USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 662 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 71 THR OG1 : rot 180:sc= -0.0168 USER MOD Set 1.2: A 74 GLN : amide:sc=-0.00593 K(o=-0.023,f=-1.8!) USER MOD Single : A 14 LYS NZ :NH3+ -113:sc= 0.0946 (180deg=-0.161) USER MOD Single : A 15 ASN : amide:sc= -0.0354 X(o=-0.035,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.258 K(o=-0.26,f=-0.89) USER MOD Single : A 18 SER OG : rot 59:sc= 0.37 USER MOD Single : A 22 CYS SG : rot -170:sc= -1.05 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0287 USER MOD Single : A 28 ASN : amide:sc= -0.534 X(o=-0.53,f=-0.74) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0613 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00547 USER MOD Single : A 33 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-0.12) USER MOD Single : A 37 TYR OH : rot 180:sc= 0.135 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.83 K(o=-0.83,f=-1.7!) USER MOD Single : A 49 SER OG : rot 81:sc= 0.471 USER MOD Single : A 54 HIS : no HD1:sc= -2.13! K(o=-2.1!,f=-0.78) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.928 X(o=-0.93,f=-0.62) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -1.96 K(o=-2,f=-0.65) USER MOD Single : A 73 LYS NZ :NH3+ 161:sc= -0.176 (180deg=-0.838) USER MOD Single : A 77 CYS SG : rot 53:sc= -0.154 USER MOD Single : A 78 THR OG1 : rot 95:sc= 1.25 USER MOD Single : A 81 ASN : amide:sc= -0.0417 K(o=-0.042,f=-1.7!) USER MOD Single : A 82 THR OG1 : rot 130:sc= -0.106 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 87 HIS : no HD1:sc=-0.00856 X(o=-0.0086,f=-0.11) USER MOD Single : A 92 LYS NZ :NH3+ -162:sc= 1.21 (180deg=0.868) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -6.687 -9.242 -8.690 1.00 64.31 N ATOM 61 CA GLY A 5 -5.304 -9.577 -8.921 1.00 30.03 C ATOM 62 C GLY A 5 -4.742 -8.686 -9.999 1.00 1.31 C ATOM 63 O GLY A 5 -3.634 -8.908 -10.457 1.00 14.44 O ATOM 0 HA2 GLY A 5 -4.732 -9.457 -8.001 1.00 30.03 H new ATOM 0 HA3 GLY A 5 -5.217 -10.622 -9.217 1.00 30.03 H new ATOM 67 N ASP A 6 -5.490 -7.645 -10.442 1.00 44.01 N ATOM 68 CA ASP A 6 -4.959 -6.764 -11.490 1.00 13.31 C ATOM 69 C ASP A 6 -4.155 -5.702 -10.792 1.00 23.21 C ATOM 70 O ASP A 6 -4.480 -5.309 -9.673 1.00 21.54 O ATOM 71 CB ASP A 6 -6.044 -6.071 -12.361 1.00 44.43 C ATOM 72 CG ASP A 6 -5.429 -5.513 -13.644 1.00 71.53 C ATOM 73 OD1 ASP A 6 -4.266 -5.846 -13.968 1.00 40.41 O ATOM 74 OD2 ASP A 6 -6.123 -4.760 -14.349 1.00 1.21 O ATOM 0 H ASP A 6 -6.422 -7.408 -10.102 1.00 44.01 H new ATOM 0 HA ASP A 6 -4.375 -7.378 -12.176 1.00 13.31 H new ATOM 0 HB2 ASP A 6 -6.830 -6.785 -12.609 1.00 44.43 H new ATOM 0 HB3 ASP A 6 -6.512 -5.265 -11.795 1.00 44.43 H new ATOM 79 N ILE A 7 -3.064 -5.252 -11.426 1.00 13.44 N ATOM 80 CA ILE A 7 -2.173 -4.331 -10.864 1.00 71.53 C ATOM 81 C ILE A 7 -2.465 -2.981 -11.453 1.00 75.35 C ATOM 82 O ILE A 7 -2.716 -2.857 -12.660 1.00 10.34 O ATOM 83 CB ILE A 7 -0.790 -4.737 -11.242 1.00 3.31 C ATOM 84 CG1 ILE A 7 -0.632 -6.228 -10.841 1.00 1.03 C ATOM 85 CG2 ILE A 7 0.235 -3.758 -10.611 1.00 2.35 C ATOM 86 CD1 ILE A 7 0.750 -6.719 -10.931 1.00 40.51 C ATOM 0 H ILE A 7 -2.804 -5.550 -12.366 1.00 13.44 H new ATOM 0 HA ILE A 7 -2.273 -4.298 -9.779 1.00 71.53 H new ATOM 0 HB ILE A 7 -0.597 -4.670 -12.313 1.00 3.31 H new ATOM 0 HG12 ILE A 7 -0.990 -6.361 -9.820 1.00 1.03 H new ATOM 0 HG13 ILE A 7 -1.268 -6.837 -11.483 1.00 1.03 H new ATOM 0 HG21 ILE A 7 1.245 -4.059 -10.890 1.00 2.35 H new ATOM 0 HG22 ILE A 7 0.044 -2.748 -10.973 1.00 2.35 H new ATOM 0 HG23 ILE A 7 0.137 -3.779 -9.526 1.00 2.35 H new ATOM 0 HD11 ILE A 7 0.783 -7.768 -10.636 1.00 40.51 H new ATOM 0 HD12 ILE A 7 1.106 -6.619 -11.957 1.00 40.51 H new ATOM 0 HD13 ILE A 7 1.388 -6.135 -10.267 1.00 40.51 H new ATOM 98 N PHE A 8 -2.429 -1.940 -10.606 1.00 72.32 N ATOM 99 CA PHE A 8 -2.519 -0.585 -11.085 1.00 64.35 C ATOM 100 C PHE A 8 -1.641 0.250 -10.205 1.00 31.31 C ATOM 101 O PHE A 8 -1.250 -0.181 -9.115 1.00 15.24 O ATOM 102 CB PHE A 8 -3.972 0.042 -11.143 1.00 54.03 C ATOM 103 CG PHE A 8 -4.696 -0.068 -9.806 1.00 75.03 C ATOM 104 CD1 PHE A 8 -5.079 -1.334 -9.285 1.00 55.40 C ATOM 105 CD2 PHE A 8 -5.049 1.101 -9.070 1.00 25.34 C ATOM 106 CE1 PHE A 8 -5.765 -1.427 -8.067 1.00 64.55 C ATOM 107 CE2 PHE A 8 -5.772 0.994 -7.861 1.00 73.55 C ATOM 108 CZ PHE A 8 -6.121 -0.269 -7.358 1.00 2.22 C ATOM 0 H PHE A 8 -2.338 -2.028 -9.594 1.00 72.32 H new ATOM 0 HA PHE A 8 -2.202 -0.600 -12.128 1.00 64.35 H new ATOM 0 HB2 PHE A 8 -3.903 1.091 -11.433 1.00 54.03 H new ATOM 0 HB3 PHE A 8 -4.554 -0.464 -11.913 1.00 54.03 H new ATOM 0 HD1 PHE A 8 -4.839 -2.233 -9.833 1.00 55.40 H new ATOM 0 HD2 PHE A 8 -4.762 2.075 -9.439 1.00 25.34 H new ATOM 0 HE1 PHE A 8 -6.022 -2.398 -7.670 1.00 64.55 H new ATOM 0 HE2 PHE A 8 -6.057 1.886 -7.323 1.00 73.55 H new ATOM 0 HZ PHE A 8 -6.663 -0.350 -6.427 1.00 2.22 H new ATOM 118 N GLU A 9 -1.290 1.455 -10.687 1.00 14.31 N ATOM 119 CA GLU A 9 -0.525 2.383 -9.894 1.00 13.33 C ATOM 120 C GLU A 9 -1.478 3.398 -9.427 1.00 51.41 C ATOM 121 O GLU A 9 -2.446 3.729 -10.129 1.00 42.32 O ATOM 122 CB GLU A 9 0.545 3.186 -10.676 1.00 14.34 C ATOM 123 CG GLU A 9 1.642 2.352 -11.319 1.00 61.24 C ATOM 124 CD GLU A 9 2.704 3.298 -11.859 1.00 63.31 C ATOM 125 OE1 GLU A 9 2.488 4.539 -11.843 1.00 34.14 O ATOM 126 OE2 GLU A 9 3.774 2.810 -12.279 1.00 74.34 O ATOM 0 H GLU A 9 -1.531 1.791 -11.619 1.00 14.31 H new ATOM 0 HA GLU A 9 -0.017 1.796 -9.129 1.00 13.33 H new ATOM 0 HB2 GLU A 9 0.046 3.762 -11.455 1.00 14.34 H new ATOM 0 HB3 GLU A 9 1.007 3.902 -9.996 1.00 14.34 H new ATOM 0 HG2 GLU A 9 2.077 1.669 -10.590 1.00 61.24 H new ATOM 0 HG3 GLU A 9 1.233 1.741 -12.124 1.00 61.24 H new ATOM 133 N VAL A 10 -1.199 3.966 -8.264 1.00 10.41 N ATOM 134 CA VAL A 10 -1.899 5.113 -7.843 1.00 1.34 C ATOM 135 C VAL A 10 -0.861 6.049 -7.377 1.00 25.13 C ATOM 136 O VAL A 10 0.149 5.647 -6.766 1.00 12.31 O ATOM 137 CB VAL A 10 -2.905 4.877 -6.741 1.00 31.14 C ATOM 138 CG1 VAL A 10 -4.053 4.075 -7.348 1.00 72.14 C ATOM 139 CG2 VAL A 10 -2.229 4.150 -5.563 1.00 21.21 C ATOM 0 H VAL A 10 -0.488 3.632 -7.613 1.00 10.41 H new ATOM 0 HA VAL A 10 -2.496 5.487 -8.675 1.00 1.34 H new ATOM 0 HB VAL A 10 -3.297 5.811 -6.338 1.00 31.14 H new ATOM 0 HG11 VAL A 10 -4.806 3.881 -6.584 1.00 72.14 H new ATOM 0 HG12 VAL A 10 -4.502 4.642 -8.164 1.00 72.14 H new ATOM 0 HG13 VAL A 10 -3.673 3.128 -7.731 1.00 72.14 H new ATOM 0 HG21 VAL A 10 -2.959 3.983 -4.771 1.00 21.21 H new ATOM 0 HG22 VAL A 10 -1.837 3.192 -5.904 1.00 21.21 H new ATOM 0 HG23 VAL A 10 -1.412 4.761 -5.179 1.00 21.21 H new ATOM 149 N GLU A 11 -1.055 7.313 -7.694 1.00 23.52 N ATOM 150 CA GLU A 11 -0.224 8.330 -7.189 1.00 65.23 C ATOM 151 C GLU A 11 -1.040 9.002 -6.160 1.00 55.02 C ATOM 152 O GLU A 11 -2.129 9.538 -6.443 1.00 33.43 O ATOM 153 CB GLU A 11 0.227 9.335 -8.250 1.00 52.33 C ATOM 154 CG GLU A 11 -0.911 9.888 -9.119 1.00 44.24 C ATOM 155 CD GLU A 11 -0.285 10.562 -10.299 1.00 21.13 C ATOM 156 OE1 GLU A 11 0.290 11.656 -10.121 1.00 53.41 O ATOM 157 OE2 GLU A 11 -0.331 9.984 -11.408 1.00 32.01 O ATOM 0 H GLU A 11 -1.799 7.640 -8.310 1.00 23.52 H new ATOM 0 HA GLU A 11 0.702 7.905 -6.802 1.00 65.23 H new ATOM 0 HB2 GLU A 11 0.729 10.167 -7.756 1.00 52.33 H new ATOM 0 HB3 GLU A 11 0.963 8.858 -8.897 1.00 52.33 H new ATOM 0 HG2 GLU A 11 -1.573 9.084 -9.442 1.00 44.24 H new ATOM 0 HG3 GLU A 11 -1.519 10.593 -8.552 1.00 44.24 H new ATOM 164 N LEU A 12 -0.590 8.926 -4.933 1.00 52.23 N ATOM 165 CA LEU A 12 -1.369 9.426 -3.863 1.00 73.40 C ATOM 166 C LEU A 12 -0.473 10.124 -2.955 1.00 0.42 C ATOM 167 O LEU A 12 0.655 9.709 -2.715 1.00 32.40 O ATOM 168 CB LEU A 12 -2.201 8.341 -3.122 1.00 71.23 C ATOM 169 CG LEU A 12 -3.592 8.224 -3.748 1.00 51.21 C ATOM 170 CD1 LEU A 12 -4.302 6.942 -3.378 1.00 23.04 C ATOM 171 CD2 LEU A 12 -4.450 9.466 -3.463 1.00 24.00 C ATOM 0 H LEU A 12 0.308 8.523 -4.666 1.00 52.23 H new ATOM 0 HA LEU A 12 -2.119 10.104 -4.272 1.00 73.40 H new ATOM 0 HB2 LEU A 12 -1.689 7.380 -3.174 1.00 71.23 H new ATOM 0 HB3 LEU A 12 -2.290 8.598 -2.066 1.00 71.23 H new ATOM 0 HG LEU A 12 -3.439 8.177 -4.826 1.00 51.21 H new ATOM 0 HD11 LEU A 12 -5.283 6.919 -3.853 1.00 23.04 H new ATOM 0 HD12 LEU A 12 -3.714 6.089 -3.718 1.00 23.04 H new ATOM 0 HD13 LEU A 12 -4.422 6.892 -2.296 1.00 23.04 H new ATOM 0 HD21 LEU A 12 -5.430 9.345 -3.924 1.00 24.00 H new ATOM 0 HD22 LEU A 12 -4.568 9.587 -2.386 1.00 24.00 H new ATOM 0 HD23 LEU A 12 -3.961 10.348 -3.876 1.00 24.00 H new ATOM 183 N ALA A 13 -0.960 11.265 -2.489 1.00 42.32 N ATOM 184 CA ALA A 13 -0.212 12.108 -1.629 1.00 53.54 C ATOM 185 C ALA A 13 -0.508 11.648 -0.262 1.00 44.14 C ATOM 186 O ALA A 13 -1.520 10.997 -0.030 1.00 74.22 O ATOM 187 CB ALA A 13 -0.619 13.598 -1.718 1.00 74.22 C ATOM 0 H ALA A 13 -1.892 11.615 -2.710 1.00 42.32 H new ATOM 0 HA ALA A 13 0.840 12.049 -1.909 1.00 53.54 H new ATOM 0 HB1 ALA A 13 -0.006 14.184 -1.033 1.00 74.22 H new ATOM 0 HB2 ALA A 13 -0.469 13.956 -2.737 1.00 74.22 H new ATOM 0 HB3 ALA A 13 -1.669 13.705 -1.447 1.00 74.22 H new ATOM 193 N LYS A 14 0.369 11.987 0.680 1.00 74.21 N ATOM 194 CA LYS A 14 0.092 11.741 2.100 1.00 22.22 C ATOM 195 C LYS A 14 -1.136 12.543 2.452 1.00 63.11 C ATOM 196 O LYS A 14 -2.100 12.025 3.008 1.00 15.20 O ATOM 197 CB LYS A 14 1.219 12.239 3.051 1.00 74.21 C ATOM 198 CG LYS A 14 2.471 11.349 3.143 1.00 25.23 C ATOM 199 CD LYS A 14 3.250 11.208 1.841 1.00 21.40 C ATOM 200 CE LYS A 14 4.641 10.588 2.023 1.00 23.33 C ATOM 201 NZ LYS A 14 5.543 11.512 2.748 1.00 53.11 N ATOM 0 H LYS A 14 1.269 12.428 0.493 1.00 74.21 H new ATOM 0 HA LYS A 14 -0.012 10.664 2.230 1.00 22.22 H new ATOM 0 HB2 LYS A 14 1.528 13.233 2.726 1.00 74.21 H new ATOM 0 HB3 LYS A 14 0.801 12.347 4.052 1.00 74.21 H new ATOM 0 HG2 LYS A 14 3.135 11.757 3.905 1.00 25.23 H new ATOM 0 HG3 LYS A 14 2.171 10.357 3.480 1.00 25.23 H new ATOM 0 HD2 LYS A 14 2.675 10.594 1.148 1.00 21.40 H new ATOM 0 HD3 LYS A 14 3.357 12.191 1.383 1.00 21.40 H new ATOM 0 HE2 LYS A 14 4.556 9.651 2.573 1.00 23.33 H new ATOM 0 HE3 LYS A 14 5.067 10.348 1.049 1.00 23.33 H new ATOM 0 HZ1 LYS A 14 6.300 11.830 2.110 1.00 53.11 H new ATOM 0 HZ2 LYS A 14 5.002 12.335 3.081 1.00 53.11 H new ATOM 0 HZ3 LYS A 14 5.962 11.020 3.563 1.00 53.11 H new ATOM 215 N ASN A 15 -1.080 13.829 2.089 1.00 61.15 N ATOM 216 CA ASN A 15 -2.074 14.831 2.437 1.00 53.44 C ATOM 217 C ASN A 15 -1.889 15.184 3.894 1.00 5.34 C ATOM 218 O ASN A 15 -1.956 14.327 4.769 1.00 62.31 O ATOM 219 CB ASN A 15 -3.559 14.471 2.140 1.00 44.23 C ATOM 220 CG ASN A 15 -4.369 15.758 2.070 1.00 72.41 C ATOM 221 OD1 ASN A 15 -4.599 16.290 0.980 1.00 11.40 O ATOM 222 ND2 ASN A 15 -4.804 16.283 3.222 1.00 41.44 N ATOM 0 H ASN A 15 -0.316 14.205 1.528 1.00 61.15 H new ATOM 0 HA ASN A 15 -1.892 15.679 1.777 1.00 53.44 H new ATOM 0 HB2 ASN A 15 -3.635 13.925 1.199 1.00 44.23 H new ATOM 0 HB3 ASN A 15 -3.953 13.819 2.919 1.00 44.23 H new ATOM 0 HD21 ASN A 15 -5.343 17.149 3.216 1.00 41.44 H new ATOM 0 HD22 ASN A 15 -4.596 15.817 4.105 1.00 41.44 H new ATOM 229 N ASP A 16 -1.587 16.477 4.166 1.00 55.43 N ATOM 230 CA ASP A 16 -1.229 16.970 5.511 1.00 54.52 C ATOM 231 C ASP A 16 -0.046 16.209 6.022 1.00 20.43 C ATOM 232 O ASP A 16 0.080 15.976 7.230 1.00 51.04 O ATOM 233 CB ASP A 16 -2.360 16.933 6.578 1.00 61.50 C ATOM 234 CG ASP A 16 -3.441 17.886 6.162 1.00 1.54 C ATOM 235 OD1 ASP A 16 -3.123 19.075 5.882 1.00 62.31 O ATOM 236 OD2 ASP A 16 -4.617 17.470 6.105 1.00 75.50 O ATOM 0 H ASP A 16 -1.586 17.207 3.453 1.00 55.43 H new ATOM 0 HA ASP A 16 -1.010 18.028 5.369 1.00 54.52 H new ATOM 0 HB2 ASP A 16 -2.760 15.923 6.670 1.00 61.50 H new ATOM 0 HB3 ASP A 16 -1.967 17.210 7.556 1.00 61.50 H new ATOM 241 N ASN A 17 0.864 15.841 5.082 1.00 34.13 N ATOM 242 CA ASN A 17 2.115 15.087 5.336 1.00 51.42 C ATOM 243 C ASN A 17 1.893 13.744 6.087 1.00 30.22 C ATOM 244 O ASN A 17 2.835 12.983 6.282 1.00 21.43 O ATOM 245 CB ASN A 17 3.187 15.937 6.080 1.00 0.23 C ATOM 246 CG ASN A 17 4.563 15.314 5.848 1.00 14.32 C ATOM 247 OD1 ASN A 17 4.903 14.949 4.720 1.00 12.43 O ATOM 248 ND2 ASN A 17 5.372 15.194 6.907 1.00 54.12 N ATOM 0 H ASN A 17 0.741 16.070 4.096 1.00 34.13 H new ATOM 0 HA ASN A 17 2.491 14.847 4.341 1.00 51.42 H new ATOM 0 HB2 ASN A 17 3.172 16.964 5.716 1.00 0.23 H new ATOM 0 HB3 ASN A 17 2.965 15.974 7.147 1.00 0.23 H new ATOM 0 HD21 ASN A 17 6.302 14.790 6.795 1.00 54.12 H new ATOM 0 HD22 ASN A 17 5.059 15.506 7.826 1.00 54.12 H new ATOM 255 N SER A 18 0.657 13.456 6.513 1.00 21.02 N ATOM 256 CA SER A 18 0.389 12.333 7.356 1.00 3.24 C ATOM 257 C SER A 18 -0.041 11.183 6.507 1.00 3.53 C ATOM 258 O SER A 18 -0.846 11.330 5.603 1.00 73.54 O ATOM 259 CB SER A 18 -0.746 12.623 8.350 1.00 14.24 C ATOM 260 OG SER A 18 -0.382 13.717 9.203 1.00 44.04 O ATOM 0 H SER A 18 -0.168 14.005 6.272 1.00 21.02 H new ATOM 0 HA SER A 18 1.300 12.112 7.911 1.00 3.24 H new ATOM 0 HB2 SER A 18 -1.662 12.861 7.810 1.00 14.24 H new ATOM 0 HB3 SER A 18 -0.951 11.736 8.949 1.00 14.24 H new ATOM 0 HG SER A 18 -0.206 14.512 8.658 1.00 44.04 H new ATOM 266 N LEU A 19 0.481 10.006 6.822 1.00 42.04 N ATOM 267 CA LEU A 19 0.019 8.789 6.235 1.00 41.32 C ATOM 268 C LEU A 19 -0.516 8.025 7.416 1.00 62.33 C ATOM 269 O LEU A 19 -0.975 8.633 8.382 1.00 12.33 O ATOM 270 CB LEU A 19 1.131 7.953 5.500 1.00 32.02 C ATOM 271 CG LEU A 19 2.492 7.827 6.260 1.00 31.21 C ATOM 272 CD1 LEU A 19 3.247 6.553 5.877 1.00 63.42 C ATOM 273 CD2 LEU A 19 3.395 9.078 6.095 1.00 33.11 C ATOM 0 H LEU A 19 1.238 9.884 7.495 1.00 42.04 H new ATOM 0 HA LEU A 19 -0.709 8.990 5.449 1.00 41.32 H new ATOM 0 HB2 LEU A 19 0.744 6.951 5.315 1.00 32.02 H new ATOM 0 HB3 LEU A 19 1.319 8.407 4.527 1.00 32.02 H new ATOM 0 HG LEU A 19 2.235 7.759 7.317 1.00 31.21 H new ATOM 0 HD11 LEU A 19 4.186 6.507 6.429 1.00 63.42 H new ATOM 0 HD12 LEU A 19 2.639 5.682 6.122 1.00 63.42 H new ATOM 0 HD13 LEU A 19 3.455 6.561 4.807 1.00 63.42 H new ATOM 0 HD21 LEU A 19 4.325 8.931 6.645 1.00 33.11 H new ATOM 0 HD22 LEU A 19 3.618 9.229 5.039 1.00 33.11 H new ATOM 0 HD23 LEU A 19 2.878 9.954 6.485 1.00 33.11 H new ATOM 285 N GLY A 20 -0.467 6.687 7.387 1.00 44.23 N ATOM 286 CA GLY A 20 -0.925 5.914 8.519 1.00 73.43 C ATOM 287 C GLY A 20 -2.175 5.242 8.093 1.00 23.53 C ATOM 288 O GLY A 20 -3.273 5.652 8.462 1.00 63.53 O ATOM 0 H GLY A 20 -0.119 6.137 6.601 1.00 44.23 H new ATOM 0 HA2 GLY A 20 -0.174 5.183 8.818 1.00 73.43 H new ATOM 0 HA3 GLY A 20 -1.105 6.557 9.380 1.00 73.43 H new ATOM 292 N ILE A 21 -2.027 4.180 7.289 1.00 31.44 N ATOM 293 CA ILE A 21 -3.150 3.382 6.858 1.00 74.31 C ATOM 294 C ILE A 21 -3.053 2.166 7.756 1.00 72.52 C ATOM 295 O ILE A 21 -2.108 2.085 8.542 1.00 12.22 O ATOM 296 CB ILE A 21 -3.062 2.969 5.369 1.00 43.30 C ATOM 297 CG1 ILE A 21 -2.399 4.092 4.510 1.00 13.44 C ATOM 298 CG2 ILE A 21 -4.480 2.610 4.850 1.00 23.54 C ATOM 299 CD1 ILE A 21 -3.213 5.398 4.442 1.00 21.11 C ATOM 0 H ILE A 21 -1.127 3.863 6.929 1.00 31.44 H new ATOM 0 HA ILE A 21 -4.093 3.924 6.932 1.00 74.31 H new ATOM 0 HB ILE A 21 -2.425 2.089 5.279 1.00 43.30 H new ATOM 0 HG12 ILE A 21 -1.413 4.312 4.919 1.00 13.44 H new ATOM 0 HG13 ILE A 21 -2.248 3.718 3.497 1.00 13.44 H new ATOM 0 HG21 ILE A 21 -4.421 2.319 3.801 1.00 23.54 H new ATOM 0 HG22 ILE A 21 -4.883 1.783 5.434 1.00 23.54 H new ATOM 0 HG23 ILE A 21 -5.134 3.476 4.950 1.00 23.54 H new ATOM 0 HD11 ILE A 21 -2.683 6.125 3.827 1.00 21.11 H new ATOM 0 HD12 ILE A 21 -4.190 5.195 4.004 1.00 21.11 H new ATOM 0 HD13 ILE A 21 -3.342 5.799 5.447 1.00 21.11 H new ATOM 311 N CYS A 22 -4.000 1.204 7.685 1.00 3.34 N ATOM 312 CA CYS A 22 -3.815 0.029 8.570 1.00 31.35 C ATOM 313 C CYS A 22 -3.382 -1.062 7.633 1.00 2.05 C ATOM 314 O CYS A 22 -3.584 -0.962 6.432 1.00 13.13 O ATOM 315 CB CYS A 22 -5.163 -0.438 9.206 1.00 32.44 C ATOM 316 SG CYS A 22 -6.207 0.950 9.813 1.00 55.24 S ATOM 0 H CYS A 22 -4.826 1.205 7.086 1.00 3.34 H new ATOM 0 HA CYS A 22 -3.121 0.260 9.378 1.00 31.35 H new ATOM 0 HB2 CYS A 22 -5.725 -1.009 8.468 1.00 32.44 H new ATOM 0 HB3 CYS A 22 -4.950 -1.112 10.036 1.00 32.44 H new ATOM 0 HG CYS A 22 -7.198 0.476 10.507 1.00 55.24 H new ATOM 321 N VAL A 23 -2.615 -2.053 8.142 1.00 25.41 N ATOM 322 CA VAL A 23 -1.980 -2.995 7.253 1.00 63.24 C ATOM 323 C VAL A 23 -1.823 -4.291 7.988 1.00 64.44 C ATOM 324 O VAL A 23 -1.950 -4.348 9.213 1.00 52.42 O ATOM 325 CB VAL A 23 -0.595 -2.559 6.752 1.00 4.50 C ATOM 326 CG1 VAL A 23 -0.780 -1.535 5.604 1.00 21.12 C ATOM 327 CG2 VAL A 23 0.242 -2.012 7.942 1.00 14.05 C ATOM 0 H VAL A 23 -2.437 -2.202 9.135 1.00 25.41 H new ATOM 0 HA VAL A 23 -2.618 -3.076 6.373 1.00 63.24 H new ATOM 0 HB VAL A 23 -0.037 -3.402 6.346 1.00 4.50 H new ATOM 0 HG11 VAL A 23 0.197 -1.217 5.239 1.00 21.12 H new ATOM 0 HG12 VAL A 23 -1.338 -1.998 4.790 1.00 21.12 H new ATOM 0 HG13 VAL A 23 -1.329 -0.669 5.974 1.00 21.12 H new ATOM 0 HG21 VAL A 23 1.224 -1.703 7.584 1.00 14.05 H new ATOM 0 HG22 VAL A 23 -0.269 -1.156 8.383 1.00 14.05 H new ATOM 0 HG23 VAL A 23 0.358 -2.792 8.694 1.00 14.05 H new ATOM 337 N THR A 24 -1.542 -5.358 7.223 1.00 42.02 N ATOM 338 CA THR A 24 -1.313 -6.658 7.775 1.00 70.33 C ATOM 339 C THR A 24 -0.561 -7.413 6.686 1.00 53.32 C ATOM 340 O THR A 24 -0.482 -6.945 5.546 1.00 71.34 O ATOM 341 CB THR A 24 -2.617 -7.394 8.186 1.00 45.45 C ATOM 342 OG1 THR A 24 -2.368 -8.728 8.638 1.00 74.15 O ATOM 343 CG2 THR A 24 -3.618 -7.409 7.007 1.00 40.13 C ATOM 0 H THR A 24 -1.472 -5.320 6.206 1.00 42.02 H new ATOM 0 HA THR A 24 -0.749 -6.590 8.705 1.00 70.33 H new ATOM 0 HB THR A 24 -3.048 -6.843 9.022 1.00 45.45 H new ATOM 0 HG1 THR A 24 -3.215 -9.152 8.888 1.00 74.15 H new ATOM 0 HG21 THR A 24 -4.528 -7.928 7.309 1.00 40.13 H new ATOM 0 HG22 THR A 24 -3.861 -6.385 6.723 1.00 40.13 H new ATOM 0 HG23 THR A 24 -3.171 -7.924 6.157 1.00 40.13 H new ATOM 351 N GLY A 25 0.038 -8.568 7.038 1.00 23.22 N ATOM 352 CA GLY A 25 0.768 -9.385 6.085 1.00 73.50 C ATOM 353 C GLY A 25 2.140 -8.808 5.965 1.00 14.12 C ATOM 354 O GLY A 25 2.715 -8.350 6.942 1.00 35.25 O ATOM 0 H GLY A 25 0.022 -8.946 7.985 1.00 23.22 H new ATOM 0 HA2 GLY A 25 0.815 -10.420 6.423 1.00 73.50 H new ATOM 0 HA3 GLY A 25 0.266 -9.388 5.117 1.00 73.50 H new ATOM 358 N GLY A 26 2.692 -8.791 4.748 1.00 14.21 N ATOM 359 CA GLY A 26 3.971 -8.174 4.522 1.00 42.33 C ATOM 360 C GLY A 26 4.971 -9.235 4.324 1.00 53.31 C ATOM 361 O GLY A 26 5.306 -9.582 3.186 1.00 10.02 O ATOM 0 H GLY A 26 2.263 -9.200 3.917 1.00 14.21 H new ATOM 0 HA2 GLY A 26 3.929 -7.524 3.648 1.00 42.33 H new ATOM 0 HA3 GLY A 26 4.245 -7.548 5.371 1.00 42.33 H new ATOM 365 N VAL A 27 5.506 -9.768 5.455 1.00 53.34 N ATOM 366 CA VAL A 27 6.699 -10.617 5.435 1.00 53.31 C ATOM 367 C VAL A 27 6.441 -11.954 4.792 1.00 65.31 C ATOM 368 O VAL A 27 7.304 -12.822 4.834 1.00 31.43 O ATOM 369 CB VAL A 27 7.294 -10.882 6.821 1.00 11.52 C ATOM 370 CG1 VAL A 27 8.837 -10.929 6.677 1.00 51.10 C ATOM 371 CG2 VAL A 27 6.779 -9.834 7.825 1.00 21.12 C ATOM 0 H VAL A 27 5.120 -9.617 6.387 1.00 53.34 H new ATOM 0 HA VAL A 27 7.414 -10.041 4.847 1.00 53.31 H new ATOM 0 HB VAL A 27 6.976 -11.843 7.225 1.00 11.52 H new ATOM 0 HG11 VAL A 27 9.288 -11.117 7.651 1.00 51.10 H new ATOM 0 HG12 VAL A 27 9.114 -11.728 5.989 1.00 51.10 H new ATOM 0 HG13 VAL A 27 9.195 -9.975 6.289 1.00 51.10 H new ATOM 0 HG21 VAL A 27 7.207 -10.030 8.808 1.00 21.12 H new ATOM 0 HG22 VAL A 27 7.072 -8.838 7.494 1.00 21.12 H new ATOM 0 HG23 VAL A 27 5.692 -9.891 7.885 1.00 21.12 H new ATOM 381 N ASN A 28 5.265 -12.151 4.184 1.00 1.42 N ATOM 382 CA ASN A 28 4.936 -13.436 3.580 1.00 3.23 C ATOM 383 C ASN A 28 4.776 -14.397 4.688 1.00 65.00 C ATOM 384 O ASN A 28 5.619 -15.270 4.904 1.00 72.14 O ATOM 385 CB ASN A 28 5.919 -14.025 2.507 1.00 35.11 C ATOM 386 CG ASN A 28 5.657 -13.372 1.160 1.00 4.24 C ATOM 387 OD1 ASN A 28 5.383 -14.059 0.176 1.00 71.00 O ATOM 388 ND2 ASN A 28 5.726 -12.034 1.092 1.00 32.34 N ATOM 0 H ASN A 28 4.536 -11.442 4.100 1.00 1.42 H new ATOM 0 HA ASN A 28 4.033 -13.260 2.995 1.00 3.23 H new ATOM 0 HB2 ASN A 28 6.951 -13.852 2.811 1.00 35.11 H new ATOM 0 HB3 ASN A 28 5.786 -15.104 2.431 1.00 35.11 H new ATOM 0 HD21 ASN A 28 5.549 -11.559 0.207 1.00 32.34 H new ATOM 0 HD22 ASN A 28 5.955 -11.492 1.925 1.00 32.34 H new ATOM 395 N THR A 29 3.735 -14.213 5.477 1.00 2.32 N ATOM 396 CA THR A 29 3.503 -14.919 6.668 1.00 63.32 C ATOM 397 C THR A 29 2.369 -15.830 6.275 1.00 61.13 C ATOM 398 O THR A 29 2.164 -16.043 5.090 1.00 52.53 O ATOM 399 CB THR A 29 3.060 -13.984 7.780 1.00 54.51 C ATOM 400 OG1 THR A 29 2.084 -13.053 7.270 1.00 63.24 O ATOM 401 CG2 THR A 29 4.305 -13.198 8.250 1.00 50.23 C ATOM 0 H THR A 29 3.008 -13.528 5.272 1.00 2.32 H new ATOM 0 HA THR A 29 4.385 -15.435 7.047 1.00 63.32 H new ATOM 0 HB THR A 29 2.619 -14.549 8.601 1.00 54.51 H new ATOM 0 HG1 THR A 29 1.798 -12.452 7.989 1.00 63.24 H new ATOM 0 HG21 THR A 29 4.023 -12.515 9.051 1.00 50.23 H new ATOM 0 HG22 THR A 29 5.058 -13.895 8.617 1.00 50.23 H new ATOM 0 HG23 THR A 29 4.713 -12.629 7.414 1.00 50.23 H new ATOM 409 N SER A 30 1.671 -16.439 7.254 1.00 50.51 N ATOM 410 CA SER A 30 0.488 -17.288 7.022 1.00 34.14 C ATOM 411 C SER A 30 -0.518 -16.672 6.004 1.00 4.11 C ATOM 412 O SER A 30 -1.344 -17.402 5.442 1.00 73.15 O ATOM 413 CB SER A 30 -0.281 -17.532 8.332 1.00 52.11 C ATOM 414 OG SER A 30 0.624 -17.980 9.352 1.00 13.34 O ATOM 0 H SER A 30 1.917 -16.353 8.240 1.00 50.51 H new ATOM 0 HA SER A 30 0.881 -18.219 6.615 1.00 34.14 H new ATOM 0 HB2 SER A 30 -0.776 -16.614 8.650 1.00 52.11 H new ATOM 0 HB3 SER A 30 -1.061 -18.276 8.173 1.00 52.11 H new ATOM 0 HG SER A 30 0.129 -18.132 10.184 1.00 13.34 H new ATOM 420 N VAL A 31 -0.457 -15.322 5.722 1.00 24.25 N ATOM 421 CA VAL A 31 -1.278 -14.735 4.663 1.00 50.14 C ATOM 422 C VAL A 31 -0.829 -15.389 3.374 1.00 43.20 C ATOM 423 O VAL A 31 0.298 -15.856 3.272 1.00 70.21 O ATOM 424 CB VAL A 31 -1.142 -13.216 4.528 1.00 5.45 C ATOM 425 CG1 VAL A 31 -1.686 -12.570 5.815 1.00 74.34 C ATOM 426 CG2 VAL A 31 0.340 -12.840 4.247 1.00 4.11 C ATOM 0 H VAL A 31 0.143 -14.659 6.213 1.00 24.25 H new ATOM 0 HA VAL A 31 -2.327 -14.911 4.902 1.00 50.14 H new ATOM 0 HB VAL A 31 -1.722 -12.841 3.685 1.00 5.45 H new ATOM 0 HG11 VAL A 31 -1.600 -11.486 5.743 1.00 74.34 H new ATOM 0 HG12 VAL A 31 -2.733 -12.843 5.944 1.00 74.34 H new ATOM 0 HG13 VAL A 31 -1.111 -12.923 6.671 1.00 74.34 H new ATOM 0 HG21 VAL A 31 0.429 -11.758 4.152 1.00 4.11 H new ATOM 0 HG22 VAL A 31 0.965 -13.185 5.071 1.00 4.11 H new ATOM 0 HG23 VAL A 31 0.666 -13.313 3.321 1.00 4.11 H new ATOM 436 N ARG A 32 -1.698 -15.523 2.392 1.00 54.13 N ATOM 437 CA ARG A 32 -1.346 -16.338 1.265 1.00 3.33 C ATOM 438 C ARG A 32 -0.433 -15.579 0.343 1.00 2.24 C ATOM 439 O ARG A 32 0.746 -15.903 0.228 1.00 44.01 O ATOM 440 CB ARG A 32 -2.577 -16.803 0.459 1.00 51.31 C ATOM 441 CG ARG A 32 -2.235 -17.731 -0.706 1.00 4.51 C ATOM 442 CD ARG A 32 -3.470 -18.217 -1.450 1.00 32.13 C ATOM 443 NE ARG A 32 -3.009 -18.965 -2.655 1.00 22.34 N ATOM 444 CZ ARG A 32 -3.834 -19.161 -3.732 1.00 32.40 C ATOM 445 NH1 ARG A 32 -5.148 -18.751 -3.688 1.00 25.24 N ATOM 446 NH2 ARG A 32 -3.349 -19.761 -4.849 1.00 61.51 N ATOM 0 H ARG A 32 -2.621 -15.091 2.356 1.00 54.13 H new ATOM 0 HA ARG A 32 -0.848 -17.221 1.666 1.00 3.33 H new ATOM 0 HB2 ARG A 32 -3.267 -17.316 1.130 1.00 51.31 H new ATOM 0 HB3 ARG A 32 -3.099 -15.928 0.073 1.00 51.31 H new ATOM 0 HG2 ARG A 32 -1.579 -17.208 -1.402 1.00 4.51 H new ATOM 0 HG3 ARG A 32 -1.680 -18.591 -0.330 1.00 4.51 H new ATOM 0 HD2 ARG A 32 -4.074 -18.859 -0.809 1.00 32.13 H new ATOM 0 HD3 ARG A 32 -4.098 -17.375 -1.740 1.00 32.13 H new ATOM 0 HE ARG A 32 -2.060 -19.338 -2.678 1.00 22.34 H new ATOM 0 HH11 ARG A 32 -5.513 -18.298 -2.850 1.00 25.24 H new ATOM 0 HH12 ARG A 32 -5.756 -18.900 -4.493 1.00 25.24 H new ATOM 0 HH21 ARG A 32 -2.375 -20.063 -4.884 1.00 61.51 H new ATOM 0 HH22 ARG A 32 -3.958 -19.910 -5.654 1.00 61.51 H new ATOM 460 N HIS A 33 -0.980 -14.575 -0.385 1.00 1.13 N ATOM 461 CA HIS A 33 -0.303 -14.079 -1.584 1.00 42.44 C ATOM 462 C HIS A 33 0.957 -13.327 -1.221 1.00 4.51 C ATOM 463 O HIS A 33 1.880 -13.263 -2.018 1.00 54.21 O ATOM 464 CB HIS A 33 -1.193 -13.175 -2.465 1.00 45.02 C ATOM 465 CG HIS A 33 -0.694 -13.035 -3.878 1.00 43.02 C ATOM 466 ND1 HIS A 33 -1.401 -12.368 -4.830 1.00 61.12 N ATOM 467 CD2 HIS A 33 0.409 -13.531 -4.471 1.00 51.44 C ATOM 468 CE1 HIS A 33 -0.743 -12.453 -5.979 1.00 51.14 C ATOM 469 NE2 HIS A 33 0.364 -13.163 -5.779 1.00 50.32 N ATOM 0 H HIS A 33 -1.861 -14.112 -0.164 1.00 1.13 H new ATOM 0 HA HIS A 33 -0.058 -14.967 -2.167 1.00 42.44 H new ATOM 0 HB2 HIS A 33 -2.204 -13.582 -2.484 1.00 45.02 H new ATOM 0 HB3 HIS A 33 -1.255 -12.186 -2.010 1.00 45.02 H new ATOM 0 HD2 HIS A 33 1.185 -14.113 -3.996 1.00 51.44 H new ATOM 0 HE1 HIS A 33 -1.054 -12.019 -6.918 1.00 51.14 H new ATOM 0 HE2 HIS A 33 1.061 -13.393 -6.487 1.00 50.32 H new ATOM 478 N GLY A 34 1.074 -12.826 0.025 1.00 34.21 N ATOM 479 CA GLY A 34 2.377 -12.414 0.511 1.00 22.41 C ATOM 480 C GLY A 34 2.643 -11.005 0.130 1.00 63.11 C ATOM 481 O GLY A 34 3.615 -10.706 -0.545 1.00 74.15 O ATOM 0 H GLY A 34 0.303 -12.705 0.682 1.00 34.21 H new ATOM 0 HA2 GLY A 34 2.419 -12.520 1.595 1.00 22.41 H new ATOM 0 HA3 GLY A 34 3.149 -13.062 0.097 1.00 22.41 H new ATOM 485 N GLY A 35 1.805 -10.088 0.578 1.00 33.22 N ATOM 486 CA GLY A 35 2.057 -8.697 0.351 1.00 54.13 C ATOM 487 C GLY A 35 1.601 -8.033 1.576 1.00 1.43 C ATOM 488 O GLY A 35 1.101 -8.696 2.485 1.00 70.32 O ATOM 0 H GLY A 35 0.951 -10.291 1.098 1.00 33.22 H new ATOM 0 HA2 GLY A 35 3.116 -8.510 0.170 1.00 54.13 H new ATOM 0 HA3 GLY A 35 1.515 -8.333 -0.522 1.00 54.13 H new ATOM 492 N ILE A 36 1.742 -6.701 1.622 1.00 11.42 N ATOM 493 CA ILE A 36 1.151 -5.924 2.653 1.00 15.30 C ATOM 494 C ILE A 36 -0.227 -5.750 2.197 1.00 53.33 C ATOM 495 O ILE A 36 -0.448 -5.371 1.063 1.00 61.34 O ATOM 496 CB ILE A 36 1.805 -4.554 2.790 1.00 41.32 C ATOM 497 CG1 ILE A 36 3.086 -4.717 3.549 1.00 65.31 C ATOM 498 CG2 ILE A 36 0.849 -3.541 3.464 1.00 21.55 C ATOM 499 CD1 ILE A 36 2.846 -5.047 5.000 1.00 31.24 C ATOM 0 H ILE A 36 2.271 -6.160 0.937 1.00 11.42 H new ATOM 0 HA ILE A 36 1.251 -6.407 3.625 1.00 15.30 H new ATOM 0 HB ILE A 36 2.027 -4.146 1.804 1.00 41.32 H new ATOM 0 HG12 ILE A 36 3.680 -5.508 3.091 1.00 65.31 H new ATOM 0 HG13 ILE A 36 3.669 -3.799 3.478 1.00 65.31 H new ATOM 0 HG21 ILE A 36 1.344 -2.574 3.548 1.00 21.55 H new ATOM 0 HG22 ILE A 36 -0.053 -3.436 2.862 1.00 21.55 H new ATOM 0 HG23 ILE A 36 0.582 -3.899 4.458 1.00 21.55 H new ATOM 0 HD11 ILE A 36 3.802 -5.156 5.511 1.00 31.24 H new ATOM 0 HD12 ILE A 36 2.275 -4.244 5.466 1.00 31.24 H new ATOM 0 HD13 ILE A 36 2.287 -5.980 5.073 1.00 31.24 H new ATOM 511 N TYR A 37 -1.187 -6.068 3.044 1.00 32.00 N ATOM 512 CA TYR A 37 -2.576 -5.963 2.648 1.00 23.22 C ATOM 513 C TYR A 37 -3.082 -4.778 3.346 1.00 52.05 C ATOM 514 O TYR A 37 -2.617 -4.455 4.444 1.00 44.01 O ATOM 515 CB TYR A 37 -3.481 -7.139 3.123 1.00 22.43 C ATOM 516 CG TYR A 37 -3.121 -8.396 2.388 1.00 50.13 C ATOM 517 CD1 TYR A 37 -1.952 -9.119 2.717 1.00 40.45 C ATOM 518 CD2 TYR A 37 -3.980 -8.907 1.385 1.00 73.22 C ATOM 519 CE1 TYR A 37 -1.645 -10.317 2.053 1.00 50.34 C ATOM 520 CE2 TYR A 37 -3.678 -10.112 0.732 1.00 34.33 C ATOM 521 CZ TYR A 37 -2.509 -10.815 1.067 1.00 42.42 C ATOM 522 OH TYR A 37 -2.210 -12.025 0.433 1.00 61.00 O ATOM 0 H TYR A 37 -1.034 -6.397 3.997 1.00 32.00 H new ATOM 0 HA TYR A 37 -2.610 -5.944 1.559 1.00 23.22 H new ATOM 0 HB2 TYR A 37 -3.362 -7.289 4.196 1.00 22.43 H new ATOM 0 HB3 TYR A 37 -4.529 -6.895 2.950 1.00 22.43 H new ATOM 0 HD1 TYR A 37 -1.290 -8.747 3.485 1.00 40.45 H new ATOM 0 HD2 TYR A 37 -4.876 -8.365 1.120 1.00 73.22 H new ATOM 0 HE1 TYR A 37 -0.743 -10.856 2.302 1.00 50.34 H new ATOM 0 HE2 TYR A 37 -4.343 -10.498 -0.026 1.00 34.33 H new ATOM 0 HH TYR A 37 -2.908 -12.231 -0.224 1.00 61.00 H new ATOM 532 N VAL A 38 -4.073 -4.110 2.755 1.00 40.30 N ATOM 533 CA VAL A 38 -4.700 -3.019 3.405 1.00 42.42 C ATOM 534 C VAL A 38 -5.757 -3.622 4.312 1.00 3.45 C ATOM 535 O VAL A 38 -6.836 -4.043 3.878 1.00 3.52 O ATOM 536 CB VAL A 38 -5.341 -2.056 2.424 1.00 14.44 C ATOM 537 CG1 VAL A 38 -5.974 -0.886 3.198 1.00 73.41 C ATOM 538 CG2 VAL A 38 -4.239 -1.598 1.438 1.00 35.04 C ATOM 0 H VAL A 38 -4.440 -4.325 1.828 1.00 40.30 H new ATOM 0 HA VAL A 38 -3.963 -2.438 3.959 1.00 42.42 H new ATOM 0 HB VAL A 38 -6.144 -2.524 1.855 1.00 14.44 H new ATOM 0 HG11 VAL A 38 -6.435 -0.192 2.495 1.00 73.41 H new ATOM 0 HG12 VAL A 38 -6.732 -1.269 3.881 1.00 73.41 H new ATOM 0 HG13 VAL A 38 -5.203 -0.367 3.767 1.00 73.41 H new ATOM 0 HG21 VAL A 38 -4.664 -0.902 0.715 1.00 35.04 H new ATOM 0 HG22 VAL A 38 -3.439 -1.104 1.990 1.00 35.04 H new ATOM 0 HG23 VAL A 38 -3.837 -2.465 0.914 1.00 35.04 H new ATOM 548 N LYS A 39 -5.403 -3.674 5.605 1.00 53.03 N ATOM 549 CA LYS A 39 -6.236 -4.273 6.638 1.00 15.31 C ATOM 550 C LYS A 39 -7.448 -3.408 6.885 1.00 22.11 C ATOM 551 O LYS A 39 -8.502 -3.903 7.300 1.00 52.42 O ATOM 552 CB LYS A 39 -5.451 -4.362 7.972 1.00 13.20 C ATOM 553 CG LYS A 39 -6.088 -5.241 9.040 1.00 10.44 C ATOM 554 CD LYS A 39 -5.314 -5.215 10.359 1.00 51.23 C ATOM 555 CE LYS A 39 -5.991 -6.006 11.482 1.00 4.44 C ATOM 556 NZ LYS A 39 -5.122 -6.059 12.669 1.00 32.32 N ATOM 0 H LYS A 39 -4.523 -3.297 5.957 1.00 53.03 H new ATOM 0 HA LYS A 39 -6.531 -5.267 6.301 1.00 15.31 H new ATOM 0 HB2 LYS A 39 -4.450 -4.740 7.762 1.00 13.20 H new ATOM 0 HB3 LYS A 39 -5.334 -3.356 8.374 1.00 13.20 H new ATOM 0 HG2 LYS A 39 -7.111 -4.909 9.216 1.00 10.44 H new ATOM 0 HG3 LYS A 39 -6.144 -6.267 8.676 1.00 10.44 H new ATOM 0 HD2 LYS A 39 -4.315 -5.619 10.193 1.00 51.23 H new ATOM 0 HD3 LYS A 39 -5.191 -4.180 10.678 1.00 51.23 H new ATOM 0 HE2 LYS A 39 -6.942 -5.541 11.740 1.00 4.44 H new ATOM 0 HE3 LYS A 39 -6.213 -7.017 11.141 1.00 4.44 H new ATOM 0 HZ1 LYS A 39 -5.595 -6.599 13.422 1.00 32.32 H new ATOM 0 HZ2 LYS A 39 -4.225 -6.523 12.422 1.00 32.32 H new ATOM 0 HZ3 LYS A 39 -4.932 -5.093 13.003 1.00 32.32 H new ATOM 570 N ALA A 40 -7.331 -2.124 6.608 1.00 63.34 N ATOM 571 CA ALA A 40 -8.445 -1.239 6.742 1.00 21.25 C ATOM 572 C ALA A 40 -7.973 0.031 6.206 1.00 43.52 C ATOM 573 O ALA A 40 -6.769 0.243 6.081 1.00 71.12 O ATOM 574 CB ALA A 40 -8.928 -0.989 8.194 1.00 71.12 C ATOM 0 H ALA A 40 -6.469 -1.681 6.289 1.00 63.34 H new ATOM 0 HA ALA A 40 -9.298 -1.685 6.230 1.00 21.25 H new ATOM 0 HB1 ALA A 40 -9.776 -0.304 8.183 1.00 71.12 H new ATOM 0 HB2 ALA A 40 -9.231 -1.934 8.645 1.00 71.12 H new ATOM 0 HB3 ALA A 40 -8.117 -0.552 8.777 1.00 71.12 H new ATOM 580 N VAL A 41 -8.900 0.909 5.861 1.00 31.34 N ATOM 581 CA VAL A 41 -8.557 2.199 5.383 1.00 54.02 C ATOM 582 C VAL A 41 -9.133 3.108 6.417 1.00 34.05 C ATOM 583 O VAL A 41 -10.279 2.919 6.834 1.00 4.45 O ATOM 584 CB VAL A 41 -9.205 2.524 4.030 1.00 34.13 C ATOM 585 CG1 VAL A 41 -8.580 3.819 3.460 1.00 34.05 C ATOM 586 CG2 VAL A 41 -9.012 1.310 3.095 1.00 4.04 C ATOM 0 H VAL A 41 -9.903 0.730 5.911 1.00 31.34 H new ATOM 0 HA VAL A 41 -7.482 2.290 5.231 1.00 54.02 H new ATOM 0 HB VAL A 41 -10.275 2.705 4.134 1.00 34.13 H new ATOM 0 HG11 VAL A 41 -9.039 4.052 2.499 1.00 34.05 H new ATOM 0 HG12 VAL A 41 -8.753 4.642 4.153 1.00 34.05 H new ATOM 0 HG13 VAL A 41 -7.508 3.677 3.325 1.00 34.05 H new ATOM 0 HG21 VAL A 41 -9.466 1.521 2.127 1.00 4.04 H new ATOM 0 HG22 VAL A 41 -7.947 1.118 2.963 1.00 4.04 H new ATOM 0 HG23 VAL A 41 -9.486 0.433 3.535 1.00 4.04 H new ATOM 596 N ILE A 42 -8.357 4.089 6.890 1.00 63.15 N ATOM 597 CA ILE A 42 -8.874 5.062 7.828 1.00 23.02 C ATOM 598 C ILE A 42 -9.596 6.101 6.995 1.00 21.32 C ATOM 599 O ILE A 42 -9.297 6.271 5.805 1.00 21.04 O ATOM 600 CB ILE A 42 -7.802 5.708 8.729 1.00 3.24 C ATOM 601 CG1 ILE A 42 -6.901 6.737 7.990 1.00 21.50 C ATOM 602 CG2 ILE A 42 -7.012 4.565 9.400 1.00 32.32 C ATOM 603 CD1 ILE A 42 -6.153 6.171 6.800 1.00 63.54 C ATOM 0 H ILE A 42 -7.378 4.221 6.635 1.00 63.15 H new ATOM 0 HA ILE A 42 -9.537 4.564 8.535 1.00 23.02 H new ATOM 0 HB ILE A 42 -8.287 6.316 9.493 1.00 3.24 H new ATOM 0 HG12 ILE A 42 -7.520 7.568 7.653 1.00 21.50 H new ATOM 0 HG13 ILE A 42 -6.179 7.144 8.698 1.00 21.50 H new ATOM 0 HG21 ILE A 42 -6.242 4.986 10.047 1.00 32.32 H new ATOM 0 HG22 ILE A 42 -7.691 3.953 9.994 1.00 32.32 H new ATOM 0 HG23 ILE A 42 -6.544 3.947 8.633 1.00 32.32 H new ATOM 0 HD11 ILE A 42 -5.549 6.955 6.343 1.00 63.54 H new ATOM 0 HD12 ILE A 42 -5.504 5.360 7.130 1.00 63.54 H new ATOM 0 HD13 ILE A 42 -6.867 5.790 6.069 1.00 63.54 H new ATOM 615 N PRO A 43 -10.619 6.745 7.557 1.00 51.43 N ATOM 616 CA PRO A 43 -11.394 7.723 6.821 1.00 63.14 C ATOM 617 C PRO A 43 -10.587 8.966 6.790 1.00 5.01 C ATOM 618 O PRO A 43 -9.542 9.017 7.464 1.00 20.10 O ATOM 619 CB PRO A 43 -12.608 7.954 7.714 1.00 15.52 C ATOM 620 CG PRO A 43 -12.019 7.827 9.121 1.00 64.15 C ATOM 621 CD PRO A 43 -11.068 6.616 8.960 1.00 14.44 C ATOM 0 HA PRO A 43 -11.662 7.425 5.807 1.00 63.14 H new ATOM 0 HB2 PRO A 43 -13.052 8.935 7.548 1.00 15.52 H new ATOM 0 HB3 PRO A 43 -13.390 7.216 7.534 1.00 15.52 H new ATOM 0 HG2 PRO A 43 -11.485 8.728 9.423 1.00 64.15 H new ATOM 0 HG3 PRO A 43 -12.789 7.645 9.871 1.00 64.15 H new ATOM 0 HD2 PRO A 43 -10.233 6.660 9.659 1.00 14.44 H new ATOM 0 HD3 PRO A 43 -11.581 5.671 9.136 1.00 14.44 H new ATOM 629 N GLN A 44 -11.093 10.008 6.105 1.00 54.14 N ATOM 630 CA GLN A 44 -10.554 11.344 6.231 1.00 42.14 C ATOM 631 C GLN A 44 -9.067 11.307 5.958 1.00 25.32 C ATOM 632 O GLN A 44 -8.244 11.753 6.766 1.00 73.04 O ATOM 633 CB GLN A 44 -10.873 11.973 7.624 1.00 2.24 C ATOM 634 CG GLN A 44 -12.234 12.717 7.666 1.00 44.41 C ATOM 635 CD GLN A 44 -13.360 11.743 7.319 1.00 64.13 C ATOM 636 OE1 GLN A 44 -13.829 10.991 8.174 1.00 5.24 O ATOM 637 NE2 GLN A 44 -13.800 11.743 6.048 1.00 43.42 N ATOM 0 H GLN A 44 -11.879 9.933 5.459 1.00 54.14 H new ATOM 0 HA GLN A 44 -11.034 11.988 5.494 1.00 42.14 H new ATOM 0 HB2 GLN A 44 -10.874 11.186 8.378 1.00 2.24 H new ATOM 0 HB3 GLN A 44 -10.078 12.669 7.891 1.00 2.24 H new ATOM 0 HG2 GLN A 44 -12.398 13.141 8.657 1.00 44.41 H new ATOM 0 HG3 GLN A 44 -12.228 13.548 6.961 1.00 44.41 H new ATOM 0 HE21 GLN A 44 -13.388 12.380 5.366 1.00 43.42 H new ATOM 0 HE22 GLN A 44 -14.545 11.106 5.766 1.00 43.42 H new ATOM 646 N GLY A 45 -8.707 10.746 4.810 1.00 31.21 N ATOM 647 CA GLY A 45 -7.335 10.581 4.475 1.00 34.34 C ATOM 648 C GLY A 45 -7.298 10.492 3.005 1.00 15.12 C ATOM 649 O GLY A 45 -8.329 10.313 2.370 1.00 55.45 O ATOM 0 H GLY A 45 -9.362 10.403 4.107 1.00 31.21 H new ATOM 0 HA2 GLY A 45 -6.740 11.421 4.833 1.00 34.34 H new ATOM 0 HA3 GLY A 45 -6.924 9.681 4.933 1.00 34.34 H new ATOM 653 N ALA A 46 -6.086 10.606 2.433 1.00 51.25 N ATOM 654 CA ALA A 46 -5.906 10.688 0.987 1.00 2.12 C ATOM 655 C ALA A 46 -6.406 9.412 0.371 1.00 32.50 C ATOM 656 O ALA A 46 -7.201 9.431 -0.556 1.00 22.12 O ATOM 657 CB ALA A 46 -4.433 10.871 0.572 1.00 24.33 C ATOM 0 H ALA A 46 -5.215 10.643 2.962 1.00 51.25 H new ATOM 0 HA ALA A 46 -6.460 11.561 0.641 1.00 2.12 H new ATOM 0 HB1 ALA A 46 -4.365 10.925 -0.515 1.00 24.33 H new ATOM 0 HB2 ALA A 46 -4.044 11.792 1.006 1.00 24.33 H new ATOM 0 HB3 ALA A 46 -3.846 10.025 0.931 1.00 24.33 H new ATOM 663 N ALA A 47 -5.929 8.268 0.914 1.00 21.42 N ATOM 664 CA ALA A 47 -6.271 6.947 0.380 1.00 72.44 C ATOM 665 C ALA A 47 -7.784 6.781 0.281 1.00 32.13 C ATOM 666 O ALA A 47 -8.296 6.416 -0.777 1.00 20.34 O ATOM 667 CB ALA A 47 -5.727 5.802 1.262 1.00 21.15 C ATOM 0 H ALA A 47 -5.307 8.243 1.722 1.00 21.42 H new ATOM 0 HA ALA A 47 -5.811 6.889 -0.606 1.00 72.44 H new ATOM 0 HB1 ALA A 47 -6.006 4.843 0.826 1.00 21.15 H new ATOM 0 HB2 ALA A 47 -4.641 5.872 1.320 1.00 21.15 H new ATOM 0 HB3 ALA A 47 -6.150 5.882 2.263 1.00 21.15 H new ATOM 673 N GLU A 48 -8.524 7.083 1.371 1.00 2.00 N ATOM 674 CA GLU A 48 -9.985 6.973 1.356 1.00 23.35 C ATOM 675 C GLU A 48 -10.562 7.986 0.397 1.00 32.14 C ATOM 676 O GLU A 48 -11.332 7.637 -0.474 1.00 73.21 O ATOM 677 CB GLU A 48 -10.628 7.214 2.752 1.00 65.12 C ATOM 678 CG GLU A 48 -12.180 7.289 2.753 1.00 25.25 C ATOM 679 CD GLU A 48 -12.749 6.042 2.117 1.00 44.45 C ATOM 680 OE1 GLU A 48 -12.415 4.940 2.574 1.00 63.33 O ATOM 681 OE2 GLU A 48 -13.555 6.169 1.157 1.00 5.40 O ATOM 0 H GLU A 48 -8.132 7.400 2.258 1.00 2.00 H new ATOM 0 HA GLU A 48 -10.213 5.953 1.048 1.00 23.35 H new ATOM 0 HB2 GLU A 48 -10.317 6.413 3.422 1.00 65.12 H new ATOM 0 HB3 GLU A 48 -10.234 8.144 3.162 1.00 65.12 H new ATOM 0 HG2 GLU A 48 -12.548 7.389 3.774 1.00 25.25 H new ATOM 0 HG3 GLU A 48 -12.512 8.172 2.206 1.00 25.25 H new ATOM 688 N SER A 49 -10.203 9.271 0.564 1.00 0.53 N ATOM 689 CA SER A 49 -10.809 10.361 -0.203 1.00 43.51 C ATOM 690 C SER A 49 -10.650 10.137 -1.703 1.00 75.11 C ATOM 691 O SER A 49 -11.510 10.563 -2.488 1.00 60.41 O ATOM 692 CB SER A 49 -10.207 11.738 0.165 1.00 33.55 C ATOM 693 OG SER A 49 -10.518 12.045 1.538 1.00 24.44 O ATOM 0 H SER A 49 -9.492 9.576 1.228 1.00 0.53 H new ATOM 0 HA SER A 49 -11.868 10.363 0.056 1.00 43.51 H new ATOM 0 HB2 SER A 49 -9.127 11.726 0.019 1.00 33.55 H new ATOM 0 HB3 SER A 49 -10.608 12.510 -0.492 1.00 33.55 H new ATOM 0 HG SER A 49 -9.889 11.580 2.128 1.00 24.44 H new ATOM 699 N ASP A 50 -9.579 9.442 -2.129 1.00 41.23 N ATOM 700 CA ASP A 50 -9.369 9.227 -3.557 1.00 73.55 C ATOM 701 C ASP A 50 -10.095 7.959 -3.947 1.00 25.01 C ATOM 702 O ASP A 50 -10.567 7.829 -5.059 1.00 1.42 O ATOM 703 CB ASP A 50 -7.892 9.102 -3.975 1.00 74.40 C ATOM 704 CG ASP A 50 -7.755 9.410 -5.479 1.00 62.13 C ATOM 705 OD1 ASP A 50 -8.739 9.864 -6.108 1.00 32.43 O ATOM 706 OD2 ASP A 50 -6.657 9.243 -6.027 1.00 31.13 O ATOM 0 H ASP A 50 -8.870 9.034 -1.520 1.00 41.23 H new ATOM 0 HA ASP A 50 -9.752 10.109 -4.070 1.00 73.55 H new ATOM 0 HB2 ASP A 50 -7.279 9.792 -3.395 1.00 74.40 H new ATOM 0 HB3 ASP A 50 -7.527 8.097 -3.764 1.00 74.40 H new ATOM 711 N GLY A 51 -10.249 7.008 -2.994 1.00 3.12 N ATOM 712 CA GLY A 51 -11.080 5.830 -3.230 1.00 15.05 C ATOM 713 C GLY A 51 -10.356 4.831 -4.074 1.00 54.41 C ATOM 714 O GLY A 51 -10.983 3.969 -4.686 1.00 11.45 O ATOM 0 H GLY A 51 -9.812 7.043 -2.073 1.00 3.12 H new ATOM 0 HA2 GLY A 51 -11.355 5.377 -2.278 1.00 15.05 H new ATOM 0 HA3 GLY A 51 -12.007 6.126 -3.722 1.00 15.05 H new ATOM 718 N ARG A 52 -9.015 4.921 -4.140 1.00 34.41 N ATOM 719 CA ARG A 52 -8.254 4.025 -5.000 1.00 42.45 C ATOM 720 C ARG A 52 -7.586 2.985 -4.150 1.00 54.02 C ATOM 721 O ARG A 52 -6.783 2.203 -4.635 1.00 32.11 O ATOM 722 CB ARG A 52 -7.181 4.730 -5.828 1.00 52.12 C ATOM 723 CG ARG A 52 -7.727 5.864 -6.691 1.00 60.41 C ATOM 724 CD ARG A 52 -6.663 6.465 -7.617 1.00 14.54 C ATOM 725 NE ARG A 52 -7.233 7.695 -8.248 1.00 64.42 N ATOM 726 CZ ARG A 52 -7.786 7.700 -9.519 1.00 63.13 C ATOM 727 NH1 ARG A 52 -7.854 6.548 -10.258 1.00 21.20 N ATOM 728 NH2 ARG A 52 -8.261 8.863 -10.027 1.00 2.54 N ATOM 0 H ARG A 52 -8.454 5.593 -3.616 1.00 34.41 H new ATOM 0 HA ARG A 52 -8.966 3.588 -5.700 1.00 42.45 H new ATOM 0 HB2 ARG A 52 -6.419 5.128 -5.158 1.00 52.12 H new ATOM 0 HB3 ARG A 52 -6.690 3.999 -6.470 1.00 52.12 H new ATOM 0 HG2 ARG A 52 -8.557 5.492 -7.291 1.00 60.41 H new ATOM 0 HG3 ARG A 52 -8.126 6.647 -6.046 1.00 60.41 H new ATOM 0 HD2 ARG A 52 -5.763 6.709 -7.053 1.00 14.54 H new ATOM 0 HD3 ARG A 52 -6.374 5.744 -8.382 1.00 14.54 H new ATOM 0 HE ARG A 52 -7.214 8.568 -7.720 1.00 64.42 H new ATOM 0 HH11 ARG A 52 -7.495 5.674 -9.874 1.00 21.20 H new ATOM 0 HH12 ARG A 52 -8.263 6.565 -11.192 1.00 21.20 H new ATOM 0 HH21 ARG A 52 -8.209 9.719 -9.475 1.00 2.54 H new ATOM 0 HH22 ARG A 52 -8.671 8.882 -10.961 1.00 2.54 H new ATOM 742 N ILE A 53 -7.910 2.973 -2.864 1.00 54.31 N ATOM 743 CA ILE A 53 -7.358 2.007 -1.958 1.00 71.50 C ATOM 744 C ILE A 53 -8.584 1.437 -1.319 1.00 31.25 C ATOM 745 O ILE A 53 -9.517 2.175 -1.017 1.00 24.24 O ATOM 746 CB ILE A 53 -6.398 2.592 -0.883 1.00 62.32 C ATOM 747 CG1 ILE A 53 -4.957 2.778 -1.467 1.00 0.33 C ATOM 748 CG2 ILE A 53 -6.360 1.654 0.350 1.00 51.45 C ATOM 749 CD1 ILE A 53 -4.717 4.034 -2.290 1.00 25.22 C ATOM 0 H ILE A 53 -8.559 3.632 -2.434 1.00 54.31 H new ATOM 0 HA ILE A 53 -6.727 1.289 -2.481 1.00 71.50 H new ATOM 0 HB ILE A 53 -6.770 3.570 -0.579 1.00 62.32 H new ATOM 0 HG12 ILE A 53 -4.249 2.773 -0.638 1.00 0.33 H new ATOM 0 HG13 ILE A 53 -4.726 1.913 -2.089 1.00 0.33 H new ATOM 0 HG21 ILE A 53 -5.686 2.067 1.101 1.00 51.45 H new ATOM 0 HG22 ILE A 53 -7.362 1.565 0.771 1.00 51.45 H new ATOM 0 HG23 ILE A 53 -6.005 0.669 0.047 1.00 51.45 H new ATOM 0 HD11 ILE A 53 -3.684 4.049 -2.638 1.00 25.22 H new ATOM 0 HD12 ILE A 53 -5.389 4.041 -3.148 1.00 25.22 H new ATOM 0 HD13 ILE A 53 -4.905 4.914 -1.675 1.00 25.22 H new ATOM 761 N HIS A 54 -8.632 0.103 -1.163 1.00 45.05 N ATOM 762 CA HIS A 54 -9.792 -0.539 -0.614 1.00 42.12 C ATOM 763 C HIS A 54 -9.290 -1.691 0.177 1.00 72.42 C ATOM 764 O HIS A 54 -8.128 -2.084 0.045 1.00 51.40 O ATOM 765 CB HIS A 54 -10.787 -1.052 -1.691 1.00 12.32 C ATOM 766 CG HIS A 54 -11.519 0.092 -2.354 1.00 51.31 C ATOM 767 ND1 HIS A 54 -11.978 0.056 -3.650 1.00 45.11 N ATOM 768 CD2 HIS A 54 -11.893 1.277 -1.839 1.00 22.14 C ATOM 769 CE1 HIS A 54 -12.594 1.209 -3.900 1.00 34.45 C ATOM 770 NE2 HIS A 54 -12.553 1.957 -2.808 1.00 63.02 N ATOM 0 H HIS A 54 -7.874 -0.531 -1.414 1.00 45.05 H new ATOM 0 HA HIS A 54 -10.348 0.184 -0.017 1.00 42.12 H new ATOM 0 HB2 HIS A 54 -10.247 -1.626 -2.444 1.00 12.32 H new ATOM 0 HB3 HIS A 54 -11.507 -1.729 -1.231 1.00 12.32 H new ATOM 0 HD2 HIS A 54 -11.702 1.624 -0.834 1.00 22.14 H new ATOM 0 HE1 HIS A 54 -13.051 1.488 -4.838 1.00 34.45 H new ATOM 0 HE2 HIS A 54 -12.952 2.891 -2.712 1.00 63.02 H new ATOM 779 N LYS A 55 -10.151 -2.230 1.074 1.00 25.51 N ATOM 780 CA LYS A 55 -9.760 -3.304 1.965 1.00 12.32 C ATOM 781 C LYS A 55 -9.494 -4.522 1.142 1.00 33.30 C ATOM 782 O LYS A 55 -10.272 -4.852 0.238 1.00 75.34 O ATOM 783 CB LYS A 55 -10.877 -3.703 2.963 1.00 60.03 C ATOM 784 CG LYS A 55 -11.349 -2.570 3.889 1.00 32.43 C ATOM 785 CD LYS A 55 -12.618 -2.941 4.681 1.00 71.23 C ATOM 786 CE LYS A 55 -13.889 -3.005 3.793 1.00 52.13 C ATOM 787 NZ LYS A 55 -15.054 -3.504 4.545 1.00 62.04 N ATOM 0 H LYS A 55 -11.118 -1.925 1.185 1.00 25.51 H new ATOM 0 HA LYS A 55 -8.893 -2.950 2.522 1.00 12.32 H new ATOM 0 HB2 LYS A 55 -11.733 -4.073 2.399 1.00 60.03 H new ATOM 0 HB3 LYS A 55 -10.518 -4.529 3.577 1.00 60.03 H new ATOM 0 HG2 LYS A 55 -10.550 -2.320 4.587 1.00 32.43 H new ATOM 0 HG3 LYS A 55 -11.544 -1.678 3.294 1.00 32.43 H new ATOM 0 HD2 LYS A 55 -12.469 -3.907 5.163 1.00 71.23 H new ATOM 0 HD3 LYS A 55 -12.772 -2.209 5.474 1.00 71.23 H new ATOM 0 HE2 LYS A 55 -14.108 -2.013 3.399 1.00 52.13 H new ATOM 0 HE3 LYS A 55 -13.703 -3.654 2.937 1.00 52.13 H new ATOM 0 HZ1 LYS A 55 -15.884 -3.533 3.920 1.00 62.04 H new ATOM 0 HZ2 LYS A 55 -14.854 -4.461 4.900 1.00 62.04 H new ATOM 0 HZ3 LYS A 55 -15.247 -2.871 5.347 1.00 62.04 H new ATOM 801 N GLY A 56 -8.414 -5.235 1.451 1.00 12.11 N ATOM 802 CA GLY A 56 -8.187 -6.524 0.841 1.00 51.03 C ATOM 803 C GLY A 56 -7.131 -6.373 -0.190 1.00 30.01 C ATOM 804 O GLY A 56 -6.400 -7.320 -0.467 1.00 23.14 O ATOM 0 H GLY A 56 -7.696 -4.940 2.112 1.00 12.11 H new ATOM 0 HA2 GLY A 56 -7.882 -7.251 1.593 1.00 51.03 H new ATOM 0 HA3 GLY A 56 -9.106 -6.898 0.391 1.00 51.03 H new ATOM 808 N ASP A 57 -7.024 -5.163 -0.804 1.00 72.33 N ATOM 809 CA ASP A 57 -6.037 -4.922 -1.854 1.00 44.45 C ATOM 810 C ASP A 57 -4.693 -4.946 -1.201 1.00 13.00 C ATOM 811 O ASP A 57 -4.589 -4.736 0.017 1.00 42.41 O ATOM 812 CB ASP A 57 -6.218 -3.551 -2.587 1.00 15.12 C ATOM 813 CG ASP A 57 -7.524 -3.570 -3.397 1.00 52.34 C ATOM 814 OD1 ASP A 57 -8.083 -4.675 -3.647 1.00 54.22 O ATOM 815 OD2 ASP A 57 -8.009 -2.481 -3.785 1.00 34.24 O ATOM 0 H ASP A 57 -7.609 -4.358 -0.582 1.00 72.33 H new ATOM 0 HA ASP A 57 -6.157 -5.692 -2.616 1.00 44.45 H new ATOM 0 HB2 ASP A 57 -6.240 -2.739 -1.861 1.00 15.12 H new ATOM 0 HB3 ASP A 57 -5.371 -3.365 -3.247 1.00 15.12 H new ATOM 820 N ARG A 58 -3.629 -5.262 -1.976 1.00 40.23 N ATOM 821 CA ARG A 58 -2.340 -5.416 -1.389 1.00 41.04 C ATOM 822 C ARG A 58 -1.399 -4.506 -2.090 1.00 15.30 C ATOM 823 O ARG A 58 -1.606 -4.151 -3.235 1.00 43.55 O ATOM 824 CB ARG A 58 -1.774 -6.863 -1.422 1.00 21.33 C ATOM 825 CG ARG A 58 -1.499 -7.461 -2.810 1.00 25.22 C ATOM 826 CD ARG A 58 -0.787 -8.831 -2.724 1.00 51.12 C ATOM 827 NE ARG A 58 -0.411 -9.268 -4.116 1.00 64.41 N ATOM 828 CZ ARG A 58 0.861 -9.712 -4.465 1.00 74.02 C ATOM 829 NH1 ARG A 58 1.857 -9.837 -3.528 1.00 0.15 N ATOM 830 NH2 ARG A 58 1.112 -10.028 -5.764 1.00 73.23 N ATOM 0 H ARG A 58 -3.666 -5.406 -2.985 1.00 40.23 H new ATOM 0 HA ARG A 58 -2.449 -5.171 -0.333 1.00 41.04 H new ATOM 0 HB2 ARG A 58 -0.844 -6.878 -0.854 1.00 21.33 H new ATOM 0 HB3 ARG A 58 -2.476 -7.516 -0.903 1.00 21.33 H new ATOM 0 HG2 ARG A 58 -2.440 -7.576 -3.348 1.00 25.22 H new ATOM 0 HG3 ARG A 58 -0.885 -6.770 -3.387 1.00 25.22 H new ATOM 0 HD2 ARG A 58 0.102 -8.756 -2.098 1.00 51.12 H new ATOM 0 HD3 ARG A 58 -1.442 -9.569 -2.260 1.00 51.12 H new ATOM 0 HE ARG A 58 -1.127 -9.237 -4.842 1.00 64.41 H new ATOM 0 HH11 ARG A 58 1.672 -9.602 -2.553 1.00 0.15 H new ATOM 0 HH12 ARG A 58 2.782 -10.165 -3.807 1.00 0.15 H new ATOM 0 HH21 ARG A 58 0.374 -9.938 -6.463 1.00 73.23 H new ATOM 0 HH22 ARG A 58 2.038 -10.355 -6.040 1.00 73.23 H new ATOM 844 N VAL A 59 -0.341 -4.107 -1.378 1.00 15.11 N ATOM 845 CA VAL A 59 0.655 -3.234 -1.899 1.00 0.44 C ATOM 846 C VAL A 59 1.722 -4.126 -2.467 1.00 43.15 C ATOM 847 O VAL A 59 2.134 -5.105 -1.826 1.00 54.24 O ATOM 848 CB VAL A 59 1.272 -2.327 -0.828 1.00 74.45 C ATOM 849 CG1 VAL A 59 2.228 -1.322 -1.505 1.00 44.23 C ATOM 850 CG2 VAL A 59 0.114 -1.631 -0.066 1.00 44.44 C ATOM 0 H VAL A 59 -0.172 -4.398 -0.415 1.00 15.11 H new ATOM 0 HA VAL A 59 0.210 -2.570 -2.640 1.00 0.44 H new ATOM 0 HB VAL A 59 1.862 -2.894 -0.108 1.00 74.45 H new ATOM 0 HG11 VAL A 59 2.670 -0.674 -0.748 1.00 44.23 H new ATOM 0 HG12 VAL A 59 3.018 -1.865 -2.024 1.00 44.23 H new ATOM 0 HG13 VAL A 59 1.672 -0.717 -2.221 1.00 44.23 H new ATOM 0 HG21 VAL A 59 0.526 -0.978 0.704 1.00 44.44 H new ATOM 0 HG22 VAL A 59 -0.478 -1.040 -0.765 1.00 44.44 H new ATOM 0 HG23 VAL A 59 -0.521 -2.385 0.399 1.00 44.44 H new ATOM 860 N LEU A 60 2.155 -3.825 -3.696 1.00 74.23 N ATOM 861 CA LEU A 60 3.188 -4.598 -4.354 1.00 25.31 C ATOM 862 C LEU A 60 4.483 -3.899 -4.100 1.00 2.22 C ATOM 863 O LEU A 60 5.397 -4.471 -3.529 1.00 54.11 O ATOM 864 CB LEU A 60 3.009 -4.615 -5.890 1.00 50.55 C ATOM 865 CG LEU A 60 1.811 -5.437 -6.376 1.00 33.01 C ATOM 866 CD1 LEU A 60 1.260 -4.892 -7.676 1.00 13.30 C ATOM 867 CD2 LEU A 60 2.122 -6.934 -6.487 1.00 55.43 C ATOM 0 H LEU A 60 1.798 -3.046 -4.249 1.00 74.23 H new ATOM 0 HA LEU A 60 3.149 -5.619 -3.974 1.00 25.31 H new ATOM 0 HB2 LEU A 60 2.898 -3.590 -6.243 1.00 50.55 H new ATOM 0 HB3 LEU A 60 3.916 -5.012 -6.345 1.00 50.55 H new ATOM 0 HG LEU A 60 1.039 -5.338 -5.613 1.00 33.01 H new ATOM 0 HD11 LEU A 60 0.411 -5.497 -7.994 1.00 13.30 H new ATOM 0 HD12 LEU A 60 0.936 -3.861 -7.530 1.00 13.30 H new ATOM 0 HD13 LEU A 60 2.035 -4.924 -8.442 1.00 13.30 H new ATOM 0 HD21 LEU A 60 1.236 -7.465 -6.836 1.00 55.43 H new ATOM 0 HD22 LEU A 60 2.937 -7.085 -7.195 1.00 55.43 H new ATOM 0 HD23 LEU A 60 2.414 -7.318 -5.510 1.00 55.43 H new ATOM 879 N ALA A 61 4.592 -2.623 -4.535 1.00 34.34 N ATOM 880 CA ALA A 61 5.828 -1.895 -4.380 1.00 23.13 C ATOM 881 C ALA A 61 5.474 -0.560 -3.853 1.00 11.35 C ATOM 882 O ALA A 61 4.400 -0.058 -4.141 1.00 34.54 O ATOM 883 CB ALA A 61 6.563 -1.659 -5.721 1.00 22.15 C ATOM 0 H ALA A 61 3.841 -2.101 -4.986 1.00 34.34 H new ATOM 0 HA ALA A 61 6.482 -2.475 -3.729 1.00 23.13 H new ATOM 0 HB1 ALA A 61 7.485 -1.107 -5.538 1.00 22.15 H new ATOM 0 HB2 ALA A 61 6.800 -2.619 -6.180 1.00 22.15 H new ATOM 0 HB3 ALA A 61 5.923 -1.085 -6.391 1.00 22.15 H new ATOM 889 N VAL A 62 6.392 0.058 -3.079 1.00 42.53 N ATOM 890 CA VAL A 62 6.207 1.414 -2.621 1.00 50.33 C ATOM 891 C VAL A 62 7.425 2.140 -3.084 1.00 21.41 C ATOM 892 O VAL A 62 8.520 1.687 -2.865 1.00 62.11 O ATOM 893 CB VAL A 62 6.149 1.562 -1.102 1.00 61.34 C ATOM 894 CG1 VAL A 62 5.994 3.058 -0.736 1.00 31.13 C ATOM 895 CG2 VAL A 62 5.000 0.707 -0.562 1.00 4.13 C ATOM 0 H VAL A 62 7.261 -0.377 -2.769 1.00 42.53 H new ATOM 0 HA VAL A 62 5.257 1.787 -3.005 1.00 50.33 H new ATOM 0 HB VAL A 62 7.072 1.209 -0.642 1.00 61.34 H new ATOM 0 HG11 VAL A 62 5.952 3.165 0.348 1.00 31.13 H new ATOM 0 HG12 VAL A 62 6.845 3.617 -1.123 1.00 31.13 H new ATOM 0 HG13 VAL A 62 5.075 3.446 -1.174 1.00 31.13 H new ATOM 0 HG21 VAL A 62 4.951 0.806 0.522 1.00 4.13 H new ATOM 0 HG22 VAL A 62 4.060 1.042 -1.000 1.00 4.13 H new ATOM 0 HG23 VAL A 62 5.170 -0.338 -0.823 1.00 4.13 H new ATOM 905 N ASN A 63 7.228 3.307 -3.726 1.00 35.21 N ATOM 906 CA ASN A 63 8.331 4.192 -4.154 1.00 35.01 C ATOM 907 C ASN A 63 9.296 3.409 -5.052 1.00 53.14 C ATOM 908 O ASN A 63 10.484 3.695 -5.133 1.00 64.12 O ATOM 909 CB ASN A 63 9.103 4.805 -2.927 1.00 30.11 C ATOM 910 CG ASN A 63 10.190 5.792 -3.374 1.00 31.10 C ATOM 911 OD1 ASN A 63 11.317 5.752 -2.867 1.00 31.21 O ATOM 912 ND2 ASN A 63 9.866 6.688 -4.315 1.00 75.43 N ATOM 0 H ASN A 63 6.302 3.663 -3.963 1.00 35.21 H new ATOM 0 HA ASN A 63 7.900 5.023 -4.712 1.00 35.01 H new ATOM 0 HB2 ASN A 63 8.397 5.314 -2.271 1.00 30.11 H new ATOM 0 HB3 ASN A 63 9.557 4.003 -2.345 1.00 30.11 H new ATOM 0 HD21 ASN A 63 10.559 7.365 -4.634 1.00 75.43 H new ATOM 0 HD22 ASN A 63 8.927 6.693 -4.712 1.00 75.43 H new ATOM 919 N GLY A 64 8.762 2.420 -5.777 1.00 33.15 N ATOM 920 CA GLY A 64 9.535 1.702 -6.762 1.00 2.32 C ATOM 921 C GLY A 64 10.210 0.556 -6.092 1.00 1.41 C ATOM 922 O GLY A 64 10.808 -0.293 -6.753 1.00 50.10 O ATOM 0 H GLY A 64 7.795 2.108 -5.690 1.00 33.15 H new ATOM 0 HA2 GLY A 64 8.888 1.344 -7.563 1.00 2.32 H new ATOM 0 HA3 GLY A 64 10.273 2.362 -7.218 1.00 2.32 H new ATOM 926 N VAL A 65 10.156 0.498 -4.753 1.00 65.21 N ATOM 927 CA VAL A 65 10.786 -0.516 -4.029 1.00 25.51 C ATOM 928 C VAL A 65 9.807 -1.643 -3.936 1.00 53.14 C ATOM 929 O VAL A 65 8.749 -1.499 -3.318 1.00 72.11 O ATOM 930 CB VAL A 65 11.092 -0.040 -2.617 1.00 22.44 C ATOM 931 CG1 VAL A 65 11.732 -1.162 -1.840 1.00 22.53 C ATOM 932 CG2 VAL A 65 11.963 1.226 -2.702 1.00 32.13 C ATOM 0 H VAL A 65 9.660 1.178 -4.176 1.00 65.21 H new ATOM 0 HA VAL A 65 11.717 -0.810 -4.514 1.00 25.51 H new ATOM 0 HB VAL A 65 10.184 0.230 -2.078 1.00 22.44 H new ATOM 0 HG11 VAL A 65 11.953 -0.824 -0.828 1.00 22.53 H new ATOM 0 HG12 VAL A 65 11.050 -2.011 -1.798 1.00 22.53 H new ATOM 0 HG13 VAL A 65 12.657 -1.463 -2.331 1.00 22.53 H new ATOM 0 HG21 VAL A 65 12.191 1.579 -1.696 1.00 32.13 H new ATOM 0 HG22 VAL A 65 12.891 0.995 -3.224 1.00 32.13 H new ATOM 0 HG23 VAL A 65 11.425 2.002 -3.246 1.00 32.13 H new ATOM 942 N SER A 66 10.149 -2.792 -4.550 1.00 52.00 N ATOM 943 CA SER A 66 9.372 -4.011 -4.420 1.00 3.44 C ATOM 944 C SER A 66 9.222 -4.313 -2.940 1.00 11.43 C ATOM 945 O SER A 66 10.204 -4.378 -2.200 1.00 43.54 O ATOM 946 CB SER A 66 10.032 -5.198 -5.128 1.00 61.13 C ATOM 947 OG SER A 66 10.193 -4.882 -6.525 1.00 33.24 O ATOM 0 H SER A 66 10.972 -2.887 -5.145 1.00 52.00 H new ATOM 0 HA SER A 66 8.402 -3.861 -4.893 1.00 3.44 H new ATOM 0 HB2 SER A 66 11.001 -5.414 -4.677 1.00 61.13 H new ATOM 0 HB3 SER A 66 9.420 -6.093 -5.013 1.00 61.13 H new ATOM 0 HG SER A 66 10.617 -5.637 -6.984 1.00 33.24 H new ATOM 953 N LEU A 67 7.961 -4.355 -2.480 1.00 12.04 N ATOM 954 CA LEU A 67 7.669 -4.290 -1.072 1.00 15.44 C ATOM 955 C LEU A 67 7.200 -5.641 -0.655 1.00 14.05 C ATOM 956 O LEU A 67 7.165 -5.960 0.501 1.00 54.11 O ATOM 957 CB LEU A 67 6.539 -3.247 -0.807 1.00 42.41 C ATOM 958 CG LEU A 67 6.497 -2.616 0.595 1.00 3.42 C ATOM 959 CD1 LEU A 67 5.748 -3.469 1.632 1.00 21.42 C ATOM 960 CD2 LEU A 67 7.873 -2.090 1.064 1.00 31.34 C ATOM 0 H LEU A 67 7.139 -4.434 -3.078 1.00 12.04 H new ATOM 0 HA LEU A 67 8.555 -3.989 -0.512 1.00 15.44 H new ATOM 0 HB2 LEU A 67 6.638 -2.445 -1.538 1.00 42.41 H new ATOM 0 HB3 LEU A 67 5.580 -3.730 -0.992 1.00 42.41 H new ATOM 0 HG LEU A 67 5.881 -1.722 0.500 1.00 3.42 H new ATOM 0 HD11 LEU A 67 5.759 -2.962 2.597 1.00 21.42 H new ATOM 0 HD12 LEU A 67 4.717 -3.612 1.309 1.00 21.42 H new ATOM 0 HD13 LEU A 67 6.237 -4.439 1.727 1.00 21.42 H new ATOM 0 HD21 LEU A 67 7.777 -1.657 2.060 1.00 31.34 H new ATOM 0 HD22 LEU A 67 8.586 -2.914 1.094 1.00 31.34 H new ATOM 0 HD23 LEU A 67 8.227 -1.328 0.370 1.00 31.34 H new ATOM 972 N GLU A 68 6.847 -6.488 -1.625 1.00 4.12 N ATOM 973 CA GLU A 68 6.410 -7.838 -1.319 1.00 13.44 C ATOM 974 C GLU A 68 7.527 -8.548 -0.556 1.00 24.21 C ATOM 975 O GLU A 68 8.656 -8.632 -1.035 1.00 42.22 O ATOM 976 CB GLU A 68 6.111 -8.660 -2.581 1.00 73.40 C ATOM 977 CG GLU A 68 5.027 -8.054 -3.482 1.00 14.31 C ATOM 978 CD GLU A 68 4.817 -9.007 -4.638 1.00 33.00 C ATOM 979 OE1 GLU A 68 4.319 -10.121 -4.404 1.00 43.13 O ATOM 980 OE2 GLU A 68 5.169 -8.656 -5.784 1.00 64.42 O ATOM 0 H GLU A 68 6.857 -6.259 -2.619 1.00 4.12 H new ATOM 0 HA GLU A 68 5.493 -7.761 -0.735 1.00 13.44 H new ATOM 0 HB2 GLU A 68 7.030 -8.767 -3.158 1.00 73.40 H new ATOM 0 HB3 GLU A 68 5.803 -9.662 -2.284 1.00 73.40 H new ATOM 0 HG2 GLU A 68 4.100 -7.914 -2.926 1.00 14.31 H new ATOM 0 HG3 GLU A 68 5.333 -7.072 -3.844 1.00 14.31 H new ATOM 987 N GLY A 69 7.220 -9.038 0.666 1.00 60.42 N ATOM 988 CA GLY A 69 8.215 -9.742 1.472 1.00 53.35 C ATOM 989 C GLY A 69 8.743 -8.803 2.505 1.00 22.54 C ATOM 990 O GLY A 69 9.359 -9.230 3.482 1.00 4.22 O ATOM 0 H GLY A 69 6.302 -8.956 1.102 1.00 60.42 H new ATOM 0 HA2 GLY A 69 7.768 -10.615 1.948 1.00 53.35 H new ATOM 0 HA3 GLY A 69 9.026 -10.104 0.840 1.00 53.35 H new ATOM 994 N ALA A 70 8.522 -7.496 2.318 1.00 44.40 N ATOM 995 CA ALA A 70 9.020 -6.518 3.244 1.00 33.14 C ATOM 996 C ALA A 70 8.065 -6.497 4.400 1.00 42.02 C ATOM 997 O ALA A 70 6.893 -6.852 4.261 1.00 75.31 O ATOM 998 CB ALA A 70 9.114 -5.105 2.646 1.00 75.23 C ATOM 0 H ALA A 70 8.001 -7.110 1.531 1.00 44.40 H new ATOM 0 HA ALA A 70 10.034 -6.795 3.533 1.00 33.14 H new ATOM 0 HB1 ALA A 70 9.497 -4.416 3.399 1.00 75.23 H new ATOM 0 HB2 ALA A 70 9.787 -5.117 1.789 1.00 75.23 H new ATOM 0 HB3 ALA A 70 8.124 -4.779 2.326 1.00 75.23 H new ATOM 1004 N THR A 71 8.573 -6.151 5.585 1.00 24.53 N ATOM 1005 CA THR A 71 7.813 -6.298 6.792 1.00 65.12 C ATOM 1006 C THR A 71 6.837 -5.135 6.931 1.00 0.40 C ATOM 1007 O THR A 71 6.775 -4.252 6.081 1.00 0.33 O ATOM 1008 CB THR A 71 8.698 -6.393 8.042 1.00 25.22 C ATOM 1009 OG1 THR A 71 9.426 -5.170 8.248 1.00 21.33 O ATOM 1010 CG2 THR A 71 9.707 -7.540 7.840 1.00 61.41 C ATOM 0 H THR A 71 9.509 -5.769 5.717 1.00 24.53 H new ATOM 0 HA THR A 71 7.267 -7.238 6.717 1.00 65.12 H new ATOM 0 HB THR A 71 8.065 -6.575 8.911 1.00 25.22 H new ATOM 0 HG1 THR A 71 9.982 -5.252 9.051 1.00 21.33 H new ATOM 0 HG21 THR A 71 10.345 -7.622 8.720 1.00 61.41 H new ATOM 0 HG22 THR A 71 9.169 -8.476 7.693 1.00 61.41 H new ATOM 0 HG23 THR A 71 10.322 -7.334 6.964 1.00 61.41 H new ATOM 1018 N HIS A 72 6.037 -5.148 8.044 1.00 55.23 N ATOM 1019 CA HIS A 72 5.116 -4.065 8.351 1.00 53.54 C ATOM 1020 C HIS A 72 5.928 -2.803 8.493 1.00 41.24 C ATOM 1021 O HIS A 72 5.625 -1.803 7.879 1.00 12.35 O ATOM 1022 CB HIS A 72 4.338 -4.225 9.690 1.00 62.31 C ATOM 1023 CG HIS A 72 3.538 -5.472 9.849 1.00 62.32 C ATOM 1024 ND1 HIS A 72 2.932 -6.116 8.810 1.00 53.52 N ATOM 1025 CD2 HIS A 72 3.188 -6.119 10.977 1.00 34.34 C ATOM 1026 CE1 HIS A 72 2.239 -7.132 9.312 1.00 35.22 C ATOM 1027 NE2 HIS A 72 2.377 -7.139 10.622 1.00 12.23 N ATOM 0 H HIS A 72 6.030 -5.906 8.726 1.00 55.23 H new ATOM 0 HA HIS A 72 4.385 -4.054 7.543 1.00 53.54 H new ATOM 0 HB2 HIS A 72 5.055 -4.173 10.509 1.00 62.31 H new ATOM 0 HB3 HIS A 72 3.667 -3.373 9.799 1.00 62.31 H new ATOM 0 HD2 HIS A 72 3.499 -5.868 11.981 1.00 34.34 H new ATOM 0 HE1 HIS A 72 1.657 -7.838 8.739 1.00 35.22 H new ATOM 0 HE2 HIS A 72 1.943 -7.804 11.262 1.00 12.23 H new ATOM 1036 N LYS A 73 7.005 -2.852 9.336 1.00 33.10 N ATOM 1037 CA LYS A 73 7.874 -1.697 9.558 1.00 32.31 C ATOM 1038 C LYS A 73 8.417 -1.200 8.242 1.00 54.02 C ATOM 1039 O LYS A 73 8.253 -0.046 7.912 1.00 62.43 O ATOM 1040 CB LYS A 73 9.064 -1.996 10.505 1.00 62.13 C ATOM 1041 CG LYS A 73 9.955 -0.762 10.777 1.00 24.51 C ATOM 1042 CD LYS A 73 11.098 -0.997 11.777 1.00 33.11 C ATOM 1043 CE LYS A 73 10.721 -0.783 13.258 1.00 50.23 C ATOM 1044 NZ LYS A 73 9.738 -1.775 13.731 1.00 65.14 N ATOM 0 H LYS A 73 7.274 -3.684 9.861 1.00 33.10 H new ATOM 0 HA LYS A 73 7.255 -0.939 10.038 1.00 32.31 H new ATOM 0 HB2 LYS A 73 8.679 -2.373 11.452 1.00 62.13 H new ATOM 0 HB3 LYS A 73 9.675 -2.788 10.071 1.00 62.13 H new ATOM 0 HG2 LYS A 73 10.382 -0.425 9.832 1.00 24.51 H new ATOM 0 HG3 LYS A 73 9.326 0.047 11.149 1.00 24.51 H new ATOM 0 HD2 LYS A 73 11.465 -2.016 11.654 1.00 33.11 H new ATOM 0 HD3 LYS A 73 11.923 -0.329 11.527 1.00 33.11 H new ATOM 0 HE2 LYS A 73 11.619 -0.843 13.872 1.00 50.23 H new ATOM 0 HE3 LYS A 73 10.313 0.220 13.386 1.00 50.23 H new ATOM 0 HZ1 LYS A 73 9.752 -1.809 14.770 1.00 65.14 H new ATOM 0 HZ2 LYS A 73 8.788 -1.504 13.406 1.00 65.14 H new ATOM 0 HZ3 LYS A 73 9.980 -2.712 13.351 1.00 65.14 H new ATOM 1058 N GLN A 74 9.074 -2.089 7.456 1.00 41.33 N ATOM 1059 CA GLN A 74 9.643 -1.695 6.158 1.00 23.35 C ATOM 1060 C GLN A 74 8.568 -1.045 5.301 1.00 63.51 C ATOM 1061 O GLN A 74 8.807 -0.016 4.669 1.00 41.12 O ATOM 1062 CB GLN A 74 10.202 -2.882 5.369 1.00 62.14 C ATOM 1063 CG GLN A 74 11.402 -3.555 6.041 1.00 44.01 C ATOM 1064 CD GLN A 74 11.879 -4.697 5.148 1.00 24.33 C ATOM 1065 OE1 GLN A 74 11.805 -5.869 5.528 1.00 32.41 O ATOM 1066 NE2 GLN A 74 12.367 -4.366 3.939 1.00 10.23 N ATOM 0 H GLN A 74 9.218 -3.069 7.700 1.00 41.33 H new ATOM 0 HA GLN A 74 10.458 -1.006 6.378 1.00 23.35 H new ATOM 0 HB2 GLN A 74 9.412 -3.620 5.232 1.00 62.14 H new ATOM 0 HB3 GLN A 74 10.496 -2.541 4.376 1.00 62.14 H new ATOM 0 HG2 GLN A 74 12.204 -2.833 6.194 1.00 44.01 H new ATOM 0 HG3 GLN A 74 11.122 -3.934 7.024 1.00 44.01 H new ATOM 0 HE21 GLN A 74 12.413 -3.386 3.658 1.00 10.23 H new ATOM 0 HE22 GLN A 74 12.691 -5.095 3.303 1.00 10.23 H new ATOM 1075 N ALA A 75 7.357 -1.653 5.284 1.00 2.53 N ATOM 1076 CA ALA A 75 6.218 -1.127 4.525 1.00 14.14 C ATOM 1077 C ALA A 75 6.007 0.326 4.839 1.00 11.14 C ATOM 1078 O ALA A 75 5.975 1.165 3.934 1.00 34.04 O ATOM 1079 CB ALA A 75 4.889 -1.856 4.810 1.00 21.03 C ATOM 0 H ALA A 75 7.153 -2.513 5.794 1.00 2.53 H new ATOM 0 HA ALA A 75 6.477 -1.284 3.478 1.00 14.14 H new ATOM 0 HB1 ALA A 75 4.094 -1.410 4.212 1.00 21.03 H new ATOM 0 HB2 ALA A 75 4.990 -2.910 4.552 1.00 21.03 H new ATOM 0 HB3 ALA A 75 4.643 -1.763 5.868 1.00 21.03 H new ATOM 1085 N VAL A 76 5.862 0.661 6.132 1.00 3.33 N ATOM 1086 CA VAL A 76 5.533 2.007 6.503 1.00 54.33 C ATOM 1087 C VAL A 76 6.752 2.901 6.331 1.00 15.52 C ATOM 1088 O VAL A 76 6.607 4.034 5.915 1.00 23.25 O ATOM 1089 CB VAL A 76 4.936 2.157 7.896 1.00 22.20 C ATOM 1090 CG1 VAL A 76 3.528 1.524 7.875 1.00 71.21 C ATOM 1091 CG2 VAL A 76 5.856 1.508 8.940 1.00 63.52 C ATOM 0 H VAL A 76 5.970 0.014 6.913 1.00 3.33 H new ATOM 0 HA VAL A 76 4.738 2.321 5.827 1.00 54.33 H new ATOM 0 HB VAL A 76 4.847 3.207 8.176 1.00 22.20 H new ATOM 0 HG11 VAL A 76 3.073 1.616 8.861 1.00 71.21 H new ATOM 0 HG12 VAL A 76 2.909 2.039 7.140 1.00 71.21 H new ATOM 0 HG13 VAL A 76 3.607 0.470 7.609 1.00 71.21 H new ATOM 0 HG21 VAL A 76 5.418 1.622 9.932 1.00 63.52 H new ATOM 0 HG22 VAL A 76 5.972 0.448 8.714 1.00 63.52 H new ATOM 0 HG23 VAL A 76 6.832 1.993 8.916 1.00 63.52 H new ATOM 1101 N CYS A 77 8.008 2.402 6.649 1.00 33.21 N ATOM 1102 CA CYS A 77 9.178 3.355 6.564 1.00 11.03 C ATOM 1103 C CYS A 77 9.278 3.786 5.090 1.00 11.03 C ATOM 1104 O CYS A 77 9.830 4.783 4.760 1.00 33.43 O ATOM 1105 CB CYS A 77 10.551 2.720 6.941 1.00 63.03 C ATOM 1106 SG CYS A 77 10.625 2.062 8.643 1.00 73.01 S ATOM 0 H CYS A 77 8.220 1.447 6.937 1.00 33.21 H new ATOM 0 HA CYS A 77 8.995 4.165 7.269 1.00 11.03 H new ATOM 0 HB2 CYS A 77 10.771 1.914 6.241 1.00 63.03 H new ATOM 0 HB3 CYS A 77 11.332 3.470 6.819 1.00 63.03 H new ATOM 0 HG CYS A 77 9.629 1.250 8.838 1.00 73.01 H new ATOM 1111 N THR A 78 8.905 2.867 4.160 1.00 34.10 N ATOM 1112 CA THR A 78 9.027 3.148 2.737 1.00 52.21 C ATOM 1113 C THR A 78 7.934 4.136 2.352 1.00 54.03 C ATOM 1114 O THR A 78 8.176 5.090 1.614 1.00 11.41 O ATOM 1115 CB THR A 78 8.940 1.892 1.879 1.00 71.15 C ATOM 1116 OG1 THR A 78 9.838 0.888 2.399 1.00 32.54 O ATOM 1117 CG2 THR A 78 9.370 2.248 0.436 1.00 43.51 C ATOM 0 H THR A 78 8.526 1.946 4.382 1.00 34.10 H new ATOM 0 HA THR A 78 10.014 3.572 2.551 1.00 52.21 H new ATOM 0 HB THR A 78 7.920 1.509 1.889 1.00 71.15 H new ATOM 0 HG1 THR A 78 9.347 0.291 3.002 1.00 32.54 H new ATOM 0 HG21 THR A 78 9.313 1.358 -0.191 1.00 43.51 H new ATOM 0 HG22 THR A 78 8.707 3.016 0.038 1.00 43.51 H new ATOM 0 HG23 THR A 78 10.394 2.622 0.443 1.00 43.51 H new ATOM 1125 N LEU A 79 6.717 3.938 2.906 1.00 31.24 N ATOM 1126 CA LEU A 79 5.593 4.860 2.707 1.00 1.24 C ATOM 1127 C LEU A 79 5.952 6.220 3.285 1.00 12.24 C ATOM 1128 O LEU A 79 5.434 7.237 2.846 1.00 51.52 O ATOM 1129 CB LEU A 79 4.261 4.382 3.343 1.00 31.50 C ATOM 1130 CG LEU A 79 3.606 3.185 2.607 1.00 55.11 C ATOM 1131 CD1 LEU A 79 2.523 2.497 3.462 1.00 23.33 C ATOM 1132 CD2 LEU A 79 3.081 3.567 1.198 1.00 74.22 C ATOM 0 H LEU A 79 6.494 3.138 3.499 1.00 31.24 H new ATOM 0 HA LEU A 79 5.426 4.909 1.631 1.00 1.24 H new ATOM 0 HB2 LEU A 79 4.445 4.101 4.380 1.00 31.50 H new ATOM 0 HB3 LEU A 79 3.558 5.215 3.358 1.00 31.50 H new ATOM 0 HG LEU A 79 4.398 2.452 2.452 1.00 55.11 H new ATOM 0 HD11 LEU A 79 2.093 1.665 2.904 1.00 23.33 H new ATOM 0 HD12 LEU A 79 2.970 2.124 4.384 1.00 23.33 H new ATOM 0 HD13 LEU A 79 1.739 3.215 3.703 1.00 23.33 H new ATOM 0 HD21 LEU A 79 2.632 2.692 0.727 1.00 74.22 H new ATOM 0 HD22 LEU A 79 2.332 4.354 1.290 1.00 74.22 H new ATOM 0 HD23 LEU A 79 3.909 3.924 0.586 1.00 74.22 H new ATOM 1144 N ARG A 80 6.819 6.262 4.312 1.00 43.01 N ATOM 1145 CA ARG A 80 7.256 7.533 4.853 1.00 32.34 C ATOM 1146 C ARG A 80 8.342 8.077 3.940 1.00 41.41 C ATOM 1147 O ARG A 80 8.221 9.173 3.432 1.00 1.11 O ATOM 1148 CB ARG A 80 7.818 7.433 6.298 1.00 11.33 C ATOM 1149 CG ARG A 80 7.543 8.684 7.172 1.00 53.52 C ATOM 1150 CD ARG A 80 8.326 9.959 6.805 1.00 33.31 C ATOM 1151 NE ARG A 80 7.740 11.083 7.632 1.00 14.53 N ATOM 1152 CZ ARG A 80 8.490 11.896 8.480 1.00 75.42 C ATOM 1153 NH1 ARG A 80 9.845 11.719 8.636 1.00 41.10 N ATOM 1154 NH2 ARG A 80 7.859 12.877 9.174 1.00 22.22 N ATOM 0 H ARG A 80 7.217 5.441 4.767 1.00 43.01 H new ATOM 0 HA ARG A 80 6.386 8.188 4.903 1.00 32.34 H new ATOM 0 HB2 ARG A 80 7.384 6.560 6.785 1.00 11.33 H new ATOM 0 HB3 ARG A 80 8.894 7.268 6.247 1.00 11.33 H new ATOM 0 HG2 ARG A 80 6.478 8.910 7.120 1.00 53.52 H new ATOM 0 HG3 ARG A 80 7.766 8.432 8.209 1.00 53.52 H new ATOM 0 HD2 ARG A 80 9.388 9.835 7.017 1.00 33.31 H new ATOM 0 HD3 ARG A 80 8.237 10.175 5.740 1.00 33.31 H new ATOM 0 HE ARG A 80 6.737 11.256 7.565 1.00 14.53 H new ATOM 0 HH11 ARG A 80 10.325 10.978 8.124 1.00 41.10 H new ATOM 0 HH12 ARG A 80 10.370 12.328 9.263 1.00 41.10 H new ATOM 0 HH21 ARG A 80 6.853 13.009 9.070 1.00 22.22 H new ATOM 0 HH22 ARG A 80 8.391 13.482 9.800 1.00 22.22 H new ATOM 1168 N ASN A 81 9.450 7.288 3.754 1.00 34.32 N ATOM 1169 CA ASN A 81 10.693 7.709 3.000 1.00 34.15 C ATOM 1170 C ASN A 81 10.436 7.864 1.508 1.00 25.34 C ATOM 1171 O ASN A 81 11.255 7.461 0.677 1.00 55.54 O ATOM 1172 CB ASN A 81 11.878 6.697 3.131 1.00 5.32 C ATOM 1173 CG ASN A 81 12.278 6.579 4.594 1.00 24.41 C ATOM 1174 OD1 ASN A 81 11.809 7.341 5.446 1.00 31.21 O ATOM 1175 ND2 ASN A 81 13.158 5.622 4.908 1.00 34.53 N ATOM 0 H ASN A 81 9.511 6.339 4.122 1.00 34.32 H new ATOM 0 HA ASN A 81 10.961 8.660 3.460 1.00 34.15 H new ATOM 0 HB2 ASN A 81 11.583 5.722 2.743 1.00 5.32 H new ATOM 0 HB3 ASN A 81 12.727 7.034 2.536 1.00 5.32 H new ATOM 0 HD21 ASN A 81 13.461 5.505 5.875 1.00 34.53 H new ATOM 0 HD22 ASN A 81 13.526 5.009 4.181 1.00 34.53 H new ATOM 1182 N THR A 82 9.346 8.466 1.166 1.00 34.55 N ATOM 1183 CA THR A 82 9.014 8.835 -0.161 1.00 45.53 C ATOM 1184 C THR A 82 8.770 10.341 -0.047 1.00 12.21 C ATOM 1185 O THR A 82 9.063 10.940 0.998 1.00 12.05 O ATOM 1186 CB THR A 82 7.786 8.060 -0.677 1.00 4.11 C ATOM 1187 OG1 THR A 82 7.221 8.582 -1.885 1.00 72.10 O ATOM 1188 CG2 THR A 82 6.771 7.981 0.439 1.00 20.13 C ATOM 0 H THR A 82 8.629 8.725 1.843 1.00 34.55 H new ATOM 0 HA THR A 82 9.790 8.597 -0.888 1.00 45.53 H new ATOM 0 HB THR A 82 8.117 7.060 -0.959 1.00 4.11 H new ATOM 0 HG1 THR A 82 7.105 7.856 -2.532 1.00 72.10 H new ATOM 0 HG21 THR A 82 5.893 7.435 0.094 1.00 20.13 H new ATOM 0 HG22 THR A 82 7.208 7.463 1.292 1.00 20.13 H new ATOM 0 HG23 THR A 82 6.479 8.988 0.737 1.00 20.13 H new ATOM 1196 N GLY A 83 8.326 10.974 -1.128 1.00 21.35 N ATOM 1197 CA GLY A 83 8.253 12.406 -1.197 1.00 41.20 C ATOM 1198 C GLY A 83 6.848 12.803 -0.898 1.00 53.34 C ATOM 1199 O GLY A 83 6.181 12.202 -0.068 1.00 33.12 O ATOM 0 H GLY A 83 8.010 10.498 -1.973 1.00 21.35 H new ATOM 0 HA2 GLY A 83 8.939 12.859 -0.481 1.00 41.20 H new ATOM 0 HA3 GLY A 83 8.547 12.757 -2.186 1.00 41.20 H new ATOM 1203 N GLN A 84 6.390 13.878 -1.571 1.00 13.45 N ATOM 1204 CA GLN A 84 5.067 14.400 -1.355 1.00 52.14 C ATOM 1205 C GLN A 84 4.069 13.375 -1.819 1.00 34.30 C ATOM 1206 O GLN A 84 3.199 12.946 -1.054 1.00 53.12 O ATOM 1207 CB GLN A 84 4.807 15.698 -2.154 1.00 34.24 C ATOM 1208 CG GLN A 84 3.412 16.287 -1.913 1.00 62.04 C ATOM 1209 CD GLN A 84 3.220 17.465 -2.852 1.00 21.02 C ATOM 1210 OE1 GLN A 84 4.165 17.908 -3.506 1.00 35.12 O ATOM 1211 NE2 GLN A 84 1.986 17.984 -2.937 1.00 14.23 N ATOM 0 H GLN A 84 6.935 14.388 -2.266 1.00 13.45 H new ATOM 0 HA GLN A 84 4.971 14.623 -0.292 1.00 52.14 H new ATOM 0 HB2 GLN A 84 5.559 16.440 -1.884 1.00 34.24 H new ATOM 0 HB3 GLN A 84 4.929 15.493 -3.218 1.00 34.24 H new ATOM 0 HG2 GLN A 84 2.646 15.532 -2.090 1.00 62.04 H new ATOM 0 HG3 GLN A 84 3.310 16.608 -0.876 1.00 62.04 H new ATOM 0 HE21 GLN A 84 1.228 17.590 -2.380 1.00 14.23 H new ATOM 0 HE22 GLN A 84 1.806 18.772 -3.559 1.00 14.23 H new ATOM 1220 N VAL A 85 4.186 12.949 -3.084 1.00 3.33 N ATOM 1221 CA VAL A 85 3.277 11.998 -3.619 1.00 51.42 C ATOM 1222 C VAL A 85 4.033 10.722 -3.726 1.00 23.43 C ATOM 1223 O VAL A 85 5.238 10.716 -3.995 1.00 55.03 O ATOM 1224 CB VAL A 85 2.724 12.442 -4.964 1.00 0.31 C ATOM 1225 CG1 VAL A 85 1.805 11.362 -5.560 1.00 1.20 C ATOM 1226 CG2 VAL A 85 1.978 13.768 -4.693 1.00 11.51 C ATOM 0 H VAL A 85 4.908 13.263 -3.733 1.00 3.33 H new ATOM 0 HA VAL A 85 2.405 11.883 -2.975 1.00 51.42 H new ATOM 0 HB VAL A 85 3.511 12.592 -5.703 1.00 0.31 H new ATOM 0 HG11 VAL A 85 1.421 11.701 -6.522 1.00 1.20 H new ATOM 0 HG12 VAL A 85 2.370 10.440 -5.700 1.00 1.20 H new ATOM 0 HG13 VAL A 85 0.972 11.178 -4.881 1.00 1.20 H new ATOM 0 HG21 VAL A 85 1.554 14.144 -5.624 1.00 11.51 H new ATOM 0 HG22 VAL A 85 1.178 13.595 -3.974 1.00 11.51 H new ATOM 0 HG23 VAL A 85 2.676 14.502 -4.290 1.00 11.51 H new ATOM 1236 N VAL A 86 3.341 9.620 -3.444 1.00 21.33 N ATOM 1237 CA VAL A 86 3.948 8.348 -3.339 1.00 21.40 C ATOM 1238 C VAL A 86 3.383 7.543 -4.448 1.00 2.12 C ATOM 1239 O VAL A 86 2.208 7.687 -4.801 1.00 62.24 O ATOM 1240 CB VAL A 86 3.589 7.667 -2.020 1.00 62.44 C ATOM 1241 CG1 VAL A 86 4.339 6.314 -1.892 1.00 30.12 C ATOM 1242 CG2 VAL A 86 3.943 8.648 -0.898 1.00 42.31 C ATOM 0 H VAL A 86 2.334 9.613 -3.285 1.00 21.33 H new ATOM 0 HA VAL A 86 5.033 8.440 -3.382 1.00 21.40 H new ATOM 0 HB VAL A 86 2.527 7.427 -1.965 1.00 62.44 H new ATOM 0 HG11 VAL A 86 4.074 5.839 -0.947 1.00 30.12 H new ATOM 0 HG12 VAL A 86 4.056 5.662 -2.718 1.00 30.12 H new ATOM 0 HG13 VAL A 86 5.414 6.490 -1.921 1.00 30.12 H new ATOM 0 HG21 VAL A 86 3.702 8.200 0.066 1.00 42.31 H new ATOM 0 HG22 VAL A 86 5.008 8.875 -0.936 1.00 42.31 H new ATOM 0 HG23 VAL A 86 3.371 9.567 -1.025 1.00 42.31 H new ATOM 1252 N HIS A 87 4.202 6.666 -5.026 1.00 64.35 N ATOM 1253 CA HIS A 87 3.702 5.684 -5.930 1.00 13.11 C ATOM 1254 C HIS A 87 3.731 4.426 -5.168 1.00 63.12 C ATOM 1255 O HIS A 87 4.769 4.015 -4.661 1.00 22.02 O ATOM 1256 CB HIS A 87 4.537 5.482 -7.206 1.00 65.05 C ATOM 1257 CG HIS A 87 4.234 6.518 -8.238 1.00 3.41 C ATOM 1258 ND1 HIS A 87 4.283 6.254 -9.576 1.00 54.44 N ATOM 1259 CD2 HIS A 87 3.836 7.794 -8.091 1.00 42.13 C ATOM 1260 CE1 HIS A 87 3.903 7.350 -10.224 1.00 71.33 C ATOM 1261 NE2 HIS A 87 3.631 8.294 -9.334 1.00 64.43 N ATOM 0 H HIS A 87 5.210 6.632 -4.872 1.00 64.35 H new ATOM 0 HA HIS A 87 2.720 6.004 -6.277 1.00 13.11 H new ATOM 0 HB2 HIS A 87 5.597 5.518 -6.956 1.00 65.05 H new ATOM 0 HB3 HIS A 87 4.340 4.492 -7.616 1.00 65.05 H new ATOM 0 HD2 HIS A 87 3.704 8.321 -7.158 1.00 42.13 H new ATOM 0 HE1 HIS A 87 3.828 7.454 -11.296 1.00 71.33 H new ATOM 0 HE2 HIS A 87 3.319 9.241 -9.549 1.00 64.43 H new ATOM 1270 N LEU A 88 2.582 3.814 -5.049 1.00 73.23 N ATOM 1271 CA LEU A 88 2.478 2.573 -4.397 1.00 31.54 C ATOM 1272 C LEU A 88 1.591 1.762 -5.250 1.00 51.35 C ATOM 1273 O LEU A 88 0.500 2.171 -5.584 1.00 64.43 O ATOM 1274 CB LEU A 88 2.044 2.620 -2.889 1.00 72.33 C ATOM 1275 CG LEU A 88 0.775 3.450 -2.488 1.00 15.14 C ATOM 1276 CD1 LEU A 88 0.743 4.919 -2.972 1.00 4.11 C ATOM 1277 CD2 LEU A 88 -0.532 2.710 -2.712 1.00 3.41 C ATOM 0 H LEU A 88 1.700 4.179 -5.409 1.00 73.23 H new ATOM 0 HA LEU A 88 3.467 2.127 -4.296 1.00 31.54 H new ATOM 0 HB2 LEU A 88 1.883 1.593 -2.561 1.00 72.33 H new ATOM 0 HB3 LEU A 88 2.886 3.009 -2.316 1.00 72.33 H new ATOM 0 HG LEU A 88 0.884 3.551 -1.408 1.00 15.14 H new ATOM 0 HD11 LEU A 88 -0.180 5.393 -2.636 1.00 4.11 H new ATOM 0 HD12 LEU A 88 1.597 5.456 -2.561 1.00 4.11 H new ATOM 0 HD13 LEU A 88 0.788 4.944 -4.061 1.00 4.11 H new ATOM 0 HD21 LEU A 88 -1.366 3.345 -2.413 1.00 3.41 H new ATOM 0 HD22 LEU A 88 -0.630 2.456 -3.767 1.00 3.41 H new ATOM 0 HD23 LEU A 88 -0.540 1.797 -2.117 1.00 3.41 H new ATOM 1289 N LEU A 89 2.114 0.643 -5.774 1.00 32.41 N ATOM 1290 CA LEU A 89 1.362 -0.161 -6.690 1.00 21.53 C ATOM 1291 C LEU A 89 0.519 -1.039 -5.881 1.00 53.32 C ATOM 1292 O LEU A 89 0.925 -1.510 -4.813 1.00 63.44 O ATOM 1293 CB LEU A 89 2.251 -1.071 -7.589 1.00 60.31 C ATOM 1294 CG LEU A 89 2.879 -0.352 -8.804 1.00 22.43 C ATOM 1295 CD1 LEU A 89 3.544 0.984 -8.445 1.00 73.13 C ATOM 1296 CD2 LEU A 89 3.802 -1.272 -9.624 1.00 24.13 C ATOM 0 H LEU A 89 3.050 0.294 -5.568 1.00 32.41 H new ATOM 0 HA LEU A 89 0.807 0.506 -7.349 1.00 21.53 H new ATOM 0 HB2 LEU A 89 3.050 -1.493 -6.980 1.00 60.31 H new ATOM 0 HB3 LEU A 89 1.649 -1.906 -7.948 1.00 60.31 H new ATOM 0 HG LEU A 89 2.043 -0.095 -9.455 1.00 22.43 H new ATOM 0 HD11 LEU A 89 3.964 1.435 -9.344 1.00 73.13 H new ATOM 0 HD12 LEU A 89 2.801 1.656 -8.015 1.00 73.13 H new ATOM 0 HD13 LEU A 89 4.340 0.811 -7.720 1.00 73.13 H new ATOM 0 HD21 LEU A 89 4.216 -0.716 -10.465 1.00 24.13 H new ATOM 0 HD22 LEU A 89 4.614 -1.630 -8.991 1.00 24.13 H new ATOM 0 HD23 LEU A 89 3.230 -2.122 -9.997 1.00 24.13 H new ATOM 1308 N LEU A 90 -0.668 -1.270 -6.384 1.00 12.22 N ATOM 1309 CA LEU A 90 -1.617 -2.095 -5.709 1.00 1.21 C ATOM 1310 C LEU A 90 -1.752 -3.286 -6.554 1.00 12.25 C ATOM 1311 O LEU A 90 -1.560 -3.209 -7.768 1.00 14.03 O ATOM 1312 CB LEU A 90 -3.061 -1.515 -5.602 1.00 35.15 C ATOM 1313 CG LEU A 90 -3.182 -0.013 -5.278 1.00 43.32 C ATOM 1314 CD1 LEU A 90 -2.486 0.422 -3.998 1.00 31.33 C ATOM 1315 CD2 LEU A 90 -2.823 0.878 -6.454 1.00 20.21 C ATOM 0 H LEU A 90 -0.996 -0.889 -7.272 1.00 12.22 H new ATOM 0 HA LEU A 90 -1.251 -2.238 -4.692 1.00 1.21 H new ATOM 0 HB2 LEU A 90 -3.573 -1.702 -6.546 1.00 35.15 H new ATOM 0 HB3 LEU A 90 -3.596 -2.073 -4.833 1.00 35.15 H new ATOM 0 HG LEU A 90 -4.245 0.127 -5.081 1.00 43.32 H new ATOM 0 HD11 LEU A 90 -2.626 1.493 -3.854 1.00 31.33 H new ATOM 0 HD12 LEU A 90 -2.912 -0.117 -3.151 1.00 31.33 H new ATOM 0 HD13 LEU A 90 -1.421 0.202 -4.070 1.00 31.33 H new ATOM 0 HD21 LEU A 90 -2.928 1.923 -6.164 1.00 20.21 H new ATOM 0 HD22 LEU A 90 -1.793 0.686 -6.755 1.00 20.21 H new ATOM 0 HD23 LEU A 90 -3.490 0.665 -7.289 1.00 20.21 H new ATOM 1327 N GLU A 91 -2.169 -4.388 -5.965 1.00 22.31 N ATOM 1328 CA GLU A 91 -2.671 -5.468 -6.725 1.00 51.34 C ATOM 1329 C GLU A 91 -4.015 -5.638 -6.125 1.00 24.42 C ATOM 1330 O GLU A 91 -4.144 -5.569 -4.891 1.00 3.31 O ATOM 1331 CB GLU A 91 -1.895 -6.795 -6.546 1.00 3.24 C ATOM 1332 CG GLU A 91 -2.300 -7.875 -7.558 1.00 71.22 C ATOM 1333 CD GLU A 91 -1.613 -9.152 -7.183 1.00 54.11 C ATOM 1334 OE1 GLU A 91 -1.996 -9.730 -6.161 1.00 32.41 O ATOM 1335 OE2 GLU A 91 -0.662 -9.579 -7.889 1.00 71.02 O ATOM 0 H GLU A 91 -2.162 -4.541 -4.956 1.00 22.31 H new ATOM 0 HA GLU A 91 -2.620 -5.258 -7.793 1.00 51.34 H new ATOM 0 HB2 GLU A 91 -0.827 -6.599 -6.642 1.00 3.24 H new ATOM 0 HB3 GLU A 91 -2.061 -7.172 -5.537 1.00 3.24 H new ATOM 0 HG2 GLU A 91 -3.381 -8.011 -7.556 1.00 71.22 H new ATOM 0 HG3 GLU A 91 -2.018 -7.574 -8.567 1.00 71.22 H new ATOM 1342 N LYS A 92 -5.066 -5.815 -6.955 1.00 34.22 N ATOM 1343 CA LYS A 92 -6.400 -5.994 -6.404 1.00 21.13 C ATOM 1344 C LYS A 92 -6.387 -7.243 -5.585 1.00 73.13 C ATOM 1345 O LYS A 92 -5.763 -8.247 -5.958 1.00 32.12 O ATOM 1346 CB LYS A 92 -7.549 -6.086 -7.435 1.00 35.10 C ATOM 1347 CG LYS A 92 -7.838 -4.764 -8.164 1.00 1.41 C ATOM 1348 CD LYS A 92 -8.290 -3.619 -7.233 1.00 63.33 C ATOM 1349 CE LYS A 92 -9.626 -3.878 -6.516 1.00 53.45 C ATOM 1350 NZ LYS A 92 -9.920 -2.785 -5.579 1.00 53.35 N ATOM 0 H LYS A 92 -5.009 -5.836 -7.973 1.00 34.22 H new ATOM 0 HA LYS A 92 -6.613 -5.095 -5.826 1.00 21.13 H new ATOM 0 HB2 LYS A 92 -7.302 -6.850 -8.172 1.00 35.10 H new ATOM 0 HB3 LYS A 92 -8.455 -6.415 -6.926 1.00 35.10 H new ATOM 0 HG2 LYS A 92 -6.940 -4.452 -8.698 1.00 1.41 H new ATOM 0 HG3 LYS A 92 -8.611 -4.936 -8.913 1.00 1.41 H new ATOM 0 HD2 LYS A 92 -7.516 -3.448 -6.485 1.00 63.33 H new ATOM 0 HD3 LYS A 92 -8.376 -2.703 -7.818 1.00 63.33 H new ATOM 0 HE2 LYS A 92 -10.429 -3.965 -7.248 1.00 53.45 H new ATOM 0 HE3 LYS A 92 -9.581 -4.825 -5.978 1.00 53.45 H new ATOM 0 HZ1 LYS A 92 -10.637 -3.098 -4.894 1.00 53.35 H new ATOM 0 HZ2 LYS A 92 -9.051 -2.518 -5.073 1.00 53.35 H new ATOM 0 HZ3 LYS A 92 -10.280 -1.964 -6.106 1.00 53.35 H new ATOM 1364 N GLY A 93 -7.023 -7.156 -4.413 1.00 31.35 N ATOM 1365 CA GLY A 93 -6.921 -8.150 -3.399 1.00 52.41 C ATOM 1366 C GLY A 93 -7.490 -9.414 -3.870 1.00 64.52 C ATOM 1367 O GLY A 93 -8.115 -9.500 -4.942 1.00 62.44 O ATOM 0 H GLY A 93 -7.626 -6.373 -4.161 1.00 31.35 H new ATOM 0 HA2 GLY A 93 -5.876 -8.293 -3.124 1.00 52.41 H new ATOM 0 HA3 GLY A 93 -7.444 -7.819 -2.502 1.00 52.41 H new