USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 645 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 16 THR OG1 : rot -142:sc= 0.628 USER MOD Set 1.2: A 70 LYS NZ :NH3+ 171:sc= 1.98 (180deg=1.15) USER MOD Set 2.1: A 23 HIS : no HD1:sc= 0.126 K(o=2.8,f=-0.67!) USER MOD Set 2.2: A 64 GLN : amide:sc= 1.06 K(o=2.8,f=1.1) USER MOD Set 2.3: A 67 THR OG1 : rot -80:sc= 1.62 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.308 K(o=-0.31,f=-2!) USER MOD Single : A 22 ASN : amide:sc= 0.497 X(o=0.5,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.00083) USER MOD Single : A 27 SER OG : rot -130:sc= -0.0245 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.764 K(o=-0.76,f=-5.3!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -154:sc= 1.28 (180deg=1.2) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.026) USER MOD Single : A 58 MET CE :methyl 176:sc= -2.29 (180deg=-2.4) USER MOD Single : A 65 HIS : no HD1:sc= -0.647 K(o=-0.65,f=-6.1!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0895) USER MOD Single : A 75 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.3) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N ARG A 3 -12.394 7.723 0.608 1.00 75.42 N ATOM 23 CA ARG A 3 -11.028 7.551 0.124 1.00 73.11 C ATOM 24 C ARG A 3 -10.036 7.369 1.260 1.00 10.52 C ATOM 25 O ARG A 3 -9.697 8.318 1.978 1.00 31.02 O ATOM 26 CB ARG A 3 -10.728 8.705 -0.832 1.00 0.54 C ATOM 27 CG ARG A 3 -9.740 8.401 -1.958 1.00 30.51 C ATOM 28 CD ARG A 3 -8.302 8.227 -1.462 1.00 24.41 C ATOM 29 NE ARG A 3 -7.352 8.960 -2.319 1.00 4.02 N ATOM 30 CZ ARG A 3 -7.037 10.263 -2.250 1.00 22.40 C ATOM 31 NH1 ARG A 3 -7.490 11.052 -1.281 1.00 72.31 N ATOM 32 NH2 ARG A 3 -6.235 10.773 -3.173 1.00 22.33 N ATOM 0 HA ARG A 3 -10.921 6.622 -0.436 1.00 73.11 H new ATOM 0 HB2 ARG A 3 -11.666 9.035 -1.278 1.00 0.54 H new ATOM 0 HB3 ARG A 3 -10.340 9.541 -0.250 1.00 0.54 H new ATOM 0 HG2 ARG A 3 -10.053 7.493 -2.473 1.00 30.51 H new ATOM 0 HG3 ARG A 3 -9.771 9.209 -2.689 1.00 30.51 H new ATOM 0 HD2 ARG A 3 -8.222 8.586 -0.436 1.00 24.41 H new ATOM 0 HD3 ARG A 3 -8.044 7.168 -1.450 1.00 24.41 H new ATOM 0 HE ARG A 3 -6.883 8.417 -3.044 1.00 4.02 H new ATOM 0 HH11 ARG A 3 -8.099 10.672 -0.556 1.00 72.31 H new ATOM 0 HH12 ARG A 3 -7.229 12.038 -1.262 1.00 72.31 H new ATOM 0 HH21 ARG A 3 -5.870 10.178 -3.917 1.00 22.33 H new ATOM 0 HH22 ARG A 3 -5.983 11.761 -3.140 1.00 22.33 H new ATOM 46 N PHE A 4 -9.620 6.126 1.418 1.00 34.42 N ATOM 47 CA PHE A 4 -8.671 5.601 2.395 1.00 72.01 C ATOM 48 C PHE A 4 -7.293 5.486 1.743 1.00 60.51 C ATOM 49 O PHE A 4 -7.196 5.358 0.519 1.00 32.42 O ATOM 50 CB PHE A 4 -9.153 4.218 2.883 1.00 72.55 C ATOM 51 CG PHE A 4 -10.196 4.225 3.993 1.00 73.45 C ATOM 52 CD1 PHE A 4 -11.499 4.704 3.767 1.00 74.03 C ATOM 53 CD2 PHE A 4 -9.880 3.702 5.261 1.00 42.43 C ATOM 54 CE1 PHE A 4 -12.446 4.707 4.807 1.00 2.12 C ATOM 55 CE2 PHE A 4 -10.817 3.722 6.304 1.00 22.15 C ATOM 56 CZ PHE A 4 -12.104 4.226 6.079 1.00 60.20 C ATOM 0 H PHE A 4 -9.968 5.385 0.810 1.00 34.42 H new ATOM 0 HA PHE A 4 -8.604 6.272 3.251 1.00 72.01 H new ATOM 0 HB2 PHE A 4 -9.563 3.677 2.030 1.00 72.55 H new ATOM 0 HB3 PHE A 4 -8.286 3.656 3.230 1.00 72.55 H new ATOM 0 HD1 PHE A 4 -11.774 5.072 2.789 1.00 74.03 H new ATOM 0 HD2 PHE A 4 -8.901 3.279 5.433 1.00 42.43 H new ATOM 0 HE1 PHE A 4 -13.442 5.082 4.625 1.00 2.12 H new ATOM 0 HE2 PHE A 4 -10.546 3.349 7.281 1.00 22.15 H new ATOM 0 HZ PHE A 4 -12.828 4.244 6.880 1.00 60.20 H new ATOM 66 N ILE A 5 -6.232 5.574 2.549 1.00 2.24 N ATOM 67 CA ILE A 5 -4.836 5.481 2.134 1.00 42.11 C ATOM 68 C ILE A 5 -4.075 4.567 3.105 1.00 70.32 C ATOM 69 O ILE A 5 -4.351 4.556 4.305 1.00 41.20 O ATOM 70 CB ILE A 5 -4.185 6.889 2.031 1.00 31.12 C ATOM 71 CG1 ILE A 5 -5.068 7.913 1.280 1.00 42.13 C ATOM 72 CG2 ILE A 5 -2.815 6.813 1.331 1.00 53.21 C ATOM 73 CD1 ILE A 5 -5.837 8.839 2.218 1.00 32.42 C ATOM 0 H ILE A 5 -6.331 5.719 3.554 1.00 2.24 H new ATOM 0 HA ILE A 5 -4.787 5.043 1.137 1.00 42.11 H new ATOM 0 HB ILE A 5 -4.067 7.233 3.058 1.00 31.12 H new ATOM 0 HG12 ILE A 5 -4.439 8.512 0.622 1.00 42.13 H new ATOM 0 HG13 ILE A 5 -5.775 7.378 0.646 1.00 42.13 H new ATOM 0 HG21 ILE A 5 -2.381 7.811 1.272 1.00 53.21 H new ATOM 0 HG22 ILE A 5 -2.151 6.162 1.900 1.00 53.21 H new ATOM 0 HG23 ILE A 5 -2.942 6.412 0.325 1.00 53.21 H new ATOM 0 HD11 ILE A 5 -6.438 9.534 1.631 1.00 32.42 H new ATOM 0 HD12 ILE A 5 -6.490 8.247 2.859 1.00 32.42 H new ATOM 0 HD13 ILE A 5 -5.133 9.398 2.834 1.00 32.42 H new ATOM 85 N VAL A 6 -3.082 3.832 2.620 1.00 4.04 N ATOM 86 CA VAL A 6 -2.251 2.938 3.413 1.00 62.31 C ATOM 87 C VAL A 6 -0.846 3.538 3.404 1.00 32.22 C ATOM 88 O VAL A 6 -0.349 3.961 2.352 1.00 61.12 O ATOM 89 CB VAL A 6 -2.329 1.503 2.864 1.00 71.15 C ATOM 90 CG1 VAL A 6 -1.420 0.551 3.640 1.00 32.13 C ATOM 91 CG2 VAL A 6 -3.754 0.953 2.988 1.00 11.03 C ATOM 0 H VAL A 6 -2.826 3.843 1.633 1.00 4.04 H new ATOM 0 HA VAL A 6 -2.590 2.854 4.445 1.00 62.31 H new ATOM 0 HB VAL A 6 -2.016 1.557 1.821 1.00 71.15 H new ATOM 0 HG11 VAL A 6 -1.503 -0.452 3.222 1.00 32.13 H new ATOM 0 HG12 VAL A 6 -0.387 0.891 3.564 1.00 32.13 H new ATOM 0 HG13 VAL A 6 -1.721 0.534 4.688 1.00 32.13 H new ATOM 0 HG21 VAL A 6 -3.787 -0.063 2.594 1.00 11.03 H new ATOM 0 HG22 VAL A 6 -4.051 0.946 4.037 1.00 11.03 H new ATOM 0 HG23 VAL A 6 -4.438 1.585 2.421 1.00 11.03 H new ATOM 101 N PHE A 7 -0.262 3.642 4.597 1.00 23.31 N ATOM 102 CA PHE A 7 1.061 4.168 4.864 1.00 14.23 C ATOM 103 C PHE A 7 2.009 2.986 4.821 1.00 42.12 C ATOM 104 O PHE A 7 1.940 2.136 5.705 1.00 3.53 O ATOM 105 CB PHE A 7 1.104 4.802 6.267 1.00 60.10 C ATOM 106 CG PHE A 7 2.451 5.389 6.629 1.00 25.22 C ATOM 107 CD1 PHE A 7 2.978 6.459 5.886 1.00 24.12 C ATOM 108 CD2 PHE A 7 3.197 4.857 7.695 1.00 34.13 C ATOM 109 CE1 PHE A 7 4.249 6.971 6.183 1.00 42.23 C ATOM 110 CE2 PHE A 7 4.462 5.371 8.004 1.00 70.11 C ATOM 111 CZ PHE A 7 4.989 6.423 7.243 1.00 3.41 C ATOM 0 H PHE A 7 -0.735 3.341 5.449 1.00 23.31 H new ATOM 0 HA PHE A 7 1.332 4.932 4.135 1.00 14.23 H new ATOM 0 HB2 PHE A 7 0.349 5.586 6.325 1.00 60.10 H new ATOM 0 HB3 PHE A 7 0.837 4.046 7.006 1.00 60.10 H new ATOM 0 HD1 PHE A 7 2.400 6.890 5.081 1.00 24.12 H new ATOM 0 HD2 PHE A 7 2.791 4.045 8.280 1.00 34.13 H new ATOM 0 HE1 PHE A 7 4.657 7.783 5.599 1.00 42.23 H new ATOM 0 HE2 PHE A 7 5.029 4.959 8.825 1.00 70.11 H new ATOM 0 HZ PHE A 7 5.969 6.814 7.473 1.00 3.41 H new ATOM 121 N VAL A 8 2.851 2.882 3.801 1.00 52.51 N ATOM 122 CA VAL A 8 3.802 1.785 3.690 1.00 62.11 C ATOM 123 C VAL A 8 5.170 2.440 3.776 1.00 4.31 C ATOM 124 O VAL A 8 5.386 3.391 3.031 1.00 3.50 O ATOM 125 CB VAL A 8 3.577 0.989 2.390 1.00 63.50 C ATOM 126 CG1 VAL A 8 4.366 -0.326 2.404 1.00 25.24 C ATOM 127 CG2 VAL A 8 2.095 0.638 2.188 1.00 24.34 C ATOM 0 H VAL A 8 2.894 3.551 3.032 1.00 52.51 H new ATOM 0 HA VAL A 8 3.689 1.043 4.480 1.00 62.11 H new ATOM 0 HB VAL A 8 3.919 1.630 1.578 1.00 63.50 H new ATOM 0 HG11 VAL A 8 4.188 -0.867 1.474 1.00 25.24 H new ATOM 0 HG12 VAL A 8 5.430 -0.111 2.501 1.00 25.24 H new ATOM 0 HG13 VAL A 8 4.041 -0.936 3.247 1.00 25.24 H new ATOM 0 HG21 VAL A 8 1.977 0.077 1.261 1.00 24.34 H new ATOM 0 HG22 VAL A 8 1.747 0.033 3.025 1.00 24.34 H new ATOM 0 HG23 VAL A 8 1.508 1.555 2.134 1.00 24.34 H new ATOM 137 N GLY A 9 6.066 2.013 4.674 1.00 12.30 N ATOM 138 CA GLY A 9 7.398 2.607 4.810 1.00 42.14 C ATOM 139 C GLY A 9 8.496 1.556 4.916 1.00 53.11 C ATOM 140 O GLY A 9 8.225 0.354 4.871 1.00 30.43 O ATOM 0 H GLY A 9 5.887 1.248 5.324 1.00 12.30 H new ATOM 0 HA2 GLY A 9 7.596 3.249 3.952 1.00 42.14 H new ATOM 0 HA3 GLY A 9 7.421 3.242 5.695 1.00 42.14 H new ATOM 144 N SER A 10 9.739 2.022 5.045 1.00 5.55 N ATOM 145 CA SER A 10 10.954 1.216 5.132 1.00 4.11 C ATOM 146 C SER A 10 11.293 0.553 3.784 1.00 61.53 C ATOM 147 O SER A 10 12.049 -0.421 3.725 1.00 53.31 O ATOM 148 CB SER A 10 10.864 0.212 6.295 1.00 61.05 C ATOM 149 OG SER A 10 11.939 0.445 7.180 1.00 52.54 O ATOM 0 H SER A 10 9.934 3.022 5.094 1.00 5.55 H new ATOM 0 HA SER A 10 11.790 1.879 5.356 1.00 4.11 H new ATOM 0 HB2 SER A 10 9.914 0.323 6.817 1.00 61.05 H new ATOM 0 HB3 SER A 10 10.901 -0.809 5.916 1.00 61.05 H new ATOM 0 HG SER A 10 11.891 -0.188 7.927 1.00 52.54 H new ATOM 155 N LEU A 11 10.741 1.076 2.684 1.00 25.32 N ATOM 156 CA LEU A 11 10.952 0.552 1.340 1.00 54.53 C ATOM 157 C LEU A 11 12.441 0.615 0.960 1.00 14.03 C ATOM 158 O LEU A 11 13.130 1.552 1.377 1.00 10.15 O ATOM 159 CB LEU A 11 10.065 1.302 0.329 1.00 63.43 C ATOM 160 CG LEU A 11 8.606 0.799 0.314 1.00 53.01 C ATOM 161 CD1 LEU A 11 7.877 0.896 1.660 1.00 64.45 C ATOM 162 CD2 LEU A 11 7.783 1.644 -0.654 1.00 12.35 C ATOM 0 H LEU A 11 10.125 1.889 2.708 1.00 25.32 H new ATOM 0 HA LEU A 11 10.659 -0.498 1.318 1.00 54.53 H new ATOM 0 HB2 LEU A 11 10.074 2.366 0.566 1.00 63.43 H new ATOM 0 HB3 LEU A 11 10.491 1.194 -0.669 1.00 63.43 H new ATOM 0 HG LEU A 11 8.683 -0.251 0.032 1.00 53.01 H new ATOM 0 HD11 LEU A 11 6.860 0.520 1.551 1.00 64.45 H new ATOM 0 HD12 LEU A 11 8.406 0.301 2.404 1.00 64.45 H new ATOM 0 HD13 LEU A 11 7.846 1.937 1.983 1.00 64.45 H new ATOM 0 HD21 LEU A 11 6.753 1.287 -0.663 1.00 12.35 H new ATOM 0 HD22 LEU A 11 7.803 2.686 -0.335 1.00 12.35 H new ATOM 0 HD23 LEU A 11 8.204 1.563 -1.656 1.00 12.35 H new ATOM 174 N PRO A 12 12.931 -0.337 0.145 1.00 25.41 N ATOM 175 CA PRO A 12 14.325 -0.408 -0.277 1.00 72.12 C ATOM 176 C PRO A 12 14.786 0.763 -1.140 1.00 52.24 C ATOM 177 O PRO A 12 14.005 1.377 -1.866 1.00 42.32 O ATOM 178 CB PRO A 12 14.455 -1.722 -1.066 1.00 1.22 C ATOM 179 CG PRO A 12 13.031 -2.089 -1.470 1.00 62.13 C ATOM 180 CD PRO A 12 12.177 -1.465 -0.376 1.00 55.20 C ATOM 0 HA PRO A 12 14.962 -0.365 0.606 1.00 72.12 H new ATOM 0 HB2 PRO A 12 15.092 -1.594 -1.941 1.00 1.22 H new ATOM 0 HB3 PRO A 12 14.905 -2.505 -0.456 1.00 1.22 H new ATOM 0 HG2 PRO A 12 12.778 -1.691 -2.453 1.00 62.13 H new ATOM 0 HG3 PRO A 12 12.894 -3.169 -1.519 1.00 62.13 H new ATOM 0 HD2 PRO A 12 11.216 -1.139 -0.773 1.00 55.20 H new ATOM 0 HD3 PRO A 12 11.967 -2.188 0.412 1.00 55.20 H new ATOM 188 N ARG A 13 16.101 0.991 -1.144 1.00 43.21 N ATOM 189 CA ARG A 13 16.760 2.047 -1.914 1.00 64.20 C ATOM 190 C ARG A 13 16.552 1.877 -3.420 1.00 13.50 C ATOM 191 O ARG A 13 16.565 2.873 -4.141 1.00 34.11 O ATOM 192 CB ARG A 13 18.267 2.042 -1.598 1.00 22.51 C ATOM 193 CG ARG A 13 18.824 3.393 -1.139 1.00 22.34 C ATOM 194 CD ARG A 13 18.918 4.414 -2.275 1.00 61.30 C ATOM 195 NE ARG A 13 19.624 5.626 -1.837 1.00 25.14 N ATOM 196 CZ ARG A 13 20.152 6.564 -2.632 1.00 65.22 C ATOM 197 NH1 ARG A 13 19.960 6.538 -3.947 1.00 31.22 N ATOM 198 NH2 ARG A 13 20.862 7.551 -2.104 1.00 31.51 N ATOM 0 H ARG A 13 16.754 0.431 -0.597 1.00 43.21 H new ATOM 0 HA ARG A 13 16.313 2.999 -1.626 1.00 64.20 H new ATOM 0 HB2 ARG A 13 18.460 1.301 -0.822 1.00 22.51 H new ATOM 0 HB3 ARG A 13 18.811 1.722 -2.487 1.00 22.51 H new ATOM 0 HG2 ARG A 13 18.188 3.793 -0.349 1.00 22.34 H new ATOM 0 HG3 ARG A 13 19.814 3.245 -0.707 1.00 22.34 H new ATOM 0 HD2 ARG A 13 19.440 3.972 -3.124 1.00 61.30 H new ATOM 0 HD3 ARG A 13 17.917 4.676 -2.617 1.00 61.30 H new ATOM 0 HE ARG A 13 19.721 5.766 -0.831 1.00 25.14 H new ATOM 0 HH11 ARG A 13 19.402 5.794 -4.366 1.00 31.22 H new ATOM 0 HH12 ARG A 13 20.371 7.262 -4.537 1.00 31.22 H new ATOM 0 HH21 ARG A 13 21.004 7.594 -1.095 1.00 31.51 H new ATOM 0 HH22 ARG A 13 21.266 8.268 -2.707 1.00 31.51 H new ATOM 212 N ASP A 14 16.358 0.641 -3.883 1.00 31.20 N ATOM 213 CA ASP A 14 16.157 0.304 -5.292 1.00 74.53 C ATOM 214 C ASP A 14 14.709 -0.095 -5.600 1.00 31.04 C ATOM 215 O ASP A 14 14.441 -0.819 -6.562 1.00 22.21 O ATOM 216 CB ASP A 14 17.195 -0.708 -5.770 1.00 22.32 C ATOM 217 CG ASP A 14 17.665 -0.377 -7.186 1.00 74.04 C ATOM 218 OD1 ASP A 14 18.398 0.627 -7.335 1.00 21.23 O ATOM 219 OD2 ASP A 14 17.294 -1.084 -8.152 1.00 73.42 O ATOM 0 H ASP A 14 16.336 -0.175 -3.271 1.00 31.20 H new ATOM 0 HA ASP A 14 16.323 1.208 -5.878 1.00 74.53 H new ATOM 0 HB2 ASP A 14 18.047 -0.710 -5.090 1.00 22.32 H new ATOM 0 HB3 ASP A 14 16.768 -1.711 -5.749 1.00 22.32 H new ATOM 224 N ILE A 15 13.755 0.296 -4.743 1.00 43.34 N ATOM 225 CA ILE A 15 12.338 0.000 -4.944 1.00 34.55 C ATOM 226 C ILE A 15 11.861 0.508 -6.319 1.00 45.13 C ATOM 227 O ILE A 15 12.303 1.562 -6.776 1.00 44.24 O ATOM 228 CB ILE A 15 11.509 0.592 -3.783 1.00 72.00 C ATOM 229 CG1 ILE A 15 10.043 0.129 -3.840 1.00 4.50 C ATOM 230 CG2 ILE A 15 11.561 2.125 -3.759 1.00 41.25 C ATOM 231 CD1 ILE A 15 9.828 -1.353 -3.529 1.00 71.33 C ATOM 0 H ILE A 15 13.949 0.826 -3.893 1.00 43.34 H new ATOM 0 HA ILE A 15 12.192 -1.080 -4.941 1.00 34.55 H new ATOM 0 HB ILE A 15 11.963 0.218 -2.865 1.00 72.00 H new ATOM 0 HG12 ILE A 15 9.461 0.722 -3.135 1.00 4.50 H new ATOM 0 HG13 ILE A 15 9.648 0.339 -4.834 1.00 4.50 H new ATOM 0 HG21 ILE A 15 10.964 2.496 -2.926 1.00 41.25 H new ATOM 0 HG22 ILE A 15 12.594 2.452 -3.639 1.00 41.25 H new ATOM 0 HG23 ILE A 15 11.162 2.517 -4.695 1.00 41.25 H new ATOM 0 HD11 ILE A 15 8.766 -1.588 -3.593 1.00 71.33 H new ATOM 0 HD12 ILE A 15 10.378 -1.959 -4.249 1.00 71.33 H new ATOM 0 HD13 ILE A 15 10.187 -1.570 -2.523 1.00 71.33 H new ATOM 243 N THR A 16 10.970 -0.231 -6.985 1.00 51.12 N ATOM 244 CA THR A 16 10.407 0.121 -8.286 1.00 60.11 C ATOM 245 C THR A 16 8.883 0.038 -8.228 1.00 21.51 C ATOM 246 O THR A 16 8.339 -0.733 -7.432 1.00 23.51 O ATOM 247 CB THR A 16 10.985 -0.787 -9.391 1.00 3.42 C ATOM 248 OG1 THR A 16 11.033 -2.151 -8.990 1.00 72.22 O ATOM 249 CG2 THR A 16 12.396 -0.354 -9.782 1.00 14.42 C ATOM 0 H THR A 16 10.612 -1.114 -6.622 1.00 51.12 H new ATOM 0 HA THR A 16 10.683 1.146 -8.532 1.00 60.11 H new ATOM 0 HB THR A 16 10.314 -0.687 -10.244 1.00 3.42 H new ATOM 0 HG1 THR A 16 11.851 -2.565 -9.337 1.00 72.22 H new ATOM 0 HG21 THR A 16 12.776 -1.013 -10.563 1.00 14.42 H new ATOM 0 HG22 THR A 16 12.373 0.671 -10.152 1.00 14.42 H new ATOM 0 HG23 THR A 16 13.048 -0.410 -8.911 1.00 14.42 H new ATOM 257 N ALA A 17 8.199 0.792 -9.095 1.00 22.04 N ATOM 258 CA ALA A 17 6.744 0.811 -9.199 1.00 63.33 C ATOM 259 C ALA A 17 6.251 -0.588 -9.569 1.00 74.22 C ATOM 260 O ALA A 17 5.173 -0.997 -9.147 1.00 62.13 O ATOM 261 CB ALA A 17 6.321 1.812 -10.278 1.00 21.21 C ATOM 0 H ALA A 17 8.656 1.419 -9.757 1.00 22.04 H new ATOM 0 HA ALA A 17 6.310 1.110 -8.245 1.00 63.33 H new ATOM 0 HB1 ALA A 17 5.234 1.826 -10.355 1.00 21.21 H new ATOM 0 HB2 ALA A 17 6.679 2.807 -10.012 1.00 21.21 H new ATOM 0 HB3 ALA A 17 6.749 1.517 -11.236 1.00 21.21 H new ATOM 267 N VAL A 18 7.070 -1.339 -10.310 1.00 12.43 N ATOM 268 CA VAL A 18 6.783 -2.690 -10.744 1.00 73.42 C ATOM 269 C VAL A 18 6.575 -3.582 -9.523 1.00 55.44 C ATOM 270 O VAL A 18 5.597 -4.331 -9.472 1.00 51.44 O ATOM 271 CB VAL A 18 7.944 -3.219 -11.621 1.00 23.22 C ATOM 272 CG1 VAL A 18 7.574 -4.547 -12.295 1.00 32.12 C ATOM 273 CG2 VAL A 18 8.405 -2.205 -12.680 1.00 44.32 C ATOM 0 H VAL A 18 7.979 -1.003 -10.630 1.00 12.43 H new ATOM 0 HA VAL A 18 5.872 -2.698 -11.342 1.00 73.42 H new ATOM 0 HB VAL A 18 8.780 -3.384 -10.941 1.00 23.22 H new ATOM 0 HG11 VAL A 18 8.410 -4.892 -12.903 1.00 32.12 H new ATOM 0 HG12 VAL A 18 7.349 -5.292 -11.532 1.00 32.12 H new ATOM 0 HG13 VAL A 18 6.699 -4.402 -12.929 1.00 32.12 H new ATOM 0 HG21 VAL A 18 9.220 -2.633 -13.263 1.00 44.32 H new ATOM 0 HG22 VAL A 18 7.572 -1.966 -13.342 1.00 44.32 H new ATOM 0 HG23 VAL A 18 8.750 -1.296 -12.187 1.00 44.32 H new ATOM 283 N GLU A 19 7.494 -3.509 -8.556 1.00 11.20 N ATOM 284 CA GLU A 19 7.439 -4.298 -7.333 1.00 72.53 C ATOM 285 C GLU A 19 6.292 -3.828 -6.444 1.00 63.15 C ATOM 286 O GLU A 19 5.728 -4.619 -5.688 1.00 62.50 O ATOM 287 CB GLU A 19 8.799 -4.236 -6.628 1.00 14.44 C ATOM 288 CG GLU A 19 9.763 -5.230 -7.291 1.00 73.40 C ATOM 289 CD GLU A 19 9.663 -6.614 -6.650 1.00 62.11 C ATOM 290 OE1 GLU A 19 8.636 -7.301 -6.867 1.00 51.23 O ATOM 291 OE2 GLU A 19 10.632 -7.019 -5.969 1.00 33.52 O ATOM 0 H GLU A 19 8.304 -2.892 -8.606 1.00 11.20 H new ATOM 0 HA GLU A 19 7.236 -5.342 -7.571 1.00 72.53 H new ATOM 0 HB2 GLU A 19 9.205 -3.226 -6.685 1.00 14.44 H new ATOM 0 HB3 GLU A 19 8.684 -4.474 -5.571 1.00 14.44 H new ATOM 0 HG2 GLU A 19 9.538 -5.303 -8.355 1.00 73.40 H new ATOM 0 HG3 GLU A 19 10.785 -4.861 -7.206 1.00 73.40 H new ATOM 298 N LEU A 20 5.935 -2.548 -6.525 1.00 14.13 N ATOM 299 CA LEU A 20 4.843 -1.975 -5.758 1.00 1.10 C ATOM 300 C LEU A 20 3.542 -2.553 -6.287 1.00 21.31 C ATOM 301 O LEU A 20 2.727 -3.045 -5.503 1.00 25.31 O ATOM 302 CB LEU A 20 4.883 -0.441 -5.870 1.00 21.45 C ATOM 303 CG LEU A 20 5.191 0.241 -4.536 1.00 33.32 C ATOM 304 CD1 LEU A 20 6.564 -0.157 -4.003 1.00 74.21 C ATOM 305 CD2 LEU A 20 5.233 1.750 -4.739 1.00 24.24 C ATOM 0 H LEU A 20 6.404 -1.876 -7.133 1.00 14.13 H new ATOM 0 HA LEU A 20 4.931 -2.222 -4.700 1.00 1.10 H new ATOM 0 HB2 LEU A 20 5.637 -0.154 -6.603 1.00 21.45 H new ATOM 0 HB3 LEU A 20 3.924 -0.083 -6.243 1.00 21.45 H new ATOM 0 HG LEU A 20 4.414 -0.063 -3.834 1.00 33.32 H new ATOM 0 HD11 LEU A 20 6.746 0.348 -3.054 1.00 74.21 H new ATOM 0 HD12 LEU A 20 6.597 -1.236 -3.852 1.00 74.21 H new ATOM 0 HD13 LEU A 20 7.331 0.133 -4.721 1.00 74.21 H new ATOM 0 HD21 LEU A 20 5.452 2.239 -3.790 1.00 24.24 H new ATOM 0 HD22 LEU A 20 6.009 1.998 -5.463 1.00 24.24 H new ATOM 0 HD23 LEU A 20 4.268 2.094 -5.110 1.00 24.24 H new ATOM 317 N GLN A 21 3.333 -2.492 -7.604 1.00 45.32 N ATOM 318 CA GLN A 21 2.137 -3.022 -8.233 1.00 61.32 C ATOM 319 C GLN A 21 2.052 -4.510 -7.903 1.00 30.10 C ATOM 320 O GLN A 21 1.010 -4.963 -7.455 1.00 72.44 O ATOM 321 CB GLN A 21 2.193 -2.756 -9.745 1.00 20.23 C ATOM 322 CG GLN A 21 1.871 -1.294 -10.097 1.00 40.50 C ATOM 323 CD GLN A 21 0.370 -1.022 -10.215 1.00 73.20 C ATOM 324 OE1 GLN A 21 -0.454 -1.629 -9.535 1.00 3.01 O ATOM 325 NE2 GLN A 21 -0.034 -0.106 -11.079 1.00 53.44 N ATOM 0 H GLN A 21 3.993 -2.072 -8.259 1.00 45.32 H new ATOM 0 HA GLN A 21 1.237 -2.534 -7.859 1.00 61.32 H new ATOM 0 HB2 GLN A 21 3.186 -3.006 -10.118 1.00 20.23 H new ATOM 0 HB3 GLN A 21 1.487 -3.413 -10.253 1.00 20.23 H new ATOM 0 HG2 GLN A 21 2.294 -0.641 -9.333 1.00 40.50 H new ATOM 0 HG3 GLN A 21 2.356 -1.038 -11.039 1.00 40.50 H new ATOM 0 HE21 GLN A 21 0.649 0.399 -11.644 1.00 53.44 H new ATOM 0 HE22 GLN A 21 -1.029 0.096 -11.180 1.00 53.44 H new ATOM 334 N ASN A 22 3.166 -5.237 -8.029 1.00 24.41 N ATOM 335 CA ASN A 22 3.279 -6.668 -7.765 1.00 14.31 C ATOM 336 C ASN A 22 2.841 -7.068 -6.354 1.00 62.12 C ATOM 337 O ASN A 22 2.080 -8.022 -6.211 1.00 63.10 O ATOM 338 CB ASN A 22 4.742 -7.088 -7.997 1.00 21.22 C ATOM 339 CG ASN A 22 5.053 -8.500 -7.516 1.00 51.23 C ATOM 340 OD1 ASN A 22 4.324 -9.436 -7.829 1.00 14.11 O ATOM 341 ND2 ASN A 22 6.148 -8.697 -6.801 1.00 72.43 N ATOM 0 H ASN A 22 4.049 -4.824 -8.331 1.00 24.41 H new ATOM 0 HA ASN A 22 2.602 -7.183 -8.446 1.00 14.31 H new ATOM 0 HB2 ASN A 22 4.968 -7.017 -9.061 1.00 21.22 H new ATOM 0 HB3 ASN A 22 5.399 -6.385 -7.485 1.00 21.22 H new ATOM 0 HD21 ASN A 22 6.398 -9.639 -6.501 1.00 72.43 H new ATOM 0 HD22 ASN A 22 6.742 -7.907 -6.550 1.00 72.43 H new ATOM 348 N HIS A 23 3.297 -6.381 -5.307 1.00 34.33 N ATOM 349 CA HIS A 23 2.932 -6.722 -3.929 1.00 74.32 C ATOM 350 C HIS A 23 1.433 -6.540 -3.686 1.00 41.43 C ATOM 351 O HIS A 23 0.711 -7.463 -3.300 1.00 74.43 O ATOM 352 CB HIS A 23 3.745 -5.857 -2.949 1.00 15.05 C ATOM 353 CG HIS A 23 4.507 -6.656 -1.933 1.00 13.23 C ATOM 354 ND1 HIS A 23 5.521 -7.558 -2.234 1.00 1.34 N ATOM 355 CD2 HIS A 23 4.377 -6.553 -0.581 1.00 22.32 C ATOM 356 CE1 HIS A 23 5.977 -7.996 -1.051 1.00 22.54 C ATOM 357 NE2 HIS A 23 5.311 -7.407 -0.038 1.00 21.15 N ATOM 0 H HIS A 23 3.924 -5.580 -5.386 1.00 34.33 H new ATOM 0 HA HIS A 23 3.166 -7.774 -3.763 1.00 74.32 H new ATOM 0 HB2 HIS A 23 4.445 -5.242 -3.515 1.00 15.05 H new ATOM 0 HB3 HIS A 23 3.069 -5.176 -2.431 1.00 15.05 H new ATOM 0 HD2 HIS A 23 3.681 -5.927 -0.043 1.00 22.32 H new ATOM 0 HE1 HIS A 23 6.768 -8.720 -0.927 1.00 22.54 H new ATOM 0 HE2 HIS A 23 5.471 -7.566 0.957 1.00 21.15 H new ATOM 365 N PHE A 24 0.954 -5.328 -3.949 1.00 15.21 N ATOM 366 CA PHE A 24 -0.429 -4.906 -3.763 1.00 43.21 C ATOM 367 C PHE A 24 -1.375 -5.342 -4.874 1.00 75.34 C ATOM 368 O PHE A 24 -2.558 -5.008 -4.843 1.00 2.31 O ATOM 369 CB PHE A 24 -0.405 -3.413 -3.437 1.00 13.23 C ATOM 370 CG PHE A 24 0.417 -3.126 -2.182 1.00 72.21 C ATOM 371 CD1 PHE A 24 -0.101 -3.411 -0.903 1.00 13.34 C ATOM 372 CD2 PHE A 24 1.714 -2.590 -2.288 1.00 1.41 C ATOM 373 CE1 PHE A 24 0.659 -3.144 0.251 1.00 73.13 C ATOM 374 CE2 PHE A 24 2.465 -2.296 -1.138 1.00 41.31 C ATOM 375 CZ PHE A 24 1.944 -2.589 0.134 1.00 3.23 C ATOM 0 H PHE A 24 1.546 -4.581 -4.313 1.00 15.21 H new ATOM 0 HA PHE A 24 -0.878 -5.431 -2.920 1.00 43.21 H new ATOM 0 HB2 PHE A 24 0.012 -2.862 -4.280 1.00 13.23 H new ATOM 0 HB3 PHE A 24 -1.424 -3.054 -3.295 1.00 13.23 H new ATOM 0 HD1 PHE A 24 -1.089 -3.838 -0.808 1.00 13.34 H new ATOM 0 HD2 PHE A 24 2.136 -2.403 -3.264 1.00 1.41 H new ATOM 0 HE1 PHE A 24 0.254 -3.366 1.227 1.00 73.13 H new ATOM 0 HE2 PHE A 24 3.442 -1.845 -1.231 1.00 41.31 H new ATOM 0 HZ PHE A 24 2.530 -2.388 1.019 1.00 3.23 H new ATOM 385 N LYS A 25 -0.926 -6.191 -5.800 1.00 63.10 N ATOM 386 CA LYS A 25 -1.735 -6.689 -6.894 1.00 4.35 C ATOM 387 C LYS A 25 -2.998 -7.359 -6.360 1.00 65.31 C ATOM 388 O LYS A 25 -4.071 -7.145 -6.918 1.00 33.24 O ATOM 389 CB LYS A 25 -0.853 -7.583 -7.783 1.00 13.13 C ATOM 390 CG LYS A 25 -0.725 -9.065 -7.409 1.00 3.22 C ATOM 391 CD LYS A 25 0.257 -9.729 -8.382 1.00 53.21 C ATOM 392 CE LYS A 25 0.539 -11.182 -7.998 1.00 12.44 C ATOM 393 NZ LYS A 25 1.551 -11.792 -8.882 1.00 54.01 N ATOM 0 H LYS A 25 0.028 -6.553 -5.803 1.00 63.10 H new ATOM 0 HA LYS A 25 -2.099 -5.879 -7.526 1.00 4.35 H new ATOM 0 HB2 LYS A 25 -1.239 -7.527 -8.801 1.00 13.13 H new ATOM 0 HB3 LYS A 25 0.149 -7.154 -7.798 1.00 13.13 H new ATOM 0 HG2 LYS A 25 -0.370 -9.168 -6.384 1.00 3.22 H new ATOM 0 HG3 LYS A 25 -1.698 -9.554 -7.460 1.00 3.22 H new ATOM 0 HD2 LYS A 25 -0.151 -9.692 -9.392 1.00 53.21 H new ATOM 0 HD3 LYS A 25 1.192 -9.168 -8.395 1.00 53.21 H new ATOM 0 HE2 LYS A 25 0.884 -11.225 -6.965 1.00 12.44 H new ATOM 0 HE3 LYS A 25 -0.385 -11.758 -8.050 1.00 12.44 H new ATOM 0 HZ1 LYS A 25 1.717 -12.777 -8.592 1.00 54.01 H new ATOM 0 HZ2 LYS A 25 1.210 -11.773 -9.864 1.00 54.01 H new ATOM 0 HZ3 LYS A 25 2.440 -11.257 -8.813 1.00 54.01 H new ATOM 407 N ASN A 26 -2.895 -8.113 -5.258 1.00 43.42 N ATOM 408 CA ASN A 26 -4.028 -8.809 -4.652 1.00 35.25 C ATOM 409 C ASN A 26 -4.919 -7.882 -3.802 1.00 61.54 C ATOM 410 O ASN A 26 -6.044 -8.253 -3.459 1.00 72.44 O ATOM 411 CB ASN A 26 -3.516 -10.005 -3.831 1.00 42.42 C ATOM 412 CG ASN A 26 -4.510 -11.159 -3.836 1.00 31.12 C ATOM 413 OD1 ASN A 26 -4.240 -12.193 -4.439 1.00 62.05 O ATOM 414 ND2 ASN A 26 -5.667 -11.010 -3.221 1.00 65.42 N ATOM 0 H ASN A 26 -2.015 -8.256 -4.762 1.00 43.42 H new ATOM 0 HA ASN A 26 -4.666 -9.170 -5.459 1.00 35.25 H new ATOM 0 HB2 ASN A 26 -2.563 -10.344 -4.237 1.00 42.42 H new ATOM 0 HB3 ASN A 26 -3.331 -9.689 -2.804 1.00 42.42 H new ATOM 0 HD21 ASN A 26 -6.356 -11.762 -3.241 1.00 65.42 H new ATOM 0 HD22 ASN A 26 -5.873 -10.143 -2.725 1.00 65.42 H new ATOM 421 N SER A 27 -4.450 -6.687 -3.436 1.00 73.23 N ATOM 422 CA SER A 27 -5.212 -5.716 -2.647 1.00 30.34 C ATOM 423 C SER A 27 -5.775 -4.596 -3.537 1.00 44.21 C ATOM 424 O SER A 27 -6.493 -3.741 -3.038 1.00 63.31 O ATOM 425 CB SER A 27 -4.386 -5.217 -1.456 1.00 54.23 C ATOM 426 OG SER A 27 -3.088 -4.848 -1.859 1.00 14.23 O ATOM 0 H SER A 27 -3.515 -6.362 -3.683 1.00 73.23 H new ATOM 0 HA SER A 27 -6.085 -6.209 -2.218 1.00 30.34 H new ATOM 0 HB2 SER A 27 -4.884 -4.363 -0.996 1.00 54.23 H new ATOM 0 HB3 SER A 27 -4.327 -5.998 -0.698 1.00 54.23 H new ATOM 0 HG SER A 27 -2.430 -5.274 -1.271 1.00 14.23 H new ATOM 432 N SER A 28 -5.494 -4.619 -4.844 1.00 4.33 N ATOM 433 CA SER A 28 -5.955 -3.685 -5.872 1.00 44.31 C ATOM 434 C SER A 28 -6.045 -2.210 -5.423 1.00 22.21 C ATOM 435 O SER A 28 -7.133 -1.720 -5.097 1.00 43.13 O ATOM 436 CB SER A 28 -7.302 -4.211 -6.389 1.00 71.15 C ATOM 437 OG SER A 28 -7.732 -3.520 -7.548 1.00 60.42 O ATOM 0 H SER A 28 -4.895 -5.344 -5.238 1.00 4.33 H new ATOM 0 HA SER A 28 -5.207 -3.654 -6.664 1.00 44.31 H new ATOM 0 HB2 SER A 28 -7.214 -5.274 -6.612 1.00 71.15 H new ATOM 0 HB3 SER A 28 -8.055 -4.111 -5.607 1.00 71.15 H new ATOM 0 HG SER A 28 -8.591 -3.885 -7.846 1.00 60.42 H new ATOM 443 N PRO A 29 -4.919 -1.480 -5.383 1.00 0.25 N ATOM 444 CA PRO A 29 -4.933 -0.075 -4.994 1.00 64.04 C ATOM 445 C PRO A 29 -5.565 0.761 -6.110 1.00 23.52 C ATOM 446 O PRO A 29 -5.599 0.369 -7.278 1.00 61.31 O ATOM 447 CB PRO A 29 -3.466 0.299 -4.791 1.00 52.11 C ATOM 448 CG PRO A 29 -2.741 -0.630 -5.765 1.00 61.43 C ATOM 449 CD PRO A 29 -3.571 -1.910 -5.736 1.00 34.22 C ATOM 0 HA PRO A 29 -5.516 0.106 -4.091 1.00 64.04 H new ATOM 0 HB2 PRO A 29 -3.281 1.349 -5.020 1.00 52.11 H new ATOM 0 HB3 PRO A 29 -3.146 0.136 -3.762 1.00 52.11 H new ATOM 0 HG2 PRO A 29 -2.698 -0.204 -6.767 1.00 61.43 H new ATOM 0 HG3 PRO A 29 -1.713 -0.813 -5.453 1.00 61.43 H new ATOM 0 HD2 PRO A 29 -3.558 -2.411 -6.704 1.00 34.22 H new ATOM 0 HD3 PRO A 29 -3.179 -2.618 -5.006 1.00 34.22 H new ATOM 457 N ASP A 30 -6.082 1.924 -5.747 1.00 52.04 N ATOM 458 CA ASP A 30 -6.702 2.871 -6.656 1.00 10.15 C ATOM 459 C ASP A 30 -5.578 3.710 -7.252 1.00 11.35 C ATOM 460 O ASP A 30 -5.479 3.855 -8.474 1.00 13.44 O ATOM 461 CB ASP A 30 -7.697 3.764 -5.908 1.00 72.23 C ATOM 462 CG ASP A 30 -8.176 4.891 -6.817 1.00 11.24 C ATOM 463 OD1 ASP A 30 -8.542 4.611 -7.982 1.00 5.00 O ATOM 464 OD2 ASP A 30 -8.129 6.061 -6.385 1.00 74.43 O ATOM 0 H ASP A 30 -6.081 2.244 -4.779 1.00 52.04 H new ATOM 0 HA ASP A 30 -7.258 2.352 -7.437 1.00 10.15 H new ATOM 0 HB2 ASP A 30 -8.548 3.171 -5.571 1.00 72.23 H new ATOM 0 HB3 ASP A 30 -7.226 4.180 -5.017 1.00 72.23 H new ATOM 469 N GLN A 31 -4.697 4.233 -6.392 1.00 72.53 N ATOM 470 CA GLN A 31 -3.553 5.046 -6.785 1.00 52.43 C ATOM 471 C GLN A 31 -2.313 4.623 -5.993 1.00 31.53 C ATOM 472 O GLN A 31 -2.434 4.091 -4.888 1.00 34.20 O ATOM 473 CB GLN A 31 -3.902 6.544 -6.697 1.00 0.31 C ATOM 474 CG GLN A 31 -2.810 7.539 -7.128 1.00 41.02 C ATOM 475 CD GLN A 31 -2.418 7.436 -8.598 1.00 13.11 C ATOM 476 OE1 GLN A 31 -2.163 6.347 -9.115 1.00 64.35 O ATOM 477 NE2 GLN A 31 -2.352 8.547 -9.302 1.00 52.43 N ATOM 0 H GLN A 31 -4.766 4.097 -5.383 1.00 72.53 H new ATOM 0 HA GLN A 31 -3.303 4.875 -7.832 1.00 52.43 H new ATOM 0 HB2 GLN A 31 -4.785 6.723 -7.310 1.00 0.31 H new ATOM 0 HB3 GLN A 31 -4.178 6.768 -5.667 1.00 0.31 H new ATOM 0 HG2 GLN A 31 -3.157 8.552 -6.926 1.00 41.02 H new ATOM 0 HG3 GLN A 31 -1.924 7.377 -6.515 1.00 41.02 H new ATOM 0 HE21 GLN A 31 -2.565 9.443 -8.863 1.00 52.43 H new ATOM 0 HE22 GLN A 31 -2.087 8.512 -10.286 1.00 52.43 H new ATOM 486 N ILE A 32 -1.126 4.861 -6.561 1.00 32.02 N ATOM 487 CA ILE A 32 0.180 4.510 -6.015 1.00 24.42 C ATOM 488 C ILE A 32 1.148 5.691 -6.195 1.00 5.40 C ATOM 489 O ILE A 32 1.196 6.286 -7.276 1.00 71.23 O ATOM 490 CB ILE A 32 0.681 3.257 -6.787 1.00 42.34 C ATOM 491 CG1 ILE A 32 -0.262 2.038 -6.624 1.00 52.30 C ATOM 492 CG2 ILE A 32 2.102 2.829 -6.380 1.00 54.12 C ATOM 493 CD1 ILE A 32 -0.004 0.956 -7.672 1.00 74.33 C ATOM 0 H ILE A 32 -1.052 5.330 -7.464 1.00 32.02 H new ATOM 0 HA ILE A 32 0.119 4.291 -4.949 1.00 24.42 H new ATOM 0 HB ILE A 32 0.690 3.569 -7.831 1.00 42.34 H new ATOM 0 HG12 ILE A 32 -0.133 1.613 -5.628 1.00 52.30 H new ATOM 0 HG13 ILE A 32 -1.297 2.371 -6.697 1.00 52.30 H new ATOM 0 HG21 ILE A 32 2.395 1.949 -6.953 1.00 54.12 H new ATOM 0 HG22 ILE A 32 2.799 3.643 -6.582 1.00 54.12 H new ATOM 0 HG23 ILE A 32 2.120 2.591 -5.316 1.00 54.12 H new ATOM 0 HD11 ILE A 32 -0.691 0.125 -7.513 1.00 74.33 H new ATOM 0 HD12 ILE A 32 -0.159 1.370 -8.668 1.00 74.33 H new ATOM 0 HD13 ILE A 32 1.023 0.601 -7.583 1.00 74.33 H new ATOM 505 N ARG A 33 1.890 6.056 -5.142 1.00 42.41 N ATOM 506 CA ARG A 33 2.886 7.124 -5.091 1.00 11.04 C ATOM 507 C ARG A 33 4.059 6.685 -4.221 1.00 13.31 C ATOM 508 O ARG A 33 3.878 6.619 -3.007 1.00 14.53 O ATOM 509 CB ARG A 33 2.252 8.398 -4.520 1.00 44.13 C ATOM 510 CG ARG A 33 3.276 9.533 -4.418 1.00 32.41 C ATOM 511 CD ARG A 33 2.641 10.900 -4.666 1.00 52.11 C ATOM 512 NE ARG A 33 1.745 11.330 -3.578 1.00 63.34 N ATOM 513 CZ ARG A 33 0.712 12.169 -3.721 1.00 41.20 C ATOM 514 NH1 ARG A 33 0.218 12.466 -4.918 1.00 12.00 N ATOM 515 NH2 ARG A 33 0.190 12.743 -2.649 1.00 3.42 N ATOM 0 H ARG A 33 1.802 5.579 -4.245 1.00 42.41 H new ATOM 0 HA ARG A 33 3.247 7.332 -6.098 1.00 11.04 H new ATOM 0 HB2 ARG A 33 1.423 8.710 -5.155 1.00 44.13 H new ATOM 0 HB3 ARG A 33 1.838 8.190 -3.534 1.00 44.13 H new ATOM 0 HG2 ARG A 33 3.734 9.520 -3.429 1.00 32.41 H new ATOM 0 HG3 ARG A 33 4.074 9.367 -5.141 1.00 32.41 H new ATOM 0 HD2 ARG A 33 3.429 11.642 -4.793 1.00 52.11 H new ATOM 0 HD3 ARG A 33 2.079 10.868 -5.600 1.00 52.11 H new ATOM 0 HE ARG A 33 1.926 10.960 -2.645 1.00 63.34 H new ATOM 0 HH11 ARG A 33 0.627 12.051 -5.756 1.00 12.00 H new ATOM 0 HH12 ARG A 33 -0.570 13.109 -4.999 1.00 12.00 H new ATOM 0 HH21 ARG A 33 0.575 12.544 -1.726 1.00 3.42 H new ATOM 0 HH22 ARG A 33 -0.597 13.384 -2.746 1.00 3.42 H new ATOM 529 N LEU A 34 5.227 6.385 -4.791 1.00 54.23 N ATOM 530 CA LEU A 34 6.420 5.977 -4.045 1.00 63.13 C ATOM 531 C LEU A 34 7.285 7.216 -3.843 1.00 51.25 C ATOM 532 O LEU A 34 7.666 7.875 -4.813 1.00 32.44 O ATOM 533 CB LEU A 34 7.162 4.871 -4.816 1.00 50.41 C ATOM 534 CG LEU A 34 8.438 4.248 -4.192 1.00 1.21 C ATOM 535 CD1 LEU A 34 9.667 5.006 -4.699 1.00 22.53 C ATOM 536 CD2 LEU A 34 8.460 4.249 -2.665 1.00 32.03 C ATOM 0 H LEU A 34 5.374 6.419 -5.800 1.00 54.23 H new ATOM 0 HA LEU A 34 6.159 5.564 -3.071 1.00 63.13 H new ATOM 0 HB2 LEU A 34 6.454 4.062 -4.994 1.00 50.41 H new ATOM 0 HB3 LEU A 34 7.436 5.276 -5.790 1.00 50.41 H new ATOM 0 HG LEU A 34 8.444 3.203 -4.502 1.00 1.21 H new ATOM 0 HD11 LEU A 34 10.567 4.572 -4.264 1.00 22.53 H new ATOM 0 HD12 LEU A 34 9.718 4.932 -5.785 1.00 22.53 H new ATOM 0 HD13 LEU A 34 9.593 6.054 -4.410 1.00 22.53 H new ATOM 0 HD21 LEU A 34 9.387 3.796 -2.314 1.00 32.03 H new ATOM 0 HD22 LEU A 34 8.397 5.274 -2.301 1.00 32.03 H new ATOM 0 HD23 LEU A 34 7.612 3.678 -2.289 1.00 32.03 H new ATOM 548 N ARG A 35 7.591 7.559 -2.595 1.00 32.50 N ATOM 549 CA ARG A 35 8.408 8.697 -2.197 1.00 33.23 C ATOM 550 C ARG A 35 9.711 8.131 -1.651 1.00 41.44 C ATOM 551 O ARG A 35 9.857 7.895 -0.448 1.00 70.34 O ATOM 552 CB ARG A 35 7.622 9.528 -1.175 1.00 65.34 C ATOM 553 CG ARG A 35 6.450 10.270 -1.837 1.00 33.33 C ATOM 554 CD ARG A 35 6.891 11.652 -2.336 1.00 64.13 C ATOM 555 NE ARG A 35 5.777 12.427 -2.902 1.00 73.22 N ATOM 556 CZ ARG A 35 4.754 12.971 -2.231 1.00 75.32 C ATOM 557 NH1 ARG A 35 4.579 12.763 -0.932 1.00 22.41 N ATOM 558 NH2 ARG A 35 3.880 13.707 -2.900 1.00 71.41 N ATOM 0 H ARG A 35 7.258 7.022 -1.794 1.00 32.50 H new ATOM 0 HA ARG A 35 8.646 9.368 -3.022 1.00 33.23 H new ATOM 0 HB2 ARG A 35 7.244 8.876 -0.388 1.00 65.34 H new ATOM 0 HB3 ARG A 35 8.288 10.248 -0.700 1.00 65.34 H new ATOM 0 HG2 ARG A 35 6.067 9.683 -2.671 1.00 33.33 H new ATOM 0 HG3 ARG A 35 5.634 10.380 -1.123 1.00 33.33 H new ATOM 0 HD2 ARG A 35 7.334 12.209 -1.510 1.00 64.13 H new ATOM 0 HD3 ARG A 35 7.667 11.531 -3.092 1.00 64.13 H new ATOM 0 HE ARG A 35 5.784 12.565 -3.913 1.00 73.22 H new ATOM 0 HH11 ARG A 35 5.234 12.175 -0.417 1.00 22.41 H new ATOM 0 HH12 ARG A 35 3.790 13.192 -0.449 1.00 22.41 H new ATOM 0 HH21 ARG A 35 3.995 13.849 -3.904 1.00 71.41 H new ATOM 0 HH22 ARG A 35 3.092 14.132 -2.412 1.00 71.41 H new ATOM 572 N ALA A 36 10.656 7.880 -2.560 1.00 70.14 N ATOM 573 CA ALA A 36 11.967 7.324 -2.241 1.00 71.43 C ATOM 574 C ALA A 36 12.715 8.159 -1.198 1.00 43.23 C ATOM 575 O ALA A 36 13.381 7.588 -0.336 1.00 11.53 O ATOM 576 CB ALA A 36 12.792 7.199 -3.522 1.00 0.14 C ATOM 0 H ALA A 36 10.526 8.062 -3.555 1.00 70.14 H new ATOM 0 HA ALA A 36 11.815 6.338 -1.803 1.00 71.43 H new ATOM 0 HB1 ALA A 36 13.772 6.784 -3.285 1.00 0.14 H new ATOM 0 HB2 ALA A 36 12.279 6.540 -4.223 1.00 0.14 H new ATOM 0 HB3 ALA A 36 12.915 8.184 -3.973 1.00 0.14 H new ATOM 582 N ASP A 37 12.509 9.481 -1.202 1.00 42.24 N ATOM 583 CA ASP A 37 13.141 10.443 -0.288 1.00 52.10 C ATOM 584 C ASP A 37 12.891 10.125 1.194 1.00 54.34 C ATOM 585 O ASP A 37 13.597 10.633 2.065 1.00 52.01 O ATOM 586 CB ASP A 37 12.657 11.867 -0.586 1.00 32.52 C ATOM 587 CG ASP A 37 12.921 12.323 -2.014 1.00 4.13 C ATOM 588 OD1 ASP A 37 14.075 12.266 -2.500 1.00 12.55 O ATOM 589 OD2 ASP A 37 11.946 12.766 -2.664 1.00 53.42 O ATOM 0 H ASP A 37 11.875 9.928 -1.865 1.00 42.24 H new ATOM 0 HA ASP A 37 14.214 10.364 -0.463 1.00 52.10 H new ATOM 0 HB2 ASP A 37 11.587 11.925 -0.389 1.00 32.52 H new ATOM 0 HB3 ASP A 37 13.146 12.557 0.101 1.00 32.52 H new ATOM 594 N LYS A 38 11.871 9.317 1.501 1.00 4.44 N ATOM 595 CA LYS A 38 11.519 8.881 2.853 1.00 62.10 C ATOM 596 C LYS A 38 11.291 7.364 2.888 1.00 51.32 C ATOM 597 O LYS A 38 11.054 6.807 3.964 1.00 71.44 O ATOM 598 CB LYS A 38 10.331 9.688 3.392 1.00 34.42 C ATOM 599 CG LYS A 38 10.702 11.062 3.965 1.00 13.34 C ATOM 600 CD LYS A 38 11.352 10.950 5.357 1.00 54.24 C ATOM 601 CE LYS A 38 11.703 12.303 5.987 1.00 14.51 C ATOM 602 NZ LYS A 38 10.522 13.143 6.291 1.00 50.21 N ATOM 0 H LYS A 38 11.247 8.936 0.789 1.00 4.44 H new ATOM 0 HA LYS A 38 12.353 9.082 3.525 1.00 62.10 H new ATOM 0 HB2 LYS A 38 9.608 9.827 2.588 1.00 34.42 H new ATOM 0 HB3 LYS A 38 9.836 9.106 4.169 1.00 34.42 H new ATOM 0 HG2 LYS A 38 11.388 11.566 3.284 1.00 13.34 H new ATOM 0 HG3 LYS A 38 9.807 11.681 4.031 1.00 13.34 H new ATOM 0 HD2 LYS A 38 10.674 10.415 6.022 1.00 54.24 H new ATOM 0 HD3 LYS A 38 12.259 10.351 5.277 1.00 54.24 H new ATOM 0 HE2 LYS A 38 12.262 12.131 6.907 1.00 14.51 H new ATOM 0 HE3 LYS A 38 12.361 12.849 5.311 1.00 14.51 H new ATOM 0 HZ1 LYS A 38 10.834 14.041 6.714 1.00 50.21 H new ATOM 0 HZ2 LYS A 38 9.999 13.337 5.413 1.00 50.21 H new ATOM 0 HZ3 LYS A 38 9.903 12.642 6.960 1.00 50.21 H new ATOM 616 N GLY A 39 11.405 6.669 1.751 1.00 30.31 N ATOM 617 CA GLY A 39 11.227 5.229 1.642 1.00 40.30 C ATOM 618 C GLY A 39 9.817 4.825 2.037 1.00 72.11 C ATOM 619 O GLY A 39 9.652 3.810 2.706 1.00 25.20 O ATOM 0 H GLY A 39 11.630 7.111 0.860 1.00 30.31 H new ATOM 0 HA2 GLY A 39 11.428 4.910 0.619 1.00 40.30 H new ATOM 0 HA3 GLY A 39 11.948 4.720 2.282 1.00 40.30 H new ATOM 623 N ILE A 40 8.820 5.624 1.660 1.00 72.11 N ATOM 624 CA ILE A 40 7.413 5.403 1.952 1.00 34.44 C ATOM 625 C ILE A 40 6.602 5.475 0.670 1.00 51.14 C ATOM 626 O ILE A 40 7.075 5.991 -0.345 1.00 33.41 O ATOM 627 CB ILE A 40 6.873 6.413 2.997 1.00 32.15 C ATOM 628 CG1 ILE A 40 7.460 7.811 2.772 1.00 65.33 C ATOM 629 CG2 ILE A 40 7.170 5.947 4.429 1.00 2.42 C ATOM 630 CD1 ILE A 40 6.676 8.962 3.413 1.00 62.22 C ATOM 0 H ILE A 40 8.981 6.475 1.122 1.00 72.11 H new ATOM 0 HA ILE A 40 7.313 4.408 2.386 1.00 34.44 H new ATOM 0 HB ILE A 40 5.792 6.463 2.866 1.00 32.15 H new ATOM 0 HG12 ILE A 40 8.478 7.826 3.161 1.00 65.33 H new ATOM 0 HG13 ILE A 40 7.525 7.991 1.699 1.00 65.33 H new ATOM 0 HG21 ILE A 40 6.779 6.677 5.138 1.00 2.42 H new ATOM 0 HG22 ILE A 40 6.695 4.981 4.603 1.00 2.42 H new ATOM 0 HG23 ILE A 40 8.247 5.851 4.564 1.00 2.42 H new ATOM 0 HD11 ILE A 40 7.174 9.907 3.195 1.00 62.22 H new ATOM 0 HD12 ILE A 40 5.664 8.983 3.008 1.00 62.22 H new ATOM 0 HD13 ILE A 40 6.632 8.816 4.492 1.00 62.22 H new ATOM 642 N ALA A 41 5.378 4.965 0.723 1.00 55.34 N ATOM 643 CA ALA A 41 4.443 4.940 -0.375 1.00 40.44 C ATOM 644 C ALA A 41 3.042 5.260 0.146 1.00 12.15 C ATOM 645 O ALA A 41 2.756 5.066 1.333 1.00 71.51 O ATOM 646 CB ALA A 41 4.510 3.569 -1.051 1.00 62.45 C ATOM 0 H ALA A 41 5.002 4.542 1.572 1.00 55.34 H new ATOM 0 HA ALA A 41 4.696 5.695 -1.120 1.00 40.44 H new ATOM 0 HB1 ALA A 41 3.807 3.539 -1.883 1.00 62.45 H new ATOM 0 HB2 ALA A 41 5.520 3.396 -1.423 1.00 62.45 H new ATOM 0 HB3 ALA A 41 4.251 2.794 -0.329 1.00 62.45 H new ATOM 652 N PHE A 42 2.177 5.770 -0.730 1.00 62.11 N ATOM 653 CA PHE A 42 0.793 6.124 -0.427 1.00 14.24 C ATOM 654 C PHE A 42 -0.066 5.331 -1.390 1.00 10.30 C ATOM 655 O PHE A 42 -0.085 5.622 -2.590 1.00 0.22 O ATOM 656 CB PHE A 42 0.537 7.630 -0.599 1.00 12.14 C ATOM 657 CG PHE A 42 1.253 8.508 0.403 1.00 10.42 C ATOM 658 CD1 PHE A 42 0.642 8.816 1.634 1.00 52.14 C ATOM 659 CD2 PHE A 42 2.518 9.045 0.094 1.00 71.13 C ATOM 660 CE1 PHE A 42 1.274 9.689 2.535 1.00 30.25 C ATOM 661 CE2 PHE A 42 3.158 9.903 1.005 1.00 15.42 C ATOM 662 CZ PHE A 42 2.529 10.236 2.218 1.00 55.14 C ATOM 0 H PHE A 42 2.430 5.954 -1.701 1.00 62.11 H new ATOM 0 HA PHE A 42 0.560 5.892 0.612 1.00 14.24 H new ATOM 0 HB2 PHE A 42 0.841 7.925 -1.603 1.00 12.14 H new ATOM 0 HB3 PHE A 42 -0.535 7.814 -0.524 1.00 12.14 H new ATOM 0 HD1 PHE A 42 -0.314 8.380 1.886 1.00 52.14 H new ATOM 0 HD2 PHE A 42 2.996 8.798 -0.842 1.00 71.13 H new ATOM 0 HE1 PHE A 42 0.796 9.940 3.470 1.00 30.25 H new ATOM 0 HE2 PHE A 42 4.133 10.306 0.774 1.00 15.42 H new ATOM 0 HZ PHE A 42 3.011 10.913 2.907 1.00 55.14 H new ATOM 672 N LEU A 43 -0.700 4.276 -0.891 1.00 11.51 N ATOM 673 CA LEU A 43 -1.569 3.424 -1.689 1.00 41.31 C ATOM 674 C LEU A 43 -2.971 3.825 -1.309 1.00 14.44 C ATOM 675 O LEU A 43 -3.357 3.664 -0.155 1.00 5.33 O ATOM 676 CB LEU A 43 -1.327 1.938 -1.428 1.00 2.03 C ATOM 677 CG LEU A 43 -0.066 1.445 -2.153 1.00 12.13 C ATOM 678 CD1 LEU A 43 1.177 1.508 -1.260 1.00 51.30 C ATOM 679 CD2 LEU A 43 -0.270 0.014 -2.616 1.00 50.13 C ATOM 0 H LEU A 43 -0.624 3.987 0.084 1.00 11.51 H new ATOM 0 HA LEU A 43 -1.377 3.557 -2.754 1.00 41.31 H new ATOM 0 HB2 LEU A 43 -1.224 1.766 -0.357 1.00 2.03 H new ATOM 0 HB3 LEU A 43 -2.190 1.362 -1.762 1.00 2.03 H new ATOM 0 HG LEU A 43 0.098 2.105 -3.005 1.00 12.13 H new ATOM 0 HD11 LEU A 43 2.043 1.149 -1.816 1.00 51.30 H new ATOM 0 HD12 LEU A 43 1.348 2.538 -0.946 1.00 51.30 H new ATOM 0 HD13 LEU A 43 1.026 0.882 -0.381 1.00 51.30 H new ATOM 0 HD21 LEU A 43 0.626 -0.333 -3.130 1.00 50.13 H new ATOM 0 HD22 LEU A 43 -0.464 -0.623 -1.753 1.00 50.13 H new ATOM 0 HD23 LEU A 43 -1.119 -0.030 -3.298 1.00 50.13 H new ATOM 691 N GLU A 44 -3.680 4.438 -2.240 1.00 31.45 N ATOM 692 CA GLU A 44 -5.038 4.907 -2.037 1.00 13.15 C ATOM 693 C GLU A 44 -6.016 3.813 -2.429 1.00 55.15 C ATOM 694 O GLU A 44 -5.677 2.943 -3.231 1.00 62.24 O ATOM 695 CB GLU A 44 -5.243 6.142 -2.903 1.00 75.20 C ATOM 696 CG GLU A 44 -4.339 7.299 -2.448 1.00 41.10 C ATOM 697 CD GLU A 44 -4.202 8.376 -3.510 1.00 44.21 C ATOM 698 OE1 GLU A 44 -5.151 8.571 -4.303 1.00 31.02 O ATOM 699 OE2 GLU A 44 -3.139 9.033 -3.519 1.00 22.42 O ATOM 0 H GLU A 44 -3.321 4.627 -3.176 1.00 31.45 H new ATOM 0 HA GLU A 44 -5.208 5.158 -0.990 1.00 13.15 H new ATOM 0 HB2 GLU A 44 -5.030 5.899 -3.944 1.00 75.20 H new ATOM 0 HB3 GLU A 44 -6.287 6.453 -2.856 1.00 75.20 H new ATOM 0 HG2 GLU A 44 -4.747 7.739 -1.538 1.00 41.10 H new ATOM 0 HG3 GLU A 44 -3.352 6.910 -2.199 1.00 41.10 H new ATOM 706 N PHE A 45 -7.236 3.880 -1.903 1.00 24.22 N ATOM 707 CA PHE A 45 -8.311 2.936 -2.141 1.00 61.44 C ATOM 708 C PHE A 45 -9.614 3.719 -2.117 1.00 72.13 C ATOM 709 O PHE A 45 -9.799 4.568 -1.240 1.00 32.31 O ATOM 710 CB PHE A 45 -8.356 1.878 -1.021 1.00 21.34 C ATOM 711 CG PHE A 45 -7.110 1.024 -0.866 1.00 5.30 C ATOM 712 CD1 PHE A 45 -5.920 1.565 -0.334 1.00 62.22 C ATOM 713 CD2 PHE A 45 -7.157 -0.342 -1.193 1.00 53.03 C ATOM 714 CE1 PHE A 45 -4.782 0.759 -0.171 1.00 62.11 C ATOM 715 CE2 PHE A 45 -6.037 -1.158 -0.964 1.00 40.54 C ATOM 716 CZ PHE A 45 -4.848 -0.611 -0.454 1.00 2.25 C ATOM 0 H PHE A 45 -7.509 4.632 -1.270 1.00 24.22 H new ATOM 0 HA PHE A 45 -8.158 2.431 -3.095 1.00 61.44 H new ATOM 0 HB2 PHE A 45 -8.545 2.386 -0.075 1.00 21.34 H new ATOM 0 HB3 PHE A 45 -9.205 1.219 -1.204 1.00 21.34 H new ATOM 0 HD1 PHE A 45 -5.884 2.606 -0.050 1.00 62.22 H new ATOM 0 HD2 PHE A 45 -8.054 -0.764 -1.620 1.00 53.03 H new ATOM 0 HE1 PHE A 45 -3.856 1.195 0.173 1.00 62.11 H new ATOM 0 HE2 PHE A 45 -6.090 -2.214 -1.182 1.00 40.54 H new ATOM 0 HZ PHE A 45 -3.990 -1.243 -0.281 1.00 2.25 H new ATOM 726 N ASP A 46 -10.491 3.495 -3.090 1.00 50.30 N ATOM 727 CA ASP A 46 -11.797 4.144 -3.158 1.00 62.14 C ATOM 728 C ASP A 46 -12.790 3.090 -2.661 1.00 5.13 C ATOM 729 O ASP A 46 -12.806 1.959 -3.157 1.00 52.04 O ATOM 730 CB ASP A 46 -12.136 4.659 -4.561 1.00 15.33 C ATOM 731 CG ASP A 46 -13.626 5.010 -4.679 1.00 10.25 C ATOM 732 OD1 ASP A 46 -14.246 5.384 -3.659 1.00 21.05 O ATOM 733 OD2 ASP A 46 -14.184 4.836 -5.786 1.00 30.04 O ATOM 0 H ASP A 46 -10.314 2.852 -3.861 1.00 50.30 H new ATOM 0 HA ASP A 46 -11.825 5.044 -2.543 1.00 62.14 H new ATOM 0 HB2 ASP A 46 -11.534 5.540 -4.783 1.00 15.33 H new ATOM 0 HB3 ASP A 46 -11.878 3.902 -5.301 1.00 15.33 H new ATOM 738 N ALA A 47 -13.542 3.426 -1.617 1.00 63.21 N ATOM 739 CA ALA A 47 -14.533 2.578 -0.982 1.00 53.03 C ATOM 740 C ALA A 47 -15.747 2.388 -1.873 1.00 30.32 C ATOM 741 O ALA A 47 -16.500 1.434 -1.679 1.00 11.10 O ATOM 742 CB ALA A 47 -14.977 3.194 0.349 1.00 53.32 C ATOM 0 H ALA A 47 -13.470 4.342 -1.173 1.00 63.21 H new ATOM 0 HA ALA A 47 -14.074 1.605 -0.806 1.00 53.03 H new ATOM 0 HB1 ALA A 47 -15.721 2.550 0.818 1.00 53.32 H new ATOM 0 HB2 ALA A 47 -14.115 3.294 1.009 1.00 53.32 H new ATOM 0 HB3 ALA A 47 -15.411 4.177 0.168 1.00 53.32 H new ATOM 748 N ASP A 48 -15.992 3.309 -2.799 1.00 3.42 N ATOM 749 CA ASP A 48 -17.119 3.232 -3.711 1.00 63.34 C ATOM 750 C ASP A 48 -16.763 2.341 -4.907 1.00 4.33 C ATOM 751 O ASP A 48 -17.649 1.820 -5.587 1.00 22.51 O ATOM 752 CB ASP A 48 -17.535 4.648 -4.125 1.00 22.02 C ATOM 753 CG ASP A 48 -19.046 4.762 -4.301 1.00 4.21 C ATOM 754 OD1 ASP A 48 -19.709 3.792 -4.740 1.00 61.53 O ATOM 755 OD2 ASP A 48 -19.596 5.834 -3.958 1.00 65.55 O ATOM 0 H ASP A 48 -15.408 4.134 -2.936 1.00 3.42 H new ATOM 0 HA ASP A 48 -17.976 2.772 -3.220 1.00 63.34 H new ATOM 0 HB2 ASP A 48 -17.201 5.361 -3.371 1.00 22.02 H new ATOM 0 HB3 ASP A 48 -17.039 4.915 -5.058 1.00 22.02 H new ATOM 760 N LYS A 49 -15.462 2.110 -5.147 1.00 42.31 N ATOM 761 CA LYS A 49 -14.980 1.269 -6.242 1.00 73.41 C ATOM 762 C LYS A 49 -15.318 -0.197 -6.006 1.00 15.25 C ATOM 763 O LYS A 49 -15.261 -0.971 -6.963 1.00 63.34 O ATOM 764 CB LYS A 49 -13.466 1.455 -6.464 1.00 0.44 C ATOM 765 CG LYS A 49 -13.230 2.134 -7.814 1.00 45.15 C ATOM 766 CD LYS A 49 -11.760 2.416 -8.142 1.00 32.35 C ATOM 767 CE LYS A 49 -11.741 3.310 -9.387 1.00 12.01 C ATOM 768 NZ LYS A 49 -10.380 3.719 -9.778 1.00 32.11 N ATOM 0 H LYS A 49 -14.714 2.507 -4.579 1.00 42.31 H new ATOM 0 HA LYS A 49 -15.494 1.588 -7.149 1.00 73.41 H new ATOM 0 HB2 LYS A 49 -13.041 2.058 -5.662 1.00 0.44 H new ATOM 0 HB3 LYS A 49 -12.962 0.489 -6.437 1.00 0.44 H new ATOM 0 HG2 LYS A 49 -13.649 1.505 -8.600 1.00 45.15 H new ATOM 0 HG3 LYS A 49 -13.779 3.075 -7.833 1.00 45.15 H new ATOM 0 HD2 LYS A 49 -11.266 2.910 -7.305 1.00 32.35 H new ATOM 0 HD3 LYS A 49 -11.221 1.487 -8.327 1.00 32.35 H new ATOM 0 HE2 LYS A 49 -12.208 2.779 -10.217 1.00 12.01 H new ATOM 0 HE3 LYS A 49 -12.342 4.199 -9.199 1.00 12.01 H new ATOM 0 HZ1 LYS A 49 -10.424 4.618 -10.299 1.00 32.11 H new ATOM 0 HZ2 LYS A 49 -9.796 3.840 -8.926 1.00 32.11 H new ATOM 0 HZ3 LYS A 49 -9.959 2.988 -10.386 1.00 32.11 H new ATOM 782 N ASP A 50 -15.613 -0.587 -4.767 1.00 10.45 N ATOM 783 CA ASP A 50 -15.990 -1.934 -4.364 1.00 5.23 C ATOM 784 C ASP A 50 -16.510 -1.832 -2.929 1.00 44.13 C ATOM 785 O ASP A 50 -15.766 -2.017 -1.962 1.00 44.10 O ATOM 786 CB ASP A 50 -14.841 -2.944 -4.496 1.00 21.40 C ATOM 787 CG ASP A 50 -15.347 -4.380 -4.328 1.00 54.10 C ATOM 788 OD1 ASP A 50 -16.476 -4.591 -3.824 1.00 71.03 O ATOM 789 OD2 ASP A 50 -14.577 -5.305 -4.664 1.00 72.21 O ATOM 0 H ASP A 50 -15.594 0.063 -3.981 1.00 10.45 H new ATOM 0 HA ASP A 50 -16.762 -2.321 -5.029 1.00 5.23 H new ATOM 0 HB2 ASP A 50 -14.366 -2.834 -5.471 1.00 21.40 H new ATOM 0 HB3 ASP A 50 -14.079 -2.733 -3.745 1.00 21.40 H new ATOM 794 N ARG A 51 -17.798 -1.505 -2.792 1.00 54.43 N ATOM 795 CA ARG A 51 -18.508 -1.332 -1.523 1.00 74.34 C ATOM 796 C ARG A 51 -18.274 -2.465 -0.532 1.00 25.50 C ATOM 797 O ARG A 51 -18.254 -2.191 0.670 1.00 22.11 O ATOM 798 CB ARG A 51 -20.023 -1.175 -1.784 1.00 74.22 C ATOM 799 CG ARG A 51 -20.668 0.024 -1.076 1.00 23.51 C ATOM 800 CD ARG A 51 -20.760 -0.078 0.451 1.00 54.12 C ATOM 801 NE ARG A 51 -21.608 1.002 0.996 1.00 74.45 N ATOM 802 CZ ARG A 51 -22.498 0.927 1.996 1.00 2.34 C ATOM 803 NH1 ARG A 51 -22.830 -0.242 2.529 1.00 43.12 N ATOM 804 NH2 ARG A 51 -23.060 2.037 2.459 1.00 33.54 N ATOM 0 H ARG A 51 -18.401 -1.347 -3.599 1.00 54.43 H new ATOM 0 HA ARG A 51 -18.102 -0.429 -1.066 1.00 74.34 H new ATOM 0 HB2 ARG A 51 -20.186 -1.078 -2.857 1.00 74.22 H new ATOM 0 HB3 ARG A 51 -20.530 -2.086 -1.465 1.00 74.22 H new ATOM 0 HG2 ARG A 51 -20.101 0.920 -1.329 1.00 23.51 H new ATOM 0 HG3 ARG A 51 -21.674 0.160 -1.474 1.00 23.51 H new ATOM 0 HD2 ARG A 51 -21.172 -1.047 0.732 1.00 54.12 H new ATOM 0 HD3 ARG A 51 -19.762 -0.018 0.885 1.00 54.12 H new ATOM 0 HE ARG A 51 -21.504 1.917 0.558 1.00 74.45 H new ATOM 0 HH11 ARG A 51 -22.406 -1.101 2.178 1.00 43.12 H new ATOM 0 HH12 ARG A 51 -23.509 -0.281 3.289 1.00 43.12 H new ATOM 0 HH21 ARG A 51 -22.814 2.940 2.054 1.00 33.54 H new ATOM 0 HH22 ARG A 51 -23.738 1.987 3.220 1.00 33.54 H new ATOM 818 N THR A 52 -18.085 -3.706 -0.993 1.00 11.42 N ATOM 819 CA THR A 52 -17.869 -4.835 -0.101 1.00 64.34 C ATOM 820 C THR A 52 -16.424 -5.336 -0.118 1.00 21.30 C ATOM 821 O THR A 52 -15.972 -5.899 0.885 1.00 3.42 O ATOM 822 CB THR A 52 -18.871 -5.951 -0.472 1.00 45.21 C ATOM 823 OG1 THR A 52 -18.667 -6.488 -1.767 1.00 54.34 O ATOM 824 CG2 THR A 52 -20.312 -5.433 -0.425 1.00 60.33 C ATOM 0 H THR A 52 -18.078 -3.948 -1.984 1.00 11.42 H new ATOM 0 HA THR A 52 -18.044 -4.510 0.925 1.00 64.34 H new ATOM 0 HB THR A 52 -18.701 -6.734 0.267 1.00 45.21 H new ATOM 0 HG1 THR A 52 -19.330 -7.188 -1.939 1.00 54.34 H new ATOM 0 HG21 THR A 52 -20.997 -6.238 -0.690 1.00 60.33 H new ATOM 0 HG22 THR A 52 -20.539 -5.080 0.581 1.00 60.33 H new ATOM 0 HG23 THR A 52 -20.427 -4.612 -1.132 1.00 60.33 H new ATOM 832 N GLY A 53 -15.648 -5.030 -1.159 1.00 23.31 N ATOM 833 CA GLY A 53 -14.270 -5.471 -1.290 1.00 24.31 C ATOM 834 C GLY A 53 -13.250 -4.532 -0.682 1.00 61.31 C ATOM 835 O GLY A 53 -12.139 -4.988 -0.420 1.00 11.32 O ATOM 0 H GLY A 53 -15.969 -4.461 -1.942 1.00 23.31 H new ATOM 0 HA2 GLY A 53 -14.169 -6.450 -0.821 1.00 24.31 H new ATOM 0 HA3 GLY A 53 -14.042 -5.599 -2.348 1.00 24.31 H new ATOM 839 N ILE A 54 -13.591 -3.266 -0.418 1.00 2.02 N ATOM 840 CA ILE A 54 -12.691 -2.283 0.203 1.00 14.44 C ATOM 841 C ILE A 54 -12.085 -2.891 1.483 1.00 34.34 C ATOM 842 O ILE A 54 -10.909 -2.716 1.785 1.00 34.04 O ATOM 843 CB ILE A 54 -13.478 -0.971 0.466 1.00 61.32 C ATOM 844 CG1 ILE A 54 -12.647 0.122 1.177 1.00 11.21 C ATOM 845 CG2 ILE A 54 -14.766 -1.213 1.290 1.00 22.03 C ATOM 846 CD1 ILE A 54 -11.475 0.711 0.395 1.00 24.24 C ATOM 0 H ILE A 54 -14.514 -2.888 -0.632 1.00 2.02 H new ATOM 0 HA ILE A 54 -11.861 -2.034 -0.458 1.00 14.44 H new ATOM 0 HB ILE A 54 -13.735 -0.614 -0.531 1.00 61.32 H new ATOM 0 HG12 ILE A 54 -13.318 0.937 1.449 1.00 11.21 H new ATOM 0 HG13 ILE A 54 -12.260 -0.296 2.106 1.00 11.21 H new ATOM 0 HG21 ILE A 54 -15.281 -0.265 1.447 1.00 22.03 H new ATOM 0 HG22 ILE A 54 -15.421 -1.896 0.749 1.00 22.03 H new ATOM 0 HG23 ILE A 54 -14.504 -1.648 2.255 1.00 22.03 H new ATOM 0 HD11 ILE A 54 -10.975 1.465 1.003 1.00 24.24 H new ATOM 0 HD12 ILE A 54 -10.769 -0.081 0.146 1.00 24.24 H new ATOM 0 HD13 ILE A 54 -11.844 1.170 -0.522 1.00 24.24 H new ATOM 858 N GLN A 55 -12.902 -3.672 2.191 1.00 62.50 N ATOM 859 CA GLN A 55 -12.613 -4.383 3.416 1.00 3.21 C ATOM 860 C GLN A 55 -11.484 -5.401 3.198 1.00 42.34 C ATOM 861 O GLN A 55 -10.412 -5.286 3.786 1.00 3.11 O ATOM 862 CB GLN A 55 -13.957 -5.023 3.806 1.00 71.25 C ATOM 863 CG GLN A 55 -13.933 -5.970 4.993 1.00 60.23 C ATOM 864 CD GLN A 55 -13.294 -5.326 6.208 1.00 63.20 C ATOM 865 OE1 GLN A 55 -13.937 -4.609 6.971 1.00 13.51 O ATOM 866 NE2 GLN A 55 -12.003 -5.515 6.372 1.00 74.00 N ATOM 0 H GLN A 55 -13.863 -3.830 1.887 1.00 62.50 H new ATOM 0 HA GLN A 55 -12.244 -3.743 4.218 1.00 3.21 H new ATOM 0 HB2 GLN A 55 -14.667 -4.224 4.020 1.00 71.25 H new ATOM 0 HB3 GLN A 55 -14.340 -5.567 2.942 1.00 71.25 H new ATOM 0 HG2 GLN A 55 -14.951 -6.276 5.236 1.00 60.23 H new ATOM 0 HG3 GLN A 55 -13.383 -6.873 4.728 1.00 60.23 H new ATOM 0 HE21 GLN A 55 -11.489 -6.115 5.726 1.00 74.00 H new ATOM 0 HE22 GLN A 55 -11.515 -5.062 7.145 1.00 74.00 H new ATOM 875 N ARG A 56 -11.689 -6.385 2.319 1.00 75.41 N ATOM 876 CA ARG A 56 -10.680 -7.407 2.017 1.00 32.32 C ATOM 877 C ARG A 56 -9.428 -6.743 1.449 1.00 71.04 C ATOM 878 O ARG A 56 -8.325 -7.215 1.706 1.00 21.02 O ATOM 879 CB ARG A 56 -11.223 -8.459 1.032 1.00 31.02 C ATOM 880 CG ARG A 56 -12.375 -9.310 1.590 1.00 0.32 C ATOM 881 CD ARG A 56 -11.929 -10.381 2.596 1.00 31.13 C ATOM 882 NE ARG A 56 -13.097 -11.031 3.216 1.00 41.14 N ATOM 883 CZ ARG A 56 -13.120 -12.201 3.868 1.00 71.14 C ATOM 884 NH1 ARG A 56 -12.028 -12.945 4.014 1.00 43.51 N ATOM 885 NH2 ARG A 56 -14.264 -12.643 4.372 1.00 51.15 N ATOM 0 H ARG A 56 -12.558 -6.497 1.796 1.00 75.41 H new ATOM 0 HA ARG A 56 -10.427 -7.922 2.944 1.00 32.32 H new ATOM 0 HB2 ARG A 56 -11.565 -7.953 0.129 1.00 31.02 H new ATOM 0 HB3 ARG A 56 -10.408 -9.120 0.738 1.00 31.02 H new ATOM 0 HG2 ARG A 56 -13.099 -8.652 2.072 1.00 0.32 H new ATOM 0 HG3 ARG A 56 -12.889 -9.796 0.761 1.00 0.32 H new ATOM 0 HD2 ARG A 56 -11.316 -11.128 2.092 1.00 31.13 H new ATOM 0 HD3 ARG A 56 -11.307 -9.926 3.367 1.00 31.13 H new ATOM 0 HE ARG A 56 -13.986 -10.536 3.140 1.00 41.14 H new ATOM 0 HH11 ARG A 56 -11.140 -12.629 3.624 1.00 43.51 H new ATOM 0 HH12 ARG A 56 -12.078 -13.831 4.516 1.00 43.51 H new ATOM 0 HH21 ARG A 56 -15.116 -12.093 4.262 1.00 51.15 H new ATOM 0 HH22 ARG A 56 -14.292 -13.533 4.870 1.00 51.15 H new ATOM 899 N ARG A 57 -9.571 -5.671 0.663 1.00 72.43 N ATOM 900 CA ARG A 57 -8.436 -4.953 0.094 1.00 62.40 C ATOM 901 C ARG A 57 -7.587 -4.418 1.247 1.00 42.13 C ATOM 902 O ARG A 57 -6.376 -4.642 1.240 1.00 75.12 O ATOM 903 CB ARG A 57 -8.919 -3.829 -0.829 1.00 32.13 C ATOM 904 CG ARG A 57 -9.462 -4.326 -2.176 1.00 73.15 C ATOM 905 CD ARG A 57 -10.010 -3.118 -2.946 1.00 64.14 C ATOM 906 NE ARG A 57 -10.266 -3.372 -4.372 1.00 13.00 N ATOM 907 CZ ARG A 57 -11.246 -4.114 -4.896 1.00 44.12 C ATOM 908 NH1 ARG A 57 -11.955 -4.934 -4.132 1.00 63.03 N ATOM 909 NH2 ARG A 57 -11.512 -4.020 -6.192 1.00 45.13 N ATOM 0 H ARG A 57 -10.478 -5.280 0.406 1.00 72.43 H new ATOM 0 HA ARG A 57 -7.829 -5.620 -0.518 1.00 62.40 H new ATOM 0 HB2 ARG A 57 -9.699 -3.263 -0.320 1.00 32.13 H new ATOM 0 HB3 ARG A 57 -8.093 -3.141 -1.012 1.00 32.13 H new ATOM 0 HG2 ARG A 57 -8.673 -4.815 -2.747 1.00 73.15 H new ATOM 0 HG3 ARG A 57 -10.247 -5.066 -2.020 1.00 73.15 H new ATOM 0 HD2 ARG A 57 -10.938 -2.793 -2.475 1.00 64.14 H new ATOM 0 HD3 ARG A 57 -9.302 -2.294 -2.858 1.00 64.14 H new ATOM 0 HE ARG A 57 -9.625 -2.934 -5.033 1.00 13.00 H new ATOM 0 HH11 ARG A 57 -11.754 -5.003 -3.134 1.00 63.03 H new ATOM 0 HH12 ARG A 57 -12.701 -5.496 -4.542 1.00 63.03 H new ATOM 0 HH21 ARG A 57 -10.970 -3.386 -6.779 1.00 45.13 H new ATOM 0 HH22 ARG A 57 -12.258 -4.582 -6.602 1.00 45.13 H new ATOM 923 N MET A 58 -8.213 -3.755 2.224 1.00 34.01 N ATOM 924 CA MET A 58 -7.557 -3.203 3.404 1.00 42.24 C ATOM 925 C MET A 58 -6.833 -4.310 4.160 1.00 22.33 C ATOM 926 O MET A 58 -5.640 -4.204 4.429 1.00 54.44 O ATOM 927 CB MET A 58 -8.589 -2.531 4.334 1.00 3.51 C ATOM 928 CG MET A 58 -8.548 -1.022 4.174 1.00 34.11 C ATOM 929 SD MET A 58 -9.455 -0.083 5.420 1.00 21.12 S ATOM 930 CE MET A 58 -10.583 0.761 4.301 1.00 20.40 C ATOM 0 H MET A 58 -9.219 -3.585 2.212 1.00 34.01 H new ATOM 0 HA MET A 58 -6.836 -2.453 3.079 1.00 42.24 H new ATOM 0 HB2 MET A 58 -9.589 -2.900 4.104 1.00 3.51 H new ATOM 0 HB3 MET A 58 -8.381 -2.798 5.370 1.00 3.51 H new ATOM 0 HG2 MET A 58 -7.507 -0.701 4.189 1.00 34.11 H new ATOM 0 HG3 MET A 58 -8.946 -0.767 3.192 1.00 34.11 H new ATOM 0 HE1 MET A 58 -11.293 1.353 4.878 1.00 20.40 H new ATOM 0 HE2 MET A 58 -10.017 1.417 3.640 1.00 20.40 H new ATOM 0 HE3 MET A 58 -11.123 0.025 3.706 1.00 20.40 H new ATOM 940 N ASP A 59 -7.534 -5.407 4.439 1.00 62.05 N ATOM 941 CA ASP A 59 -7.006 -6.557 5.167 1.00 72.13 C ATOM 942 C ASP A 59 -5.766 -7.134 4.491 1.00 32.35 C ATOM 943 O ASP A 59 -4.789 -7.464 5.159 1.00 74.20 O ATOM 944 CB ASP A 59 -8.059 -7.663 5.236 1.00 54.44 C ATOM 945 CG ASP A 59 -9.308 -7.316 6.043 1.00 13.50 C ATOM 946 OD1 ASP A 59 -9.269 -6.393 6.890 1.00 74.13 O ATOM 947 OD2 ASP A 59 -10.351 -7.968 5.796 1.00 63.41 O ATOM 0 H ASP A 59 -8.508 -5.523 4.158 1.00 62.05 H new ATOM 0 HA ASP A 59 -6.741 -6.208 6.165 1.00 72.13 H new ATOM 0 HB2 ASP A 59 -8.361 -7.920 4.221 1.00 54.44 H new ATOM 0 HB3 ASP A 59 -7.601 -8.553 5.668 1.00 54.44 H new ATOM 952 N ILE A 60 -5.793 -7.289 3.168 1.00 73.11 N ATOM 953 CA ILE A 60 -4.675 -7.833 2.405 1.00 14.32 C ATOM 954 C ILE A 60 -3.530 -6.818 2.409 1.00 44.20 C ATOM 955 O ILE A 60 -2.365 -7.225 2.420 1.00 45.14 O ATOM 956 CB ILE A 60 -5.166 -8.259 1.007 1.00 64.21 C ATOM 957 CG1 ILE A 60 -6.118 -9.469 1.158 1.00 4.20 C ATOM 958 CG2 ILE A 60 -4.014 -8.661 0.065 1.00 65.21 C ATOM 959 CD1 ILE A 60 -7.007 -9.697 -0.063 1.00 54.33 C ATOM 0 H ILE A 60 -6.598 -7.038 2.593 1.00 73.11 H new ATOM 0 HA ILE A 60 -4.274 -8.739 2.859 1.00 14.32 H new ATOM 0 HB ILE A 60 -5.671 -7.400 0.566 1.00 64.21 H new ATOM 0 HG12 ILE A 60 -5.527 -10.366 1.341 1.00 4.20 H new ATOM 0 HG13 ILE A 60 -6.748 -9.319 2.034 1.00 4.20 H new ATOM 0 HG21 ILE A 60 -4.421 -8.951 -0.904 1.00 65.21 H new ATOM 0 HG22 ILE A 60 -3.338 -7.816 -0.064 1.00 65.21 H new ATOM 0 HG23 ILE A 60 -3.468 -9.501 0.495 1.00 65.21 H new ATOM 0 HD11 ILE A 60 -7.649 -10.561 0.111 1.00 54.33 H new ATOM 0 HD12 ILE A 60 -7.624 -8.815 -0.234 1.00 54.33 H new ATOM 0 HD13 ILE A 60 -6.383 -9.879 -0.938 1.00 54.33 H new ATOM 971 N ALA A 61 -3.824 -5.514 2.393 1.00 51.43 N ATOM 972 CA ALA A 61 -2.790 -4.494 2.433 1.00 4.20 C ATOM 973 C ALA A 61 -2.102 -4.588 3.800 1.00 33.42 C ATOM 974 O ALA A 61 -0.874 -4.625 3.857 1.00 52.55 O ATOM 975 CB ALA A 61 -3.381 -3.103 2.179 1.00 61.13 C ATOM 0 H ALA A 61 -4.775 -5.147 2.352 1.00 51.43 H new ATOM 0 HA ALA A 61 -2.057 -4.657 1.643 1.00 4.20 H new ATOM 0 HB1 ALA A 61 -2.586 -2.358 2.214 1.00 61.13 H new ATOM 0 HB2 ALA A 61 -3.854 -3.082 1.197 1.00 61.13 H new ATOM 0 HB3 ALA A 61 -4.124 -2.878 2.944 1.00 61.13 H new ATOM 981 N LEU A 62 -2.881 -4.696 4.888 1.00 33.41 N ATOM 982 CA LEU A 62 -2.375 -4.805 6.259 1.00 11.24 C ATOM 983 C LEU A 62 -1.467 -6.022 6.420 1.00 54.04 C ATOM 984 O LEU A 62 -0.532 -5.986 7.219 1.00 62.23 O ATOM 985 CB LEU A 62 -3.534 -4.950 7.260 1.00 14.01 C ATOM 986 CG LEU A 62 -4.234 -3.645 7.671 1.00 62.23 C ATOM 987 CD1 LEU A 62 -5.429 -4.019 8.553 1.00 32.25 C ATOM 988 CD2 LEU A 62 -3.287 -2.707 8.434 1.00 25.02 C ATOM 0 H LEU A 62 -3.900 -4.710 4.835 1.00 33.41 H new ATOM 0 HA LEU A 62 -1.812 -3.893 6.459 1.00 11.24 H new ATOM 0 HB2 LEU A 62 -4.279 -5.619 6.829 1.00 14.01 H new ATOM 0 HB3 LEU A 62 -3.153 -5.434 8.159 1.00 14.01 H new ATOM 0 HG LEU A 62 -4.558 -3.110 6.778 1.00 62.23 H new ATOM 0 HD11 LEU A 62 -5.950 -3.113 8.863 1.00 32.25 H new ATOM 0 HD12 LEU A 62 -6.112 -4.655 7.990 1.00 32.25 H new ATOM 0 HD13 LEU A 62 -5.077 -4.555 9.434 1.00 32.25 H new ATOM 0 HD21 LEU A 62 -3.819 -1.796 8.707 1.00 25.02 H new ATOM 0 HD22 LEU A 62 -2.932 -3.204 9.337 1.00 25.02 H new ATOM 0 HD23 LEU A 62 -2.437 -2.454 7.801 1.00 25.02 H new ATOM 1000 N LEU A 63 -1.722 -7.109 5.686 1.00 50.01 N ATOM 1001 CA LEU A 63 -0.909 -8.318 5.761 1.00 14.11 C ATOM 1002 C LEU A 63 0.509 -8.097 5.229 1.00 51.24 C ATOM 1003 O LEU A 63 1.342 -8.983 5.406 1.00 54.05 O ATOM 1004 CB LEU A 63 -1.599 -9.486 5.032 1.00 53.53 C ATOM 1005 CG LEU A 63 -2.756 -10.122 5.823 1.00 32.24 C ATOM 1006 CD1 LEU A 63 -3.514 -11.111 4.931 1.00 72.12 C ATOM 1007 CD2 LEU A 63 -2.274 -10.851 7.084 1.00 43.22 C ATOM 0 H LEU A 63 -2.497 -7.172 5.026 1.00 50.01 H new ATOM 0 HA LEU A 63 -0.814 -8.578 6.815 1.00 14.11 H new ATOM 0 HB2 LEU A 63 -1.980 -9.129 4.075 1.00 53.53 H new ATOM 0 HB3 LEU A 63 -0.857 -10.254 4.814 1.00 53.53 H new ATOM 0 HG LEU A 63 -3.412 -9.310 6.138 1.00 32.24 H new ATOM 0 HD11 LEU A 63 -4.332 -11.558 5.496 1.00 72.12 H new ATOM 0 HD12 LEU A 63 -3.916 -10.585 4.065 1.00 72.12 H new ATOM 0 HD13 LEU A 63 -2.834 -11.894 4.596 1.00 72.12 H new ATOM 0 HD21 LEU A 63 -3.129 -11.281 7.605 1.00 43.22 H new ATOM 0 HD22 LEU A 63 -1.583 -11.646 6.803 1.00 43.22 H new ATOM 0 HD23 LEU A 63 -1.767 -10.145 7.741 1.00 43.22 H new ATOM 1019 N GLN A 64 0.825 -6.956 4.602 1.00 11.12 N ATOM 1020 CA GLN A 64 2.173 -6.718 4.094 1.00 64.11 C ATOM 1021 C GLN A 64 3.090 -6.126 5.182 1.00 41.04 C ATOM 1022 O GLN A 64 4.280 -5.922 4.917 1.00 72.24 O ATOM 1023 CB GLN A 64 2.165 -5.886 2.795 1.00 64.44 C ATOM 1024 CG GLN A 64 1.150 -6.348 1.739 1.00 41.50 C ATOM 1025 CD GLN A 64 1.175 -7.851 1.505 1.00 25.32 C ATOM 1026 OE1 GLN A 64 2.207 -8.423 1.177 1.00 32.45 O ATOM 1027 NE2 GLN A 64 0.037 -8.515 1.612 1.00 41.32 N ATOM 0 H GLN A 64 0.169 -6.193 4.438 1.00 11.12 H new ATOM 0 HA GLN A 64 2.597 -7.685 3.825 1.00 64.11 H new ATOM 0 HB2 GLN A 64 1.957 -4.846 3.048 1.00 64.44 H new ATOM 0 HB3 GLN A 64 3.162 -5.914 2.356 1.00 64.44 H new ATOM 0 HG2 GLN A 64 0.149 -6.052 2.052 1.00 41.50 H new ATOM 0 HG3 GLN A 64 1.355 -5.836 0.799 1.00 41.50 H new ATOM 0 HE21 GLN A 64 -0.815 -8.026 1.886 1.00 41.32 H new ATOM 0 HE22 GLN A 64 0.011 -9.517 1.420 1.00 41.32 H new ATOM 1036 N HIS A 65 2.575 -5.857 6.392 1.00 74.23 N ATOM 1037 CA HIS A 65 3.330 -5.311 7.516 1.00 52.42 C ATOM 1038 C HIS A 65 4.393 -6.330 7.910 1.00 64.33 C ATOM 1039 O HIS A 65 4.087 -7.423 8.395 1.00 72.53 O ATOM 1040 CB HIS A 65 2.387 -4.984 8.684 1.00 10.45 C ATOM 1041 CG HIS A 65 2.876 -3.967 9.688 1.00 70.13 C ATOM 1042 ND1 HIS A 65 4.057 -3.224 9.622 1.00 31.54 N ATOM 1043 CD2 HIS A 65 2.106 -3.471 10.697 1.00 75.30 C ATOM 1044 CE1 HIS A 65 3.964 -2.310 10.607 1.00 31.11 C ATOM 1045 NE2 HIS A 65 2.804 -2.435 11.268 1.00 50.24 N ATOM 0 H HIS A 65 1.593 -6.020 6.615 1.00 74.23 H new ATOM 0 HA HIS A 65 3.818 -4.377 7.236 1.00 52.42 H new ATOM 0 HB2 HIS A 65 1.444 -4.627 8.270 1.00 10.45 H new ATOM 0 HB3 HIS A 65 2.171 -5.910 9.216 1.00 10.45 H new ATOM 0 HD2 HIS A 65 1.130 -3.826 10.992 1.00 75.30 H new ATOM 0 HE1 HIS A 65 4.722 -1.575 10.834 1.00 31.11 H new ATOM 0 HE2 HIS A 65 2.495 -1.863 12.054 1.00 50.24 H new ATOM 1053 N GLY A 66 5.652 -5.976 7.684 1.00 42.42 N ATOM 1054 CA GLY A 66 6.811 -6.814 7.981 1.00 64.40 C ATOM 1055 C GLY A 66 7.282 -7.673 6.809 1.00 23.41 C ATOM 1056 O GLY A 66 8.087 -8.584 7.009 1.00 41.45 O ATOM 0 H GLY A 66 5.904 -5.075 7.278 1.00 42.42 H new ATOM 0 HA2 GLY A 66 7.634 -6.175 8.302 1.00 64.40 H new ATOM 0 HA3 GLY A 66 6.568 -7.466 8.820 1.00 64.40 H new ATOM 1060 N THR A 67 6.776 -7.462 5.593 1.00 3.15 N ATOM 1061 CA THR A 67 7.232 -8.260 4.460 1.00 1.11 C ATOM 1062 C THR A 67 8.628 -7.791 4.029 1.00 23.15 C ATOM 1063 O THR A 67 8.967 -6.607 4.136 1.00 35.23 O ATOM 1064 CB THR A 67 6.180 -8.300 3.339 1.00 63.21 C ATOM 1065 OG1 THR A 67 5.777 -7.021 2.902 1.00 65.03 O ATOM 1066 CG2 THR A 67 4.940 -9.080 3.784 1.00 32.34 C ATOM 0 H THR A 67 6.067 -6.762 5.372 1.00 3.15 H new ATOM 0 HA THR A 67 7.342 -9.304 4.754 1.00 1.11 H new ATOM 0 HB THR A 67 6.666 -8.800 2.501 1.00 63.21 H new ATOM 0 HG1 THR A 67 5.121 -6.652 3.530 1.00 65.03 H new ATOM 0 HG21 THR A 67 4.210 -9.095 2.975 1.00 32.34 H new ATOM 0 HG22 THR A 67 5.224 -10.102 4.036 1.00 32.34 H new ATOM 0 HG23 THR A 67 4.502 -8.599 4.659 1.00 32.34 H new ATOM 1074 N LEU A 68 9.485 -8.731 3.616 1.00 75.04 N ATOM 1075 CA LEU A 68 10.835 -8.430 3.159 1.00 0.33 C ATOM 1076 C LEU A 68 10.743 -8.146 1.673 1.00 65.51 C ATOM 1077 O LEU A 68 10.476 -9.048 0.883 1.00 42.10 O ATOM 1078 CB LEU A 68 11.821 -9.583 3.398 1.00 62.24 C ATOM 1079 CG LEU A 68 12.199 -9.850 4.863 1.00 51.52 C ATOM 1080 CD1 LEU A 68 13.290 -10.913 4.945 1.00 73.13 C ATOM 1081 CD2 LEU A 68 12.746 -8.599 5.549 1.00 64.35 C ATOM 0 H LEU A 68 9.255 -9.724 3.591 1.00 75.04 H new ATOM 0 HA LEU A 68 11.217 -7.579 3.724 1.00 0.33 H new ATOM 0 HB2 LEU A 68 11.392 -10.494 2.982 1.00 62.24 H new ATOM 0 HB3 LEU A 68 12.734 -9.376 2.839 1.00 62.24 H new ATOM 0 HG LEU A 68 11.286 -10.176 5.361 1.00 51.52 H new ATOM 0 HD11 LEU A 68 13.547 -11.091 5.989 1.00 73.13 H new ATOM 0 HD12 LEU A 68 12.930 -11.839 4.497 1.00 73.13 H new ATOM 0 HD13 LEU A 68 14.174 -10.569 4.407 1.00 73.13 H new ATOM 0 HD21 LEU A 68 13.001 -8.833 6.583 1.00 64.35 H new ATOM 0 HD22 LEU A 68 13.638 -8.257 5.024 1.00 64.35 H new ATOM 0 HD23 LEU A 68 11.990 -7.814 5.530 1.00 64.35 H new ATOM 1093 N LEU A 69 10.918 -6.890 1.294 1.00 22.42 N ATOM 1094 CA LEU A 69 10.882 -6.421 -0.082 1.00 71.24 C ATOM 1095 C LEU A 69 12.304 -6.040 -0.411 1.00 44.33 C ATOM 1096 O LEU A 69 12.856 -5.162 0.248 1.00 51.12 O ATOM 1097 CB LEU A 69 9.938 -5.219 -0.214 1.00 34.23 C ATOM 1098 CG LEU A 69 8.603 -5.666 -0.821 1.00 13.22 C ATOM 1099 CD1 LEU A 69 7.536 -4.639 -0.453 1.00 43.42 C ATOM 1100 CD2 LEU A 69 8.732 -5.800 -2.346 1.00 63.42 C ATOM 0 H LEU A 69 11.096 -6.140 1.962 1.00 22.42 H new ATOM 0 HA LEU A 69 10.507 -7.182 -0.766 1.00 71.24 H new ATOM 0 HB2 LEU A 69 9.770 -4.769 0.764 1.00 34.23 H new ATOM 0 HB3 LEU A 69 10.395 -4.454 -0.842 1.00 34.23 H new ATOM 0 HG LEU A 69 8.319 -6.641 -0.426 1.00 13.22 H new ATOM 0 HD11 LEU A 69 6.578 -4.941 -0.877 1.00 43.42 H new ATOM 0 HD12 LEU A 69 7.449 -4.577 0.632 1.00 43.42 H new ATOM 0 HD13 LEU A 69 7.817 -3.664 -0.850 1.00 43.42 H new ATOM 0 HD21 LEU A 69 7.777 -6.118 -2.765 1.00 63.42 H new ATOM 0 HD22 LEU A 69 9.013 -4.838 -2.773 1.00 63.42 H new ATOM 0 HD23 LEU A 69 9.497 -6.540 -2.583 1.00 63.42 H new ATOM 1112 N LYS A 70 12.895 -6.686 -1.416 1.00 23.51 N ATOM 1113 CA LYS A 70 14.277 -6.447 -1.834 1.00 72.43 C ATOM 1114 C LYS A 70 15.207 -6.395 -0.614 1.00 54.22 C ATOM 1115 O LYS A 70 15.977 -5.458 -0.422 1.00 5.22 O ATOM 1116 CB LYS A 70 14.403 -5.218 -2.742 1.00 35.33 C ATOM 1117 CG LYS A 70 13.355 -5.120 -3.845 1.00 24.51 C ATOM 1118 CD LYS A 70 13.809 -4.110 -4.902 1.00 74.11 C ATOM 1119 CE LYS A 70 12.553 -3.640 -5.618 1.00 13.33 C ATOM 1120 NZ LYS A 70 12.847 -3.088 -6.961 1.00 60.15 N ATOM 0 H LYS A 70 12.421 -7.399 -1.970 1.00 23.51 H new ATOM 0 HA LYS A 70 14.598 -7.290 -2.446 1.00 72.43 H new ATOM 0 HB2 LYS A 70 14.344 -4.322 -2.125 1.00 35.33 H new ATOM 0 HB3 LYS A 70 15.392 -5.224 -3.201 1.00 35.33 H new ATOM 0 HG2 LYS A 70 13.204 -6.097 -4.304 1.00 24.51 H new ATOM 0 HG3 LYS A 70 12.397 -4.814 -3.424 1.00 24.51 H new ATOM 0 HD2 LYS A 70 14.328 -3.271 -4.439 1.00 74.11 H new ATOM 0 HD3 LYS A 70 14.506 -4.569 -5.603 1.00 74.11 H new ATOM 0 HE2 LYS A 70 11.858 -4.474 -5.714 1.00 13.33 H new ATOM 0 HE3 LYS A 70 12.056 -2.880 -5.015 1.00 13.33 H new ATOM 0 HZ1 LYS A 70 11.956 -2.922 -7.471 1.00 60.15 H new ATOM 0 HZ2 LYS A 70 13.362 -2.190 -6.862 1.00 60.15 H new ATOM 0 HZ3 LYS A 70 13.430 -3.764 -7.494 1.00 60.15 H new ATOM 1134 N GLU A 71 15.080 -7.403 0.242 1.00 0.15 N ATOM 1135 CA GLU A 71 15.832 -7.604 1.481 1.00 62.12 C ATOM 1136 C GLU A 71 15.642 -6.534 2.580 1.00 70.11 C ATOM 1137 O GLU A 71 16.432 -6.479 3.531 1.00 3.34 O ATOM 1138 CB GLU A 71 17.324 -7.863 1.167 1.00 24.42 C ATOM 1139 CG GLU A 71 17.700 -9.242 1.710 1.00 12.43 C ATOM 1140 CD GLU A 71 19.195 -9.419 1.947 1.00 23.24 C ATOM 1141 OE1 GLU A 71 19.726 -8.861 2.939 1.00 62.52 O ATOM 1142 OE2 GLU A 71 19.810 -10.258 1.255 1.00 45.01 O ATOM 0 H GLU A 71 14.406 -8.151 0.081 1.00 0.15 H new ATOM 0 HA GLU A 71 15.392 -8.492 1.935 1.00 62.12 H new ATOM 0 HB2 GLU A 71 17.498 -7.818 0.092 1.00 24.42 H new ATOM 0 HB3 GLU A 71 17.947 -7.093 1.623 1.00 24.42 H new ATOM 0 HG2 GLU A 71 17.170 -9.411 2.647 1.00 12.43 H new ATOM 0 HG3 GLU A 71 17.359 -10.004 1.009 1.00 12.43 H new ATOM 1149 N LYS A 72 14.601 -5.701 2.506 1.00 72.31 N ATOM 1150 CA LYS A 72 14.296 -4.644 3.475 1.00 61.13 C ATOM 1151 C LYS A 72 12.925 -4.926 4.069 1.00 72.14 C ATOM 1152 O LYS A 72 11.967 -5.142 3.327 1.00 3.14 O ATOM 1153 CB LYS A 72 14.341 -3.278 2.771 1.00 43.32 C ATOM 1154 CG LYS A 72 15.782 -2.867 2.417 1.00 42.32 C ATOM 1155 CD LYS A 72 16.519 -2.197 3.581 1.00 71.34 C ATOM 1156 CE LYS A 72 16.004 -0.771 3.793 1.00 14.21 C ATOM 1157 NZ LYS A 72 16.710 -0.094 4.894 1.00 2.43 N ATOM 0 H LYS A 72 13.924 -5.745 1.744 1.00 72.31 H new ATOM 0 HA LYS A 72 15.030 -4.624 4.280 1.00 61.13 H new ATOM 0 HB2 LYS A 72 13.740 -3.317 1.862 1.00 43.32 H new ATOM 0 HB3 LYS A 72 13.895 -2.521 3.416 1.00 43.32 H new ATOM 0 HG2 LYS A 72 16.338 -3.750 2.103 1.00 42.32 H new ATOM 0 HG3 LYS A 72 15.760 -2.184 1.567 1.00 42.32 H new ATOM 0 HD2 LYS A 72 16.379 -2.780 4.491 1.00 71.34 H new ATOM 0 HD3 LYS A 72 17.590 -2.177 3.378 1.00 71.34 H new ATOM 0 HE2 LYS A 72 16.130 -0.199 2.874 1.00 14.21 H new ATOM 0 HE3 LYS A 72 14.936 -0.798 4.008 1.00 14.21 H new ATOM 0 HZ1 LYS A 72 16.334 0.869 5.007 1.00 2.43 H new ATOM 0 HZ2 LYS A 72 16.569 -0.627 5.776 1.00 2.43 H new ATOM 0 HZ3 LYS A 72 17.726 -0.046 4.677 1.00 2.43 H new ATOM 1171 N LYS A 73 12.823 -4.974 5.399 1.00 52.31 N ATOM 1172 CA LYS A 73 11.560 -5.252 6.071 1.00 73.01 C ATOM 1173 C LYS A 73 10.692 -4.002 6.105 1.00 12.23 C ATOM 1174 O LYS A 73 10.976 -3.061 6.849 1.00 12.21 O ATOM 1175 CB LYS A 73 11.816 -5.828 7.472 1.00 65.01 C ATOM 1176 CG LYS A 73 10.600 -6.637 7.954 1.00 61.34 C ATOM 1177 CD LYS A 73 10.951 -7.880 8.785 1.00 72.30 C ATOM 1178 CE LYS A 73 11.195 -7.602 10.268 1.00 1.24 C ATOM 1179 NZ LYS A 73 12.400 -6.790 10.535 1.00 73.31 N ATOM 0 H LYS A 73 13.608 -4.822 6.032 1.00 52.31 H new ATOM 0 HA LYS A 73 11.011 -6.008 5.510 1.00 73.01 H new ATOM 0 HB2 LYS A 73 12.700 -6.466 7.453 1.00 65.01 H new ATOM 0 HB3 LYS A 73 12.022 -5.018 8.172 1.00 65.01 H new ATOM 0 HG2 LYS A 73 9.960 -5.986 8.549 1.00 61.34 H new ATOM 0 HG3 LYS A 73 10.019 -6.948 7.086 1.00 61.34 H new ATOM 0 HD2 LYS A 73 10.142 -8.604 8.692 1.00 72.30 H new ATOM 0 HD3 LYS A 73 11.843 -8.343 8.363 1.00 72.30 H new ATOM 0 HE2 LYS A 73 10.325 -7.090 10.679 1.00 1.24 H new ATOM 0 HE3 LYS A 73 11.285 -8.552 10.796 1.00 1.24 H new ATOM 0 HZ1 LYS A 73 12.566 -6.743 11.560 1.00 73.31 H new ATOM 0 HZ2 LYS A 73 13.222 -7.226 10.071 1.00 73.31 H new ATOM 0 HZ3 LYS A 73 12.261 -5.829 10.162 1.00 73.31 H new ATOM 1193 N ILE A 74 9.643 -3.977 5.296 1.00 41.43 N ATOM 1194 CA ILE A 74 8.720 -2.853 5.209 1.00 52.51 C ATOM 1195 C ILE A 74 7.696 -2.872 6.347 1.00 70.34 C ATOM 1196 O ILE A 74 7.609 -3.836 7.108 1.00 11.21 O ATOM 1197 CB ILE A 74 8.049 -2.786 3.823 1.00 22.35 C ATOM 1198 CG1 ILE A 74 7.088 -3.963 3.534 1.00 63.31 C ATOM 1199 CG2 ILE A 74 9.112 -2.662 2.719 1.00 63.44 C ATOM 1200 CD1 ILE A 74 5.854 -3.506 2.751 1.00 5.03 C ATOM 0 H ILE A 74 9.405 -4.748 4.672 1.00 41.43 H new ATOM 0 HA ILE A 74 9.301 -1.939 5.328 1.00 52.51 H new ATOM 0 HB ILE A 74 7.425 -1.892 3.830 1.00 22.35 H new ATOM 0 HG12 ILE A 74 7.614 -4.732 2.968 1.00 63.31 H new ATOM 0 HG13 ILE A 74 6.775 -4.417 4.474 1.00 63.31 H new ATOM 0 HG21 ILE A 74 8.623 -2.616 1.746 1.00 63.44 H new ATOM 0 HG22 ILE A 74 9.695 -1.754 2.875 1.00 63.44 H new ATOM 0 HG23 ILE A 74 9.773 -3.528 2.752 1.00 63.44 H new ATOM 0 HD11 ILE A 74 5.203 -4.361 2.567 1.00 5.03 H new ATOM 0 HD12 ILE A 74 5.314 -2.756 3.329 1.00 5.03 H new ATOM 0 HD13 ILE A 74 6.166 -3.076 1.799 1.00 5.03 H new ATOM 1212 N ASN A 75 6.940 -1.789 6.487 1.00 12.41 N ATOM 1213 CA ASN A 75 5.881 -1.580 7.472 1.00 64.12 C ATOM 1214 C ASN A 75 4.622 -1.132 6.752 1.00 60.32 C ATOM 1215 O ASN A 75 4.728 -0.584 5.657 1.00 3.15 O ATOM 1216 CB ASN A 75 6.269 -0.505 8.504 1.00 31.44 C ATOM 1217 CG ASN A 75 6.619 0.856 7.920 1.00 4.33 C ATOM 1218 OD1 ASN A 75 7.788 1.212 7.829 1.00 31.53 O ATOM 1219 ND2 ASN A 75 5.647 1.663 7.528 1.00 2.10 N ATOM 0 H ASN A 75 7.057 -0.980 5.877 1.00 12.41 H new ATOM 0 HA ASN A 75 5.718 -2.519 8.000 1.00 64.12 H new ATOM 0 HB2 ASN A 75 5.443 -0.381 9.204 1.00 31.44 H new ATOM 0 HB3 ASN A 75 7.122 -0.866 9.079 1.00 31.44 H new ATOM 0 HD21 ASN A 75 5.870 2.583 7.149 1.00 2.10 H new ATOM 0 HD22 ASN A 75 4.675 1.365 7.605 1.00 2.10 H new ATOM 1226 N VAL A 76 3.459 -1.305 7.383 1.00 62.03 N ATOM 1227 CA VAL A 76 2.157 -0.929 6.842 1.00 11.30 C ATOM 1228 C VAL A 76 1.284 -0.395 7.983 1.00 64.33 C ATOM 1229 O VAL A 76 1.135 -1.086 8.987 1.00 23.20 O ATOM 1230 CB VAL A 76 1.506 -2.156 6.183 1.00 34.43 C ATOM 1231 CG1 VAL A 76 0.047 -1.868 5.813 1.00 12.01 C ATOM 1232 CG2 VAL A 76 2.220 -2.606 4.910 1.00 44.13 C ATOM 0 H VAL A 76 3.398 -1.723 8.311 1.00 62.03 H new ATOM 0 HA VAL A 76 2.268 -0.151 6.087 1.00 11.30 H new ATOM 0 HB VAL A 76 1.576 -2.951 6.926 1.00 34.43 H new ATOM 0 HG11 VAL A 76 -0.392 -2.751 5.348 1.00 12.01 H new ATOM 0 HG12 VAL A 76 -0.514 -1.615 6.713 1.00 12.01 H new ATOM 0 HG13 VAL A 76 0.007 -1.033 5.114 1.00 12.01 H new ATOM 0 HG21 VAL A 76 1.710 -3.476 4.495 1.00 44.13 H new ATOM 0 HG22 VAL A 76 2.208 -1.796 4.181 1.00 44.13 H new ATOM 0 HG23 VAL A 76 3.252 -2.868 5.145 1.00 44.13 H new ATOM 1242 N GLU A 77 0.702 0.798 7.839 1.00 33.13 N ATOM 1243 CA GLU A 77 -0.159 1.433 8.838 1.00 52.24 C ATOM 1244 C GLU A 77 -1.289 2.206 8.123 1.00 13.41 C ATOM 1245 O GLU A 77 -1.303 2.301 6.892 1.00 2.14 O ATOM 1246 CB GLU A 77 0.661 2.359 9.776 1.00 74.24 C ATOM 1247 CG GLU A 77 2.105 1.887 10.044 1.00 74.04 C ATOM 1248 CD GLU A 77 2.849 2.662 11.130 1.00 10.33 C ATOM 1249 OE1 GLU A 77 2.963 3.904 11.035 1.00 5.23 O ATOM 1250 OE2 GLU A 77 3.408 2.007 12.044 1.00 60.13 O ATOM 0 H GLU A 77 0.821 1.365 6.999 1.00 33.13 H new ATOM 0 HA GLU A 77 -0.606 0.663 9.467 1.00 52.24 H new ATOM 0 HB2 GLU A 77 0.694 3.358 9.340 1.00 74.24 H new ATOM 0 HB3 GLU A 77 0.138 2.444 10.729 1.00 74.24 H new ATOM 0 HG2 GLU A 77 2.081 0.834 10.323 1.00 74.04 H new ATOM 0 HG3 GLU A 77 2.672 1.958 9.116 1.00 74.04 H new ATOM 1257 N LEU A 78 -2.261 2.743 8.871 1.00 75.21 N ATOM 1258 CA LEU A 78 -3.392 3.504 8.331 1.00 71.30 C ATOM 1259 C LEU A 78 -3.041 4.990 8.249 1.00 31.34 C ATOM 1260 O LEU A 78 -2.292 5.487 9.087 1.00 2.31 O ATOM 1261 CB LEU A 78 -4.614 3.347 9.251 1.00 12.12 C ATOM 1262 CG LEU A 78 -5.530 2.139 9.006 1.00 23.05 C ATOM 1263 CD1 LEU A 78 -6.221 2.206 7.646 1.00 15.41 C ATOM 1264 CD2 LEU A 78 -4.814 0.797 9.185 1.00 14.14 C ATOM 0 H LEU A 78 -2.283 2.659 9.887 1.00 75.21 H new ATOM 0 HA LEU A 78 -3.617 3.122 7.335 1.00 71.30 H new ATOM 0 HB2 LEU A 78 -4.257 3.297 10.280 1.00 12.12 H new ATOM 0 HB3 LEU A 78 -5.218 4.251 9.167 1.00 12.12 H new ATOM 0 HG LEU A 78 -6.298 2.196 9.777 1.00 23.05 H new ATOM 0 HD11 LEU A 78 -6.858 1.331 7.518 1.00 15.41 H new ATOM 0 HD12 LEU A 78 -6.829 3.109 7.591 1.00 15.41 H new ATOM 0 HD13 LEU A 78 -5.470 2.226 6.857 1.00 15.41 H new ATOM 0 HD21 LEU A 78 -5.515 -0.017 8.998 1.00 14.14 H new ATOM 0 HD22 LEU A 78 -3.984 0.730 8.481 1.00 14.14 H new ATOM 0 HD23 LEU A 78 -4.433 0.721 10.203 1.00 14.14 H new ATOM 1276 N THR A 79 -3.647 5.720 7.312 1.00 41.54 N ATOM 1277 CA THR A 79 -3.419 7.156 7.088 1.00 71.14 C ATOM 1278 C THR A 79 -4.699 7.720 6.455 1.00 21.41 C ATOM 1279 O THR A 79 -4.826 7.854 5.241 1.00 32.12 O ATOM 1280 CB THR A 79 -2.125 7.325 6.250 1.00 51.51 C ATOM 1281 OG1 THR A 79 -1.775 8.653 5.909 1.00 64.32 O ATOM 1282 CG2 THR A 79 -2.034 6.419 5.042 1.00 71.02 C ATOM 0 H THR A 79 -4.330 5.322 6.668 1.00 41.54 H new ATOM 0 HA THR A 79 -3.243 7.726 8.000 1.00 71.14 H new ATOM 0 HB THR A 79 -1.371 6.995 6.964 1.00 51.51 H new ATOM 0 HG1 THR A 79 -0.947 8.649 5.385 1.00 64.32 H new ATOM 0 HG21 THR A 79 -1.097 6.606 4.517 1.00 71.02 H new ATOM 0 HG22 THR A 79 -2.068 5.378 5.364 1.00 71.02 H new ATOM 0 HG23 THR A 79 -2.871 6.619 4.373 1.00 71.02 H new