USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 809 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot 144:sc= -2.24! USER MOD Set 1.2: A 97 THR OG1 : rot 87:sc= 1.68 USER MOD Set 2.1: A 86 TYR OH : rot -158:sc= 0.118 USER MOD Set 2.2: A 90 GLN : amide:sc= 0.0722 X(o=0.19,f=-0.075) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -2.58 X(o=-2.6,f=-2.7) 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= 0.104 K(o=0.1,f=-4.9!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.454 USER MOD Single : A 54 SER OG : rot 180:sc= 0.131 USER MOD Single : A 57 CYS SG : rot 100:sc= -1.73 USER MOD Single : A 59 GLN : amide:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 112:sc= 0.0309 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0382 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN :FLIP amide:sc= -2.03 F(o=-2.7!,f=-2) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 150:sc= -0.0715 USER MOD Single : A 89 HIS : no HD1:sc= -1.77! C(o=-1.8!,f=-5.6!) 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 ARG A 7 6.653 6.420 -3.773 1.00 3.32 N ATOM 64 CA ARG A 7 7.837 6.091 -2.989 1.00 10.43 C ATOM 65 C ARG A 7 8.385 4.723 -3.380 1.00 64.33 C ATOM 66 O ARG A 7 9.598 4.537 -3.494 1.00 45.31 O ATOM 67 CB ARG A 7 7.507 6.111 -1.495 1.00 15.23 C ATOM 68 CG ARG A 7 8.662 6.572 -0.622 1.00 40.20 C ATOM 69 CD ARG A 7 8.963 8.048 -0.828 1.00 52.00 C ATOM 70 NE ARG A 7 10.398 8.320 -0.831 1.00 33.11 N ATOM 71 CZ ARG A 7 11.122 8.453 0.275 1.00 70.33 C ATOM 72 NH1 ARG A 7 10.549 8.340 1.465 1.00 71.21 N ATOM 73 NH2 ARG A 7 12.424 8.699 0.191 1.00 15.40 N ATOM 0 HA ARG A 7 8.599 6.842 -3.197 1.00 10.43 H new ATOM 0 HB2 ARG A 7 6.653 6.767 -1.329 1.00 15.23 H new ATOM 0 HB3 ARG A 7 7.205 5.111 -1.185 1.00 15.23 H new ATOM 0 HG2 ARG A 7 8.422 6.392 0.426 1.00 40.20 H new ATOM 0 HG3 ARG A 7 9.550 5.983 -0.851 1.00 40.20 H new ATOM 0 HD2 ARG A 7 8.530 8.378 -1.772 1.00 52.00 H new ATOM 0 HD3 ARG A 7 8.486 8.629 -0.039 1.00 52.00 H new ATOM 0 HE ARG A 7 10.870 8.413 -1.731 1.00 33.11 H new ATOM 0 HH11 ARG A 7 9.549 8.150 1.534 1.00 71.21 H new ATOM 0 HH12 ARG A 7 11.108 8.443 2.312 1.00 71.21 H new ATOM 0 HH21 ARG A 7 12.869 8.786 -0.723 1.00 15.40 H new ATOM 0 HH22 ARG A 7 12.980 8.801 1.040 1.00 15.40 H new ATOM 87 N LEU A 8 7.486 3.766 -3.585 1.00 41.42 N ATOM 88 CA LEU A 8 7.880 2.414 -3.964 1.00 14.42 C ATOM 89 C LEU A 8 8.347 2.369 -5.414 1.00 64.12 C ATOM 90 O LEU A 8 8.189 3.337 -6.158 1.00 64.43 O ATOM 91 CB LEU A 8 6.712 1.446 -3.762 1.00 4.01 C ATOM 92 CG LEU A 8 6.074 1.444 -2.373 1.00 24.01 C ATOM 93 CD1 LEU A 8 5.003 0.369 -2.278 1.00 33.20 C ATOM 94 CD2 LEU A 8 7.134 1.239 -1.300 1.00 4.41 C ATOM 0 H LEU A 8 6.479 3.902 -3.495 1.00 41.42 H new ATOM 0 HA LEU A 8 8.710 2.111 -3.325 1.00 14.42 H new ATOM 0 HB2 LEU A 8 5.940 1.682 -4.494 1.00 4.01 H new ATOM 0 HB3 LEU A 8 7.061 0.437 -3.981 1.00 4.01 H new ATOM 0 HG LEU A 8 5.602 2.413 -2.210 1.00 24.01 H new ATOM 0 HD11 LEU A 8 4.561 0.383 -1.282 1.00 33.20 H new ATOM 0 HD12 LEU A 8 4.229 0.560 -3.022 1.00 33.20 H new ATOM 0 HD13 LEU A 8 5.450 -0.608 -2.462 1.00 33.20 H new ATOM 0 HD21 LEU A 8 6.662 1.240 -0.317 1.00 4.41 H new ATOM 0 HD22 LEU A 8 7.635 0.284 -1.461 1.00 4.41 H new ATOM 0 HD23 LEU A 8 7.865 2.046 -1.352 1.00 4.41 H new ATOM 106 N SER A 9 8.922 1.238 -5.811 1.00 23.21 N ATOM 107 CA SER A 9 9.415 1.067 -7.173 1.00 1.00 C ATOM 108 C SER A 9 9.177 -0.359 -7.662 1.00 41.42 C ATOM 109 O SER A 9 8.581 -1.175 -6.962 1.00 53.31 O ATOM 110 CB SER A 9 10.906 1.401 -7.244 1.00 1.21 C ATOM 111 OG SER A 9 11.419 1.725 -5.963 1.00 31.31 O ATOM 0 H SER A 9 9.058 0.426 -5.209 1.00 23.21 H new ATOM 0 HA SER A 9 8.866 1.751 -7.820 1.00 1.00 H new ATOM 0 HB2 SER A 9 11.453 0.552 -7.654 1.00 1.21 H new ATOM 0 HB3 SER A 9 11.062 2.239 -7.924 1.00 1.21 H new ATOM 0 HG SER A 9 12.374 1.933 -6.036 1.00 31.31 H new ATOM 117 N GLY A 10 9.650 -0.649 -8.870 1.00 21.53 N ATOM 118 CA GLY A 10 9.479 -1.976 -9.433 1.00 65.30 C ATOM 119 C GLY A 10 9.840 -3.074 -8.451 1.00 51.42 C ATOM 120 O GLY A 10 9.186 -4.115 -8.406 1.00 4.42 O ATOM 0 H GLY A 10 10.148 0.010 -9.468 1.00 21.53 H new ATOM 0 HA2 GLY A 10 8.444 -2.102 -9.750 1.00 65.30 H new ATOM 0 HA3 GLY A 10 10.099 -2.072 -10.324 1.00 65.30 H new ATOM 124 N GLY A 11 10.885 -2.841 -7.664 1.00 3.05 N ATOM 125 CA GLY A 11 11.315 -3.828 -6.690 1.00 12.01 C ATOM 126 C GLY A 11 10.241 -4.139 -5.667 1.00 40.43 C ATOM 127 O GLY A 11 9.859 -5.294 -5.491 1.00 71.35 O ATOM 0 H GLY A 11 11.442 -1.987 -7.683 1.00 3.05 H new ATOM 0 HA2 GLY A 11 11.597 -4.745 -7.207 1.00 12.01 H new ATOM 0 HA3 GLY A 11 12.206 -3.464 -6.178 1.00 12.01 H new ATOM 131 N GLU A 12 9.753 -3.103 -4.990 1.00 61.20 N ATOM 132 CA GLU A 12 8.718 -3.273 -3.976 1.00 65.04 C ATOM 133 C GLU A 12 7.387 -3.656 -4.618 1.00 23.35 C ATOM 134 O GLU A 12 6.539 -4.286 -3.984 1.00 43.41 O ATOM 135 CB GLU A 12 8.554 -1.988 -3.163 1.00 54.42 C ATOM 136 CG GLU A 12 8.746 -2.184 -1.669 1.00 52.15 C ATOM 137 CD GLU A 12 10.089 -1.678 -1.182 1.00 20.15 C ATOM 138 OE1 GLU A 12 10.312 -0.450 -1.223 1.00 51.02 O ATOM 139 OE2 GLU A 12 10.918 -2.511 -0.759 1.00 0.20 O ATOM 0 H GLU A 12 10.057 -2.139 -5.125 1.00 61.20 H new ATOM 0 HA GLU A 12 9.026 -4.079 -3.309 1.00 65.04 H new ATOM 0 HB2 GLU A 12 9.272 -1.249 -3.519 1.00 54.42 H new ATOM 0 HB3 GLU A 12 7.560 -1.579 -3.342 1.00 54.42 H new ATOM 0 HG2 GLU A 12 7.951 -1.666 -1.133 1.00 52.15 H new ATOM 0 HG3 GLU A 12 8.653 -3.244 -1.431 1.00 52.15 H new ATOM 146 N LEU A 13 7.213 -3.274 -5.878 1.00 14.54 N ATOM 147 CA LEU A 13 5.985 -3.575 -6.606 1.00 20.42 C ATOM 148 C LEU A 13 5.814 -5.081 -6.784 1.00 43.22 C ATOM 149 O LEU A 13 4.696 -5.578 -6.920 1.00 4.25 O ATOM 150 CB LEU A 13 5.995 -2.886 -7.971 1.00 65.43 C ATOM 151 CG LEU A 13 4.691 -2.205 -8.389 1.00 25.42 C ATOM 152 CD1 LEU A 13 4.967 -0.809 -8.925 1.00 4.40 C ATOM 153 CD2 LEU A 13 3.962 -3.043 -9.429 1.00 44.33 C ATOM 0 H LEU A 13 7.906 -2.755 -6.417 1.00 14.54 H new ATOM 0 HA LEU A 13 5.144 -3.198 -6.023 1.00 20.42 H new ATOM 0 HB2 LEU A 13 6.788 -2.139 -7.973 1.00 65.43 H new ATOM 0 HB3 LEU A 13 6.253 -3.627 -8.728 1.00 65.43 H new ATOM 0 HG LEU A 13 4.052 -2.115 -7.511 1.00 25.42 H new ATOM 0 HD11 LEU A 13 4.028 -0.339 -9.218 1.00 4.40 H new ATOM 0 HD12 LEU A 13 5.446 -0.210 -8.151 1.00 4.40 H new ATOM 0 HD13 LEU A 13 5.625 -0.875 -9.792 1.00 4.40 H new ATOM 0 HD21 LEU A 13 3.036 -2.543 -9.715 1.00 44.33 H new ATOM 0 HD22 LEU A 13 4.595 -3.164 -10.308 1.00 44.33 H new ATOM 0 HD23 LEU A 13 3.731 -4.023 -9.010 1.00 44.33 H new ATOM 165 N ASP A 14 6.931 -5.802 -6.782 1.00 1.22 N ATOM 166 CA ASP A 14 6.906 -7.250 -6.940 1.00 33.43 C ATOM 167 C ASP A 14 6.170 -7.912 -5.778 1.00 22.01 C ATOM 168 O ASP A 14 5.381 -8.836 -5.974 1.00 40.00 O ATOM 169 CB ASP A 14 8.330 -7.799 -7.037 1.00 61.20 C ATOM 170 CG ASP A 14 8.497 -8.777 -8.184 1.00 73.43 C ATOM 171 OD1 ASP A 14 8.833 -8.330 -9.301 1.00 62.00 O ATOM 172 OD2 ASP A 14 8.291 -9.989 -7.965 1.00 2.24 O ATOM 0 H ASP A 14 7.865 -5.406 -6.673 1.00 1.22 H new ATOM 0 HA ASP A 14 6.373 -7.480 -7.862 1.00 33.43 H new ATOM 0 HB2 ASP A 14 9.027 -6.971 -7.165 1.00 61.20 H new ATOM 0 HB3 ASP A 14 8.590 -8.293 -6.101 1.00 61.20 H new ATOM 177 N LYS A 15 6.437 -7.433 -4.567 1.00 51.43 N ATOM 178 CA LYS A 15 5.801 -7.977 -3.372 1.00 41.53 C ATOM 179 C LYS A 15 4.404 -7.393 -3.187 1.00 2.34 C ATOM 180 O LYS A 15 3.481 -8.093 -2.770 1.00 53.45 O ATOM 181 CB LYS A 15 6.656 -7.683 -2.138 1.00 63.21 C ATOM 182 CG LYS A 15 7.503 -8.862 -1.692 1.00 5.03 C ATOM 183 CD LYS A 15 6.752 -9.752 -0.716 1.00 5.40 C ATOM 184 CE LYS A 15 6.847 -9.223 0.708 1.00 61.45 C ATOM 185 NZ LYS A 15 8.150 -9.567 1.341 1.00 33.22 N ATOM 0 H LYS A 15 7.089 -6.670 -4.387 1.00 51.43 H new ATOM 0 HA LYS A 15 5.711 -9.056 -3.496 1.00 41.53 H new ATOM 0 HB2 LYS A 15 7.309 -6.837 -2.352 1.00 63.21 H new ATOM 0 HB3 LYS A 15 6.004 -7.383 -1.317 1.00 63.21 H new ATOM 0 HG2 LYS A 15 7.802 -9.446 -2.562 1.00 5.03 H new ATOM 0 HG3 LYS A 15 8.417 -8.498 -1.224 1.00 5.03 H new ATOM 0 HD2 LYS A 15 5.705 -9.816 -1.012 1.00 5.40 H new ATOM 0 HD3 LYS A 15 7.158 -10.763 -0.758 1.00 5.40 H new ATOM 0 HE2 LYS A 15 6.720 -8.140 0.703 1.00 61.45 H new ATOM 0 HE3 LYS A 15 6.033 -9.636 1.304 1.00 61.45 H new ATOM 0 HZ1 LYS A 15 8.176 -9.189 2.310 1.00 33.22 H new ATOM 0 HZ2 LYS A 15 8.260 -10.601 1.369 1.00 33.22 H new ATOM 0 HZ3 LYS A 15 8.926 -9.151 0.787 1.00 33.22 H new ATOM 199 N TRP A 16 4.257 -6.110 -3.499 1.00 23.44 N ATOM 200 CA TRP A 16 2.971 -5.435 -3.367 1.00 50.21 C ATOM 201 C TRP A 16 1.917 -6.094 -4.249 1.00 11.31 C ATOM 202 O TRP A 16 0.754 -6.205 -3.863 1.00 52.25 O ATOM 203 CB TRP A 16 3.109 -3.956 -3.733 1.00 32.45 C ATOM 204 CG TRP A 16 1.800 -3.226 -3.757 1.00 65.24 C ATOM 205 CD1 TRP A 16 1.203 -2.651 -4.843 1.00 65.05 C ATOM 206 CD2 TRP A 16 0.929 -2.992 -2.647 1.00 4.52 C ATOM 207 NE1 TRP A 16 0.013 -2.073 -4.474 1.00 0.13 N ATOM 208 CE2 TRP A 16 -0.178 -2.269 -3.131 1.00 13.32 C ATOM 209 CE3 TRP A 16 0.975 -3.323 -1.290 1.00 31.25 C ATOM 210 CZ2 TRP A 16 -1.228 -1.872 -2.306 1.00 63.12 C ATOM 211 CZ3 TRP A 16 -0.067 -2.929 -0.472 1.00 30.41 C ATOM 212 CH2 TRP A 16 -1.157 -2.210 -0.982 1.00 23.33 C ATOM 0 H TRP A 16 5.012 -5.517 -3.845 1.00 23.44 H new ATOM 0 HA TRP A 16 2.650 -5.517 -2.328 1.00 50.21 H new ATOM 0 HB2 TRP A 16 3.774 -3.472 -3.017 1.00 32.45 H new ATOM 0 HB3 TRP A 16 3.581 -3.874 -4.712 1.00 32.45 H new ATOM 0 HD1 TRP A 16 1.607 -2.651 -5.844 1.00 65.05 H new ATOM 0 HE1 TRP A 16 -0.625 -1.578 -5.098 1.00 0.13 H new ATOM 0 HE3 TRP A 16 1.810 -3.877 -0.888 1.00 31.25 H new ATOM 0 HZ2 TRP A 16 -2.068 -1.317 -2.697 1.00 63.12 H new ATOM 0 HZ3 TRP A 16 -0.041 -3.179 0.578 1.00 30.41 H new ATOM 0 HH2 TRP A 16 -1.956 -1.917 -0.317 1.00 23.33 H new ATOM 223 N GLU A 17 2.331 -6.529 -5.435 1.00 5.11 N ATOM 224 CA GLU A 17 1.421 -7.177 -6.371 1.00 41.31 C ATOM 225 C GLU A 17 1.312 -8.671 -6.079 1.00 52.04 C ATOM 226 O GLU A 17 0.509 -9.377 -6.690 1.00 25.02 O ATOM 227 CB GLU A 17 1.894 -6.960 -7.810 1.00 24.34 C ATOM 228 CG GLU A 17 1.664 -5.548 -8.322 1.00 34.15 C ATOM 229 CD GLU A 17 1.475 -5.496 -9.825 1.00 13.41 C ATOM 230 OE1 GLU A 17 1.680 -6.535 -10.486 1.00 61.23 O ATOM 231 OE2 GLU A 17 1.121 -4.414 -10.340 1.00 74.55 O ATOM 0 H GLU A 17 3.291 -6.444 -5.770 1.00 5.11 H new ATOM 0 HA GLU A 17 0.435 -6.728 -6.249 1.00 41.31 H new ATOM 0 HB2 GLU A 17 2.957 -7.191 -7.872 1.00 24.34 H new ATOM 0 HB3 GLU A 17 1.376 -7.663 -8.463 1.00 24.34 H new ATOM 0 HG2 GLU A 17 0.785 -5.128 -7.834 1.00 34.15 H new ATOM 0 HG3 GLU A 17 2.512 -4.922 -8.044 1.00 34.15 H new ATOM 238 N LYS A 18 2.125 -9.145 -5.141 1.00 74.23 N ATOM 239 CA LYS A 18 2.120 -10.554 -4.767 1.00 21.35 C ATOM 240 C LYS A 18 1.059 -10.832 -3.707 1.00 14.12 C ATOM 241 O LYS A 18 0.721 -11.985 -3.441 1.00 72.42 O ATOM 242 CB LYS A 18 3.498 -10.968 -4.244 1.00 22.33 C ATOM 243 CG LYS A 18 3.936 -12.346 -4.710 1.00 4.32 C ATOM 244 CD LYS A 18 4.937 -12.256 -5.849 1.00 63.02 C ATOM 245 CE LYS A 18 5.686 -13.567 -6.037 1.00 54.33 C ATOM 246 NZ LYS A 18 5.653 -14.026 -7.455 1.00 0.44 N ATOM 0 H LYS A 18 2.795 -8.574 -4.626 1.00 74.23 H new ATOM 0 HA LYS A 18 1.883 -11.139 -5.655 1.00 21.35 H new ATOM 0 HB2 LYS A 18 4.236 -10.233 -4.566 1.00 22.33 H new ATOM 0 HB3 LYS A 18 3.485 -10.949 -3.154 1.00 22.33 H new ATOM 0 HG2 LYS A 18 4.380 -12.889 -3.876 1.00 4.32 H new ATOM 0 HG3 LYS A 18 3.065 -12.916 -5.034 1.00 4.32 H new ATOM 0 HD2 LYS A 18 4.418 -11.997 -6.772 1.00 63.02 H new ATOM 0 HD3 LYS A 18 5.648 -11.455 -5.648 1.00 63.02 H new ATOM 0 HE2 LYS A 18 6.721 -13.443 -5.719 1.00 54.33 H new ATOM 0 HE3 LYS A 18 5.246 -14.332 -5.397 1.00 54.33 H new ATOM 0 HZ1 LYS A 18 6.174 -14.922 -7.542 1.00 0.44 H new ATOM 0 HZ2 LYS A 18 4.666 -14.169 -7.751 1.00 0.44 H new ATOM 0 HZ3 LYS A 18 6.096 -13.308 -8.063 1.00 0.44 H new ATOM 260 N ILE A 19 0.537 -9.768 -3.106 1.00 13.32 N ATOM 261 CA ILE A 19 -0.488 -9.898 -2.077 1.00 75.45 C ATOM 262 C ILE A 19 -1.878 -10.006 -2.697 1.00 1.42 C ATOM 263 O ILE A 19 -2.235 -9.232 -3.584 1.00 4.31 O ATOM 264 CB ILE A 19 -0.464 -8.706 -1.103 1.00 41.35 C ATOM 265 CG1 ILE A 19 0.924 -8.561 -0.474 1.00 54.11 C ATOM 266 CG2 ILE A 19 -1.524 -8.879 -0.027 1.00 12.33 C ATOM 267 CD1 ILE A 19 1.507 -7.172 -0.610 1.00 12.13 C ATOM 0 H ILE A 19 0.807 -8.806 -3.314 1.00 13.32 H new ATOM 0 HA ILE A 19 -0.266 -10.811 -1.525 1.00 75.45 H new ATOM 0 HB ILE A 19 -0.686 -7.796 -1.660 1.00 41.35 H new ATOM 0 HG12 ILE A 19 0.864 -8.819 0.583 1.00 54.11 H new ATOM 0 HG13 ILE A 19 1.601 -9.278 -0.939 1.00 54.11 H new ATOM 0 HG21 ILE A 19 -1.494 -8.028 0.653 1.00 12.33 H new ATOM 0 HG22 ILE A 19 -2.508 -8.937 -0.492 1.00 12.33 H new ATOM 0 HG23 ILE A 19 -1.331 -9.796 0.530 1.00 12.33 H new ATOM 0 HD11 ILE A 19 2.491 -7.143 -0.142 1.00 12.13 H new ATOM 0 HD12 ILE A 19 1.600 -6.918 -1.666 1.00 12.13 H new ATOM 0 HD13 ILE A 19 0.851 -6.452 -0.120 1.00 12.13 H new ATOM 279 N ARG A 20 -2.658 -10.970 -2.220 1.00 61.34 N ATOM 280 CA ARG A 20 -4.009 -11.179 -2.727 1.00 31.32 C ATOM 281 C ARG A 20 -5.020 -10.352 -1.939 1.00 2.53 C ATOM 282 O ARG A 20 -4.894 -10.192 -0.724 1.00 11.53 O ATOM 283 CB ARG A 20 -4.381 -12.662 -2.654 1.00 13.13 C ATOM 284 CG ARG A 20 -3.364 -13.578 -3.314 1.00 25.41 C ATOM 285 CD ARG A 20 -4.036 -14.768 -3.981 1.00 15.11 C ATOM 286 NE ARG A 20 -3.246 -15.291 -5.092 1.00 1.42 N ATOM 287 CZ ARG A 20 -2.212 -16.111 -4.937 1.00 52.34 C ATOM 288 NH1 ARG A 20 -1.846 -16.499 -3.723 1.00 74.02 N ATOM 289 NH2 ARG A 20 -1.543 -16.545 -5.998 1.00 13.42 N ATOM 0 H ARG A 20 -2.378 -11.618 -1.484 1.00 61.34 H new ATOM 0 HA ARG A 20 -4.033 -10.856 -3.768 1.00 31.32 H new ATOM 0 HB2 ARG A 20 -4.491 -12.949 -1.608 1.00 13.13 H new ATOM 0 HB3 ARG A 20 -5.351 -12.808 -3.129 1.00 13.13 H new ATOM 0 HG2 ARG A 20 -2.795 -13.017 -4.056 1.00 25.41 H new ATOM 0 HG3 ARG A 20 -2.653 -13.932 -2.567 1.00 25.41 H new ATOM 0 HD2 ARG A 20 -4.192 -15.556 -3.244 1.00 15.11 H new ATOM 0 HD3 ARG A 20 -5.020 -14.472 -4.344 1.00 15.11 H new ATOM 0 HE ARG A 20 -3.502 -15.012 -6.039 1.00 1.42 H new ATOM 0 HH11 ARG A 20 -2.359 -16.168 -2.906 1.00 74.02 H new ATOM 0 HH12 ARG A 20 -1.052 -17.129 -3.607 1.00 74.02 H new ATOM 0 HH21 ARG A 20 -1.822 -16.249 -6.933 1.00 13.42 H new ATOM 0 HH22 ARG A 20 -0.749 -17.174 -5.878 1.00 13.42 H new ATOM 303 N LEU A 21 -6.020 -9.826 -2.637 1.00 53.14 N ATOM 304 CA LEU A 21 -7.052 -9.013 -2.003 1.00 70.42 C ATOM 305 C LEU A 21 -8.000 -9.881 -1.181 1.00 21.04 C ATOM 306 O LEU A 21 -8.381 -9.518 -0.068 1.00 74.31 O ATOM 307 CB LEU A 21 -7.840 -8.239 -3.060 1.00 54.14 C ATOM 308 CG LEU A 21 -7.011 -7.415 -4.046 1.00 45.31 C ATOM 309 CD1 LEU A 21 -7.912 -6.539 -4.903 1.00 32.35 C ATOM 310 CD2 LEU A 21 -5.989 -6.566 -3.304 1.00 12.41 C ATOM 0 H LEU A 21 -6.138 -9.948 -3.643 1.00 53.14 H new ATOM 0 HA LEU A 21 -6.562 -8.306 -1.333 1.00 70.42 H new ATOM 0 HB2 LEU A 21 -8.442 -8.949 -3.627 1.00 54.14 H new ATOM 0 HB3 LEU A 21 -8.532 -7.569 -2.550 1.00 54.14 H new ATOM 0 HG LEU A 21 -6.477 -8.102 -4.703 1.00 45.31 H new ATOM 0 HD11 LEU A 21 -7.303 -5.961 -5.598 1.00 32.35 H new ATOM 0 HD12 LEU A 21 -8.604 -7.167 -5.463 1.00 32.35 H new ATOM 0 HD13 LEU A 21 -8.475 -5.860 -4.263 1.00 32.35 H new ATOM 0 HD21 LEU A 21 -5.408 -5.986 -4.021 1.00 12.41 H new ATOM 0 HD22 LEU A 21 -6.504 -5.889 -2.623 1.00 12.41 H new ATOM 0 HD23 LEU A 21 -5.322 -7.214 -2.736 1.00 12.41 H new ATOM 322 N ARG A 22 -8.374 -11.030 -1.735 1.00 52.14 N ATOM 323 CA ARG A 22 -9.276 -11.950 -1.054 1.00 23.21 C ATOM 324 C ARG A 22 -8.510 -13.140 -0.484 1.00 43.24 C ATOM 325 O ARG A 22 -7.363 -13.404 -0.847 1.00 41.54 O ATOM 326 CB ARG A 22 -10.361 -12.440 -2.015 1.00 0.45 C ATOM 327 CG ARG A 22 -11.704 -11.755 -1.818 1.00 4.35 C ATOM 328 CD ARG A 22 -12.859 -12.693 -2.131 1.00 3.42 C ATOM 329 NE ARG A 22 -13.301 -12.572 -3.517 1.00 71.51 N ATOM 330 CZ ARG A 22 -14.493 -12.973 -3.945 1.00 51.10 C ATOM 331 NH1 ARG A 22 -15.357 -13.516 -3.099 1.00 11.22 N ATOM 332 NH2 ARG A 22 -14.823 -12.829 -5.223 1.00 60.10 N ATOM 0 H ARG A 22 -8.066 -11.346 -2.655 1.00 52.14 H new ATOM 0 HA ARG A 22 -9.746 -11.414 -0.229 1.00 23.21 H new ATOM 0 HB2 ARG A 22 -10.027 -12.278 -3.040 1.00 0.45 H new ATOM 0 HB3 ARG A 22 -10.489 -13.515 -1.888 1.00 0.45 H new ATOM 0 HG2 ARG A 22 -11.787 -11.404 -0.789 1.00 4.35 H new ATOM 0 HG3 ARG A 22 -11.763 -10.876 -2.460 1.00 4.35 H new ATOM 0 HD2 ARG A 22 -12.554 -13.721 -1.936 1.00 3.42 H new ATOM 0 HD3 ARG A 22 -13.693 -12.476 -1.464 1.00 3.42 H new ATOM 0 HE ARG A 22 -12.660 -12.157 -4.193 1.00 71.51 H new ATOM 0 HH11 ARG A 22 -15.107 -13.627 -2.116 1.00 11.22 H new ATOM 0 HH12 ARG A 22 -16.271 -13.823 -3.431 1.00 11.22 H new ATOM 0 HH21 ARG A 22 -14.161 -12.410 -5.877 1.00 60.10 H new ATOM 0 HH22 ARG A 22 -15.738 -13.137 -5.551 1.00 60.10 H new ATOM 346 N PRO A 23 -9.156 -13.877 0.431 1.00 50.01 N ATOM 347 CA PRO A 23 -8.555 -15.052 1.070 1.00 2.02 C ATOM 348 C PRO A 23 -8.392 -16.218 0.103 1.00 22.40 C ATOM 349 O PRO A 23 -7.308 -16.786 -0.024 1.00 23.13 O ATOM 350 CB PRO A 23 -9.556 -15.407 2.173 1.00 62.13 C ATOM 351 CG PRO A 23 -10.857 -14.863 1.693 1.00 61.43 C ATOM 352 CD PRO A 23 -10.525 -13.621 0.912 1.00 20.22 C ATOM 0 HA PRO A 23 -7.550 -14.846 1.438 1.00 2.02 H new ATOM 0 HB2 PRO A 23 -9.610 -16.485 2.327 1.00 62.13 H new ATOM 0 HB3 PRO A 23 -9.269 -14.963 3.126 1.00 62.13 H new ATOM 0 HG2 PRO A 23 -11.377 -15.589 1.068 1.00 61.43 H new ATOM 0 HG3 PRO A 23 -11.516 -14.633 2.530 1.00 61.43 H new ATOM 0 HD2 PRO A 23 -11.219 -13.468 0.086 1.00 20.22 H new ATOM 0 HD3 PRO A 23 -10.571 -12.729 1.537 1.00 20.22 H new ATOM 360 N GLY A 24 -9.477 -16.571 -0.580 1.00 63.43 N ATOM 361 CA GLY A 24 -9.432 -17.670 -1.528 1.00 51.23 C ATOM 362 C GLY A 24 -9.710 -17.220 -2.948 1.00 50.04 C ATOM 363 O GLY A 24 -10.253 -17.978 -3.752 1.00 42.14 O ATOM 0 H GLY A 24 -10.386 -16.116 -0.494 1.00 63.43 H new ATOM 0 HA2 GLY A 24 -8.451 -18.143 -1.485 1.00 51.23 H new ATOM 0 HA3 GLY A 24 -10.163 -18.425 -1.239 1.00 51.23 H new ATOM 367 N GLY A 25 -9.338 -15.982 -3.260 1.00 54.32 N ATOM 368 CA GLY A 25 -9.561 -15.453 -4.593 1.00 21.41 C ATOM 369 C GLY A 25 -8.288 -15.397 -5.414 1.00 53.01 C ATOM 370 O GLY A 25 -7.277 -15.997 -5.048 1.00 12.41 O ATOM 0 H GLY A 25 -8.886 -15.336 -2.613 1.00 54.32 H new ATOM 0 HA2 GLY A 25 -10.295 -16.072 -5.108 1.00 21.41 H new ATOM 0 HA3 GLY A 25 -9.985 -14.452 -4.517 1.00 21.41 H new ATOM 374 N LYS A 26 -8.338 -14.678 -6.530 1.00 5.01 N ATOM 375 CA LYS A 26 -7.180 -14.545 -7.407 1.00 74.33 C ATOM 376 C LYS A 26 -6.805 -13.079 -7.595 1.00 53.52 C ATOM 377 O LYS A 26 -5.865 -12.756 -8.322 1.00 2.53 O ATOM 378 CB LYS A 26 -7.468 -15.187 -8.766 1.00 74.13 C ATOM 379 CG LYS A 26 -6.216 -15.571 -9.535 1.00 61.53 C ATOM 380 CD LYS A 26 -6.154 -14.874 -10.884 1.00 60.32 C ATOM 381 CE LYS A 26 -5.393 -15.705 -11.906 1.00 4.33 C ATOM 382 NZ LYS A 26 -5.549 -15.165 -13.285 1.00 23.44 N ATOM 0 H LYS A 26 -9.168 -14.178 -6.849 1.00 5.01 H new ATOM 0 HA LYS A 26 -6.340 -15.059 -6.939 1.00 74.33 H new ATOM 0 HB2 LYS A 26 -8.079 -16.077 -8.616 1.00 74.13 H new ATOM 0 HB3 LYS A 26 -8.056 -14.494 -9.368 1.00 74.13 H new ATOM 0 HG2 LYS A 26 -5.334 -15.311 -8.949 1.00 61.53 H new ATOM 0 HG3 LYS A 26 -6.195 -16.651 -9.681 1.00 61.53 H new ATOM 0 HD2 LYS A 26 -7.165 -14.688 -11.245 1.00 60.32 H new ATOM 0 HD3 LYS A 26 -5.672 -13.903 -10.771 1.00 60.32 H new ATOM 0 HE2 LYS A 26 -4.336 -15.727 -11.642 1.00 4.33 H new ATOM 0 HE3 LYS A 26 -5.750 -16.734 -11.876 1.00 4.33 H new ATOM 0 HZ1 LYS A 26 -5.016 -15.758 -13.952 1.00 23.44 H new ATOM 0 HZ2 LYS A 26 -6.555 -15.167 -13.547 1.00 23.44 H new ATOM 0 HZ3 LYS A 26 -5.185 -14.192 -13.320 1.00 23.44 H new ATOM 396 N LYS A 27 -7.545 -12.194 -6.935 1.00 43.31 N ATOM 397 CA LYS A 27 -7.290 -10.762 -7.027 1.00 44.01 C ATOM 398 C LYS A 27 -6.110 -10.362 -6.146 1.00 34.11 C ATOM 399 O LYS A 27 -5.873 -10.967 -5.100 1.00 51.33 O ATOM 400 CB LYS A 27 -8.536 -9.972 -6.619 1.00 22.35 C ATOM 401 CG LYS A 27 -9.596 -9.905 -7.704 1.00 64.23 C ATOM 402 CD LYS A 27 -10.299 -8.558 -7.714 1.00 22.20 C ATOM 403 CE LYS A 27 -11.793 -8.709 -7.470 1.00 3.41 C ATOM 404 NZ LYS A 27 -12.588 -7.765 -8.304 1.00 1.40 N ATOM 0 H LYS A 27 -8.327 -12.444 -6.330 1.00 43.31 H new ATOM 0 HA LYS A 27 -7.044 -10.529 -8.063 1.00 44.01 H new ATOM 0 HB2 LYS A 27 -8.969 -10.427 -5.728 1.00 22.35 H new ATOM 0 HB3 LYS A 27 -8.241 -8.958 -6.348 1.00 22.35 H new ATOM 0 HG2 LYS A 27 -9.135 -10.083 -8.676 1.00 64.23 H new ATOM 0 HG3 LYS A 27 -10.328 -10.697 -7.548 1.00 64.23 H new ATOM 0 HD2 LYS A 27 -9.867 -7.915 -6.947 1.00 22.20 H new ATOM 0 HD3 LYS A 27 -10.133 -8.067 -8.673 1.00 22.20 H new ATOM 0 HE2 LYS A 27 -12.096 -9.733 -7.691 1.00 3.41 H new ATOM 0 HE3 LYS A 27 -12.009 -8.533 -6.416 1.00 3.41 H new ATOM 0 HZ1 LYS A 27 -13.601 -7.898 -8.109 1.00 1.40 H new ATOM 0 HZ2 LYS A 27 -12.317 -6.787 -8.075 1.00 1.40 H new ATOM 0 HZ3 LYS A 27 -12.402 -7.949 -9.310 1.00 1.40 H new ATOM 418 N GLN A 28 -5.376 -9.340 -6.574 1.00 13.22 N ATOM 419 CA GLN A 28 -4.223 -8.860 -5.822 1.00 12.50 C ATOM 420 C GLN A 28 -4.226 -7.337 -5.734 1.00 32.34 C ATOM 421 O GLN A 28 -5.176 -6.682 -6.162 1.00 54.10 O ATOM 422 CB GLN A 28 -2.926 -9.341 -6.475 1.00 73.10 C ATOM 423 CG GLN A 28 -2.910 -9.183 -7.987 1.00 5.41 C ATOM 424 CD GLN A 28 -2.815 -7.732 -8.420 1.00 11.02 C ATOM 425 OE1 GLN A 28 -1.722 -7.179 -8.541 1.00 34.14 O ATOM 426 NE2 GLN A 28 -3.964 -7.109 -8.656 1.00 20.15 N ATOM 0 H GLN A 28 -5.559 -8.829 -7.437 1.00 13.22 H new ATOM 0 HA GLN A 28 -4.286 -9.265 -4.812 1.00 12.50 H new ATOM 0 HB2 GLN A 28 -2.089 -8.787 -6.051 1.00 73.10 H new ATOM 0 HB3 GLN A 28 -2.772 -10.391 -6.226 1.00 73.10 H new ATOM 0 HG2 GLN A 28 -2.066 -9.737 -8.398 1.00 5.41 H new ATOM 0 HG3 GLN A 28 -3.815 -9.625 -8.405 1.00 5.41 H new ATOM 0 HE21 GLN A 28 -4.847 -7.607 -8.543 1.00 20.15 H new ATOM 0 HE22 GLN A 28 -3.964 -6.132 -8.951 1.00 20.15 H new ATOM 435 N TYR A 29 -3.158 -6.780 -5.174 1.00 73.25 N ATOM 436 CA TYR A 29 -3.039 -5.334 -5.026 1.00 73.25 C ATOM 437 C TYR A 29 -2.271 -4.728 -6.198 1.00 31.44 C ATOM 438 O TYR A 29 -1.361 -5.349 -6.748 1.00 34.32 O ATOM 439 CB TYR A 29 -2.338 -4.990 -3.711 1.00 35.41 C ATOM 440 CG TYR A 29 -3.240 -5.091 -2.502 1.00 20.03 C ATOM 441 CD1 TYR A 29 -4.088 -4.046 -2.155 1.00 71.22 C ATOM 442 CD2 TYR A 29 -3.242 -6.228 -1.704 1.00 60.30 C ATOM 443 CE1 TYR A 29 -4.913 -4.132 -1.050 1.00 72.13 C ATOM 444 CE2 TYR A 29 -4.065 -6.324 -0.598 1.00 5.31 C ATOM 445 CZ TYR A 29 -4.898 -5.273 -0.275 1.00 4.20 C ATOM 446 OH TYR A 29 -5.718 -5.364 0.826 1.00 42.20 O ATOM 0 H TYR A 29 -2.362 -7.308 -4.815 1.00 73.25 H new ATOM 0 HA TYR A 29 -4.044 -4.912 -5.015 1.00 73.25 H new ATOM 0 HB2 TYR A 29 -1.487 -5.658 -3.576 1.00 35.41 H new ATOM 0 HB3 TYR A 29 -1.941 -3.977 -3.774 1.00 35.41 H new ATOM 0 HD1 TYR A 29 -4.102 -3.151 -2.760 1.00 71.22 H new ATOM 0 HD2 TYR A 29 -2.589 -7.052 -1.952 1.00 60.30 H new ATOM 0 HE1 TYR A 29 -5.566 -3.311 -0.795 1.00 72.13 H new ATOM 0 HE2 TYR A 29 -4.056 -7.217 0.010 1.00 5.31 H new ATOM 0 HH TYR A 29 -6.034 -6.286 0.923 1.00 42.20 H new ATOM 456 N LYS A 30 -2.645 -3.510 -6.574 1.00 63.53 N ATOM 457 CA LYS A 30 -1.993 -2.817 -7.678 1.00 42.34 C ATOM 458 C LYS A 30 -1.844 -1.329 -7.375 1.00 31.11 C ATOM 459 O LYS A 30 -2.379 -0.831 -6.384 1.00 54.45 O ATOM 460 CB LYS A 30 -2.791 -3.006 -8.971 1.00 30.13 C ATOM 461 CG LYS A 30 -2.119 -3.931 -9.971 1.00 63.30 C ATOM 462 CD LYS A 30 -1.819 -3.215 -11.277 1.00 44.13 C ATOM 463 CE LYS A 30 -3.089 -2.939 -12.067 1.00 23.24 C ATOM 464 NZ LYS A 30 -3.152 -3.746 -13.316 1.00 45.12 N ATOM 0 H LYS A 30 -3.397 -2.982 -6.130 1.00 63.53 H new ATOM 0 HA LYS A 30 -0.999 -3.246 -7.805 1.00 42.34 H new ATOM 0 HB2 LYS A 30 -3.776 -3.404 -8.725 1.00 30.13 H new ATOM 0 HB3 LYS A 30 -2.948 -2.033 -9.437 1.00 30.13 H new ATOM 0 HG2 LYS A 30 -1.193 -4.317 -9.546 1.00 63.30 H new ATOM 0 HG3 LYS A 30 -2.763 -4.789 -10.165 1.00 63.30 H new ATOM 0 HD2 LYS A 30 -1.308 -2.275 -11.069 1.00 44.13 H new ATOM 0 HD3 LYS A 30 -1.140 -3.821 -11.877 1.00 44.13 H new ATOM 0 HE2 LYS A 30 -3.958 -3.161 -11.447 1.00 23.24 H new ATOM 0 HE3 LYS A 30 -3.138 -1.879 -12.317 1.00 23.24 H new ATOM 0 HZ1 LYS A 30 -4.032 -3.529 -13.826 1.00 45.12 H new ATOM 0 HZ2 LYS A 30 -2.337 -3.516 -13.919 1.00 45.12 H new ATOM 0 HZ3 LYS A 30 -3.131 -4.758 -13.077 1.00 45.12 H new ATOM 478 N LEU A 31 -1.115 -0.625 -8.234 1.00 22.15 N ATOM 479 CA LEU A 31 -0.896 0.807 -8.058 1.00 12.12 C ATOM 480 C LEU A 31 -2.213 1.529 -7.790 1.00 53.31 C ATOM 481 O LEU A 31 -2.252 2.524 -7.066 1.00 35.34 O ATOM 482 CB LEU A 31 -0.221 1.396 -9.298 1.00 10.25 C ATOM 483 CG LEU A 31 1.103 2.123 -9.059 1.00 12.34 C ATOM 484 CD1 LEU A 31 0.893 3.329 -8.157 1.00 5.23 C ATOM 485 CD2 LEU A 31 2.130 1.177 -8.457 1.00 21.41 C ATOM 0 H LEU A 31 -0.666 -1.022 -9.059 1.00 22.15 H new ATOM 0 HA LEU A 31 -0.243 0.947 -7.196 1.00 12.12 H new ATOM 0 HB2 LEU A 31 -0.046 0.589 -10.010 1.00 10.25 H new ATOM 0 HB3 LEU A 31 -0.915 2.092 -9.769 1.00 10.25 H new ATOM 0 HG LEU A 31 1.482 2.474 -10.019 1.00 12.34 H new ATOM 0 HD11 LEU A 31 1.846 3.834 -7.998 1.00 5.23 H new ATOM 0 HD12 LEU A 31 0.191 4.018 -8.628 1.00 5.23 H new ATOM 0 HD13 LEU A 31 0.492 3.001 -7.198 1.00 5.23 H new ATOM 0 HD21 LEU A 31 3.066 1.712 -8.294 1.00 21.41 H new ATOM 0 HD22 LEU A 31 1.760 0.795 -7.506 1.00 21.41 H new ATOM 0 HD23 LEU A 31 2.302 0.345 -9.139 1.00 21.41 H new ATOM 497 N LYS A 32 -3.291 1.021 -8.378 1.00 60.11 N ATOM 498 CA LYS A 32 -4.611 1.615 -8.201 1.00 63.24 C ATOM 499 C LYS A 32 -4.877 1.920 -6.731 1.00 51.53 C ATOM 500 O LYS A 32 -5.434 2.967 -6.395 1.00 52.24 O ATOM 501 CB LYS A 32 -5.692 0.676 -8.742 1.00 30.51 C ATOM 502 CG LYS A 32 -5.843 0.727 -10.252 1.00 24.13 C ATOM 503 CD LYS A 32 -7.216 0.248 -10.692 1.00 1.21 C ATOM 504 CE LYS A 32 -7.170 -1.184 -11.201 1.00 34.41 C ATOM 505 NZ LYS A 32 -7.062 -1.242 -12.685 1.00 13.40 N ATOM 0 H LYS A 32 -3.276 0.199 -8.982 1.00 60.11 H new ATOM 0 HA LYS A 32 -4.639 2.551 -8.759 1.00 63.24 H new ATOM 0 HB2 LYS A 32 -5.457 -0.345 -8.443 1.00 30.51 H new ATOM 0 HB3 LYS A 32 -6.646 0.931 -8.281 1.00 30.51 H new ATOM 0 HG2 LYS A 32 -5.684 1.748 -10.600 1.00 24.13 H new ATOM 0 HG3 LYS A 32 -5.075 0.109 -10.716 1.00 24.13 H new ATOM 0 HD2 LYS A 32 -7.911 0.316 -9.855 1.00 1.21 H new ATOM 0 HD3 LYS A 32 -7.597 0.902 -11.477 1.00 1.21 H new ATOM 0 HE2 LYS A 32 -6.321 -1.701 -10.755 1.00 34.41 H new ATOM 0 HE3 LYS A 32 -8.068 -1.712 -10.881 1.00 34.41 H new ATOM 0 HZ1 LYS A 32 -7.033 -2.235 -12.992 1.00 13.40 H new ATOM 0 HZ2 LYS A 32 -7.885 -0.771 -13.112 1.00 13.40 H new ATOM 0 HZ3 LYS A 32 -6.192 -0.760 -12.989 1.00 13.40 H new ATOM 519 N HIS A 33 -4.475 1.003 -5.857 1.00 70.24 N ATOM 520 CA HIS A 33 -4.669 1.176 -4.422 1.00 64.32 C ATOM 521 C HIS A 33 -3.616 2.117 -3.842 1.00 73.03 C ATOM 522 O HIS A 33 -4.002 2.979 -3.052 1.00 31.34 O ATOM 523 CB HIS A 33 -4.607 -0.176 -3.710 1.00 31.31 C ATOM 524 CG HIS A 33 -5.426 -1.239 -4.374 1.00 73.43 C ATOM 525 ND1 HIS A 33 -4.873 -2.346 -4.984 1.00 14.15 N ATOM 526 CD2 HIS A 33 -6.766 -1.362 -4.524 1.00 34.24 C ATOM 527 CE1 HIS A 33 -5.837 -3.102 -5.478 1.00 34.13 C ATOM 528 NE2 HIS A 33 -6.996 -2.527 -5.211 1.00 24.10 N ATOM 0 H HIS A 33 -4.013 0.132 -6.118 1.00 70.24 H new ATOM 0 HA HIS A 33 -5.653 1.617 -4.264 1.00 64.32 H new ATOM 0 HB2 HIS A 33 -3.569 -0.505 -3.662 1.00 31.31 H new ATOM 0 HB3 HIS A 33 -4.950 -0.053 -2.683 1.00 31.31 H new ATOM 0 HD2 HIS A 33 -7.516 -0.671 -4.168 1.00 34.24 H new ATOM 0 HE1 HIS A 33 -5.701 -4.032 -6.010 1.00 34.13 H new ATOM 0 HE2 HIS A 33 -7.913 -2.890 -5.473 1.00 24.10 H new ATOM 536 N ILE A 34 -2.343 1.980 -4.201 1.00 33.24 N ATOM 537 CA ILE A 34 -1.304 2.855 -3.673 1.00 53.43 C ATOM 538 C ILE A 34 -1.642 4.322 -3.923 1.00 31.13 C ATOM 539 O ILE A 34 -1.317 5.192 -3.114 1.00 64.41 O ATOM 540 CB ILE A 34 0.067 2.543 -4.301 1.00 53.45 C ATOM 541 CG1 ILE A 34 0.509 1.125 -3.934 1.00 54.52 C ATOM 542 CG2 ILE A 34 1.102 3.561 -3.846 1.00 44.34 C ATOM 543 CD1 ILE A 34 1.509 0.534 -4.903 1.00 22.31 C ATOM 0 H ILE A 34 -2.007 1.272 -4.854 1.00 33.24 H new ATOM 0 HA ILE A 34 -1.253 2.673 -2.599 1.00 53.43 H new ATOM 0 HB ILE A 34 -0.023 2.606 -5.385 1.00 53.45 H new ATOM 0 HG12 ILE A 34 0.946 1.136 -2.935 1.00 54.52 H new ATOM 0 HG13 ILE A 34 -0.368 0.479 -3.891 1.00 54.52 H new ATOM 0 HG21 ILE A 34 2.066 3.327 -4.298 1.00 44.34 H new ATOM 0 HG22 ILE A 34 0.790 4.559 -4.153 1.00 44.34 H new ATOM 0 HG23 ILE A 34 1.193 3.527 -2.760 1.00 44.34 H new ATOM 0 HD11 ILE A 34 1.777 -0.472 -4.580 1.00 22.31 H new ATOM 0 HD12 ILE A 34 1.068 0.490 -5.899 1.00 22.31 H new ATOM 0 HD13 ILE A 34 2.403 1.157 -4.929 1.00 22.31 H new ATOM 555 N VAL A 35 -2.300 4.589 -5.047 1.00 4.12 N ATOM 556 CA VAL A 35 -2.685 5.950 -5.401 1.00 20.34 C ATOM 557 C VAL A 35 -3.974 6.357 -4.697 1.00 13.13 C ATOM 558 O VAL A 35 -4.035 7.402 -4.048 1.00 51.54 O ATOM 559 CB VAL A 35 -2.874 6.101 -6.922 1.00 71.04 C ATOM 560 CG1 VAL A 35 -3.418 7.481 -7.258 1.00 1.52 C ATOM 561 CG2 VAL A 35 -1.564 5.844 -7.650 1.00 20.12 C ATOM 0 H VAL A 35 -2.577 3.881 -5.727 1.00 4.12 H new ATOM 0 HA VAL A 35 -1.875 6.603 -5.076 1.00 20.34 H new ATOM 0 HB VAL A 35 -3.600 5.359 -7.255 1.00 71.04 H new ATOM 0 HG11 VAL A 35 -3.545 7.569 -8.337 1.00 1.52 H new ATOM 0 HG12 VAL A 35 -4.381 7.622 -6.767 1.00 1.52 H new ATOM 0 HG13 VAL A 35 -2.719 8.242 -6.912 1.00 1.52 H new ATOM 0 HG21 VAL A 35 -1.716 5.955 -8.724 1.00 20.12 H new ATOM 0 HG22 VAL A 35 -0.814 6.560 -7.314 1.00 20.12 H new ATOM 0 HG23 VAL A 35 -1.221 4.832 -7.435 1.00 20.12 H new ATOM 571 N TRP A 36 -5.001 5.525 -4.828 1.00 2.32 N ATOM 572 CA TRP A 36 -6.290 5.800 -4.202 1.00 73.41 C ATOM 573 C TRP A 36 -6.138 5.981 -2.696 1.00 24.04 C ATOM 574 O TRP A 36 -6.796 6.828 -2.094 1.00 32.01 O ATOM 575 CB TRP A 36 -7.273 4.664 -4.494 1.00 43.32 C ATOM 576 CG TRP A 36 -8.550 4.769 -3.717 1.00 1.31 C ATOM 577 CD1 TRP A 36 -9.708 5.372 -4.120 1.00 21.22 C ATOM 578 CD2 TRP A 36 -8.797 4.259 -2.402 1.00 75.32 C ATOM 579 NE1 TRP A 36 -10.660 5.267 -3.135 1.00 12.02 N ATOM 580 CE2 TRP A 36 -10.127 4.588 -2.071 1.00 61.23 C ATOM 581 CE3 TRP A 36 -8.027 3.555 -1.474 1.00 24.24 C ATOM 582 CZ2 TRP A 36 -10.698 4.237 -0.851 1.00 13.12 C ATOM 583 CZ3 TRP A 36 -8.595 3.207 -0.263 1.00 13.24 C ATOM 584 CH2 TRP A 36 -9.920 3.547 0.040 1.00 52.54 C ATOM 0 H TRP A 36 -4.967 4.656 -5.361 1.00 2.32 H new ATOM 0 HA TRP A 36 -6.679 6.727 -4.622 1.00 73.41 H new ATOM 0 HB2 TRP A 36 -7.504 4.658 -5.559 1.00 43.32 H new ATOM 0 HB3 TRP A 36 -6.795 3.712 -4.266 1.00 43.32 H new ATOM 0 HD1 TRP A 36 -9.854 5.859 -5.073 1.00 21.22 H new ATOM 0 HE1 TRP A 36 -11.610 5.635 -3.187 1.00 12.02 H new ATOM 0 HE3 TRP A 36 -7.005 3.287 -1.699 1.00 24.24 H new ATOM 0 HZ2 TRP A 36 -11.719 4.500 -0.615 1.00 13.12 H new ATOM 0 HZ3 TRP A 36 -8.007 2.664 0.462 1.00 13.24 H new ATOM 0 HH2 TRP A 36 -10.336 3.259 0.994 1.00 52.54 H new ATOM 595 N ALA A 37 -5.264 5.181 -2.093 1.00 73.43 N ATOM 596 CA ALA A 37 -5.023 5.255 -0.658 1.00 50.24 C ATOM 597 C ALA A 37 -4.369 6.579 -0.279 1.00 14.21 C ATOM 598 O ALA A 37 -4.870 7.306 0.579 1.00 11.40 O ATOM 599 CB ALA A 37 -4.158 4.088 -0.206 1.00 43.23 C ATOM 0 H ALA A 37 -4.711 4.474 -2.577 1.00 73.43 H new ATOM 0 HA ALA A 37 -5.986 5.197 -0.150 1.00 50.24 H new ATOM 0 HB1 ALA A 37 -3.986 4.157 0.868 1.00 43.23 H new ATOM 0 HB2 ALA A 37 -4.665 3.150 -0.433 1.00 43.23 H new ATOM 0 HB3 ALA A 37 -3.202 4.120 -0.729 1.00 43.23 H new ATOM 605 N SER A 38 -3.248 6.886 -0.924 1.00 23.54 N ATOM 606 CA SER A 38 -2.523 8.121 -0.651 1.00 12.44 C ATOM 607 C SER A 38 -3.437 9.333 -0.804 1.00 34.42 C ATOM 608 O SER A 38 -3.227 10.367 -0.169 1.00 50.44 O ATOM 609 CB SER A 38 -1.323 8.251 -1.590 1.00 2.22 C ATOM 610 OG SER A 38 -0.132 7.814 -0.960 1.00 24.21 O ATOM 0 H SER A 38 -2.822 6.296 -1.639 1.00 23.54 H new ATOM 0 HA SER A 38 -2.167 8.084 0.379 1.00 12.44 H new ATOM 0 HB2 SER A 38 -1.498 7.664 -2.492 1.00 2.22 H new ATOM 0 HB3 SER A 38 -1.213 9.289 -1.902 1.00 2.22 H new ATOM 0 HG SER A 38 0.620 7.906 -1.582 1.00 24.21 H new ATOM 616 N ARG A 39 -4.452 9.197 -1.650 1.00 75.42 N ATOM 617 CA ARG A 39 -5.399 10.280 -1.889 1.00 0.24 C ATOM 618 C ARG A 39 -6.516 10.265 -0.850 1.00 34.34 C ATOM 619 O ARG A 39 -6.857 11.299 -0.277 1.00 24.12 O ATOM 620 CB ARG A 39 -5.993 10.167 -3.294 1.00 31.43 C ATOM 621 CG ARG A 39 -5.087 10.716 -4.385 1.00 71.20 C ATOM 622 CD ARG A 39 -5.571 10.308 -5.767 1.00 55.15 C ATOM 623 NE ARG A 39 -6.890 10.858 -6.070 1.00 53.31 N ATOM 624 CZ ARG A 39 -7.394 10.928 -7.297 1.00 24.02 C ATOM 625 NH1 ARG A 39 -6.692 10.485 -8.332 1.00 11.03 N ATOM 626 NH2 ARG A 39 -8.601 11.441 -7.491 1.00 53.33 N ATOM 0 H ARG A 39 -4.640 8.347 -2.182 1.00 75.42 H new ATOM 0 HA ARG A 39 -4.861 11.224 -1.805 1.00 0.24 H new ATOM 0 HB2 ARG A 39 -6.208 9.119 -3.505 1.00 31.43 H new ATOM 0 HB3 ARG A 39 -6.944 10.699 -3.321 1.00 31.43 H new ATOM 0 HG2 ARG A 39 -5.051 11.803 -4.317 1.00 71.20 H new ATOM 0 HG3 ARG A 39 -4.071 10.353 -4.232 1.00 71.20 H new ATOM 0 HD2 ARG A 39 -4.856 10.648 -6.516 1.00 55.15 H new ATOM 0 HD3 ARG A 39 -5.608 9.221 -5.832 1.00 55.15 H new ATOM 0 HE ARG A 39 -7.455 11.208 -5.296 1.00 53.31 H new ATOM 0 HH11 ARG A 39 -5.763 10.090 -8.186 1.00 11.03 H new ATOM 0 HH12 ARG A 39 -7.081 10.540 -9.273 1.00 11.03 H new ATOM 0 HH21 ARG A 39 -9.144 11.782 -6.698 1.00 53.33 H new ATOM 0 HH22 ARG A 39 -8.987 11.494 -8.434 1.00 53.33 H new ATOM 640 N GLU A 40 -7.082 9.086 -0.614 1.00 21.54 N ATOM 641 CA GLU A 40 -8.162 8.937 0.355 1.00 65.13 C ATOM 642 C GLU A 40 -7.756 9.505 1.712 1.00 31.14 C ATOM 643 O GLU A 40 -8.503 10.269 2.325 1.00 14.14 O ATOM 644 CB GLU A 40 -8.546 7.463 0.501 1.00 13.24 C ATOM 645 CG GLU A 40 -10.024 7.244 0.778 1.00 22.12 C ATOM 646 CD GLU A 40 -10.914 7.886 -0.267 1.00 54.15 C ATOM 647 OE1 GLU A 40 -11.194 7.229 -1.291 1.00 61.42 O ATOM 648 OE2 GLU A 40 -11.332 9.045 -0.061 1.00 71.40 O ATOM 0 H GLU A 40 -6.811 8.220 -1.080 1.00 21.54 H new ATOM 0 HA GLU A 40 -9.024 9.495 -0.010 1.00 65.13 H new ATOM 0 HB2 GLU A 40 -8.274 6.933 -0.412 1.00 13.24 H new ATOM 0 HB3 GLU A 40 -7.964 7.023 1.311 1.00 13.24 H new ATOM 0 HG2 GLU A 40 -10.228 6.174 0.816 1.00 22.12 H new ATOM 0 HG3 GLU A 40 -10.270 7.650 1.759 1.00 22.12 H new ATOM 655 N LEU A 41 -6.570 9.127 2.175 1.00 63.21 N ATOM 656 CA LEU A 41 -6.065 9.598 3.460 1.00 42.12 C ATOM 657 C LEU A 41 -6.140 11.119 3.550 1.00 11.35 C ATOM 658 O LEU A 41 -6.472 11.672 4.598 1.00 72.14 O ATOM 659 CB LEU A 41 -4.621 9.135 3.663 1.00 71.41 C ATOM 660 CG LEU A 41 -4.424 7.637 3.896 1.00 22.53 C ATOM 661 CD1 LEU A 41 -2.978 7.242 3.638 1.00 2.31 C ATOM 662 CD2 LEU A 41 -4.837 7.259 5.312 1.00 63.15 C ATOM 0 H LEU A 41 -5.940 8.496 1.680 1.00 63.21 H new ATOM 0 HA LEU A 41 -6.690 9.174 4.246 1.00 42.12 H new ATOM 0 HB2 LEU A 41 -4.041 9.426 2.787 1.00 71.41 H new ATOM 0 HB3 LEU A 41 -4.204 9.673 4.515 1.00 71.41 H new ATOM 0 HG LEU A 41 -5.058 7.093 3.196 1.00 22.53 H new ATOM 0 HD11 LEU A 41 -2.857 6.172 3.809 1.00 2.31 H new ATOM 0 HD12 LEU A 41 -2.715 7.477 2.607 1.00 2.31 H new ATOM 0 HD13 LEU A 41 -2.324 7.794 4.313 1.00 2.31 H new ATOM 0 HD21 LEU A 41 -4.690 6.189 5.460 1.00 63.15 H new ATOM 0 HD22 LEU A 41 -4.229 7.812 6.028 1.00 63.15 H new ATOM 0 HD23 LEU A 41 -5.888 7.505 5.462 1.00 63.15 H new ATOM 674 N GLU A 42 -5.831 11.788 2.444 1.00 41.31 N ATOM 675 CA GLU A 42 -5.866 13.246 2.399 1.00 4.12 C ATOM 676 C GLU A 42 -7.251 13.769 2.771 1.00 22.42 C ATOM 677 O GLU A 42 -7.392 14.891 3.255 1.00 54.51 O ATOM 678 CB GLU A 42 -5.477 13.745 1.006 1.00 23.42 C ATOM 679 CG GLU A 42 -4.361 14.775 1.018 1.00 10.44 C ATOM 680 CD GLU A 42 -3.690 14.925 -0.333 1.00 74.31 C ATOM 681 OE1 GLU A 42 -3.495 13.896 -1.015 1.00 22.13 O ATOM 682 OE2 GLU A 42 -3.360 16.069 -0.710 1.00 15.34 O ATOM 0 H GLU A 42 -5.554 11.345 1.568 1.00 41.31 H new ATOM 0 HA GLU A 42 -5.147 13.624 3.126 1.00 4.12 H new ATOM 0 HB2 GLU A 42 -5.169 12.895 0.398 1.00 23.42 H new ATOM 0 HB3 GLU A 42 -6.355 14.178 0.526 1.00 23.42 H new ATOM 0 HG2 GLU A 42 -4.765 15.739 1.328 1.00 10.44 H new ATOM 0 HG3 GLU A 42 -3.615 14.489 1.760 1.00 10.44 H new ATOM 689 N ARG A 43 -8.269 12.947 2.539 1.00 22.13 N ATOM 690 CA ARG A 43 -9.642 13.326 2.847 1.00 1.33 C ATOM 691 C ARG A 43 -9.979 13.015 4.303 1.00 50.40 C ATOM 692 O ARG A 43 -10.866 13.632 4.891 1.00 12.44 O ATOM 693 CB ARG A 43 -10.616 12.595 1.921 1.00 61.14 C ATOM 694 CG ARG A 43 -11.348 13.516 0.959 1.00 72.31 C ATOM 695 CD ARG A 43 -12.833 13.193 0.900 1.00 71.54 C ATOM 696 NE ARG A 43 -13.546 13.673 2.081 1.00 51.22 N ATOM 697 CZ ARG A 43 -14.863 13.588 2.229 1.00 54.52 C ATOM 698 NH1 ARG A 43 -15.607 13.045 1.276 1.00 75.15 N ATOM 699 NH2 ARG A 43 -15.439 14.049 3.332 1.00 31.13 N ATOM 0 H ARG A 43 -8.169 12.014 2.139 1.00 22.13 H new ATOM 0 HA ARG A 43 -9.739 14.400 2.690 1.00 1.33 H new ATOM 0 HB2 ARG A 43 -10.068 11.847 1.348 1.00 61.14 H new ATOM 0 HB3 ARG A 43 -11.348 12.060 2.526 1.00 61.14 H new ATOM 0 HG2 ARG A 43 -11.212 14.552 1.270 1.00 72.31 H new ATOM 0 HG3 ARG A 43 -10.914 13.423 -0.037 1.00 72.31 H new ATOM 0 HD2 ARG A 43 -13.267 13.643 0.007 1.00 71.54 H new ATOM 0 HD3 ARG A 43 -12.966 12.115 0.810 1.00 71.54 H new ATOM 0 HE ARG A 43 -13.003 14.097 2.833 1.00 51.22 H new ATOM 0 HH11 ARG A 43 -15.168 12.691 0.426 1.00 75.15 H new ATOM 0 HH12 ARG A 43 -16.618 12.981 1.393 1.00 75.15 H new ATOM 0 HH21 ARG A 43 -14.870 14.469 4.067 1.00 31.13 H new ATOM 0 HH22 ARG A 43 -16.451 13.983 3.445 1.00 31.13 H new ATOM 713 N PHE A 44 -9.264 12.053 4.878 1.00 43.23 N ATOM 714 CA PHE A 44 -9.487 11.660 6.265 1.00 60.14 C ATOM 715 C PHE A 44 -8.544 12.409 7.201 1.00 22.32 C ATOM 716 O PHE A 44 -8.091 11.866 8.208 1.00 31.22 O ATOM 717 CB PHE A 44 -9.291 10.151 6.425 1.00 34.32 C ATOM 718 CG PHE A 44 -10.413 9.335 5.848 1.00 13.42 C ATOM 719 CD1 PHE A 44 -11.730 9.619 6.171 1.00 51.54 C ATOM 720 CD2 PHE A 44 -10.151 8.286 4.983 1.00 5.13 C ATOM 721 CE1 PHE A 44 -12.766 8.872 5.640 1.00 22.13 C ATOM 722 CE2 PHE A 44 -11.181 7.535 4.450 1.00 30.11 C ATOM 723 CZ PHE A 44 -12.489 7.827 4.779 1.00 12.53 C ATOM 0 H PHE A 44 -8.526 11.532 4.405 1.00 43.23 H new ATOM 0 HA PHE A 44 -10.512 11.917 6.530 1.00 60.14 H new ATOM 0 HB2 PHE A 44 -8.357 9.861 5.944 1.00 34.32 H new ATOM 0 HB3 PHE A 44 -9.190 9.916 7.485 1.00 34.32 H new ATOM 0 HD1 PHE A 44 -11.950 10.433 6.845 1.00 51.54 H new ATOM 0 HD2 PHE A 44 -9.129 8.052 4.722 1.00 5.13 H new ATOM 0 HE1 PHE A 44 -13.789 9.105 5.898 1.00 22.13 H new ATOM 0 HE2 PHE A 44 -10.963 6.720 3.776 1.00 30.11 H new ATOM 0 HZ PHE A 44 -13.295 7.240 4.364 1.00 12.53 H new ATOM 733 N ALA A 45 -8.253 13.660 6.861 1.00 12.32 N ATOM 734 CA ALA A 45 -7.366 14.485 7.672 1.00 42.52 C ATOM 735 C ALA A 45 -6.081 13.739 8.014 1.00 73.44 C ATOM 736 O ALA A 45 -5.420 14.041 9.007 1.00 72.14 O ATOM 737 CB ALA A 45 -8.073 14.930 8.943 1.00 55.23 C ATOM 0 H ALA A 45 -8.618 14.124 6.030 1.00 12.32 H new ATOM 0 HA ALA A 45 -7.099 15.367 7.090 1.00 42.52 H new ATOM 0 HB1 ALA A 45 -7.398 15.545 9.538 1.00 55.23 H new ATOM 0 HB2 ALA A 45 -8.958 15.510 8.683 1.00 55.23 H new ATOM 0 HB3 ALA A 45 -8.370 14.054 9.520 1.00 55.23 H new ATOM 743 N VAL A 46 -5.733 12.760 7.184 1.00 3.12 N ATOM 744 CA VAL A 46 -4.526 11.970 7.398 1.00 33.34 C ATOM 745 C VAL A 46 -3.567 12.099 6.219 1.00 33.12 C ATOM 746 O VAL A 46 -3.942 11.857 5.072 1.00 21.24 O ATOM 747 CB VAL A 46 -4.861 10.481 7.612 1.00 43.11 C ATOM 748 CG1 VAL A 46 -3.587 9.662 7.753 1.00 40.22 C ATOM 749 CG2 VAL A 46 -5.754 10.306 8.831 1.00 50.23 C ATOM 0 H VAL A 46 -6.270 12.495 6.358 1.00 3.12 H new ATOM 0 HA VAL A 46 -4.047 12.361 8.296 1.00 33.34 H new ATOM 0 HB VAL A 46 -5.403 10.119 6.738 1.00 43.11 H new ATOM 0 HG11 VAL A 46 -3.843 8.613 7.903 1.00 40.22 H new ATOM 0 HG12 VAL A 46 -2.988 9.763 6.848 1.00 40.22 H new ATOM 0 HG13 VAL A 46 -3.016 10.022 8.609 1.00 40.22 H new ATOM 0 HG21 VAL A 46 -5.981 9.249 8.967 1.00 50.23 H new ATOM 0 HG22 VAL A 46 -5.241 10.684 9.715 1.00 50.23 H new ATOM 0 HG23 VAL A 46 -6.681 10.860 8.685 1.00 50.23 H new ATOM 759 N ASN A 47 -2.329 12.482 6.511 1.00 51.41 N ATOM 760 CA ASN A 47 -1.315 12.646 5.475 1.00 31.41 C ATOM 761 C ASN A 47 -0.886 11.292 4.917 1.00 35.53 C ATOM 762 O ASN A 47 -0.744 10.309 5.645 1.00 34.02 O ATOM 763 CB ASN A 47 -0.100 13.388 6.033 1.00 43.43 C ATOM 764 CG ASN A 47 -0.476 14.707 6.681 1.00 72.34 C ATOM 765 OD1 ASN A 47 -0.739 14.769 7.882 1.00 41.23 O ATOM 766 ND2 ASN A 47 -0.503 15.770 5.885 1.00 32.12 N ATOM 0 H ASN A 47 -2.003 12.685 7.456 1.00 51.41 H new ATOM 0 HA ASN A 47 -1.749 13.233 4.666 1.00 31.41 H new ATOM 0 HB2 ASN A 47 0.403 12.757 6.765 1.00 43.43 H new ATOM 0 HB3 ASN A 47 0.612 13.571 5.228 1.00 43.43 H new ATOM 0 HD21 ASN A 47 -0.749 16.685 6.264 1.00 32.12 H new ATOM 0 HD22 ASN A 47 -0.278 15.672 4.895 1.00 32.12 H new ATOM 773 N PRO A 48 -0.672 11.237 3.594 1.00 12.32 N ATOM 774 CA PRO A 48 -0.255 10.010 2.909 1.00 65.12 C ATOM 775 C PRO A 48 1.176 9.612 3.255 1.00 20.35 C ATOM 776 O PRO A 48 1.657 8.561 2.833 1.00 14.11 O ATOM 777 CB PRO A 48 -0.365 10.376 1.427 1.00 1.53 C ATOM 778 CG PRO A 48 -0.210 11.858 1.391 1.00 62.33 C ATOM 779 CD PRO A 48 -0.822 12.370 2.665 1.00 71.23 C ATOM 0 HA PRO A 48 -0.866 9.154 3.197 1.00 65.12 H new ATOM 0 HB2 PRO A 48 0.409 9.882 0.839 1.00 1.53 H new ATOM 0 HB3 PRO A 48 -1.325 10.068 1.013 1.00 1.53 H new ATOM 0 HG2 PRO A 48 0.841 12.139 1.323 1.00 62.33 H new ATOM 0 HG3 PRO A 48 -0.710 12.282 0.520 1.00 62.33 H new ATOM 0 HD2 PRO A 48 -0.307 13.259 3.029 1.00 71.23 H new ATOM 0 HD3 PRO A 48 -1.869 12.641 2.528 1.00 71.23 H new ATOM 787 N GLY A 49 1.851 10.459 4.026 1.00 20.44 N ATOM 788 CA GLY A 49 3.220 10.176 4.416 1.00 22.45 C ATOM 789 C GLY A 49 3.310 9.099 5.479 1.00 62.32 C ATOM 790 O GLY A 49 4.404 8.673 5.851 1.00 23.34 O ATOM 0 H GLY A 49 1.475 11.335 4.387 1.00 20.44 H new ATOM 0 HA2 GLY A 49 3.787 9.865 3.539 1.00 22.45 H new ATOM 0 HA3 GLY A 49 3.684 11.089 4.788 1.00 22.45 H new ATOM 794 N LEU A 50 2.158 8.658 5.971 1.00 74.14 N ATOM 795 CA LEU A 50 2.110 7.624 7.000 1.00 54.01 C ATOM 796 C LEU A 50 2.225 6.235 6.381 1.00 60.02 C ATOM 797 O LEU A 50 2.080 5.223 7.069 1.00 62.24 O ATOM 798 CB LEU A 50 0.811 7.733 7.800 1.00 65.04 C ATOM 799 CG LEU A 50 0.642 9.002 8.636 1.00 34.33 C ATOM 800 CD1 LEU A 50 -0.742 9.046 9.266 1.00 22.04 C ATOM 801 CD2 LEU A 50 1.720 9.082 9.707 1.00 22.11 C ATOM 0 H LEU A 50 1.244 9.000 5.674 1.00 74.14 H new ATOM 0 HA LEU A 50 2.956 7.774 7.671 1.00 54.01 H new ATOM 0 HB2 LEU A 50 -0.027 7.665 7.106 1.00 65.04 H new ATOM 0 HB3 LEU A 50 0.744 6.872 8.465 1.00 65.04 H new ATOM 0 HG LEU A 50 0.747 9.865 7.978 1.00 34.33 H new ATOM 0 HD11 LEU A 50 -0.844 9.956 9.857 1.00 22.04 H new ATOM 0 HD12 LEU A 50 -1.499 9.036 8.482 1.00 22.04 H new ATOM 0 HD13 LEU A 50 -0.876 8.178 9.911 1.00 22.04 H new ATOM 0 HD21 LEU A 50 1.584 9.991 10.292 1.00 22.11 H new ATOM 0 HD22 LEU A 50 1.647 8.214 10.362 1.00 22.11 H new ATOM 0 HD23 LEU A 50 2.702 9.098 9.234 1.00 22.11 H new ATOM 813 N LEU A 51 2.489 6.192 5.079 1.00 15.21 N ATOM 814 CA LEU A 51 2.626 4.926 4.368 1.00 54.24 C ATOM 815 C LEU A 51 4.095 4.557 4.192 1.00 41.00 C ATOM 816 O LEU A 51 4.419 3.455 3.749 1.00 2.33 O ATOM 817 CB LEU A 51 1.942 5.010 3.002 1.00 31.33 C ATOM 818 CG LEU A 51 0.466 5.411 3.013 1.00 15.05 C ATOM 819 CD1 LEU A 51 -0.090 5.441 1.598 1.00 11.43 C ATOM 820 CD2 LEU A 51 -0.339 4.457 3.884 1.00 72.54 C ATOM 0 H LEU A 51 2.612 7.019 4.495 1.00 15.21 H new ATOM 0 HA LEU A 51 2.144 4.149 4.962 1.00 54.24 H new ATOM 0 HB2 LEU A 51 2.488 5.727 2.388 1.00 31.33 H new ATOM 0 HB3 LEU A 51 2.030 4.040 2.514 1.00 31.33 H new ATOM 0 HG LEU A 51 0.385 6.413 3.434 1.00 15.05 H new ATOM 0 HD11 LEU A 51 -1.141 5.728 1.626 1.00 11.43 H new ATOM 0 HD12 LEU A 51 0.468 6.164 1.003 1.00 11.43 H new ATOM 0 HD13 LEU A 51 0.004 4.452 1.149 1.00 11.43 H new ATOM 0 HD21 LEU A 51 -1.387 4.757 3.880 1.00 72.54 H new ATOM 0 HD22 LEU A 51 -0.250 3.444 3.492 1.00 72.54 H new ATOM 0 HD23 LEU A 51 0.043 4.486 4.904 1.00 72.54 H new ATOM 832 N GLU A 52 4.980 5.485 4.543 1.00 55.32 N ATOM 833 CA GLU A 52 6.415 5.256 4.424 1.00 12.13 C ATOM 834 C GLU A 52 7.042 5.014 5.794 1.00 31.11 C ATOM 835 O GLU A 52 8.077 5.591 6.127 1.00 11.44 O ATOM 836 CB GLU A 52 7.090 6.450 3.745 1.00 11.05 C ATOM 837 CG GLU A 52 6.677 7.793 4.325 1.00 21.33 C ATOM 838 CD GLU A 52 7.536 8.935 3.818 1.00 11.31 C ATOM 839 OE1 GLU A 52 8.091 8.813 2.706 1.00 22.41 O ATOM 840 OE2 GLU A 52 7.652 9.952 4.534 1.00 43.45 O ATOM 0 H GLU A 52 4.728 6.402 4.912 1.00 55.32 H new ATOM 0 HA GLU A 52 6.566 4.367 3.812 1.00 12.13 H new ATOM 0 HB2 GLU A 52 8.171 6.343 3.832 1.00 11.05 H new ATOM 0 HB3 GLU A 52 6.853 6.434 2.681 1.00 11.05 H new ATOM 0 HG2 GLU A 52 5.634 7.988 4.074 1.00 21.33 H new ATOM 0 HG3 GLU A 52 6.740 7.750 5.412 1.00 21.33 H new ATOM 847 N THR A 53 6.406 4.155 6.585 1.00 5.24 N ATOM 848 CA THR A 53 6.899 3.837 7.919 1.00 22.23 C ATOM 849 C THR A 53 6.062 2.740 8.567 1.00 11.35 C ATOM 850 O THR A 53 4.856 2.896 8.755 1.00 20.41 O ATOM 851 CB THR A 53 6.894 5.078 8.831 1.00 25.23 C ATOM 852 OG1 THR A 53 6.774 4.679 10.202 1.00 63.34 O ATOM 853 CG2 THR A 53 5.750 6.012 8.467 1.00 21.14 C ATOM 0 H THR A 53 5.549 3.667 6.325 1.00 5.24 H new ATOM 0 HA THR A 53 7.924 3.487 7.802 1.00 22.23 H new ATOM 0 HB THR A 53 7.835 5.609 8.689 1.00 25.23 H new ATOM 0 HG1 THR A 53 6.773 5.474 10.775 1.00 63.34 H new ATOM 0 HG21 THR A 53 5.767 6.881 9.124 1.00 21.14 H new ATOM 0 HG22 THR A 53 5.861 6.337 7.433 1.00 21.14 H new ATOM 0 HG23 THR A 53 4.801 5.488 8.583 1.00 21.14 H new ATOM 861 N SER A 54 6.711 1.631 8.909 1.00 74.04 N ATOM 862 CA SER A 54 6.025 0.506 9.535 1.00 74.11 C ATOM 863 C SER A 54 5.251 0.961 10.769 1.00 75.54 C ATOM 864 O SER A 54 4.200 0.408 11.092 1.00 12.32 O ATOM 865 CB SER A 54 7.029 -0.582 9.919 1.00 2.53 C ATOM 866 OG SER A 54 8.312 -0.303 9.387 1.00 50.34 O ATOM 0 H SER A 54 7.710 1.488 8.763 1.00 74.04 H new ATOM 0 HA SER A 54 5.317 0.097 8.814 1.00 74.11 H new ATOM 0 HB2 SER A 54 7.091 -0.657 11.005 1.00 2.53 H new ATOM 0 HB3 SER A 54 6.682 -1.548 9.552 1.00 2.53 H new ATOM 0 HG SER A 54 8.936 -1.012 9.648 1.00 50.34 H new ATOM 872 N GLU A 55 5.780 1.969 11.453 1.00 43.34 N ATOM 873 CA GLU A 55 5.140 2.498 12.652 1.00 22.34 C ATOM 874 C GLU A 55 4.026 3.475 12.288 1.00 34.04 C ATOM 875 O GLU A 55 3.081 3.668 13.053 1.00 1.23 O ATOM 876 CB GLU A 55 6.171 3.191 13.544 1.00 33.44 C ATOM 877 CG GLU A 55 5.880 3.057 15.030 1.00 34.00 C ATOM 878 CD GLU A 55 5.686 4.398 15.710 1.00 11.52 C ATOM 879 OE1 GLU A 55 4.983 5.257 15.139 1.00 10.51 O ATOM 880 OE2 GLU A 55 6.238 4.587 16.814 1.00 3.41 O ATOM 0 H GLU A 55 6.650 2.436 11.198 1.00 43.34 H new ATOM 0 HA GLU A 55 4.702 1.662 13.198 1.00 22.34 H new ATOM 0 HB2 GLU A 55 7.157 2.774 13.337 1.00 33.44 H new ATOM 0 HB3 GLU A 55 6.211 4.249 13.284 1.00 33.44 H new ATOM 0 HG2 GLU A 55 4.984 2.451 15.168 1.00 34.00 H new ATOM 0 HG3 GLU A 55 6.701 2.526 15.511 1.00 34.00 H new ATOM 887 N GLY A 56 4.144 4.090 11.116 1.00 65.20 N ATOM 888 CA GLY A 56 3.143 5.041 10.671 1.00 75.53 C ATOM 889 C GLY A 56 1.848 4.367 10.257 1.00 45.03 C ATOM 890 O GLY A 56 0.761 4.848 10.578 1.00 21.42 O ATOM 0 H GLY A 56 4.916 3.946 10.466 1.00 65.20 H new ATOM 0 HA2 GLY A 56 2.940 5.752 11.472 1.00 75.53 H new ATOM 0 HA3 GLY A 56 3.537 5.612 9.830 1.00 75.53 H new ATOM 894 N CYS A 57 1.966 3.254 9.541 1.00 10.04 N ATOM 895 CA CYS A 57 0.795 2.515 9.080 1.00 3.40 C ATOM 896 C CYS A 57 -0.099 2.128 10.252 1.00 73.11 C ATOM 897 O CYS A 57 -1.264 2.521 10.313 1.00 50.20 O ATOM 898 CB CYS A 57 1.227 1.263 8.315 1.00 74.24 C ATOM 899 SG CYS A 57 1.082 1.408 6.519 1.00 12.41 S ATOM 0 H CYS A 57 2.859 2.844 9.267 1.00 10.04 H new ATOM 0 HA CYS A 57 0.226 3.162 8.412 1.00 3.40 H new ATOM 0 HB2 CYS A 57 2.263 1.035 8.568 1.00 74.24 H new ATOM 0 HB3 CYS A 57 0.624 0.419 8.650 1.00 74.24 H new ATOM 0 HG CYS A 57 2.249 1.670 6.009 1.00 12.41 H new ATOM 905 N ARG A 58 0.452 1.352 11.180 1.00 12.30 N ATOM 906 CA ARG A 58 -0.297 0.908 12.349 1.00 10.55 C ATOM 907 C ARG A 58 -0.977 2.088 13.039 1.00 41.12 C ATOM 908 O ARG A 58 -2.078 1.955 13.572 1.00 25.03 O ATOM 909 CB ARG A 58 0.630 0.193 13.334 1.00 54.01 C ATOM 910 CG ARG A 58 0.247 -1.255 13.588 1.00 22.32 C ATOM 911 CD ARG A 58 -0.079 -1.497 15.054 1.00 64.04 C ATOM 912 NE ARG A 58 1.109 -1.406 15.899 1.00 34.34 N ATOM 913 CZ ARG A 58 1.074 -1.485 17.225 1.00 2.10 C ATOM 914 NH1 ARG A 58 -0.081 -1.656 17.853 1.00 74.35 N ATOM 915 NH2 ARG A 58 2.197 -1.393 17.926 1.00 64.51 N ATOM 0 H ARG A 58 1.415 1.018 11.145 1.00 12.30 H new ATOM 0 HA ARG A 58 -1.066 0.212 12.014 1.00 10.55 H new ATOM 0 HB2 ARG A 58 1.650 0.229 12.951 1.00 54.01 H new ATOM 0 HB3 ARG A 58 0.626 0.733 14.281 1.00 54.01 H new ATOM 0 HG2 ARG A 58 -0.615 -1.517 12.975 1.00 22.32 H new ATOM 0 HG3 ARG A 58 1.065 -1.908 13.284 1.00 22.32 H new ATOM 0 HD2 ARG A 58 -0.818 -0.768 15.387 1.00 64.04 H new ATOM 0 HD3 ARG A 58 -0.530 -2.483 15.167 1.00 64.04 H new ATOM 0 HE ARG A 58 2.014 -1.275 15.447 1.00 34.34 H new ATOM 0 HH11 ARG A 58 -0.947 -1.727 17.318 1.00 74.35 H new ATOM 0 HH12 ARG A 58 -0.104 -1.716 18.871 1.00 74.35 H new ATOM 0 HH21 ARG A 58 3.088 -1.262 17.447 1.00 64.51 H new ATOM 0 HH22 ARG A 58 2.169 -1.454 18.944 1.00 64.51 H new ATOM 929 N GLN A 59 -0.313 3.239 13.024 1.00 61.13 N ATOM 930 CA GLN A 59 -0.853 4.441 13.649 1.00 70.55 C ATOM 931 C GLN A 59 -2.139 4.882 12.957 1.00 14.42 C ATOM 932 O GLN A 59 -3.060 5.386 13.602 1.00 63.42 O ATOM 933 CB GLN A 59 0.177 5.570 13.606 1.00 42.22 C ATOM 934 CG GLN A 59 0.308 6.324 14.920 1.00 73.24 C ATOM 935 CD GLN A 59 1.542 7.203 14.967 1.00 12.01 C ATOM 936 OE1 GLN A 59 1.544 8.319 14.446 1.00 13.43 O ATOM 937 NE2 GLN A 59 2.601 6.704 15.594 1.00 50.12 N ATOM 0 H GLN A 59 0.600 3.365 12.586 1.00 61.13 H new ATOM 0 HA GLN A 59 -1.083 4.209 14.689 1.00 70.55 H new ATOM 0 HB2 GLN A 59 1.148 5.155 13.337 1.00 42.22 H new ATOM 0 HB3 GLN A 59 -0.099 6.272 12.819 1.00 42.22 H new ATOM 0 HG2 GLN A 59 -0.578 6.940 15.071 1.00 73.24 H new ATOM 0 HG3 GLN A 59 0.344 5.610 15.743 1.00 73.24 H new ATOM 0 HE21 GLN A 59 2.555 5.775 16.012 1.00 50.12 H new ATOM 0 HE22 GLN A 59 3.460 7.250 15.658 1.00 50.12 H new ATOM 946 N ILE A 60 -2.194 4.691 11.644 1.00 14.10 N ATOM 947 CA ILE A 60 -3.368 5.070 10.866 1.00 31.32 C ATOM 948 C ILE A 60 -4.592 4.264 11.290 1.00 41.22 C ATOM 949 O ILE A 60 -5.688 4.808 11.429 1.00 74.11 O ATOM 950 CB ILE A 60 -3.133 4.869 9.358 1.00 64.32 C ATOM 951 CG1 ILE A 60 -1.911 5.666 8.899 1.00 4.00 C ATOM 952 CG2 ILE A 60 -4.367 5.280 8.570 1.00 64.14 C ATOM 953 CD1 ILE A 60 -1.265 5.117 7.646 1.00 61.53 C ATOM 0 H ILE A 60 -1.440 4.276 11.096 1.00 14.10 H new ATOM 0 HA ILE A 60 -3.547 6.128 11.060 1.00 31.32 H new ATOM 0 HB ILE A 60 -2.944 3.812 9.173 1.00 64.32 H new ATOM 0 HG12 ILE A 60 -2.208 6.700 8.722 1.00 4.00 H new ATOM 0 HG13 ILE A 60 -1.174 5.679 9.702 1.00 4.00 H new ATOM 0 HG21 ILE A 60 -4.185 5.132 7.506 1.00 64.14 H new ATOM 0 HG22 ILE A 60 -5.216 4.672 8.881 1.00 64.14 H new ATOM 0 HG23 ILE A 60 -4.585 6.331 8.758 1.00 64.14 H new ATOM 0 HD11 ILE A 60 -0.406 5.732 7.380 1.00 61.53 H new ATOM 0 HD12 ILE A 60 -0.937 4.093 7.825 1.00 61.53 H new ATOM 0 HD13 ILE A 60 -1.987 5.129 6.829 1.00 61.53 H new ATOM 965 N LEU A 61 -4.396 2.966 11.496 1.00 52.12 N ATOM 966 CA LEU A 61 -5.484 2.085 11.907 1.00 41.42 C ATOM 967 C LEU A 61 -5.998 2.464 13.292 1.00 13.22 C ATOM 968 O LEU A 61 -7.180 2.299 13.594 1.00 61.35 O ATOM 969 CB LEU A 61 -5.015 0.629 11.905 1.00 32.34 C ATOM 970 CG LEU A 61 -4.322 0.148 10.630 1.00 15.31 C ATOM 971 CD1 LEU A 61 -3.497 -1.098 10.908 1.00 31.41 C ATOM 972 CD2 LEU A 61 -5.346 -0.121 9.536 1.00 43.53 C ATOM 0 H LEU A 61 -3.495 2.501 11.385 1.00 52.12 H new ATOM 0 HA LEU A 61 -6.300 2.199 11.194 1.00 41.42 H new ATOM 0 HB2 LEU A 61 -4.331 0.488 12.742 1.00 32.34 H new ATOM 0 HB3 LEU A 61 -5.879 -0.010 12.088 1.00 32.34 H new ATOM 0 HG LEU A 61 -3.650 0.934 10.286 1.00 15.31 H new ATOM 0 HD11 LEU A 61 -3.011 -1.425 9.989 1.00 31.41 H new ATOM 0 HD12 LEU A 61 -2.739 -0.873 11.658 1.00 31.41 H new ATOM 0 HD13 LEU A 61 -4.148 -1.891 11.277 1.00 31.41 H new ATOM 0 HD21 LEU A 61 -4.835 -0.463 8.636 1.00 43.53 H new ATOM 0 HD22 LEU A 61 -6.043 -0.889 9.871 1.00 43.53 H new ATOM 0 HD23 LEU A 61 -5.894 0.796 9.317 1.00 43.53 H new ATOM 984 N GLY A 62 -5.102 2.975 14.131 1.00 14.35 N ATOM 985 CA GLY A 62 -5.486 3.372 15.474 1.00 62.20 C ATOM 986 C GLY A 62 -6.502 4.496 15.478 1.00 54.54 C ATOM 987 O GLY A 62 -7.413 4.514 16.305 1.00 10.24 O ATOM 0 H GLY A 62 -4.118 3.121 13.905 1.00 14.35 H new ATOM 0 HA2 GLY A 62 -5.899 2.511 16.000 1.00 62.20 H new ATOM 0 HA3 GLY A 62 -4.599 3.686 16.024 1.00 62.20 H new ATOM 991 N GLN A 63 -6.345 5.437 14.553 1.00 55.14 N ATOM 992 CA GLN A 63 -7.257 6.572 14.455 1.00 32.21 C ATOM 993 C GLN A 63 -8.548 6.174 13.748 1.00 61.10 C ATOM 994 O GLN A 63 -9.527 6.921 13.753 1.00 20.05 O ATOM 995 CB GLN A 63 -6.588 7.728 13.710 1.00 64.41 C ATOM 996 CG GLN A 63 -5.864 8.703 14.624 1.00 1.41 C ATOM 997 CD GLN A 63 -6.541 10.059 14.684 1.00 40.11 C ATOM 998 OE1 GLN A 63 -6.318 10.915 13.828 1.00 25.11 O ATOM 999 NE2 GLN A 63 -7.375 10.260 15.698 1.00 50.33 N ATOM 0 H GLN A 63 -5.596 5.437 13.861 1.00 55.14 H new ATOM 0 HA GLN A 63 -7.504 6.896 15.466 1.00 32.21 H new ATOM 0 HB2 GLN A 63 -5.878 7.322 12.990 1.00 64.41 H new ATOM 0 HB3 GLN A 63 -7.344 8.269 13.142 1.00 64.41 H new ATOM 0 HG2 GLN A 63 -5.811 8.283 15.628 1.00 1.41 H new ATOM 0 HG3 GLN A 63 -4.839 8.828 14.276 1.00 1.41 H new ATOM 0 HE21 GLN A 63 -7.530 9.522 16.385 1.00 50.33 H new ATOM 0 HE22 GLN A 63 -7.861 11.152 15.790 1.00 50.33 H new ATOM 1008 N LEU A 64 -8.543 4.993 13.138 1.00 3.11 N ATOM 1009 CA LEU A 64 -9.714 4.496 12.425 1.00 60.00 C ATOM 1010 C LEU A 64 -10.451 3.448 13.253 1.00 52.04 C ATOM 1011 O LEU A 64 -11.630 3.179 13.022 1.00 12.45 O ATOM 1012 CB LEU A 64 -9.301 3.901 11.078 1.00 62.31 C ATOM 1013 CG LEU A 64 -8.848 4.900 10.013 1.00 50.32 C ATOM 1014 CD1 LEU A 64 -8.514 4.182 8.714 1.00 71.20 C ATOM 1015 CD2 LEU A 64 -9.921 5.954 9.781 1.00 34.21 C ATOM 0 H LEU A 64 -7.741 4.363 13.123 1.00 3.11 H new ATOM 0 HA LEU A 64 -10.388 5.335 12.253 1.00 60.00 H new ATOM 0 HB2 LEU A 64 -8.491 3.192 11.250 1.00 62.31 H new ATOM 0 HB3 LEU A 64 -10.143 3.334 10.681 1.00 62.31 H new ATOM 0 HG LEU A 64 -7.947 5.399 10.370 1.00 50.32 H new ATOM 0 HD11 LEU A 64 -8.194 4.909 7.968 1.00 71.20 H new ATOM 0 HD12 LEU A 64 -7.712 3.466 8.890 1.00 71.20 H new ATOM 0 HD13 LEU A 64 -9.397 3.656 8.352 1.00 71.20 H new ATOM 0 HD21 LEU A 64 -9.582 6.657 9.020 1.00 34.21 H new ATOM 0 HD22 LEU A 64 -10.839 5.471 9.446 1.00 34.21 H new ATOM 0 HD23 LEU A 64 -10.112 6.490 10.711 1.00 34.21 H new ATOM 1027 N GLN A 65 -9.749 2.861 14.216 1.00 11.04 N ATOM 1028 CA GLN A 65 -10.338 1.844 15.079 1.00 5.13 C ATOM 1029 C GLN A 65 -11.674 2.315 15.642 1.00 60.42 C ATOM 1030 O GLN A 65 -12.719 1.703 15.420 1.00 70.23 O ATOM 1031 CB GLN A 65 -9.382 1.500 16.223 1.00 64.31 C ATOM 1032 CG GLN A 65 -8.834 0.083 16.152 1.00 5.21 C ATOM 1033 CD GLN A 65 -9.622 -0.892 17.004 1.00 12.44 C ATOM 1034 OE1 GLN A 65 -9.161 -1.326 18.059 1.00 22.22 O ATOM 1035 NE2 GLN A 65 -10.820 -1.240 16.549 1.00 72.40 N ATOM 0 H GLN A 65 -8.772 3.072 14.419 1.00 11.04 H new ATOM 0 HA GLN A 65 -10.512 0.951 14.479 1.00 5.13 H new ATOM 0 HB2 GLN A 65 -8.550 2.204 16.214 1.00 64.31 H new ATOM 0 HB3 GLN A 65 -9.901 1.633 17.172 1.00 64.31 H new ATOM 0 HG2 GLN A 65 -8.845 -0.255 15.116 1.00 5.21 H new ATOM 0 HG3 GLN A 65 -7.793 0.084 16.476 1.00 5.21 H new ATOM 0 HE21 GLN A 65 -11.163 -0.855 15.669 1.00 72.40 H new ATOM 0 HE22 GLN A 65 -11.398 -1.892 17.080 1.00 72.40 H new ATOM 1044 N PRO A 66 -11.643 3.428 16.390 1.00 71.53 N ATOM 1045 CA PRO A 66 -12.845 4.005 17.000 1.00 44.45 C ATOM 1046 C PRO A 66 -13.787 4.609 15.964 1.00 15.12 C ATOM 1047 O PRO A 66 -14.841 5.146 16.308 1.00 50.21 O ATOM 1048 CB PRO A 66 -12.287 5.097 17.915 1.00 4.33 C ATOM 1049 CG PRO A 66 -10.978 5.469 17.309 1.00 72.30 C ATOM 1050 CD PRO A 66 -10.433 4.209 16.696 1.00 61.32 C ATOM 0 HA PRO A 66 -13.439 3.254 17.521 1.00 44.45 H new ATOM 0 HB2 PRO A 66 -12.959 5.954 17.963 1.00 4.33 H new ATOM 0 HB3 PRO A 66 -12.162 4.733 18.935 1.00 4.33 H new ATOM 0 HG2 PRO A 66 -11.104 6.247 16.556 1.00 72.30 H new ATOM 0 HG3 PRO A 66 -10.297 5.863 18.063 1.00 72.30 H new ATOM 0 HD2 PRO A 66 -9.852 4.418 15.798 1.00 61.32 H new ATOM 0 HD3 PRO A 66 -9.776 3.678 17.385 1.00 61.32 H new ATOM 1058 N SER A 67 -13.403 4.518 14.695 1.00 60.52 N ATOM 1059 CA SER A 67 -14.213 5.058 13.609 1.00 21.15 C ATOM 1060 C SER A 67 -14.863 3.935 12.807 1.00 60.03 C ATOM 1061 O SER A 67 -15.875 4.141 12.135 1.00 51.31 O ATOM 1062 CB SER A 67 -13.355 5.928 12.689 1.00 13.12 C ATOM 1063 OG SER A 67 -12.786 7.014 13.399 1.00 11.11 O ATOM 0 H SER A 67 -12.535 4.075 14.393 1.00 60.52 H new ATOM 0 HA SER A 67 -15.001 5.672 14.046 1.00 21.15 H new ATOM 0 HB2 SER A 67 -12.563 5.324 12.247 1.00 13.12 H new ATOM 0 HB3 SER A 67 -13.964 6.306 11.868 1.00 13.12 H new ATOM 0 HG SER A 67 -11.815 6.896 13.454 1.00 11.11 H new ATOM 1069 N LEU A 68 -14.274 2.747 12.880 1.00 35.34 N ATOM 1070 CA LEU A 68 -14.796 1.589 12.160 1.00 25.20 C ATOM 1071 C LEU A 68 -16.248 1.321 12.539 1.00 74.32 C ATOM 1072 O LEU A 68 -17.056 0.928 11.697 1.00 21.02 O ATOM 1073 CB LEU A 68 -13.943 0.354 12.456 1.00 11.22 C ATOM 1074 CG LEU A 68 -12.552 0.329 11.818 1.00 15.54 C ATOM 1075 CD1 LEU A 68 -11.600 -0.517 12.649 1.00 75.11 C ATOM 1076 CD2 LEU A 68 -12.629 -0.194 10.392 1.00 14.11 C ATOM 0 H LEU A 68 -13.435 2.559 13.430 1.00 35.34 H new ATOM 0 HA LEU A 68 -14.753 1.806 11.093 1.00 25.20 H new ATOM 0 HB2 LEU A 68 -13.827 0.268 13.536 1.00 11.22 H new ATOM 0 HB3 LEU A 68 -14.489 -0.528 12.123 1.00 11.22 H new ATOM 0 HG LEU A 68 -12.167 1.348 11.788 1.00 15.54 H new ATOM 0 HD11 LEU A 68 -10.616 -0.524 12.181 1.00 75.11 H new ATOM 0 HD12 LEU A 68 -11.522 -0.098 13.652 1.00 75.11 H new ATOM 0 HD13 LEU A 68 -11.979 -1.537 12.711 1.00 75.11 H new ATOM 0 HD21 LEU A 68 -11.631 -0.205 9.954 1.00 14.11 H new ATOM 0 HD22 LEU A 68 -13.034 -1.206 10.397 1.00 14.11 H new ATOM 0 HD23 LEU A 68 -13.277 0.453 9.802 1.00 14.11 H new ATOM 1088 N GLN A 69 -16.573 1.538 13.809 1.00 73.24 N ATOM 1089 CA GLN A 69 -17.929 1.321 14.298 1.00 75.20 C ATOM 1090 C GLN A 69 -18.946 2.047 13.424 1.00 33.40 C ATOM 1091 O GLN A 69 -19.990 1.494 13.075 1.00 0.15 O ATOM 1092 CB GLN A 69 -18.054 1.795 15.748 1.00 62.54 C ATOM 1093 CG GLN A 69 -19.304 1.287 16.448 1.00 72.24 C ATOM 1094 CD GLN A 69 -19.391 1.745 17.891 1.00 64.52 C ATOM 1095 OE1 GLN A 69 -20.168 2.638 18.226 1.00 53.04 O ATOM 1096 NE2 GLN A 69 -18.589 1.131 18.755 1.00 15.50 N ATOM 0 H GLN A 69 -15.916 1.864 14.518 1.00 73.24 H new ATOM 0 HA GLN A 69 -18.137 0.252 14.254 1.00 75.20 H new ATOM 0 HB2 GLN A 69 -17.177 1.467 16.306 1.00 62.54 H new ATOM 0 HB3 GLN A 69 -18.055 2.885 15.767 1.00 62.54 H new ATOM 0 HG2 GLN A 69 -20.185 1.633 15.907 1.00 72.24 H new ATOM 0 HG3 GLN A 69 -19.317 0.198 16.415 1.00 72.24 H new ATOM 0 HE21 GLN A 69 -17.960 0.395 18.433 1.00 15.50 H new ATOM 0 HE22 GLN A 69 -18.602 1.396 19.740 1.00 15.50 H new ATOM 1105 N THR A 70 -18.635 3.291 13.072 1.00 71.22 N ATOM 1106 CA THR A 70 -19.522 4.094 12.240 1.00 41.24 C ATOM 1107 C THR A 70 -18.747 4.803 11.135 1.00 62.23 C ATOM 1108 O THR A 70 -18.844 6.018 10.977 1.00 14.50 O ATOM 1109 CB THR A 70 -20.278 5.145 13.076 1.00 72.43 C ATOM 1110 OG1 THR A 70 -20.551 4.627 14.382 1.00 4.21 O ATOM 1111 CG2 THR A 70 -21.581 5.539 12.398 1.00 12.02 C ATOM 0 H THR A 70 -17.775 3.764 13.350 1.00 71.22 H new ATOM 0 HA THR A 70 -20.242 3.409 11.793 1.00 41.24 H new ATOM 0 HB THR A 70 -19.649 6.031 13.162 1.00 72.43 H new ATOM 0 HG1 THR A 70 -21.030 5.301 14.908 1.00 4.21 H new ATOM 0 HG21 THR A 70 -22.097 6.282 13.006 1.00 12.02 H new ATOM 0 HG22 THR A 70 -21.367 5.960 11.415 1.00 12.02 H new ATOM 0 HG23 THR A 70 -22.214 4.658 12.286 1.00 12.02 H new ATOM 1119 N GLY A 71 -17.977 4.033 10.372 1.00 51.33 N ATOM 1120 CA GLY A 71 -17.197 4.605 9.290 1.00 72.43 C ATOM 1121 C GLY A 71 -17.695 4.175 7.925 1.00 74.42 C ATOM 1122 O GLY A 71 -18.025 3.007 7.716 1.00 53.41 O ATOM 0 H GLY A 71 -17.880 3.024 10.484 1.00 51.33 H new ATOM 0 HA2 GLY A 71 -17.229 5.692 9.359 1.00 72.43 H new ATOM 0 HA3 GLY A 71 -16.154 4.309 9.402 1.00 72.43 H new ATOM 1126 N SER A 72 -17.752 5.120 6.991 1.00 3.33 N ATOM 1127 CA SER A 72 -18.220 4.834 5.641 1.00 30.20 C ATOM 1128 C SER A 72 -17.354 3.765 4.981 1.00 42.42 C ATOM 1129 O SER A 72 -16.219 3.528 5.396 1.00 74.21 O ATOM 1130 CB SER A 72 -18.210 6.108 4.794 1.00 61.02 C ATOM 1131 OG SER A 72 -16.904 6.403 4.331 1.00 4.43 O ATOM 0 H SER A 72 -17.479 6.091 7.146 1.00 3.33 H new ATOM 0 HA SER A 72 -19.241 4.459 5.709 1.00 30.20 H new ATOM 0 HB2 SER A 72 -18.882 5.989 3.944 1.00 61.02 H new ATOM 0 HB3 SER A 72 -18.587 6.943 5.384 1.00 61.02 H new ATOM 0 HG SER A 72 -16.925 7.221 3.791 1.00 4.43 H new ATOM 1137 N GLU A 73 -17.898 3.125 3.951 1.00 21.52 N ATOM 1138 CA GLU A 73 -17.175 2.080 3.234 1.00 31.14 C ATOM 1139 C GLU A 73 -15.745 2.517 2.931 1.00 1.43 C ATOM 1140 O GLU A 73 -14.802 1.743 3.090 1.00 64.05 O ATOM 1141 CB GLU A 73 -17.899 1.729 1.933 1.00 71.11 C ATOM 1142 CG GLU A 73 -17.657 0.303 1.467 1.00 44.11 C ATOM 1143 CD GLU A 73 -18.136 0.064 0.048 1.00 34.44 C ATOM 1144 OE1 GLU A 73 -17.339 0.268 -0.890 1.00 51.53 O ATOM 1145 OE2 GLU A 73 -19.310 -0.329 -0.122 1.00 45.32 O ATOM 0 H GLU A 73 -18.835 3.311 3.594 1.00 21.52 H new ATOM 0 HA GLU A 73 -17.139 1.196 3.871 1.00 31.14 H new ATOM 0 HB2 GLU A 73 -18.970 1.880 2.071 1.00 71.11 H new ATOM 0 HB3 GLU A 73 -17.578 2.417 1.151 1.00 71.11 H new ATOM 0 HG2 GLU A 73 -16.592 0.080 1.529 1.00 44.11 H new ATOM 0 HG3 GLU A 73 -18.167 -0.387 2.140 1.00 44.11 H new ATOM 1152 N GLU A 74 -15.594 3.764 2.494 1.00 4.04 N ATOM 1153 CA GLU A 74 -14.280 4.305 2.168 1.00 63.24 C ATOM 1154 C GLU A 74 -13.285 4.033 3.293 1.00 43.33 C ATOM 1155 O GLU A 74 -12.162 3.589 3.051 1.00 52.12 O ATOM 1156 CB GLU A 74 -14.373 5.809 1.907 1.00 42.14 C ATOM 1157 CG GLU A 74 -14.810 6.155 0.493 1.00 11.21 C ATOM 1158 CD GLU A 74 -16.314 6.088 0.315 1.00 23.41 C ATOM 1159 OE1 GLU A 74 -17.009 7.017 0.777 1.00 53.24 O ATOM 1160 OE2 GLU A 74 -16.796 5.106 -0.287 1.00 31.25 O ATOM 0 H GLU A 74 -16.365 4.418 2.358 1.00 4.04 H new ATOM 0 HA GLU A 74 -13.925 3.809 1.265 1.00 63.24 H new ATOM 0 HB2 GLU A 74 -15.076 6.249 2.614 1.00 42.14 H new ATOM 0 HB3 GLU A 74 -13.401 6.264 2.100 1.00 42.14 H new ATOM 0 HG2 GLU A 74 -14.463 7.158 0.244 1.00 11.21 H new ATOM 0 HG3 GLU A 74 -14.334 5.470 -0.208 1.00 11.21 H new ATOM 1167 N LEU A 75 -13.704 4.305 4.523 1.00 34.14 N ATOM 1168 CA LEU A 75 -12.851 4.090 5.688 1.00 40.12 C ATOM 1169 C LEU A 75 -12.374 2.643 5.755 1.00 74.14 C ATOM 1170 O LEU A 75 -11.184 2.379 5.929 1.00 73.35 O ATOM 1171 CB LEU A 75 -13.604 4.451 6.969 1.00 22.41 C ATOM 1172 CG LEU A 75 -12.741 4.860 8.163 1.00 63.12 C ATOM 1173 CD1 LEU A 75 -13.166 6.222 8.688 1.00 40.21 C ATOM 1174 CD2 LEU A 75 -12.822 3.813 9.264 1.00 24.20 C ATOM 0 H LEU A 75 -14.629 4.675 4.741 1.00 34.14 H new ATOM 0 HA LEU A 75 -11.978 4.736 5.592 1.00 40.12 H new ATOM 0 HB2 LEU A 75 -14.290 5.268 6.745 1.00 22.41 H new ATOM 0 HB3 LEU A 75 -14.212 3.595 7.262 1.00 22.41 H new ATOM 0 HG LEU A 75 -11.705 4.929 7.831 1.00 63.12 H new ATOM 0 HD11 LEU A 75 -12.540 6.496 9.538 1.00 40.21 H new ATOM 0 HD12 LEU A 75 -13.054 6.967 7.900 1.00 40.21 H new ATOM 0 HD13 LEU A 75 -14.209 6.181 9.003 1.00 40.21 H new ATOM 0 HD21 LEU A 75 -12.201 4.121 10.105 1.00 24.20 H new ATOM 0 HD22 LEU A 75 -13.856 3.711 9.594 1.00 24.20 H new ATOM 0 HD23 LEU A 75 -12.467 2.856 8.883 1.00 24.20 H new ATOM 1186 N ARG A 76 -13.310 1.710 5.613 1.00 5.21 N ATOM 1187 CA ARG A 76 -12.985 0.290 5.656 1.00 24.23 C ATOM 1188 C ARG A 76 -11.877 -0.045 4.661 1.00 31.22 C ATOM 1189 O ARG A 76 -10.885 -0.684 5.012 1.00 1.45 O ATOM 1190 CB ARG A 76 -14.227 -0.549 5.354 1.00 74.30 C ATOM 1191 CG ARG A 76 -14.557 -1.562 6.439 1.00 14.42 C ATOM 1192 CD ARG A 76 -16.060 -1.706 6.628 1.00 3.51 C ATOM 1193 NE ARG A 76 -16.395 -2.303 7.918 1.00 24.12 N ATOM 1194 CZ ARG A 76 -16.237 -3.593 8.192 1.00 33.05 C ATOM 1195 NH1 ARG A 76 -15.752 -4.417 7.273 1.00 15.31 N ATOM 1196 NH2 ARG A 76 -16.565 -4.062 9.390 1.00 70.21 N ATOM 0 H ARG A 76 -14.299 1.912 5.467 1.00 5.21 H new ATOM 0 HA ARG A 76 -12.632 0.055 6.660 1.00 24.23 H new ATOM 0 HB2 ARG A 76 -15.080 0.116 5.218 1.00 74.30 H new ATOM 0 HB3 ARG A 76 -14.079 -1.075 4.411 1.00 74.30 H new ATOM 0 HG2 ARG A 76 -14.128 -2.529 6.178 1.00 14.42 H new ATOM 0 HG3 ARG A 76 -14.099 -1.253 7.379 1.00 14.42 H new ATOM 0 HD2 ARG A 76 -16.531 -0.726 6.549 1.00 3.51 H new ATOM 0 HD3 ARG A 76 -16.469 -2.322 5.827 1.00 3.51 H new ATOM 0 HE ARG A 76 -16.770 -1.697 8.648 1.00 24.12 H new ATOM 0 HH11 ARG A 76 -15.499 -4.061 6.351 1.00 15.31 H new ATOM 0 HH12 ARG A 76 -15.632 -5.407 7.488 1.00 15.31 H new ATOM 0 HH21 ARG A 76 -16.938 -3.432 10.100 1.00 70.21 H new ATOM 0 HH22 ARG A 76 -16.444 -5.053 9.601 1.00 70.21 H new ATOM 1210 N SER A 77 -12.054 0.390 3.418 1.00 55.03 N ATOM 1211 CA SER A 77 -11.073 0.134 2.372 1.00 65.55 C ATOM 1212 C SER A 77 -9.669 0.506 2.839 1.00 44.42 C ATOM 1213 O SER A 77 -8.714 -0.244 2.634 1.00 1.31 O ATOM 1214 CB SER A 77 -11.427 0.919 1.107 1.00 72.23 C ATOM 1215 OG SER A 77 -12.386 0.226 0.328 1.00 20.10 O ATOM 0 H SER A 77 -12.869 0.922 3.111 1.00 55.03 H new ATOM 0 HA SER A 77 -11.091 -0.932 2.146 1.00 65.55 H new ATOM 0 HB2 SER A 77 -11.816 1.900 1.381 1.00 72.23 H new ATOM 0 HB3 SER A 77 -10.527 1.087 0.516 1.00 72.23 H new ATOM 0 HG SER A 77 -12.596 0.749 -0.473 1.00 20.10 H new ATOM 1221 N LEU A 78 -9.552 1.670 3.468 1.00 70.23 N ATOM 1222 CA LEU A 78 -8.265 2.144 3.966 1.00 51.22 C ATOM 1223 C LEU A 78 -7.649 1.135 4.930 1.00 2.52 C ATOM 1224 O LEU A 78 -6.520 0.686 4.735 1.00 32.24 O ATOM 1225 CB LEU A 78 -8.433 3.497 4.662 1.00 34.52 C ATOM 1226 CG LEU A 78 -7.912 4.714 3.898 1.00 34.33 C ATOM 1227 CD1 LEU A 78 -6.472 4.496 3.464 1.00 5.11 C ATOM 1228 CD2 LEU A 78 -8.796 5.006 2.693 1.00 32.23 C ATOM 0 H LEU A 78 -10.332 2.303 3.645 1.00 70.23 H new ATOM 0 HA LEU A 78 -7.594 2.261 3.115 1.00 51.22 H new ATOM 0 HB2 LEU A 78 -9.493 3.648 4.867 1.00 34.52 H new ATOM 0 HB3 LEU A 78 -7.925 3.453 5.625 1.00 34.52 H new ATOM 0 HG LEU A 78 -7.942 5.577 4.564 1.00 34.33 H new ATOM 0 HD11 LEU A 78 -6.119 5.373 2.922 1.00 5.11 H new ATOM 0 HD12 LEU A 78 -5.847 4.337 4.343 1.00 5.11 H new ATOM 0 HD13 LEU A 78 -6.416 3.622 2.816 1.00 5.11 H new ATOM 0 HD21 LEU A 78 -8.410 5.876 2.161 1.00 32.23 H new ATOM 0 HD22 LEU A 78 -8.798 4.144 2.026 1.00 32.23 H new ATOM 0 HD23 LEU A 78 -9.813 5.208 3.028 1.00 32.23 H new ATOM 1240 N TYR A 79 -8.399 0.784 5.969 1.00 63.45 N ATOM 1241 CA TYR A 79 -7.926 -0.172 6.963 1.00 10.11 C ATOM 1242 C TYR A 79 -7.304 -1.393 6.293 1.00 73.30 C ATOM 1243 O TYR A 79 -6.190 -1.795 6.624 1.00 31.44 O ATOM 1244 CB TYR A 79 -9.078 -0.605 7.872 1.00 61.40 C ATOM 1245 CG TYR A 79 -8.628 -1.085 9.234 1.00 64.15 C ATOM 1246 CD1 TYR A 79 -8.113 -2.364 9.406 1.00 1.44 C ATOM 1247 CD2 TYR A 79 -8.717 -0.259 10.347 1.00 12.30 C ATOM 1248 CE1 TYR A 79 -7.701 -2.806 10.648 1.00 22.45 C ATOM 1249 CE2 TYR A 79 -8.307 -0.692 11.592 1.00 25.44 C ATOM 1250 CZ TYR A 79 -7.799 -1.967 11.739 1.00 74.15 C ATOM 1251 OH TYR A 79 -7.389 -2.403 12.977 1.00 41.00 O ATOM 0 H TYR A 79 -9.336 1.147 6.145 1.00 63.45 H new ATOM 0 HA TYR A 79 -7.160 0.317 7.565 1.00 10.11 H new ATOM 0 HB2 TYR A 79 -9.763 0.233 8.000 1.00 61.40 H new ATOM 0 HB3 TYR A 79 -9.637 -1.402 7.382 1.00 61.40 H new ATOM 0 HD1 TYR A 79 -8.034 -3.023 8.554 1.00 1.44 H new ATOM 0 HD2 TYR A 79 -9.114 0.739 10.237 1.00 12.30 H new ATOM 0 HE1 TYR A 79 -7.304 -3.804 10.765 1.00 22.45 H new ATOM 0 HE2 TYR A 79 -8.383 -0.036 12.447 1.00 25.44 H new ATOM 0 HH TYR A 79 -7.524 -1.690 13.636 1.00 41.00 H new ATOM 1261 N ASN A 80 -8.033 -1.976 5.348 1.00 32.44 N ATOM 1262 CA ASN A 80 -7.554 -3.153 4.630 1.00 14.42 C ATOM 1263 C ASN A 80 -6.134 -2.935 4.118 1.00 41.13 C ATOM 1264 O ASN A 80 -5.184 -3.546 4.610 1.00 44.30 O ATOM 1265 CB ASN A 80 -8.486 -3.475 3.460 1.00 33.44 C ATOM 1266 CG ASN A 80 -9.486 -4.563 3.802 1.00 33.32 C ATOM 1267 OD1 ASN A 80 -9.845 -5.371 2.810 1.00 22.43 O flip ATOM 1268 ND2 ASN A 80 -9.933 -4.674 4.944 1.00 4.43 N flip ATOM 0 H ASN A 80 -8.957 -1.654 5.061 1.00 32.44 H new ATOM 0 HA ASN A 80 -7.547 -3.994 5.323 1.00 14.42 H new ATOM 0 HB2 ASN A 80 -9.021 -2.572 3.166 1.00 33.44 H new ATOM 0 HB3 ASN A 80 -7.892 -3.788 2.601 1.00 33.44 H new ATOM 0 HD21 ASN A 80 -9.629 -4.031 5.675 1.00 4.43 H new ATOM 0 HD22 ASN A 80 -10.607 -5.409 5.159 1.00 4.43 H new ATOM 1275 N THR A 81 -5.995 -2.061 3.126 1.00 10.44 N ATOM 1276 CA THR A 81 -4.692 -1.763 2.547 1.00 65.51 C ATOM 1277 C THR A 81 -3.667 -1.449 3.630 1.00 23.32 C ATOM 1278 O THR A 81 -2.618 -2.089 3.710 1.00 20.54 O ATOM 1279 CB THR A 81 -4.769 -0.575 1.569 1.00 5.13 C ATOM 1280 OG1 THR A 81 -5.727 -0.848 0.541 1.00 33.45 O ATOM 1281 CG2 THR A 81 -3.410 -0.300 0.943 1.00 33.13 C ATOM 0 H THR A 81 -6.770 -1.547 2.707 1.00 10.44 H new ATOM 0 HA THR A 81 -4.379 -2.653 2.002 1.00 65.51 H new ATOM 0 HB THR A 81 -5.079 0.308 2.128 1.00 5.13 H new ATOM 0 HG1 THR A 81 -5.771 -0.087 -0.075 1.00 33.45 H new ATOM 0 HG21 THR A 81 -3.490 0.543 0.256 1.00 33.13 H new ATOM 0 HG22 THR A 81 -2.690 -0.063 1.726 1.00 33.13 H new ATOM 0 HG23 THR A 81 -3.076 -1.182 0.397 1.00 33.13 H new ATOM 1289 N ILE A 82 -3.976 -0.461 4.462 1.00 14.12 N ATOM 1290 CA ILE A 82 -3.083 -0.063 5.543 1.00 3.04 C ATOM 1291 C ILE A 82 -2.471 -1.281 6.228 1.00 74.04 C ATOM 1292 O ILE A 82 -1.263 -1.338 6.455 1.00 55.31 O ATOM 1293 CB ILE A 82 -3.815 0.789 6.596 1.00 53.05 C ATOM 1294 CG1 ILE A 82 -4.264 2.118 5.985 1.00 10.23 C ATOM 1295 CG2 ILE A 82 -2.918 1.030 7.801 1.00 54.23 C ATOM 1296 CD1 ILE A 82 -5.356 2.808 6.773 1.00 33.42 C ATOM 0 H ILE A 82 -4.839 0.080 4.408 1.00 14.12 H new ATOM 0 HA ILE A 82 -2.291 0.534 5.092 1.00 3.04 H new ATOM 0 HB ILE A 82 -4.699 0.246 6.930 1.00 53.05 H new ATOM 0 HG12 ILE A 82 -3.404 2.784 5.912 1.00 10.23 H new ATOM 0 HG13 ILE A 82 -4.617 1.941 4.969 1.00 10.23 H new ATOM 0 HG21 ILE A 82 -3.450 1.634 8.536 1.00 54.23 H new ATOM 0 HG22 ILE A 82 -2.643 0.074 8.247 1.00 54.23 H new ATOM 0 HG23 ILE A 82 -2.017 1.555 7.484 1.00 54.23 H new ATOM 0 HD11 ILE A 82 -5.624 3.743 6.281 1.00 33.42 H new ATOM 0 HD12 ILE A 82 -6.232 2.161 6.824 1.00 33.42 H new ATOM 0 HD13 ILE A 82 -5.000 3.017 7.782 1.00 33.42 H new ATOM 1308 N ALA A 83 -3.315 -2.256 6.551 1.00 1.23 N ATOM 1309 CA ALA A 83 -2.858 -3.476 7.206 1.00 1.04 C ATOM 1310 C ALA A 83 -1.939 -4.278 6.291 1.00 30.23 C ATOM 1311 O ALA A 83 -0.955 -4.865 6.744 1.00 74.44 O ATOM 1312 CB ALA A 83 -4.047 -4.321 7.636 1.00 74.50 C ATOM 0 H ALA A 83 -4.318 -2.225 6.370 1.00 1.23 H new ATOM 0 HA ALA A 83 -2.289 -3.193 8.092 1.00 1.04 H new ATOM 0 HB1 ALA A 83 -3.691 -5.229 8.123 1.00 74.50 H new ATOM 0 HB2 ALA A 83 -4.664 -3.753 8.332 1.00 74.50 H new ATOM 0 HB3 ALA A 83 -4.639 -4.588 6.761 1.00 74.50 H new ATOM 1318 N VAL A 84 -2.265 -4.300 5.003 1.00 1.13 N ATOM 1319 CA VAL A 84 -1.468 -5.030 4.025 1.00 52.23 C ATOM 1320 C VAL A 84 -0.115 -4.362 3.810 1.00 64.12 C ATOM 1321 O VAL A 84 0.871 -5.023 3.480 1.00 30.31 O ATOM 1322 CB VAL A 84 -2.197 -5.135 2.672 1.00 11.53 C ATOM 1323 CG1 VAL A 84 -1.540 -6.186 1.790 1.00 15.24 C ATOM 1324 CG2 VAL A 84 -3.671 -5.449 2.884 1.00 23.54 C ATOM 0 H VAL A 84 -3.076 -3.820 4.612 1.00 1.13 H new ATOM 0 HA VAL A 84 -1.316 -6.032 4.426 1.00 52.23 H new ATOM 0 HB VAL A 84 -2.123 -4.173 2.164 1.00 11.53 H new ATOM 0 HG11 VAL A 84 -2.069 -6.245 0.839 1.00 15.24 H new ATOM 0 HG12 VAL A 84 -0.500 -5.912 1.610 1.00 15.24 H new ATOM 0 HG13 VAL A 84 -1.579 -7.155 2.288 1.00 15.24 H new ATOM 0 HG21 VAL A 84 -4.171 -5.520 1.918 1.00 23.54 H new ATOM 0 HG22 VAL A 84 -3.769 -6.397 3.413 1.00 23.54 H new ATOM 0 HG23 VAL A 84 -4.131 -4.656 3.473 1.00 23.54 H new ATOM 1334 N LEU A 85 -0.073 -3.047 3.999 1.00 20.41 N ATOM 1335 CA LEU A 85 1.160 -2.289 3.826 1.00 3.35 C ATOM 1336 C LEU A 85 2.087 -2.476 5.023 1.00 41.23 C ATOM 1337 O LEU A 85 3.293 -2.664 4.864 1.00 25.30 O ATOM 1338 CB LEU A 85 0.846 -0.803 3.637 1.00 45.11 C ATOM 1339 CG LEU A 85 2.053 0.123 3.481 1.00 1.32 C ATOM 1340 CD1 LEU A 85 2.978 -0.383 2.385 1.00 32.44 C ATOM 1341 CD2 LEU A 85 1.599 1.545 3.184 1.00 60.13 C ATOM 0 H LEU A 85 -0.879 -2.485 4.272 1.00 20.41 H new ATOM 0 HA LEU A 85 1.666 -2.664 2.936 1.00 3.35 H new ATOM 0 HB2 LEU A 85 0.214 -0.695 2.756 1.00 45.11 H new ATOM 0 HB3 LEU A 85 0.261 -0.464 4.492 1.00 45.11 H new ATOM 0 HG LEU A 85 2.606 0.128 4.420 1.00 1.32 H new ATOM 0 HD11 LEU A 85 3.831 0.289 2.289 1.00 32.44 H new ATOM 0 HD12 LEU A 85 3.331 -1.383 2.639 1.00 32.44 H new ATOM 0 HD13 LEU A 85 2.436 -0.419 1.440 1.00 32.44 H new ATOM 0 HD21 LEU A 85 2.471 2.190 3.076 1.00 60.13 H new ATOM 0 HD22 LEU A 85 1.022 1.557 2.259 1.00 60.13 H new ATOM 0 HD23 LEU A 85 0.979 1.908 4.004 1.00 60.13 H new ATOM 1353 N TYR A 86 1.515 -2.425 6.221 1.00 61.14 N ATOM 1354 CA TYR A 86 2.290 -2.589 7.445 1.00 11.20 C ATOM 1355 C TYR A 86 3.194 -3.815 7.358 1.00 42.51 C ATOM 1356 O TYR A 86 4.360 -3.769 7.751 1.00 60.42 O ATOM 1357 CB TYR A 86 1.357 -2.715 8.651 1.00 50.32 C ATOM 1358 CG TYR A 86 2.080 -2.991 9.950 1.00 73.44 C ATOM 1359 CD1 TYR A 86 2.616 -1.955 10.704 1.00 63.42 C ATOM 1360 CD2 TYR A 86 2.225 -4.290 10.423 1.00 13.33 C ATOM 1361 CE1 TYR A 86 3.278 -2.205 11.890 1.00 22.02 C ATOM 1362 CE2 TYR A 86 2.884 -4.548 11.609 1.00 21.45 C ATOM 1363 CZ TYR A 86 3.409 -3.502 12.339 1.00 25.43 C ATOM 1364 OH TYR A 86 4.067 -3.754 13.522 1.00 10.12 O ATOM 0 H TYR A 86 0.518 -2.271 6.370 1.00 61.14 H new ATOM 0 HA TYR A 86 2.917 -1.706 7.569 1.00 11.20 H new ATOM 0 HB2 TYR A 86 0.783 -1.794 8.753 1.00 50.32 H new ATOM 0 HB3 TYR A 86 0.643 -3.517 8.465 1.00 50.32 H new ATOM 0 HD1 TYR A 86 2.513 -0.937 10.357 1.00 63.42 H new ATOM 0 HD2 TYR A 86 1.815 -5.111 9.854 1.00 13.33 H new ATOM 0 HE1 TYR A 86 3.691 -1.388 12.463 1.00 22.02 H new ATOM 0 HE2 TYR A 86 2.988 -5.563 11.963 1.00 21.45 H new ATOM 0 HH TYR A 86 4.381 -4.682 13.531 1.00 10.12 H new ATOM 1374 N CYS A 87 2.647 -4.909 6.840 1.00 24.40 N ATOM 1375 CA CYS A 87 3.403 -6.149 6.700 1.00 62.22 C ATOM 1376 C CYS A 87 4.484 -6.009 5.632 1.00 33.24 C ATOM 1377 O CYS A 87 5.563 -6.590 5.747 1.00 1.54 O ATOM 1378 CB CYS A 87 2.466 -7.305 6.346 1.00 22.03 C ATOM 1379 SG CYS A 87 1.634 -8.042 7.772 1.00 14.13 S ATOM 0 H CYS A 87 1.683 -4.963 6.510 1.00 24.40 H new ATOM 0 HA CYS A 87 3.885 -6.361 7.654 1.00 62.22 H new ATOM 0 HB2 CYS A 87 1.713 -6.947 5.644 1.00 22.03 H new ATOM 0 HB3 CYS A 87 3.038 -8.078 5.833 1.00 22.03 H new ATOM 0 HG CYS A 87 0.476 -8.506 7.407 1.00 14.13 H new ATOM 1385 N VAL A 88 4.184 -5.238 4.592 1.00 4.21 N ATOM 1386 CA VAL A 88 5.130 -5.022 3.504 1.00 72.24 C ATOM 1387 C VAL A 88 6.406 -4.358 4.007 1.00 61.20 C ATOM 1388 O VAL A 88 7.494 -4.601 3.483 1.00 64.20 O ATOM 1389 CB VAL A 88 4.515 -4.151 2.391 1.00 63.02 C ATOM 1390 CG1 VAL A 88 5.525 -3.918 1.277 1.00 50.25 C ATOM 1391 CG2 VAL A 88 3.249 -4.796 1.849 1.00 50.13 C ATOM 0 H VAL A 88 3.294 -4.753 4.480 1.00 4.21 H new ATOM 0 HA VAL A 88 5.372 -6.003 3.096 1.00 72.24 H new ATOM 0 HB VAL A 88 4.248 -3.183 2.815 1.00 63.02 H new ATOM 0 HG11 VAL A 88 5.074 -3.301 0.500 1.00 50.25 H new ATOM 0 HG12 VAL A 88 6.401 -3.410 1.680 1.00 50.25 H new ATOM 0 HG13 VAL A 88 5.825 -4.876 0.852 1.00 50.25 H new ATOM 0 HG21 VAL A 88 2.828 -4.168 1.064 1.00 50.13 H new ATOM 0 HG22 VAL A 88 3.487 -5.778 1.439 1.00 50.13 H new ATOM 0 HG23 VAL A 88 2.523 -4.906 2.655 1.00 50.13 H new ATOM 1401 N HIS A 89 6.267 -3.518 5.027 1.00 22.42 N ATOM 1402 CA HIS A 89 7.410 -2.819 5.604 1.00 0.53 C ATOM 1403 C HIS A 89 8.008 -3.616 6.761 1.00 55.32 C ATOM 1404 O HIS A 89 9.195 -3.428 7.023 1.00 71.02 O ATOM 1405 CB HIS A 89 6.993 -1.430 6.090 1.00 45.13 C ATOM 1406 CG HIS A 89 6.528 -0.525 4.989 1.00 63.11 C ATOM 1407 ND1 HIS A 89 7.226 -0.351 3.813 1.00 72.41 N ATOM 1408 CD2 HIS A 89 5.429 0.257 4.892 1.00 72.23 C ATOM 1409 CE1 HIS A 89 6.575 0.499 3.039 1.00 12.25 C ATOM 1410 NE2 HIS A 89 5.480 0.882 3.671 1.00 1.12 N ATOM 0 H HIS A 89 5.374 -3.304 5.471 1.00 22.42 H new ATOM 0 HA HIS A 89 8.168 -2.713 4.828 1.00 0.53 H new ATOM 0 HB2 HIS A 89 6.194 -1.535 6.824 1.00 45.13 H new ATOM 0 HB3 HIS A 89 7.836 -0.964 6.601 1.00 45.13 H new ATOM 0 HD2 HIS A 89 4.655 0.369 5.637 1.00 72.23 H new ATOM 0 HE1 HIS A 89 6.885 0.825 2.057 1.00 12.25 H new ATOM 0 HE2 HIS A 89 4.785 1.536 3.310 1.00 1.12 H new ATOM 1419 N GLN A 90 7.243 -4.469 7.434 1.00 21.32 N ATOM 1420 CA GLN A 90 7.770 -5.252 8.546 1.00 73.42 C ATOM 1421 C GLN A 90 8.377 -6.561 8.052 1.00 40.45 C ATOM 1422 O GLN A 90 8.713 -7.440 8.846 1.00 3.31 O ATOM 1423 CB GLN A 90 6.664 -5.541 9.562 1.00 33.42 C ATOM 1424 CG GLN A 90 6.460 -4.425 10.574 1.00 11.22 C ATOM 1425 CD GLN A 90 6.480 -4.924 12.005 1.00 33.34 C ATOM 1426 OE1 GLN A 90 5.776 -5.873 12.354 1.00 3.40 O ATOM 1427 NE2 GLN A 90 7.287 -4.286 12.845 1.00 65.20 N ATOM 0 H GLN A 90 6.258 -4.636 7.229 1.00 21.32 H new ATOM 0 HA GLN A 90 8.554 -4.669 9.028 1.00 73.42 H new ATOM 0 HB2 GLN A 90 5.729 -5.712 9.029 1.00 33.42 H new ATOM 0 HB3 GLN A 90 6.902 -6.463 10.093 1.00 33.42 H new ATOM 0 HG2 GLN A 90 7.240 -3.675 10.444 1.00 11.22 H new ATOM 0 HG3 GLN A 90 5.508 -3.932 10.378 1.00 11.22 H new ATOM 0 HE21 GLN A 90 7.853 -3.505 12.514 1.00 65.20 H new ATOM 0 HE22 GLN A 90 7.341 -4.577 13.821 1.00 65.20 H new ATOM 1436 N ARG A 91 8.513 -6.684 6.736 1.00 65.03 N ATOM 1437 CA ARG A 91 9.079 -7.886 6.135 1.00 10.40 C ATOM 1438 C ARG A 91 8.226 -9.109 6.461 1.00 0.10 C ATOM 1439 O ARG A 91 8.740 -10.133 6.912 1.00 72.21 O ATOM 1440 CB ARG A 91 10.510 -8.103 6.628 1.00 25.14 C ATOM 1441 CG ARG A 91 11.437 -6.932 6.345 1.00 72.41 C ATOM 1442 CD ARG A 91 12.895 -7.313 6.548 1.00 34.21 C ATOM 1443 NE ARG A 91 13.701 -6.177 6.987 1.00 23.22 N ATOM 1444 CZ ARG A 91 14.964 -6.283 7.386 1.00 61.51 C ATOM 1445 NH1 ARG A 91 15.561 -7.467 7.401 1.00 0.51 N ATOM 1446 NH2 ARG A 91 15.633 -5.203 7.770 1.00 12.11 N ATOM 0 H ARG A 91 8.239 -5.966 6.065 1.00 65.03 H new ATOM 0 HA ARG A 91 9.092 -7.750 5.054 1.00 10.40 H new ATOM 0 HB2 ARG A 91 10.491 -8.289 7.702 1.00 25.14 H new ATOM 0 HB3 ARG A 91 10.916 -8.998 6.157 1.00 25.14 H new ATOM 0 HG2 ARG A 91 11.289 -6.589 5.321 1.00 72.41 H new ATOM 0 HG3 ARG A 91 11.183 -6.099 7.000 1.00 72.41 H new ATOM 0 HD2 ARG A 91 12.962 -8.112 7.287 1.00 34.21 H new ATOM 0 HD3 ARG A 91 13.300 -7.706 5.616 1.00 34.21 H new ATOM 0 HE ARG A 91 13.271 -5.252 6.987 1.00 23.22 H new ATOM 0 HH11 ARG A 91 15.051 -8.299 7.106 1.00 0.51 H new ATOM 0 HH12 ARG A 91 16.531 -7.545 7.708 1.00 0.51 H new ATOM 0 HH21 ARG A 91 15.178 -4.290 7.759 1.00 12.11 H new ATOM 0 HH22 ARG A 91 16.602 -5.286 8.076 1.00 12.11 H new ATOM 1460 N ILE A 92 6.923 -8.993 6.229 1.00 4.21 N ATOM 1461 CA ILE A 92 6.000 -10.089 6.498 1.00 63.05 C ATOM 1462 C ILE A 92 5.263 -10.509 5.231 1.00 61.14 C ATOM 1463 O ILE A 92 4.674 -9.680 4.539 1.00 40.35 O ATOM 1464 CB ILE A 92 4.968 -9.705 7.575 1.00 61.34 C ATOM 1465 CG1 ILE A 92 5.673 -9.143 8.810 1.00 4.23 C ATOM 1466 CG2 ILE A 92 4.118 -10.910 7.946 1.00 75.51 C ATOM 1467 CD1 ILE A 92 4.724 -8.733 9.914 1.00 44.42 C ATOM 0 H ILE A 92 6.483 -8.152 5.856 1.00 4.21 H new ATOM 0 HA ILE A 92 6.599 -10.924 6.862 1.00 63.05 H new ATOM 0 HB ILE A 92 4.313 -8.933 7.171 1.00 61.34 H new ATOM 0 HG12 ILE A 92 6.364 -9.892 9.196 1.00 4.23 H new ATOM 0 HG13 ILE A 92 6.270 -8.280 8.516 1.00 4.23 H new ATOM 0 HG21 ILE A 92 3.393 -10.623 8.708 1.00 75.51 H new ATOM 0 HG22 ILE A 92 3.592 -11.270 7.062 1.00 75.51 H new ATOM 0 HG23 ILE A 92 4.759 -11.702 8.334 1.00 75.51 H new ATOM 0 HD11 ILE A 92 5.294 -8.344 10.758 1.00 44.42 H new ATOM 0 HD12 ILE A 92 4.049 -7.961 9.545 1.00 44.42 H new ATOM 0 HD13 ILE A 92 4.145 -9.598 10.236 1.00 44.42 H new ATOM 1479 N ASP A 93 5.300 -11.804 4.934 1.00 14.10 N ATOM 1480 CA ASP A 93 4.632 -12.336 3.751 1.00 12.11 C ATOM 1481 C ASP A 93 3.185 -12.706 4.063 1.00 10.14 C ATOM 1482 O ASP A 93 2.922 -13.654 4.803 1.00 10.14 O ATOM 1483 CB ASP A 93 5.382 -13.560 3.225 1.00 70.44 C ATOM 1484 CG ASP A 93 4.990 -13.911 1.802 1.00 21.05 C ATOM 1485 OD1 ASP A 93 3.960 -14.592 1.623 1.00 70.53 O ATOM 1486 OD2 ASP A 93 5.715 -13.506 0.869 1.00 4.34 O ATOM 0 H ASP A 93 5.785 -12.504 5.495 1.00 14.10 H new ATOM 0 HA ASP A 93 4.632 -11.561 2.984 1.00 12.11 H new ATOM 0 HB2 ASP A 93 6.455 -13.371 3.267 1.00 70.44 H new ATOM 0 HB3 ASP A 93 5.182 -14.412 3.875 1.00 70.44 H new ATOM 1491 N VAL A 94 2.251 -11.950 3.496 1.00 1.25 N ATOM 1492 CA VAL A 94 0.831 -12.198 3.714 1.00 1.22 C ATOM 1493 C VAL A 94 0.209 -12.912 2.520 1.00 55.35 C ATOM 1494 O VAL A 94 0.464 -12.558 1.368 1.00 32.31 O ATOM 1495 CB VAL A 94 0.065 -10.887 3.970 1.00 2.32 C ATOM 1496 CG1 VAL A 94 0.659 -10.145 5.158 1.00 0.03 C ATOM 1497 CG2 VAL A 94 0.075 -10.012 2.726 1.00 52.13 C ATOM 0 H VAL A 94 2.452 -11.161 2.882 1.00 1.25 H new ATOM 0 HA VAL A 94 0.752 -12.834 4.596 1.00 1.22 H new ATOM 0 HB VAL A 94 -0.971 -11.132 4.205 1.00 2.32 H new ATOM 0 HG11 VAL A 94 0.105 -9.221 5.324 1.00 0.03 H new ATOM 0 HG12 VAL A 94 0.594 -10.772 6.048 1.00 0.03 H new ATOM 0 HG13 VAL A 94 1.704 -9.910 4.955 1.00 0.03 H new ATOM 0 HG21 VAL A 94 -0.471 -9.090 2.925 1.00 52.13 H new ATOM 0 HG22 VAL A 94 1.104 -9.774 2.457 1.00 52.13 H new ATOM 0 HG23 VAL A 94 -0.401 -10.545 1.903 1.00 52.13 H new ATOM 1507 N LYS A 95 -0.611 -13.919 2.801 1.00 74.42 N ATOM 1508 CA LYS A 95 -1.274 -14.683 1.750 1.00 60.30 C ATOM 1509 C LYS A 95 -2.483 -13.928 1.206 1.00 2.12 C ATOM 1510 O LYS A 95 -2.925 -14.171 0.085 1.00 73.54 O ATOM 1511 CB LYS A 95 -1.711 -16.049 2.283 1.00 34.13 C ATOM 1512 CG LYS A 95 -1.858 -17.106 1.202 1.00 25.14 C ATOM 1513 CD LYS A 95 -0.816 -18.203 1.350 1.00 43.42 C ATOM 1514 CE LYS A 95 0.379 -17.963 0.438 1.00 32.15 C ATOM 1515 NZ LYS A 95 1.590 -17.562 1.206 1.00 43.31 N ATOM 0 H LYS A 95 -0.833 -14.225 3.748 1.00 74.42 H new ATOM 0 HA LYS A 95 -0.562 -14.827 0.937 1.00 60.30 H new ATOM 0 HB2 LYS A 95 -0.983 -16.392 3.018 1.00 34.13 H new ATOM 0 HB3 LYS A 95 -2.662 -15.939 2.803 1.00 34.13 H new ATOM 0 HG2 LYS A 95 -2.856 -17.542 1.251 1.00 25.14 H new ATOM 0 HG3 LYS A 95 -1.761 -16.641 0.221 1.00 25.14 H new ATOM 0 HD2 LYS A 95 -0.481 -18.251 2.386 1.00 43.42 H new ATOM 0 HD3 LYS A 95 -1.266 -19.168 1.116 1.00 43.42 H new ATOM 0 HE2 LYS A 95 0.592 -18.870 -0.128 1.00 32.15 H new ATOM 0 HE3 LYS A 95 0.134 -17.185 -0.285 1.00 32.15 H new ATOM 0 HZ1 LYS A 95 2.382 -17.408 0.550 1.00 43.31 H new ATOM 0 HZ2 LYS A 95 1.396 -16.683 1.727 1.00 43.31 H new ATOM 0 HZ3 LYS A 95 1.839 -18.315 1.879 1.00 43.31 H new ATOM 1529 N ASP A 96 -3.009 -13.009 2.009 1.00 40.32 N ATOM 1530 CA ASP A 96 -4.165 -12.215 1.606 1.00 4.13 C ATOM 1531 C ASP A 96 -4.467 -11.134 2.639 1.00 22.30 C ATOM 1532 O ASP A 96 -3.799 -11.038 3.669 1.00 33.42 O ATOM 1533 CB ASP A 96 -5.388 -13.115 1.419 1.00 50.22 C ATOM 1534 CG ASP A 96 -5.456 -14.222 2.453 1.00 11.11 C ATOM 1535 OD1 ASP A 96 -5.915 -13.952 3.583 1.00 44.22 O ATOM 1536 OD2 ASP A 96 -5.052 -15.359 2.132 1.00 1.31 O ATOM 0 H ASP A 96 -2.654 -12.796 2.941 1.00 40.32 H new ATOM 0 HA ASP A 96 -3.931 -11.731 0.658 1.00 4.13 H new ATOM 0 HB2 ASP A 96 -6.293 -12.510 1.478 1.00 50.22 H new ATOM 0 HB3 ASP A 96 -5.363 -13.554 0.422 1.00 50.22 H new ATOM 1541 N THR A 97 -5.478 -10.319 2.356 1.00 2.34 N ATOM 1542 CA THR A 97 -5.868 -9.242 3.258 1.00 65.02 C ATOM 1543 C THR A 97 -6.098 -9.766 4.671 1.00 54.30 C ATOM 1544 O THR A 97 -5.449 -9.327 5.620 1.00 24.43 O ATOM 1545 CB THR A 97 -7.146 -8.534 2.770 1.00 21.22 C ATOM 1546 OG1 THR A 97 -6.933 -7.985 1.465 1.00 13.40 O ATOM 1547 CG2 THR A 97 -7.553 -7.429 3.732 1.00 2.42 C ATOM 0 H THR A 97 -6.042 -10.384 1.509 1.00 2.34 H new ATOM 0 HA THR A 97 -5.047 -8.525 3.268 1.00 65.02 H new ATOM 0 HB THR A 97 -7.949 -9.269 2.727 1.00 21.22 H new ATOM 0 HG1 THR A 97 -7.131 -8.665 0.788 1.00 13.40 H new ATOM 0 HG21 THR A 97 -8.458 -6.943 3.367 1.00 2.42 H new ATOM 0 HG22 THR A 97 -7.743 -7.856 4.717 1.00 2.42 H new ATOM 0 HG23 THR A 97 -6.751 -6.695 3.803 1.00 2.42 H new ATOM 1555 N LYS A 98 -7.028 -10.705 4.805 1.00 61.44 N ATOM 1556 CA LYS A 98 -7.344 -11.292 6.102 1.00 42.50 C ATOM 1557 C LYS A 98 -6.090 -11.852 6.766 1.00 73.03 C ATOM 1558 O LYS A 98 -5.779 -11.516 7.907 1.00 14.03 O ATOM 1559 CB LYS A 98 -8.389 -12.398 5.943 1.00 63.30 C ATOM 1560 CG LYS A 98 -8.741 -13.093 7.247 1.00 1.40 C ATOM 1561 CD LYS A 98 -9.494 -12.167 8.187 1.00 50.13 C ATOM 1562 CE LYS A 98 -10.993 -12.220 7.938 1.00 55.50 C ATOM 1563 NZ LYS A 98 -11.653 -13.281 8.747 1.00 22.21 N ATOM 0 H LYS A 98 -7.577 -11.077 4.030 1.00 61.44 H new ATOM 0 HA LYS A 98 -7.750 -10.507 6.739 1.00 42.50 H new ATOM 0 HB2 LYS A 98 -9.295 -11.971 5.512 1.00 63.30 H new ATOM 0 HB3 LYS A 98 -8.017 -13.139 5.235 1.00 63.30 H new ATOM 0 HG2 LYS A 98 -9.349 -13.974 7.038 1.00 1.40 H new ATOM 0 HG3 LYS A 98 -7.829 -13.442 7.732 1.00 1.40 H new ATOM 0 HD2 LYS A 98 -9.285 -12.447 9.220 1.00 50.13 H new ATOM 0 HD3 LYS A 98 -9.138 -11.145 8.055 1.00 50.13 H new ATOM 0 HE2 LYS A 98 -11.435 -11.253 8.178 1.00 55.50 H new ATOM 0 HE3 LYS A 98 -11.179 -12.402 6.880 1.00 55.50 H new ATOM 0 HZ1 LYS A 98 -12.674 -13.284 8.548 1.00 22.21 H new ATOM 0 HZ2 LYS A 98 -11.249 -14.207 8.500 1.00 22.21 H new ATOM 0 HZ3 LYS A 98 -11.498 -13.094 9.758 1.00 22.21 H new ATOM 1577 N GLU A 99 -5.374 -12.706 6.041 1.00 33.33 N ATOM 1578 CA GLU A 99 -4.153 -13.312 6.561 1.00 72.20 C ATOM 1579 C GLU A 99 -3.276 -12.268 7.244 1.00 2.24 C ATOM 1580 O GLU A 99 -2.699 -12.521 8.301 1.00 34.24 O ATOM 1581 CB GLU A 99 -3.373 -13.991 5.433 1.00 33.22 C ATOM 1582 CG GLU A 99 -3.422 -15.508 5.486 1.00 75.51 C ATOM 1583 CD GLU A 99 -2.044 -16.139 5.435 1.00 34.43 C ATOM 1584 OE1 GLU A 99 -1.086 -15.509 5.929 1.00 22.22 O ATOM 1585 OE2 GLU A 99 -1.924 -17.262 4.901 1.00 13.13 O ATOM 0 H GLU A 99 -5.618 -12.994 5.093 1.00 33.33 H new ATOM 0 HA GLU A 99 -4.436 -14.062 7.299 1.00 72.20 H new ATOM 0 HB2 GLU A 99 -3.771 -13.656 4.475 1.00 33.22 H new ATOM 0 HB3 GLU A 99 -2.333 -13.668 5.476 1.00 33.22 H new ATOM 0 HG2 GLU A 99 -3.926 -15.820 6.401 1.00 75.51 H new ATOM 0 HG3 GLU A 99 -4.018 -15.878 4.652 1.00 75.51 H new ATOM 1592 N ALA A 100 -3.179 -11.092 6.632 1.00 53.13 N ATOM 1593 CA ALA A 100 -2.375 -10.009 7.180 1.00 4.44 C ATOM 1594 C ALA A 100 -2.849 -9.625 8.579 1.00 64.23 C ATOM 1595 O ALA A 100 -2.057 -9.563 9.519 1.00 3.24 O ATOM 1596 CB ALA A 100 -2.416 -8.800 6.257 1.00 12.20 C ATOM 0 H ALA A 100 -3.649 -10.866 5.755 1.00 53.13 H new ATOM 0 HA ALA A 100 -1.345 -10.359 7.257 1.00 4.44 H new ATOM 0 HB1 ALA A 100 -1.810 -7.999 6.680 1.00 12.20 H new ATOM 0 HB2 ALA A 100 -2.021 -9.075 5.279 1.00 12.20 H new ATOM 0 HB3 ALA A 100 -3.446 -8.459 6.150 1.00 12.20 H new ATOM 1602 N LEU A 101 -4.146 -9.368 8.708 1.00 61.42 N ATOM 1603 CA LEU A 101 -4.726 -8.991 9.991 1.00 10.41 C ATOM 1604 C LEU A 101 -4.345 -9.991 11.077 1.00 15.34 C ATOM 1605 O LEU A 101 -3.746 -9.627 12.088 1.00 5.53 O ATOM 1606 CB LEU A 101 -6.249 -8.899 9.878 1.00 61.15 C ATOM 1607 CG LEU A 101 -6.825 -7.495 9.692 1.00 73.21 C ATOM 1608 CD1 LEU A 101 -6.425 -6.596 10.851 1.00 12.43 C ATOM 1609 CD2 LEU A 101 -6.364 -6.900 8.369 1.00 34.33 C ATOM 0 H LEU A 101 -4.815 -9.414 7.940 1.00 61.42 H new ATOM 0 HA LEU A 101 -4.329 -8.014 10.267 1.00 10.41 H new ATOM 0 HB2 LEU A 101 -6.569 -9.515 9.038 1.00 61.15 H new ATOM 0 HB3 LEU A 101 -6.687 -9.333 10.777 1.00 61.15 H new ATOM 0 HG LEU A 101 -7.912 -7.569 9.675 1.00 73.21 H new ATOM 0 HD11 LEU A 101 -6.844 -5.601 10.701 1.00 12.43 H new ATOM 0 HD12 LEU A 101 -6.805 -7.013 11.783 1.00 12.43 H new ATOM 0 HD13 LEU A 101 -5.338 -6.528 10.901 1.00 12.43 H new ATOM 0 HD21 LEU A 101 -6.784 -5.901 8.254 1.00 34.33 H new ATOM 0 HD22 LEU A 101 -5.276 -6.840 8.356 1.00 34.33 H new ATOM 0 HD23 LEU A 101 -6.702 -7.532 7.548 1.00 34.33 H new ATOM 1621 N ASP A 102 -4.696 -11.254 10.860 1.00 11.43 N ATOM 1622 CA ASP A 102 -4.388 -12.309 11.820 1.00 70.23 C ATOM 1623 C ASP A 102 -2.883 -12.428 12.030 1.00 2.35 C ATOM 1624 O ASP A 102 -2.426 -13.082 12.968 1.00 73.33 O ATOM 1625 CB ASP A 102 -4.956 -13.646 11.339 1.00 44.32 C ATOM 1626 CG ASP A 102 -6.393 -13.853 11.773 1.00 35.12 C ATOM 1627 OD1 ASP A 102 -7.301 -13.335 11.089 1.00 60.21 O ATOM 1628 OD2 ASP A 102 -6.611 -14.535 12.796 1.00 21.02 O ATOM 0 H ASP A 102 -5.194 -11.572 10.029 1.00 11.43 H new ATOM 0 HA ASP A 102 -4.850 -12.048 12.772 1.00 70.23 H new ATOM 0 HB2 ASP A 102 -4.898 -13.692 10.252 1.00 44.32 H new ATOM 0 HB3 ASP A 102 -4.342 -14.459 11.726 1.00 44.32 H new ATOM 1633 N LYS A 103 -2.114 -11.791 11.153 1.00 72.22 N ATOM 1634 CA LYS A 103 -0.660 -11.826 11.242 1.00 3.40 C ATOM 1635 C LYS A 103 -0.146 -10.726 12.167 1.00 50.33 C ATOM 1636 O LYS A 103 0.588 -10.995 13.117 1.00 2.43 O ATOM 1637 CB LYS A 103 -0.039 -11.669 9.852 1.00 51.21 C ATOM 1638 CG LYS A 103 0.789 -12.866 9.417 1.00 32.25 C ATOM 1639 CD LYS A 103 -0.093 -14.036 9.014 1.00 32.52 C ATOM 1640 CE LYS A 103 0.364 -15.331 9.670 1.00 13.31 C ATOM 1641 NZ LYS A 103 1.479 -15.969 8.918 1.00 31.23 N ATOM 0 H LYS A 103 -2.475 -11.244 10.372 1.00 72.22 H new ATOM 0 HA LYS A 103 -0.369 -12.791 11.656 1.00 3.40 H new ATOM 0 HB2 LYS A 103 -0.834 -11.504 9.125 1.00 51.21 H new ATOM 0 HB3 LYS A 103 0.591 -10.779 9.843 1.00 51.21 H new ATOM 0 HG2 LYS A 103 1.426 -12.584 8.579 1.00 32.25 H new ATOM 0 HG3 LYS A 103 1.448 -13.169 10.231 1.00 32.25 H new ATOM 0 HD2 LYS A 103 -1.125 -13.829 9.296 1.00 32.52 H new ATOM 0 HD3 LYS A 103 -0.075 -14.150 7.930 1.00 32.52 H new ATOM 0 HE2 LYS A 103 0.685 -15.127 10.692 1.00 13.31 H new ATOM 0 HE3 LYS A 103 -0.476 -16.023 9.731 1.00 13.31 H new ATOM 0 HZ1 LYS A 103 1.762 -16.848 9.396 1.00 31.23 H new ATOM 0 HZ2 LYS A 103 1.165 -16.187 7.951 1.00 31.23 H new ATOM 0 HZ3 LYS A 103 2.290 -15.319 8.881 1.00 31.23 H new