USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=18 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 54 SER OG : rot 130:sc= 0.934 USER MOD Set 1.2: A 90 GLN :FLIP amide:sc= -0.148 F(o=-0.31,f=0.79) USER MOD Set 2.1: A 29 TYR OH : rot 30:sc= -0.402 USER MOD Set 2.2: A 97 THR OG1 : rot -107:sc= -0.212 USER MOD Single : A 9 SER OG : rot 180:sc= -0.264 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= 0 X(o=0,f=-0.18) 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= -2.3! C(o=-2.3!,f=-10!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.613 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -14:sc= 0.583 USER MOD Single : A 57 CYS SG : rot 180:sc=-0.00826 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.222 X(o=-0.22,f=0.00064) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 92:sc= 0.321 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 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.899 USER MOD Single : A 80 ASN : amide:sc= -0.0524 K(o=-0.052,f=-1.7!) USER MOD Single : A 81 THR OG1 : rot 68:sc= 1.19 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 HIS : +bothHN:sc= -0.936! C(o=-0.94!,f=-5.6!) USER MOD Single : A 95 LYS NZ :NH3+ 154:sc= 0.665 (180deg=0.396) 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 9.540 5.508 -7.656 1.00 13.44 N ATOM 64 CA VAL A 7 9.065 6.146 -8.877 1.00 2.12 C ATOM 65 C VAL A 7 9.635 7.552 -9.021 1.00 23.33 C ATOM 66 O VAL A 7 10.081 7.946 -10.099 1.00 42.34 O ATOM 67 CB VAL A 7 7.526 6.222 -8.908 1.00 51.41 C ATOM 68 CG1 VAL A 7 7.058 7.119 -10.043 1.00 34.54 C ATOM 69 CG2 VAL A 7 6.927 4.830 -9.036 1.00 41.14 C ATOM 0 HA VAL A 7 9.409 5.532 -9.709 1.00 2.12 H new ATOM 0 HB VAL A 7 7.182 6.656 -7.969 1.00 51.41 H new ATOM 0 HG11 VAL A 7 5.969 7.160 -10.049 1.00 34.54 H new ATOM 0 HG12 VAL A 7 7.458 8.123 -9.902 1.00 34.54 H new ATOM 0 HG13 VAL A 7 7.411 6.718 -10.993 1.00 34.54 H new ATOM 0 HG21 VAL A 7 5.840 4.902 -9.056 1.00 41.14 H new ATOM 0 HG22 VAL A 7 7.277 4.367 -9.958 1.00 41.14 H new ATOM 0 HG23 VAL A 7 7.234 4.222 -8.185 1.00 41.14 H new ATOM 79 N LEU A 8 9.618 8.306 -7.927 1.00 45.34 N ATOM 80 CA LEU A 8 10.135 9.670 -7.930 1.00 23.12 C ATOM 81 C LEU A 8 11.389 9.779 -7.070 1.00 34.13 C ATOM 82 O LEU A 8 11.470 9.185 -5.995 1.00 14.43 O ATOM 83 CB LEU A 8 9.068 10.642 -7.421 1.00 4.21 C ATOM 84 CG LEU A 8 7.717 10.591 -8.137 1.00 40.24 C ATOM 85 CD1 LEU A 8 6.814 11.715 -7.654 1.00 13.23 C ATOM 86 CD2 LEU A 8 7.909 10.670 -9.644 1.00 55.25 C ATOM 0 H LEU A 8 9.252 7.996 -7.027 1.00 45.34 H new ATOM 0 HA LEU A 8 10.396 9.931 -8.956 1.00 23.12 H new ATOM 0 HB2 LEU A 8 8.903 10.446 -6.361 1.00 4.21 H new ATOM 0 HB3 LEU A 8 9.461 11.656 -7.501 1.00 4.21 H new ATOM 0 HG LEU A 8 7.238 9.641 -7.901 1.00 40.24 H new ATOM 0 HD11 LEU A 8 5.858 11.663 -8.174 1.00 13.23 H new ATOM 0 HD12 LEU A 8 6.649 11.614 -6.581 1.00 13.23 H new ATOM 0 HD13 LEU A 8 7.287 12.675 -7.860 1.00 13.23 H new ATOM 0 HD21 LEU A 8 6.938 10.632 -10.137 1.00 55.25 H new ATOM 0 HD22 LEU A 8 8.409 11.604 -9.899 1.00 55.25 H new ATOM 0 HD23 LEU A 8 8.518 9.830 -9.978 1.00 55.25 H new ATOM 98 N SER A 9 12.364 10.544 -7.549 1.00 34.30 N ATOM 99 CA SER A 9 13.617 10.731 -6.825 1.00 62.04 C ATOM 100 C SER A 9 13.511 11.899 -5.850 1.00 60.21 C ATOM 101 O SER A 9 12.465 12.536 -5.737 1.00 12.23 O ATOM 102 CB SER A 9 14.766 10.971 -7.805 1.00 63.22 C ATOM 103 OG SER A 9 14.634 12.228 -8.447 1.00 44.10 O ATOM 0 H SER A 9 12.311 11.045 -8.436 1.00 34.30 H new ATOM 0 HA SER A 9 13.819 9.823 -6.256 1.00 62.04 H new ATOM 0 HB2 SER A 9 15.717 10.929 -7.273 1.00 63.22 H new ATOM 0 HB3 SER A 9 14.783 10.177 -8.552 1.00 63.22 H new ATOM 0 HG SER A 9 15.381 12.359 -9.067 1.00 44.10 H new ATOM 109 N GLY A 10 14.606 12.174 -5.146 1.00 24.34 N ATOM 110 CA GLY A 10 14.616 13.265 -4.189 1.00 32.04 C ATOM 111 C GLY A 10 14.128 14.568 -4.789 1.00 64.31 C ATOM 112 O GLY A 10 13.370 15.305 -4.159 1.00 40.32 O ATOM 0 H GLY A 10 15.485 11.661 -5.222 1.00 24.34 H new ATOM 0 HA2 GLY A 10 13.988 13.003 -3.338 1.00 32.04 H new ATOM 0 HA3 GLY A 10 15.628 13.401 -3.808 1.00 32.04 H new ATOM 116 N GLY A 11 14.564 14.855 -6.012 1.00 75.31 N ATOM 117 CA GLY A 11 14.158 16.081 -6.676 1.00 51.52 C ATOM 118 C GLY A 11 12.711 16.043 -7.126 1.00 21.22 C ATOM 119 O GLY A 11 11.945 16.964 -6.845 1.00 22.23 O ATOM 0 H GLY A 11 15.191 14.261 -6.555 1.00 75.31 H new ATOM 0 HA2 GLY A 11 14.303 16.923 -5.999 1.00 51.52 H new ATOM 0 HA3 GLY A 11 14.800 16.253 -7.540 1.00 51.52 H new ATOM 123 N GLU A 12 12.338 14.978 -7.827 1.00 4.44 N ATOM 124 CA GLU A 12 10.973 14.827 -8.318 1.00 0.02 C ATOM 125 C GLU A 12 9.975 14.835 -7.163 1.00 32.22 C ATOM 126 O GLU A 12 8.907 15.442 -7.255 1.00 12.24 O ATOM 127 CB GLU A 12 10.835 13.528 -9.115 1.00 63.13 C ATOM 128 CG GLU A 12 11.918 13.341 -10.165 1.00 44.31 C ATOM 129 CD GLU A 12 11.742 12.062 -10.961 1.00 74.23 C ATOM 130 OE1 GLU A 12 12.053 10.980 -10.420 1.00 63.13 O ATOM 131 OE2 GLU A 12 11.297 12.143 -12.125 1.00 71.04 O ATOM 0 H GLU A 12 12.961 14.207 -8.068 1.00 4.44 H new ATOM 0 HA GLU A 12 10.754 15.672 -8.971 1.00 0.02 H new ATOM 0 HB2 GLU A 12 10.859 12.684 -8.426 1.00 63.13 H new ATOM 0 HB3 GLU A 12 9.861 13.513 -9.603 1.00 63.13 H new ATOM 0 HG2 GLU A 12 11.910 14.192 -10.846 1.00 44.31 H new ATOM 0 HG3 GLU A 12 12.893 13.331 -9.678 1.00 44.31 H new ATOM 138 N LEU A 13 10.331 14.159 -6.077 1.00 4.22 N ATOM 139 CA LEU A 13 9.468 14.087 -4.903 1.00 2.20 C ATOM 140 C LEU A 13 9.038 15.481 -4.456 1.00 71.34 C ATOM 141 O LEU A 13 7.866 15.717 -4.162 1.00 52.53 O ATOM 142 CB LEU A 13 10.187 13.372 -3.759 1.00 14.24 C ATOM 143 CG LEU A 13 9.292 12.747 -2.688 1.00 1.35 C ATOM 144 CD1 LEU A 13 10.123 11.941 -1.701 1.00 43.13 C ATOM 145 CD2 LEU A 13 8.496 13.823 -1.964 1.00 75.34 C ATOM 0 H LEU A 13 11.212 13.653 -5.985 1.00 4.22 H new ATOM 0 HA LEU A 13 8.577 13.521 -5.173 1.00 2.20 H new ATOM 0 HB2 LEU A 13 10.812 12.587 -4.184 1.00 14.24 H new ATOM 0 HB3 LEU A 13 10.855 14.085 -3.275 1.00 14.24 H new ATOM 0 HG LEU A 13 8.590 12.071 -3.177 1.00 1.35 H new ATOM 0 HD11 LEU A 13 9.469 11.504 -0.946 1.00 43.13 H new ATOM 0 HD12 LEU A 13 10.648 11.146 -2.231 1.00 43.13 H new ATOM 0 HD13 LEU A 13 10.849 12.595 -1.217 1.00 43.13 H new ATOM 0 HD21 LEU A 13 7.865 13.360 -1.206 1.00 75.34 H new ATOM 0 HD22 LEU A 13 9.181 14.524 -1.487 1.00 75.34 H new ATOM 0 HD23 LEU A 13 7.871 14.357 -2.680 1.00 75.34 H new ATOM 157 N ASP A 14 9.995 16.402 -4.411 1.00 33.32 N ATOM 158 CA ASP A 14 9.716 17.774 -4.004 1.00 20.34 C ATOM 159 C ASP A 14 8.766 18.450 -4.988 1.00 70.33 C ATOM 160 O ASP A 14 7.922 19.258 -4.598 1.00 52.40 O ATOM 161 CB ASP A 14 11.017 18.572 -3.900 1.00 23.43 C ATOM 162 CG ASP A 14 10.981 19.595 -2.782 1.00 5.45 C ATOM 163 OD1 ASP A 14 10.500 19.253 -1.680 1.00 51.00 O ATOM 164 OD2 ASP A 14 11.433 20.736 -3.007 1.00 33.14 O ATOM 0 H ASP A 14 10.970 16.223 -4.651 1.00 33.32 H new ATOM 0 HA ASP A 14 9.237 17.747 -3.025 1.00 20.34 H new ATOM 0 HB2 ASP A 14 11.848 17.886 -3.735 1.00 23.43 H new ATOM 0 HB3 ASP A 14 11.206 19.079 -4.846 1.00 23.43 H new ATOM 169 N LYS A 15 8.911 18.117 -6.266 1.00 55.10 N ATOM 170 CA LYS A 15 8.068 18.691 -7.307 1.00 64.03 C ATOM 171 C LYS A 15 6.689 18.039 -7.312 1.00 11.14 C ATOM 172 O LYS A 15 5.724 18.608 -7.824 1.00 11.31 O ATOM 173 CB LYS A 15 8.727 18.522 -8.678 1.00 61.31 C ATOM 174 CG LYS A 15 9.990 19.349 -8.851 1.00 71.02 C ATOM 175 CD LYS A 15 11.028 18.613 -9.681 1.00 42.11 C ATOM 176 CE LYS A 15 12.334 19.389 -9.756 1.00 52.01 C ATOM 177 NZ LYS A 15 12.728 19.679 -11.163 1.00 1.41 N ATOM 0 H LYS A 15 9.605 17.452 -6.606 1.00 55.10 H new ATOM 0 HA LYS A 15 7.948 19.754 -7.096 1.00 64.03 H new ATOM 0 HB2 LYS A 15 8.968 17.470 -8.829 1.00 61.31 H new ATOM 0 HB3 LYS A 15 8.012 18.799 -9.452 1.00 61.31 H new ATOM 0 HG2 LYS A 15 9.743 20.296 -9.331 1.00 71.02 H new ATOM 0 HG3 LYS A 15 10.407 19.587 -7.873 1.00 71.02 H new ATOM 0 HD2 LYS A 15 11.212 17.630 -9.247 1.00 42.11 H new ATOM 0 HD3 LYS A 15 10.642 18.450 -10.687 1.00 42.11 H new ATOM 0 HE2 LYS A 15 12.232 20.325 -9.207 1.00 52.01 H new ATOM 0 HE3 LYS A 15 13.124 18.818 -9.268 1.00 52.01 H new ATOM 0 HZ1 LYS A 15 13.623 20.209 -11.171 1.00 1.41 H new ATOM 0 HZ2 LYS A 15 12.850 18.785 -11.680 1.00 1.41 H new ATOM 0 HZ3 LYS A 15 11.986 20.246 -11.621 1.00 1.41 H new ATOM 191 N TRP A 16 6.603 16.844 -6.737 1.00 32.23 N ATOM 192 CA TRP A 16 5.341 16.116 -6.673 1.00 62.20 C ATOM 193 C TRP A 16 4.424 16.708 -5.608 1.00 41.51 C ATOM 194 O TRP A 16 3.239 16.935 -5.854 1.00 52.00 O ATOM 195 CB TRP A 16 5.596 14.637 -6.379 1.00 41.24 C ATOM 196 CG TRP A 16 4.345 13.864 -6.090 1.00 13.20 C ATOM 197 CD1 TRP A 16 3.905 13.444 -4.867 1.00 12.01 C ATOM 198 CD2 TRP A 16 3.374 13.418 -7.043 1.00 22.21 C ATOM 199 NE1 TRP A 16 2.719 12.763 -5.002 1.00 72.12 N ATOM 200 CE2 TRP A 16 2.371 12.734 -6.327 1.00 35.12 C ATOM 201 CE3 TRP A 16 3.252 13.531 -8.430 1.00 51.22 C ATOM 202 CZ2 TRP A 16 1.265 12.167 -6.954 1.00 14.12 C ATOM 203 CZ3 TRP A 16 2.154 12.967 -9.051 1.00 15.34 C ATOM 204 CH2 TRP A 16 1.172 12.292 -8.313 1.00 74.51 C ATOM 0 H TRP A 16 7.392 16.359 -6.309 1.00 32.23 H new ATOM 0 HA TRP A 16 4.848 16.207 -7.641 1.00 62.20 H new ATOM 0 HB2 TRP A 16 6.104 14.187 -7.232 1.00 41.24 H new ATOM 0 HB3 TRP A 16 6.270 14.554 -5.527 1.00 41.24 H new ATOM 0 HD1 TRP A 16 4.414 13.621 -3.931 1.00 12.01 H new ATOM 0 HE1 TRP A 16 2.184 12.347 -4.240 1.00 72.12 H new ATOM 0 HE3 TRP A 16 4.003 14.050 -9.007 1.00 51.22 H new ATOM 0 HZ2 TRP A 16 0.507 11.647 -6.387 1.00 14.12 H new ATOM 0 HZ3 TRP A 16 2.051 13.048 -10.123 1.00 15.34 H new ATOM 0 HH2 TRP A 16 0.325 11.862 -8.827 1.00 74.51 H new ATOM 215 N GLU A 17 4.979 16.956 -4.426 1.00 50.42 N ATOM 216 CA GLU A 17 4.209 17.520 -3.325 1.00 24.31 C ATOM 217 C GLU A 17 3.803 18.960 -3.626 1.00 54.04 C ATOM 218 O GLU A 17 2.996 19.554 -2.911 1.00 1.54 O ATOM 219 CB GLU A 17 5.018 17.468 -2.027 1.00 71.55 C ATOM 220 CG GLU A 17 4.897 16.146 -1.287 1.00 71.11 C ATOM 221 CD GLU A 17 4.896 16.319 0.219 1.00 35.52 C ATOM 222 OE1 GLU A 17 5.694 17.138 0.722 1.00 34.33 O ATOM 223 OE2 GLU A 17 4.098 15.636 0.895 1.00 31.52 O ATOM 0 H GLU A 17 5.959 16.775 -4.207 1.00 50.42 H new ATOM 0 HA GLU A 17 3.305 16.923 -3.205 1.00 24.31 H new ATOM 0 HB2 GLU A 17 6.068 17.652 -2.255 1.00 71.55 H new ATOM 0 HB3 GLU A 17 4.688 18.274 -1.371 1.00 71.55 H new ATOM 0 HG2 GLU A 17 3.978 15.646 -1.592 1.00 71.11 H new ATOM 0 HG3 GLU A 17 5.724 15.496 -1.574 1.00 71.11 H new ATOM 230 N LYS A 18 4.370 19.518 -4.692 1.00 2.44 N ATOM 231 CA LYS A 18 4.069 20.887 -5.091 1.00 1.35 C ATOM 232 C LYS A 18 2.667 20.986 -5.682 1.00 4.30 C ATOM 233 O LYS A 18 1.754 21.520 -5.051 1.00 65.14 O ATOM 234 CB LYS A 18 5.100 21.381 -6.108 1.00 64.32 C ATOM 235 CG LYS A 18 5.986 22.497 -5.582 1.00 52.14 C ATOM 236 CD LYS A 18 7.443 22.271 -5.951 1.00 2.12 C ATOM 237 CE LYS A 18 8.363 23.213 -5.190 1.00 60.10 C ATOM 238 NZ LYS A 18 9.204 24.030 -6.109 1.00 23.45 N ATOM 0 H LYS A 18 5.041 19.042 -5.295 1.00 2.44 H new ATOM 0 HA LYS A 18 4.114 21.517 -4.202 1.00 1.35 H new ATOM 0 HB2 LYS A 18 5.727 20.543 -6.413 1.00 64.32 H new ATOM 0 HB3 LYS A 18 4.580 21.731 -7.000 1.00 64.32 H new ATOM 0 HG2 LYS A 18 5.650 23.451 -5.988 1.00 52.14 H new ATOM 0 HG3 LYS A 18 5.889 22.560 -4.498 1.00 52.14 H new ATOM 0 HD2 LYS A 18 7.718 21.239 -5.735 1.00 2.12 H new ATOM 0 HD3 LYS A 18 7.575 22.419 -7.023 1.00 2.12 H new ATOM 0 HE2 LYS A 18 7.766 23.873 -4.560 1.00 60.10 H new ATOM 0 HE3 LYS A 18 9.006 22.635 -4.526 1.00 60.10 H new ATOM 0 HZ1 LYS A 18 9.817 24.659 -5.552 1.00 23.45 H new ATOM 0 HZ2 LYS A 18 9.792 23.401 -6.692 1.00 23.45 H new ATOM 0 HZ3 LYS A 18 8.591 24.601 -6.725 1.00 23.45 H new ATOM 252 N ILE A 19 2.503 20.466 -6.894 1.00 20.43 N ATOM 253 CA ILE A 19 1.210 20.495 -7.568 1.00 15.53 C ATOM 254 C ILE A 19 0.085 20.114 -6.613 1.00 64.53 C ATOM 255 O ILE A 19 0.275 19.309 -5.702 1.00 4.33 O ATOM 256 CB ILE A 19 1.187 19.542 -8.778 1.00 63.41 C ATOM 257 CG1 ILE A 19 2.305 19.901 -9.759 1.00 44.21 C ATOM 258 CG2 ILE A 19 -0.169 19.597 -9.468 1.00 53.12 C ATOM 259 CD1 ILE A 19 2.886 18.702 -10.476 1.00 34.21 C ATOM 0 H ILE A 19 3.248 20.020 -7.429 1.00 20.43 H new ATOM 0 HA ILE A 19 1.057 21.516 -7.917 1.00 15.53 H new ATOM 0 HB ILE A 19 1.353 18.524 -8.425 1.00 63.41 H new ATOM 0 HG12 ILE A 19 1.918 20.604 -10.497 1.00 44.21 H new ATOM 0 HG13 ILE A 19 3.102 20.413 -9.219 1.00 44.21 H new ATOM 0 HG21 ILE A 19 -0.171 18.919 -10.321 1.00 53.12 H new ATOM 0 HG22 ILE A 19 -0.947 19.299 -8.765 1.00 53.12 H new ATOM 0 HG23 ILE A 19 -0.361 20.613 -9.812 1.00 53.12 H new ATOM 0 HD11 ILE A 19 3.673 19.030 -11.155 1.00 34.21 H new ATOM 0 HD12 ILE A 19 3.303 18.008 -9.746 1.00 34.21 H new ATOM 0 HD13 ILE A 19 2.101 18.202 -11.044 1.00 34.21 H new ATOM 271 N ARG A 20 -1.090 20.697 -6.830 1.00 73.23 N ATOM 272 CA ARG A 20 -2.248 20.420 -5.989 1.00 42.34 C ATOM 273 C ARG A 20 -3.328 19.683 -6.776 1.00 54.45 C ATOM 274 O ARG A 20 -3.334 19.702 -8.009 1.00 2.51 O ATOM 275 CB ARG A 20 -2.816 21.721 -5.420 1.00 3.45 C ATOM 276 CG ARG A 20 -1.840 22.473 -4.529 1.00 25.21 C ATOM 277 CD ARG A 20 -1.823 23.959 -4.854 1.00 54.34 C ATOM 278 NE ARG A 20 -1.480 24.769 -3.688 1.00 53.04 N ATOM 279 CZ ARG A 20 -1.123 26.047 -3.761 1.00 1.32 C ATOM 280 NH1 ARG A 20 -1.064 26.656 -4.937 1.00 1.21 N ATOM 281 NH2 ARG A 20 -0.826 26.718 -2.655 1.00 52.20 N ATOM 0 H ARG A 20 -1.265 21.364 -7.581 1.00 73.23 H new ATOM 0 HA ARG A 20 -1.923 19.783 -5.166 1.00 42.34 H new ATOM 0 HB2 ARG A 20 -3.115 22.368 -6.244 1.00 3.45 H new ATOM 0 HB3 ARG A 20 -3.717 21.495 -4.849 1.00 3.45 H new ATOM 0 HG2 ARG A 20 -2.115 22.331 -3.484 1.00 25.21 H new ATOM 0 HG3 ARG A 20 -0.839 22.060 -4.654 1.00 25.21 H new ATOM 0 HD2 ARG A 20 -1.104 24.148 -5.651 1.00 54.34 H new ATOM 0 HD3 ARG A 20 -2.801 24.259 -5.229 1.00 54.34 H new ATOM 0 HE ARG A 20 -1.516 24.330 -2.768 1.00 53.04 H new ATOM 0 HH11 ARG A 20 -1.293 26.144 -5.789 1.00 1.21 H new ATOM 0 HH12 ARG A 20 -0.790 27.637 -4.990 1.00 1.21 H new ATOM 0 HH21 ARG A 20 -0.872 26.253 -1.748 1.00 52.20 H new ATOM 0 HH22 ARG A 20 -0.552 27.699 -2.712 1.00 52.20 H new ATOM 295 N LEU A 21 -4.237 19.033 -6.059 1.00 5.02 N ATOM 296 CA LEU A 21 -5.321 18.289 -6.690 1.00 43.23 C ATOM 297 C LEU A 21 -6.286 19.231 -7.403 1.00 24.21 C ATOM 298 O LEU A 21 -6.759 18.938 -8.501 1.00 33.35 O ATOM 299 CB LEU A 21 -6.075 17.463 -5.646 1.00 61.42 C ATOM 300 CG LEU A 21 -5.216 16.589 -4.733 1.00 72.42 C ATOM 301 CD1 LEU A 21 -5.924 16.340 -3.410 1.00 13.21 C ATOM 302 CD2 LEU A 21 -4.881 15.272 -5.417 1.00 40.21 C ATOM 0 H LEU A 21 -4.245 19.006 -5.039 1.00 5.02 H new ATOM 0 HA LEU A 21 -4.885 17.618 -7.430 1.00 43.23 H new ATOM 0 HB2 LEU A 21 -6.655 18.144 -5.023 1.00 61.42 H new ATOM 0 HB3 LEU A 21 -6.787 16.821 -6.165 1.00 61.42 H new ATOM 0 HG LEU A 21 -4.284 17.117 -4.529 1.00 72.42 H new ATOM 0 HD11 LEU A 21 -5.297 15.716 -2.773 1.00 13.21 H new ATOM 0 HD12 LEU A 21 -6.112 17.292 -2.913 1.00 13.21 H new ATOM 0 HD13 LEU A 21 -6.872 15.834 -3.594 1.00 13.21 H new ATOM 0 HD21 LEU A 21 -4.269 14.662 -4.752 1.00 40.21 H new ATOM 0 HD22 LEU A 21 -5.802 14.739 -5.652 1.00 40.21 H new ATOM 0 HD23 LEU A 21 -4.331 15.469 -6.337 1.00 40.21 H new ATOM 314 N ARG A 22 -6.572 20.366 -6.772 1.00 14.34 N ATOM 315 CA ARG A 22 -7.479 21.352 -7.345 1.00 44.05 C ATOM 316 C ARG A 22 -6.745 22.656 -7.645 1.00 42.02 C ATOM 317 O ARG A 22 -5.692 22.949 -7.079 1.00 53.31 O ATOM 318 CB ARG A 22 -8.647 21.618 -6.394 1.00 52.52 C ATOM 319 CG ARG A 22 -9.938 20.930 -6.807 1.00 33.35 C ATOM 320 CD ARG A 22 -10.729 20.459 -5.596 1.00 50.50 C ATOM 321 NE ARG A 22 -12.169 20.580 -5.802 1.00 71.54 N ATOM 322 CZ ARG A 22 -12.885 19.719 -6.517 1.00 25.24 C ATOM 323 NH1 ARG A 22 -12.298 18.678 -7.089 1.00 74.22 N ATOM 324 NH2 ARG A 22 -14.192 19.899 -6.658 1.00 61.14 N ATOM 0 H ARG A 22 -6.188 20.625 -5.863 1.00 14.34 H new ATOM 0 HA ARG A 22 -7.867 20.950 -8.281 1.00 44.05 H new ATOM 0 HB2 ARG A 22 -8.372 21.286 -5.393 1.00 52.52 H new ATOM 0 HB3 ARG A 22 -8.820 22.693 -6.337 1.00 52.52 H new ATOM 0 HG2 ARG A 22 -10.546 21.617 -7.396 1.00 33.35 H new ATOM 0 HG3 ARG A 22 -9.709 20.078 -7.448 1.00 33.35 H new ATOM 0 HD2 ARG A 22 -10.480 19.420 -5.382 1.00 50.50 H new ATOM 0 HD3 ARG A 22 -10.437 21.043 -4.723 1.00 50.50 H new ATOM 0 HE ARG A 22 -12.652 21.369 -5.373 1.00 71.54 H new ATOM 0 HH11 ARG A 22 -11.294 18.536 -6.981 1.00 74.22 H new ATOM 0 HH12 ARG A 22 -12.850 18.019 -7.637 1.00 74.22 H new ATOM 0 HH21 ARG A 22 -14.647 20.698 -6.217 1.00 61.14 H new ATOM 0 HH22 ARG A 22 -14.742 19.238 -7.207 1.00 61.14 H new ATOM 338 N PRO A 23 -7.314 23.460 -8.557 1.00 3.45 N ATOM 339 CA PRO A 23 -6.731 24.745 -8.952 1.00 4.35 C ATOM 340 C PRO A 23 -6.814 25.785 -7.840 1.00 30.22 C ATOM 341 O PRO A 23 -5.870 26.541 -7.613 1.00 24.23 O ATOM 342 CB PRO A 23 -7.588 25.170 -10.147 1.00 22.11 C ATOM 343 CG PRO A 23 -8.892 24.481 -9.943 1.00 4.11 C ATOM 344 CD PRO A 23 -8.570 23.175 -9.272 1.00 11.31 C ATOM 0 HA PRO A 23 -5.669 24.658 -9.181 1.00 4.35 H new ATOM 0 HB2 PRO A 23 -7.713 26.252 -10.179 1.00 22.11 H new ATOM 0 HB3 PRO A 23 -7.127 24.874 -11.090 1.00 22.11 H new ATOM 0 HG2 PRO A 23 -9.559 25.083 -9.326 1.00 4.11 H new ATOM 0 HG3 PRO A 23 -9.399 24.317 -10.894 1.00 4.11 H new ATOM 0 HD2 PRO A 23 -9.361 22.869 -8.588 1.00 11.31 H new ATOM 0 HD3 PRO A 23 -8.446 22.370 -9.997 1.00 11.31 H new ATOM 352 N GLY A 24 -7.950 25.817 -7.150 1.00 34.24 N ATOM 353 CA GLY A 24 -8.134 26.769 -6.069 1.00 13.32 C ATOM 354 C GLY A 24 -8.248 26.095 -4.716 1.00 72.13 C ATOM 355 O GLY A 24 -9.072 26.483 -3.889 1.00 13.05 O ATOM 0 H GLY A 24 -8.746 25.202 -7.320 1.00 34.24 H new ATOM 0 HA2 GLY A 24 -7.295 27.465 -6.055 1.00 13.32 H new ATOM 0 HA3 GLY A 24 -9.033 27.357 -6.256 1.00 13.32 H new ATOM 359 N GLY A 25 -7.420 25.080 -4.490 1.00 42.43 N ATOM 360 CA GLY A 25 -7.448 24.365 -3.228 1.00 4.42 C ATOM 361 C GLY A 25 -6.168 24.537 -2.434 1.00 64.41 C ATOM 362 O GLY A 25 -5.192 25.098 -2.931 1.00 32.40 O ATOM 0 H GLY A 25 -6.730 24.740 -5.159 1.00 42.43 H new ATOM 0 HA2 GLY A 25 -8.291 24.717 -2.633 1.00 4.42 H new ATOM 0 HA3 GLY A 25 -7.614 23.305 -3.419 1.00 4.42 H new ATOM 366 N LYS A 26 -6.172 24.054 -1.197 1.00 21.13 N ATOM 367 CA LYS A 26 -5.002 24.157 -0.332 1.00 43.20 C ATOM 368 C LYS A 26 -4.369 22.788 -0.107 1.00 2.20 C ATOM 369 O LYS A 26 -3.394 22.657 0.631 1.00 75.20 O ATOM 370 CB LYS A 26 -5.391 24.778 1.012 1.00 34.34 C ATOM 371 CG LYS A 26 -4.386 25.796 1.524 1.00 3.33 C ATOM 372 CD LYS A 26 -5.003 26.713 2.567 1.00 2.25 C ATOM 373 CE LYS A 26 -3.941 27.514 3.304 1.00 63.51 C ATOM 374 NZ LYS A 26 -4.493 28.188 4.511 1.00 14.45 N ATOM 0 H LYS A 26 -6.972 23.587 -0.770 1.00 21.13 H new ATOM 0 HA LYS A 26 -4.271 24.798 -0.825 1.00 43.20 H new ATOM 0 HB2 LYS A 26 -6.364 25.259 0.913 1.00 34.34 H new ATOM 0 HB3 LYS A 26 -5.501 23.985 1.751 1.00 34.34 H new ATOM 0 HG2 LYS A 26 -3.529 25.278 1.955 1.00 3.33 H new ATOM 0 HG3 LYS A 26 -4.013 26.391 0.690 1.00 3.33 H new ATOM 0 HD2 LYS A 26 -5.704 27.394 2.085 1.00 2.25 H new ATOM 0 HD3 LYS A 26 -5.574 26.120 3.282 1.00 2.25 H new ATOM 0 HE2 LYS A 26 -3.126 26.852 3.598 1.00 63.51 H new ATOM 0 HE3 LYS A 26 -3.518 28.261 2.632 1.00 63.51 H new ATOM 0 HZ1 LYS A 26 -3.738 28.723 4.985 1.00 14.45 H new ATOM 0 HZ2 LYS A 26 -5.254 28.838 4.228 1.00 14.45 H new ATOM 0 HZ3 LYS A 26 -4.874 27.474 5.164 1.00 14.45 H new ATOM 388 N LYS A 27 -4.930 21.769 -0.750 1.00 24.41 N ATOM 389 CA LYS A 27 -4.419 20.410 -0.624 1.00 44.50 C ATOM 390 C LYS A 27 -3.447 20.086 -1.754 1.00 1.12 C ATOM 391 O LYS A 27 -3.785 20.216 -2.930 1.00 74.21 O ATOM 392 CB LYS A 27 -5.576 19.406 -0.629 1.00 33.23 C ATOM 393 CG LYS A 27 -5.477 18.359 0.468 1.00 62.31 C ATOM 394 CD LYS A 27 -6.783 18.231 1.234 1.00 12.03 C ATOM 395 CE LYS A 27 -7.171 16.773 1.432 1.00 13.13 C ATOM 396 NZ LYS A 27 -6.231 16.068 2.348 1.00 23.11 N ATOM 0 H LYS A 27 -5.739 21.859 -1.364 1.00 24.41 H new ATOM 0 HA LYS A 27 -3.885 20.336 0.323 1.00 44.50 H new ATOM 0 HB2 LYS A 27 -6.516 19.947 -0.520 1.00 33.23 H new ATOM 0 HB3 LYS A 27 -5.607 18.905 -1.596 1.00 33.23 H new ATOM 0 HG2 LYS A 27 -5.214 17.396 0.031 1.00 62.31 H new ATOM 0 HG3 LYS A 27 -4.675 18.626 1.156 1.00 62.31 H new ATOM 0 HD2 LYS A 27 -6.687 18.718 2.204 1.00 12.03 H new ATOM 0 HD3 LYS A 27 -7.575 18.750 0.694 1.00 12.03 H new ATOM 0 HE2 LYS A 27 -8.182 16.718 1.836 1.00 13.13 H new ATOM 0 HE3 LYS A 27 -7.186 16.267 0.467 1.00 13.13 H new ATOM 0 HZ1 LYS A 27 -6.530 15.078 2.457 1.00 23.11 H new ATOM 0 HZ2 LYS A 27 -5.271 16.098 1.950 1.00 23.11 H new ATOM 0 HZ3 LYS A 27 -6.236 16.535 3.277 1.00 23.11 H new ATOM 410 N GLN A 28 -2.241 19.664 -1.388 1.00 44.54 N ATOM 411 CA GLN A 28 -1.221 19.321 -2.372 1.00 22.51 C ATOM 412 C GLN A 28 -1.175 17.815 -2.606 1.00 40.13 C ATOM 413 O GLN A 28 -1.937 17.059 -2.004 1.00 64.00 O ATOM 414 CB GLN A 28 0.149 19.821 -1.912 1.00 54.50 C ATOM 415 CG GLN A 28 0.109 21.191 -1.256 1.00 11.35 C ATOM 416 CD GLN A 28 1.486 21.694 -0.870 1.00 60.24 C ATOM 417 OE1 GLN A 28 2.311 20.942 -0.350 1.00 75.22 O ATOM 418 NE2 GLN A 28 1.742 22.973 -1.123 1.00 4.25 N ATOM 0 H GLN A 28 -1.946 19.551 -0.418 1.00 44.54 H new ATOM 0 HA GLN A 28 -1.480 19.808 -3.312 1.00 22.51 H new ATOM 0 HB2 GLN A 28 0.571 19.103 -1.209 1.00 54.50 H new ATOM 0 HB3 GLN A 28 0.820 19.858 -2.770 1.00 54.50 H new ATOM 0 HG2 GLN A 28 -0.355 21.903 -1.938 1.00 11.35 H new ATOM 0 HG3 GLN A 28 -0.519 21.145 -0.367 1.00 11.35 H new ATOM 0 HE21 GLN A 28 1.029 23.560 -1.555 1.00 4.25 H new ATOM 0 HE22 GLN A 28 2.652 23.368 -0.885 1.00 4.25 H new ATOM 427 N TYR A 29 -0.276 17.386 -3.486 1.00 25.21 N ATOM 428 CA TYR A 29 -0.133 15.969 -3.802 1.00 35.33 C ATOM 429 C TYR A 29 0.739 15.266 -2.766 1.00 61.01 C ATOM 430 O TYR A 29 1.690 15.845 -2.240 1.00 61.32 O ATOM 431 CB TYR A 29 0.471 15.796 -5.196 1.00 51.24 C ATOM 432 CG TYR A 29 -0.555 15.515 -6.270 1.00 62.22 C ATOM 433 CD1 TYR A 29 -1.218 14.295 -6.322 1.00 63.32 C ATOM 434 CD2 TYR A 29 -0.861 16.469 -7.234 1.00 51.41 C ATOM 435 CE1 TYR A 29 -2.157 14.034 -7.303 1.00 13.45 C ATOM 436 CE2 TYR A 29 -1.798 16.215 -8.216 1.00 21.34 C ATOM 437 CZ TYR A 29 -2.444 14.997 -8.247 1.00 33.23 C ATOM 438 OH TYR A 29 -3.377 14.741 -9.224 1.00 65.33 O ATOM 0 H TYR A 29 0.364 17.998 -3.992 1.00 25.21 H new ATOM 0 HA TYR A 29 -1.124 15.516 -3.784 1.00 35.33 H new ATOM 0 HB2 TYR A 29 1.022 16.699 -5.459 1.00 51.24 H new ATOM 0 HB3 TYR A 29 1.192 14.979 -5.171 1.00 51.24 H new ATOM 0 HD1 TYR A 29 -0.996 13.538 -5.584 1.00 63.32 H new ATOM 0 HD2 TYR A 29 -0.358 17.424 -7.214 1.00 51.41 H new ATOM 0 HE1 TYR A 29 -2.663 13.080 -7.330 1.00 13.45 H new ATOM 0 HE2 TYR A 29 -2.024 16.967 -8.957 1.00 21.34 H new ATOM 0 HH TYR A 29 -4.050 14.118 -8.878 1.00 65.33 H new ATOM 448 N LYS A 30 0.408 14.012 -2.479 1.00 1.55 N ATOM 449 CA LYS A 30 1.160 13.225 -1.508 1.00 33.32 C ATOM 450 C LYS A 30 1.293 11.777 -1.967 1.00 33.31 C ATOM 451 O LYS A 30 0.633 11.352 -2.915 1.00 64.35 O ATOM 452 CB LYS A 30 0.476 13.277 -0.140 1.00 11.22 C ATOM 453 CG LYS A 30 0.974 14.405 0.748 1.00 42.23 C ATOM 454 CD LYS A 30 -0.003 15.569 0.769 1.00 72.03 C ATOM 455 CE LYS A 30 -0.779 15.621 2.076 1.00 51.14 C ATOM 456 NZ LYS A 30 -1.099 17.019 2.474 1.00 24.45 N ATOM 0 H LYS A 30 -0.376 13.518 -2.905 1.00 1.55 H new ATOM 0 HA LYS A 30 2.159 13.654 -1.425 1.00 33.32 H new ATOM 0 HB2 LYS A 30 -0.599 13.387 -0.285 1.00 11.22 H new ATOM 0 HB3 LYS A 30 0.633 12.327 0.371 1.00 11.22 H new ATOM 0 HG2 LYS A 30 1.121 14.033 1.762 1.00 42.23 H new ATOM 0 HG3 LYS A 30 1.945 14.749 0.391 1.00 42.23 H new ATOM 0 HD2 LYS A 30 0.540 16.504 0.629 1.00 72.03 H new ATOM 0 HD3 LYS A 30 -0.699 15.477 -0.065 1.00 72.03 H new ATOM 0 HE2 LYS A 30 -1.703 15.052 1.973 1.00 51.14 H new ATOM 0 HE3 LYS A 30 -0.197 15.143 2.864 1.00 51.14 H new ATOM 0 HZ1 LYS A 30 -1.628 17.013 3.369 1.00 24.45 H new ATOM 0 HZ2 LYS A 30 -0.217 17.556 2.597 1.00 24.45 H new ATOM 0 HZ3 LYS A 30 -1.676 17.467 1.734 1.00 24.45 H new ATOM 470 N LEU A 31 2.151 11.023 -1.289 1.00 3.33 N ATOM 471 CA LEU A 31 2.370 9.621 -1.626 1.00 54.12 C ATOM 472 C LEU A 31 1.045 8.872 -1.727 1.00 0.42 C ATOM 473 O LEU A 31 0.867 8.015 -2.594 1.00 71.11 O ATOM 474 CB LEU A 31 3.266 8.957 -0.579 1.00 31.12 C ATOM 475 CG LEU A 31 4.661 8.544 -1.053 1.00 24.52 C ATOM 476 CD1 LEU A 31 4.562 7.549 -2.198 1.00 14.32 C ATOM 477 CD2 LEU A 31 5.463 9.767 -1.474 1.00 31.40 C ATOM 0 H LEU A 31 2.707 11.359 -0.502 1.00 3.33 H new ATOM 0 HA LEU A 31 2.865 9.580 -2.596 1.00 54.12 H new ATOM 0 HB2 LEU A 31 3.378 9.642 0.261 1.00 31.12 H new ATOM 0 HB3 LEU A 31 2.755 8.071 -0.202 1.00 31.12 H new ATOM 0 HG LEU A 31 5.179 8.062 -0.224 1.00 24.52 H new ATOM 0 HD11 LEU A 31 5.564 7.267 -2.522 1.00 14.32 H new ATOM 0 HD12 LEU A 31 4.025 6.661 -1.863 1.00 14.32 H new ATOM 0 HD13 LEU A 31 4.026 8.005 -3.031 1.00 14.32 H new ATOM 0 HD21 LEU A 31 6.453 9.456 -1.808 1.00 31.40 H new ATOM 0 HD22 LEU A 31 4.948 10.277 -2.289 1.00 31.40 H new ATOM 0 HD23 LEU A 31 5.563 10.446 -0.627 1.00 31.40 H new ATOM 489 N LYS A 32 0.117 9.201 -0.836 1.00 44.21 N ATOM 490 CA LYS A 32 -1.195 8.562 -0.825 1.00 51.01 C ATOM 491 C LYS A 32 -1.773 8.483 -2.234 1.00 24.01 C ATOM 492 O LYS A 32 -2.519 7.559 -2.559 1.00 10.14 O ATOM 493 CB LYS A 32 -2.152 9.331 0.088 1.00 60.51 C ATOM 494 CG LYS A 32 -2.939 8.440 1.033 1.00 62.22 C ATOM 495 CD LYS A 32 -2.497 8.626 2.474 1.00 32.44 C ATOM 496 CE LYS A 32 -1.122 8.021 2.718 1.00 63.10 C ATOM 497 NZ LYS A 32 -1.113 7.129 3.910 1.00 73.44 N ATOM 0 H LYS A 32 0.248 9.907 -0.111 1.00 44.21 H new ATOM 0 HA LYS A 32 -1.075 7.548 -0.443 1.00 51.01 H new ATOM 0 HB2 LYS A 32 -1.582 10.052 0.673 1.00 60.51 H new ATOM 0 HB3 LYS A 32 -2.849 9.900 -0.527 1.00 60.51 H new ATOM 0 HG2 LYS A 32 -4.002 8.665 0.946 1.00 62.22 H new ATOM 0 HG3 LYS A 32 -2.809 7.397 0.744 1.00 62.22 H new ATOM 0 HD2 LYS A 32 -2.476 9.689 2.715 1.00 32.44 H new ATOM 0 HD3 LYS A 32 -3.223 8.162 3.141 1.00 32.44 H new ATOM 0 HE2 LYS A 32 -0.813 7.456 1.839 1.00 63.10 H new ATOM 0 HE3 LYS A 32 -0.393 8.820 2.856 1.00 63.10 H new ATOM 0 HZ1 LYS A 32 -0.159 6.737 4.043 1.00 73.44 H new ATOM 0 HZ2 LYS A 32 -1.384 7.674 4.753 1.00 73.44 H new ATOM 0 HZ3 LYS A 32 -1.790 6.353 3.768 1.00 73.44 H new ATOM 511 N HIS A 33 -1.423 9.457 -3.069 1.00 54.40 N ATOM 512 CA HIS A 33 -1.905 9.497 -4.444 1.00 62.34 C ATOM 513 C HIS A 33 -1.102 8.546 -5.329 1.00 4.12 C ATOM 514 O HIS A 33 -1.721 7.914 -6.186 1.00 35.11 O ATOM 515 CB HIS A 33 -1.818 10.919 -4.998 1.00 22.32 C ATOM 516 CG HIS A 33 -2.631 11.913 -4.224 1.00 75.15 C ATOM 517 ND1 HIS A 33 -2.068 12.895 -3.437 1.00 21.05 N ATOM 518 CD2 HIS A 33 -3.970 12.073 -4.121 1.00 1.53 C ATOM 519 CE1 HIS A 33 -3.027 13.615 -2.883 1.00 31.34 C ATOM 520 NE2 HIS A 33 -4.191 13.136 -3.282 1.00 64.24 N ATOM 0 H HIS A 33 -0.807 10.229 -2.816 1.00 54.40 H new ATOM 0 HA HIS A 33 -2.947 9.177 -4.446 1.00 62.34 H new ATOM 0 HB2 HIS A 33 -0.775 11.237 -4.999 1.00 22.32 H new ATOM 0 HB3 HIS A 33 -2.152 10.917 -6.036 1.00 22.32 H new ATOM 0 HD2 HIS A 33 -4.725 11.475 -4.609 1.00 1.53 H new ATOM 0 HE1 HIS A 33 -2.883 14.453 -2.217 1.00 31.34 H new ATOM 0 HE2 HIS A 33 -5.105 13.497 -3.011 1.00 64.24 H new ATOM 528 N ILE A 34 0.209 8.431 -5.150 1.00 25.04 N ATOM 529 CA ILE A 34 1.015 7.535 -5.968 1.00 50.12 C ATOM 530 C ILE A 34 0.861 6.087 -5.515 1.00 1.31 C ATOM 531 O ILE A 34 0.503 5.213 -6.304 1.00 54.45 O ATOM 532 CB ILE A 34 2.507 7.919 -5.922 1.00 5.22 C ATOM 533 CG1 ILE A 34 2.673 9.427 -6.120 1.00 11.45 C ATOM 534 CG2 ILE A 34 3.283 7.152 -6.980 1.00 53.55 C ATOM 535 CD1 ILE A 34 4.111 9.890 -6.052 1.00 11.14 C ATOM 0 H ILE A 34 0.736 8.947 -4.445 1.00 25.04 H new ATOM 0 HA ILE A 34 0.654 7.633 -6.992 1.00 50.12 H new ATOM 0 HB ILE A 34 2.906 7.654 -4.943 1.00 5.22 H new ATOM 0 HG12 ILE A 34 2.255 9.707 -7.087 1.00 11.45 H new ATOM 0 HG13 ILE A 34 2.095 9.951 -5.359 1.00 11.45 H new ATOM 0 HG21 ILE A 34 4.335 7.434 -6.935 1.00 53.55 H new ATOM 0 HG22 ILE A 34 3.186 6.082 -6.798 1.00 53.55 H new ATOM 0 HG23 ILE A 34 2.885 7.390 -7.967 1.00 53.55 H new ATOM 0 HD11 ILE A 34 4.153 10.969 -6.201 1.00 11.14 H new ATOM 0 HD12 ILE A 34 4.527 9.642 -5.076 1.00 11.14 H new ATOM 0 HD13 ILE A 34 4.690 9.393 -6.830 1.00 11.14 H new ATOM 547 N VAL A 35 1.130 5.840 -4.237 1.00 34.32 N ATOM 548 CA VAL A 35 1.018 4.499 -3.677 1.00 75.32 C ATOM 549 C VAL A 35 -0.303 3.849 -4.067 1.00 65.52 C ATOM 550 O VAL A 35 -0.358 2.654 -4.357 1.00 51.22 O ATOM 551 CB VAL A 35 1.135 4.521 -2.141 1.00 43.23 C ATOM 552 CG1 VAL A 35 1.008 3.115 -1.576 1.00 41.41 C ATOM 553 CG2 VAL A 35 2.448 5.159 -1.715 1.00 41.23 C ATOM 0 H VAL A 35 1.427 6.552 -3.570 1.00 34.32 H new ATOM 0 HA VAL A 35 1.841 3.914 -4.088 1.00 75.32 H new ATOM 0 HB VAL A 35 0.319 5.123 -1.741 1.00 43.23 H new ATOM 0 HG11 VAL A 35 1.093 3.150 -0.490 1.00 41.41 H new ATOM 0 HG12 VAL A 35 0.039 2.699 -1.851 1.00 41.41 H new ATOM 0 HG13 VAL A 35 1.801 2.487 -1.982 1.00 41.41 H new ATOM 0 HG21 VAL A 35 2.513 5.166 -0.627 1.00 41.23 H new ATOM 0 HG22 VAL A 35 3.280 4.587 -2.125 1.00 41.23 H new ATOM 0 HG23 VAL A 35 2.493 6.182 -2.088 1.00 41.23 H new ATOM 563 N TRP A 36 -1.368 4.644 -4.072 1.00 41.02 N ATOM 564 CA TRP A 36 -2.692 4.146 -4.427 1.00 42.30 C ATOM 565 C TRP A 36 -2.703 3.595 -5.849 1.00 54.33 C ATOM 566 O TRP A 36 -3.195 2.494 -6.094 1.00 30.31 O ATOM 567 CB TRP A 36 -3.732 5.258 -4.290 1.00 31.20 C ATOM 568 CG TRP A 36 -5.116 4.828 -4.670 1.00 41.01 C ATOM 569 CD1 TRP A 36 -5.911 3.940 -4.004 1.00 12.31 C ATOM 570 CD2 TRP A 36 -5.868 5.266 -5.807 1.00 20.24 C ATOM 571 NE1 TRP A 36 -7.111 3.798 -4.658 1.00 71.50 N ATOM 572 CE2 TRP A 36 -7.110 4.603 -5.767 1.00 21.43 C ATOM 573 CE3 TRP A 36 -5.614 6.156 -6.854 1.00 33.11 C ATOM 574 CZ2 TRP A 36 -8.092 4.802 -6.733 1.00 44.11 C ATOM 575 CZ3 TRP A 36 -6.590 6.352 -7.813 1.00 71.32 C ATOM 576 CH2 TRP A 36 -7.817 5.679 -7.747 1.00 54.33 C ATOM 0 H TRP A 36 -1.340 5.636 -3.834 1.00 41.02 H new ATOM 0 HA TRP A 36 -2.944 3.337 -3.742 1.00 42.30 H new ATOM 0 HB2 TRP A 36 -3.740 5.613 -3.259 1.00 31.20 H new ATOM 0 HB3 TRP A 36 -3.437 6.101 -4.915 1.00 31.20 H new ATOM 0 HD1 TRP A 36 -5.637 3.424 -3.096 1.00 12.31 H new ATOM 0 HE1 TRP A 36 -7.878 3.192 -4.366 1.00 71.50 H new ATOM 0 HE3 TRP A 36 -4.672 6.681 -6.913 1.00 33.11 H new ATOM 0 HZ2 TRP A 36 -9.038 4.283 -6.684 1.00 44.11 H new ATOM 0 HZ3 TRP A 36 -6.403 7.036 -8.628 1.00 71.32 H new ATOM 0 HH2 TRP A 36 -8.560 5.856 -8.511 1.00 54.33 H new ATOM 587 N ALA A 37 -2.157 4.368 -6.783 1.00 22.42 N ATOM 588 CA ALA A 37 -2.103 3.956 -8.180 1.00 23.12 C ATOM 589 C ALA A 37 -1.183 2.754 -8.361 1.00 41.21 C ATOM 590 O ALA A 37 -1.494 1.830 -9.115 1.00 21.24 O ATOM 591 CB ALA A 37 -1.642 5.113 -9.054 1.00 11.44 C ATOM 0 H ALA A 37 -1.746 5.283 -6.597 1.00 22.42 H new ATOM 0 HA ALA A 37 -3.107 3.662 -8.486 1.00 23.12 H new ATOM 0 HB1 ALA A 37 -1.606 4.791 -10.095 1.00 11.44 H new ATOM 0 HB2 ALA A 37 -2.340 5.944 -8.955 1.00 11.44 H new ATOM 0 HB3 ALA A 37 -0.649 5.434 -8.739 1.00 11.44 H new ATOM 597 N SER A 38 -0.049 2.771 -7.668 1.00 43.21 N ATOM 598 CA SER A 38 0.918 1.683 -7.757 1.00 24.12 C ATOM 599 C SER A 38 0.253 0.340 -7.470 1.00 1.03 C ATOM 600 O SER A 38 0.643 -0.688 -8.023 1.00 0.44 O ATOM 601 CB SER A 38 2.069 1.915 -6.777 1.00 33.23 C ATOM 602 OG SER A 38 3.022 2.817 -7.312 1.00 62.34 O ATOM 0 H SER A 38 0.223 3.526 -7.039 1.00 43.21 H new ATOM 0 HA SER A 38 1.313 1.663 -8.773 1.00 24.12 H new ATOM 0 HB2 SER A 38 1.678 2.309 -5.839 1.00 33.23 H new ATOM 0 HB3 SER A 38 2.552 0.965 -6.547 1.00 33.23 H new ATOM 0 HG SER A 38 3.746 2.949 -6.665 1.00 62.34 H new ATOM 608 N ARG A 39 -0.752 0.359 -6.600 1.00 12.31 N ATOM 609 CA ARG A 39 -1.470 -0.857 -6.238 1.00 14.54 C ATOM 610 C ARG A 39 -2.709 -1.037 -7.109 1.00 2.40 C ATOM 611 O ARG A 39 -3.290 -2.120 -7.163 1.00 10.22 O ATOM 612 CB ARG A 39 -1.873 -0.816 -4.762 1.00 41.11 C ATOM 613 CG ARG A 39 -0.970 -1.642 -3.861 1.00 34.43 C ATOM 614 CD ARG A 39 -1.192 -3.132 -4.064 1.00 40.20 C ATOM 615 NE ARG A 39 0.058 -3.886 -4.003 1.00 61.33 N ATOM 616 CZ ARG A 39 0.149 -5.182 -4.279 1.00 42.15 C ATOM 617 NH1 ARG A 39 -0.931 -5.865 -4.634 1.00 71.02 N ATOM 618 NH2 ARG A 39 1.322 -5.797 -4.201 1.00 23.20 N ATOM 0 H ARG A 39 -1.087 1.202 -6.134 1.00 12.31 H new ATOM 0 HA ARG A 39 -0.805 -1.704 -6.403 1.00 14.54 H new ATOM 0 HB2 ARG A 39 -1.864 0.219 -4.420 1.00 41.11 H new ATOM 0 HB3 ARG A 39 -2.897 -1.176 -4.664 1.00 41.11 H new ATOM 0 HG2 ARG A 39 0.072 -1.397 -4.066 1.00 34.43 H new ATOM 0 HG3 ARG A 39 -1.159 -1.384 -2.819 1.00 34.43 H new ATOM 0 HD2 ARG A 39 -1.877 -3.503 -3.302 1.00 40.20 H new ATOM 0 HD3 ARG A 39 -1.669 -3.299 -5.030 1.00 40.20 H new ATOM 0 HE ARG A 39 0.907 -3.390 -3.734 1.00 61.33 H new ATOM 0 HH11 ARG A 39 -1.834 -5.395 -4.696 1.00 71.02 H new ATOM 0 HH12 ARG A 39 -0.858 -6.860 -4.845 1.00 71.02 H new ATOM 0 HH21 ARG A 39 2.155 -5.275 -3.929 1.00 23.20 H new ATOM 0 HH22 ARG A 39 1.391 -6.792 -4.413 1.00 23.20 H new ATOM 632 N GLU A 40 -3.108 0.034 -7.789 1.00 43.45 N ATOM 633 CA GLU A 40 -4.279 -0.007 -8.658 1.00 52.34 C ATOM 634 C GLU A 40 -3.914 -0.542 -10.039 1.00 51.04 C ATOM 635 O GLU A 40 -4.669 -1.307 -10.641 1.00 53.43 O ATOM 636 CB GLU A 40 -4.895 1.388 -8.786 1.00 14.55 C ATOM 637 CG GLU A 40 -6.414 1.389 -8.740 1.00 23.12 C ATOM 638 CD GLU A 40 -6.958 0.911 -7.407 1.00 50.25 C ATOM 639 OE1 GLU A 40 -6.464 1.383 -6.362 1.00 71.20 O ATOM 640 OE2 GLU A 40 -7.876 0.064 -7.409 1.00 73.05 O ATOM 0 H GLU A 40 -2.639 0.939 -7.755 1.00 43.45 H new ATOM 0 HA GLU A 40 -5.009 -0.680 -8.209 1.00 52.34 H new ATOM 0 HB2 GLU A 40 -4.515 2.019 -7.982 1.00 14.55 H new ATOM 0 HB3 GLU A 40 -4.568 1.836 -9.724 1.00 14.55 H new ATOM 0 HG2 GLU A 40 -6.779 2.397 -8.937 1.00 23.12 H new ATOM 0 HG3 GLU A 40 -6.798 0.750 -9.535 1.00 23.12 H new ATOM 647 N LEU A 41 -2.752 -0.134 -10.537 1.00 71.45 N ATOM 648 CA LEU A 41 -2.286 -0.571 -11.849 1.00 71.54 C ATOM 649 C LEU A 41 -2.132 -2.087 -11.895 1.00 11.42 C ATOM 650 O LEU A 41 -2.490 -2.727 -12.882 1.00 42.31 O ATOM 651 CB LEU A 41 -0.953 0.099 -12.187 1.00 71.30 C ATOM 652 CG LEU A 41 -1.041 1.470 -12.858 1.00 61.31 C ATOM 653 CD1 LEU A 41 0.344 2.073 -13.028 1.00 32.22 C ATOM 654 CD2 LEU A 41 -1.746 1.362 -14.203 1.00 11.14 C ATOM 0 H LEU A 41 -2.115 0.499 -10.053 1.00 71.45 H new ATOM 0 HA LEU A 41 -3.031 -0.278 -12.588 1.00 71.54 H new ATOM 0 HB2 LEU A 41 -0.378 0.204 -11.267 1.00 71.30 H new ATOM 0 HB3 LEU A 41 -0.390 -0.567 -12.840 1.00 71.30 H new ATOM 0 HG LEU A 41 -1.625 2.129 -12.216 1.00 61.31 H new ATOM 0 HD11 LEU A 41 0.260 3.048 -13.507 1.00 32.22 H new ATOM 0 HD12 LEU A 41 0.813 2.188 -12.051 1.00 32.22 H new ATOM 0 HD13 LEU A 41 0.954 1.416 -13.648 1.00 32.22 H new ATOM 0 HD21 LEU A 41 -1.799 2.347 -14.666 1.00 11.14 H new ATOM 0 HD22 LEU A 41 -1.190 0.686 -14.852 1.00 11.14 H new ATOM 0 HD23 LEU A 41 -2.754 0.975 -14.055 1.00 11.14 H new ATOM 666 N GLU A 42 -1.597 -2.655 -10.818 1.00 23.32 N ATOM 667 CA GLU A 42 -1.399 -4.097 -10.735 1.00 55.11 C ATOM 668 C GLU A 42 -2.712 -4.842 -10.952 1.00 4.12 C ATOM 669 O GLU A 42 -2.721 -6.000 -11.369 1.00 32.13 O ATOM 670 CB GLU A 42 -0.803 -4.476 -9.378 1.00 35.44 C ATOM 671 CG GLU A 42 -0.585 -5.969 -9.203 1.00 73.43 C ATOM 672 CD GLU A 42 0.634 -6.286 -8.358 1.00 74.24 C ATOM 673 OE1 GLU A 42 1.742 -6.382 -8.927 1.00 51.51 O ATOM 674 OE2 GLU A 42 0.481 -6.436 -7.129 1.00 24.24 O ATOM 0 H GLU A 42 -1.294 -2.139 -9.992 1.00 23.32 H new ATOM 0 HA GLU A 42 -0.704 -4.387 -11.523 1.00 55.11 H new ATOM 0 HB2 GLU A 42 0.150 -3.961 -9.253 1.00 35.44 H new ATOM 0 HB3 GLU A 42 -1.464 -4.119 -8.588 1.00 35.44 H new ATOM 0 HG2 GLU A 42 -1.468 -6.409 -8.740 1.00 73.43 H new ATOM 0 HG3 GLU A 42 -0.474 -6.433 -10.183 1.00 73.43 H new ATOM 681 N ARG A 43 -3.822 -4.168 -10.665 1.00 70.44 N ATOM 682 CA ARG A 43 -5.142 -4.765 -10.826 1.00 74.33 C ATOM 683 C ARG A 43 -5.617 -4.652 -12.272 1.00 74.22 C ATOM 684 O ARG A 43 -6.487 -5.404 -12.712 1.00 15.42 O ATOM 685 CB ARG A 43 -6.148 -4.089 -9.893 1.00 64.21 C ATOM 686 CG ARG A 43 -6.805 -5.045 -8.911 1.00 30.34 C ATOM 687 CD ARG A 43 -6.143 -4.980 -7.543 1.00 42.20 C ATOM 688 NE ARG A 43 -6.771 -3.986 -6.677 1.00 65.13 N ATOM 689 CZ ARG A 43 -6.374 -3.737 -5.435 1.00 50.32 C ATOM 690 NH1 ARG A 43 -5.355 -4.407 -4.915 1.00 53.00 N ATOM 691 NH2 ARG A 43 -6.997 -2.817 -4.710 1.00 30.24 N ATOM 0 H ARG A 43 -3.833 -3.208 -10.320 1.00 70.44 H new ATOM 0 HA ARG A 43 -5.070 -5.821 -10.567 1.00 74.33 H new ATOM 0 HB2 ARG A 43 -5.641 -3.301 -9.336 1.00 64.21 H new ATOM 0 HB3 ARG A 43 -6.921 -3.609 -10.493 1.00 64.21 H new ATOM 0 HG2 ARG A 43 -7.863 -4.801 -8.816 1.00 30.34 H new ATOM 0 HG3 ARG A 43 -6.746 -6.063 -9.297 1.00 30.34 H new ATOM 0 HD2 ARG A 43 -6.196 -5.960 -7.068 1.00 42.20 H new ATOM 0 HD3 ARG A 43 -5.086 -4.740 -7.663 1.00 42.20 H new ATOM 0 HE ARG A 43 -7.558 -3.453 -7.047 1.00 65.13 H new ATOM 0 HH11 ARG A 43 -4.874 -5.115 -5.469 1.00 53.00 H new ATOM 0 HH12 ARG A 43 -5.052 -4.214 -3.960 1.00 53.00 H new ATOM 0 HH21 ARG A 43 -7.782 -2.300 -5.107 1.00 30.24 H new ATOM 0 HH22 ARG A 43 -6.691 -2.626 -3.756 1.00 30.24 H new ATOM 705 N PHE A 44 -5.041 -3.706 -13.007 1.00 73.01 N ATOM 706 CA PHE A 44 -5.405 -3.493 -14.402 1.00 1.31 C ATOM 707 C PHE A 44 -4.454 -4.239 -15.333 1.00 4.41 C ATOM 708 O PHE A 44 -4.287 -3.868 -16.495 1.00 45.21 O ATOM 709 CB PHE A 44 -5.393 -1.999 -14.732 1.00 72.00 C ATOM 710 CG PHE A 44 -6.490 -1.227 -14.057 1.00 0.14 C ATOM 711 CD1 PHE A 44 -7.796 -1.688 -14.081 1.00 65.20 C ATOM 712 CD2 PHE A 44 -6.214 -0.041 -13.396 1.00 63.24 C ATOM 713 CE1 PHE A 44 -8.807 -0.979 -13.460 1.00 71.23 C ATOM 714 CE2 PHE A 44 -7.220 0.673 -12.774 1.00 25.24 C ATOM 715 CZ PHE A 44 -8.519 0.202 -12.805 1.00 63.43 C ATOM 0 H PHE A 44 -4.320 -3.075 -12.659 1.00 73.01 H new ATOM 0 HA PHE A 44 -6.412 -3.883 -14.552 1.00 1.31 H new ATOM 0 HB2 PHE A 44 -4.431 -1.578 -14.440 1.00 72.00 H new ATOM 0 HB3 PHE A 44 -5.482 -1.873 -15.811 1.00 72.00 H new ATOM 0 HD1 PHE A 44 -8.027 -2.612 -14.591 1.00 65.20 H new ATOM 0 HD2 PHE A 44 -5.200 0.330 -13.367 1.00 63.24 H new ATOM 0 HE1 PHE A 44 -9.821 -1.348 -13.487 1.00 71.23 H new ATOM 0 HE2 PHE A 44 -6.992 1.598 -12.264 1.00 25.24 H new ATOM 0 HZ PHE A 44 -9.307 0.757 -12.318 1.00 63.43 H new ATOM 725 N ALA A 45 -3.832 -5.293 -14.813 1.00 63.44 N ATOM 726 CA ALA A 45 -2.899 -6.092 -15.597 1.00 50.34 C ATOM 727 C ALA A 45 -1.695 -5.263 -16.030 1.00 30.13 C ATOM 728 O ALA A 45 -0.971 -5.636 -16.953 1.00 55.22 O ATOM 729 CB ALA A 45 -3.600 -6.682 -16.812 1.00 61.25 C ATOM 0 H ALA A 45 -3.958 -5.613 -13.853 1.00 63.44 H new ATOM 0 HA ALA A 45 -2.539 -6.906 -14.968 1.00 50.34 H new ATOM 0 HB1 ALA A 45 -2.891 -7.276 -17.388 1.00 61.25 H new ATOM 0 HB2 ALA A 45 -4.423 -7.317 -16.484 1.00 61.25 H new ATOM 0 HB3 ALA A 45 -3.988 -5.876 -17.435 1.00 61.25 H new ATOM 735 N VAL A 46 -1.486 -4.135 -15.357 1.00 42.33 N ATOM 736 CA VAL A 46 -0.369 -3.254 -15.672 1.00 73.44 C ATOM 737 C VAL A 46 0.606 -3.162 -14.503 1.00 3.00 C ATOM 738 O VAL A 46 0.257 -2.677 -13.428 1.00 74.32 O ATOM 739 CB VAL A 46 -0.856 -1.837 -16.032 1.00 12.21 C ATOM 740 CG1 VAL A 46 0.326 -0.906 -16.253 1.00 33.20 C ATOM 741 CG2 VAL A 46 -1.750 -1.878 -17.262 1.00 13.23 C ATOM 0 H VAL A 46 -2.076 -3.811 -14.591 1.00 42.33 H new ATOM 0 HA VAL A 46 0.141 -3.685 -16.533 1.00 73.44 H new ATOM 0 HB VAL A 46 -1.441 -1.450 -15.198 1.00 12.21 H new ATOM 0 HG11 VAL A 46 -0.038 0.090 -16.506 1.00 33.20 H new ATOM 0 HG12 VAL A 46 0.923 -0.854 -15.343 1.00 33.20 H new ATOM 0 HG13 VAL A 46 0.941 -1.286 -17.069 1.00 33.20 H new ATOM 0 HG21 VAL A 46 -2.085 -0.869 -17.502 1.00 13.23 H new ATOM 0 HG22 VAL A 46 -1.191 -2.285 -18.105 1.00 13.23 H new ATOM 0 HG23 VAL A 46 -2.616 -2.510 -17.062 1.00 13.23 H new ATOM 751 N ASN A 47 1.830 -3.633 -14.722 1.00 23.11 N ATOM 752 CA ASN A 47 2.856 -3.606 -13.686 1.00 63.41 C ATOM 753 C ASN A 47 3.168 -2.172 -13.269 1.00 73.35 C ATOM 754 O ASN A 47 3.209 -1.255 -14.090 1.00 61.14 O ATOM 755 CB ASN A 47 4.128 -4.294 -14.181 1.00 51.22 C ATOM 756 CG ASN A 47 4.315 -5.671 -13.574 1.00 13.43 C ATOM 757 OD1 ASN A 47 3.440 -6.531 -13.679 1.00 12.23 O ATOM 758 ND2 ASN A 47 5.459 -5.886 -12.935 1.00 30.11 N ATOM 0 H ASN A 47 2.135 -4.038 -15.607 1.00 23.11 H new ATOM 0 HA ASN A 47 2.476 -4.144 -12.818 1.00 63.41 H new ATOM 0 HB2 ASN A 47 4.092 -4.381 -15.267 1.00 51.22 H new ATOM 0 HB3 ASN A 47 4.991 -3.673 -13.939 1.00 51.22 H new ATOM 0 HD21 ASN A 47 5.641 -6.793 -12.506 1.00 30.11 H new ATOM 0 HD22 ASN A 47 6.156 -5.144 -12.873 1.00 30.11 H new ATOM 765 N PRO A 48 3.397 -1.971 -11.963 1.00 55.11 N ATOM 766 CA PRO A 48 3.712 -0.652 -11.407 1.00 13.31 C ATOM 767 C PRO A 48 5.094 -0.162 -11.824 1.00 33.13 C ATOM 768 O PRO A 48 5.464 0.981 -11.562 1.00 62.12 O ATOM 769 CB PRO A 48 3.660 -0.882 -9.895 1.00 11.02 C ATOM 770 CG PRO A 48 3.950 -2.334 -9.723 1.00 23.44 C ATOM 771 CD PRO A 48 3.366 -3.018 -10.927 1.00 72.22 C ATOM 0 HA PRO A 48 3.021 0.114 -11.759 1.00 13.31 H new ATOM 0 HB2 PRO A 48 4.395 -0.267 -9.375 1.00 11.02 H new ATOM 0 HB3 PRO A 48 2.683 -0.622 -9.488 1.00 11.02 H new ATOM 0 HG2 PRO A 48 5.023 -2.512 -9.655 1.00 23.44 H new ATOM 0 HG3 PRO A 48 3.505 -2.715 -8.804 1.00 23.44 H new ATOM 0 HD2 PRO A 48 3.953 -3.889 -11.218 1.00 72.22 H new ATOM 0 HD3 PRO A 48 2.351 -3.366 -10.738 1.00 72.22 H new ATOM 779 N GLY A 49 5.856 -1.037 -12.475 1.00 61.25 N ATOM 780 CA GLY A 49 7.189 -0.674 -12.919 1.00 21.33 C ATOM 781 C GLY A 49 7.174 0.412 -13.976 1.00 0.33 C ATOM 782 O GLY A 49 8.182 1.083 -14.203 1.00 62.01 O ATOM 0 H GLY A 49 5.573 -1.990 -12.702 1.00 61.25 H new ATOM 0 HA2 GLY A 49 7.774 -0.336 -12.064 1.00 21.33 H new ATOM 0 HA3 GLY A 49 7.689 -1.557 -13.317 1.00 21.33 H new ATOM 786 N LEU A 50 6.029 0.586 -14.626 1.00 64.44 N ATOM 787 CA LEU A 50 5.885 1.598 -15.668 1.00 13.43 C ATOM 788 C LEU A 50 5.827 2.997 -15.062 1.00 61.10 C ATOM 789 O LEU A 50 5.855 3.998 -15.781 1.00 43.52 O ATOM 790 CB LEU A 50 4.626 1.334 -16.493 1.00 40.35 C ATOM 791 CG LEU A 50 4.491 -0.071 -17.081 1.00 72.15 C ATOM 792 CD1 LEU A 50 3.111 -0.265 -17.690 1.00 31.03 C ATOM 793 CD2 LEU A 50 5.574 -0.321 -18.120 1.00 62.14 C ATOM 0 H LEU A 50 5.186 0.039 -14.450 1.00 64.44 H new ATOM 0 HA LEU A 50 6.756 1.540 -16.320 1.00 13.43 H new ATOM 0 HB2 LEU A 50 3.757 1.528 -15.865 1.00 40.35 H new ATOM 0 HB3 LEU A 50 4.595 2.053 -17.311 1.00 40.35 H new ATOM 0 HG LEU A 50 4.615 -0.794 -16.275 1.00 72.15 H new ATOM 0 HD11 LEU A 50 3.034 -1.271 -18.103 1.00 31.03 H new ATOM 0 HD12 LEU A 50 2.351 -0.130 -16.920 1.00 31.03 H new ATOM 0 HD13 LEU A 50 2.957 0.466 -18.484 1.00 31.03 H new ATOM 0 HD21 LEU A 50 5.462 -1.326 -18.528 1.00 62.14 H new ATOM 0 HD22 LEU A 50 5.482 0.409 -18.924 1.00 62.14 H new ATOM 0 HD23 LEU A 50 6.555 -0.226 -17.654 1.00 62.14 H new ATOM 805 N LEU A 51 5.747 3.060 -13.738 1.00 72.25 N ATOM 806 CA LEU A 51 5.687 4.337 -13.035 1.00 61.43 C ATOM 807 C LEU A 51 7.068 4.979 -12.952 1.00 15.01 C ATOM 808 O LEU A 51 7.190 6.190 -12.775 1.00 31.44 O ATOM 809 CB LEU A 51 5.117 4.142 -11.629 1.00 65.42 C ATOM 810 CG LEU A 51 3.667 3.661 -11.554 1.00 11.43 C ATOM 811 CD1 LEU A 51 3.275 3.374 -10.113 1.00 0.14 C ATOM 812 CD2 LEU A 51 2.730 4.690 -12.169 1.00 73.22 C ATOM 0 H LEU A 51 5.722 2.242 -13.129 1.00 72.25 H new ATOM 0 HA LEU A 51 5.031 5.002 -13.597 1.00 61.43 H new ATOM 0 HB2 LEU A 51 5.745 3.425 -11.100 1.00 65.42 H new ATOM 0 HB3 LEU A 51 5.193 5.088 -11.093 1.00 65.42 H new ATOM 0 HG LEU A 51 3.581 2.736 -12.124 1.00 11.43 H new ATOM 0 HD11 LEU A 51 2.240 3.033 -10.078 1.00 0.14 H new ATOM 0 HD12 LEU A 51 3.926 2.600 -9.706 1.00 0.14 H new ATOM 0 HD13 LEU A 51 3.377 4.283 -9.520 1.00 0.14 H new ATOM 0 HD21 LEU A 51 1.703 4.330 -12.106 1.00 73.22 H new ATOM 0 HD22 LEU A 51 2.818 5.632 -11.628 1.00 73.22 H new ATOM 0 HD23 LEU A 51 2.997 4.846 -13.214 1.00 73.22 H new ATOM 824 N GLU A 52 8.105 4.157 -13.083 1.00 73.54 N ATOM 825 CA GLU A 52 9.478 4.646 -13.024 1.00 10.21 C ATOM 826 C GLU A 52 10.032 4.884 -14.426 1.00 31.11 C ATOM 827 O GLU A 52 11.231 4.738 -14.665 1.00 64.34 O ATOM 828 CB GLU A 52 10.366 3.649 -12.276 1.00 24.33 C ATOM 829 CG GLU A 52 10.487 2.303 -12.968 1.00 32.00 C ATOM 830 CD GLU A 52 11.830 1.641 -12.727 1.00 64.31 C ATOM 831 OE1 GLU A 52 12.862 2.257 -13.066 1.00 72.11 O ATOM 832 OE2 GLU A 52 11.849 0.509 -12.201 1.00 22.24 O ATOM 0 H GLU A 52 8.021 3.151 -13.230 1.00 73.54 H new ATOM 0 HA GLU A 52 9.476 5.595 -12.487 1.00 10.21 H new ATOM 0 HB2 GLU A 52 11.361 4.078 -12.159 1.00 24.33 H new ATOM 0 HB3 GLU A 52 9.964 3.498 -11.274 1.00 24.33 H new ATOM 0 HG2 GLU A 52 9.693 1.645 -12.615 1.00 32.00 H new ATOM 0 HG3 GLU A 52 10.339 2.435 -14.040 1.00 32.00 H new ATOM 839 N THR A 53 9.149 5.251 -15.350 1.00 2.12 N ATOM 840 CA THR A 53 9.548 5.508 -16.728 1.00 24.44 C ATOM 841 C THR A 53 8.603 6.499 -17.398 1.00 14.21 C ATOM 842 O THR A 53 7.458 6.168 -17.706 1.00 62.22 O ATOM 843 CB THR A 53 9.581 4.209 -17.555 1.00 34.03 C ATOM 844 OG1 THR A 53 8.260 3.874 -17.995 1.00 53.01 O ATOM 845 CG2 THR A 53 10.155 3.061 -16.736 1.00 64.20 C ATOM 0 H THR A 53 8.153 5.377 -15.169 1.00 2.12 H new ATOM 0 HA THR A 53 10.551 5.933 -16.692 1.00 24.44 H new ATOM 0 HB THR A 53 10.221 4.372 -18.422 1.00 34.03 H new ATOM 0 HG1 THR A 53 7.604 4.404 -17.495 1.00 53.01 H new ATOM 0 HG21 THR A 53 10.169 2.154 -17.340 1.00 64.20 H new ATOM 0 HG22 THR A 53 11.171 3.307 -16.427 1.00 64.20 H new ATOM 0 HG23 THR A 53 9.537 2.899 -15.853 1.00 64.20 H new ATOM 853 N SER A 54 9.090 7.715 -17.621 1.00 43.12 N ATOM 854 CA SER A 54 8.288 8.756 -18.253 1.00 4.34 C ATOM 855 C SER A 54 7.626 8.235 -19.525 1.00 43.42 C ATOM 856 O SER A 54 6.534 8.668 -19.891 1.00 24.20 O ATOM 857 CB SER A 54 9.155 9.973 -18.578 1.00 31.14 C ATOM 858 OG SER A 54 9.688 9.884 -19.888 1.00 11.41 O ATOM 0 H SER A 54 10.036 8.004 -17.373 1.00 43.12 H new ATOM 0 HA SER A 54 7.507 9.053 -17.553 1.00 4.34 H new ATOM 0 HB2 SER A 54 8.561 10.882 -18.485 1.00 31.14 H new ATOM 0 HB3 SER A 54 9.968 10.048 -17.856 1.00 31.14 H new ATOM 0 HG SER A 54 9.517 10.721 -20.368 1.00 11.41 H new ATOM 864 N GLU A 55 8.296 7.302 -20.194 1.00 14.03 N ATOM 865 CA GLU A 55 7.774 6.722 -21.426 1.00 4.14 C ATOM 866 C GLU A 55 6.659 5.723 -21.127 1.00 41.33 C ATOM 867 O GLU A 55 5.714 5.582 -21.901 1.00 1.44 O ATOM 868 CB GLU A 55 8.895 6.034 -22.206 1.00 43.34 C ATOM 869 CG GLU A 55 8.760 6.171 -23.714 1.00 62.00 C ATOM 870 CD GLU A 55 9.043 7.580 -24.199 1.00 14.22 C ATOM 871 OE1 GLU A 55 9.521 8.401 -23.387 1.00 32.31 O ATOM 872 OE2 GLU A 55 8.788 7.861 -25.388 1.00 73.41 O ATOM 0 H GLU A 55 9.201 6.932 -19.904 1.00 14.03 H new ATOM 0 HA GLU A 55 7.362 7.529 -22.032 1.00 4.14 H new ATOM 0 HB2 GLU A 55 9.852 6.453 -21.896 1.00 43.34 H new ATOM 0 HB3 GLU A 55 8.911 4.976 -21.946 1.00 43.34 H new ATOM 0 HG2 GLU A 55 9.446 5.478 -24.201 1.00 62.00 H new ATOM 0 HG3 GLU A 55 7.752 5.884 -24.013 1.00 62.00 H new ATOM 879 N GLY A 56 6.779 5.031 -19.997 1.00 62.02 N ATOM 880 CA GLY A 56 5.776 4.054 -19.616 1.00 52.40 C ATOM 881 C GLY A 56 4.528 4.697 -19.046 1.00 14.14 C ATOM 882 O GLY A 56 3.417 4.214 -19.266 1.00 23.52 O ATOM 0 H GLY A 56 7.553 5.130 -19.340 1.00 62.02 H new ATOM 0 HA2 GLY A 56 5.507 3.455 -20.486 1.00 52.40 H new ATOM 0 HA3 GLY A 56 6.199 3.372 -18.878 1.00 52.40 H new ATOM 886 N CYS A 57 4.711 5.786 -18.308 1.00 22.34 N ATOM 887 CA CYS A 57 3.589 6.495 -17.701 1.00 34.34 C ATOM 888 C CYS A 57 2.602 6.963 -18.765 1.00 30.42 C ATOM 889 O CYS A 57 1.406 7.093 -18.502 1.00 31.54 O ATOM 890 CB CYS A 57 4.093 7.692 -16.893 1.00 70.31 C ATOM 891 SG CYS A 57 3.814 7.550 -15.112 1.00 2.42 S ATOM 0 H CYS A 57 5.624 6.197 -18.115 1.00 22.34 H new ATOM 0 HA CYS A 57 3.074 5.805 -17.032 1.00 34.34 H new ATOM 0 HB2 CYS A 57 5.161 7.815 -17.074 1.00 70.31 H new ATOM 0 HB3 CYS A 57 3.602 8.595 -17.256 1.00 70.31 H new ATOM 0 HG CYS A 57 4.276 8.608 -14.515 1.00 2.42 H new ATOM 897 N ARG A 58 3.111 7.218 -19.966 1.00 40.44 N ATOM 898 CA ARG A 58 2.274 7.675 -21.069 1.00 41.52 C ATOM 899 C ARG A 58 1.333 6.567 -21.534 1.00 2.42 C ATOM 900 O ARG A 58 0.205 6.831 -21.946 1.00 3.02 O ATOM 901 CB ARG A 58 3.144 8.142 -22.237 1.00 1.13 C ATOM 902 CG ARG A 58 2.402 9.011 -23.239 1.00 64.30 C ATOM 903 CD ARG A 58 2.360 8.364 -24.615 1.00 11.34 C ATOM 904 NE ARG A 58 1.659 9.195 -25.590 1.00 0.41 N ATOM 905 CZ ARG A 58 2.176 10.294 -26.125 1.00 21.12 C ATOM 906 NH1 ARG A 58 3.393 10.693 -25.782 1.00 1.21 N ATOM 907 NH2 ARG A 58 1.476 10.997 -27.006 1.00 30.10 N ATOM 0 H ARG A 58 4.099 7.116 -20.200 1.00 40.44 H new ATOM 0 HA ARG A 58 1.674 8.512 -20.713 1.00 41.52 H new ATOM 0 HB2 ARG A 58 3.995 8.699 -21.845 1.00 1.13 H new ATOM 0 HB3 ARG A 58 3.545 7.269 -22.752 1.00 1.13 H new ATOM 0 HG2 ARG A 58 1.385 9.187 -22.887 1.00 64.30 H new ATOM 0 HG3 ARG A 58 2.888 9.984 -23.308 1.00 64.30 H new ATOM 0 HD2 ARG A 58 3.377 8.180 -24.960 1.00 11.34 H new ATOM 0 HD3 ARG A 58 1.867 7.394 -24.545 1.00 11.34 H new ATOM 0 HE ARG A 58 0.721 8.915 -25.875 1.00 0.41 H new ATOM 0 HH11 ARG A 58 3.934 10.155 -25.105 1.00 1.21 H new ATOM 0 HH12 ARG A 58 3.788 11.538 -26.195 1.00 1.21 H new ATOM 0 HH21 ARG A 58 0.540 10.693 -27.273 1.00 30.10 H new ATOM 0 HH22 ARG A 58 1.874 11.842 -27.417 1.00 30.10 H new ATOM 921 N GLN A 59 1.807 5.327 -21.463 1.00 43.15 N ATOM 922 CA GLN A 59 1.008 4.179 -21.877 1.00 55.10 C ATOM 923 C GLN A 59 -0.199 3.999 -20.964 1.00 4.21 C ATOM 924 O GLN A 59 -1.302 3.705 -21.428 1.00 31.12 O ATOM 925 CB GLN A 59 1.861 2.910 -21.873 1.00 1.40 C ATOM 926 CG GLN A 59 2.148 2.364 -23.262 1.00 15.10 C ATOM 927 CD GLN A 59 3.460 1.608 -23.332 1.00 72.22 C ATOM 928 OE1 GLN A 59 4.511 2.189 -23.603 1.00 33.31 O ATOM 929 NE2 GLN A 59 3.406 0.303 -23.089 1.00 33.34 N ATOM 0 H GLN A 59 2.739 5.092 -21.123 1.00 43.15 H new ATOM 0 HA GLN A 59 0.649 4.363 -22.890 1.00 55.10 H new ATOM 0 HB2 GLN A 59 2.806 3.119 -21.372 1.00 1.40 H new ATOM 0 HB3 GLN A 59 1.353 2.143 -21.288 1.00 1.40 H new ATOM 0 HG2 GLN A 59 1.336 1.703 -23.563 1.00 15.10 H new ATOM 0 HG3 GLN A 59 2.169 3.188 -23.975 1.00 15.10 H new ATOM 0 HE21 GLN A 59 2.513 -0.138 -22.868 1.00 33.34 H new ATOM 0 HE22 GLN A 59 4.257 -0.258 -23.123 1.00 33.34 H new ATOM 938 N ILE A 60 0.016 4.175 -19.665 1.00 23.42 N ATOM 939 CA ILE A 60 -1.056 4.032 -18.687 1.00 62.23 C ATOM 940 C ILE A 60 -2.220 4.964 -19.007 1.00 51.22 C ATOM 941 O ILE A 60 -3.385 4.598 -18.847 1.00 71.14 O ATOM 942 CB ILE A 60 -0.558 4.322 -17.259 1.00 74.44 C ATOM 943 CG1 ILE A 60 0.627 3.420 -16.915 1.00 54.53 C ATOM 944 CG2 ILE A 60 -1.685 4.131 -16.256 1.00 33.33 C ATOM 945 CD1 ILE A 60 1.356 3.831 -15.655 1.00 22.12 C ATOM 0 H ILE A 60 0.923 4.417 -19.265 1.00 23.42 H new ATOM 0 HA ILE A 60 -1.396 2.998 -18.741 1.00 62.23 H new ATOM 0 HB ILE A 60 -0.226 5.359 -17.210 1.00 74.44 H new ATOM 0 HG12 ILE A 60 0.272 2.396 -16.802 1.00 54.53 H new ATOM 0 HG13 ILE A 60 1.329 3.423 -17.749 1.00 54.53 H new ATOM 0 HG21 ILE A 60 -1.317 4.340 -15.251 1.00 33.33 H new ATOM 0 HG22 ILE A 60 -2.502 4.813 -16.492 1.00 33.33 H new ATOM 0 HG23 ILE A 60 -2.045 3.103 -16.304 1.00 33.33 H new ATOM 0 HD11 ILE A 60 2.184 3.146 -15.474 1.00 22.12 H new ATOM 0 HD12 ILE A 60 1.742 4.844 -15.772 1.00 22.12 H new ATOM 0 HD13 ILE A 60 0.668 3.800 -14.810 1.00 22.12 H new ATOM 957 N LEU A 61 -1.897 6.171 -19.462 1.00 51.51 N ATOM 958 CA LEU A 61 -2.916 7.156 -19.807 1.00 3.04 C ATOM 959 C LEU A 61 -3.503 6.872 -21.186 1.00 0.31 C ATOM 960 O LEU A 61 -4.652 7.214 -21.465 1.00 54.21 O ATOM 961 CB LEU A 61 -2.323 8.565 -19.773 1.00 73.24 C ATOM 962 CG LEU A 61 -1.742 9.016 -18.432 1.00 72.24 C ATOM 963 CD1 LEU A 61 -0.582 9.978 -18.650 1.00 44.51 C ATOM 964 CD2 LEU A 61 -2.819 9.663 -17.575 1.00 32.41 C ATOM 0 H LEU A 61 -0.938 6.490 -19.600 1.00 51.51 H new ATOM 0 HA LEU A 61 -3.717 7.088 -19.071 1.00 3.04 H new ATOM 0 HB2 LEU A 61 -1.537 8.625 -20.526 1.00 73.24 H new ATOM 0 HB3 LEU A 61 -3.099 9.272 -20.066 1.00 73.24 H new ATOM 0 HG LEU A 61 -1.366 8.138 -17.906 1.00 72.24 H new ATOM 0 HD11 LEU A 61 -0.181 10.289 -17.685 1.00 44.51 H new ATOM 0 HD12 LEU A 61 0.199 9.481 -19.225 1.00 44.51 H new ATOM 0 HD13 LEU A 61 -0.933 10.854 -19.196 1.00 44.51 H new ATOM 0 HD21 LEU A 61 -2.388 9.978 -16.625 1.00 32.41 H new ATOM 0 HD22 LEU A 61 -3.225 10.531 -18.095 1.00 32.41 H new ATOM 0 HD23 LEU A 61 -3.618 8.945 -17.391 1.00 32.41 H new ATOM 976 N GLY A 62 -2.707 6.241 -22.044 1.00 24.32 N ATOM 977 CA GLY A 62 -3.167 5.920 -23.382 1.00 70.33 C ATOM 978 C GLY A 62 -4.267 4.878 -23.383 1.00 44.14 C ATOM 979 O GLY A 62 -5.088 4.835 -24.298 1.00 64.13 O ATOM 0 H GLY A 62 -1.753 5.947 -21.836 1.00 24.32 H new ATOM 0 HA2 GLY A 62 -3.530 6.827 -23.865 1.00 70.33 H new ATOM 0 HA3 GLY A 62 -2.327 5.557 -23.974 1.00 70.33 H new ATOM 983 N GLN A 63 -4.283 4.035 -22.356 1.00 73.02 N ATOM 984 CA GLN A 63 -5.289 2.987 -22.244 1.00 43.11 C ATOM 985 C GLN A 63 -6.598 3.546 -21.696 1.00 43.22 C ATOM 986 O GLN A 63 -7.677 3.252 -22.215 1.00 73.00 O ATOM 987 CB GLN A 63 -4.785 1.860 -21.340 1.00 40.13 C ATOM 988 CG GLN A 63 -4.358 0.615 -22.101 1.00 24.00 C ATOM 989 CD GLN A 63 -2.889 0.291 -21.914 1.00 30.10 C ATOM 990 OE1 GLN A 63 -2.042 1.184 -21.897 1.00 1.02 O ATOM 991 NE2 GLN A 63 -2.579 -0.992 -21.770 1.00 53.25 N ATOM 0 H GLN A 63 -3.610 4.058 -21.590 1.00 73.02 H new ATOM 0 HA GLN A 63 -5.474 2.588 -23.241 1.00 43.11 H new ATOM 0 HB2 GLN A 63 -3.941 2.225 -20.754 1.00 40.13 H new ATOM 0 HB3 GLN A 63 -5.571 1.593 -20.634 1.00 40.13 H new ATOM 0 HG2 GLN A 63 -4.958 -0.232 -21.769 1.00 24.00 H new ATOM 0 HG3 GLN A 63 -4.563 0.755 -23.162 1.00 24.00 H new ATOM 0 HE21 GLN A 63 -3.313 -1.700 -21.790 1.00 53.25 H new ATOM 0 HE22 GLN A 63 -1.606 -1.270 -21.639 1.00 53.25 H new ATOM 1000 N LEU A 64 -6.498 4.351 -20.646 1.00 22.34 N ATOM 1001 CA LEU A 64 -7.674 4.952 -20.026 1.00 4.31 C ATOM 1002 C LEU A 64 -8.235 6.073 -20.896 1.00 45.35 C ATOM 1003 O LEU A 64 -9.442 6.317 -20.908 1.00 30.22 O ATOM 1004 CB LEU A 64 -7.325 5.494 -18.639 1.00 62.35 C ATOM 1005 CG LEU A 64 -6.542 4.549 -17.727 1.00 33.31 C ATOM 1006 CD1 LEU A 64 -6.261 5.211 -16.387 1.00 22.50 C ATOM 1007 CD2 LEU A 64 -7.302 3.245 -17.531 1.00 74.44 C ATOM 0 H LEU A 64 -5.614 4.604 -20.205 1.00 22.34 H new ATOM 0 HA LEU A 64 -8.435 4.179 -19.925 1.00 4.31 H new ATOM 0 HB2 LEU A 64 -6.746 6.409 -18.764 1.00 62.35 H new ATOM 0 HB3 LEU A 64 -8.251 5.769 -18.135 1.00 62.35 H new ATOM 0 HG LEU A 64 -5.588 4.322 -18.204 1.00 33.31 H new ATOM 0 HD11 LEU A 64 -5.703 4.523 -15.751 1.00 22.50 H new ATOM 0 HD12 LEU A 64 -5.675 6.116 -16.544 1.00 22.50 H new ATOM 0 HD13 LEU A 64 -7.203 5.468 -15.904 1.00 22.50 H new ATOM 0 HD21 LEU A 64 -6.730 2.585 -16.879 1.00 74.44 H new ATOM 0 HD22 LEU A 64 -8.271 3.453 -17.077 1.00 74.44 H new ATOM 0 HD23 LEU A 64 -7.451 2.762 -18.497 1.00 74.44 H new ATOM 1019 N GLN A 65 -7.353 6.748 -21.624 1.00 71.41 N ATOM 1020 CA GLN A 65 -7.760 7.842 -22.499 1.00 3.42 C ATOM 1021 C GLN A 65 -9.004 7.465 -23.297 1.00 3.10 C ATOM 1022 O GLN A 65 -10.052 8.104 -23.198 1.00 51.03 O ATOM 1023 CB GLN A 65 -6.622 8.214 -23.450 1.00 24.13 C ATOM 1024 CG GLN A 65 -5.971 9.549 -23.127 1.00 24.31 C ATOM 1025 CD GLN A 65 -4.891 9.927 -24.121 1.00 62.21 C ATOM 1026 OE1 GLN A 65 -5.160 10.102 -25.311 1.00 54.10 O ATOM 1027 NE2 GLN A 65 -3.661 10.057 -23.639 1.00 4.34 N ATOM 0 H GLN A 65 -6.351 6.557 -21.626 1.00 71.41 H new ATOM 0 HA GLN A 65 -7.997 8.704 -21.875 1.00 3.42 H new ATOM 0 HB2 GLN A 65 -5.863 7.432 -23.419 1.00 24.13 H new ATOM 0 HB3 GLN A 65 -7.007 8.244 -24.469 1.00 24.13 H new ATOM 0 HG2 GLN A 65 -6.734 10.327 -23.112 1.00 24.31 H new ATOM 0 HG3 GLN A 65 -5.540 9.506 -22.127 1.00 24.31 H new ATOM 0 HE21 GLN A 65 -3.483 9.903 -22.647 1.00 4.34 H new ATOM 0 HE22 GLN A 65 -2.894 10.311 -24.261 1.00 4.34 H new ATOM 1036 N PRO A 66 -8.887 6.403 -24.108 1.00 44.22 N ATOM 1037 CA PRO A 66 -9.993 5.917 -24.940 1.00 65.12 C ATOM 1038 C PRO A 66 -11.107 5.286 -24.112 1.00 44.03 C ATOM 1039 O PRO A 66 -12.171 4.954 -24.636 1.00 12.43 O ATOM 1040 CB PRO A 66 -9.329 4.866 -25.833 1.00 24.41 C ATOM 1041 CG PRO A 66 -8.146 4.401 -25.056 1.00 60.14 C ATOM 1042 CD PRO A 66 -7.669 5.595 -24.276 1.00 73.11 C ATOM 0 HA PRO A 66 -10.473 6.724 -25.493 1.00 65.12 H new ATOM 0 HB2 PRO A 66 -10.010 4.042 -26.048 1.00 24.41 H new ATOM 0 HB3 PRO A 66 -9.031 5.292 -26.791 1.00 24.41 H new ATOM 0 HG2 PRO A 66 -8.414 3.581 -24.390 1.00 60.14 H new ATOM 0 HG3 PRO A 66 -7.364 4.030 -25.719 1.00 60.14 H new ATOM 0 HD2 PRO A 66 -7.245 5.304 -23.315 1.00 73.11 H new ATOM 0 HD3 PRO A 66 -6.895 6.143 -24.813 1.00 73.11 H new ATOM 1050 N SER A 67 -10.857 5.124 -22.816 1.00 44.04 N ATOM 1051 CA SER A 67 -11.838 4.530 -21.917 1.00 62.33 C ATOM 1052 C SER A 67 -12.560 5.607 -21.112 1.00 4.43 C ATOM 1053 O SER A 67 -13.549 5.331 -20.431 1.00 12.12 O ATOM 1054 CB SER A 67 -11.159 3.539 -20.970 1.00 21.20 C ATOM 1055 OG SER A 67 -10.594 2.454 -21.686 1.00 43.22 O ATOM 0 H SER A 67 -9.983 5.396 -22.366 1.00 44.04 H new ATOM 0 HA SER A 67 -12.573 3.999 -22.522 1.00 62.33 H new ATOM 0 HB2 SER A 67 -10.381 4.049 -20.402 1.00 21.20 H new ATOM 0 HB3 SER A 67 -11.886 3.164 -20.249 1.00 21.20 H new ATOM 0 HG SER A 67 -9.660 2.656 -21.903 1.00 43.22 H new ATOM 1061 N LEU A 68 -12.059 6.834 -21.196 1.00 1.11 N ATOM 1062 CA LEU A 68 -12.655 7.955 -20.476 1.00 54.50 C ATOM 1063 C LEU A 68 -14.120 8.132 -20.861 1.00 44.14 C ATOM 1064 O LEU A 68 -14.912 8.675 -20.092 1.00 51.41 O ATOM 1065 CB LEU A 68 -11.880 9.241 -20.765 1.00 4.22 C ATOM 1066 CG LEU A 68 -10.575 9.427 -19.991 1.00 10.25 C ATOM 1067 CD1 LEU A 68 -9.634 10.352 -20.744 1.00 71.54 C ATOM 1068 CD2 LEU A 68 -10.854 9.967 -18.595 1.00 61.54 C ATOM 0 H LEU A 68 -11.242 7.079 -21.755 1.00 1.11 H new ATOM 0 HA LEU A 68 -12.603 7.739 -19.409 1.00 54.50 H new ATOM 0 HB2 LEU A 68 -11.655 9.274 -21.831 1.00 4.22 H new ATOM 0 HB3 LEU A 68 -12.530 10.089 -20.551 1.00 4.22 H new ATOM 0 HG LEU A 68 -10.093 8.455 -19.893 1.00 10.25 H new ATOM 0 HD11 LEU A 68 -8.711 10.472 -20.177 1.00 71.54 H new ATOM 0 HD12 LEU A 68 -9.407 9.924 -21.720 1.00 71.54 H new ATOM 0 HD13 LEU A 68 -10.108 11.325 -20.875 1.00 71.54 H new ATOM 0 HD21 LEU A 68 -9.913 10.093 -18.059 1.00 61.54 H new ATOM 0 HD22 LEU A 68 -11.360 10.930 -18.672 1.00 61.54 H new ATOM 0 HD23 LEU A 68 -11.489 9.266 -18.054 1.00 61.54 H new ATOM 1080 N GLN A 69 -14.472 7.670 -22.056 1.00 72.04 N ATOM 1081 CA GLN A 69 -15.842 7.776 -22.543 1.00 23.41 C ATOM 1082 C GLN A 69 -16.830 7.243 -21.511 1.00 21.13 C ATOM 1083 O GLN A 69 -17.830 7.891 -21.198 1.00 42.22 O ATOM 1084 CB GLN A 69 -16.001 7.013 -23.859 1.00 51.52 C ATOM 1085 CG GLN A 69 -17.048 7.608 -24.786 1.00 42.32 C ATOM 1086 CD GLN A 69 -18.036 6.573 -25.290 1.00 11.22 C ATOM 1087 OE1 GLN A 69 -17.743 5.821 -26.220 1.00 2.13 O ATOM 1088 NE2 GLN A 69 -19.213 6.531 -24.678 1.00 1.30 N ATOM 0 H GLN A 69 -13.827 7.219 -22.705 1.00 72.04 H new ATOM 0 HA GLN A 69 -16.057 8.831 -22.715 1.00 23.41 H new ATOM 0 HB2 GLN A 69 -15.041 6.992 -24.375 1.00 51.52 H new ATOM 0 HB3 GLN A 69 -16.268 5.979 -23.640 1.00 51.52 H new ATOM 0 HG2 GLN A 69 -17.588 8.395 -24.260 1.00 42.32 H new ATOM 0 HG3 GLN A 69 -16.552 8.076 -25.636 1.00 42.32 H new ATOM 0 HE21 GLN A 69 -19.412 7.174 -23.911 1.00 1.30 H new ATOM 0 HE22 GLN A 69 -19.918 5.856 -24.974 1.00 1.30 H new ATOM 1097 N THR A 70 -16.543 6.057 -20.982 1.00 64.34 N ATOM 1098 CA THR A 70 -17.406 5.435 -19.986 1.00 63.10 C ATOM 1099 C THR A 70 -16.590 4.849 -18.840 1.00 33.12 C ATOM 1100 O THR A 70 -16.801 3.708 -18.434 1.00 43.14 O ATOM 1101 CB THR A 70 -18.271 4.322 -20.607 1.00 52.43 C ATOM 1102 OG1 THR A 70 -18.496 4.593 -21.995 1.00 71.42 O ATOM 1103 CG2 THR A 70 -19.604 4.205 -19.885 1.00 25.24 C ATOM 0 H THR A 70 -15.719 5.508 -21.227 1.00 64.34 H new ATOM 0 HA THR A 70 -18.058 6.219 -19.600 1.00 63.10 H new ATOM 0 HB THR A 70 -17.737 3.378 -20.504 1.00 52.43 H new ATOM 0 HG1 THR A 70 -19.045 3.880 -22.383 1.00 71.42 H new ATOM 0 HG21 THR A 70 -20.197 3.413 -20.342 1.00 25.24 H new ATOM 0 HG22 THR A 70 -19.430 3.969 -18.835 1.00 25.24 H new ATOM 0 HG23 THR A 70 -20.142 5.150 -19.960 1.00 25.24 H new ATOM 1111 N GLY A 71 -15.655 5.640 -18.320 1.00 3.23 N ATOM 1112 CA GLY A 71 -14.820 5.182 -17.224 1.00 64.12 C ATOM 1113 C GLY A 71 -15.372 5.579 -15.870 1.00 65.34 C ATOM 1114 O GLY A 71 -15.666 6.751 -15.631 1.00 70.23 O ATOM 0 H GLY A 71 -15.461 6.589 -18.638 1.00 3.23 H new ATOM 0 HA2 GLY A 71 -14.727 4.097 -17.271 1.00 64.12 H new ATOM 0 HA3 GLY A 71 -13.817 5.593 -17.339 1.00 64.12 H new ATOM 1118 N SER A 72 -15.516 4.602 -14.981 1.00 51.23 N ATOM 1119 CA SER A 72 -16.042 4.855 -13.644 1.00 55.23 C ATOM 1120 C SER A 72 -15.174 5.867 -12.902 1.00 21.31 C ATOM 1121 O SER A 72 -14.094 6.232 -13.365 1.00 65.13 O ATOM 1122 CB SER A 72 -16.118 3.551 -12.848 1.00 50.32 C ATOM 1123 OG SER A 72 -14.834 2.972 -12.694 1.00 2.34 O ATOM 0 H SER A 72 -15.276 3.627 -15.162 1.00 51.23 H new ATOM 0 HA SER A 72 -17.045 5.269 -13.747 1.00 55.23 H new ATOM 0 HB2 SER A 72 -16.553 3.745 -11.868 1.00 50.32 H new ATOM 0 HB3 SER A 72 -16.778 2.849 -13.357 1.00 50.32 H new ATOM 0 HG SER A 72 -14.909 2.141 -12.180 1.00 2.34 H new ATOM 1129 N GLU A 73 -15.656 6.316 -11.747 1.00 43.05 N ATOM 1130 CA GLU A 73 -14.926 7.287 -10.941 1.00 1.50 C ATOM 1131 C GLU A 73 -13.482 6.842 -10.729 1.00 51.32 C ATOM 1132 O GLU A 73 -12.568 7.664 -10.695 1.00 54.41 O ATOM 1133 CB GLU A 73 -15.615 7.481 -9.589 1.00 60.21 C ATOM 1134 CG GLU A 73 -15.192 8.749 -8.867 1.00 33.24 C ATOM 1135 CD GLU A 73 -15.336 9.988 -9.729 1.00 44.25 C ATOM 1136 OE1 GLU A 73 -16.226 9.999 -10.607 1.00 23.34 O ATOM 1137 OE2 GLU A 73 -14.561 10.946 -9.529 1.00 4.44 O ATOM 0 H GLU A 73 -16.548 6.023 -11.349 1.00 43.05 H new ATOM 0 HA GLU A 73 -14.921 8.236 -11.478 1.00 1.50 H new ATOM 0 HB2 GLU A 73 -16.694 7.502 -9.740 1.00 60.21 H new ATOM 0 HB3 GLU A 73 -15.399 6.622 -8.954 1.00 60.21 H new ATOM 0 HG2 GLU A 73 -15.793 8.867 -7.965 1.00 33.24 H new ATOM 0 HG3 GLU A 73 -14.154 8.652 -8.548 1.00 33.24 H new ATOM 1144 N GLU A 74 -13.287 5.534 -10.586 1.00 64.44 N ATOM 1145 CA GLU A 74 -11.955 4.980 -10.376 1.00 44.10 C ATOM 1146 C GLU A 74 -11.027 5.340 -11.532 1.00 60.44 C ATOM 1147 O GLU A 74 -9.842 5.611 -11.332 1.00 22.22 O ATOM 1148 CB GLU A 74 -12.029 3.459 -10.222 1.00 64.04 C ATOM 1149 CG GLU A 74 -11.826 2.980 -8.796 1.00 30.44 C ATOM 1150 CD GLU A 74 -12.486 1.641 -8.529 1.00 61.44 C ATOM 1151 OE1 GLU A 74 -13.722 1.550 -8.676 1.00 4.35 O ATOM 1152 OE2 GLU A 74 -11.765 0.686 -8.175 1.00 12.22 O ATOM 0 H GLU A 74 -14.034 4.840 -10.612 1.00 64.44 H new ATOM 0 HA GLU A 74 -11.551 5.412 -9.460 1.00 44.10 H new ATOM 0 HB2 GLU A 74 -13.000 3.113 -10.577 1.00 64.04 H new ATOM 0 HB3 GLU A 74 -11.274 3.001 -10.861 1.00 64.04 H new ATOM 0 HG2 GLU A 74 -10.758 2.901 -8.592 1.00 30.44 H new ATOM 0 HG3 GLU A 74 -12.228 3.723 -8.107 1.00 30.44 H new ATOM 1159 N LEU A 75 -11.574 5.341 -12.743 1.00 74.15 N ATOM 1160 CA LEU A 75 -10.795 5.668 -13.934 1.00 41.31 C ATOM 1161 C LEU A 75 -10.351 7.127 -13.911 1.00 25.23 C ATOM 1162 O LEU A 75 -9.223 7.449 -14.282 1.00 11.41 O ATOM 1163 CB LEU A 75 -11.616 5.392 -15.195 1.00 52.02 C ATOM 1164 CG LEU A 75 -10.835 4.877 -16.405 1.00 33.12 C ATOM 1165 CD1 LEU A 75 -11.436 3.576 -16.913 1.00 52.03 C ATOM 1166 CD2 LEU A 75 -10.811 5.923 -17.509 1.00 30.40 C ATOM 0 H LEU A 75 -12.553 5.119 -12.927 1.00 74.15 H new ATOM 0 HA LEU A 75 -9.906 5.038 -13.941 1.00 41.31 H new ATOM 0 HB2 LEU A 75 -12.388 4.663 -14.949 1.00 52.02 H new ATOM 0 HB3 LEU A 75 -12.125 6.312 -15.481 1.00 52.02 H new ATOM 0 HG LEU A 75 -9.808 4.682 -16.095 1.00 33.12 H new ATOM 0 HD11 LEU A 75 -10.868 3.224 -17.774 1.00 52.03 H new ATOM 0 HD12 LEU A 75 -11.400 2.826 -16.123 1.00 52.03 H new ATOM 0 HD13 LEU A 75 -12.472 3.744 -17.206 1.00 52.03 H new ATOM 0 HD21 LEU A 75 -10.251 5.539 -18.362 1.00 30.40 H new ATOM 0 HD22 LEU A 75 -11.832 6.150 -17.817 1.00 30.40 H new ATOM 0 HD23 LEU A 75 -10.333 6.831 -17.140 1.00 30.40 H new ATOM 1178 N ARG A 76 -11.246 8.005 -13.470 1.00 63.21 N ATOM 1179 CA ARG A 76 -10.947 9.431 -13.398 1.00 14.33 C ATOM 1180 C ARG A 76 -9.788 9.694 -12.440 1.00 2.12 C ATOM 1181 O ARG A 76 -8.836 10.395 -12.781 1.00 13.34 O ATOM 1182 CB ARG A 76 -12.183 10.210 -12.948 1.00 31.43 C ATOM 1183 CG ARG A 76 -12.773 11.097 -14.033 1.00 1.43 C ATOM 1184 CD ARG A 76 -13.143 12.468 -13.491 1.00 62.43 C ATOM 1185 NE ARG A 76 -14.349 12.425 -12.668 1.00 1.41 N ATOM 1186 CZ ARG A 76 -15.577 12.336 -13.166 1.00 50.02 C ATOM 1187 NH1 ARG A 76 -15.761 12.283 -14.478 1.00 35.00 N ATOM 1188 NH2 ARG A 76 -16.624 12.301 -12.353 1.00 3.45 N ATOM 0 H ARG A 76 -12.184 7.754 -13.157 1.00 63.21 H new ATOM 0 HA ARG A 76 -10.657 9.768 -14.393 1.00 14.33 H new ATOM 0 HB2 ARG A 76 -12.944 9.505 -12.613 1.00 31.43 H new ATOM 0 HB3 ARG A 76 -11.920 10.827 -12.089 1.00 31.43 H new ATOM 0 HG2 ARG A 76 -12.054 11.207 -14.845 1.00 1.43 H new ATOM 0 HG3 ARG A 76 -13.658 10.620 -14.453 1.00 1.43 H new ATOM 0 HD2 ARG A 76 -12.315 12.860 -12.900 1.00 62.43 H new ATOM 0 HD3 ARG A 76 -13.296 13.157 -14.322 1.00 62.43 H new ATOM 0 HE ARG A 76 -14.242 12.466 -11.654 1.00 1.41 H new ATOM 0 HH11 ARG A 76 -14.959 12.311 -15.107 1.00 35.00 H new ATOM 0 HH12 ARG A 76 -16.705 12.215 -14.858 1.00 35.00 H new ATOM 0 HH21 ARG A 76 -16.487 12.342 -11.343 1.00 3.45 H new ATOM 0 HH22 ARG A 76 -17.566 12.233 -12.738 1.00 3.45 H new ATOM 1202 N SER A 77 -9.878 9.128 -11.240 1.00 63.20 N ATOM 1203 CA SER A 77 -8.840 9.306 -10.232 1.00 23.30 C ATOM 1204 C SER A 77 -7.480 8.876 -10.771 1.00 64.11 C ATOM 1205 O SER A 77 -6.481 9.576 -10.600 1.00 4.14 O ATOM 1206 CB SER A 77 -9.180 8.505 -8.974 1.00 4.23 C ATOM 1207 OG SER A 77 -10.064 9.226 -8.133 1.00 21.22 O ATOM 0 H SER A 77 -10.659 8.543 -10.943 1.00 63.20 H new ATOM 0 HA SER A 77 -8.792 10.365 -9.978 1.00 23.30 H new ATOM 0 HB2 SER A 77 -9.635 7.555 -9.256 1.00 4.23 H new ATOM 0 HB3 SER A 77 -8.265 8.271 -8.430 1.00 4.23 H new ATOM 0 HG SER A 77 -10.267 8.692 -7.337 1.00 21.22 H new ATOM 1213 N LEU A 78 -7.448 7.719 -11.422 1.00 41.12 N ATOM 1214 CA LEU A 78 -6.211 7.193 -11.988 1.00 52.22 C ATOM 1215 C LEU A 78 -5.663 8.126 -13.063 1.00 13.34 C ATOM 1216 O LEU A 78 -4.512 8.559 -12.996 1.00 44.34 O ATOM 1217 CB LEU A 78 -6.447 5.801 -12.577 1.00 53.41 C ATOM 1218 CG LEU A 78 -5.894 4.627 -11.768 1.00 11.31 C ATOM 1219 CD1 LEU A 78 -4.407 4.810 -11.508 1.00 60.33 C ATOM 1220 CD2 LEU A 78 -6.652 4.479 -10.457 1.00 23.13 C ATOM 0 H LEU A 78 -8.265 7.127 -11.571 1.00 41.12 H new ATOM 0 HA LEU A 78 -5.476 7.122 -11.186 1.00 52.22 H new ATOM 0 HB2 LEU A 78 -7.521 5.658 -12.700 1.00 53.41 H new ATOM 0 HB3 LEU A 78 -6.005 5.770 -13.573 1.00 53.41 H new ATOM 0 HG LEU A 78 -6.030 3.715 -12.349 1.00 11.31 H new ATOM 0 HD11 LEU A 78 -4.032 3.965 -10.931 1.00 60.33 H new ATOM 0 HD12 LEU A 78 -3.876 4.865 -12.458 1.00 60.33 H new ATOM 0 HD13 LEU A 78 -4.246 5.731 -10.948 1.00 60.33 H new ATOM 0 HD21 LEU A 78 -6.245 3.639 -9.894 1.00 23.13 H new ATOM 0 HD22 LEU A 78 -6.548 5.392 -9.871 1.00 23.13 H new ATOM 0 HD23 LEU A 78 -7.707 4.300 -10.665 1.00 23.13 H new ATOM 1232 N TYR A 79 -6.496 8.434 -14.051 1.00 74.41 N ATOM 1233 CA TYR A 79 -6.095 9.317 -15.141 1.00 35.00 C ATOM 1234 C TYR A 79 -5.523 10.623 -14.602 1.00 31.45 C ATOM 1235 O TYR A 79 -4.373 10.969 -14.871 1.00 13.13 O ATOM 1236 CB TYR A 79 -7.288 9.607 -16.054 1.00 33.31 C ATOM 1237 CG TYR A 79 -6.893 10.144 -17.411 1.00 42.53 C ATOM 1238 CD1 TYR A 79 -6.125 9.383 -18.284 1.00 13.33 C ATOM 1239 CD2 TYR A 79 -7.289 11.411 -17.822 1.00 40.33 C ATOM 1240 CE1 TYR A 79 -5.761 9.869 -19.525 1.00 64.13 C ATOM 1241 CE2 TYR A 79 -6.932 11.904 -19.061 1.00 45.45 C ATOM 1242 CZ TYR A 79 -6.169 11.129 -19.910 1.00 33.50 C ATOM 1243 OH TYR A 79 -5.810 11.618 -21.145 1.00 72.11 O ATOM 0 H TYR A 79 -7.452 8.086 -14.120 1.00 74.41 H new ATOM 0 HA TYR A 79 -5.319 8.813 -15.717 1.00 35.00 H new ATOM 0 HB2 TYR A 79 -7.864 8.691 -16.188 1.00 33.31 H new ATOM 0 HB3 TYR A 79 -7.944 10.327 -15.564 1.00 33.31 H new ATOM 0 HD1 TYR A 79 -5.807 8.394 -17.987 1.00 13.33 H new ATOM 0 HD2 TYR A 79 -7.887 12.021 -17.160 1.00 40.33 H new ATOM 0 HE1 TYR A 79 -5.160 9.266 -20.190 1.00 64.13 H new ATOM 0 HE2 TYR A 79 -7.248 12.891 -19.364 1.00 45.45 H new ATOM 0 HH TYR A 79 -6.179 12.518 -21.260 1.00 72.11 H new ATOM 1253 N ASN A 80 -6.335 11.347 -13.837 1.00 13.15 N ATOM 1254 CA ASN A 80 -5.910 12.617 -13.257 1.00 42.45 C ATOM 1255 C ASN A 80 -4.566 12.470 -12.552 1.00 53.23 C ATOM 1256 O ASN A 80 -3.616 13.197 -12.846 1.00 34.34 O ATOM 1257 CB ASN A 80 -6.963 13.128 -12.272 1.00 15.12 C ATOM 1258 CG ASN A 80 -8.072 13.899 -12.960 1.00 5.02 C ATOM 1259 OD1 ASN A 80 -8.100 14.008 -14.187 1.00 2.24 O ATOM 1260 ND2 ASN A 80 -8.995 14.437 -12.172 1.00 3.02 N ATOM 0 H ASN A 80 -7.290 11.076 -13.604 1.00 13.15 H new ATOM 0 HA ASN A 80 -5.798 13.339 -14.066 1.00 42.45 H new ATOM 0 HB2 ASN A 80 -7.392 12.284 -11.732 1.00 15.12 H new ATOM 0 HB3 ASN A 80 -6.484 13.769 -11.532 1.00 15.12 H new ATOM 0 HD21 ASN A 80 -9.767 14.966 -12.578 1.00 3.02 H new ATOM 0 HD22 ASN A 80 -8.932 14.322 -11.161 1.00 3.02 H new ATOM 1267 N THR A 81 -4.491 11.525 -11.621 1.00 43.41 N ATOM 1268 CA THR A 81 -3.263 11.283 -10.874 1.00 44.32 C ATOM 1269 C THR A 81 -2.102 10.968 -11.810 1.00 1.32 C ATOM 1270 O THR A 81 -1.115 11.703 -11.858 1.00 62.15 O ATOM 1271 CB THR A 81 -3.433 10.121 -9.876 1.00 55.43 C ATOM 1272 OG1 THR A 81 -4.570 10.356 -9.039 1.00 20.14 O ATOM 1273 CG2 THR A 81 -2.189 9.960 -9.017 1.00 34.42 C ATOM 0 H THR A 81 -5.267 10.914 -11.366 1.00 43.41 H new ATOM 0 HA THR A 81 -3.043 12.197 -10.323 1.00 44.32 H new ATOM 0 HB THR A 81 -3.585 9.203 -10.444 1.00 55.43 H new ATOM 0 HG1 THR A 81 -5.388 10.300 -9.575 1.00 20.14 H new ATOM 0 HG21 THR A 81 -2.332 9.134 -8.320 1.00 34.42 H new ATOM 0 HG22 THR A 81 -1.330 9.751 -9.655 1.00 34.42 H new ATOM 0 HG23 THR A 81 -2.011 10.879 -8.458 1.00 34.42 H new ATOM 1281 N ILE A 82 -2.227 9.872 -12.553 1.00 34.54 N ATOM 1282 CA ILE A 82 -1.188 9.463 -13.489 1.00 62.42 C ATOM 1283 C ILE A 82 -0.719 10.639 -14.339 1.00 14.35 C ATOM 1284 O ILE A 82 0.480 10.847 -14.520 1.00 34.13 O ATOM 1285 CB ILE A 82 -1.680 8.337 -14.418 1.00 13.23 C ATOM 1286 CG1 ILE A 82 -2.083 7.110 -13.598 1.00 62.11 C ATOM 1287 CG2 ILE A 82 -0.600 7.974 -15.427 1.00 65.33 C ATOM 1288 CD1 ILE A 82 -3.092 6.224 -14.294 1.00 10.21 C ATOM 0 H ILE A 82 -3.037 9.253 -12.524 1.00 34.54 H new ATOM 0 HA ILE A 82 -0.354 9.094 -12.893 1.00 62.42 H new ATOM 0 HB ILE A 82 -2.555 8.691 -14.962 1.00 13.23 H new ATOM 0 HG12 ILE A 82 -1.192 6.525 -13.373 1.00 62.11 H new ATOM 0 HG13 ILE A 82 -2.497 7.440 -12.645 1.00 62.11 H new ATOM 0 HG21 ILE A 82 -0.962 7.177 -16.077 1.00 65.33 H new ATOM 0 HG22 ILE A 82 -0.355 8.849 -16.029 1.00 65.33 H new ATOM 0 HG23 ILE A 82 0.292 7.635 -14.900 1.00 65.33 H new ATOM 0 HD11 ILE A 82 -3.332 5.374 -13.655 1.00 10.21 H new ATOM 0 HD12 ILE A 82 -3.999 6.794 -14.495 1.00 10.21 H new ATOM 0 HD13 ILE A 82 -2.673 5.865 -15.234 1.00 10.21 H new ATOM 1300 N ALA A 83 -1.673 11.406 -14.856 1.00 11.22 N ATOM 1301 CA ALA A 83 -1.357 12.564 -15.683 1.00 44.35 C ATOM 1302 C ALA A 83 -0.335 13.465 -15.000 1.00 21.25 C ATOM 1303 O ALA A 83 0.675 13.839 -15.594 1.00 71.04 O ATOM 1304 CB ALA A 83 -2.624 13.345 -16.003 1.00 13.32 C ATOM 0 H ALA A 83 -2.671 11.246 -14.717 1.00 11.22 H new ATOM 0 HA ALA A 83 -0.919 12.206 -16.615 1.00 44.35 H new ATOM 0 HB1 ALA A 83 -2.374 14.207 -16.621 1.00 13.32 H new ATOM 0 HB2 ALA A 83 -3.321 12.703 -16.541 1.00 13.32 H new ATOM 0 HB3 ALA A 83 -3.086 13.685 -15.076 1.00 13.32 H new ATOM 1310 N VAL A 84 -0.605 13.813 -13.745 1.00 4.33 N ATOM 1311 CA VAL A 84 0.290 14.671 -12.980 1.00 14.05 C ATOM 1312 C VAL A 84 1.667 14.032 -12.828 1.00 12.12 C ATOM 1313 O VAL A 84 2.692 14.695 -12.989 1.00 75.14 O ATOM 1314 CB VAL A 84 -0.279 14.973 -11.581 1.00 4.43 C ATOM 1315 CG1 VAL A 84 0.627 15.936 -10.830 1.00 11.23 C ATOM 1316 CG2 VAL A 84 -1.690 15.531 -11.690 1.00 42.52 C ATOM 0 H VAL A 84 -1.437 13.513 -13.237 1.00 4.33 H new ATOM 0 HA VAL A 84 0.383 15.604 -13.535 1.00 14.05 H new ATOM 0 HB VAL A 84 -0.323 14.041 -11.018 1.00 4.43 H new ATOM 0 HG11 VAL A 84 0.207 16.137 -9.844 1.00 11.23 H new ATOM 0 HG12 VAL A 84 1.617 15.493 -10.720 1.00 11.23 H new ATOM 0 HG13 VAL A 84 0.707 16.870 -11.387 1.00 11.23 H new ATOM 0 HG21 VAL A 84 -2.077 15.739 -10.692 1.00 42.52 H new ATOM 0 HG22 VAL A 84 -1.673 16.453 -12.272 1.00 42.52 H new ATOM 0 HG23 VAL A 84 -2.332 14.802 -12.184 1.00 42.52 H new ATOM 1326 N LEU A 85 1.682 12.741 -12.518 1.00 12.13 N ATOM 1327 CA LEU A 85 2.934 12.011 -12.345 1.00 31.10 C ATOM 1328 C LEU A 85 3.753 12.022 -13.631 1.00 62.33 C ATOM 1329 O LEU A 85 4.943 12.337 -13.619 1.00 44.11 O ATOM 1330 CB LEU A 85 2.651 10.568 -11.920 1.00 30.52 C ATOM 1331 CG LEU A 85 3.787 9.849 -11.192 1.00 75.33 C ATOM 1332 CD1 LEU A 85 3.926 10.371 -9.771 1.00 13.11 C ATOM 1333 CD2 LEU A 85 3.550 8.345 -11.189 1.00 71.33 C ATOM 0 H LEU A 85 0.843 12.178 -12.381 1.00 12.13 H new ATOM 0 HA LEU A 85 3.511 12.508 -11.565 1.00 31.10 H new ATOM 0 HB2 LEU A 85 1.773 10.566 -11.274 1.00 30.52 H new ATOM 0 HB3 LEU A 85 2.394 9.992 -12.809 1.00 30.52 H new ATOM 0 HG LEU A 85 4.718 10.050 -11.723 1.00 75.33 H new ATOM 0 HD11 LEU A 85 4.739 9.847 -9.269 1.00 13.11 H new ATOM 0 HD12 LEU A 85 4.142 11.439 -9.795 1.00 13.11 H new ATOM 0 HD13 LEU A 85 2.996 10.201 -9.228 1.00 13.11 H new ATOM 0 HD21 LEU A 85 4.368 7.849 -10.667 1.00 71.33 H new ATOM 0 HD22 LEU A 85 2.610 8.126 -10.682 1.00 71.33 H new ATOM 0 HD23 LEU A 85 3.502 7.982 -12.216 1.00 71.33 H new ATOM 1345 N TYR A 86 3.107 11.678 -14.740 1.00 71.32 N ATOM 1346 CA TYR A 86 3.776 11.649 -16.036 1.00 62.14 C ATOM 1347 C TYR A 86 4.459 12.981 -16.327 1.00 20.02 C ATOM 1348 O TYR A 86 5.622 13.020 -16.732 1.00 3.30 O ATOM 1349 CB TYR A 86 2.772 11.325 -17.144 1.00 2.44 C ATOM 1350 CG TYR A 86 3.286 11.625 -18.533 1.00 72.14 C ATOM 1351 CD1 TYR A 86 4.255 10.824 -19.126 1.00 32.33 C ATOM 1352 CD2 TYR A 86 2.802 12.709 -19.255 1.00 72.33 C ATOM 1353 CE1 TYR A 86 4.729 11.096 -20.394 1.00 43.03 C ATOM 1354 CE2 TYR A 86 3.269 12.987 -20.526 1.00 42.21 C ATOM 1355 CZ TYR A 86 4.233 12.178 -21.091 1.00 2.22 C ATOM 1356 OH TYR A 86 4.700 12.451 -22.356 1.00 13.32 O ATOM 0 H TYR A 86 2.122 11.416 -14.768 1.00 71.32 H new ATOM 0 HA TYR A 86 4.538 10.870 -16.006 1.00 62.14 H new ATOM 0 HB2 TYR A 86 2.506 10.270 -17.084 1.00 2.44 H new ATOM 0 HB3 TYR A 86 1.858 11.894 -16.973 1.00 2.44 H new ATOM 0 HD1 TYR A 86 4.644 9.974 -18.585 1.00 32.33 H new ATOM 0 HD2 TYR A 86 2.048 13.345 -18.816 1.00 72.33 H new ATOM 0 HE1 TYR A 86 5.484 10.465 -20.838 1.00 43.03 H new ATOM 0 HE2 TYR A 86 2.881 13.833 -21.074 1.00 42.21 H new ATOM 0 HH TYR A 86 4.247 13.246 -22.708 1.00 13.32 H new ATOM 1366 N CYS A 87 3.729 14.071 -16.118 1.00 25.14 N ATOM 1367 CA CYS A 87 4.263 15.407 -16.358 1.00 11.44 C ATOM 1368 C CYS A 87 5.479 15.673 -15.476 1.00 1.52 C ATOM 1369 O CYS A 87 6.388 16.408 -15.860 1.00 21.33 O ATOM 1370 CB CYS A 87 3.188 16.463 -16.096 1.00 72.20 C ATOM 1371 SG CYS A 87 2.091 16.763 -17.502 1.00 1.15 S ATOM 0 H CYS A 87 2.766 14.056 -15.783 1.00 25.14 H new ATOM 0 HA CYS A 87 4.573 15.465 -17.401 1.00 11.44 H new ATOM 0 HB2 CYS A 87 2.588 16.151 -15.241 1.00 72.20 H new ATOM 0 HB3 CYS A 87 3.673 17.400 -15.821 1.00 72.20 H new ATOM 0 HG CYS A 87 1.215 17.669 -17.183 1.00 1.15 H new ATOM 1377 N VAL A 88 5.488 15.069 -14.292 1.00 1.35 N ATOM 1378 CA VAL A 88 6.592 15.241 -13.354 1.00 43.43 C ATOM 1379 C VAL A 88 7.880 14.639 -13.907 1.00 3.40 C ATOM 1380 O VAL A 88 8.969 15.172 -13.691 1.00 41.34 O ATOM 1381 CB VAL A 88 6.279 14.592 -11.993 1.00 63.40 C ATOM 1382 CG1 VAL A 88 7.454 14.752 -11.042 1.00 35.42 C ATOM 1383 CG2 VAL A 88 5.014 15.191 -11.397 1.00 21.33 C ATOM 0 H VAL A 88 4.744 14.456 -13.959 1.00 1.35 H new ATOM 0 HA VAL A 88 6.725 16.314 -13.214 1.00 43.43 H new ATOM 0 HB VAL A 88 6.111 13.526 -12.148 1.00 63.40 H new ATOM 0 HG11 VAL A 88 7.214 14.287 -10.086 1.00 35.42 H new ATOM 0 HG12 VAL A 88 8.335 14.272 -11.468 1.00 35.42 H new ATOM 0 HG13 VAL A 88 7.657 15.812 -10.889 1.00 35.42 H new ATOM 0 HG21 VAL A 88 4.807 14.721 -10.435 1.00 21.33 H new ATOM 0 HG22 VAL A 88 5.151 16.263 -11.255 1.00 21.33 H new ATOM 0 HG23 VAL A 88 4.176 15.018 -12.073 1.00 21.33 H new ATOM 1393 N HIS A 89 7.749 13.525 -14.620 1.00 24.12 N ATOM 1394 CA HIS A 89 8.902 12.850 -15.205 1.00 65.41 C ATOM 1395 C HIS A 89 9.438 13.631 -16.402 1.00 24.12 C ATOM 1396 O HIS A 89 10.657 13.642 -16.569 1.00 43.22 O ATOM 1397 CB HIS A 89 8.526 11.431 -15.635 1.00 23.51 C ATOM 1398 CG HIS A 89 8.401 10.472 -14.491 1.00 35.52 C ATOM 1399 ND1 HIS A 89 9.127 10.594 -13.325 1.00 61.30 N ATOM 1400 CD2 HIS A 89 7.628 9.372 -14.338 1.00 71.33 C ATOM 1401 CE1 HIS A 89 8.805 9.610 -12.504 1.00 41.45 C ATOM 1402 NE2 HIS A 89 7.897 8.854 -13.096 1.00 61.33 N ATOM 0 H HIS A 89 6.855 13.070 -14.807 1.00 24.12 H new ATOM 0 HA HIS A 89 9.684 12.797 -14.447 1.00 65.41 H new ATOM 0 HB2 HIS A 89 7.581 11.463 -16.177 1.00 23.51 H new ATOM 0 HB3 HIS A 89 9.279 11.059 -16.330 1.00 23.51 H new ATOM 0 HD1 HIS A 89 9.806 11.329 -13.127 1.00 61.30 H new ATOM 0 HD2 HIS A 89 6.929 8.975 -15.059 1.00 71.33 H new ATOM 0 HE1 HIS A 89 9.214 9.451 -11.517 1.00 41.45 H new ATOM 0 HE2 HIS A 89 7.466 8.021 -12.695 1.00 61.33 H new ATOM 1411 N GLN A 90 8.590 14.262 -17.209 1.00 45.50 N ATOM 1412 CA GLN A 90 9.056 15.019 -18.364 1.00 30.44 C ATOM 1413 C GLN A 90 9.476 16.428 -17.958 1.00 1.20 C ATOM 1414 O GLN A 90 9.603 17.316 -18.801 1.00 42.12 O ATOM 1415 CB GLN A 90 7.962 15.089 -19.431 1.00 4.52 C ATOM 1416 CG GLN A 90 7.814 13.807 -20.235 1.00 4.44 C ATOM 1417 CD GLN A 90 9.033 13.507 -21.085 1.00 30.22 C ATOM 1418 OE1 GLN A 90 9.227 12.237 -21.416 1.00 60.44 O flip ATOM 1419 NE2 GLN A 90 9.793 14.409 -21.439 1.00 10.31 N flip ATOM 0 H GLN A 90 7.578 14.264 -17.084 1.00 45.50 H new ATOM 0 HA GLN A 90 9.924 14.505 -18.777 1.00 30.44 H new ATOM 0 HB2 GLN A 90 7.011 15.318 -18.950 1.00 4.52 H new ATOM 0 HB3 GLN A 90 8.182 15.912 -20.112 1.00 4.52 H new ATOM 0 HG2 GLN A 90 7.637 12.974 -19.554 1.00 4.44 H new ATOM 0 HG3 GLN A 90 6.938 13.885 -20.878 1.00 4.44 H new ATOM 0 HE21 GLN A 90 9.605 15.372 -21.161 1.00 10.31 H new ATOM 0 HE22 GLN A 90 10.610 14.193 -22.010 1.00 10.31 H new ATOM 1428 N ARG A 91 9.690 16.626 -16.661 1.00 44.31 N ATOM 1429 CA ARG A 91 10.094 17.928 -16.144 1.00 4.22 C ATOM 1430 C ARG A 91 9.055 18.993 -16.480 1.00 10.42 C ATOM 1431 O ARG A 91 9.400 20.114 -16.856 1.00 51.30 O ATOM 1432 CB ARG A 91 11.454 18.328 -16.717 1.00 74.31 C ATOM 1433 CG ARG A 91 12.335 19.076 -15.729 1.00 51.22 C ATOM 1434 CD ARG A 91 13.086 20.214 -16.403 1.00 61.41 C ATOM 1435 NE ARG A 91 14.309 20.564 -15.685 1.00 25.11 N ATOM 1436 CZ ARG A 91 15.437 19.870 -15.775 1.00 74.35 C ATOM 1437 NH1 ARG A 91 15.499 18.794 -16.548 1.00 71.44 N ATOM 1438 NH2 ARG A 91 16.509 20.251 -15.091 1.00 21.53 N ATOM 0 H ARG A 91 9.590 15.902 -15.950 1.00 44.31 H new ATOM 0 HA ARG A 91 10.173 17.852 -15.060 1.00 4.22 H new ATOM 0 HB2 ARG A 91 11.976 17.431 -17.050 1.00 74.31 H new ATOM 0 HB3 ARG A 91 11.299 18.952 -17.597 1.00 74.31 H new ATOM 0 HG2 ARG A 91 11.721 19.472 -14.920 1.00 51.22 H new ATOM 0 HG3 ARG A 91 13.047 18.385 -15.279 1.00 51.22 H new ATOM 0 HD2 ARG A 91 13.335 19.929 -17.425 1.00 61.41 H new ATOM 0 HD3 ARG A 91 12.439 21.089 -16.465 1.00 61.41 H new ATOM 0 HE ARG A 91 14.296 21.386 -15.082 1.00 25.11 H new ATOM 0 HH11 ARG A 91 14.678 18.497 -17.076 1.00 71.44 H new ATOM 0 HH12 ARG A 91 16.368 18.263 -16.615 1.00 71.44 H new ATOM 0 HH21 ARG A 91 16.467 21.078 -14.495 1.00 21.53 H new ATOM 0 HH22 ARG A 91 17.375 19.717 -15.161 1.00 21.53 H new ATOM 1452 N ILE A 92 7.783 18.636 -16.341 1.00 45.31 N ATOM 1453 CA ILE A 92 6.694 19.561 -16.629 1.00 5.11 C ATOM 1454 C ILE A 92 5.983 19.988 -15.350 1.00 64.04 C ATOM 1455 O ILE A 92 5.482 19.152 -14.597 1.00 22.00 O ATOM 1456 CB ILE A 92 5.665 18.938 -17.592 1.00 40.50 C ATOM 1457 CG1 ILE A 92 6.362 18.421 -18.853 1.00 32.33 C ATOM 1458 CG2 ILE A 92 4.593 19.955 -17.951 1.00 42.54 C ATOM 1459 CD1 ILE A 92 5.419 17.771 -19.841 1.00 20.52 C ATOM 0 H ILE A 92 7.481 17.713 -16.031 1.00 45.31 H new ATOM 0 HA ILE A 92 7.140 20.435 -17.103 1.00 5.11 H new ATOM 0 HB ILE A 92 5.186 18.095 -17.094 1.00 40.50 H new ATOM 0 HG12 ILE A 92 6.873 19.251 -19.342 1.00 32.33 H new ATOM 0 HG13 ILE A 92 7.128 17.700 -18.566 1.00 32.33 H new ATOM 0 HG21 ILE A 92 3.873 19.500 -18.632 1.00 42.54 H new ATOM 0 HG22 ILE A 92 4.081 20.279 -17.045 1.00 42.54 H new ATOM 0 HG23 ILE A 92 5.055 20.816 -18.434 1.00 42.54 H new ATOM 0 HD11 ILE A 92 5.981 17.428 -20.710 1.00 20.52 H new ATOM 0 HD12 ILE A 92 4.927 16.921 -19.369 1.00 20.52 H new ATOM 0 HD13 ILE A 92 4.668 18.495 -20.158 1.00 20.52 H new ATOM 1471 N ASP A 93 5.939 21.295 -15.112 1.00 14.44 N ATOM 1472 CA ASP A 93 5.287 21.834 -13.925 1.00 5.01 C ATOM 1473 C ASP A 93 3.936 22.449 -14.280 1.00 74.41 C ATOM 1474 O ASP A 93 3.854 23.353 -15.112 1.00 42.22 O ATOM 1475 CB ASP A 93 6.179 22.881 -13.257 1.00 71.13 C ATOM 1476 CG ASP A 93 5.888 23.033 -11.777 1.00 44.32 C ATOM 1477 OD1 ASP A 93 4.957 22.360 -11.285 1.00 24.55 O ATOM 1478 OD2 ASP A 93 6.590 23.821 -11.111 1.00 72.24 O ATOM 0 H ASP A 93 6.347 22.000 -15.726 1.00 14.44 H new ATOM 0 HA ASP A 93 5.121 21.013 -13.227 1.00 5.01 H new ATOM 0 HB2 ASP A 93 7.224 22.602 -13.392 1.00 71.13 H new ATOM 0 HB3 ASP A 93 6.039 23.842 -13.752 1.00 71.13 H new ATOM 1483 N VAL A 94 2.880 21.953 -13.644 1.00 4.42 N ATOM 1484 CA VAL A 94 1.533 22.454 -13.893 1.00 13.42 C ATOM 1485 C VAL A 94 1.011 23.242 -12.697 1.00 21.51 C ATOM 1486 O VAL A 94 1.571 23.176 -11.602 1.00 63.34 O ATOM 1487 CB VAL A 94 0.556 21.304 -14.202 1.00 44.23 C ATOM 1488 CG1 VAL A 94 0.893 20.661 -15.539 1.00 4.52 C ATOM 1489 CG2 VAL A 94 0.575 20.272 -13.084 1.00 72.45 C ATOM 0 H VAL A 94 2.931 21.205 -12.953 1.00 4.42 H new ATOM 0 HA VAL A 94 1.594 23.112 -14.760 1.00 13.42 H new ATOM 0 HB VAL A 94 -0.451 21.715 -14.268 1.00 44.23 H new ATOM 0 HG11 VAL A 94 0.192 19.851 -15.740 1.00 4.52 H new ATOM 0 HG12 VAL A 94 0.821 21.407 -16.330 1.00 4.52 H new ATOM 0 HG13 VAL A 94 1.907 20.263 -15.506 1.00 4.52 H new ATOM 0 HG21 VAL A 94 -0.121 19.467 -13.320 1.00 72.45 H new ATOM 0 HG22 VAL A 94 1.581 19.864 -12.983 1.00 72.45 H new ATOM 0 HG23 VAL A 94 0.279 20.745 -12.147 1.00 72.45 H new ATOM 1499 N LYS A 95 -0.066 23.990 -12.913 1.00 40.43 N ATOM 1500 CA LYS A 95 -0.668 24.791 -11.854 1.00 15.14 C ATOM 1501 C LYS A 95 -1.600 23.944 -10.993 1.00 52.05 C ATOM 1502 O LYS A 95 -1.959 24.334 -9.882 1.00 72.01 O ATOM 1503 CB LYS A 95 -1.438 25.970 -12.453 1.00 11.50 C ATOM 1504 CG LYS A 95 -0.671 27.280 -12.416 1.00 13.30 C ATOM 1505 CD LYS A 95 -1.396 28.372 -13.183 1.00 73.14 C ATOM 1506 CE LYS A 95 -1.119 28.282 -14.676 1.00 62.24 C ATOM 1507 NZ LYS A 95 -2.377 28.272 -15.473 1.00 41.33 N ATOM 0 H LYS A 95 -0.540 24.058 -13.813 1.00 40.43 H new ATOM 0 HA LYS A 95 0.133 25.173 -11.221 1.00 15.14 H new ATOM 0 HB2 LYS A 95 -1.694 25.738 -13.487 1.00 11.50 H new ATOM 0 HB3 LYS A 95 -2.376 26.093 -11.912 1.00 11.50 H new ATOM 0 HG2 LYS A 95 -0.532 27.592 -11.381 1.00 13.30 H new ATOM 0 HG3 LYS A 95 0.322 27.133 -12.841 1.00 13.30 H new ATOM 0 HD2 LYS A 95 -2.468 28.292 -13.005 1.00 73.14 H new ATOM 0 HD3 LYS A 95 -1.083 29.348 -12.812 1.00 73.14 H new ATOM 0 HE2 LYS A 95 -0.501 29.126 -14.982 1.00 62.24 H new ATOM 0 HE3 LYS A 95 -0.549 27.377 -14.886 1.00 62.24 H new ATOM 0 HZ1 LYS A 95 -2.188 28.645 -16.425 1.00 41.33 H new ATOM 0 HZ2 LYS A 95 -2.733 27.298 -15.547 1.00 41.33 H new ATOM 0 HZ3 LYS A 95 -3.090 28.866 -15.004 1.00 41.33 H new ATOM 1521 N ASP A 96 -1.987 22.785 -11.513 1.00 45.14 N ATOM 1522 CA ASP A 96 -2.877 21.883 -10.791 1.00 55.41 C ATOM 1523 C ASP A 96 -3.210 20.657 -11.637 1.00 71.42 C ATOM 1524 O ASP A 96 -2.732 20.517 -12.763 1.00 54.23 O ATOM 1525 CB ASP A 96 -4.162 22.608 -10.393 1.00 64.14 C ATOM 1526 CG ASP A 96 -4.663 23.538 -11.481 1.00 52.14 C ATOM 1527 OD1 ASP A 96 -5.093 23.035 -12.540 1.00 14.40 O ATOM 1528 OD2 ASP A 96 -4.625 24.769 -11.274 1.00 11.31 O ATOM 0 H ASP A 96 -1.699 22.448 -12.431 1.00 45.14 H new ATOM 0 HA ASP A 96 -2.364 21.552 -9.888 1.00 55.41 H new ATOM 0 HB2 ASP A 96 -4.934 21.873 -10.163 1.00 64.14 H new ATOM 0 HB3 ASP A 96 -3.986 23.181 -9.482 1.00 64.14 H new ATOM 1533 N THR A 97 -4.035 19.771 -11.087 1.00 14.34 N ATOM 1534 CA THR A 97 -4.431 18.557 -11.788 1.00 75.25 C ATOM 1535 C THR A 97 -5.249 18.884 -13.033 1.00 53.51 C ATOM 1536 O THR A 97 -5.506 18.013 -13.865 1.00 24.01 O ATOM 1537 CB THR A 97 -5.252 17.625 -10.878 1.00 51.31 C ATOM 1538 OG1 THR A 97 -4.547 17.388 -9.655 1.00 54.30 O ATOM 1539 CG2 THR A 97 -5.533 16.300 -11.572 1.00 72.03 C ATOM 0 H THR A 97 -4.442 19.872 -10.157 1.00 14.34 H new ATOM 0 HA THR A 97 -3.513 18.048 -12.082 1.00 75.25 H new ATOM 0 HB THR A 97 -6.203 18.112 -10.660 1.00 51.31 H new ATOM 0 HG1 THR A 97 -4.198 16.472 -9.651 1.00 54.30 H new ATOM 0 HG21 THR A 97 -6.114 15.658 -10.910 1.00 72.03 H new ATOM 0 HG22 THR A 97 -6.096 16.481 -12.488 1.00 72.03 H new ATOM 0 HG23 THR A 97 -4.590 15.810 -11.816 1.00 72.03 H new ATOM 1547 N LYS A 98 -5.654 20.143 -13.156 1.00 10.14 N ATOM 1548 CA LYS A 98 -6.441 20.585 -14.300 1.00 71.11 C ATOM 1549 C LYS A 98 -5.538 20.946 -15.475 1.00 1.33 C ATOM 1550 O LYS A 98 -5.667 20.386 -16.562 1.00 71.05 O ATOM 1551 CB LYS A 98 -7.302 21.791 -13.916 1.00 1.20 C ATOM 1552 CG LYS A 98 -8.718 21.726 -14.464 1.00 32.00 C ATOM 1553 CD LYS A 98 -9.577 20.751 -13.675 1.00 61.55 C ATOM 1554 CE LYS A 98 -9.937 19.529 -14.505 1.00 43.33 C ATOM 1555 NZ LYS A 98 -11.261 18.967 -14.118 1.00 51.34 N ATOM 0 H LYS A 98 -5.450 20.876 -12.477 1.00 10.14 H new ATOM 0 HA LYS A 98 -7.090 19.763 -14.603 1.00 71.11 H new ATOM 0 HB2 LYS A 98 -7.345 21.865 -12.829 1.00 1.20 H new ATOM 0 HB3 LYS A 98 -6.822 22.700 -14.279 1.00 1.20 H new ATOM 0 HG2 LYS A 98 -9.168 22.718 -14.431 1.00 32.00 H new ATOM 0 HG3 LYS A 98 -8.691 21.423 -15.511 1.00 32.00 H new ATOM 0 HD2 LYS A 98 -9.044 20.438 -12.777 1.00 61.55 H new ATOM 0 HD3 LYS A 98 -10.488 21.251 -13.347 1.00 61.55 H new ATOM 0 HE2 LYS A 98 -9.951 19.798 -15.561 1.00 43.33 H new ATOM 0 HE3 LYS A 98 -9.168 18.766 -14.381 1.00 43.33 H new ATOM 0 HZ1 LYS A 98 -11.471 18.135 -14.706 1.00 51.34 H new ATOM 0 HZ2 LYS A 98 -11.240 18.686 -13.117 1.00 51.34 H new ATOM 0 HZ3 LYS A 98 -11.998 19.686 -14.260 1.00 51.34 H new ATOM 1569 N GLU A 99 -4.623 21.884 -15.247 1.00 0.50 N ATOM 1570 CA GLU A 99 -3.699 22.317 -16.287 1.00 32.40 C ATOM 1571 C GLU A 99 -2.812 21.162 -16.743 1.00 2.33 C ATOM 1572 O GLU A 99 -2.190 21.224 -17.803 1.00 53.21 O ATOM 1573 CB GLU A 99 -2.831 23.471 -15.781 1.00 42.14 C ATOM 1574 CG GLU A 99 -2.485 24.489 -16.855 1.00 25.23 C ATOM 1575 CD GLU A 99 -3.625 25.447 -17.139 1.00 23.02 C ATOM 1576 OE1 GLU A 99 -4.122 26.079 -16.182 1.00 74.35 O ATOM 1577 OE2 GLU A 99 -4.022 25.566 -18.317 1.00 4.04 O ATOM 0 H GLU A 99 -4.503 22.358 -14.352 1.00 0.50 H new ATOM 0 HA GLU A 99 -4.287 22.660 -17.139 1.00 32.40 H new ATOM 0 HB2 GLU A 99 -3.352 23.976 -14.968 1.00 42.14 H new ATOM 0 HB3 GLU A 99 -1.908 23.066 -15.366 1.00 42.14 H new ATOM 0 HG2 GLU A 99 -1.608 25.056 -16.544 1.00 25.23 H new ATOM 0 HG3 GLU A 99 -2.217 23.966 -17.773 1.00 25.23 H new ATOM 1584 N ALA A 100 -2.760 20.108 -15.934 1.00 22.41 N ATOM 1585 CA ALA A 100 -1.952 18.938 -16.254 1.00 33.40 C ATOM 1586 C ALA A 100 -2.674 18.025 -17.238 1.00 70.11 C ATOM 1587 O ALA A 100 -2.045 17.383 -18.082 1.00 20.45 O ATOM 1588 CB ALA A 100 -1.600 18.177 -14.984 1.00 63.13 C ATOM 0 H ALA A 100 -3.268 20.041 -15.052 1.00 22.41 H new ATOM 0 HA ALA A 100 -1.031 19.280 -16.726 1.00 33.40 H new ATOM 0 HB1 ALA A 100 -0.996 17.306 -15.238 1.00 63.13 H new ATOM 0 HB2 ALA A 100 -1.036 18.827 -14.315 1.00 63.13 H new ATOM 0 HB3 ALA A 100 -2.515 17.853 -14.489 1.00 63.13 H new ATOM 1594 N LEU A 101 -3.996 17.969 -17.126 1.00 23.21 N ATOM 1595 CA LEU A 101 -4.805 17.133 -18.006 1.00 62.11 C ATOM 1596 C LEU A 101 -4.908 17.748 -19.398 1.00 42.04 C ATOM 1597 O LEU A 101 -4.962 17.035 -20.401 1.00 2.24 O ATOM 1598 CB LEU A 101 -6.203 16.940 -17.416 1.00 70.15 C ATOM 1599 CG LEU A 101 -6.888 15.611 -17.735 1.00 65.32 C ATOM 1600 CD1 LEU A 101 -7.128 15.479 -19.232 1.00 55.42 C ATOM 1601 CD2 LEU A 101 -6.056 14.445 -17.222 1.00 2.05 C ATOM 0 H LEU A 101 -4.531 18.493 -16.434 1.00 23.21 H new ATOM 0 HA LEU A 101 -4.317 16.162 -18.093 1.00 62.11 H new ATOM 0 HB2 LEU A 101 -6.135 17.040 -16.333 1.00 70.15 H new ATOM 0 HB3 LEU A 101 -6.841 17.749 -17.772 1.00 70.15 H new ATOM 0 HG LEU A 101 -7.854 15.592 -17.230 1.00 65.32 H new ATOM 0 HD11 LEU A 101 -7.616 14.527 -19.440 1.00 55.42 H new ATOM 0 HD12 LEU A 101 -7.765 16.295 -19.572 1.00 55.42 H new ATOM 0 HD13 LEU A 101 -6.174 15.520 -19.758 1.00 55.42 H new ATOM 0 HD21 LEU A 101 -6.559 13.507 -17.458 1.00 2.05 H new ATOM 0 HD22 LEU A 101 -5.076 14.460 -17.698 1.00 2.05 H new ATOM 0 HD23 LEU A 101 -5.936 14.531 -16.142 1.00 2.05 H new ATOM 1613 N ASP A 102 -4.932 19.075 -19.452 1.00 45.02 N ATOM 1614 CA ASP A 102 -5.025 19.786 -20.722 1.00 64.51 C ATOM 1615 C ASP A 102 -3.741 19.625 -21.531 1.00 24.23 C ATOM 1616 O ASP A 102 -3.781 19.378 -22.736 1.00 43.41 O ATOM 1617 CB ASP A 102 -5.307 21.270 -20.480 1.00 63.03 C ATOM 1618 CG ASP A 102 -6.535 21.756 -21.225 1.00 41.42 C ATOM 1619 OD1 ASP A 102 -7.505 20.978 -21.340 1.00 44.41 O ATOM 1620 OD2 ASP A 102 -6.526 22.913 -21.693 1.00 53.04 O ATOM 0 H ASP A 102 -4.888 19.680 -18.632 1.00 45.02 H new ATOM 0 HA ASP A 102 -5.848 19.355 -21.292 1.00 64.51 H new ATOM 0 HB2 ASP A 102 -5.442 21.442 -19.412 1.00 63.03 H new ATOM 0 HB3 ASP A 102 -4.442 21.856 -20.790 1.00 63.03 H new ATOM 1625 N LYS A 103 -2.604 19.768 -20.860 1.00 12.33 N ATOM 1626 CA LYS A 103 -1.307 19.638 -21.515 1.00 23.24 C ATOM 1627 C LYS A 103 -1.148 18.255 -22.139 1.00 4.15 C ATOM 1628 O LYS A 103 -0.388 18.077 -23.090 1.00 13.34 O ATOM 1629 CB LYS A 103 -0.179 19.889 -20.512 1.00 35.23 C ATOM 1630 CG LYS A 103 1.151 20.227 -21.164 1.00 23.11 C ATOM 1631 CD LYS A 103 1.371 21.728 -21.235 1.00 65.44 C ATOM 1632 CE LYS A 103 2.220 22.110 -22.438 1.00 55.51 C ATOM 1633 NZ LYS A 103 2.826 23.461 -22.284 1.00 25.52 N ATOM 0 H LYS A 103 -2.554 19.974 -19.862 1.00 12.33 H new ATOM 0 HA LYS A 103 -1.253 20.383 -22.308 1.00 23.24 H new ATOM 0 HB2 LYS A 103 -0.468 20.706 -19.850 1.00 35.23 H new ATOM 0 HB3 LYS A 103 -0.054 19.003 -19.889 1.00 35.23 H new ATOM 0 HG2 LYS A 103 1.962 19.766 -20.600 1.00 23.11 H new ATOM 0 HG3 LYS A 103 1.182 19.806 -22.169 1.00 23.11 H new ATOM 0 HD2 LYS A 103 0.408 22.236 -21.292 1.00 65.44 H new ATOM 0 HD3 LYS A 103 1.858 22.069 -20.321 1.00 65.44 H new ATOM 0 HE2 LYS A 103 3.010 21.371 -22.574 1.00 55.51 H new ATOM 0 HE3 LYS A 103 1.605 22.088 -23.338 1.00 55.51 H new ATOM 0 HZ1 LYS A 103 3.397 23.683 -23.125 1.00 25.52 H new ATOM 0 HZ2 LYS A 103 2.072 24.170 -22.180 1.00 25.52 H new ATOM 0 HZ3 LYS A 103 3.433 23.475 -21.440 1.00 25.52 H new ATOM 1647 N ILE A 104 -1.873 17.281 -21.597 1.00 53.52 N ATOM 1648 CA ILE A 104 -1.814 15.915 -22.104 1.00 14.32 C ATOM 1649 C ILE A 104 -2.878 15.677 -23.169 1.00 72.42 C ATOM 1650 O ILE A 104 -2.759 14.765 -23.986 1.00 15.31 O ATOM 1651 CB ILE A 104 -1.998 14.887 -20.971 1.00 73.15 C ATOM 1652 CG1 ILE A 104 -0.908 15.063 -19.911 1.00 50.32 C ATOM 1653 CG2 ILE A 104 -1.975 13.473 -21.532 1.00 53.23 C ATOM 1654 CD1 ILE A 104 -1.114 14.201 -18.686 1.00 11.12 C ATOM 0 H ILE A 104 -2.507 17.412 -20.809 1.00 53.52 H new ATOM 0 HA ILE A 104 -0.826 15.784 -22.546 1.00 14.32 H new ATOM 0 HB ILE A 104 -2.967 15.055 -20.500 1.00 73.15 H new ATOM 0 HG12 ILE A 104 0.060 14.827 -20.353 1.00 50.32 H new ATOM 0 HG13 ILE A 104 -0.873 16.109 -19.608 1.00 50.32 H new ATOM 0 HG21 ILE A 104 -2.106 12.757 -20.720 1.00 53.23 H new ATOM 0 HG22 ILE A 104 -2.783 13.355 -22.254 1.00 53.23 H new ATOM 0 HG23 ILE A 104 -1.019 13.292 -22.024 1.00 53.23 H new ATOM 0 HD11 ILE A 104 -0.305 14.377 -17.977 1.00 11.12 H new ATOM 0 HD12 ILE A 104 -2.066 14.453 -18.220 1.00 11.12 H new ATOM 0 HD13 ILE A 104 -1.119 13.151 -18.977 1.00 11.12 H new