.14 H new ATOM 0 HG2 GLU A 17 -4.928 -10.489 -6.224 1.00 31.53 H new ATOM 0 HG3 GLU A 17 -4.167 -8.954 -5.856 1.00 31.53 H new ATOM 230 N LYS A 18 -9.071 -7.715 -6.727 1.00 72.42 N ATOM 231 CA LYS A 18 -10.495 -7.478 -6.523 1.00 61.34 C ATOM 232 C LYS A 18 -11.269 -7.661 -7.825 1.00 31.10 C ATOM 233 O LYS A 18 -12.274 -6.990 -8.060 1.00 51.41 O ATOM 234 CB LYS A 18 -10.725 -6.067 -5.975 1.00 54.40 C ATOM 235 CG LYS A 18 -11.950 -5.954 -5.083 1.00 23.14 C ATOM 236 CD LYS A 18 -11.786 -4.854 -4.049 1.00 41.30 C ATOM 237 CE LYS A 18 -12.848 -4.946 -2.963 1.00 13.30 C ATOM 238 NZ LYS A 18 -14.217 -4.725 -3.506 1.00 70.21 N ATOM 0 H LYS A 18 -8.554 -6.906 -7.071 1.00 72.42 H new ATOM 0 HA LYS A 18 -10.859 -8.207 -5.799 1.00 61.34 H new ATOM 0 HB2 LYS A 18 -9.845 -5.757 -5.411 1.00 54.40 H new ATOM 0 HB3 LYS A 18 -10.829 -5.374 -6.810 1.00 54.40 H new ATOM 0 HG2 LYS A 18 -12.829 -5.752 -5.695 1.00 23.14 H new ATOM 0 HG3 LYS A 18 -12.124 -6.905 -4.580 1.00 23.14 H new ATOM 0 HD2 LYS A 18 -10.796 -4.922 -3.598 1.00 41.30 H new ATOM 0 HD3 LYS A 18 -11.847 -3.882 -4.538 1.00 41.30 H new ATOM 0 HE2 LYS A 18 -12.799 -5.926 -2.489 1.00 13.30 H new ATOM 0 HE3 LYS A 18 -12.641 -4.207 -2.189 1.00 13.30 H new ATOM 0 HZ1 LYS A 18 -14.908 -4.762 -2.730 1.00 70.21 H new ATOM 0 HZ2 LYS A 18 -14.262 -3.793 -3.966 1.00 70.21 H new ATOM 0 HZ3 LYS A 18 -14.438 -5.465 -4.202 1.00 70.21 H new ATOM 252 N ILE A 19 -10.795 -8.574 -8.666 1.00 25.51 N ATOM 253 CA ILE A 19 -11.445 -8.846 -9.942 1.00 2.22 C ATOM 254 C ILE A 19 -11.761 -10.330 -10.092 1.00 12.21 C ATOM 255 O ILE A 19 -10.883 -11.180 -9.947 1.00 13.10 O ATOM 256 CB ILE A 19 -10.569 -8.398 -11.127 1.00 20.44 C ATOM 257 CG1 ILE A 19 -10.269 -6.900 -11.030 1.00 4.42 C ATOM 258 CG2 ILE A 19 -11.254 -8.722 -12.445 1.00 14.02 C ATOM 259 CD1 ILE A 19 -9.076 -6.468 -11.853 1.00 4.43 C ATOM 0 H ILE A 19 -9.964 -9.137 -8.487 1.00 25.51 H new ATOM 0 HA ILE A 19 -12.374 -8.276 -9.951 1.00 2.22 H new ATOM 0 HB ILE A 19 -9.625 -8.942 -11.088 1.00 20.44 H new ATOM 0 HG12 ILE A 19 -11.146 -6.340 -11.355 1.00 4.42 H new ATOM 0 HG13 ILE A 19 -10.093 -6.640 -9.986 1.00 4.42 H new ATOM 0 HG21 ILE A 19 -10.622 -8.399 -13.272 1.00 14.02 H new ATOM 0 HG22 ILE A 19 -11.421 -9.797 -12.514 1.00 14.02 H new ATOM 0 HG23 ILE A 19 -12.211 -8.202 -12.495 1.00 14.02 H new ATOM 0 HD11 ILE A 19 -8.923 -5.395 -11.736 1.00 4.43 H new ATOM 0 HD12 ILE A 19 -8.188 -7.001 -11.513 1.00 4.43 H new ATOM 0 HD13 ILE A 19 -9.257 -6.696 -12.903 1.00 4.43 H new ATOM 271 N ARG A 20 -13.021 -10.633 -10.385 1.00 14.31 N ATOM 272 CA ARG A 20 -13.454 -12.016 -10.556 1.00 63.34 C ATOM 273 C ARG A 20 -13.211 -12.489 -11.985 1.00 60.40 C ATOM 274 O ARG A 20 -13.559 -11.801 -12.946 1.00 1.12 O ATOM 275 CB ARG A 20 -14.937 -12.155 -10.206 1.00 61.02 C ATOM 276 CG ARG A 20 -15.229 -12.014 -8.721 1.00 31.34 C ATOM 277 CD ARG A 20 -15.610 -10.587 -8.360 1.00 24.10 C ATOM 278 NE ARG A 20 -17.048 -10.361 -8.469 1.00 73.43 N ATOM 279 CZ ARG A 20 -17.923 -10.733 -7.542 1.00 42.31 C ATOM 280 NH1 ARG A 20 -17.508 -11.346 -6.441 1.00 23.50 N ATOM 281 NH2 ARG A 20 -19.217 -10.491 -7.713 1.00 42.11 N ATOM 0 H ARG A 20 -13.760 -9.941 -10.509 1.00 14.31 H new ATOM 0 HA ARG A 20 -12.868 -12.640 -9.881 1.00 63.34 H new ATOM 0 HB2 ARG A 20 -15.503 -11.400 -10.752 1.00 61.02 H new ATOM 0 HB3 ARG A 20 -15.292 -13.128 -10.547 1.00 61.02 H new ATOM 0 HG2 ARG A 20 -16.038 -12.689 -8.443 1.00 31.34 H new ATOM 0 HG3 ARG A 20 -14.352 -12.314 -8.147 1.00 31.34 H new ATOM 0 HD2 ARG A 20 -15.285 -10.371 -7.342 1.00 24.10 H new ATOM 0 HD3 ARG A 20 -15.083 -9.894 -9.016 1.00 24.10 H new ATOM 0 HE ARG A 20 -17.400 -9.891 -9.303 1.00 73.43 H new ATOM 0 HH11 ARG A 20 -16.515 -11.533 -6.305 1.00 23.50 H new ATOM 0 HH12 ARG A 20 -18.182 -11.631 -5.731 1.00 23.50 H new ATOM 0 HH21 ARG A 20 -19.540 -10.019 -8.557 1.00 42.11 H new ATOM 0 HH22 ARG A 20 -19.888 -10.777 -7.000 1.00 42.11 H new ATOM 295 N LEU A 21 -12.611 -13.667 -12.119 1.00 73.12 N ATOM 296 CA LEU A 21 -12.321 -14.233 -13.432 1.00 61.21 C ATOM 297 C LEU A 21 -13.593 -14.357 -14.266 1.00 43.32 C ATOM 298 O LEU A 21 -13.544 -14.342 -15.495 1.00 53.44 O ATOM 299 CB LEU A 21 -11.660 -15.604 -13.283 1.00 64.00 C ATOM 300 CG LEU A 21 -10.316 -15.626 -12.553 1.00 41.03 C ATOM 301 CD1 LEU A 21 -10.170 -16.904 -11.742 1.00 34.52 C ATOM 302 CD2 LEU A 21 -9.169 -15.484 -13.543 1.00 55.32 C ATOM 0 H LEU A 21 -12.316 -14.249 -11.335 1.00 73.12 H new ATOM 0 HA LEU A 21 -11.636 -13.560 -13.947 1.00 61.21 H new ATOM 0 HB2 LEU A 21 -12.349 -16.262 -12.753 1.00 64.00 H new ATOM 0 HB3 LEU A 21 -11.517 -16.026 -14.278 1.00 64.00 H new ATOM 0 HG LEU A 21 -10.283 -14.780 -11.867 1.00 41.03 H new ATOM 0 HD11 LEU A 21 -9.208 -16.902 -11.230 1.00 34.52 H new ATOM 0 HD12 LEU A 21 -10.973 -16.962 -11.007 1.00 34.52 H new ATOM 0 HD13 LEU A 21 -10.225 -17.766 -12.408 1.00 34.52 H new ATOM 0 HD21 LEU A 21 -8.221 -15.502 -13.006 1.00 55.32 H new ATOM 0 HD22 LEU A 21 -9.198 -16.309 -14.255 1.00 55.32 H new ATOM 0 HD23 LEU A 21 -9.265 -14.539 -14.078 1.00 55.32 H new ATOM 314 N ARG A 22 -14.729 -14.477 -13.586 1.00 71.21 N ATOM 315 CA ARG A 22 -16.015 -14.603 -14.264 1.00 24.14 C ATOM 316 C ARG A 22 -17.065 -13.713 -13.606 1.00 72.02 C ATOM 317 O ARG A 22 -16.930 -13.300 -12.454 1.00 71.54 O ATOM 318 CB ARG A 22 -16.482 -16.059 -14.251 1.00 24.51 C ATOM 319 CG ARG A 22 -16.131 -16.823 -15.517 1.00 45.22 C ATOM 320 CD ARG A 22 -15.768 -18.268 -15.213 1.00 5.12 C ATOM 321 NE ARG A 22 -16.950 -19.118 -15.108 1.00 15.35 N ATOM 322 CZ ARG A 22 -17.692 -19.478 -16.151 1.00 3.23 C ATOM 323 NH1 ARG A 22 -17.374 -19.063 -17.369 1.00 22.03 N ATOM 324 NH2 ARG A 22 -18.752 -20.256 -15.975 1.00 62.43 N ATOM 0 H ARG A 22 -14.786 -14.490 -12.568 1.00 71.21 H new ATOM 0 HA ARG A 22 -15.887 -14.280 -15.297 1.00 24.14 H new ATOM 0 HB2 ARG A 22 -16.037 -16.567 -13.395 1.00 24.51 H new ATOM 0 HB3 ARG A 22 -17.563 -16.084 -14.110 1.00 24.51 H new ATOM 0 HG2 ARG A 22 -16.976 -16.796 -16.206 1.00 45.22 H new ATOM 0 HG3 ARG A 22 -15.295 -16.334 -16.018 1.00 45.22 H new ATOM 0 HD2 ARG A 22 -15.115 -18.650 -15.997 1.00 5.12 H new ATOM 0 HD3 ARG A 22 -15.206 -18.312 -14.280 1.00 5.12 H new ATOM 0 HE ARG A 22 -17.222 -19.454 -14.184 1.00 15.35 H new ATOM 0 HH11 ARG A 22 -16.559 -18.466 -17.508 1.00 22.03 H new ATOM 0 HH12 ARG A 22 -17.945 -19.341 -18.168 1.00 22.03 H new ATOM 0 HH21 ARG A 22 -18.998 -20.578 -15.039 1.00 62.43 H new ATOM 0 HH22 ARG A 22 -19.321 -20.532 -16.776 1.00 62.43 H new ATOM 338 N PRO A 23 -18.137 -13.412 -14.353 1.00 71.24 N ATOM 339 CA PRO A 23 -19.232 -12.569 -13.863 1.00 44.41 C ATOM 340 C PRO A 23 -20.056 -13.261 -12.782 1.00 75.55 C ATOM 341 O PRO A 23 -20.566 -12.614 -11.868 1.00 3.42 O ATOM 342 CB PRO A 23 -20.081 -12.328 -15.112 1.00 75.13 C ATOM 343 CG PRO A 23 -19.797 -13.495 -15.995 1.00 24.53 C ATOM 344 CD PRO A 23 -18.364 -13.870 -15.734 1.00 44.30 C ATOM 0 HA PRO A 23 -18.866 -11.654 -13.398 1.00 44.41 H new ATOM 0 HB2 PRO A 23 -21.141 -12.268 -14.865 1.00 75.13 H new ATOM 0 HB3 PRO A 23 -19.813 -11.390 -15.598 1.00 75.13 H new ATOM 0 HG2 PRO A 23 -20.465 -14.326 -15.771 1.00 24.53 H new ATOM 0 HG3 PRO A 23 -19.949 -13.238 -17.043 1.00 24.53 H new ATOM 0 HD2 PRO A 23 -18.205 -14.944 -15.832 1.00 44.30 H new ATOM 0 HD3 PRO A 23 -17.687 -13.382 -16.435 1.00 44.30 H new ATOM 352 N GLY A 24 -20.185 -14.579 -12.896 1.00 4.31 N ATOM 353 CA GLY A 24 -20.949 -15.337 -11.921 1.00 61.40 C ATOM 354 C GLY A 24 -20.071 -16.212 -11.050 1.00 1.23 C ATOM 355 O GLY A 24 -20.478 -17.299 -10.640 1.00 0.32 O ATOM 0 H GLY A 24 -19.775 -15.136 -13.646 1.00 4.31 H new ATOM 0 HA2 GLY A 24 -21.511 -14.649 -11.290 1.00 61.40 H new ATOM 0 HA3 GLY A 24 -21.677 -15.960 -12.440 1.00 61.40 H new ATOM 359 N GLY A 25 -18.861 -15.741 -10.767 1.00 32.54 N ATOM 360 CA GLY A 25 -17.942 -16.502 -9.942 1.00 31.05 C ATOM 361 C GLY A 25 -17.366 -15.682 -8.805 1.00 53.14 C ATOM 362 O GLY A 25 -17.633 -14.484 -8.696 1.00 15.12 O ATOM 0 H GLY A 25 -18.500 -14.845 -11.095 1.00 32.54 H new ATOM 0 HA2 GLY A 25 -18.459 -17.370 -9.534 1.00 31.05 H new ATOM 0 HA3 GLY A 25 -17.129 -16.878 -10.562 1.00 31.05 H new ATOM 366 N LYS A 26 -16.577 -16.326 -7.952 1.00 74.44 N ATOM 367 CA LYS A 26 -15.963 -15.649 -6.817 1.00 45.41 C ATOM 368 C LYS A 26 -14.443 -15.648 -6.940 1.00 20.35 C ATOM 369 O LYS A 26 -13.766 -14.772 -6.401 1.00 62.10 O ATOM 370 CB LYS A 26 -16.378 -16.327 -5.508 1.00 23.31 C ATOM 371 CG LYS A 26 -17.651 -15.758 -4.906 1.00 1.51 C ATOM 372 CD LYS A 26 -18.813 -16.727 -5.043 1.00 74.24 C ATOM 373 CE LYS A 26 -20.131 -15.991 -5.234 1.00 52.52 C ATOM 374 NZ LYS A 26 -20.703 -15.532 -3.937 1.00 12.01 N ATOM 0 H LYS A 26 -16.348 -17.317 -8.026 1.00 74.44 H new ATOM 0 HA LYS A 26 -16.310 -14.616 -6.812 1.00 45.41 H new ATOM 0 HB2 LYS A 26 -16.516 -17.393 -5.689 1.00 23.31 H new ATOM 0 HB3 LYS A 26 -15.568 -16.229 -4.785 1.00 23.31 H new ATOM 0 HG2 LYS A 26 -17.487 -15.532 -3.852 1.00 1.51 H new ATOM 0 HG3 LYS A 26 -17.899 -14.818 -5.399 1.00 1.51 H new ATOM 0 HD2 LYS A 26 -18.638 -17.389 -5.891 1.00 74.24 H new ATOM 0 HD3 LYS A 26 -18.871 -17.356 -4.154 1.00 74.24 H new ATOM 0 HE2 LYS A 26 -19.976 -15.132 -5.887 1.00 52.52 H new ATOM 0 HE3 LYS A 26 -20.844 -16.647 -5.734 1.00 52.52 H new ATOM 0 HZ1 LYS A 26 -21.600 -15.035 -4.110 1.00 12.01 H new ATOM 0 HZ2 LYS A 26 -20.875 -16.354 -3.323 1.00 12.01 H new ATOM 0 HZ3 LYS A 26 -20.034 -14.886 -3.472 1.00 12.01 H new ATOM 388 N LYS A 27 -13.911 -16.633 -7.656 1.00 70.31 N ATOM 389 CA LYS A 27 -12.471 -16.744 -7.855 1.00 64.10 C ATOM 390 C LYS A 27 -11.890 -15.432 -8.372 1.00 41.35 C ATOM 391 O LYS A 27 -12.087 -15.070 -9.531 1.00 45.24 O ATOM 392 CB LYS A 27 -12.157 -17.875 -8.838 1.00 44.42 C ATOM 393 CG LYS A 27 -10.723 -18.370 -8.755 1.00 14.11 C ATOM 394 CD LYS A 27 -10.487 -19.550 -9.683 1.00 75.23 C ATOM 395 CE LYS A 27 -9.052 -20.047 -9.601 1.00 65.34 C ATOM 396 NZ LYS A 27 -8.430 -20.172 -10.947 1.00 73.43 N ATOM 0 H LYS A 27 -14.456 -17.367 -8.109 1.00 70.31 H new ATOM 0 HA LYS A 27 -12.013 -16.969 -6.892 1.00 64.10 H new ATOM 0 HB2 LYS A 27 -12.832 -18.709 -8.648 1.00 44.42 H new ATOM 0 HB3 LYS A 27 -12.355 -17.529 -9.853 1.00 44.42 H new ATOM 0 HG2 LYS A 27 -10.042 -17.560 -9.014 1.00 14.11 H new ATOM 0 HG3 LYS A 27 -10.496 -18.661 -7.729 1.00 14.11 H new ATOM 0 HD2 LYS A 27 -11.169 -20.360 -9.424 1.00 75.23 H new ATOM 0 HD3 LYS A 27 -10.714 -19.258 -10.708 1.00 75.23 H new ATOM 0 HE2 LYS A 27 -8.464 -19.360 -8.992 1.00 65.34 H new ATOM 0 HE3 LYS A 27 -9.031 -21.015 -9.100 1.00 65.34 H new ATOM 0 HZ1 LYS A 27 -7.453 -20.513 -10.847 1.00 73.43 H new ATOM 0 HZ2 LYS A 27 -8.976 -20.847 -11.520 1.00 73.43 H new ATOM 0 HZ3 LYS A 27 -8.426 -19.243 -11.415 1.00 73.43 H new ATOM 410 N GLN A 28 -11.173 -14.726 -7.504 1.00 65.43 N ATOM 411 CA GLN A 28 -10.563 -13.453 -7.874 1.00 12.52 C ATOM 412 C GLN A 28 -9.304 -13.676 -8.705 1.00 23.15 C ATOM 413 O GLN A 28 -8.915 -14.813 -8.971 1.00 54.12 O ATOM 414 CB GLN A 28 -10.225 -12.642 -6.623 1.00 45.10 C ATOM 415 CG GLN A 28 -11.361 -11.748 -6.153 1.00 44.52 C ATOM 416 CD GLN A 28 -11.332 -11.506 -4.656 1.00 41.41 C ATOM 417 OE1 GLN A 28 -11.289 -10.363 -4.201 1.00 4.51 O ATOM 418 NE2 GLN A 28 -11.356 -12.585 -3.881 1.00 73.13 N ATOM 0 H GLN A 28 -11.000 -15.013 -6.541 1.00 65.43 H new ATOM 0 HA GLN A 28 -11.281 -12.896 -8.476 1.00 12.52 H new ATOM 0 HB2 GLN A 28 -9.955 -13.326 -5.818 1.00 45.10 H new ATOM 0 HB3 GLN A 28 -9.349 -12.026 -6.825 1.00 45.10 H new ATOM 0 HG2 GLN A 28 -11.305 -10.792 -6.673 1.00 44.52 H new ATOM 0 HG3 GLN A 28 -12.313 -12.203 -6.425 1.00 44.52 H new ATOM 0 HE21 GLN A 28 -11.392 -13.514 -4.301 1.00 73.13 H new ATOM 0 HE22 GLN A 28 -11.339 -12.484 -2.866 1.00 73.13 H new ATOM 427 N TYR A 29 -8.670 -12.582 -9.113 1.00 32.05 N ATOM 428 CA TYR A 29 -7.455 -12.657 -9.917 1.00 75.35 C ATOM 429 C TYR A 29 -6.213 -12.636 -9.032 1.00 41.43 C ATOM 430 O TYR A 29 -6.210 -12.029 -7.960 1.00 2.52 O ATOM 431 CB TYR A 29 -7.405 -11.496 -10.912 1.00 14.12 C ATOM 432 CG TYR A 29 -7.900 -11.862 -12.294 1.00 72.04 C ATOM 433 CD1 TYR A 29 -7.073 -12.512 -13.200 1.00 32.24 C ATOM 434 CD2 TYR A 29 -9.196 -11.555 -12.692 1.00 3.21 C ATOM 435 CE1 TYR A 29 -7.521 -12.847 -14.464 1.00 4.52 C ATOM 436 CE2 TYR A 29 -9.653 -11.887 -13.953 1.00 45.54 C ATOM 437 CZ TYR A 29 -8.812 -12.533 -14.835 1.00 65.21 C ATOM 438 OH TYR A 29 -9.263 -12.864 -16.091 1.00 33.44 O ATOM 0 H TYR A 29 -8.977 -11.633 -8.900 1.00 32.05 H new ATOM 0 HA TYR A 29 -7.471 -13.598 -10.466 1.00 75.35 H new ATOM 0 HB2 TYR A 29 -8.005 -10.672 -10.527 1.00 14.12 H new ATOM 0 HB3 TYR A 29 -6.379 -11.136 -10.986 1.00 14.12 H new ATOM 0 HD1 TYR A 29 -6.062 -12.760 -12.912 1.00 32.24 H new ATOM 0 HD2 TYR A 29 -9.857 -11.049 -12.004 1.00 3.21 H new ATOM 0 HE1 TYR A 29 -6.864 -13.352 -15.157 1.00 4.52 H new ATOM 0 HE2 TYR A 29 -10.663 -11.642 -14.246 1.00 45.54 H new ATOM 0 HH TYR A 29 -10.162 -12.497 -16.223 1.00 33.44 H new ATOM 448 N LYS A 30 -5.159 -13.303 -9.487 1.00 32.03 N ATOM 449 CA LYS A 30 -3.908 -13.362 -8.740 1.00 22.02 C ATOM 450 C LYS A 30 -2.709 -13.231 -9.673 1.00 34.30 C ATOM 451 O LYS A 30 -2.837 -13.385 -10.889 1.00 41.12 O ATOM 452 CB LYS A 30 -3.819 -14.675 -7.957 1.00 30.45 C ATOM 453 CG LYS A 30 -4.028 -14.508 -6.462 1.00 22.52 C ATOM 454 CD LYS A 30 -4.701 -15.727 -5.854 1.00 5.15 C ATOM 455 CE LYS A 30 -4.076 -16.098 -4.517 1.00 74.33 C ATOM 456 NZ LYS A 30 -4.343 -17.518 -4.157 1.00 12.13 N ATOM 0 H LYS A 30 -5.146 -13.811 -10.371 1.00 32.03 H new ATOM 0 HA LYS A 30 -3.893 -12.527 -8.040 1.00 22.02 H new ATOM 0 HB2 LYS A 30 -4.564 -15.370 -8.344 1.00 30.45 H new ATOM 0 HB3 LYS A 30 -2.842 -15.126 -8.130 1.00 30.45 H new ATOM 0 HG2 LYS A 30 -3.067 -14.341 -5.976 1.00 22.52 H new ATOM 0 HG3 LYS A 30 -4.637 -13.624 -6.275 1.00 22.52 H new ATOM 0 HD2 LYS A 30 -5.764 -15.527 -5.717 1.00 5.15 H new ATOM 0 HD3 LYS A 30 -4.621 -16.569 -6.541 1.00 5.15 H new ATOM 0 HE2 LYS A 30 -3.000 -15.930 -4.560 1.00 74.33 H new ATOM 0 HE3 LYS A 30 -4.470 -15.445 -3.738 1.00 74.33 H new ATOM 0 HZ1 LYS A 30 -3.901 -17.733 -3.240 1.00 12.13 H new ATOM 0 HZ2 LYS A 30 -5.369 -17.672 -4.091 1.00 12.13 H new ATOM 0 HZ3 LYS A 30 -3.945 -18.142 -4.888 1.00 12.13 H new ATOM 470 N LEU A 31 -1.545 -12.949 -9.099 1.00 51.34 N ATOM 471 CA LEU A 31 -0.323 -12.799 -9.880 1.00 24.34 C ATOM 472 C LEU A 31 -0.107 -14.003 -10.791 1.00 72.23 C ATOM 473 O LEU A 31 0.452 -13.879 -11.881 1.00 53.20 O ATOM 474 CB LEU A 31 0.881 -12.626 -8.952 1.00 13.44 C ATOM 475 CG LEU A 31 1.713 -11.360 -9.160 1.00 54.11 C ATOM 476 CD1 LEU A 31 2.266 -11.311 -10.576 1.00 52.14 C ATOM 477 CD2 LEU A 31 0.880 -10.121 -8.867 1.00 31.34 C ATOM 0 H LEU A 31 -1.422 -12.820 -8.095 1.00 51.34 H new ATOM 0 HA LEU A 31 -0.426 -11.910 -10.502 1.00 24.34 H new ATOM 0 HB2 LEU A 31 0.525 -12.637 -7.922 1.00 13.44 H new ATOM 0 HB3 LEU A 31 1.535 -13.490 -9.073 1.00 13.44 H new ATOM 0 HG LEU A 31 2.553 -11.382 -8.465 1.00 54.11 H new ATOM 0 HD11 LEU A 31 2.855 -10.403 -10.705 1.00 52.14 H new ATOM 0 HD12 LEU A 31 2.898 -12.182 -10.750 1.00 52.14 H new ATOM 0 HD13 LEU A 31 1.441 -11.313 -11.289 1.00 52.14 H new ATOM 0 HD21 LEU A 31 1.488 -9.229 -9.020 1.00 31.34 H new ATOM 0 HD22 LEU A 31 0.021 -10.094 -9.537 1.00 31.34 H new ATOM 0 HD23 LEU A 31 0.534 -10.151 -7.834 1.00 31.34 H new ATOM 489 N LYS A 32 -0.559 -15.169 -10.340 1.00 43.32 N ATOM 490 CA LYS A 32 -0.420 -16.395 -11.114 1.00 10.54 C ATOM 491 C LYS A 32 -0.957 -16.209 -12.529 1.00 73.21 C ATOM 492 O LYS A 32 -0.388 -16.724 -13.493 1.00 64.54 O ATOM 493 CB LYS A 32 -1.157 -17.546 -10.424 1.00 70.34 C ATOM 494 CG LYS A 32 -0.530 -17.968 -9.108 1.00 62.31 C ATOM 495 CD LYS A 32 -0.696 -19.459 -8.864 1.00 52.00 C ATOM 496 CE LYS A 32 -0.029 -19.889 -7.566 1.00 24.43 C ATOM 497 NZ LYS A 32 0.350 -21.329 -7.589 1.00 42.22 N ATOM 0 H LYS A 32 -1.025 -15.289 -9.441 1.00 43.32 H new ATOM 0 HA LYS A 32 0.641 -16.637 -11.176 1.00 10.54 H new ATOM 0 HB2 LYS A 32 -2.191 -17.249 -10.246 1.00 70.34 H new ATOM 0 HB3 LYS A 32 -1.183 -18.404 -11.096 1.00 70.34 H new ATOM 0 HG2 LYS A 32 0.530 -17.715 -9.111 1.00 62.31 H new ATOM 0 HG3 LYS A 32 -0.988 -17.411 -8.291 1.00 62.31 H new ATOM 0 HD2 LYS A 32 -1.757 -19.707 -8.829 1.00 52.00 H new ATOM 0 HD3 LYS A 32 -0.266 -20.015 -9.697 1.00 52.00 H new ATOM 0 HE2 LYS A 32 0.860 -19.282 -7.396 1.00 24.43 H new ATOM 0 HE3 LYS A 32 -0.705 -19.705 -6.731 1.00 24.43 H new ATOM 0 HZ1 LYS A 32 0.801 -21.584 -6.687 1.00 42.22 H new ATOM 0 HZ2 LYS A 32 -0.502 -21.910 -7.726 1.00 42.22 H new ATOM 0 HZ3 LYS A 32 1.015 -21.500 -8.370 1.00 42.22 H new ATOM 511 N HIS A 33 -2.055 -15.470 -12.648 1.00 73.34 N ATOM 512 CA HIS A 33 -2.669 -15.213 -13.947 1.00 24.03 C ATOM 513 C HIS A 33 -1.865 -14.180 -14.732 1.00 0.42 C ATOM 514 O HIS A 33 -1.771 -14.343 -15.948 1.00 32.44 O ATOM 515 CB HIS A 33 -4.107 -14.726 -13.769 1.00 2.50 C ATOM 516 CG HIS A 33 -4.900 -15.546 -12.797 1.00 51.11 C ATOM 517 ND1 HIS A 33 -5.723 -14.991 -11.839 1.00 10.34 N ATOM 518 CD2 HIS A 33 -4.994 -16.888 -12.639 1.00 25.32 C ATOM 519 CE1 HIS A 33 -6.287 -15.956 -11.135 1.00 2.51 C ATOM 520 NE2 HIS A 33 -5.861 -17.116 -11.601 1.00 52.42 N ATOM 0 H HIS A 33 -2.539 -15.038 -11.861 1.00 73.34 H new ATOM 0 HA HIS A 33 -2.677 -16.147 -14.508 1.00 24.03 H new ATOM 0 HB2 HIS A 33 -4.092 -13.690 -13.431 1.00 2.50 H new ATOM 0 HB3 HIS A 33 -4.609 -14.738 -14.737 1.00 2.50 H new ATOM 0 HD2 HIS A 33 -4.482 -17.639 -13.222 1.00 25.32 H new ATOM 0 HE1 HIS A 33 -6.979 -15.820 -10.317 1.00 2.51 H new ATOM 0 HE2 HIS A 33 -6.133 -18.033 -11.246 1.00 52.42 H new ATOM 528 N ILE A 34 -1.302 -13.160 -14.093 1.00 31.01 N ATOM 529 CA ILE A 34 -0.525 -12.152 -14.801 1.00 65.11 C ATOM 530 C ILE A 34 0.719 -12.762 -15.437 1.00 32.25 C ATOM 531 O ILE A 34 1.118 -12.380 -16.537 1.00 13.13 O ATOM 532 CB ILE A 34 -0.097 -11.008 -13.860 1.00 74.53 C ATOM 533 CG1 ILE A 34 -1.321 -10.411 -13.160 1.00 4.13 C ATOM 534 CG2 ILE A 34 0.650 -9.935 -14.638 1.00 3.13 C ATOM 535 CD1 ILE A 34 -0.969 -9.421 -12.071 1.00 33.22 C ATOM 0 H ILE A 34 -1.370 -13.010 -13.086 1.00 31.01 H new ATOM 0 HA ILE A 34 -1.169 -11.749 -15.582 1.00 65.11 H new ATOM 0 HB ILE A 34 0.573 -11.412 -13.101 1.00 74.53 H new ATOM 0 HG12 ILE A 34 -1.948 -9.916 -13.901 1.00 4.13 H new ATOM 0 HG13 ILE A 34 -1.913 -11.218 -12.729 1.00 4.13 H new ATOM 0 HG21 ILE A 34 0.946 -9.134 -13.961 1.00 3.13 H new ATOM 0 HG22 ILE A 34 1.539 -10.370 -15.096 1.00 3.13 H new ATOM 0 HG23 ILE A 34 0.002 -9.532 -15.416 1.00 3.13 H new ATOM 0 HD11 ILE A 34 -1.883 -9.038 -11.618 1.00 33.22 H new ATOM 0 HD12 ILE A 34 -0.367 -9.917 -11.309 1.00 33.22 H new ATOM 0 HD13 ILE A 34 -0.403 -8.594 -12.500 1.00 33.22 H new ATOM 547 N VAL A 35 1.328 -13.715 -14.738 1.00 63.11 N ATOM 548 CA VAL A 35 2.525 -14.382 -15.236 1.00 0.33 C ATOM 549 C VAL A 35 2.174 -15.428 -16.289 1.00 61.32 C ATOM 550 O VAL A 35 2.898 -15.602 -17.269 1.00 34.33 O ATOM 551 CB VAL A 35 3.305 -15.061 -14.094 1.00 23.22 C ATOM 552 CG1 VAL A 35 4.532 -15.777 -14.638 1.00 13.40 C ATOM 553 CG2 VAL A 35 3.698 -14.040 -13.038 1.00 52.22 C ATOM 0 H VAL A 35 1.012 -14.042 -13.825 1.00 63.11 H new ATOM 0 HA VAL A 35 3.152 -13.613 -15.687 1.00 0.33 H new ATOM 0 HB VAL A 35 2.658 -15.803 -13.626 1.00 23.22 H new ATOM 0 HG11 VAL A 35 5.071 -16.251 -13.817 1.00 13.40 H new ATOM 0 HG12 VAL A 35 4.222 -16.537 -15.355 1.00 13.40 H new ATOM 0 HG13 VAL A 35 5.184 -15.057 -15.132 1.00 13.40 H new ATOM 0 HG21 VAL A 35 4.248 -14.537 -12.239 1.00 52.22 H new ATOM 0 HG22 VAL A 35 4.327 -13.273 -13.490 1.00 52.22 H new ATOM 0 HG23 VAL A 35 2.801 -13.577 -12.628 1.00 52.22 H new ATOM 563 N TRP A 36 1.060 -16.118 -16.079 1.00 14.34 N ATOM 564 CA TRP A 36 0.613 -17.148 -17.012 1.00 61.05 C ATOM 565 C TRP A 36 0.502 -16.590 -18.426 1.00 24.43 C ATOM 566 O TRP A 36 0.789 -17.284 -19.401 1.00 63.24 O ATOM 567 CB TRP A 36 -0.737 -17.715 -16.567 1.00 21.44 C ATOM 568 CG TRP A 36 -1.313 -18.703 -17.537 1.00 41.43 C ATOM 569 CD1 TRP A 36 -1.267 -20.065 -17.443 1.00 31.13 C ATOM 570 CD2 TRP A 36 -2.021 -18.406 -18.745 1.00 4.02 C ATOM 571 NE1 TRP A 36 -1.903 -20.631 -18.521 1.00 14.31 N ATOM 572 CE2 TRP A 36 -2.375 -19.636 -19.334 1.00 24.13 C ATOM 573 CE3 TRP A 36 -2.392 -17.221 -19.385 1.00 22.45 C ATOM 574 CZ2 TRP A 36 -3.080 -19.711 -20.532 1.00 14.32 C ATOM 575 CZ3 TRP A 36 -3.091 -17.298 -20.575 1.00 63.12 C ATOM 576 CH2 TRP A 36 -3.430 -18.535 -21.138 1.00 2.23 C ATOM 0 H TRP A 36 0.450 -15.984 -15.273 1.00 14.34 H new ATOM 0 HA TRP A 36 1.353 -17.948 -17.014 1.00 61.05 H new ATOM 0 HB2 TRP A 36 -0.619 -18.196 -15.596 1.00 21.44 H new ATOM 0 HB3 TRP A 36 -1.442 -16.894 -16.433 1.00 21.44 H new ATOM 0 HD1 TRP A 36 -0.800 -20.615 -16.640 1.00 31.13 H new ATOM 0 HE1 TRP A 36 -2.007 -21.632 -18.689 1.00 14.31 H new ATOM 0 HE3 TRP A 36 -2.137 -16.262 -18.958 1.00 22.45 H new ATOM 0 HZ2 TRP A 36 -3.342 -20.664 -20.968 1.00 14.32 H new ATOM 0 HZ3 TRP A 36 -3.381 -16.388 -21.080 1.00 63.12 H new ATOM 0 HH2 TRP A 36 -3.978 -18.561 -22.068 1.00 2.23 H new ATOM 587 N ALA A 37 0.087 -15.331 -18.531 1.00 55.31 N ATOM 588 CA ALA A 37 -0.059 -14.681 -19.828 1.00 42.21 C ATOM 589 C ALA A 37 1.296 -14.254 -20.383 1.00 45.42 C ATOM 590 O ALA A 37 1.568 -14.411 -21.572 1.00 55.15 O ATOM 591 CB ALA A 37 -0.986 -13.481 -19.714 1.00 72.44 C ATOM 0 H ALA A 37 -0.154 -14.742 -17.734 1.00 55.31 H new ATOM 0 HA ALA A 37 -0.496 -15.400 -20.521 1.00 42.21 H new ATOM 0 HB1 ALA A 37 -1.086 -13.005 -20.689 1.00 72.44 H new ATOM 0 HB2 ALA A 37 -1.966 -13.810 -19.368 1.00 72.44 H new ATOM 0 HB3 ALA A 37 -0.571 -12.767 -19.003 1.00 72.44 H new ATOM 597 N SER A 38 2.143 -13.713 -19.511 1.00 73.23 N ATOM 598 CA SER A 38 3.468 -13.259 -19.916 1.00 31.14 C ATOM 599 C SER A 38 4.248 -14.386 -20.585 1.00 14.42 C ATOM 600 O SER A 38 4.899 -14.184 -21.610 1.00 60.13 O ATOM 601 CB SER A 38 4.244 -12.736 -18.705 1.00 54.23 C ATOM 602 OG SER A 38 5.221 -13.672 -18.283 1.00 23.22 O ATOM 0 H SER A 38 1.935 -13.579 -18.522 1.00 73.23 H new ATOM 0 HA SER A 38 3.343 -12.450 -20.636 1.00 31.14 H new ATOM 0 HB2 SER A 38 4.726 -11.792 -18.958 1.00 54.23 H new ATOM 0 HB3 SER A 38 3.553 -12.532 -17.887 1.00 54.23 H new ATOM 0 HG SER A 38 5.704 -13.314 -17.509 1.00 23.22 H new ATOM 608 N ARG A 39 4.178 -15.577 -19.997 1.00 72.33 N ATOM 609 CA ARG A 39 4.877 -16.738 -20.534 1.00 42.12 C ATOM 610 C ARG A 39 4.260 -17.180 -21.858 1.00 72.14 C ATOM 611 O ARG A 39 4.930 -17.785 -22.694 1.00 4.40 O ATOM 612 CB ARG A 39 4.839 -17.891 -19.531 1.00 10.54 C ATOM 613 CG ARG A 39 6.207 -18.272 -18.988 1.00 34.03 C ATOM 614 CD ARG A 39 6.784 -17.174 -18.109 1.00 32.03 C ATOM 615 NE ARG A 39 7.945 -16.536 -18.721 1.00 24.54 N ATOM 616 CZ ARG A 39 8.484 -15.406 -18.275 1.00 71.42 C ATOM 617 NH1 ARG A 39 7.967 -14.794 -17.219 1.00 41.22 N ATOM 618 NH2 ARG A 39 9.541 -14.887 -18.886 1.00 73.42 N ATOM 0 H ARG A 39 3.644 -15.762 -19.148 1.00 72.33 H new ATOM 0 HA ARG A 39 5.914 -16.456 -20.713 1.00 42.12 H new ATOM 0 HB2 ARG A 39 4.191 -17.616 -18.699 1.00 10.54 H new ATOM 0 HB3 ARG A 39 4.392 -18.763 -20.009 1.00 10.54 H new ATOM 0 HG2 ARG A 39 6.127 -19.195 -18.414 1.00 34.03 H new ATOM 0 HG3 ARG A 39 6.886 -18.470 -19.817 1.00 34.03 H new ATOM 0 HD2 ARG A 39 6.017 -16.423 -17.917 1.00 32.03 H new ATOM 0 HD3 ARG A 39 7.068 -17.594 -17.144 1.00 32.03 H new ATOM 0 HE ARG A 39 8.366 -16.982 -19.536 1.00 24.54 H new ATOM 0 HH11 ARG A 39 7.154 -15.190 -16.747 1.00 41.22 H new ATOM 0 HH12 ARG A 39 8.382 -13.927 -16.878 1.00 41.22 H new ATOM 0 HH21 ARG A 39 9.941 -15.355 -19.699 1.00 73.42 H new ATOM 0 HH22 ARG A 39 9.954 -14.020 -18.543 1.00 73.42 H new ATOM 632 N GLU A 40 2.979 -16.873 -22.040 1.00 42.11 N ATOM 633 CA GLU A 40 2.272 -17.240 -23.260 1.00 12.25 C ATOM 634 C GLU A 40 2.597 -16.267 -24.390 1.00 75.15 C ATOM 635 O GLU A 40 2.741 -16.666 -25.547 1.00 11.13 O ATOM 636 CB GLU A 40 0.763 -17.269 -23.014 1.00 51.31 C ATOM 637 CG GLU A 40 0.022 -18.270 -23.884 1.00 60.21 C ATOM 638 CD GLU A 40 -0.438 -17.671 -25.199 1.00 13.14 C ATOM 639 OE1 GLU A 40 0.071 -16.594 -25.572 1.00 65.13 O ATOM 640 OE2 GLU A 40 -1.306 -18.282 -25.857 1.00 52.40 O ATOM 0 H GLU A 40 2.411 -16.371 -21.358 1.00 42.11 H new ATOM 0 HA GLU A 40 2.602 -18.236 -23.555 1.00 12.25 H new ATOM 0 HB2 GLU A 40 0.579 -17.506 -21.966 1.00 51.31 H new ATOM 0 HB3 GLU A 40 0.355 -16.274 -23.192 1.00 51.31 H new ATOM 0 HG2 GLU A 40 0.671 -19.122 -24.085 1.00 60.21 H new ATOM 0 HG3 GLU A 40 -0.843 -18.649 -23.339 1.00 60.21 H new ATOM 647 N LEU A 41 2.707 -14.989 -24.048 1.00 4.04 N ATOM 648 CA LEU A 41 3.014 -13.956 -25.032 1.00 13.30 C ATOM 649 C LEU A 41 4.269 -14.312 -25.822 1.00 4.44 C ATOM 650 O LEU A 41 4.280 -14.250 -27.050 1.00 62.43 O ATOM 651 CB LEU A 41 3.197 -12.604 -24.342 1.00 55.34 C ATOM 652 CG LEU A 41 1.917 -11.821 -24.050 1.00 71.21 C ATOM 653 CD1 LEU A 41 2.237 -10.528 -23.316 1.00 4.30 C ATOM 654 CD2 LEU A 41 1.163 -11.530 -25.339 1.00 72.51 C ATOM 0 H LEU A 41 2.588 -14.642 -23.096 1.00 4.04 H new ATOM 0 HA LEU A 41 2.177 -13.891 -25.727 1.00 13.30 H new ATOM 0 HB2 LEU A 41 3.722 -12.767 -23.401 1.00 55.34 H new ATOM 0 HB3 LEU A 41 3.843 -11.985 -24.965 1.00 55.34 H new ATOM 0 HG LEU A 41 1.280 -12.431 -23.409 1.00 71.21 H new ATOM 0 HD11 LEU A 41 1.313 -9.984 -23.117 1.00 4.30 H new ATOM 0 HD12 LEU A 41 2.733 -10.758 -22.373 1.00 4.30 H new ATOM 0 HD13 LEU A 41 2.894 -9.913 -23.931 1.00 4.30 H new ATOM 0 HD21 LEU A 41 0.255 -10.972 -25.111 1.00 72.51 H new ATOM 0 HD22 LEU A 41 1.794 -10.940 -26.004 1.00 72.51 H new ATOM 0 HD23 LEU A 41 0.899 -12.469 -25.826 1.00 72.51 H new ATOM 666 N GLU A 42 5.326 -14.688 -25.106 1.00 53.13 N ATOM 667 CA GLU A 42 6.586 -15.055 -25.741 1.00 41.32 C ATOM 668 C GLU A 42 6.377 -16.168 -26.763 1.00 72.43 C ATOM 669 O GLU A 42 7.144 -16.302 -27.717 1.00 63.00 O ATOM 670 CB GLU A 42 7.602 -15.499 -24.687 1.00 14.41 C ATOM 671 CG GLU A 42 8.718 -14.496 -24.455 1.00 42.25 C ATOM 672 CD GLU A 42 10.035 -14.935 -25.065 1.00 3.31 C ATOM 673 OE1 GLU A 42 10.764 -15.708 -24.409 1.00 13.20 O ATOM 674 OE2 GLU A 42 10.336 -14.505 -26.198 1.00 4.33 O ATOM 0 H GLU A 42 5.334 -14.746 -24.088 1.00 53.13 H new ATOM 0 HA GLU A 42 6.971 -14.177 -26.260 1.00 41.32 H new ATOM 0 HB2 GLU A 42 7.082 -15.675 -23.745 1.00 14.41 H new ATOM 0 HB3 GLU A 42 8.038 -16.450 -24.993 1.00 14.41 H new ATOM 0 HG2 GLU A 42 8.430 -13.533 -24.877 1.00 42.25 H new ATOM 0 HG3 GLU A 42 8.850 -14.347 -23.383 1.00 42.25 H new ATOM 681 N ARG A 43 5.332 -16.963 -26.558 1.00 60.30 N ATOM 682 CA ARG A 43 5.021 -18.066 -27.460 1.00 24.54 C ATOM 683 C ARG A 43 4.413 -17.549 -28.760 1.00 33.22 C ATOM 684 O ARG A 43 4.538 -18.180 -29.811 1.00 64.35 O ATOM 685 CB ARG A 43 4.059 -19.047 -26.789 1.00 5.13 C ATOM 686 CG ARG A 43 4.094 -20.442 -27.391 1.00 51.13 C ATOM 687 CD ARG A 43 3.214 -20.537 -28.628 1.00 53.03 C ATOM 688 NE ARG A 43 2.588 -21.850 -28.755 1.00 4.14 N ATOM 689 CZ ARG A 43 2.090 -22.320 -29.893 1.00 20.42 C ATOM 690 NH1 ARG A 43 2.145 -21.588 -30.997 1.00 43.31 N ATOM 691 NH2 ARG A 43 1.536 -23.526 -29.929 1.00 23.33 N ATOM 0 H ARG A 43 4.686 -16.864 -25.775 1.00 60.30 H new ATOM 0 HA ARG A 43 5.951 -18.584 -27.694 1.00 24.54 H new ATOM 0 HB2 ARG A 43 4.301 -19.112 -25.728 1.00 5.13 H new ATOM 0 HB3 ARG A 43 3.045 -18.655 -26.861 1.00 5.13 H new ATOM 0 HG2 ARG A 43 5.120 -20.701 -27.652 1.00 51.13 H new ATOM 0 HG3 ARG A 43 3.761 -21.168 -26.649 1.00 51.13 H new ATOM 0 HD2 ARG A 43 2.441 -19.770 -28.583 1.00 53.03 H new ATOM 0 HD3 ARG A 43 3.813 -20.334 -29.516 1.00 53.03 H new ATOM 0 HE ARG A 43 2.530 -22.439 -27.924 1.00 4.14 H new ATOM 0 HH11 ARG A 43 2.571 -20.661 -30.974 1.00 43.31 H new ATOM 0 HH12 ARG A 43 1.762 -21.952 -31.870 1.00 43.31 H new ATOM 0 HH21 ARG A 43 1.492 -24.093 -29.082 1.00 23.33 H new ATOM 0 HH22 ARG A 43 1.154 -23.886 -30.804 1.00 23.33 H new ATOM 705 N PHE A 44 3.753 -16.397 -28.683 1.00 12.31 N ATOM 706 CA PHE A 44 3.124 -15.797 -29.853 1.00 70.31 C ATOM 707 C PHE A 44 4.022 -14.725 -30.464 1.00 54.53 C ATOM 708 O PHE A 44 3.544 -13.797 -31.115 1.00 54.22 O ATOM 709 CB PHE A 44 1.771 -15.190 -29.475 1.00 62.13 C ATOM 710 CG PHE A 44 0.644 -16.183 -29.486 1.00 63.42 C ATOM 711 CD1 PHE A 44 0.717 -17.342 -28.730 1.00 1.04 C ATOM 712 CD2 PHE A 44 -0.489 -15.957 -30.250 1.00 31.42 C ATOM 713 CE1 PHE A 44 -0.318 -18.258 -28.739 1.00 22.42 C ATOM 714 CE2 PHE A 44 -1.527 -16.869 -30.263 1.00 51.21 C ATOM 715 CZ PHE A 44 -1.442 -18.021 -29.506 1.00 45.24 C ATOM 0 H PHE A 44 3.640 -15.861 -27.822 1.00 12.31 H new ATOM 0 HA PHE A 44 2.969 -16.581 -30.594 1.00 70.31 H new ATOM 0 HB2 PHE A 44 1.845 -14.748 -28.482 1.00 62.13 H new ATOM 0 HB3 PHE A 44 1.539 -14.381 -30.168 1.00 62.13 H new ATOM 0 HD1 PHE A 44 1.593 -17.532 -28.127 1.00 1.04 H new ATOM 0 HD2 PHE A 44 -0.562 -15.057 -30.843 1.00 31.42 H new ATOM 0 HE1 PHE A 44 -0.248 -19.158 -28.147 1.00 22.42 H new ATOM 0 HE2 PHE A 44 -2.404 -16.681 -30.865 1.00 51.21 H new ATOM 0 HZ PHE A 44 -2.252 -18.735 -29.514 1.00 45.24 H new ATOM 725 N ALA A 45 5.326 -14.861 -30.247 1.00 60.31 N ATOM 726 CA ALA A 45 6.292 -13.907 -30.777 1.00 22.21 C ATOM 727 C ALA A 45 6.072 -12.518 -30.186 1.00 71.41 C ATOM 728 O ALA A 45 6.482 -11.513 -30.767 1.00 23.01 O ATOM 729 CB ALA A 45 6.205 -13.856 -32.295 1.00 25.42 C ATOM 0 H ALA A 45 5.738 -15.623 -29.708 1.00 60.31 H new ATOM 0 HA ALA A 45 7.290 -14.241 -30.492 1.00 22.21 H new ATOM 0 HB1 ALA A 45 6.932 -13.139 -32.677 1.00 25.42 H new ATOM 0 HB2 ALA A 45 6.418 -14.843 -32.705 1.00 25.42 H new ATOM 0 HB3 ALA A 45 5.202 -13.549 -32.592 1.00 25.42 H new ATOM 735 N VAL A 46 5.422 -12.469 -29.028 1.00 24.03 N ATOM 736 CA VAL A 46 5.148 -11.204 -28.357 1.00 34.42 C ATOM 737 C VAL A 46 5.858 -11.131 -27.011 1.00 64.55 C ATOM 738 O VAL A 46 5.947 -12.123 -26.289 1.00 61.53 O ATOM 739 CB VAL A 46 3.637 -10.998 -28.141 1.00 4.54 C ATOM 740 CG1 VAL A 46 3.376 -9.702 -27.390 1.00 21.23 C ATOM 741 CG2 VAL A 46 2.902 -11.011 -29.473 1.00 52.12 C ATOM 0 H VAL A 46 5.075 -13.291 -28.535 1.00 24.03 H new ATOM 0 HA VAL A 46 5.525 -10.414 -29.006 1.00 34.42 H new ATOM 0 HB VAL A 46 3.259 -11.822 -27.536 1.00 4.54 H new ATOM 0 HG11 VAL A 46 2.303 -9.574 -27.247 1.00 21.23 H new ATOM 0 HG12 VAL A 46 3.870 -9.738 -26.419 1.00 21.23 H new ATOM 0 HG13 VAL A 46 3.768 -8.863 -27.965 1.00 21.23 H new ATOM 0 HG21 VAL A 46 1.836 -10.864 -29.302 1.00 52.12 H new ATOM 0 HG22 VAL A 46 3.282 -10.209 -30.106 1.00 52.12 H new ATOM 0 HG23 VAL A 46 3.061 -11.969 -29.967 1.00 52.12 H new ATOM 751 N ASN A 47 6.362 -9.946 -26.678 1.00 21.13 N ATOM 752 CA ASN A 47 7.066 -9.742 -25.416 1.00 14.12 C ATOM 753 C ASN A 47 6.081 -9.477 -24.281 1.00 21.24 C ATOM 754 O ASN A 47 5.064 -8.805 -24.453 1.00 63.14 O ATOM 755 CB ASN A 47 8.048 -8.575 -25.538 1.00 54.02 C ATOM 756 CG ASN A 47 9.398 -9.009 -26.073 1.00 34.13 C ATOM 757 OD1 ASN A 47 9.533 -10.090 -26.647 1.00 64.51 O ATOM 758 ND2 ASN A 47 10.407 -8.165 -25.886 1.00 13.34 N ATOM 0 H ASN A 47 6.296 -9.114 -27.264 1.00 21.13 H new ATOM 0 HA ASN A 47 7.621 -10.652 -25.187 1.00 14.12 H new ATOM 0 HB2 ASN A 47 7.626 -7.816 -26.197 1.00 54.02 H new ATOM 0 HB3 ASN A 47 8.180 -8.111 -24.561 1.00 54.02 H new ATOM 0 HD21 ASN A 47 11.340 -8.402 -26.224 1.00 13.34 H new ATOM 0 HD22 ASN A 47 10.249 -7.280 -25.405 1.00 13.34 H new ATOM 765 N PRO A 48 6.389 -10.016 -23.093 1.00 11.52 N ATOM 766 CA PRO A 48 5.545 -9.851 -21.905 1.00 13.24 C ATOM 767 C PRO A 48 5.567 -8.422 -21.373 1.00 11.44 C ATOM 768 O PRO A 48 4.799 -8.071 -20.479 1.00 73.22 O ATOM 769 CB PRO A 48 6.170 -10.810 -20.890 1.00 11.52 C ATOM 770 CG PRO A 48 7.591 -10.941 -21.316 1.00 4.35 C ATOM 771 CD PRO A 48 7.586 -10.830 -22.816 1.00 54.05 C ATOM 0 HA PRO A 48 4.496 -10.059 -22.117 1.00 13.24 H new ATOM 0 HB2 PRO A 48 6.096 -10.417 -19.876 1.00 11.52 H new ATOM 0 HB3 PRO A 48 5.665 -11.776 -20.895 1.00 11.52 H new ATOM 0 HG2 PRO A 48 8.206 -10.160 -20.869 1.00 4.35 H new ATOM 0 HG3 PRO A 48 8.008 -11.896 -20.997 1.00 4.35 H new ATOM 0 HD2 PRO A 48 8.492 -10.351 -23.187 1.00 54.05 H new ATOM 0 HD3 PRO A 48 7.525 -11.809 -23.291 1.00 54.05 H new ATOM 779 N GLY A 49 6.455 -7.602 -21.929 1.00 40.10 N ATOM 780 CA GLY A 49 6.560 -6.221 -21.496 1.00 23.43 C ATOM 781 C GLY A 49 5.521 -5.329 -22.148 1.00 22.24 C ATOM 782 O GLY A 49 5.595 -4.104 -22.048 1.00 64.33 O ATOM 0 H GLY A 49 7.102 -7.870 -22.670 1.00 40.10 H new ATOM 0 HA2 GLY A 49 6.447 -6.173 -20.413 1.00 23.43 H new ATOM 0 HA3 GLY A 49 7.556 -5.845 -21.730 1.00 23.43 H new ATOM 786 N LEU A 50 4.554 -5.943 -22.818 1.00 74.14 N ATOM 787 CA LEU A 50 3.496 -5.196 -23.491 1.00 12.54 C ATOM 788 C LEU A 50 2.262 -5.080 -22.602 1.00 42.34 C ATOM 789 O LEU A 50 1.474 -4.142 -22.736 1.00 11.41 O ATOM 790 CB LEU A 50 3.125 -5.875 -24.811 1.00 13.52 C ATOM 791 CG LEU A 50 4.233 -5.949 -25.862 1.00 41.42 C ATOM 792 CD1 LEU A 50 3.697 -6.526 -27.163 1.00 72.11 C ATOM 793 CD2 LEU A 50 4.838 -4.572 -26.097 1.00 3.12 C ATOM 0 H LEU A 50 4.479 -6.956 -22.911 1.00 74.14 H new ATOM 0 HA LEU A 50 3.869 -4.193 -23.698 1.00 12.54 H new ATOM 0 HB2 LEU A 50 2.790 -6.889 -24.593 1.00 13.52 H new ATOM 0 HB3 LEU A 50 2.276 -5.345 -25.243 1.00 13.52 H new ATOM 0 HG LEU A 50 5.016 -6.610 -25.490 1.00 41.42 H new ATOM 0 HD11 LEU A 50 4.500 -6.571 -27.899 1.00 72.11 H new ATOM 0 HD12 LEU A 50 3.312 -7.530 -26.984 1.00 72.11 H new ATOM 0 HD13 LEU A 50 2.895 -5.891 -27.539 1.00 72.11 H new ATOM 0 HD21 LEU A 50 5.625 -4.644 -26.848 1.00 3.12 H new ATOM 0 HD22 LEU A 50 4.064 -3.889 -26.447 1.00 3.12 H new ATOM 0 HD23 LEU A 50 5.259 -4.196 -25.165 1.00 3.12 H new ATOM 805 N LEU A 51 2.101 -6.035 -21.693 1.00 1.34 N ATOM 806 CA LEU A 51 0.964 -6.038 -20.780 1.00 3.22 C ATOM 807 C LEU A 51 1.138 -4.985 -19.690 1.00 11.30 C ATOM 808 O LEU A 51 0.160 -4.487 -19.133 1.00 32.14 O ATOM 809 CB LEU A 51 0.798 -7.421 -20.146 1.00 34.14 C ATOM 810 CG LEU A 51 0.820 -8.607 -21.111 1.00 12.34 C ATOM 811 CD1 LEU A 51 1.006 -9.911 -20.349 1.00 4.21 C ATOM 812 CD2 LEU A 51 -0.458 -8.648 -21.936 1.00 14.21 C ATOM 0 H LEU A 51 2.744 -6.817 -21.569 1.00 1.34 H new ATOM 0 HA LEU A 51 0.069 -5.797 -21.353 1.00 3.22 H new ATOM 0 HB2 LEU A 51 1.592 -7.560 -19.412 1.00 34.14 H new ATOM 0 HB3 LEU A 51 -0.146 -7.438 -19.601 1.00 34.14 H new ATOM 0 HG LEU A 51 1.663 -8.482 -21.790 1.00 12.34 H new ATOM 0 HD11 LEU A 51 1.019 -10.744 -21.052 1.00 4.21 H new ATOM 0 HD12 LEU A 51 1.949 -9.882 -19.803 1.00 4.21 H new ATOM 0 HD13 LEU A 51 0.183 -10.042 -19.646 1.00 4.21 H new ATOM 0 HD21 LEU A 51 -0.424 -9.498 -22.617 1.00 14.21 H new ATOM 0 HD22 LEU A 51 -1.317 -8.748 -21.272 1.00 14.21 H new ATOM 0 HD23 LEU A 51 -0.550 -7.726 -22.511 1.00 14.21 H new ATOM 824 N GLU A 52 2.390 -4.650 -19.392 1.00 51.21 N ATOM 825 CA GLU A 52 2.691 -3.655 -18.370 1.00 53.30 C ATOM 826 C GLU A 52 2.415 -2.246 -18.884 1.00 34.51 C ATOM 827 O GLU A 52 2.491 -1.272 -18.135 1.00 63.14 O ATOM 828 CB GLU A 52 4.152 -3.771 -17.927 1.00 14.11 C ATOM 829 CG GLU A 52 5.144 -3.666 -19.073 1.00 21.24 C ATOM 830 CD GLU A 52 6.371 -2.853 -18.709 1.00 40.23 C ATOM 831 OE1 GLU A 52 6.212 -1.667 -18.352 1.00 75.03 O ATOM 832 OE2 GLU A 52 7.490 -3.402 -18.781 1.00 5.14 O ATOM 0 H GLU A 52 3.211 -5.053 -19.844 1.00 51.21 H new ATOM 0 HA GLU A 52 2.043 -3.844 -17.514 1.00 53.30 H new ATOM 0 HB2 GLU A 52 4.366 -2.988 -17.199 1.00 14.11 H new ATOM 0 HB3 GLU A 52 4.295 -4.725 -17.420 1.00 14.11 H new ATOM 0 HG2 GLU A 52 5.452 -4.667 -19.375 1.00 21.24 H new ATOM 0 HG3 GLU A 52 4.653 -3.211 -19.933 1.00 21.24 H new ATOM 839 N THR A 53 2.094 -2.144 -20.171 1.00 63.24 N ATOM 840 CA THR A 53 1.807 -0.855 -20.788 1.00 64.13 C ATOM 841 C THR A 53 0.436 -0.855 -21.452 1.00 40.53 C ATOM 842 O THR A 53 0.110 -1.757 -22.225 1.00 65.34 O ATOM 843 CB THR A 53 2.873 -0.485 -21.836 1.00 22.02 C ATOM 844 OG1 THR A 53 2.711 -1.294 -23.006 1.00 32.14 O ATOM 845 CG2 THR A 53 4.273 -0.673 -21.274 1.00 23.05 C ATOM 0 H THR A 53 2.026 -2.939 -20.806 1.00 63.24 H new ATOM 0 HA THR A 53 1.820 -0.113 -19.990 1.00 64.13 H new ATOM 0 HB THR A 53 2.742 0.565 -22.099 1.00 22.02 H new ATOM 0 HG1 THR A 53 2.172 -2.083 -22.786 1.00 32.14 H new ATOM 0 HG21 THR A 53 5.009 -0.405 -22.033 1.00 23.05 H new ATOM 0 HG22 THR A 53 4.403 -0.034 -20.401 1.00 23.05 H new ATOM 0 HG23 THR A 53 4.412 -1.715 -20.985 1.00 23.05 H new ATOM 853 N SER A 54 -0.366 0.160 -21.146 1.00 31.12 N ATOM 854 CA SER A 54 -1.705 0.275 -21.712 1.00 33.24 C ATOM 855 C SER A 54 -1.655 0.239 -23.237 1.00 10.23 C ATOM 856 O SER A 54 -2.619 -0.159 -23.890 1.00 61.21 O ATOM 857 CB SER A 54 -2.371 1.569 -21.243 1.00 20.32 C ATOM 858 OG SER A 54 -2.116 2.630 -22.147 1.00 25.20 O ATOM 0 H SER A 54 -0.112 0.915 -20.509 1.00 31.12 H new ATOM 0 HA SER A 54 -2.293 -0.574 -21.365 1.00 33.24 H new ATOM 0 HB2 SER A 54 -3.446 1.416 -21.151 1.00 20.32 H new ATOM 0 HB3 SER A 54 -2.001 1.834 -20.253 1.00 20.32 H new ATOM 0 HG SER A 54 -2.554 3.446 -21.826 1.00 25.20 H new ATOM 864 N GLU A 55 -0.524 0.657 -23.796 1.00 13.44 N ATOM 865 CA GLU A 55 -0.348 0.672 -25.244 1.00 42.02 C ATOM 866 C GLU A 55 -0.082 -0.733 -25.776 1.00 50.33 C ATOM 867 O GLU A 55 -0.642 -1.140 -26.793 1.00 60.32 O ATOM 868 CB GLU A 55 0.805 1.602 -25.629 1.00 34.44 C ATOM 869 CG GLU A 55 0.351 2.977 -26.088 1.00 55.32 C ATOM 870 CD GLU A 55 -0.142 2.980 -27.523 1.00 24.43 C ATOM 871 OE1 GLU A 55 -0.666 1.940 -27.972 1.00 52.43 O ATOM 872 OE2 GLU A 55 0.000 4.022 -28.196 1.00 51.11 O ATOM 0 H GLU A 55 0.284 0.990 -23.269 1.00 13.44 H new ATOM 0 HA GLU A 55 -1.270 1.042 -25.692 1.00 42.02 H new ATOM 0 HB2 GLU A 55 1.470 1.715 -24.773 1.00 34.44 H new ATOM 0 HB3 GLU A 55 1.386 1.136 -26.425 1.00 34.44 H new ATOM 0 HG2 GLU A 55 -0.446 3.330 -25.433 1.00 55.32 H new ATOM 0 HG3 GLU A 55 1.178 3.680 -25.990 1.00 55.32 H new ATOM 879 N GLY A 56 0.776 -1.471 -25.078 1.00 33.33 N ATOM 880 CA GLY A 56 1.102 -2.822 -25.495 1.00 41.10 C ATOM 881 C GLY A 56 -0.110 -3.734 -25.506 1.00 21.34 C ATOM 882 O GLY A 56 -0.316 -4.492 -26.454 1.00 4.15 O ATOM 0 H GLY A 56 1.251 -1.157 -24.232 1.00 33.33 H new ATOM 0 HA2 GLY A 56 1.542 -2.795 -26.492 1.00 41.10 H new ATOM 0 HA3 GLY A 56 1.857 -3.234 -24.825 1.00 41.10 H new ATOM 886 N CYS A 57 -0.911 -3.662 -24.449 1.00 71.31 N ATOM 887 CA CYS A 57 -2.107 -4.489 -24.339 1.00 74.01 C ATOM 888 C CYS A 57 -3.002 -4.316 -25.563 1.00 50.51 C ATOM 889 O CYS A 57 -3.444 -5.296 -26.164 1.00 63.21 O ATOM 890 CB CYS A 57 -2.884 -4.133 -23.070 1.00 12.13 C ATOM 891 SG CYS A 57 -2.660 -5.308 -21.715 1.00 41.01 S ATOM 0 H CYS A 57 -0.754 -3.040 -23.656 1.00 71.31 H new ATOM 0 HA CYS A 57 -1.794 -5.532 -24.284 1.00 74.01 H new ATOM 0 HB2 CYS A 57 -2.575 -3.143 -22.733 1.00 12.13 H new ATOM 0 HB3 CYS A 57 -3.945 -4.071 -23.312 1.00 12.13 H new ATOM 0 HG CYS A 57 -3.795 -5.881 -21.445 1.00 41.01 H new ATOM 897 N ARG A 58 -3.266 -3.065 -25.924 1.00 30.14 N ATOM 898 CA ARG A 58 -4.110 -2.765 -27.075 1.00 25.23 C ATOM 899 C ARG A 58 -3.621 -3.503 -28.317 1.00 25.13 C ATOM 900 O ARG A 58 -4.409 -4.114 -29.038 1.00 64.31 O ATOM 901 CB ARG A 58 -4.131 -1.258 -27.338 1.00 21.32 C ATOM 902 CG ARG A 58 -5.498 -0.728 -27.736 1.00 54.01 C ATOM 903 CD ARG A 58 -5.391 0.606 -28.459 1.00 1.45 C ATOM 904 NE ARG A 58 -6.491 0.811 -29.396 1.00 34.00 N ATOM 905 CZ ARG A 58 -6.833 2.000 -29.880 1.00 42.04 C ATOM 906 NH1 ARG A 58 -6.164 3.085 -29.515 1.00 75.04 N ATOM 907 NH2 ARG A 58 -7.847 2.105 -30.729 1.00 33.40 N ATOM 0 H ARG A 58 -2.908 -2.243 -25.437 1.00 30.14 H new ATOM 0 HA ARG A 58 -5.122 -3.103 -26.850 1.00 25.23 H new ATOM 0 HB2 ARG A 58 -3.796 -0.737 -26.441 1.00 21.32 H new ATOM 0 HB3 ARG A 58 -3.417 -1.026 -28.128 1.00 21.32 H new ATOM 0 HG2 ARG A 58 -5.997 -1.453 -28.380 1.00 54.01 H new ATOM 0 HG3 ARG A 58 -6.117 -0.612 -26.847 1.00 54.01 H new ATOM 0 HD2 ARG A 58 -5.382 1.415 -27.728 1.00 1.45 H new ATOM 0 HD3 ARG A 58 -4.444 0.652 -28.997 1.00 1.45 H new ATOM 0 HE ARG A 58 -7.027 -0.004 -29.696 1.00 34.00 H new ATOM 0 HH11 ARG A 58 -5.385 3.008 -28.861 1.00 75.04 H new ATOM 0 HH12 ARG A 58 -6.428 3.997 -29.888 1.00 75.04 H new ATOM 0 HH21 ARG A 58 -8.365 1.272 -31.011 1.00 33.40 H new ATOM 0 HH22 ARG A 58 -8.109 3.018 -31.100 1.00 33.40 H new ATOM 921 N GLN A 59 -2.315 -3.441 -28.559 1.00 12.41 N ATOM 922 CA GLN A 59 -1.721 -4.103 -29.714 1.00 32.14 C ATOM 923 C GLN A 59 -1.973 -5.606 -29.670 1.00 44.20 C ATOM 924 O GLN A 59 -2.156 -6.246 -30.706 1.00 32.32 O ATOM 925 CB GLN A 59 -0.217 -3.827 -29.770 1.00 54.15 C ATOM 926 CG GLN A 59 0.283 -3.456 -31.157 1.00 0.40 C ATOM 927 CD GLN A 59 1.426 -2.461 -31.118 1.00 30.20 C ATOM 928 OE1 GLN A 59 1.276 -1.310 -31.528 1.00 23.14 O ATOM 929 NE2 GLN A 59 2.577 -2.901 -30.623 1.00 43.42 N ATOM 0 H GLN A 59 -1.649 -2.940 -27.971 1.00 12.41 H new ATOM 0 HA GLN A 59 -2.190 -3.701 -30.612 1.00 32.14 H new ATOM 0 HB2 GLN A 59 0.021 -3.019 -29.079 1.00 54.15 H new ATOM 0 HB3 GLN A 59 0.319 -4.711 -29.424 1.00 54.15 H new ATOM 0 HG2 GLN A 59 0.609 -4.358 -31.675 1.00 0.40 H new ATOM 0 HG3 GLN A 59 -0.540 -3.036 -31.735 1.00 0.40 H new ATOM 0 HE21 GLN A 59 2.656 -3.863 -30.294 1.00 43.42 H new ATOM 0 HE22 GLN A 59 3.382 -2.277 -30.571 1.00 43.42 H new ATOM 938 N ILE A 60 -1.979 -6.164 -28.464 1.00 12.32 N ATOM 939 CA ILE A 60 -2.210 -7.592 -28.285 1.00 35.35 C ATOM 940 C ILE A 60 -3.679 -7.943 -28.494 1.00 45.33 C ATOM 941 O ILE A 60 -4.006 -8.946 -29.129 1.00 22.50 O ATOM 942 CB ILE A 60 -1.775 -8.062 -26.884 1.00 64.40 C ATOM 943 CG1 ILE A 60 -0.299 -7.732 -26.647 1.00 73.22 C ATOM 944 CG2 ILE A 60 -2.021 -9.555 -26.725 1.00 61.31 C ATOM 945 CD1 ILE A 60 0.112 -7.814 -25.194 1.00 52.24 C ATOM 0 H ILE A 60 -1.827 -5.649 -27.597 1.00 12.32 H new ATOM 0 HA ILE A 60 -1.607 -8.105 -29.034 1.00 35.35 H new ATOM 0 HB ILE A 60 -2.371 -7.534 -26.139 1.00 64.40 H new ATOM 0 HG12 ILE A 60 0.316 -8.418 -27.230 1.00 73.22 H new ATOM 0 HG13 ILE A 60 -0.095 -6.727 -27.018 1.00 73.22 H new ATOM 0 HG21 ILE A 60 -1.708 -9.871 -25.730 1.00 61.31 H new ATOM 0 HG22 ILE A 60 -3.083 -9.765 -26.856 1.00 61.31 H new ATOM 0 HG23 ILE A 60 -1.448 -10.100 -27.475 1.00 61.31 H new ATOM 0 HD11 ILE A 60 1.170 -7.568 -25.101 1.00 52.24 H new ATOM 0 HD12 ILE A 60 -0.478 -7.108 -24.609 1.00 52.24 H new ATOM 0 HD13 ILE A 60 -0.059 -8.825 -24.824 1.00 52.24 H new ATOM 957 N LEU A 61 -4.562 -7.109 -27.954 1.00 32.35 N ATOM 958 CA LEU A 61 -5.999 -7.329 -28.081 1.00 34.13 C ATOM 959 C LEU A 61 -6.450 -7.158 -29.529 1.00 64.42 C ATOM 960 O LEU A 61 -7.452 -7.732 -29.950 1.00 52.40 O ATOM 961 CB LEU A 61 -6.765 -6.361 -27.178 1.00 31.11 C ATOM 962 CG LEU A 61 -6.491 -6.484 -25.679 1.00 64.42 C ATOM 963 CD1 LEU A 61 -6.874 -5.199 -24.960 1.00 14.14 C ATOM 964 CD2 LEU A 61 -7.246 -7.669 -25.094 1.00 22.42 C ATOM 0 H LEU A 61 -4.308 -6.275 -27.424 1.00 32.35 H new ATOM 0 HA LEU A 61 -6.214 -8.352 -27.771 1.00 34.13 H new ATOM 0 HB2 LEU A 61 -6.530 -5.343 -27.488 1.00 31.11 H new ATOM 0 HB3 LEU A 61 -7.832 -6.507 -27.345 1.00 31.11 H new ATOM 0 HG LEU A 61 -5.424 -6.653 -25.537 1.00 64.42 H new ATOM 0 HD11 LEU A 61 -6.672 -5.305 -23.894 1.00 14.14 H new ATOM 0 HD12 LEU A 61 -6.289 -4.370 -25.360 1.00 14.14 H new ATOM 0 HD13 LEU A 61 -7.935 -5.000 -25.110 1.00 14.14 H new ATOM 0 HD21 LEU A 61 -7.039 -7.741 -24.026 1.00 22.42 H new ATOM 0 HD22 LEU A 61 -8.316 -7.530 -25.248 1.00 22.42 H new ATOM 0 HD23 LEU A 61 -6.924 -8.585 -25.589 1.00 22.42 H new ATOM 976 N GLY A 62 -5.699 -6.363 -30.286 1.00 54.02 N ATOM 977 CA GLY A 62 -6.037 -6.131 -31.680 1.00 43.54 C ATOM 978 C GLY A 62 -5.883 -7.378 -32.527 1.00 75.43 C ATOM 979 O GLY A 62 -6.673 -7.613 -33.443 1.00 1.44 O ATOM 0 H GLY A 62 -4.864 -5.876 -29.960 1.00 54.02 H new ATOM 0 HA2 GLY A 62 -7.065 -5.774 -31.747 1.00 43.54 H new ATOM 0 HA3 GLY A 62 -5.399 -5.343 -32.079 1.00 43.54 H new ATOM 983 N GLN A 63 -4.865 -8.176 -32.225 1.00 34.11 N ATOM 984 CA GLN A 63 -4.610 -9.404 -32.969 1.00 32.51 C ATOM 985 C GLN A 63 -5.530 -10.525 -32.501 1.00 53.42 C ATOM 986 O GLN A 63 -5.967 -11.358 -33.297 1.00 22.20 O ATOM 987 CB GLN A 63 -3.149 -9.827 -32.811 1.00 31.12 C ATOM 988 CG GLN A 63 -2.245 -9.325 -33.925 1.00 62.51 C ATOM 989 CD GLN A 63 -0.823 -9.834 -33.799 1.00 14.50 C ATOM 990 OE1 GLN A 63 -0.192 -9.694 -32.751 1.00 10.21 O ATOM 991 NE2 GLN A 63 -0.311 -10.433 -34.868 1.00 63.40 N ATOM 0 H GLN A 63 -4.203 -7.995 -31.470 1.00 34.11 H new ATOM 0 HA GLN A 63 -4.812 -9.209 -34.022 1.00 32.51 H new ATOM 0 HB2 GLN A 63 -2.774 -9.458 -31.856 1.00 31.12 H new ATOM 0 HB3 GLN A 63 -3.097 -10.915 -32.775 1.00 31.12 H new ATOM 0 HG2 GLN A 63 -2.654 -9.635 -34.887 1.00 62.51 H new ATOM 0 HG3 GLN A 63 -2.238 -8.235 -33.918 1.00 62.51 H new ATOM 0 HE21 GLN A 63 -0.870 -10.527 -35.716 1.00 63.40 H new ATOM 0 HE22 GLN A 63 0.641 -10.799 -34.841 1.00 63.40 H new ATOM 1000 N LEU A 64 -5.823 -10.542 -31.206 1.00 2.52 N ATOM 1001 CA LEU A 64 -6.691 -11.562 -30.630 1.00 14.30 C ATOM 1002 C LEU A 64 -8.156 -11.267 -30.937 1.00 53.43 C ATOM 1003 O LEU A 64 -8.986 -12.175 -30.983 1.00 42.42 O ATOM 1004 CB LEU A 64 -6.483 -11.645 -29.117 1.00 63.32 C ATOM 1005 CG LEU A 64 -5.127 -12.180 -28.655 1.00 3.24 C ATOM 1006 CD1 LEU A 64 -4.991 -12.057 -27.145 1.00 22.41 C ATOM 1007 CD2 LEU A 64 -4.948 -13.628 -29.091 1.00 61.35 C ATOM 0 H LEU A 64 -5.472 -9.860 -30.534 1.00 2.52 H new ATOM 0 HA LEU A 64 -6.429 -12.520 -31.079 1.00 14.30 H new ATOM 0 HB2 LEU A 64 -6.621 -10.649 -28.696 1.00 63.32 H new ATOM 0 HB3 LEU A 64 -7.264 -12.279 -28.697 1.00 63.32 H new ATOM 0 HG LEU A 64 -4.344 -11.581 -29.120 1.00 3.24 H new ATOM 0 HD11 LEU A 64 -4.020 -12.443 -26.835 1.00 22.41 H new ATOM 0 HD12 LEU A 64 -5.075 -11.009 -26.856 1.00 22.41 H new ATOM 0 HD13 LEU A 64 -5.781 -12.631 -26.661 1.00 22.41 H new ATOM 0 HD21 LEU A 64 -3.978 -13.992 -28.754 1.00 61.35 H new ATOM 0 HD22 LEU A 64 -5.737 -14.240 -28.654 1.00 61.35 H new ATOM 0 HD23 LEU A 64 -5.001 -13.690 -30.178 1.00 61.35 H new ATOM 1019 N GLN A 65 -8.465 -9.992 -31.149 1.00 2.21 N ATOM 1020 CA GLN A 65 -9.830 -9.577 -31.454 1.00 44.31 C ATOM 1021 C GLN A 65 -10.400 -10.390 -32.611 1.00 21.35 C ATOM 1022 O GLN A 65 -11.391 -11.106 -32.470 1.00 14.14 O ATOM 1023 CB GLN A 65 -9.868 -8.086 -31.793 1.00 52.24 C ATOM 1024 CG GLN A 65 -10.644 -7.252 -30.787 1.00 13.41 C ATOM 1025 CD GLN A 65 -11.385 -6.098 -31.432 1.00 22.44 C ATOM 1026 OE1 GLN A 65 -10.964 -5.575 -32.464 1.00 12.04 O ATOM 1027 NE2 GLN A 65 -12.494 -5.693 -30.826 1.00 40.12 N ATOM 0 H GLN A 65 -7.789 -9.229 -31.115 1.00 2.21 H new ATOM 0 HA GLN A 65 -10.444 -9.757 -30.572 1.00 44.31 H new ATOM 0 HB2 GLN A 65 -8.847 -7.710 -31.853 1.00 52.24 H new ATOM 0 HB3 GLN A 65 -10.314 -7.958 -32.779 1.00 52.24 H new ATOM 0 HG2 GLN A 65 -11.357 -7.890 -30.265 1.00 13.41 H new ATOM 0 HG3 GLN A 65 -9.956 -6.863 -30.036 1.00 13.41 H new ATOM 0 HE21 GLN A 65 -12.807 -6.155 -29.972 1.00 40.12 H new ATOM 0 HE22 GLN A 65 -13.034 -4.919 -31.214 1.00 40.12 H new ATOM 1036 N PRO A 66 -9.760 -10.277 -33.785 1.00 32.11 N ATOM 1037 CA PRO A 66 -10.187 -10.994 -34.991 1.00 23.23 C ATOM 1038 C PRO A 66 -9.940 -12.495 -34.889 1.00 73.13 C ATOM 1039 O PRO A 66 -10.503 -13.279 -35.654 1.00 60.31 O ATOM 1040 CB PRO A 66 -9.318 -10.382 -36.092 1.00 33.13 C ATOM 1041 CG PRO A 66 -8.106 -9.882 -35.386 1.00 43.23 C ATOM 1042 CD PRO A 66 -8.573 -9.441 -34.026 1.00 22.54 C ATOM 0 HA PRO A 66 -11.258 -10.894 -35.169 1.00 23.23 H new ATOM 0 HB2 PRO A 66 -9.058 -11.123 -36.848 1.00 33.13 H new ATOM 0 HB3 PRO A 66 -9.839 -9.573 -36.604 1.00 33.13 H new ATOM 0 HG2 PRO A 66 -7.351 -10.664 -35.305 1.00 43.23 H new ATOM 0 HG3 PRO A 66 -7.651 -9.054 -35.930 1.00 43.23 H new ATOM 0 HD2 PRO A 66 -7.808 -9.602 -33.267 1.00 22.54 H new ATOM 0 HD3 PRO A 66 -8.819 -8.379 -34.011 1.00 22.54 H new ATOM 1050 N SER A 67 -9.097 -12.889 -33.940 1.00 22.24 N ATOM 1051 CA SER A 67 -8.774 -14.297 -33.741 1.00 33.45 C ATOM 1052 C SER A 67 -9.861 -14.995 -32.930 1.00 44.10 C ATOM 1053 O SER A 67 -10.080 -16.199 -33.068 1.00 71.43 O ATOM 1054 CB SER A 67 -7.425 -14.438 -33.035 1.00 63.01 C ATOM 1055 OG SER A 67 -6.378 -13.891 -33.820 1.00 13.51 O ATOM 0 H SER A 67 -8.625 -12.253 -33.297 1.00 22.24 H new ATOM 0 HA SER A 67 -8.715 -14.772 -34.720 1.00 33.45 H new ATOM 0 HB2 SER A 67 -7.462 -13.933 -32.070 1.00 63.01 H new ATOM 0 HB3 SER A 67 -7.223 -15.491 -32.837 1.00 63.01 H new ATOM 0 HG SER A 67 -6.228 -12.958 -33.560 1.00 13.51 H new ATOM 1061 N LEU A 68 -10.540 -14.230 -32.082 1.00 45.33 N ATOM 1062 CA LEU A 68 -11.605 -14.773 -31.245 1.00 32.31 C ATOM 1063 C LEU A 68 -12.650 -15.492 -32.094 1.00 4.42 C ATOM 1064 O LEU A 68 -13.318 -16.411 -31.623 1.00 0.33 O ATOM 1065 CB LEU A 68 -12.268 -13.654 -30.440 1.00 34.43 C ATOM 1066 CG LEU A 68 -11.448 -13.084 -29.282 1.00 54.44 C ATOM 1067 CD1 LEU A 68 -11.645 -11.580 -29.178 1.00 13.24 C ATOM 1068 CD2 LEU A 68 -11.828 -13.765 -27.975 1.00 51.44 C ATOM 0 H LEU A 68 -10.372 -13.232 -31.956 1.00 45.33 H new ATOM 0 HA LEU A 68 -11.163 -15.494 -30.557 1.00 32.31 H new ATOM 0 HB2 LEU A 68 -12.512 -12.839 -31.121 1.00 34.43 H new ATOM 0 HB3 LEU A 68 -13.210 -14.030 -30.041 1.00 34.43 H new ATOM 0 HG LEU A 68 -10.394 -13.279 -29.478 1.00 54.44 H new ATOM 0 HD11 LEU A 68 -11.054 -11.192 -28.348 1.00 13.24 H new ATOM 0 HD12 LEU A 68 -11.324 -11.106 -30.105 1.00 13.24 H new ATOM 0 HD13 LEU A 68 -12.699 -11.362 -29.005 1.00 13.24 H new ATOM 0 HD21 LEU A 68 -11.235 -13.347 -27.161 1.00 51.44 H new ATOM 0 HD22 LEU A 68 -12.887 -13.601 -27.774 1.00 51.44 H new ATOM 0 HD23 LEU A 68 -11.635 -14.835 -28.053 1.00 51.44 H new ATOM 1080 N GLN A 69 -12.781 -15.067 -33.346 1.00 55.12 N ATOM 1081 CA GLN A 69 -13.743 -15.673 -34.260 1.00 4.20 C ATOM 1082 C GLN A 69 -13.550 -17.184 -34.330 1.00 12.32 C ATOM 1083 O GLN A 69 -14.505 -17.950 -34.191 1.00 21.51 O ATOM 1084 CB GLN A 69 -13.605 -15.064 -35.656 1.00 2.10 C ATOM 1085 CG GLN A 69 -14.614 -15.603 -36.658 1.00 63.50 C ATOM 1086 CD GLN A 69 -14.737 -14.729 -37.890 1.00 65.03 C ATOM 1087 OE1 GLN A 69 -14.558 -13.512 -37.823 1.00 71.42 O ATOM 1088 NE2 GLN A 69 -15.044 -15.345 -39.025 1.00 54.14 N ATOM 0 H GLN A 69 -12.234 -14.307 -33.751 1.00 55.12 H new ATOM 0 HA GLN A 69 -14.744 -15.470 -33.880 1.00 4.20 H new ATOM 0 HB2 GLN A 69 -13.719 -13.982 -35.584 1.00 2.10 H new ATOM 0 HB3 GLN A 69 -12.598 -15.254 -36.028 1.00 2.10 H new ATOM 0 HG2 GLN A 69 -14.320 -16.609 -36.959 1.00 63.50 H new ATOM 0 HG3 GLN A 69 -15.589 -15.686 -36.177 1.00 63.50 H new ATOM 0 HE21 GLN A 69 -15.184 -16.355 -39.035 1.00 54.14 H new ATOM 0 HE22 GLN A 69 -15.140 -14.808 -39.887 1.00 54.14 H new ATOM 1097 N THR A 70 -12.309 -17.608 -34.547 1.00 33.51 N ATOM 1098 CA THR A 70 -11.991 -19.028 -34.638 1.00 54.04 C ATOM 1099 C THR A 70 -10.870 -19.403 -33.676 1.00 45.15 C ATOM 1100 O THR A 70 -10.007 -20.217 -34.000 1.00 0.32 O ATOM 1101 CB THR A 70 -11.578 -19.421 -36.069 1.00 71.02 C ATOM 1102 OG1 THR A 70 -10.617 -18.488 -36.574 1.00 25.14 O ATOM 1103 CG2 THR A 70 -12.787 -19.460 -36.990 1.00 64.53 C ATOM 0 H THR A 70 -11.507 -16.988 -34.663 1.00 33.51 H new ATOM 0 HA THR A 70 -12.896 -19.572 -34.367 1.00 54.04 H new ATOM 0 HB THR A 70 -11.135 -20.416 -36.036 1.00 71.02 H new ATOM 0 HG1 THR A 70 -10.358 -18.745 -37.483 1.00 25.14 H new ATOM 0 HG21 THR A 70 -12.470 -19.740 -37.995 1.00 64.53 H new ATOM 0 HG22 THR A 70 -13.504 -20.192 -36.618 1.00 64.53 H new ATOM 0 HG23 THR A 70 -13.255 -18.476 -37.018 1.00 64.53 H new ATOM 1111 N GLY A 71 -10.888 -18.802 -32.490 1.00 4.41 N ATOM 1112 CA GLY A 71 -9.867 -19.086 -31.499 1.00 51.42 C ATOM 1113 C GLY A 71 -10.296 -20.157 -30.515 1.00 40.30 C ATOM 1114 O GLY A 71 -11.489 -20.357 -30.286 1.00 14.52 O ATOM 0 H GLY A 71 -11.592 -18.124 -32.198 1.00 4.41 H new ATOM 0 HA2 GLY A 71 -8.954 -19.404 -32.003 1.00 51.42 H new ATOM 0 HA3 GLY A 71 -9.628 -18.172 -30.955 1.00 51.42 H new ATOM 1118 N SER A 72 -9.321 -20.850 -29.935 1.00 54.54 N ATOM 1119 CA SER A 72 -9.605 -21.910 -28.975 1.00 0.31 C ATOM 1120 C SER A 72 -9.556 -21.378 -27.546 1.00 24.20 C ATOM 1121 O SER A 72 -9.456 -20.171 -27.326 1.00 53.42 O ATOM 1122 CB SER A 72 -8.604 -23.056 -29.138 1.00 31.01 C ATOM 1123 OG SER A 72 -7.361 -22.738 -28.534 1.00 52.43 O ATOM 0 H SER A 72 -8.328 -20.696 -30.113 1.00 54.54 H new ATOM 0 HA SER A 72 -10.610 -22.283 -29.171 1.00 0.31 H new ATOM 0 HB2 SER A 72 -9.009 -23.963 -28.689 1.00 31.01 H new ATOM 0 HB3 SER A 72 -8.454 -23.264 -30.197 1.00 31.01 H new ATOM 0 HG SER A 72 -6.740 -23.487 -28.650 1.00 52.43 H new ATOM 1129 N GLU A 73 -9.627 -22.287 -26.579 1.00 61.10 N ATOM 1130 CA GLU A 73 -9.593 -21.909 -25.171 1.00 3.03 C ATOM 1131 C GLU A 73 -8.390 -21.016 -24.878 1.00 43.24 C ATOM 1132 O GLU A 73 -8.499 -20.032 -24.146 1.00 54.44 O ATOM 1133 CB GLU A 73 -9.543 -23.157 -24.286 1.00 65.34 C ATOM 1134 CG GLU A 73 -10.726 -24.090 -24.482 1.00 22.31 C ATOM 1135 CD GLU A 73 -12.014 -23.524 -23.917 1.00 33.52 C ATOM 1136 OE1 GLU A 73 -11.958 -22.860 -22.861 1.00 32.54 O ATOM 1137 OE2 GLU A 73 -13.079 -23.746 -24.532 1.00 42.41 O ATOM 0 H GLU A 73 -9.708 -23.290 -26.745 1.00 61.10 H new ATOM 0 HA GLU A 73 -10.502 -21.351 -24.948 1.00 3.03 H new ATOM 0 HB2 GLU A 73 -8.622 -23.703 -24.494 1.00 65.34 H new ATOM 0 HB3 GLU A 73 -9.503 -22.850 -23.241 1.00 65.34 H new ATOM 0 HG2 GLU A 73 -10.856 -24.287 -25.546 1.00 22.31 H new ATOM 0 HG3 GLU A 73 -10.513 -25.046 -24.004 1.00 22.31 H new ATOM 1144 N GLU A 74 -7.245 -21.366 -25.454 1.00 40.14 N ATOM 1145 CA GLU A 74 -6.022 -20.597 -25.253 1.00 52.01 C ATOM 1146 C GLU A 74 -6.240 -19.127 -25.605 1.00 11.24 C ATOM 1147 O GLU A 74 -5.736 -18.233 -24.925 1.00 45.54 O ATOM 1148 CB GLU A 74 -4.886 -21.172 -26.100 1.00 1.55 C ATOM 1149 CG GLU A 74 -4.233 -22.400 -25.488 1.00 15.40 C ATOM 1150 CD GLU A 74 -3.536 -22.097 -24.175 1.00 11.22 C ATOM 1151 OE1 GLU A 74 -4.221 -22.071 -23.132 1.00 53.23 O ATOM 1152 OE2 GLU A 74 -2.305 -21.887 -24.193 1.00 40.24 O ATOM 0 H GLU A 74 -7.138 -22.177 -26.064 1.00 40.14 H new ATOM 0 HA GLU A 74 -5.750 -20.665 -24.200 1.00 52.01 H new ATOM 0 HB2 GLU A 74 -5.273 -21.430 -27.086 1.00 1.55 H new ATOM 0 HB3 GLU A 74 -4.128 -20.403 -26.247 1.00 1.55 H new ATOM 0 HG2 GLU A 74 -4.991 -23.166 -25.324 1.00 15.40 H new ATOM 0 HG3 GLU A 74 -3.510 -22.812 -26.192 1.00 15.40 H new ATOM 1159 N LEU A 75 -6.994 -18.886 -26.672 1.00 2.45 N ATOM 1160 CA LEU A 75 -7.278 -17.527 -27.116 1.00 53.11 C ATOM 1161 C LEU A 75 -8.124 -16.784 -26.087 1.00 64.20 C ATOM 1162 O LEU A 75 -7.803 -15.660 -25.700 1.00 32.24 O ATOM 1163 CB LEU A 75 -8.000 -17.550 -28.464 1.00 74.31 C ATOM 1164 CG LEU A 75 -7.446 -16.612 -29.539 1.00 52.32 C ATOM 1165 CD1 LEU A 75 -6.862 -17.410 -30.694 1.00 2.44 C ATOM 1166 CD2 LEU A 75 -8.534 -15.670 -30.036 1.00 43.21 C ATOM 0 H LEU A 75 -7.419 -19.614 -27.245 1.00 2.45 H new ATOM 0 HA LEU A 75 -6.329 -17.002 -27.228 1.00 53.11 H new ATOM 0 HB2 LEU A 75 -7.973 -18.569 -28.850 1.00 74.31 H new ATOM 0 HB3 LEU A 75 -9.048 -17.300 -28.297 1.00 74.31 H new ATOM 0 HG LEU A 75 -6.649 -16.014 -29.097 1.00 52.32 H new ATOM 0 HD11 LEU A 75 -6.473 -16.726 -31.449 1.00 2.44 H new ATOM 0 HD12 LEU A 75 -6.054 -18.043 -30.327 1.00 2.44 H new ATOM 0 HD13 LEU A 75 -7.640 -18.033 -31.136 1.00 2.44 H new ATOM 0 HD21 LEU A 75 -8.123 -15.010 -30.800 1.00 43.21 H new ATOM 0 HD22 LEU A 75 -9.352 -16.251 -30.461 1.00 43.21 H new ATOM 0 HD23 LEU A 75 -8.907 -15.073 -29.203 1.00 43.21 H new ATOM 1178 N ARG A 76 -9.205 -17.420 -25.646 1.00 22.22 N ATOM 1179 CA ARG A 76 -10.096 -16.819 -24.661 1.00 73.00 C ATOM 1180 C ARG A 76 -9.341 -16.483 -23.378 1.00 1.32 C ATOM 1181 O ARG A 76 -9.540 -15.422 -22.789 1.00 42.54 O ATOM 1182 CB ARG A 76 -11.258 -17.764 -24.350 1.00 20.10 C ATOM 1183 CG ARG A 76 -12.584 -17.052 -24.146 1.00 42.24 C ATOM 1184 CD ARG A 76 -12.886 -16.848 -22.669 1.00 32.23 C ATOM 1185 NE ARG A 76 -13.164 -18.110 -21.989 1.00 61.23 N ATOM 1186 CZ ARG A 76 -13.719 -18.188 -20.784 1.00 11.42 C ATOM 1187 NH1 ARG A 76 -14.054 -17.083 -20.131 1.00 13.05 N ATOM 1188 NH2 ARG A 76 -13.940 -19.374 -20.230 1.00 72.54 N ATOM 0 H ARG A 76 -9.485 -18.351 -25.955 1.00 22.22 H new ATOM 0 HA ARG A 76 -10.491 -15.894 -25.082 1.00 73.00 H new ATOM 0 HB2 ARG A 76 -11.361 -18.480 -25.166 1.00 20.10 H new ATOM 0 HB3 ARG A 76 -11.020 -18.335 -23.453 1.00 20.10 H new ATOM 0 HG2 ARG A 76 -12.561 -16.086 -24.650 1.00 42.24 H new ATOM 0 HG3 ARG A 76 -13.384 -17.632 -24.605 1.00 42.24 H new ATOM 0 HD2 ARG A 76 -12.039 -16.357 -22.190 1.00 32.23 H new ATOM 0 HD3 ARG A 76 -13.742 -16.182 -22.562 1.00 32.23 H new ATOM 0 HE ARG A 76 -12.919 -18.978 -22.465 1.00 61.23 H new ATOM 0 HH11 ARG A 76 -13.886 -16.170 -20.554 1.00 13.05 H new ATOM 0 HH12 ARG A 76 -14.480 -17.146 -19.206 1.00 13.05 H new ATOM 0 HH21 ARG A 76 -13.684 -20.226 -20.729 1.00 72.54 H new ATOM 0 HH22 ARG A 76 -14.366 -19.433 -19.305 1.00 72.54 H new ATOM 1202 N SER A 77 -8.474 -17.397 -22.953 1.00 41.35 N ATOM 1203 CA SER A 77 -7.693 -17.200 -21.737 1.00 24.25 C ATOM 1204 C SER A 77 -6.892 -15.903 -21.809 1.00 55.22 C ATOM 1205 O SER A 77 -6.986 -15.051 -20.925 1.00 42.43 O ATOM 1206 CB SER A 77 -6.749 -18.384 -21.515 1.00 24.45 C ATOM 1207 OG SER A 77 -7.445 -19.500 -20.991 1.00 44.41 O ATOM 0 H SER A 77 -8.295 -18.280 -23.432 1.00 41.35 H new ATOM 0 HA SER A 77 -8.385 -17.133 -20.897 1.00 24.25 H new ATOM 0 HB2 SER A 77 -6.275 -18.657 -22.458 1.00 24.45 H new ATOM 0 HB3 SER A 77 -5.952 -18.094 -20.830 1.00 24.45 H new ATOM 0 HG SER A 77 -6.820 -20.243 -20.860 1.00 44.41 H new ATOM 1213 N LEU A 78 -6.105 -15.760 -22.870 1.00 43.32 N ATOM 1214 CA LEU A 78 -5.287 -14.567 -23.059 1.00 22.35 C ATOM 1215 C LEU A 78 -6.152 -13.311 -23.075 1.00 3.15 C ATOM 1216 O LEU A 78 -5.948 -12.395 -22.277 1.00 15.23 O ATOM 1217 CB LEU A 78 -4.495 -14.671 -24.364 1.00 44.11 C ATOM 1218 CG LEU A 78 -3.013 -15.022 -24.223 1.00 21.00 C ATOM 1219 CD1 LEU A 78 -2.303 -14.000 -23.349 1.00 60.22 C ATOM 1220 CD2 LEU A 78 -2.849 -16.422 -23.650 1.00 32.05 C ATOM 0 H LEU A 78 -6.016 -16.455 -23.612 1.00 43.32 H new ATOM 0 HA LEU A 78 -4.592 -14.496 -22.223 1.00 22.35 H new ATOM 0 HB2 LEU A 78 -4.968 -15.424 -24.994 1.00 44.11 H new ATOM 0 HB3 LEU A 78 -4.574 -13.720 -24.891 1.00 44.11 H new ATOM 0 HG LEU A 78 -2.558 -15.001 -25.213 1.00 21.00 H new ATOM 0 HD11 LEU A 78 -1.250 -14.266 -23.260 1.00 60.22 H new ATOM 0 HD12 LEU A 78 -2.391 -13.012 -23.800 1.00 60.22 H new ATOM 0 HD13 LEU A 78 -2.759 -13.988 -22.359 1.00 60.22 H new ATOM 0 HD21 LEU A 78 -1.788 -16.655 -23.557 1.00 32.05 H new ATOM 0 HD22 LEU A 78 -3.319 -16.470 -22.668 1.00 32.05 H new ATOM 0 HD23 LEU A 78 -3.322 -17.145 -24.315 1.00 32.05 H new ATOM 1232 N TYR A 79 -7.117 -13.275 -23.985 1.00 71.23 N ATOM 1233 CA TYR A 79 -8.014 -12.132 -24.105 1.00 43.14 C ATOM 1234 C TYR A 79 -8.639 -11.786 -22.757 1.00 54.04 C ATOM 1235 O TYR A 79 -8.953 -10.629 -22.483 1.00 32.41 O ATOM 1236 CB TYR A 79 -9.111 -12.421 -25.130 1.00 53.21 C ATOM 1237 CG TYR A 79 -9.577 -11.194 -25.881 1.00 13.51 C ATOM 1238 CD1 TYR A 79 -8.720 -10.513 -26.736 1.00 54.13 C ATOM 1239 CD2 TYR A 79 -10.874 -10.718 -25.736 1.00 24.30 C ATOM 1240 CE1 TYR A 79 -9.141 -9.392 -27.424 1.00 72.31 C ATOM 1241 CE2 TYR A 79 -11.304 -9.598 -26.421 1.00 52.13 C ATOM 1242 CZ TYR A 79 -10.434 -8.938 -27.265 1.00 42.40 C ATOM 1243 OH TYR A 79 -10.858 -7.822 -27.948 1.00 54.10 O ATOM 0 H TYR A 79 -7.299 -14.025 -24.652 1.00 71.23 H new ATOM 0 HA TYR A 79 -7.428 -11.278 -24.443 1.00 43.14 H new ATOM 0 HB2 TYR A 79 -8.743 -13.157 -25.845 1.00 53.21 H new ATOM 0 HB3 TYR A 79 -9.963 -12.870 -24.620 1.00 53.21 H new ATOM 0 HD1 TYR A 79 -7.708 -10.866 -26.865 1.00 54.13 H new ATOM 0 HD2 TYR A 79 -11.558 -11.232 -25.077 1.00 24.30 H new ATOM 0 HE1 TYR A 79 -8.461 -8.873 -28.083 1.00 72.31 H new ATOM 0 HE2 TYR A 79 -12.316 -9.241 -26.297 1.00 52.13 H new ATOM 0 HH TYR A 79 -11.794 -7.638 -27.724 1.00 54.10 H new ATOM 1253 N ASN A 80 -8.816 -12.801 -21.917 1.00 52.01 N ATOM 1254 CA ASN A 80 -9.405 -12.608 -20.596 1.00 23.31 C ATOM 1255 C ASN A 80 -8.474 -11.794 -19.701 1.00 53.52 C ATOM 1256 O ASN A 80 -8.873 -10.780 -19.129 1.00 53.12 O ATOM 1257 CB ASN A 80 -9.705 -13.959 -19.946 1.00 1.12 C ATOM 1258 CG ASN A 80 -11.194 -14.223 -19.822 1.00 63.51 C ATOM 1259 OD1 ASN A 80 -11.979 -13.824 -20.683 1.00 10.45 O ATOM 1260 ND2 ASN A 80 -11.588 -14.896 -18.748 1.00 11.43 N ATOM 0 H ASN A 80 -8.560 -13.766 -22.127 1.00 52.01 H new ATOM 0 HA ASN A 80 -10.338 -12.057 -20.717 1.00 23.31 H new ATOM 0 HB2 ASN A 80 -9.246 -14.753 -20.535 1.00 1.12 H new ATOM 0 HB3 ASN A 80 -9.249 -13.992 -18.956 1.00 1.12 H new ATOM 0 HD21 ASN A 80 -12.577 -15.102 -18.610 1.00 11.43 H new ATOM 0 HD22 ASN A 80 -10.901 -15.207 -18.061 1.00 11.43 H new ATOM 1267 N THR A 81 -7.230 -12.247 -19.584 1.00 13.43 N ATOM 1268 CA THR A 81 -6.243 -11.565 -18.758 1.00 24.45 C ATOM 1269 C THR A 81 -5.857 -10.219 -19.362 1.00 24.23 C ATOM 1270 O THR A 81 -5.896 -9.190 -18.687 1.00 41.52 O ATOM 1271 CB THR A 81 -4.972 -12.417 -18.580 1.00 12.20 C ATOM 1272 OG1 THR A 81 -5.309 -13.683 -18.001 1.00 24.13 O ATOM 1273 CG2 THR A 81 -3.961 -11.703 -17.696 1.00 25.15 C ATOM 0 H THR A 81 -6.882 -13.084 -20.052 1.00 13.43 H new ATOM 0 HA THR A 81 -6.704 -11.406 -17.783 1.00 24.45 H new ATOM 0 HB THR A 81 -4.525 -12.573 -19.562 1.00 12.20 H new ATOM 0 HG1 THR A 81 -4.496 -14.220 -17.892 1.00 24.13 H new ATOM 0 HG21 THR A 81 -3.072 -12.324 -17.585 1.00 25.15 H new ATOM 0 HG22 THR A 81 -3.685 -10.753 -18.153 1.00 25.15 H new ATOM 0 HG23 THR A 81 -4.400 -11.520 -16.715 1.00 25.15 H new ATOM 1281 N ILE A 82 -5.484 -10.233 -20.638 1.00 3.35 N ATOM 1282 CA ILE A 82 -5.093 -9.014 -21.333 1.00 63.11 C ATOM 1283 C ILE A 82 -6.171 -7.942 -21.212 1.00 3.51 C ATOM 1284 O ILE A 82 -5.880 -6.747 -21.253 1.00 41.53 O ATOM 1285 CB ILE A 82 -4.815 -9.280 -22.824 1.00 62.55 C ATOM 1286 CG1 ILE A 82 -3.713 -10.329 -22.981 1.00 11.24 C ATOM 1287 CG2 ILE A 82 -4.428 -7.988 -23.530 1.00 54.15 C ATOM 1288 CD1 ILE A 82 -3.674 -10.964 -24.353 1.00 64.30 C ATOM 0 H ILE A 82 -5.445 -11.076 -21.211 1.00 3.35 H new ATOM 0 HA ILE A 82 -4.177 -8.661 -20.859 1.00 63.11 H new ATOM 0 HB ILE A 82 -5.725 -9.665 -23.284 1.00 62.55 H new ATOM 0 HG12 ILE A 82 -2.748 -9.864 -22.777 1.00 11.24 H new ATOM 0 HG13 ILE A 82 -3.855 -11.109 -22.233 1.00 11.24 H new ATOM 0 HG21 ILE A 82 -4.235 -8.193 -24.583 1.00 54.15 H new ATOM 0 HG22 ILE A 82 -5.242 -7.268 -23.444 1.00 54.15 H new ATOM 0 HG23 ILE A 82 -3.530 -7.577 -23.069 1.00 54.15 H new ATOM 0 HD11 ILE A 82 -2.869 -11.697 -24.392 1.00 64.30 H new ATOM 0 HD12 ILE A 82 -4.625 -11.458 -24.552 1.00 64.30 H new ATOM 0 HD13 ILE A 82 -3.500 -10.195 -25.105 1.00 64.30 H new ATOM 1300 N ALA A 83 -7.417 -8.379 -21.060 1.00 44.04 N ATOM 1301 CA ALA A 83 -8.538 -7.457 -20.928 1.00 33.20 C ATOM 1302 C ALA A 83 -8.575 -6.832 -19.538 1.00 3.32 C ATOM 1303 O ALA A 83 -8.379 -5.626 -19.383 1.00 43.24 O ATOM 1304 CB ALA A 83 -9.848 -8.174 -21.221 1.00 51.55 C ATOM 0 H ALA A 83 -7.675 -9.365 -21.025 1.00 44.04 H new ATOM 0 HA ALA A 83 -8.404 -6.655 -21.654 1.00 33.20 H new ATOM 0 HB1 ALA A 83 -10.677 -7.474 -21.119 1.00 51.55 H new ATOM 0 HB2 ALA A 83 -9.828 -8.567 -22.238 1.00 51.55 H new ATOM 0 HB3 ALA A 83 -9.978 -8.996 -20.517 1.00 51.55 H new ATOM 1310 N VAL A 84 -8.826 -7.659 -18.528 1.00 53.23 N ATOM 1311 CA VAL A 84 -8.888 -7.187 -17.150 1.00 10.20 C ATOM 1312 C VAL A 84 -7.644 -6.385 -16.788 1.00 64.50 C ATOM 1313 O VAL A 84 -7.721 -5.393 -16.060 1.00 24.11 O ATOM 1314 CB VAL A 84 -9.036 -8.359 -16.161 1.00 25.23 C ATOM 1315 CG1 VAL A 84 -9.206 -7.841 -14.741 1.00 13.40 C ATOM 1316 CG2 VAL A 84 -10.205 -9.247 -16.559 1.00 1.20 C ATOM 0 H VAL A 84 -8.990 -8.660 -18.638 1.00 53.23 H new ATOM 0 HA VAL A 84 -9.766 -6.545 -17.074 1.00 10.20 H new ATOM 0 HB VAL A 84 -8.127 -8.959 -16.196 1.00 25.23 H new ATOM 0 HG11 VAL A 84 -9.309 -8.683 -14.056 1.00 13.40 H new ATOM 0 HG12 VAL A 84 -8.333 -7.251 -14.462 1.00 13.40 H new ATOM 0 HG13 VAL A 84 -10.098 -7.217 -14.686 1.00 13.40 H new ATOM 0 HG21 VAL A 84 -10.295 -10.070 -15.850 1.00 1.20 H new ATOM 0 HG22 VAL A 84 -11.125 -8.662 -16.554 1.00 1.20 H new ATOM 0 HG23 VAL A 84 -10.034 -9.647 -17.559 1.00 1.20 H new ATOM 1326 N LEU A 85 -6.498 -6.817 -17.301 1.00 0.25 N ATOM 1327 CA LEU A 85 -5.234 -6.138 -17.033 1.00 14.42 C ATOM 1328 C LEU A 85 -5.206 -4.761 -17.688 1.00 52.43 C ATOM 1329 O LEU A 85 -4.758 -3.785 -17.085 1.00 21.21 O ATOM 1330 CB LEU A 85 -4.062 -6.980 -17.539 1.00 74.12 C ATOM 1331 CG LEU A 85 -2.730 -6.779 -16.818 1.00 3.31 C ATOM 1332 CD1 LEU A 85 -2.311 -8.055 -16.103 1.00 73.55 C ATOM 1333 CD2 LEU A 85 -1.653 -6.339 -17.799 1.00 72.11 C ATOM 0 H LEU A 85 -6.417 -7.635 -17.905 1.00 0.25 H new ATOM 0 HA LEU A 85 -5.141 -6.009 -15.955 1.00 14.42 H new ATOM 0 HB2 LEU A 85 -4.338 -8.032 -17.464 1.00 74.12 H new ATOM 0 HB3 LEU A 85 -3.916 -6.764 -18.597 1.00 74.12 H new ATOM 0 HG LEU A 85 -2.858 -5.994 -16.073 1.00 3.31 H new ATOM 0 HD11 LEU A 85 -1.360 -7.892 -15.595 1.00 73.55 H new ATOM 0 HD12 LEU A 85 -3.071 -8.328 -15.371 1.00 73.55 H new ATOM 0 HD13 LEU A 85 -2.201 -8.860 -16.830 1.00 73.55 H new ATOM 0 HD21 LEU A 85 -0.711 -6.201 -17.268 1.00 72.11 H new ATOM 0 HD22 LEU A 85 -1.527 -7.102 -18.568 1.00 72.11 H new ATOM 0 HD23 LEU A 85 -1.948 -5.399 -18.265 1.00 72.11 H new ATOM 1345 N TYR A 86 -5.691 -4.689 -18.923 1.00 2.01 N ATOM 1346 CA TYR A 86 -5.721 -3.431 -19.659 1.00 21.24 C ATOM 1347 C TYR A 86 -6.546 -2.385 -18.917 1.00 64.11 C ATOM 1348 O TYR A 86 -6.100 -1.253 -18.718 1.00 33.21 O ATOM 1349 CB TYR A 86 -6.296 -3.650 -21.060 1.00 23.13 C ATOM 1350 CG TYR A 86 -6.553 -2.367 -21.817 1.00 5.24 C ATOM 1351 CD1 TYR A 86 -5.541 -1.753 -22.546 1.00 12.05 C ATOM 1352 CD2 TYR A 86 -7.806 -1.767 -21.803 1.00 1.34 C ATOM 1353 CE1 TYR A 86 -5.770 -0.580 -23.239 1.00 52.41 C ATOM 1354 CE2 TYR A 86 -8.044 -0.595 -22.493 1.00 70.20 C ATOM 1355 CZ TYR A 86 -7.024 -0.005 -23.210 1.00 4.22 C ATOM 1356 OH TYR A 86 -7.257 1.163 -23.899 1.00 1.41 O ATOM 0 H TYR A 86 -6.068 -5.487 -19.435 1.00 2.01 H new ATOM 0 HA TYR A 86 -4.698 -3.066 -19.746 1.00 21.24 H new ATOM 0 HB2 TYR A 86 -5.606 -4.269 -21.634 1.00 23.13 H new ATOM 0 HB3 TYR A 86 -7.230 -4.206 -20.977 1.00 23.13 H new ATOM 0 HD1 TYR A 86 -4.559 -2.201 -22.571 1.00 12.05 H new ATOM 0 HD2 TYR A 86 -8.608 -2.225 -21.243 1.00 1.34 H new ATOM 0 HE1 TYR A 86 -4.972 -0.116 -23.800 1.00 52.41 H new ATOM 0 HE2 TYR A 86 -9.024 -0.142 -22.471 1.00 70.20 H new ATOM 0 HH TYR A 86 -8.223 1.309 -23.978 1.00 1.41 H new ATOM 1366 N CYS A 87 -7.749 -2.770 -18.508 1.00 13.53 N ATOM 1367 CA CYS A 87 -8.638 -1.866 -17.787 1.00 54.02 C ATOM 1368 C CYS A 87 -7.932 -1.260 -16.578 1.00 40.15 C ATOM 1369 O CYS A 87 -8.190 -0.115 -16.205 1.00 74.13 O ATOM 1370 CB CYS A 87 -9.898 -2.607 -17.338 1.00 32.12 C ATOM 1371 SG CYS A 87 -11.277 -2.491 -18.503 1.00 12.42 S ATOM 0 H CYS A 87 -8.132 -3.703 -18.663 1.00 13.53 H new ATOM 0 HA CYS A 87 -8.921 -1.059 -18.462 1.00 54.02 H new ATOM 0 HB2 CYS A 87 -9.653 -3.658 -17.185 1.00 32.12 H new ATOM 0 HB3 CYS A 87 -10.216 -2.210 -16.374 1.00 32.12 H new ATOM 0 HG CYS A 87 -11.213 -3.475 -19.351 1.00 12.42 H new ATOM 1377 N VAL A 88 -7.041 -2.035 -15.969 1.00 40.41 N ATOM 1378 CA VAL A 88 -6.298 -1.575 -14.802 1.00 53.42 C ATOM 1379 C VAL A 88 -5.423 -0.376 -15.145 1.00 24.35 C ATOM 1380 O VAL A 88 -5.294 0.560 -14.355 1.00 74.54 O ATOM 1381 CB VAL A 88 -5.413 -2.695 -14.223 1.00 30.34 C ATOM 1382 CG1 VAL A 88 -4.731 -2.230 -12.946 1.00 64.01 C ATOM 1383 CG2 VAL A 88 -6.236 -3.948 -13.971 1.00 54.11 C ATOM 0 H VAL A 88 -6.816 -2.985 -16.264 1.00 40.41 H new ATOM 0 HA VAL A 88 -7.034 -1.281 -14.054 1.00 53.42 H new ATOM 0 HB VAL A 88 -4.640 -2.937 -14.952 1.00 30.34 H new ATOM 0 HG11 VAL A 88 -4.110 -3.034 -12.551 1.00 64.01 H new ATOM 0 HG12 VAL A 88 -4.107 -1.363 -13.162 1.00 64.01 H new ATOM 0 HG13 VAL A 88 -5.486 -1.959 -12.208 1.00 64.01 H new ATOM 0 HG21 VAL A 88 -5.594 -4.729 -13.562 1.00 54.11 H new ATOM 0 HG22 VAL A 88 -7.032 -3.724 -13.261 1.00 54.11 H new ATOM 0 HG23 VAL A 88 -6.672 -4.291 -14.909 1.00 54.11 H new ATOM 1393 N HIS A 89 -4.820 -0.410 -16.330 1.00 61.55 N ATOM 1394 CA HIS A 89 -3.955 0.676 -16.780 1.00 74.43 C ATOM 1395 C HIS A 89 -4.783 1.856 -17.283 1.00 51.54 C ATOM 1396 O HIS A 89 -4.217 2.943 -17.377 1.00 20.54 O ATOM 1397 CB HIS A 89 -3.021 0.187 -17.887 1.00 31.53 C ATOM 1398 CG HIS A 89 -2.083 -0.894 -17.446 1.00 41.00 C ATOM 1399 ND1 HIS A 89 -1.560 -0.962 -16.172 1.00 41.55 N ATOM 1400 CD2 HIS A 89 -1.575 -1.955 -18.115 1.00 34.11 C ATOM 1401 CE1 HIS A 89 -0.771 -2.017 -16.078 1.00 2.10 C ATOM 1402 NE2 HIS A 89 -0.764 -2.637 -17.245 1.00 43.13 N ATOM 0 H HIS A 89 -4.914 -1.177 -16.995 1.00 61.55 H new ATOM 0 HA HIS A 89 -3.358 1.008 -15.931 1.00 74.43 H new ATOM 0 HB2 HIS A 89 -3.620 -0.181 -18.720 1.00 31.53 H new ATOM 0 HB3 HIS A 89 -2.440 1.031 -18.260 1.00 31.53 H new ATOM 0 HD1 HIS A 89 -1.752 -0.301 -15.420 1.00 41.55 H new ATOM 0 HD2 HIS A 89 -1.772 -2.216 -19.144 1.00 34.11 H new ATOM 0 HE1 HIS A 89 -0.225 -2.321 -15.197 1.00 2.10 H new ATOM 1411 N GLN A 90 -6.063 1.676 -17.595 1.00 32.03 N ATOM 1412 CA GLN A 90 -6.892 2.773 -18.079 1.00 3.10 C ATOM 1413 C GLN A 90 -7.724 3.367 -16.947 1.00 75.21 C ATOM 1414 O GLN A 90 -8.791 3.935 -17.180 1.00 2.04 O ATOM 1415 CB GLN A 90 -7.809 2.289 -19.203 1.00 72.13 C ATOM 1416 CG GLN A 90 -7.143 2.274 -20.569 1.00 62.41 C ATOM 1417 CD GLN A 90 -8.038 2.828 -21.661 1.00 1.23 C ATOM 1418 OE1 GLN A 90 -9.190 2.418 -21.801 1.00 72.50 O ATOM 1419 NE2 GLN A 90 -7.510 3.763 -22.442 1.00 62.44 N ATOM 0 H GLN A 90 -6.548 0.781 -17.521 1.00 32.03 H new ATOM 0 HA GLN A 90 -6.233 3.550 -18.467 1.00 3.10 H new ATOM 0 HB2 GLN A 90 -8.159 1.284 -18.968 1.00 72.13 H new ATOM 0 HB3 GLN A 90 -8.689 2.931 -19.244 1.00 72.13 H new ATOM 0 HG2 GLN A 90 -6.223 2.858 -20.527 1.00 62.41 H new ATOM 0 HG3 GLN A 90 -6.860 1.252 -20.820 1.00 62.41 H new ATOM 0 HE21 GLN A 90 -6.550 4.073 -22.289 1.00 62.44 H new ATOM 0 HE22 GLN A 90 -8.064 4.172 -23.195 1.00 62.44 H new ATOM 1428 N ARG A 91 -7.229 3.231 -15.721 1.00 2.14 N ATOM 1429 CA ARG A 91 -7.928 3.752 -14.553 1.00 64.31 C ATOM 1430 C ARG A 91 -9.342 3.187 -14.467 1.00 35.15 C ATOM 1431 O ARG A 91 -10.238 3.810 -13.897 1.00 23.41 O ATOM 1432 CB ARG A 91 -7.981 5.281 -14.605 1.00 52.21 C ATOM 1433 CG ARG A 91 -7.431 5.951 -13.357 1.00 64.14 C ATOM 1434 CD ARG A 91 -5.949 5.663 -13.176 1.00 51.24 C ATOM 1435 NE ARG A 91 -5.221 6.830 -12.685 1.00 11.43 N ATOM 1436 CZ ARG A 91 -3.895 6.915 -12.670 1.00 23.54 C ATOM 1437 NH1 ARG A 91 -3.158 5.909 -13.118 1.00 22.35 N ATOM 1438 NH2 ARG A 91 -3.305 8.011 -12.208 1.00 14.10 N ATOM 0 H ARG A 91 -6.347 2.764 -15.511 1.00 2.14 H new ATOM 0 HA ARG A 91 -7.378 3.443 -13.664 1.00 64.31 H new ATOM 0 HB2 ARG A 91 -7.417 5.627 -15.471 1.00 52.21 H new ATOM 0 HB3 ARG A 91 -9.014 5.596 -14.751 1.00 52.21 H new ATOM 0 HG2 ARG A 91 -7.588 7.028 -13.422 1.00 64.14 H new ATOM 0 HG3 ARG A 91 -7.980 5.601 -12.483 1.00 64.14 H new ATOM 0 HD2 ARG A 91 -5.823 4.836 -12.477 1.00 51.24 H new ATOM 0 HD3 ARG A 91 -5.523 5.344 -14.127 1.00 51.24 H new ATOM 0 HE ARG A 91 -5.759 7.622 -12.335 1.00 11.43 H new ATOM 0 HH11 ARG A 91 -3.608 5.067 -13.476 1.00 22.35 H new ATOM 0 HH12 ARG A 91 -2.140 5.977 -13.105 1.00 22.35 H new ATOM 0 HH21 ARG A 91 -3.870 8.788 -11.864 1.00 14.10 H new ATOM 0 HH22 ARG A 91 -2.287 8.076 -12.197 1.00 14.10 H new ATOM 1452 N ILE A 92 -9.534 2.002 -15.038 1.00 55.42 N ATOM 1453 CA ILE A 92 -10.839 1.351 -15.025 1.00 71.42 C ATOM 1454 C ILE A 92 -10.935 0.333 -13.894 1.00 52.01 C ATOM 1455 O ILE A 92 -10.075 -0.536 -13.754 1.00 55.43 O ATOM 1456 CB ILE A 92 -11.129 0.645 -16.363 1.00 43.23 C ATOM 1457 CG1 ILE A 92 -10.847 1.587 -17.535 1.00 64.43 C ATOM 1458 CG2 ILE A 92 -12.570 0.158 -16.404 1.00 2.24 C ATOM 1459 CD1 ILE A 92 -11.092 0.959 -18.888 1.00 31.41 C ATOM 0 H ILE A 92 -8.803 1.474 -15.515 1.00 55.42 H new ATOM 0 HA ILE A 92 -11.581 2.134 -14.869 1.00 71.42 H new ATOM 0 HB ILE A 92 -10.471 -0.219 -16.450 1.00 43.23 H new ATOM 0 HG12 ILE A 92 -11.473 2.474 -17.436 1.00 64.43 H new ATOM 0 HG13 ILE A 92 -9.811 1.921 -17.481 1.00 64.43 H new ATOM 0 HG21 ILE A 92 -12.759 -0.339 -17.356 1.00 2.24 H new ATOM 0 HG22 ILE A 92 -12.740 -0.544 -15.588 1.00 2.24 H new ATOM 0 HG23 ILE A 92 -13.244 1.008 -16.298 1.00 2.24 H new ATOM 0 HD11 ILE A 92 -10.872 1.684 -19.671 1.00 31.41 H new ATOM 0 HD12 ILE A 92 -10.447 0.089 -19.007 1.00 31.41 H new ATOM 0 HD13 ILE A 92 -12.135 0.650 -18.962 1.00 31.41 H new ATOM 1471 N ASP A 93 -11.988 0.447 -13.092 1.00 30.14 N ATOM 1472 CA ASP A 93 -12.199 -0.466 -11.974 1.00 73.42 C ATOM 1473 C ASP A 93 -13.390 -1.382 -12.237 1.00 64.12 C ATOM 1474 O ASP A 93 -14.486 -1.154 -11.725 1.00 10.20 O ATOM 1475 CB ASP A 93 -12.419 0.321 -10.681 1.00 51.55 C ATOM 1476 CG ASP A 93 -11.485 1.508 -10.558 1.00 53.03 C ATOM 1477 OD1 ASP A 93 -10.260 1.316 -10.700 1.00 53.31 O ATOM 1478 OD2 ASP A 93 -11.980 2.630 -10.321 1.00 44.21 O ATOM 0 H ASP A 93 -12.708 1.162 -13.195 1.00 30.14 H new ATOM 0 HA ASP A 93 -11.307 -1.083 -11.867 1.00 73.42 H new ATOM 0 HB2 ASP A 93 -13.451 0.669 -10.643 1.00 51.55 H new ATOM 0 HB3 ASP A 93 -12.274 -0.341 -9.827 1.00 51.55 H new ATOM 1483 N VAL A 94 -13.168 -2.417 -13.041 1.00 60.23 N ATOM 1484 CA VAL A 94 -14.223 -3.367 -13.372 1.00 34.32 C ATOM 1485 C VAL A 94 -14.495 -4.315 -12.210 1.00 44.13 C ATOM 1486 O VAL A 94 -13.884 -4.203 -11.147 1.00 44.05 O ATOM 1487 CB VAL A 94 -13.862 -4.194 -14.620 1.00 20.41 C ATOM 1488 CG1 VAL A 94 -13.795 -3.302 -15.851 1.00 64.01 C ATOM 1489 CG2 VAL A 94 -12.545 -4.926 -14.411 1.00 72.01 C ATOM 0 H VAL A 94 -12.267 -2.619 -13.475 1.00 60.23 H new ATOM 0 HA VAL A 94 -15.120 -2.783 -13.578 1.00 34.32 H new ATOM 0 HB VAL A 94 -14.643 -4.937 -14.781 1.00 20.41 H new ATOM 0 HG11 VAL A 94 -13.539 -3.904 -16.723 1.00 64.01 H new ATOM 0 HG12 VAL A 94 -14.763 -2.827 -16.010 1.00 64.01 H new ATOM 0 HG13 VAL A 94 -13.035 -2.535 -15.704 1.00 64.01 H new ATOM 0 HG21 VAL A 94 -12.305 -5.505 -15.303 1.00 72.01 H new ATOM 0 HG22 VAL A 94 -11.752 -4.202 -14.225 1.00 72.01 H new ATOM 0 HG23 VAL A 94 -12.633 -5.596 -13.556 1.00 72.01 H new ATOM 1499 N LYS A 95 -15.415 -5.250 -12.418 1.00 75.13 N ATOM 1500 CA LYS A 95 -15.768 -6.220 -11.389 1.00 72.23 C ATOM 1501 C LYS A 95 -15.409 -7.636 -11.829 1.00 24.12 C ATOM 1502 O LYS A 95 -15.162 -8.510 -10.998 1.00 21.03 O ATOM 1503 CB LYS A 95 -17.263 -6.138 -11.072 1.00 73.24 C ATOM 1504 CG LYS A 95 -18.154 -6.557 -12.229 1.00 23.21 C ATOM 1505 CD LYS A 95 -19.240 -5.528 -12.498 1.00 3.32 C ATOM 1506 CE LYS A 95 -20.435 -5.727 -11.578 1.00 14.21 C ATOM 1507 NZ LYS A 95 -21.396 -4.592 -11.666 1.00 10.41 N ATOM 0 H LYS A 95 -15.931 -5.357 -13.292 1.00 75.13 H new ATOM 0 HA LYS A 95 -15.198 -5.982 -10.491 1.00 72.23 H new ATOM 0 HB2 LYS A 95 -17.478 -6.771 -10.211 1.00 73.24 H new ATOM 0 HB3 LYS A 95 -17.510 -5.115 -10.786 1.00 73.24 H new ATOM 0 HG2 LYS A 95 -17.549 -6.691 -13.125 1.00 23.21 H new ATOM 0 HG3 LYS A 95 -18.612 -7.521 -12.006 1.00 23.21 H new ATOM 0 HD2 LYS A 95 -18.835 -4.525 -12.359 1.00 3.32 H new ATOM 0 HD3 LYS A 95 -19.563 -5.601 -13.537 1.00 3.32 H new ATOM 0 HE2 LYS A 95 -20.944 -6.655 -11.839 1.00 14.21 H new ATOM 0 HE3 LYS A 95 -20.089 -5.831 -10.550 1.00 14.21 H new ATOM 0 HZ1 LYS A 95 -22.196 -4.764 -11.025 1.00 10.41 H new ATOM 0 HZ2 LYS A 95 -20.917 -3.710 -11.393 1.00 10.41 H new ATOM 0 HZ3 LYS A 95 -21.746 -4.508 -12.642 1.00 10.41 H new ATOM 1521 N ASP A 96 -15.378 -7.853 -13.139 1.00 22.01 N ATOM 1522 CA ASP A 96 -15.045 -9.162 -13.690 1.00 40.34 C ATOM 1523 C ASP A 96 -14.421 -9.027 -15.075 1.00 43.23 C ATOM 1524 O ASP A 96 -14.241 -7.919 -15.581 1.00 24.12 O ATOM 1525 CB ASP A 96 -16.295 -10.040 -13.764 1.00 1.54 C ATOM 1526 CG ASP A 96 -17.529 -9.259 -14.169 1.00 65.12 C ATOM 1527 OD1 ASP A 96 -17.483 -8.576 -15.213 1.00 25.30 O ATOM 1528 OD2 ASP A 96 -18.541 -9.330 -13.441 1.00 52.21 O ATOM 0 H ASP A 96 -15.579 -7.140 -13.840 1.00 22.01 H new ATOM 0 HA ASP A 96 -14.318 -9.633 -13.028 1.00 40.34 H new ATOM 0 HB2 ASP A 96 -16.128 -10.845 -14.479 1.00 1.54 H new ATOM 0 HB3 ASP A 96 -16.466 -10.506 -12.794 1.00 1.54 H new ATOM 1533 N THR A 97 -14.091 -10.161 -15.684 1.00 2.42 N ATOM 1534 CA THR A 97 -13.485 -10.170 -17.008 1.00 23.34 C ATOM 1535 C THR A 97 -14.532 -9.950 -18.094 1.00 12.04 C ATOM 1536 O THR A 97 -14.227 -9.438 -19.172 1.00 43.43 O ATOM 1537 CB THR A 97 -12.749 -11.495 -17.282 1.00 4.02 C ATOM 1538 OG1 THR A 97 -11.750 -11.716 -16.280 1.00 4.35 O ATOM 1539 CG2 THR A 97 -12.100 -11.481 -18.658 1.00 41.15 C ATOM 0 H THR A 97 -14.234 -11.087 -15.280 1.00 2.42 H new ATOM 0 HA THR A 97 -12.765 -9.352 -17.030 1.00 23.34 H new ATOM 0 HB THR A 97 -13.480 -12.303 -17.252 1.00 4.02 H new ATOM 0 HG1 THR A 97 -11.955 -12.540 -15.790 1.00 4.35 H new ATOM 0 HG21 THR A 97 -11.587 -12.427 -18.828 1.00 41.15 H new ATOM 0 HG22 THR A 97 -12.867 -11.342 -19.420 1.00 41.15 H new ATOM 0 HG23 THR A 97 -11.381 -10.663 -18.713 1.00 41.15 H new ATOM 1547 N LYS A 98 -15.768 -10.339 -17.804 1.00 54.41 N ATOM 1548 CA LYS A 98 -16.863 -10.183 -18.753 1.00 13.02 C ATOM 1549 C LYS A 98 -17.153 -8.708 -19.014 1.00 3.34 C ATOM 1550 O LYS A 98 -17.288 -8.287 -20.161 1.00 74.42 O ATOM 1551 CB LYS A 98 -18.123 -10.876 -18.230 1.00 11.13 C ATOM 1552 CG LYS A 98 -19.284 -10.850 -19.209 1.00 22.34 C ATOM 1553 CD LYS A 98 -20.617 -10.720 -18.492 1.00 52.51 C ATOM 1554 CE LYS A 98 -21.639 -9.984 -19.344 1.00 42.51 C ATOM 1555 NZ LYS A 98 -23.023 -10.151 -18.817 1.00 32.55 N ATOM 0 H LYS A 98 -16.037 -10.766 -16.917 1.00 54.41 H new ATOM 0 HA LYS A 98 -16.563 -10.648 -19.692 1.00 13.02 H new ATOM 0 HB2 LYS A 98 -17.884 -11.912 -17.990 1.00 11.13 H new ATOM 0 HB3 LYS A 98 -18.432 -10.397 -17.301 1.00 11.13 H new ATOM 0 HG2 LYS A 98 -19.159 -10.017 -19.900 1.00 22.34 H new ATOM 0 HG3 LYS A 98 -19.278 -11.762 -19.805 1.00 22.34 H new ATOM 0 HD2 LYS A 98 -20.996 -11.711 -18.243 1.00 52.51 H new ATOM 0 HD3 LYS A 98 -20.475 -10.188 -17.551 1.00 52.51 H new ATOM 0 HE2 LYS A 98 -21.388 -8.924 -19.377 1.00 42.51 H new ATOM 0 HE3 LYS A 98 -21.593 -10.355 -20.368 1.00 42.51 H new ATOM 0 HZ1 LYS A 98 -23.691 -9.635 -19.425 1.00 32.55 H new ATOM 0 HZ2 LYS A 98 -23.272 -11.161 -18.809 1.00 32.55 H new ATOM 0 HZ3 LYS A 98 -23.074 -9.774 -17.849 1.00 32.55 H new ATOM 1569 N GLU A 99 -17.244 -7.929 -17.940 1.00 14.44 N ATOM 1570 CA GLU A 99 -17.516 -6.502 -18.054 1.00 71.11 C ATOM 1571 C GLU A 99 -16.343 -5.774 -18.703 1.00 0.20 C ATOM 1572 O GLU A 99 -16.520 -5.017 -19.656 1.00 24.23 O ATOM 1573 CB GLU A 99 -17.802 -5.903 -16.674 1.00 33.15 C ATOM 1574 CG GLU A 99 -18.151 -4.425 -16.714 1.00 63.41 C ATOM 1575 CD GLU A 99 -18.973 -3.988 -15.517 1.00 75.21 C ATOM 1576 OE1 GLU A 99 -20.185 -4.290 -15.486 1.00 34.32 O ATOM 1577 OE2 GLU A 99 -18.405 -3.345 -14.610 1.00 2.20 O ATOM 0 H GLU A 99 -17.133 -8.263 -16.982 1.00 14.44 H new ATOM 0 HA GLU A 99 -18.394 -6.375 -18.687 1.00 71.11 H new ATOM 0 HB2 GLU A 99 -18.625 -6.450 -16.213 1.00 33.15 H new ATOM 0 HB3 GLU A 99 -16.929 -6.045 -16.037 1.00 33.15 H new ATOM 0 HG2 GLU A 99 -17.232 -3.839 -16.753 1.00 63.41 H new ATOM 0 HG3 GLU A 99 -18.705 -4.211 -17.628 1.00 63.41 H new ATOM 1584 N ALA A 100 -15.145 -6.010 -18.179 1.00 2.53 N ATOM 1585 CA ALA A 100 -13.942 -5.379 -18.707 1.00 13.14 C ATOM 1586 C ALA A 100 -13.826 -5.592 -20.213 1.00 74.24 C ATOM 1587 O ALA A 100 -13.293 -4.745 -20.931 1.00 30.11 O ATOM 1588 CB ALA A 100 -12.707 -5.921 -18.000 1.00 54.11 C ATOM 0 H ALA A 100 -14.982 -6.634 -17.389 1.00 2.53 H new ATOM 0 HA ALA A 100 -14.013 -4.307 -18.521 1.00 13.14 H new ATOM 0 HB1 ALA A 100 -11.816 -5.441 -18.405 1.00 54.11 H new ATOM 0 HB2 ALA A 100 -12.778 -5.713 -16.932 1.00 54.11 H new ATOM 0 HB3 ALA A 100 -12.641 -6.998 -18.156 1.00 54.11 H new ATOM 1594 N LEU A 101 -14.329 -6.727 -20.686 1.00 53.43 N ATOM 1595 CA LEU A 101 -14.283 -7.051 -22.107 1.00 74.41 C ATOM 1596 C LEU A 101 -15.273 -6.198 -22.893 1.00 72.13 C ATOM 1597 O LEU A 101 -15.012 -5.819 -24.035 1.00 53.24 O ATOM 1598 CB LEU A 101 -14.586 -8.535 -22.322 1.00 33.00 C ATOM 1599 CG LEU A 101 -13.453 -9.507 -21.992 1.00 20.33 C ATOM 1600 CD1 LEU A 101 -14.002 -10.904 -21.749 1.00 3.04 C ATOM 1601 CD2 LEU A 101 -12.422 -9.525 -23.112 1.00 65.32 C ATOM 0 H LEU A 101 -14.774 -7.438 -20.106 1.00 53.43 H new ATOM 0 HA LEU A 101 -13.278 -6.836 -22.471 1.00 74.41 H new ATOM 0 HB2 LEU A 101 -15.453 -8.800 -21.716 1.00 33.00 H new ATOM 0 HB3 LEU A 101 -14.870 -8.680 -23.364 1.00 33.00 H new ATOM 0 HG LEU A 101 -12.963 -9.167 -21.079 1.00 20.33 H new ATOM 0 HD11 LEU A 101 -13.181 -11.582 -21.516 1.00 3.04 H new ATOM 0 HD12 LEU A 101 -14.701 -10.880 -20.913 1.00 3.04 H new ATOM 0 HD13 LEU A 101 -14.518 -11.253 -22.644 1.00 3.04 H new ATOM 0 HD21 LEU A 101 -11.623 -10.222 -22.860 1.00 65.32 H new ATOM 0 HD22 LEU A 101 -12.899 -9.840 -24.040 1.00 65.32 H new ATOM 0 HD23 LEU A 101 -12.005 -8.526 -23.239 1.00 65.32 H new ATOM 1613 N ASP A 102 -16.410 -5.898 -22.273 1.00 10.24 N ATOM 1614 CA ASP A 102 -17.439 -5.087 -22.913 1.00 35.42 C ATOM 1615 C ASP A 102 -16.991 -3.634 -23.030 1.00 4.22 C ATOM 1616 O ASP A 102 -17.328 -2.944 -23.993 1.00 0.53 O ATOM 1617 CB ASP A 102 -18.746 -5.169 -22.124 1.00 53.35 C ATOM 1618 CG ASP A 102 -19.600 -6.352 -22.538 1.00 21.31 C ATOM 1619 OD1 ASP A 102 -19.365 -7.462 -22.018 1.00 11.42 O ATOM 1620 OD2 ASP A 102 -20.501 -6.167 -23.383 1.00 13.52 O ATOM 0 H ASP A 102 -16.642 -6.204 -21.328 1.00 10.24 H new ATOM 0 HA ASP A 102 -17.604 -5.479 -23.917 1.00 35.42 H new ATOM 0 HB2 ASP A 102 -18.521 -5.242 -21.060 1.00 53.35 H new ATOM 0 HB3 ASP A 102 -19.312 -4.248 -22.267 1.00 53.35 H new ATOM 1625 N LYS A 103 -16.230 -3.174 -22.043 1.00 61.34 N ATOM 1626 CA LYS A 103 -15.735 -1.802 -22.034 1.00 42.51 C ATOM 1627 C LYS A 103 -14.783 -1.559 -23.201 1.00 53.33 C ATOM 1628 O LYS A 103 -14.764 -0.474 -23.782 1.00 10.24 O ATOM 1629 CB LYS A 103 -15.024 -1.504 -20.712 1.00 44.50 C ATOM 1630 CG LYS A 103 -15.174 -0.065 -20.251 1.00 42.24 C ATOM 1631 CD LYS A 103 -16.605 0.243 -19.844 1.00 74.42 C ATOM 1632 CE LYS A 103 -16.959 1.698 -20.110 1.00 63.21 C ATOM 1633 NZ LYS A 103 -18.131 1.828 -21.021 1.00 5.20 N ATOM 0 H LYS A 103 -15.942 -3.731 -21.239 1.00 61.34 H new ATOM 0 HA LYS A 103 -16.589 -1.133 -22.140 1.00 42.51 H new ATOM 0 HB2 LYS A 103 -15.417 -2.166 -19.941 1.00 44.50 H new ATOM 0 HB3 LYS A 103 -13.964 -1.733 -20.820 1.00 44.50 H new ATOM 0 HG2 LYS A 103 -14.507 0.120 -19.409 1.00 42.24 H new ATOM 0 HG3 LYS A 103 -14.869 0.608 -21.052 1.00 42.24 H new ATOM 0 HD2 LYS A 103 -17.288 -0.405 -20.393 1.00 74.42 H new ATOM 0 HD3 LYS A 103 -16.739 0.023 -18.785 1.00 74.42 H new ATOM 0 HE2 LYS A 103 -17.176 2.197 -19.166 1.00 63.21 H new ATOM 0 HE3 LYS A 103 -16.100 2.206 -20.549 1.00 63.21 H new ATOM 0 HZ1 LYS A 103 -18.340 2.835 -21.177 1.00 5.20 H new ATOM 0 HZ2 LYS A 103 -17.915 1.374 -21.932 1.00 5.20 H new ATOM 0 HZ3 LYS A 103 -18.958 1.366 -20.591 1.00 5.20 H new ATOM 1647 N ILE A 104 -13.998 -2.576 -23.539 1.00 21.14 N ATOM 1648 CA ILE A 104 -13.047 -2.473 -24.638 1.00 30.43 C ATOM 1649 C ILE A 104 -13.736 -2.681 -25.982 1.00 34.34 C ATOM 1650 O ILE A 104 -13.316 -2.126 -26.998 1.00 75.22 O ATOM 1651 CB ILE A 104 -11.906 -3.498 -24.494 1.00 15.14 C ATOM 1652 CG1 ILE A 104 -11.214 -3.337 -23.140 1.00 3.11 C ATOM 1653 CG2 ILE A 104 -10.905 -3.339 -25.629 1.00 33.34 C ATOM 1654 CD1 ILE A 104 -10.213 -4.430 -22.838 1.00 31.32 C ATOM 0 H ILE A 104 -14.002 -3.480 -23.068 1.00 21.14 H new ATOM 0 HA ILE A 104 -12.628 -1.468 -24.599 1.00 30.43 H new ATOM 0 HB ILE A 104 -12.330 -4.501 -24.547 1.00 15.14 H new ATOM 0 HG12 ILE A 104 -10.706 -2.373 -23.113 1.00 3.11 H new ATOM 0 HG13 ILE A 104 -11.970 -3.321 -22.355 1.00 3.11 H new ATOM 0 HG21 ILE A 104 -10.105 -4.070 -25.513 1.00 33.34 H new ATOM 0 HG22 ILE A 104 -11.408 -3.499 -26.583 1.00 33.34 H new ATOM 0 HG23 ILE A 104 -10.484 -2.334 -25.605 1.00 33.34 H new ATOM 0 HD11 ILE A 104 -9.762 -4.251 -21.862 1.00 31.32 H new ATOM 0 HD12 ILE A 104 -10.719 -5.395 -22.832 1.00 31.32 H new ATOM 0 HD13 ILE A 104 -9.436 -4.433 -23.602 1.00 31.32 H new