USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1242 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 62 TYR OH : rot 180:sc= 0.0239 USER MOD Set 1.2: A 70 GLN : amide:sc= -0.0442 K(o=-0.02,f=-2!) USER MOD Set 2.1: A 51 CYS SG : rot 43:sc= 2.58 USER MOD Set 2.2: A 93 TYR OH : rot 154:sc= 1.4 USER MOD Single : A 7 TYR OH : rot 180:sc=-0.00309 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.795 K(o=0.79,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 155:sc= 1.42 (180deg=0.0177) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -112:sc= 0.894 USER MOD Single : A 32 GLN : amide:sc=-0.00767 X(o=-0.0077,f=-0.0077) USER MOD Single : A 34 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.51) USER MOD Single : A 36 LYS NZ :NH3+ -126:sc= 1.23 (180deg=0.436) USER MOD Single : A 45 THR OG1 : rot -127:sc= 0.696 USER MOD Single : A 47 CYS SG : rot -57:sc= -2.52! USER MOD Single : A 53 THR OG1 : rot -127:sc= 1.28 USER MOD Single : A 54 THR OG1 : rot 97:sc= 0.856 USER MOD Single : A 59 LYS NZ :NH3+ -170:sc= 2.33 (180deg=2.05) USER MOD Single : A 64 LYS NZ :NH3+ -126:sc= 0.724 (180deg=-0.484!) USER MOD Single : A 68 LYS NZ :NH3+ -179:sc= 0.965 (180deg=0.94) USER MOD Single : A 74 GLN : amide:sc= 0.151 X(o=0.15,f=0) USER MOD Single : A 79 SER OG : rot 104:sc= 1.31 USER MOD Single : A 95 LYS NZ :NH3+ -113:sc= 0.926 (180deg=0.799) USER MOD Single : A 98 HIS :FLIP no HE2:sc= -0.601 F(o=-1.6,f=-0.6) USER MOD Single : A 100 SER OG : rot -43:sc= 0.639 USER MOD Single : A 105 SER OG : rot -165:sc= 1.17 USER MOD Single : A 107 SER OG : rot 180:sc= 0.118 USER MOD Single : A 116 GLN : amide:sc= 0.177 X(o=0.18,f=-0.0013) USER MOD Single : A 117 THR OG1 : rot 96:sc= 1.26 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.595 X(o=-0.6,f=-0.52) USER MOD Single : A 124 LYS NZ :NH3+ -146:sc= 0.422 (180deg=-0.877) USER MOD Single : A 137 HIS : no HD1:sc= -2.22 X(o=-2.2,f=-2.3) USER MOD Single : A 138 THR OG1 : rot 113:sc= 1.38 USER MOD Single : A 140 THR OG1 : rot 180:sc=-0.00318 USER MOD Single : A 141 THR OG1 : rot -30:sc= 0.638 USER MOD Single : A 145 LYS NZ :NH3+ 168:sc= 1.9 (180deg=1.71) USER MOD Single : A 153 TYR OH : rot 152:sc= 1.22 USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ -173:sc= -1.5 (180deg=-1.71) USER MOD Single : A 161 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 GLN : amide:sc= -0.172 K(o=-0.17,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 16.195 3.894 4.248 1.00 1.54 N ATOM 90 CA TYR A 7 16.850 2.911 3.354 1.00 1.74 C ATOM 91 C TYR A 7 15.906 2.274 2.306 1.00 1.66 C ATOM 92 O TYR A 7 16.175 1.193 1.781 1.00 1.83 O ATOM 93 CB TYR A 7 17.684 1.879 4.152 1.00 2.84 C ATOM 94 CG TYR A 7 16.992 0.731 4.876 1.00 2.16 C ATOM 95 CD1 TYR A 7 15.609 0.730 5.151 1.00 2.04 C ATOM 96 CD2 TYR A 7 17.774 -0.373 5.278 1.00 3.29 C ATOM 97 CE1 TYR A 7 15.022 -0.363 5.811 1.00 2.35 C ATOM 98 CE2 TYR A 7 17.191 -1.468 5.950 1.00 3.12 C ATOM 99 CZ TYR A 7 15.807 -1.461 6.223 1.00 2.22 C ATOM 100 OH TYR A 7 15.206 -2.505 6.857 1.00 2.83 O ATOM 0 HA TYR A 7 17.555 3.480 2.748 1.00 1.74 H new ATOM 0 HB2 TYR A 7 18.402 1.439 3.460 1.00 2.84 H new ATOM 0 HB3 TYR A 7 18.257 2.432 4.896 1.00 2.84 H new ATOM 0 HD1 TYR A 7 15.000 1.571 4.854 1.00 2.04 H new ATOM 0 HD2 TYR A 7 18.833 -0.380 5.068 1.00 3.29 H new ATOM 0 HE1 TYR A 7 13.960 -0.363 6.005 1.00 2.35 H new ATOM 0 HE2 TYR A 7 17.800 -2.306 6.254 1.00 3.12 H new ATOM 0 HH TYR A 7 15.877 -3.184 7.077 1.00 2.83 H new ATOM 110 N GLY A 8 14.782 2.945 2.011 1.00 1.21 N ATOM 111 CA GLY A 8 13.869 2.569 0.927 1.00 1.03 C ATOM 112 C GLY A 8 14.463 2.892 -0.447 1.00 1.15 C ATOM 113 O GLY A 8 15.450 3.626 -0.558 1.00 1.45 O ATOM 0 H GLY A 8 14.481 3.773 2.526 1.00 1.21 H new ATOM 0 HA2 GLY A 8 13.650 1.503 0.988 1.00 1.03 H new ATOM 0 HA3 GLY A 8 12.923 3.096 1.048 1.00 1.03 H new ATOM 117 N THR A 9 13.863 2.342 -1.507 1.00 1.09 N ATOM 118 CA THR A 9 14.309 2.515 -2.899 1.00 1.26 C ATOM 119 C THR A 9 13.807 3.861 -3.413 1.00 1.37 C ATOM 120 O THR A 9 12.794 3.979 -4.109 1.00 1.37 O ATOM 121 CB THR A 9 13.814 1.360 -3.753 1.00 1.36 C ATOM 122 OG1 THR A 9 14.178 0.144 -3.147 1.00 1.41 O ATOM 123 CG2 THR A 9 14.370 1.369 -5.176 1.00 1.70 C ATOM 0 H THR A 9 13.036 1.751 -1.423 1.00 1.09 H new ATOM 0 HA THR A 9 15.398 2.510 -2.952 1.00 1.26 H new ATOM 0 HB THR A 9 12.732 1.472 -3.823 1.00 1.36 H new ATOM 0 HG1 THR A 9 13.858 -0.603 -3.695 1.00 1.41 H new ATOM 0 HG21 THR A 9 13.974 0.516 -5.727 1.00 1.70 H new ATOM 0 HG22 THR A 9 14.076 2.292 -5.676 1.00 1.70 H new ATOM 0 HG23 THR A 9 15.458 1.305 -5.142 1.00 1.70 H new ATOM 131 N ARG A 10 14.496 4.903 -2.964 1.00 1.20 N ATOM 132 CA ARG A 10 14.153 6.298 -3.207 1.00 1.16 C ATOM 133 C ARG A 10 14.457 6.685 -4.652 1.00 1.49 C ATOM 134 O ARG A 10 15.452 6.260 -5.231 1.00 1.78 O ATOM 135 CB ARG A 10 14.847 7.181 -2.165 1.00 1.26 C ATOM 136 CG ARG A 10 14.362 8.635 -2.211 1.00 1.44 C ATOM 137 CD ARG A 10 14.773 9.343 -0.915 1.00 2.02 C ATOM 138 NE ARG A 10 14.474 10.789 -0.929 1.00 2.32 N ATOM 139 CZ ARG A 10 15.203 11.750 -1.496 1.00 2.65 C ATOM 140 NH1 ARG A 10 16.256 11.495 -2.245 1.00 3.52 N ATOM 141 NH2 ARG A 10 14.884 13.013 -1.312 1.00 3.21 N ATOM 0 H ARG A 10 15.339 4.795 -2.400 1.00 1.20 H new ATOM 0 HA ARG A 10 13.081 6.452 -3.087 1.00 1.16 H new ATOM 0 HB2 ARG A 10 14.668 6.773 -1.170 1.00 1.26 H new ATOM 0 HB3 ARG A 10 15.924 7.155 -2.331 1.00 1.26 H new ATOM 0 HG2 ARG A 10 14.792 9.147 -3.072 1.00 1.44 H new ATOM 0 HG3 ARG A 10 13.279 8.666 -2.329 1.00 1.44 H new ATOM 0 HD2 ARG A 10 14.257 8.879 -0.074 1.00 2.02 H new ATOM 0 HD3 ARG A 10 15.841 9.200 -0.752 1.00 2.02 H new ATOM 0 HE ARG A 10 13.620 11.083 -0.455 1.00 2.32 H new ATOM 0 HH11 ARG A 10 16.542 10.530 -2.411 1.00 3.52 H new ATOM 0 HH12 ARG A 10 16.785 12.262 -2.659 1.00 3.52 H new ATOM 0 HH21 ARG A 10 14.079 13.257 -0.735 1.00 3.21 H new ATOM 0 HH22 ARG A 10 15.442 13.748 -1.746 1.00 3.21 H new ATOM 155 N LEU A 11 13.561 7.471 -5.250 1.00 0.96 N ATOM 156 CA LEU A 11 13.589 7.725 -6.692 1.00 1.01 C ATOM 157 C LEU A 11 14.641 8.774 -7.080 1.00 1.66 C ATOM 158 O LEU A 11 14.911 9.709 -6.330 1.00 2.20 O ATOM 159 CB LEU A 11 12.194 8.134 -7.199 1.00 0.88 C ATOM 160 CG LEU A 11 11.078 7.088 -7.004 1.00 1.14 C ATOM 161 CD1 LEU A 11 9.782 7.655 -7.598 1.00 1.54 C ATOM 162 CD2 LEU A 11 11.388 5.732 -7.658 1.00 1.43 C ATOM 0 H LEU A 11 12.804 7.944 -4.757 1.00 0.96 H new ATOM 0 HA LEU A 11 13.878 6.792 -7.176 1.00 1.01 H new ATOM 0 HB2 LEU A 11 11.898 9.052 -6.692 1.00 0.88 H new ATOM 0 HB3 LEU A 11 12.267 8.366 -8.261 1.00 0.88 H new ATOM 0 HG LEU A 11 10.986 6.899 -5.934 1.00 1.14 H new ATOM 0 HD11 LEU A 11 8.977 6.931 -7.472 1.00 1.54 H new ATOM 0 HD12 LEU A 11 9.521 8.581 -7.085 1.00 1.54 H new ATOM 0 HD13 LEU A 11 9.926 7.856 -8.660 1.00 1.54 H new ATOM 0 HD21 LEU A 11 10.560 5.045 -7.481 1.00 1.43 H new ATOM 0 HD22 LEU A 11 11.524 5.868 -8.731 1.00 1.43 H new ATOM 0 HD23 LEU A 11 12.300 5.320 -7.226 1.00 1.43 H new ATOM 174 N LEU A 12 15.185 8.632 -8.295 1.00 1.73 N ATOM 175 CA LEU A 12 16.027 9.628 -8.967 1.00 2.16 C ATOM 176 C LEU A 12 15.192 10.818 -9.464 1.00 1.94 C ATOM 177 O LEU A 12 15.650 11.956 -9.414 1.00 2.52 O ATOM 178 CB LEU A 12 16.769 8.870 -10.083 1.00 2.78 C ATOM 179 CG LEU A 12 17.829 9.687 -10.849 1.00 3.49 C ATOM 180 CD1 LEU A 12 18.903 8.726 -11.374 1.00 4.75 C ATOM 181 CD2 LEU A 12 17.223 10.443 -12.039 1.00 5.05 C ATOM 0 H LEU A 12 15.046 7.792 -8.856 1.00 1.73 H new ATOM 0 HA LEU A 12 16.753 10.081 -8.292 1.00 2.16 H new ATOM 0 HB2 LEU A 12 17.254 7.998 -9.645 1.00 2.78 H new ATOM 0 HB3 LEU A 12 16.034 8.500 -10.798 1.00 2.78 H new ATOM 0 HG LEU A 12 18.251 10.421 -10.162 1.00 3.49 H new ATOM 0 HD11 LEU A 12 19.661 9.289 -11.919 1.00 4.75 H new ATOM 0 HD12 LEU A 12 19.369 8.208 -10.536 1.00 4.75 H new ATOM 0 HD13 LEU A 12 18.444 7.997 -12.041 1.00 4.75 H new ATOM 0 HD21 LEU A 12 18.005 11.005 -12.550 1.00 5.05 H new ATOM 0 HD22 LEU A 12 16.776 9.731 -12.733 1.00 5.05 H new ATOM 0 HD23 LEU A 12 16.457 11.131 -11.681 1.00 5.05 H new ATOM 193 N ASN A 13 13.957 10.557 -9.902 1.00 1.36 N ATOM 194 CA ASN A 13 12.953 11.547 -10.300 1.00 1.42 C ATOM 195 C ASN A 13 11.538 10.942 -10.146 1.00 1.33 C ATOM 196 O ASN A 13 11.384 9.729 -10.328 1.00 1.51 O ATOM 197 CB ASN A 13 13.216 12.021 -11.746 1.00 1.84 C ATOM 198 CG ASN A 13 13.539 13.508 -11.823 1.00 3.12 C ATOM 199 OD1 ASN A 13 12.819 14.285 -12.430 1.00 3.80 O ATOM 200 ND2 ASN A 13 14.608 13.954 -11.189 1.00 4.54 N ATOM 0 H ASN A 13 13.613 9.601 -9.993 1.00 1.36 H new ATOM 0 HA ASN A 13 13.021 12.420 -9.651 1.00 1.42 H new ATOM 0 HB2 ASN A 13 14.044 11.450 -12.167 1.00 1.84 H new ATOM 0 HB3 ASN A 13 12.340 11.811 -12.359 1.00 1.84 H new ATOM 0 HD21 ASN A 13 14.833 14.949 -11.206 1.00 4.54 H new ATOM 0 HD22 ASN A 13 15.209 13.304 -10.682 1.00 4.54 H new ATOM 207 N PRO A 14 10.515 11.741 -9.786 1.00 1.12 N ATOM 208 CA PRO A 14 9.179 11.243 -9.474 1.00 1.10 C ATOM 209 C PRO A 14 8.385 10.883 -10.730 1.00 1.34 C ATOM 210 O PRO A 14 8.480 11.546 -11.762 1.00 1.77 O ATOM 211 CB PRO A 14 8.501 12.366 -8.689 1.00 1.47 C ATOM 212 CG PRO A 14 9.154 13.628 -9.250 1.00 1.59 C ATOM 213 CD PRO A 14 10.585 13.177 -9.540 1.00 1.36 C ATOM 0 HA PRO A 14 9.231 10.318 -8.900 1.00 1.10 H new ATOM 0 HB2 PRO A 14 7.422 12.369 -8.842 1.00 1.47 H new ATOM 0 HB3 PRO A 14 8.671 12.267 -7.617 1.00 1.47 H new ATOM 0 HG2 PRO A 14 8.650 13.976 -10.152 1.00 1.59 H new ATOM 0 HG3 PRO A 14 9.127 14.449 -8.533 1.00 1.59 H new ATOM 0 HD2 PRO A 14 10.991 13.701 -10.405 1.00 1.36 H new ATOM 0 HD3 PRO A 14 11.241 13.396 -8.698 1.00 1.36 H new ATOM 221 N LYS A 15 7.548 9.851 -10.610 1.00 0.82 N ATOM 222 CA LYS A 15 6.635 9.411 -11.665 1.00 0.90 C ATOM 223 C LYS A 15 5.180 9.600 -11.209 1.00 1.12 C ATOM 224 O LYS A 15 4.839 9.130 -10.122 1.00 1.18 O ATOM 225 CB LYS A 15 6.921 7.936 -11.968 1.00 1.02 C ATOM 226 CG LYS A 15 6.157 7.422 -13.200 1.00 1.39 C ATOM 227 CD LYS A 15 6.216 5.891 -13.343 1.00 1.81 C ATOM 228 CE LYS A 15 5.251 5.150 -12.401 1.00 2.06 C ATOM 229 NZ LYS A 15 3.829 5.320 -12.791 1.00 3.02 N ATOM 0 H LYS A 15 7.485 9.288 -9.762 1.00 0.82 H new ATOM 0 HA LYS A 15 6.785 10.004 -12.567 1.00 0.90 H new ATOM 0 HB2 LYS A 15 7.991 7.804 -12.128 1.00 1.02 H new ATOM 0 HB3 LYS A 15 6.651 7.333 -11.101 1.00 1.02 H new ATOM 0 HG2 LYS A 15 5.115 7.736 -13.133 1.00 1.39 H new ATOM 0 HG3 LYS A 15 6.572 7.882 -14.097 1.00 1.39 H new ATOM 0 HD2 LYS A 15 5.985 5.621 -14.373 1.00 1.81 H new ATOM 0 HD3 LYS A 15 7.234 5.554 -13.146 1.00 1.81 H new ATOM 0 HE2 LYS A 15 5.498 4.088 -12.396 1.00 2.06 H new ATOM 0 HE3 LYS A 15 5.391 5.515 -11.383 1.00 2.06 H new ATOM 0 HZ1 LYS A 15 3.273 4.517 -12.435 1.00 3.02 H new ATOM 0 HZ2 LYS A 15 3.461 6.203 -12.384 1.00 3.02 H new ATOM 0 HZ3 LYS A 15 3.756 5.359 -13.828 1.00 3.02 H new ATOM 243 N PRO A 16 4.297 10.230 -12.001 1.00 0.97 N ATOM 244 CA PRO A 16 2.906 10.420 -11.613 1.00 1.04 C ATOM 245 C PRO A 16 2.170 9.069 -11.639 1.00 1.26 C ATOM 246 O PRO A 16 2.597 8.147 -12.343 1.00 1.22 O ATOM 247 CB PRO A 16 2.346 11.441 -12.606 1.00 1.26 C ATOM 248 CG PRO A 16 3.195 11.232 -13.863 1.00 1.29 C ATOM 249 CD PRO A 16 4.544 10.728 -13.342 1.00 1.17 C ATOM 0 HA PRO A 16 2.785 10.792 -10.596 1.00 1.04 H new ATOM 0 HB2 PRO A 16 1.288 11.268 -12.804 1.00 1.26 H new ATOM 0 HB3 PRO A 16 2.436 12.459 -12.227 1.00 1.26 H new ATOM 0 HG2 PRO A 16 2.735 10.508 -14.536 1.00 1.29 H new ATOM 0 HG3 PRO A 16 3.309 12.160 -14.423 1.00 1.29 H new ATOM 0 HD2 PRO A 16 4.940 9.941 -13.983 1.00 1.17 H new ATOM 0 HD3 PRO A 16 5.282 11.530 -13.330 1.00 1.17 H new ATOM 257 N VAL A 17 1.089 8.949 -10.856 1.00 0.82 N ATOM 258 CA VAL A 17 0.293 7.715 -10.702 1.00 0.83 C ATOM 259 C VAL A 17 -1.159 8.050 -10.351 1.00 1.19 C ATOM 260 O VAL A 17 -1.408 8.929 -9.532 1.00 1.28 O ATOM 261 CB VAL A 17 0.841 6.750 -9.611 1.00 0.87 C ATOM 262 CG1 VAL A 17 2.130 6.037 -10.052 1.00 1.01 C ATOM 263 CG2 VAL A 17 1.105 7.418 -8.250 1.00 1.01 C ATOM 0 H VAL A 17 0.732 9.724 -10.297 1.00 0.82 H new ATOM 0 HA VAL A 17 0.360 7.209 -11.665 1.00 0.83 H new ATOM 0 HB VAL A 17 0.035 6.027 -9.484 1.00 0.87 H new ATOM 0 HG11 VAL A 17 2.471 5.376 -9.255 1.00 1.01 H new ATOM 0 HG12 VAL A 17 1.933 5.452 -10.950 1.00 1.01 H new ATOM 0 HG13 VAL A 17 2.901 6.778 -10.264 1.00 1.01 H new ATOM 0 HG21 VAL A 17 1.485 6.676 -7.548 1.00 1.01 H new ATOM 0 HG22 VAL A 17 1.841 8.213 -8.371 1.00 1.01 H new ATOM 0 HG23 VAL A 17 0.176 7.839 -7.865 1.00 1.01 H new ATOM 273 N ASP A 18 -2.101 7.311 -10.938 1.00 0.77 N ATOM 274 CA ASP A 18 -3.539 7.342 -10.641 1.00 0.76 C ATOM 275 C ASP A 18 -4.232 6.112 -11.252 1.00 1.11 C ATOM 276 O ASP A 18 -3.802 5.601 -12.283 1.00 1.63 O ATOM 277 CB ASP A 18 -4.173 8.666 -11.112 1.00 0.76 C ATOM 278 CG ASP A 18 -5.631 8.866 -10.680 1.00 1.15 C ATOM 279 OD1 ASP A 18 -6.117 8.220 -9.722 1.00 1.99 O ATOM 280 OD2 ASP A 18 -6.333 9.672 -11.332 1.00 2.14 O ATOM 0 H ASP A 18 -1.873 6.640 -11.671 1.00 0.77 H new ATOM 0 HA ASP A 18 -3.679 7.296 -9.561 1.00 0.76 H new ATOM 0 HB2 ASP A 18 -3.578 9.495 -10.729 1.00 0.76 H new ATOM 0 HB3 ASP A 18 -4.121 8.712 -12.200 1.00 0.76 H new ATOM 285 N PHE A 19 -5.288 5.614 -10.606 1.00 0.93 N ATOM 286 CA PHE A 19 -5.892 4.303 -10.868 1.00 0.90 C ATOM 287 C PHE A 19 -7.400 4.278 -10.560 1.00 1.72 C ATOM 288 O PHE A 19 -7.976 5.306 -10.200 1.00 2.06 O ATOM 289 CB PHE A 19 -5.111 3.227 -10.085 1.00 0.91 C ATOM 290 CG PHE A 19 -5.168 3.294 -8.562 1.00 0.98 C ATOM 291 CD1 PHE A 19 -6.243 2.707 -7.862 1.00 2.43 C ATOM 292 CD2 PHE A 19 -4.120 3.891 -7.829 1.00 2.03 C ATOM 293 CE1 PHE A 19 -6.292 2.750 -6.458 1.00 2.32 C ATOM 294 CE2 PHE A 19 -4.151 3.893 -6.421 1.00 2.10 C ATOM 295 CZ PHE A 19 -5.246 3.341 -5.736 1.00 1.16 C ATOM 0 H PHE A 19 -5.762 6.127 -9.863 1.00 0.93 H new ATOM 0 HA PHE A 19 -5.818 4.086 -11.934 1.00 0.90 H new ATOM 0 HB2 PHE A 19 -5.481 2.249 -10.394 1.00 0.91 H new ATOM 0 HB3 PHE A 19 -4.065 3.282 -10.387 1.00 0.91 H new ATOM 0 HD1 PHE A 19 -7.036 2.220 -8.410 1.00 2.43 H new ATOM 0 HD2 PHE A 19 -3.291 4.348 -8.350 1.00 2.03 H new ATOM 0 HE1 PHE A 19 -7.137 2.327 -5.935 1.00 2.32 H new ATOM 0 HE2 PHE A 19 -3.329 4.321 -5.866 1.00 2.10 H new ATOM 0 HZ PHE A 19 -5.282 3.372 -4.657 1.00 1.16 H new ATOM 305 N ALA A 20 -8.059 3.120 -10.691 1.00 0.91 N ATOM 306 CA ALA A 20 -9.436 2.902 -10.238 1.00 0.90 C ATOM 307 C ALA A 20 -9.579 1.497 -9.628 1.00 1.04 C ATOM 308 O ALA A 20 -9.225 0.519 -10.278 1.00 1.10 O ATOM 309 CB ALA A 20 -10.385 3.096 -11.432 1.00 1.03 C ATOM 0 H ALA A 20 -7.642 2.295 -11.122 1.00 0.91 H new ATOM 0 HA ALA A 20 -9.694 3.622 -9.461 1.00 0.90 H new ATOM 0 HB1 ALA A 20 -11.414 2.937 -11.109 1.00 1.03 H new ATOM 0 HB2 ALA A 20 -10.279 4.109 -11.820 1.00 1.03 H new ATOM 0 HB3 ALA A 20 -10.136 2.380 -12.215 1.00 1.03 H new ATOM 315 N LEU A 21 -10.083 1.414 -8.394 1.00 0.85 N ATOM 316 CA LEU A 21 -10.341 0.190 -7.627 1.00 0.81 C ATOM 317 C LEU A 21 -11.664 0.307 -6.853 1.00 1.03 C ATOM 318 O LEU A 21 -12.359 1.319 -6.959 1.00 1.17 O ATOM 319 CB LEU A 21 -9.148 -0.069 -6.684 1.00 0.75 C ATOM 320 CG LEU A 21 -8.420 -1.409 -6.854 1.00 1.03 C ATOM 321 CD1 LEU A 21 -9.279 -2.638 -6.530 1.00 1.44 C ATOM 322 CD2 LEU A 21 -7.832 -1.562 -8.256 1.00 1.45 C ATOM 0 H LEU A 21 -10.338 2.251 -7.870 1.00 0.85 H new ATOM 0 HA LEU A 21 -10.442 -0.658 -8.304 1.00 0.81 H new ATOM 0 HB2 LEU A 21 -8.423 0.733 -6.822 1.00 0.75 H new ATOM 0 HB3 LEU A 21 -9.505 -0.002 -5.656 1.00 0.75 H new ATOM 0 HG LEU A 21 -7.617 -1.374 -6.118 1.00 1.03 H new ATOM 0 HD11 LEU A 21 -8.689 -3.543 -6.676 1.00 1.44 H new ATOM 0 HD12 LEU A 21 -9.613 -2.586 -5.494 1.00 1.44 H new ATOM 0 HD13 LEU A 21 -10.146 -2.660 -7.190 1.00 1.44 H new ATOM 0 HD21 LEU A 21 -7.325 -2.524 -8.335 1.00 1.45 H new ATOM 0 HD22 LEU A 21 -8.633 -1.512 -8.994 1.00 1.45 H new ATOM 0 HD23 LEU A 21 -7.118 -0.759 -8.441 1.00 1.45 H new ATOM 334 N GLU A 22 -12.018 -0.724 -6.092 1.00 0.95 N ATOM 335 CA GLU A 22 -13.383 -1.020 -5.664 1.00 0.88 C ATOM 336 C GLU A 22 -13.391 -1.393 -4.169 1.00 1.28 C ATOM 337 O GLU A 22 -12.567 -2.194 -3.725 1.00 1.56 O ATOM 338 CB GLU A 22 -13.828 -2.168 -6.583 1.00 0.92 C ATOM 339 CG GLU A 22 -15.325 -2.423 -6.739 1.00 1.49 C ATOM 340 CD GLU A 22 -15.634 -3.402 -7.893 1.00 2.39 C ATOM 341 OE1 GLU A 22 -14.713 -3.765 -8.672 1.00 3.16 O ATOM 342 OE2 GLU A 22 -16.824 -3.754 -8.029 1.00 3.19 O ATOM 0 H GLU A 22 -11.339 -1.401 -5.744 1.00 0.95 H new ATOM 0 HA GLU A 22 -14.069 -0.177 -5.749 1.00 0.88 H new ATOM 0 HB2 GLU A 22 -13.416 -1.980 -7.575 1.00 0.92 H new ATOM 0 HB3 GLU A 22 -13.369 -3.086 -6.216 1.00 0.92 H new ATOM 0 HG2 GLU A 22 -15.722 -2.826 -5.807 1.00 1.49 H new ATOM 0 HG3 GLU A 22 -15.836 -1.477 -6.921 1.00 1.49 H new ATOM 349 N GLY A 23 -14.263 -0.766 -3.376 1.00 0.90 N ATOM 350 CA GLY A 23 -14.395 -0.974 -1.927 1.00 0.95 C ATOM 351 C GLY A 23 -15.800 -1.440 -1.522 1.00 1.10 C ATOM 352 O GLY A 23 -16.682 -1.509 -2.380 1.00 1.27 O ATOM 0 H GLY A 23 -14.921 -0.074 -3.735 1.00 0.90 H new ATOM 0 HA2 GLY A 23 -13.663 -1.714 -1.602 1.00 0.95 H new ATOM 0 HA3 GLY A 23 -14.161 -0.045 -1.408 1.00 0.95 H new ATOM 356 N PRO A 24 -16.056 -1.703 -0.224 1.00 1.02 N ATOM 357 CA PRO A 24 -17.332 -2.214 0.307 1.00 1.18 C ATOM 358 C PRO A 24 -18.448 -1.143 0.357 1.00 1.41 C ATOM 359 O PRO A 24 -19.235 -1.078 1.298 1.00 1.39 O ATOM 360 CB PRO A 24 -16.962 -2.763 1.693 1.00 1.27 C ATOM 361 CG PRO A 24 -15.898 -1.770 2.141 1.00 1.20 C ATOM 362 CD PRO A 24 -15.087 -1.581 0.861 1.00 1.01 C ATOM 0 HA PRO A 24 -17.765 -2.979 -0.338 1.00 1.18 H new ATOM 0 HB2 PRO A 24 -17.817 -2.780 2.369 1.00 1.27 H new ATOM 0 HB3 PRO A 24 -16.576 -3.781 1.641 1.00 1.27 H new ATOM 0 HG2 PRO A 24 -16.334 -0.834 2.491 1.00 1.20 H new ATOM 0 HG3 PRO A 24 -15.290 -2.163 2.956 1.00 1.20 H new ATOM 0 HD2 PRO A 24 -14.597 -0.607 0.845 1.00 1.01 H new ATOM 0 HD3 PRO A 24 -14.303 -2.334 0.776 1.00 1.01 H new ATOM 370 N GLN A 25 -18.502 -0.277 -0.657 1.00 1.51 N ATOM 371 CA GLN A 25 -19.404 0.873 -0.754 1.00 1.63 C ATOM 372 C GLN A 25 -19.455 1.477 -2.170 1.00 1.82 C ATOM 373 O GLN A 25 -20.451 2.107 -2.506 1.00 2.48 O ATOM 374 CB GLN A 25 -18.991 1.925 0.300 1.00 1.67 C ATOM 375 CG GLN A 25 -20.064 2.998 0.531 1.00 2.56 C ATOM 376 CD GLN A 25 -19.846 3.729 1.853 1.00 2.76 C ATOM 377 OE1 GLN A 25 -19.248 4.786 1.925 1.00 3.00 O ATOM 378 NE2 GLN A 25 -20.290 3.183 2.965 1.00 3.43 N ATOM 0 H GLN A 25 -17.891 -0.362 -1.469 1.00 1.51 H new ATOM 0 HA GLN A 25 -20.418 0.530 -0.550 1.00 1.63 H new ATOM 0 HB2 GLN A 25 -18.780 1.422 1.244 1.00 1.67 H new ATOM 0 HB3 GLN A 25 -18.067 2.407 -0.019 1.00 1.67 H new ATOM 0 HG2 GLN A 25 -20.046 3.715 -0.290 1.00 2.56 H new ATOM 0 HG3 GLN A 25 -21.051 2.535 0.528 1.00 2.56 H new ATOM 0 HE21 GLN A 25 -20.794 2.297 2.932 1.00 3.43 H new ATOM 0 HE22 GLN A 25 -20.130 3.646 3.860 1.00 3.43 H new ATOM 387 N GLY A 26 -18.425 1.285 -3.009 1.00 1.25 N ATOM 388 CA GLY A 26 -18.336 1.873 -4.346 1.00 1.30 C ATOM 389 C GLY A 26 -16.900 1.911 -4.894 1.00 1.31 C ATOM 390 O GLY A 26 -15.978 1.429 -4.231 1.00 1.50 O ATOM 0 H GLY A 26 -17.620 0.707 -2.769 1.00 1.25 H new ATOM 0 HA2 GLY A 26 -18.964 1.302 -5.030 1.00 1.30 H new ATOM 0 HA3 GLY A 26 -18.735 2.887 -4.318 1.00 1.30 H new ATOM 394 N PRO A 27 -16.695 2.468 -6.102 1.00 1.16 N ATOM 395 CA PRO A 27 -15.382 2.657 -6.706 1.00 1.19 C ATOM 396 C PRO A 27 -14.630 3.844 -6.079 1.00 1.28 C ATOM 397 O PRO A 27 -15.237 4.832 -5.673 1.00 1.25 O ATOM 398 CB PRO A 27 -15.657 2.880 -8.194 1.00 1.16 C ATOM 399 CG PRO A 27 -17.023 3.574 -8.190 1.00 1.12 C ATOM 400 CD PRO A 27 -17.740 2.928 -7.004 1.00 1.12 C ATOM 0 HA PRO A 27 -14.735 1.796 -6.541 1.00 1.19 H new ATOM 0 HB2 PRO A 27 -14.890 3.500 -8.658 1.00 1.16 H new ATOM 0 HB3 PRO A 27 -15.683 1.940 -8.745 1.00 1.16 H new ATOM 0 HG2 PRO A 27 -16.926 4.652 -8.063 1.00 1.12 H new ATOM 0 HG3 PRO A 27 -17.561 3.410 -9.124 1.00 1.12 H new ATOM 0 HD2 PRO A 27 -18.395 3.644 -6.508 1.00 1.12 H new ATOM 0 HD3 PRO A 27 -18.365 2.097 -7.332 1.00 1.12 H new ATOM 408 N VAL A 28 -13.298 3.758 -6.046 1.00 0.93 N ATOM 409 CA VAL A 28 -12.372 4.765 -5.494 1.00 0.92 C ATOM 410 C VAL A 28 -11.174 4.939 -6.438 1.00 1.09 C ATOM 411 O VAL A 28 -10.664 3.960 -6.993 1.00 1.03 O ATOM 412 CB VAL A 28 -11.884 4.366 -4.075 1.00 1.00 C ATOM 413 CG1 VAL A 28 -10.969 5.444 -3.466 1.00 1.22 C ATOM 414 CG2 VAL A 28 -13.049 4.125 -3.098 1.00 1.86 C ATOM 0 H VAL A 28 -12.806 2.947 -6.420 1.00 0.93 H new ATOM 0 HA VAL A 28 -12.907 5.711 -5.408 1.00 0.92 H new ATOM 0 HB VAL A 28 -11.331 3.437 -4.210 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -10.647 5.130 -2.473 1.00 1.22 H new ATOM 0 HG12 VAL A 28 -10.096 5.582 -4.103 1.00 1.22 H new ATOM 0 HG13 VAL A 28 -11.515 6.384 -3.390 1.00 1.22 H new ATOM 0 HG21 VAL A 28 -12.653 3.849 -2.121 1.00 1.86 H new ATOM 0 HG22 VAL A 28 -13.641 5.036 -3.006 1.00 1.86 H new ATOM 0 HG23 VAL A 28 -13.679 3.320 -3.475 1.00 1.86 H new ATOM 424 N ARG A 29 -10.714 6.184 -6.612 1.00 0.88 N ATOM 425 CA ARG A 29 -9.507 6.527 -7.379 1.00 0.84 C ATOM 426 C ARG A 29 -8.457 7.195 -6.491 1.00 1.20 C ATOM 427 O ARG A 29 -8.801 7.881 -5.530 1.00 1.46 O ATOM 428 CB ARG A 29 -9.836 7.483 -8.534 1.00 0.93 C ATOM 429 CG ARG A 29 -10.891 6.950 -9.517 1.00 1.18 C ATOM 430 CD ARG A 29 -10.798 7.683 -10.863 1.00 1.41 C ATOM 431 NE ARG A 29 -9.597 7.246 -11.596 1.00 2.45 N ATOM 432 CZ ARG A 29 -8.725 7.990 -12.269 1.00 3.37 C ATOM 433 NH1 ARG A 29 -8.877 9.282 -12.446 1.00 3.54 N ATOM 434 NH2 ARG A 29 -7.629 7.444 -12.749 1.00 4.90 N ATOM 0 H ARG A 29 -11.180 7.000 -6.215 1.00 0.88 H new ATOM 0 HA ARG A 29 -9.113 5.591 -7.775 1.00 0.84 H new ATOM 0 HB2 ARG A 29 -10.188 8.428 -8.119 1.00 0.93 H new ATOM 0 HB3 ARG A 29 -8.920 7.698 -9.084 1.00 0.93 H new ATOM 0 HG2 ARG A 29 -10.746 5.880 -9.669 1.00 1.18 H new ATOM 0 HG3 ARG A 29 -11.887 7.080 -9.095 1.00 1.18 H new ATOM 0 HD2 ARG A 29 -11.689 7.482 -11.457 1.00 1.41 H new ATOM 0 HD3 ARG A 29 -10.761 8.760 -10.698 1.00 1.41 H new ATOM 0 HE ARG A 29 -9.411 6.243 -11.586 1.00 2.45 H new ATOM 0 HH11 ARG A 29 -9.692 9.757 -12.059 1.00 3.54 H new ATOM 0 HH12 ARG A 29 -8.180 9.810 -12.970 1.00 3.54 H new ATOM 0 HH21 ARG A 29 -7.449 6.450 -12.605 1.00 4.90 H new ATOM 0 HH22 ARG A 29 -6.959 8.014 -13.266 1.00 4.90 H new ATOM 448 N LEU A 30 -7.176 7.088 -6.863 1.00 0.75 N ATOM 449 CA LEU A 30 -6.089 7.842 -6.213 1.00 0.79 C ATOM 450 C LEU A 30 -6.288 9.355 -6.377 1.00 1.23 C ATOM 451 O LEU A 30 -5.970 10.121 -5.476 1.00 1.37 O ATOM 452 CB LEU A 30 -4.746 7.364 -6.795 1.00 0.79 C ATOM 453 CG LEU A 30 -3.440 7.639 -6.018 1.00 0.93 C ATOM 454 CD1 LEU A 30 -2.874 9.040 -6.275 1.00 2.38 C ATOM 455 CD2 LEU A 30 -3.573 7.375 -4.510 1.00 2.36 C ATOM 0 H LEU A 30 -6.861 6.480 -7.619 1.00 0.75 H new ATOM 0 HA LEU A 30 -6.095 7.652 -5.140 1.00 0.79 H new ATOM 0 HB2 LEU A 30 -4.818 6.286 -6.941 1.00 0.79 H new ATOM 0 HB3 LEU A 30 -4.639 7.813 -7.782 1.00 0.79 H new ATOM 0 HG LEU A 30 -2.723 6.920 -6.414 1.00 0.93 H new ATOM 0 HD11 LEU A 30 -1.957 9.173 -5.701 1.00 2.38 H new ATOM 0 HD12 LEU A 30 -2.658 9.156 -7.337 1.00 2.38 H new ATOM 0 HD13 LEU A 30 -3.605 9.789 -5.970 1.00 2.38 H new ATOM 0 HD21 LEU A 30 -2.623 7.586 -4.019 1.00 2.36 H new ATOM 0 HD22 LEU A 30 -4.348 8.020 -4.095 1.00 2.36 H new ATOM 0 HD23 LEU A 30 -3.843 6.332 -4.346 1.00 2.36 H new ATOM 467 N SER A 31 -6.941 9.783 -7.456 1.00 1.06 N ATOM 468 CA SER A 31 -7.399 11.163 -7.669 1.00 1.30 C ATOM 469 C SER A 31 -8.373 11.720 -6.607 1.00 1.49 C ATOM 470 O SER A 31 -8.671 12.912 -6.655 1.00 1.93 O ATOM 471 CB SER A 31 -7.968 11.351 -9.091 1.00 1.48 C ATOM 472 OG SER A 31 -8.392 10.149 -9.706 1.00 1.72 O ATOM 0 H SER A 31 -7.175 9.164 -8.232 1.00 1.06 H new ATOM 0 HA SER A 31 -6.496 11.763 -7.552 1.00 1.30 H new ATOM 0 HB2 SER A 31 -8.811 12.041 -9.045 1.00 1.48 H new ATOM 0 HB3 SER A 31 -7.207 11.818 -9.717 1.00 1.48 H new ATOM 0 HG SER A 31 -7.796 9.937 -10.454 1.00 1.72 H new ATOM 478 N GLN A 32 -8.842 10.918 -5.639 1.00 1.14 N ATOM 479 CA GLN A 32 -9.579 11.391 -4.457 1.00 1.21 C ATOM 480 C GLN A 32 -8.647 11.819 -3.310 1.00 1.42 C ATOM 481 O GLN A 32 -9.089 12.529 -2.411 1.00 1.52 O ATOM 482 CB GLN A 32 -10.513 10.278 -3.938 1.00 1.24 C ATOM 483 CG GLN A 32 -11.577 9.800 -4.938 1.00 1.66 C ATOM 484 CD GLN A 32 -12.544 10.894 -5.381 1.00 2.20 C ATOM 485 OE1 GLN A 32 -12.581 11.274 -6.538 1.00 2.90 O ATOM 486 NE2 GLN A 32 -13.364 11.433 -4.499 1.00 2.58 N ATOM 0 H GLN A 32 -8.718 9.906 -5.656 1.00 1.14 H new ATOM 0 HA GLN A 32 -10.151 12.263 -4.774 1.00 1.21 H new ATOM 0 HB2 GLN A 32 -9.905 9.423 -3.643 1.00 1.24 H new ATOM 0 HB3 GLN A 32 -11.016 10.637 -3.040 1.00 1.24 H new ATOM 0 HG2 GLN A 32 -11.078 9.392 -5.817 1.00 1.66 H new ATOM 0 HG3 GLN A 32 -12.146 8.986 -4.488 1.00 1.66 H new ATOM 0 HE21 GLN A 32 -13.343 11.124 -3.527 1.00 2.58 H new ATOM 0 HE22 GLN A 32 -14.019 12.159 -4.789 1.00 2.58 H new ATOM 495 N PHE A 33 -7.376 11.393 -3.319 1.00 1.13 N ATOM 496 CA PHE A 33 -6.388 11.615 -2.250 1.00 1.18 C ATOM 497 C PHE A 33 -5.093 12.272 -2.768 1.00 1.99 C ATOM 498 O PHE A 33 -4.091 12.345 -2.057 1.00 2.41 O ATOM 499 CB PHE A 33 -6.066 10.264 -1.588 1.00 1.29 C ATOM 500 CG PHE A 33 -7.272 9.403 -1.263 1.00 1.27 C ATOM 501 CD1 PHE A 33 -8.267 9.871 -0.384 1.00 2.16 C ATOM 502 CD2 PHE A 33 -7.416 8.143 -1.871 1.00 2.22 C ATOM 503 CE1 PHE A 33 -9.402 9.086 -0.124 1.00 2.32 C ATOM 504 CE2 PHE A 33 -8.548 7.354 -1.605 1.00 2.20 C ATOM 505 CZ PHE A 33 -9.543 7.826 -0.733 1.00 1.67 C ATOM 0 H PHE A 33 -6.991 10.863 -4.101 1.00 1.13 H new ATOM 0 HA PHE A 33 -6.821 12.305 -1.526 1.00 1.18 H new ATOM 0 HB2 PHE A 33 -5.405 9.702 -2.248 1.00 1.29 H new ATOM 0 HB3 PHE A 33 -5.514 10.451 -0.667 1.00 1.29 H new ATOM 0 HD1 PHE A 33 -8.157 10.835 0.091 1.00 2.16 H new ATOM 0 HD2 PHE A 33 -6.654 7.780 -2.545 1.00 2.22 H new ATOM 0 HE1 PHE A 33 -10.168 9.450 0.545 1.00 2.32 H new ATOM 0 HE2 PHE A 33 -8.653 6.385 -2.071 1.00 2.20 H new ATOM 0 HZ PHE A 33 -10.415 7.222 -0.530 1.00 1.67 H new ATOM 515 N GLN A 34 -5.107 12.722 -4.025 1.00 1.19 N ATOM 516 CA GLN A 34 -3.953 13.264 -4.749 1.00 1.32 C ATOM 517 C GLN A 34 -3.495 14.638 -4.248 1.00 1.63 C ATOM 518 O GLN A 34 -2.413 15.073 -4.606 1.00 2.17 O ATOM 519 CB GLN A 34 -4.242 13.285 -6.261 1.00 1.63 C ATOM 520 CG GLN A 34 -5.337 14.289 -6.671 1.00 1.96 C ATOM 521 CD GLN A 34 -5.661 14.226 -8.165 1.00 2.48 C ATOM 522 OE1 GLN A 34 -4.815 14.000 -9.011 1.00 2.23 O ATOM 523 NE2 GLN A 34 -6.913 14.361 -8.550 1.00 4.09 N ATOM 0 H GLN A 34 -5.957 12.719 -4.590 1.00 1.19 H new ATOM 0 HA GLN A 34 -3.116 12.595 -4.549 1.00 1.32 H new ATOM 0 HB2 GLN A 34 -3.322 13.527 -6.794 1.00 1.63 H new ATOM 0 HB3 GLN A 34 -4.541 12.286 -6.578 1.00 1.63 H new ATOM 0 HG2 GLN A 34 -6.242 14.089 -6.098 1.00 1.96 H new ATOM 0 HG3 GLN A 34 -5.014 15.298 -6.415 1.00 1.96 H new ATOM 0 HE21 GLN A 34 -7.641 14.551 -7.861 1.00 4.09 H new ATOM 0 HE22 GLN A 34 -7.155 14.276 -9.537 1.00 4.09 H new ATOM 532 N ASP A 35 -4.278 15.293 -3.395 1.00 1.70 N ATOM 533 CA ASP A 35 -3.880 16.467 -2.611 1.00 1.96 C ATOM 534 C ASP A 35 -2.808 16.133 -1.542 1.00 1.84 C ATOM 535 O ASP A 35 -2.158 17.024 -0.999 1.00 2.22 O ATOM 536 CB ASP A 35 -5.181 16.990 -1.975 1.00 2.15 C ATOM 537 CG ASP A 35 -5.019 18.233 -1.095 1.00 2.29 C ATOM 538 OD1 ASP A 35 -4.827 19.335 -1.644 1.00 3.31 O ATOM 539 OD2 ASP A 35 -5.165 18.080 0.142 1.00 2.77 O ATOM 0 H ASP A 35 -5.243 15.013 -3.222 1.00 1.70 H new ATOM 0 HA ASP A 35 -3.407 17.219 -3.243 1.00 1.96 H new ATOM 0 HB2 ASP A 35 -5.891 17.217 -2.771 1.00 2.15 H new ATOM 0 HB3 ASP A 35 -5.620 16.193 -1.374 1.00 2.15 H new ATOM 544 N LYS A 36 -2.627 14.846 -1.206 1.00 1.38 N ATOM 545 CA LYS A 36 -1.930 14.395 0.007 1.00 1.40 C ATOM 546 C LYS A 36 -0.844 13.319 -0.248 1.00 1.54 C ATOM 547 O LYS A 36 -0.395 13.104 -1.377 1.00 1.73 O ATOM 548 CB LYS A 36 -3.020 13.935 1.011 1.00 1.44 C ATOM 549 CG LYS A 36 -4.031 15.009 1.435 1.00 1.84 C ATOM 550 CD LYS A 36 -3.346 16.254 2.021 1.00 2.81 C ATOM 551 CE LYS A 36 -4.165 16.852 3.165 1.00 2.80 C ATOM 552 NZ LYS A 36 -5.422 17.453 2.669 1.00 2.65 N ATOM 0 H LYS A 36 -2.968 14.076 -1.781 1.00 1.38 H new ATOM 0 HA LYS A 36 -1.354 15.222 0.422 1.00 1.40 H new ATOM 0 HB2 LYS A 36 -3.567 13.102 0.569 1.00 1.44 H new ATOM 0 HB3 LYS A 36 -2.527 13.554 1.905 1.00 1.44 H new ATOM 0 HG2 LYS A 36 -4.633 15.299 0.574 1.00 1.84 H new ATOM 0 HG3 LYS A 36 -4.714 14.591 2.174 1.00 1.84 H new ATOM 0 HD2 LYS A 36 -2.352 15.989 2.382 1.00 2.81 H new ATOM 0 HD3 LYS A 36 -3.212 17.000 1.238 1.00 2.81 H new ATOM 0 HE2 LYS A 36 -4.394 16.076 3.896 1.00 2.80 H new ATOM 0 HE3 LYS A 36 -3.575 17.610 3.680 1.00 2.80 H new ATOM 0 HZ1 LYS A 36 -5.487 18.439 2.993 1.00 2.65 H new ATOM 0 HZ2 LYS A 36 -5.432 17.429 1.629 1.00 2.65 H new ATOM 0 HZ3 LYS A 36 -6.233 16.914 3.035 1.00 2.65 H new ATOM 566 N VAL A 37 -0.383 12.649 0.815 1.00 1.29 N ATOM 567 CA VAL A 37 0.522 11.486 0.799 1.00 1.29 C ATOM 568 C VAL A 37 -0.365 10.248 0.910 1.00 1.62 C ATOM 569 O VAL A 37 -1.340 10.269 1.659 1.00 2.17 O ATOM 570 CB VAL A 37 1.537 11.481 1.979 1.00 1.27 C ATOM 571 CG1 VAL A 37 2.646 10.429 1.792 1.00 1.42 C ATOM 572 CG2 VAL A 37 2.250 12.822 2.192 1.00 1.42 C ATOM 0 H VAL A 37 -0.644 12.916 1.764 1.00 1.29 H new ATOM 0 HA VAL A 37 1.113 11.513 -0.117 1.00 1.29 H new ATOM 0 HB VAL A 37 0.914 11.254 2.844 1.00 1.27 H new ATOM 0 HG11 VAL A 37 3.329 10.465 2.641 1.00 1.42 H new ATOM 0 HG12 VAL A 37 2.199 9.437 1.727 1.00 1.42 H new ATOM 0 HG13 VAL A 37 3.196 10.639 0.875 1.00 1.42 H new ATOM 0 HG21 VAL A 37 2.940 12.738 3.031 1.00 1.42 H new ATOM 0 HG22 VAL A 37 2.804 13.086 1.292 1.00 1.42 H new ATOM 0 HG23 VAL A 37 1.513 13.596 2.405 1.00 1.42 H new ATOM 582 N VAL A 38 -0.033 9.188 0.174 1.00 0.89 N ATOM 583 CA VAL A 38 -0.702 7.879 0.265 1.00 0.73 C ATOM 584 C VAL A 38 0.338 6.758 0.246 1.00 0.90 C ATOM 585 O VAL A 38 1.311 6.805 -0.514 1.00 0.83 O ATOM 586 CB VAL A 38 -1.773 7.635 -0.834 1.00 0.82 C ATOM 587 CG1 VAL A 38 -2.700 6.464 -0.461 1.00 1.10 C ATOM 588 CG2 VAL A 38 -2.648 8.870 -1.103 1.00 1.20 C ATOM 0 H VAL A 38 0.719 9.209 -0.515 1.00 0.89 H new ATOM 0 HA VAL A 38 -1.241 7.881 1.212 1.00 0.73 H new ATOM 0 HB VAL A 38 -1.210 7.402 -1.738 1.00 0.82 H new ATOM 0 HG11 VAL A 38 -3.438 6.319 -1.250 1.00 1.10 H new ATOM 0 HG12 VAL A 38 -2.109 5.555 -0.345 1.00 1.10 H new ATOM 0 HG13 VAL A 38 -3.210 6.688 0.476 1.00 1.10 H new ATOM 0 HG21 VAL A 38 -3.377 8.638 -1.880 1.00 1.20 H new ATOM 0 HG22 VAL A 38 -3.170 9.152 -0.189 1.00 1.20 H new ATOM 0 HG23 VAL A 38 -2.019 9.697 -1.432 1.00 1.20 H new ATOM 598 N LEU A 39 0.096 5.756 1.089 1.00 0.67 N ATOM 599 CA LEU A 39 0.796 4.476 1.136 1.00 0.65 C ATOM 600 C LEU A 39 -0.083 3.405 0.471 1.00 1.15 C ATOM 601 O LEU A 39 -1.231 3.213 0.876 1.00 1.28 O ATOM 602 CB LEU A 39 1.098 4.157 2.613 1.00 0.74 C ATOM 603 CG LEU A 39 2.213 5.044 3.202 1.00 1.02 C ATOM 604 CD1 LEU A 39 2.127 5.099 4.734 1.00 1.55 C ATOM 605 CD2 LEU A 39 3.596 4.551 2.758 1.00 1.51 C ATOM 0 H LEU A 39 -0.635 5.820 1.797 1.00 0.67 H new ATOM 0 HA LEU A 39 1.740 4.506 0.591 1.00 0.65 H new ATOM 0 HB2 LEU A 39 0.189 4.286 3.201 1.00 0.74 H new ATOM 0 HB3 LEU A 39 1.388 3.110 2.701 1.00 0.74 H new ATOM 0 HG LEU A 39 2.069 6.054 2.819 1.00 1.02 H new ATOM 0 HD11 LEU A 39 2.926 5.732 5.121 1.00 1.55 H new ATOM 0 HD12 LEU A 39 1.162 5.511 5.030 1.00 1.55 H new ATOM 0 HD13 LEU A 39 2.232 4.093 5.141 1.00 1.55 H new ATOM 0 HD21 LEU A 39 4.366 5.193 3.186 1.00 1.51 H new ATOM 0 HD22 LEU A 39 3.745 3.527 3.101 1.00 1.51 H new ATOM 0 HD23 LEU A 39 3.661 4.582 1.670 1.00 1.51 H new ATOM 617 N LEU A 40 0.450 2.757 -0.569 1.00 0.57 N ATOM 618 CA LEU A 40 -0.217 1.725 -1.370 1.00 0.57 C ATOM 619 C LEU A 40 0.444 0.368 -1.131 1.00 0.91 C ATOM 620 O LEU A 40 1.657 0.254 -1.314 1.00 1.04 O ATOM 621 CB LEU A 40 -0.160 2.101 -2.871 1.00 0.63 C ATOM 622 CG LEU A 40 -1.524 2.245 -3.562 1.00 0.92 C ATOM 623 CD1 LEU A 40 -2.318 0.931 -3.582 1.00 1.91 C ATOM 624 CD2 LEU A 40 -2.314 3.413 -2.964 1.00 2.11 C ATOM 0 H LEU A 40 1.400 2.945 -0.890 1.00 0.57 H new ATOM 0 HA LEU A 40 -1.262 1.659 -1.068 1.00 0.57 H new ATOM 0 HB2 LEU A 40 0.382 3.041 -2.973 1.00 0.63 H new ATOM 0 HB3 LEU A 40 0.418 1.341 -3.398 1.00 0.63 H new ATOM 0 HG LEU A 40 -1.341 2.482 -4.610 1.00 0.92 H new ATOM 0 HD11 LEU A 40 -3.273 1.091 -4.082 1.00 1.91 H new ATOM 0 HD12 LEU A 40 -1.750 0.171 -4.119 1.00 1.91 H new ATOM 0 HD13 LEU A 40 -2.495 0.597 -2.560 1.00 1.91 H new ATOM 0 HD21 LEU A 40 -3.277 3.497 -3.468 1.00 2.11 H new ATOM 0 HD22 LEU A 40 -2.475 3.237 -1.901 1.00 2.11 H new ATOM 0 HD23 LEU A 40 -1.753 4.338 -3.097 1.00 2.11 H new ATOM 636 N PHE A 41 -0.329 -0.649 -0.737 1.00 0.59 N ATOM 637 CA PHE A 41 0.206 -1.984 -0.440 1.00 0.56 C ATOM 638 C PHE A 41 -0.728 -3.131 -0.863 1.00 1.41 C ATOM 639 O PHE A 41 -1.945 -3.073 -0.659 1.00 1.74 O ATOM 640 CB PHE A 41 0.586 -2.046 1.049 1.00 0.56 C ATOM 641 CG PHE A 41 1.294 -3.304 1.529 1.00 0.77 C ATOM 642 CD1 PHE A 41 2.257 -3.964 0.736 1.00 2.02 C ATOM 643 CD2 PHE A 41 1.031 -3.776 2.827 1.00 1.84 C ATOM 644 CE1 PHE A 41 2.925 -5.097 1.233 1.00 2.10 C ATOM 645 CE2 PHE A 41 1.713 -4.895 3.331 1.00 1.73 C ATOM 646 CZ PHE A 41 2.657 -5.564 2.531 1.00 1.16 C ATOM 0 H PHE A 41 -1.339 -0.572 -0.615 1.00 0.59 H new ATOM 0 HA PHE A 41 1.099 -2.136 -1.046 1.00 0.56 H new ATOM 0 HB2 PHE A 41 1.225 -1.192 1.271 1.00 0.56 H new ATOM 0 HB3 PHE A 41 -0.324 -1.924 1.636 1.00 0.56 H new ATOM 0 HD1 PHE A 41 2.481 -3.598 -0.255 1.00 2.02 H new ATOM 0 HD2 PHE A 41 0.298 -3.274 3.441 1.00 1.84 H new ATOM 0 HE1 PHE A 41 3.647 -5.610 0.615 1.00 2.10 H new ATOM 0 HE2 PHE A 41 1.513 -5.242 4.334 1.00 1.73 H new ATOM 0 HZ PHE A 41 3.173 -6.432 2.913 1.00 1.16 H new ATOM 656 N PHE A 42 -0.122 -4.172 -1.444 1.00 0.81 N ATOM 657 CA PHE A 42 -0.800 -5.301 -2.075 1.00 0.96 C ATOM 658 C PHE A 42 -0.812 -6.540 -1.155 1.00 2.16 C ATOM 659 O PHE A 42 0.222 -7.009 -0.681 1.00 2.64 O ATOM 660 CB PHE A 42 -0.138 -5.601 -3.435 1.00 1.12 C ATOM 661 CG PHE A 42 -0.373 -4.545 -4.511 1.00 1.07 C ATOM 662 CD1 PHE A 42 0.290 -3.302 -4.452 1.00 1.98 C ATOM 663 CD2 PHE A 42 -1.281 -4.792 -5.562 1.00 2.40 C ATOM 664 CE1 PHE A 42 0.018 -2.305 -5.407 1.00 1.73 C ATOM 665 CE2 PHE A 42 -1.530 -3.806 -6.535 1.00 2.45 C ATOM 666 CZ PHE A 42 -0.888 -2.557 -6.452 1.00 1.15 C ATOM 0 H PHE A 42 0.894 -4.251 -1.487 1.00 0.81 H new ATOM 0 HA PHE A 42 -1.843 -5.037 -2.247 1.00 0.96 H new ATOM 0 HB2 PHE A 42 0.936 -5.712 -3.283 1.00 1.12 H new ATOM 0 HB3 PHE A 42 -0.509 -6.559 -3.800 1.00 1.12 H new ATOM 0 HD1 PHE A 42 1.010 -3.114 -3.670 1.00 1.98 H new ATOM 0 HD2 PHE A 42 -1.788 -5.744 -5.620 1.00 2.40 H new ATOM 0 HE1 PHE A 42 0.506 -1.344 -5.337 1.00 1.73 H new ATOM 0 HE2 PHE A 42 -2.214 -4.008 -7.346 1.00 2.45 H new ATOM 0 HZ PHE A 42 -1.091 -1.794 -7.189 1.00 1.15 H new ATOM 676 N GLY A 43 -2.005 -7.082 -0.917 1.00 1.08 N ATOM 677 CA GLY A 43 -2.264 -8.257 -0.079 1.00 1.28 C ATOM 678 C GLY A 43 -3.336 -9.174 -0.669 1.00 1.16 C ATOM 679 O GLY A 43 -3.722 -9.039 -1.824 1.00 1.00 O ATOM 0 H GLY A 43 -2.859 -6.698 -1.321 1.00 1.08 H new ATOM 0 HA2 GLY A 43 -1.339 -8.820 0.048 1.00 1.28 H new ATOM 0 HA3 GLY A 43 -2.576 -7.930 0.913 1.00 1.28 H new ATOM 683 N PHE A 44 -3.753 -10.166 0.120 1.00 1.38 N ATOM 684 CA PHE A 44 -4.732 -11.188 -0.273 1.00 1.13 C ATOM 685 C PHE A 44 -5.425 -11.818 0.950 1.00 1.82 C ATOM 686 O PHE A 44 -5.722 -13.009 0.934 1.00 3.06 O ATOM 687 CB PHE A 44 -4.060 -12.227 -1.191 1.00 1.00 C ATOM 688 CG PHE A 44 -2.844 -12.937 -0.614 1.00 1.70 C ATOM 689 CD1 PHE A 44 -1.583 -12.310 -0.639 1.00 3.67 C ATOM 690 CD2 PHE A 44 -2.957 -14.247 -0.115 1.00 2.56 C ATOM 691 CE1 PHE A 44 -0.442 -12.996 -0.193 1.00 5.04 C ATOM 692 CE2 PHE A 44 -1.811 -14.944 0.310 1.00 3.93 C ATOM 693 CZ PHE A 44 -0.550 -14.324 0.248 1.00 4.98 C ATOM 0 H PHE A 44 -3.412 -10.286 1.074 1.00 1.38 H new ATOM 0 HA PHE A 44 -5.531 -10.714 -0.843 1.00 1.13 H new ATOM 0 HB2 PHE A 44 -4.802 -12.979 -1.460 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -3.762 -11.729 -2.114 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -1.493 -11.297 -1.003 1.00 3.67 H new ATOM 0 HD2 PHE A 44 -3.926 -14.719 -0.058 1.00 2.56 H new ATOM 0 HE1 PHE A 44 0.518 -12.502 -0.189 1.00 5.04 H new ATOM 0 HE2 PHE A 44 -1.899 -15.954 0.683 1.00 3.93 H new ATOM 0 HZ PHE A 44 0.335 -14.870 0.540 1.00 4.98 H new ATOM 703 N THR A 45 -5.562 -11.014 2.021 1.00 1.01 N ATOM 704 CA THR A 45 -6.056 -11.298 3.391 1.00 1.13 C ATOM 705 C THR A 45 -5.478 -12.545 4.051 1.00 1.53 C ATOM 706 O THR A 45 -4.727 -12.390 5.009 1.00 2.24 O ATOM 707 CB THR A 45 -7.584 -11.210 3.489 1.00 1.19 C ATOM 708 OG1 THR A 45 -8.197 -12.060 2.550 1.00 1.83 O ATOM 709 CG2 THR A 45 -8.006 -9.755 3.266 1.00 0.96 C ATOM 0 H THR A 45 -5.299 -10.032 1.942 1.00 1.01 H new ATOM 0 HA THR A 45 -5.651 -10.488 3.998 1.00 1.13 H new ATOM 0 HB THR A 45 -7.906 -11.536 4.478 1.00 1.19 H new ATOM 0 HG1 THR A 45 -8.843 -11.549 2.019 1.00 1.83 H new ATOM 0 HG21 THR A 45 -9.091 -9.677 3.333 1.00 0.96 H new ATOM 0 HG22 THR A 45 -7.549 -9.123 4.027 1.00 0.96 H new ATOM 0 HG23 THR A 45 -7.679 -9.428 2.279 1.00 0.96 H new ATOM 717 N ARG A 46 -5.701 -13.746 3.513 1.00 1.52 N ATOM 718 CA ARG A 46 -5.068 -15.031 3.875 1.00 1.69 C ATOM 719 C ARG A 46 -3.541 -15.094 3.606 1.00 1.70 C ATOM 720 O ARG A 46 -2.974 -16.164 3.379 1.00 2.41 O ATOM 721 CB ARG A 46 -5.848 -16.155 3.161 1.00 2.08 C ATOM 722 CG ARG A 46 -5.607 -17.564 3.740 1.00 2.71 C ATOM 723 CD ARG A 46 -4.930 -18.519 2.744 1.00 3.49 C ATOM 724 NE ARG A 46 -4.677 -19.831 3.370 1.00 4.33 N ATOM 725 CZ ARG A 46 -3.741 -20.718 3.040 1.00 5.33 C ATOM 726 NH1 ARG A 46 -2.871 -20.503 2.076 1.00 5.80 N ATOM 727 NH2 ARG A 46 -3.668 -21.862 3.687 1.00 6.27 N ATOM 0 H ARG A 46 -6.376 -13.862 2.758 1.00 1.52 H new ATOM 0 HA ARG A 46 -5.130 -15.155 4.956 1.00 1.69 H new ATOM 0 HB2 ARG A 46 -6.913 -15.931 3.213 1.00 2.08 H new ATOM 0 HB3 ARG A 46 -5.574 -16.157 2.106 1.00 2.08 H new ATOM 0 HG2 ARG A 46 -4.988 -17.482 4.633 1.00 2.71 H new ATOM 0 HG3 ARG A 46 -6.561 -17.990 4.051 1.00 2.71 H new ATOM 0 HD2 ARG A 46 -5.563 -18.645 1.866 1.00 3.49 H new ATOM 0 HD3 ARG A 46 -3.990 -18.087 2.400 1.00 3.49 H new ATOM 0 HE ARG A 46 -5.289 -20.088 4.144 1.00 4.33 H new ATOM 0 HH11 ARG A 46 -2.898 -19.630 1.550 1.00 5.80 H new ATOM 0 HH12 ARG A 46 -2.169 -21.210 1.855 1.00 5.80 H new ATOM 0 HH21 ARG A 46 -4.327 -22.066 4.438 1.00 6.27 H new ATOM 0 HH22 ARG A 46 -2.952 -22.544 3.437 1.00 6.27 H new ATOM 741 N CYS A 47 -2.853 -13.953 3.589 1.00 1.26 N ATOM 742 CA CYS A 47 -1.392 -13.836 3.619 1.00 1.41 C ATOM 743 C CYS A 47 -0.760 -14.559 4.839 1.00 1.52 C ATOM 744 O CYS A 47 -1.474 -14.824 5.805 1.00 2.02 O ATOM 745 CB CYS A 47 -1.071 -12.338 3.557 1.00 1.98 C ATOM 746 SG CYS A 47 -1.631 -11.560 5.097 1.00 3.82 S ATOM 0 H CYS A 47 -3.316 -13.045 3.552 1.00 1.26 H new ATOM 0 HA CYS A 47 -0.944 -14.344 2.765 1.00 1.41 H new ATOM 0 HB2 CYS A 47 0.000 -12.186 3.425 1.00 1.98 H new ATOM 0 HB3 CYS A 47 -1.566 -11.880 2.701 1.00 1.98 H new ATOM 0 HG CYS A 47 -2.902 -11.781 5.258 1.00 3.82 H new ATOM 752 N PRO A 48 0.549 -14.900 4.798 1.00 1.37 N ATOM 753 CA PRO A 48 1.190 -15.685 5.851 1.00 1.69 C ATOM 754 C PRO A 48 1.495 -14.855 7.104 1.00 1.71 C ATOM 755 O PRO A 48 1.073 -15.255 8.181 1.00 2.01 O ATOM 756 CB PRO A 48 2.455 -16.274 5.215 1.00 2.22 C ATOM 757 CG PRO A 48 2.812 -15.275 4.116 1.00 2.13 C ATOM 758 CD PRO A 48 1.449 -14.752 3.659 1.00 1.69 C ATOM 0 HA PRO A 48 0.527 -16.472 6.212 1.00 1.69 H new ATOM 0 HB2 PRO A 48 3.260 -16.372 5.943 1.00 2.22 H new ATOM 0 HB3 PRO A 48 2.272 -17.268 4.807 1.00 2.22 H new ATOM 0 HG2 PRO A 48 3.445 -14.472 4.493 1.00 2.13 H new ATOM 0 HG3 PRO A 48 3.354 -15.752 3.300 1.00 2.13 H new ATOM 0 HD2 PRO A 48 1.517 -13.709 3.350 1.00 1.69 H new ATOM 0 HD3 PRO A 48 1.085 -15.316 2.800 1.00 1.69 H new ATOM 766 N ASP A 49 2.189 -13.712 6.972 1.00 1.24 N ATOM 767 CA ASP A 49 2.557 -12.818 8.095 1.00 1.27 C ATOM 768 C ASP A 49 3.130 -11.494 7.559 1.00 1.16 C ATOM 769 O ASP A 49 2.736 -10.405 7.955 1.00 1.53 O ATOM 770 CB ASP A 49 3.583 -13.499 9.029 1.00 1.58 C ATOM 771 CG ASP A 49 3.631 -12.864 10.428 1.00 2.85 C ATOM 772 OD1 ASP A 49 3.602 -11.616 10.508 1.00 3.92 O ATOM 773 OD2 ASP A 49 3.710 -13.644 11.403 1.00 3.51 O ATOM 0 H ASP A 49 2.518 -13.373 6.068 1.00 1.24 H new ATOM 0 HA ASP A 49 1.655 -12.608 8.670 1.00 1.27 H new ATOM 0 HB2 ASP A 49 3.335 -14.556 9.124 1.00 1.58 H new ATOM 0 HB3 ASP A 49 4.573 -13.443 8.576 1.00 1.58 H new ATOM 778 N VAL A 50 3.988 -11.600 6.546 1.00 1.01 N ATOM 779 CA VAL A 50 4.649 -10.492 5.828 1.00 1.14 C ATOM 780 C VAL A 50 3.786 -9.243 5.555 1.00 1.50 C ATOM 781 O VAL A 50 4.284 -8.121 5.627 1.00 1.83 O ATOM 782 CB VAL A 50 5.261 -11.032 4.515 1.00 1.25 C ATOM 783 CG1 VAL A 50 4.199 -11.478 3.485 1.00 1.40 C ATOM 784 CG2 VAL A 50 6.216 -10.021 3.872 1.00 1.79 C ATOM 0 H VAL A 50 4.262 -12.511 6.177 1.00 1.01 H new ATOM 0 HA VAL A 50 5.419 -10.127 6.508 1.00 1.14 H new ATOM 0 HB VAL A 50 5.826 -11.917 4.806 1.00 1.25 H new ATOM 0 HG11 VAL A 50 4.695 -11.846 2.587 1.00 1.40 H new ATOM 0 HG12 VAL A 50 3.588 -12.272 3.913 1.00 1.40 H new ATOM 0 HG13 VAL A 50 3.564 -10.631 3.227 1.00 1.40 H new ATOM 0 HG21 VAL A 50 6.624 -10.440 2.952 1.00 1.79 H new ATOM 0 HG22 VAL A 50 5.674 -9.103 3.644 1.00 1.79 H new ATOM 0 HG23 VAL A 50 7.030 -9.800 4.562 1.00 1.79 H new ATOM 794 N CYS A 51 2.495 -9.417 5.240 1.00 1.53 N ATOM 795 CA CYS A 51 1.547 -8.309 5.085 1.00 1.82 C ATOM 796 C CYS A 51 1.119 -7.681 6.434 1.00 1.86 C ATOM 797 O CYS A 51 1.312 -6.471 6.551 1.00 2.09 O ATOM 798 CB CYS A 51 0.398 -8.744 4.165 1.00 2.18 C ATOM 799 SG CYS A 51 -0.595 -7.324 3.620 1.00 2.61 S ATOM 0 H CYS A 51 2.079 -10.335 5.085 1.00 1.53 H new ATOM 0 HA CYS A 51 2.045 -7.476 4.589 1.00 1.82 H new ATOM 0 HB2 CYS A 51 0.803 -9.261 3.295 1.00 2.18 H new ATOM 0 HB3 CYS A 51 -0.240 -9.455 4.690 1.00 2.18 H new ATOM 0 HG CYS A 51 0.193 -6.343 3.293 1.00 2.61 H new ATOM 805 N PRO A 52 0.566 -8.412 7.431 1.00 1.61 N ATOM 806 CA PRO A 52 0.203 -7.835 8.723 1.00 1.69 C ATOM 807 C PRO A 52 1.383 -7.267 9.523 1.00 1.67 C ATOM 808 O PRO A 52 1.178 -6.229 10.148 1.00 1.58 O ATOM 809 CB PRO A 52 -0.573 -8.911 9.495 1.00 1.78 C ATOM 810 CG PRO A 52 -0.284 -10.212 8.763 1.00 1.67 C ATOM 811 CD PRO A 52 -0.030 -9.737 7.335 1.00 1.67 C ATOM 0 HA PRO A 52 -0.418 -6.955 8.553 1.00 1.69 H new ATOM 0 HB2 PRO A 52 -0.247 -8.963 10.534 1.00 1.78 H new ATOM 0 HB3 PRO A 52 -1.641 -8.694 9.507 1.00 1.78 H new ATOM 0 HG2 PRO A 52 0.581 -10.728 9.179 1.00 1.67 H new ATOM 0 HG3 PRO A 52 -1.125 -10.904 8.817 1.00 1.67 H new ATOM 0 HD2 PRO A 52 0.636 -10.423 6.812 1.00 1.67 H new ATOM 0 HD3 PRO A 52 -0.960 -9.702 6.768 1.00 1.67 H new ATOM 819 N THR A 53 2.604 -7.838 9.474 1.00 1.22 N ATOM 820 CA THR A 53 3.786 -7.177 10.075 1.00 1.21 C ATOM 821 C THR A 53 4.055 -5.825 9.411 1.00 1.39 C ATOM 822 O THR A 53 4.156 -4.805 10.094 1.00 1.43 O ATOM 823 CB THR A 53 5.024 -8.090 10.080 1.00 1.28 C ATOM 824 OG1 THR A 53 6.071 -7.391 10.709 1.00 3.24 O ATOM 825 CG2 THR A 53 5.511 -8.505 8.697 1.00 2.43 C ATOM 0 H THR A 53 2.798 -8.738 9.034 1.00 1.22 H new ATOM 0 HA THR A 53 3.557 -6.982 11.123 1.00 1.21 H new ATOM 0 HB THR A 53 4.735 -9.004 10.598 1.00 1.28 H new ATOM 0 HG1 THR A 53 6.857 -7.384 10.124 1.00 3.24 H new ATOM 0 HG21 THR A 53 6.386 -9.147 8.797 1.00 2.43 H new ATOM 0 HG22 THR A 53 4.720 -9.048 8.181 1.00 2.43 H new ATOM 0 HG23 THR A 53 5.776 -7.617 8.123 1.00 2.43 H new ATOM 833 N THR A 54 4.029 -5.781 8.075 1.00 1.12 N ATOM 834 CA THR A 54 4.186 -4.546 7.285 1.00 1.11 C ATOM 835 C THR A 54 3.058 -3.546 7.550 1.00 1.18 C ATOM 836 O THR A 54 3.353 -2.366 7.713 1.00 1.26 O ATOM 837 CB THR A 54 4.344 -4.868 5.797 1.00 1.08 C ATOM 838 OG1 THR A 54 5.537 -5.591 5.605 1.00 1.29 O ATOM 839 CG2 THR A 54 4.443 -3.611 4.935 1.00 1.20 C ATOM 0 H THR A 54 3.897 -6.613 7.499 1.00 1.12 H new ATOM 0 HA THR A 54 5.104 -4.057 7.611 1.00 1.11 H new ATOM 0 HB THR A 54 3.462 -5.435 5.501 1.00 1.08 H new ATOM 0 HG1 THR A 54 5.338 -6.550 5.580 1.00 1.29 H new ATOM 0 HG21 THR A 54 4.554 -3.895 3.889 1.00 1.20 H new ATOM 0 HG22 THR A 54 3.538 -3.015 5.055 1.00 1.20 H new ATOM 0 HG23 THR A 54 5.308 -3.024 5.245 1.00 1.20 H new ATOM 847 N LEU A 55 1.793 -3.958 7.689 1.00 1.08 N ATOM 848 CA LEU A 55 0.712 -3.047 8.105 1.00 1.08 C ATOM 849 C LEU A 55 0.881 -2.577 9.556 1.00 1.47 C ATOM 850 O LEU A 55 0.533 -1.431 9.848 1.00 1.67 O ATOM 851 CB LEU A 55 -0.686 -3.682 7.947 1.00 1.08 C ATOM 852 CG LEU A 55 -1.258 -3.830 6.523 1.00 1.14 C ATOM 853 CD1 LEU A 55 -2.738 -4.228 6.623 1.00 1.61 C ATOM 854 CD2 LEU A 55 -1.196 -2.532 5.710 1.00 1.82 C ATOM 0 H LEU A 55 1.489 -4.917 7.520 1.00 1.08 H new ATOM 0 HA LEU A 55 0.786 -2.188 7.439 1.00 1.08 H new ATOM 0 HB2 LEU A 55 -0.655 -4.673 8.399 1.00 1.08 H new ATOM 0 HB3 LEU A 55 -1.390 -3.088 8.529 1.00 1.08 H new ATOM 0 HG LEU A 55 -0.651 -4.582 6.019 1.00 1.14 H new ATOM 0 HD11 LEU A 55 -3.154 -4.336 5.621 1.00 1.61 H new ATOM 0 HD12 LEU A 55 -2.825 -5.175 7.156 1.00 1.61 H new ATOM 0 HD13 LEU A 55 -3.287 -3.456 7.163 1.00 1.61 H new ATOM 0 HD21 LEU A 55 -1.614 -2.704 4.718 1.00 1.82 H new ATOM 0 HD22 LEU A 55 -1.771 -1.757 6.217 1.00 1.82 H new ATOM 0 HD23 LEU A 55 -0.159 -2.211 5.616 1.00 1.82 H new ATOM 866 N LEU A 56 1.436 -3.401 10.456 1.00 1.09 N ATOM 867 CA LEU A 56 1.756 -2.975 11.816 1.00 1.11 C ATOM 868 C LEU A 56 2.847 -1.906 11.798 1.00 1.50 C ATOM 869 O LEU A 56 2.697 -0.900 12.482 1.00 1.60 O ATOM 870 CB LEU A 56 2.177 -4.180 12.683 1.00 1.18 C ATOM 871 CG LEU A 56 2.087 -3.867 14.189 1.00 1.42 C ATOM 872 CD1 LEU A 56 0.643 -3.871 14.714 1.00 2.25 C ATOM 873 CD2 LEU A 56 2.919 -4.873 14.993 1.00 1.40 C ATOM 0 H LEU A 56 1.672 -4.373 10.259 1.00 1.09 H new ATOM 0 HA LEU A 56 0.861 -2.540 12.260 1.00 1.11 H new ATOM 0 HB2 LEU A 56 1.540 -5.033 12.451 1.00 1.18 H new ATOM 0 HB3 LEU A 56 3.198 -4.467 12.433 1.00 1.18 H new ATOM 0 HG LEU A 56 2.483 -2.860 14.319 1.00 1.42 H new ATOM 0 HD11 LEU A 56 0.643 -3.644 15.780 1.00 2.25 H new ATOM 0 HD12 LEU A 56 0.061 -3.118 14.183 1.00 2.25 H new ATOM 0 HD13 LEU A 56 0.200 -4.853 14.552 1.00 2.25 H new ATOM 0 HD21 LEU A 56 2.846 -4.639 16.055 1.00 1.40 H new ATOM 0 HD22 LEU A 56 2.542 -5.880 14.816 1.00 1.40 H new ATOM 0 HD23 LEU A 56 3.961 -4.816 14.680 1.00 1.40 H new ATOM 885 N ALA A 57 3.911 -2.082 11.011 1.00 1.17 N ATOM 886 CA ALA A 57 4.980 -1.098 10.843 1.00 1.23 C ATOM 887 C ALA A 57 4.487 0.192 10.166 1.00 1.31 C ATOM 888 O ALA A 57 4.755 1.286 10.669 1.00 1.55 O ATOM 889 CB ALA A 57 6.114 -1.760 10.063 1.00 1.25 C ATOM 0 H ALA A 57 4.055 -2.930 10.462 1.00 1.17 H new ATOM 0 HA ALA A 57 5.342 -0.785 11.822 1.00 1.23 H new ATOM 0 HB1 ALA A 57 6.925 -1.046 9.924 1.00 1.25 H new ATOM 0 HB2 ALA A 57 6.482 -2.623 10.618 1.00 1.25 H new ATOM 0 HB3 ALA A 57 5.745 -2.084 9.090 1.00 1.25 H new ATOM 895 N LEU A 58 3.716 0.081 9.078 1.00 1.16 N ATOM 896 CA LEU A 58 3.085 1.217 8.389 1.00 1.18 C ATOM 897 C LEU A 58 2.196 2.026 9.342 1.00 1.48 C ATOM 898 O LEU A 58 2.360 3.240 9.448 1.00 1.68 O ATOM 899 CB LEU A 58 2.269 0.711 7.180 1.00 1.15 C ATOM 900 CG LEU A 58 3.116 0.237 5.977 1.00 1.39 C ATOM 901 CD1 LEU A 58 2.251 -0.565 4.998 1.00 1.40 C ATOM 902 CD2 LEU A 58 3.728 1.415 5.222 1.00 1.78 C ATOM 0 H LEU A 58 3.508 -0.817 8.642 1.00 1.16 H new ATOM 0 HA LEU A 58 3.873 1.881 8.033 1.00 1.18 H new ATOM 0 HB2 LEU A 58 1.635 -0.113 7.507 1.00 1.15 H new ATOM 0 HB3 LEU A 58 1.606 1.510 6.847 1.00 1.15 H new ATOM 0 HG LEU A 58 3.916 -0.387 6.376 1.00 1.39 H new ATOM 0 HD11 LEU A 58 2.862 -0.892 4.156 1.00 1.40 H new ATOM 0 HD12 LEU A 58 1.838 -1.436 5.507 1.00 1.40 H new ATOM 0 HD13 LEU A 58 1.437 0.062 4.634 1.00 1.40 H new ATOM 0 HD21 LEU A 58 4.316 1.043 4.383 1.00 1.78 H new ATOM 0 HD22 LEU A 58 2.933 2.061 4.850 1.00 1.78 H new ATOM 0 HD23 LEU A 58 4.372 1.983 5.894 1.00 1.78 H new ATOM 914 N LYS A 59 1.297 1.381 10.095 1.00 1.19 N ATOM 915 CA LYS A 59 0.511 2.086 11.112 1.00 1.20 C ATOM 916 C LYS A 59 1.390 2.644 12.253 1.00 1.42 C ATOM 917 O LYS A 59 1.117 3.744 12.737 1.00 1.47 O ATOM 918 CB LYS A 59 -0.713 1.237 11.536 1.00 1.25 C ATOM 919 CG LYS A 59 -0.544 0.120 12.575 1.00 1.25 C ATOM 920 CD LYS A 59 -0.212 0.597 13.990 1.00 1.63 C ATOM 921 CE LYS A 59 -0.842 -0.271 15.083 1.00 1.37 C ATOM 922 NZ LYS A 59 -2.141 0.285 15.527 1.00 1.61 N ATOM 0 H LYS A 59 1.098 0.383 10.020 1.00 1.19 H new ATOM 0 HA LYS A 59 0.084 2.991 10.680 1.00 1.20 H new ATOM 0 HB2 LYS A 59 -1.469 1.924 11.917 1.00 1.25 H new ATOM 0 HB3 LYS A 59 -1.122 0.782 10.634 1.00 1.25 H new ATOM 0 HG2 LYS A 59 -1.464 -0.464 12.611 1.00 1.25 H new ATOM 0 HG3 LYS A 59 0.247 -0.551 12.239 1.00 1.25 H new ATOM 0 HD2 LYS A 59 0.870 0.604 14.119 1.00 1.63 H new ATOM 0 HD3 LYS A 59 -0.554 1.625 14.109 1.00 1.63 H new ATOM 0 HE2 LYS A 59 -0.986 -1.284 14.708 1.00 1.37 H new ATOM 0 HE3 LYS A 59 -0.163 -0.339 15.933 1.00 1.37 H new ATOM 0 HZ1 LYS A 59 -2.463 -0.221 16.377 1.00 1.61 H new ATOM 0 HZ2 LYS A 59 -2.029 1.295 15.747 1.00 1.61 H new ATOM 0 HZ3 LYS A 59 -2.844 0.171 14.769 1.00 1.61 H new ATOM 936 N ARG A 60 2.470 1.953 12.645 1.00 1.28 N ATOM 937 CA ARG A 60 3.410 2.409 13.685 1.00 1.30 C ATOM 938 C ARG A 60 4.222 3.636 13.267 1.00 1.66 C ATOM 939 O ARG A 60 4.623 4.398 14.144 1.00 1.67 O ATOM 940 CB ARG A 60 4.372 1.285 14.107 1.00 1.28 C ATOM 941 CG ARG A 60 3.932 0.540 15.375 1.00 1.42 C ATOM 942 CD ARG A 60 4.104 1.426 16.621 1.00 2.15 C ATOM 943 NE ARG A 60 4.038 0.642 17.870 1.00 2.18 N ATOM 944 CZ ARG A 60 3.009 0.558 18.710 1.00 3.22 C ATOM 945 NH1 ARG A 60 1.851 1.134 18.477 1.00 4.31 N ATOM 946 NH2 ARG A 60 3.134 -0.121 19.830 1.00 4.17 N ATOM 0 H ARG A 60 2.721 1.049 12.244 1.00 1.28 H new ATOM 0 HA ARG A 60 2.786 2.695 14.532 1.00 1.30 H new ATOM 0 HB2 ARG A 60 4.462 0.570 13.289 1.00 1.28 H new ATOM 0 HB3 ARG A 60 5.363 1.709 14.271 1.00 1.28 H new ATOM 0 HG2 ARG A 60 2.889 0.238 15.280 1.00 1.42 H new ATOM 0 HG3 ARG A 60 4.519 -0.371 15.488 1.00 1.42 H new ATOM 0 HD2 ARG A 60 5.062 1.944 16.568 1.00 2.15 H new ATOM 0 HD3 ARG A 60 3.328 2.191 16.632 1.00 2.15 H new ATOM 0 HE ARG A 60 4.871 0.107 18.116 1.00 2.18 H new ATOM 0 HH11 ARG A 60 1.712 1.673 17.622 1.00 4.31 H new ATOM 0 HH12 ARG A 60 1.091 1.042 19.151 1.00 4.31 H new ATOM 0 HH21 ARG A 60 4.017 -0.581 20.052 1.00 4.17 H new ATOM 0 HH22 ARG A 60 2.348 -0.188 20.476 1.00 4.17 H new ATOM 960 N ALA A 61 4.459 3.849 11.971 1.00 1.30 N ATOM 961 CA ALA A 61 5.060 5.081 11.474 1.00 1.32 C ATOM 962 C ALA A 61 4.126 6.267 11.730 1.00 1.37 C ATOM 963 O ALA A 61 4.527 7.219 12.384 1.00 1.33 O ATOM 964 CB ALA A 61 5.429 4.914 9.995 1.00 1.38 C ATOM 0 H ALA A 61 4.239 3.172 11.241 1.00 1.30 H new ATOM 0 HA ALA A 61 5.983 5.293 12.013 1.00 1.32 H new ATOM 0 HB1 ALA A 61 5.878 5.836 9.626 1.00 1.38 H new ATOM 0 HB2 ALA A 61 6.141 4.095 9.888 1.00 1.38 H new ATOM 0 HB3 ALA A 61 4.531 4.692 9.419 1.00 1.38 H new ATOM 970 N TYR A 62 2.857 6.170 11.314 1.00 1.36 N ATOM 971 CA TYR A 62 1.810 7.170 11.565 1.00 1.40 C ATOM 972 C TYR A 62 1.578 7.462 13.062 1.00 1.54 C ATOM 973 O TYR A 62 1.460 8.625 13.430 1.00 1.71 O ATOM 974 CB TYR A 62 0.520 6.715 10.860 1.00 1.53 C ATOM 975 CG TYR A 62 -0.718 7.528 11.203 1.00 1.86 C ATOM 976 CD1 TYR A 62 -1.516 7.146 12.299 1.00 2.37 C ATOM 977 CD2 TYR A 62 -1.076 8.656 10.439 1.00 2.72 C ATOM 978 CE1 TYR A 62 -2.655 7.893 12.640 1.00 3.04 C ATOM 979 CE2 TYR A 62 -2.237 9.391 10.754 1.00 3.10 C ATOM 980 CZ TYR A 62 -3.021 9.016 11.871 1.00 3.04 C ATOM 981 OH TYR A 62 -4.134 9.724 12.207 1.00 3.76 O ATOM 0 H TYR A 62 2.520 5.370 10.778 1.00 1.36 H new ATOM 0 HA TYR A 62 2.144 8.122 11.152 1.00 1.40 H new ATOM 0 HB2 TYR A 62 0.678 6.758 9.782 1.00 1.53 H new ATOM 0 HB3 TYR A 62 0.333 5.671 11.114 1.00 1.53 H new ATOM 0 HD1 TYR A 62 -1.251 6.275 12.880 1.00 2.37 H new ATOM 0 HD2 TYR A 62 -0.458 8.959 9.607 1.00 2.72 H new ATOM 0 HE1 TYR A 62 -3.252 7.606 13.493 1.00 3.04 H new ATOM 0 HE2 TYR A 62 -2.527 10.236 10.146 1.00 3.10 H new ATOM 0 HH TYR A 62 -4.249 10.469 11.581 1.00 3.76 H new ATOM 991 N GLU A 63 1.591 6.434 13.922 1.00 1.28 N ATOM 992 CA GLU A 63 1.503 6.578 15.385 1.00 1.41 C ATOM 993 C GLU A 63 2.721 7.311 15.983 1.00 1.66 C ATOM 994 O GLU A 63 2.668 7.782 17.116 1.00 1.92 O ATOM 995 CB GLU A 63 1.363 5.191 16.037 1.00 1.54 C ATOM 996 CG GLU A 63 -0.017 4.544 15.814 1.00 1.56 C ATOM 997 CD GLU A 63 -0.077 3.089 16.287 1.00 2.00 C ATOM 998 OE1 GLU A 63 0.953 2.379 16.267 1.00 2.88 O ATOM 999 OE2 GLU A 63 -1.186 2.593 16.590 1.00 2.46 O ATOM 0 H GLU A 63 1.664 5.463 13.618 1.00 1.28 H new ATOM 0 HA GLU A 63 0.623 7.186 15.596 1.00 1.41 H new ATOM 0 HB2 GLU A 63 2.134 4.531 15.638 1.00 1.54 H new ATOM 0 HB3 GLU A 63 1.544 5.282 17.108 1.00 1.54 H new ATOM 0 HG2 GLU A 63 -0.774 5.124 16.342 1.00 1.56 H new ATOM 0 HG3 GLU A 63 -0.265 4.586 14.754 1.00 1.56 H new ATOM 1006 N LYS A 64 3.832 7.384 15.244 1.00 1.36 N ATOM 1007 CA LYS A 64 5.064 8.072 15.637 1.00 1.45 C ATOM 1008 C LYS A 64 5.293 9.396 14.863 1.00 1.72 C ATOM 1009 O LYS A 64 6.268 10.104 15.127 1.00 2.08 O ATOM 1010 CB LYS A 64 6.192 7.037 15.464 1.00 1.32 C ATOM 1011 CG LYS A 64 7.486 7.399 16.205 1.00 1.98 C ATOM 1012 CD LYS A 64 8.446 6.202 16.242 1.00 2.66 C ATOM 1013 CE LYS A 64 9.681 6.562 17.073 1.00 3.50 C ATOM 1014 NZ LYS A 64 10.670 5.461 17.089 1.00 4.46 N ATOM 0 H LYS A 64 3.900 6.950 14.323 1.00 1.36 H new ATOM 0 HA LYS A 64 5.018 8.410 16.672 1.00 1.45 H new ATOM 0 HB2 LYS A 64 5.840 6.068 15.819 1.00 1.32 H new ATOM 0 HB3 LYS A 64 6.411 6.927 14.402 1.00 1.32 H new ATOM 0 HG2 LYS A 64 7.969 8.243 15.712 1.00 1.98 H new ATOM 0 HG3 LYS A 64 7.252 7.715 17.222 1.00 1.98 H new ATOM 0 HD2 LYS A 64 7.946 5.334 16.672 1.00 2.66 H new ATOM 0 HD3 LYS A 64 8.743 5.929 15.229 1.00 2.66 H new ATOM 0 HE2 LYS A 64 10.144 7.461 16.666 1.00 3.50 H new ATOM 0 HE3 LYS A 64 9.378 6.794 18.094 1.00 3.50 H new ATOM 0 HZ1 LYS A 64 10.902 5.217 18.073 1.00 4.46 H new ATOM 0 HZ2 LYS A 64 10.270 4.628 16.611 1.00 4.46 H new ATOM 0 HZ3 LYS A 64 11.534 5.763 16.594 1.00 4.46 H new ATOM 1028 N LEU A 65 4.413 9.758 13.923 1.00 1.59 N ATOM 1029 CA LEU A 65 4.468 11.025 13.187 1.00 1.76 C ATOM 1030 C LEU A 65 3.873 12.172 14.030 1.00 2.11 C ATOM 1031 O LEU A 65 2.891 11.952 14.737 1.00 2.23 O ATOM 1032 CB LEU A 65 3.718 10.893 11.840 1.00 1.64 C ATOM 1033 CG LEU A 65 4.490 10.190 10.700 1.00 2.05 C ATOM 1034 CD1 LEU A 65 3.612 10.139 9.442 1.00 2.33 C ATOM 1035 CD2 LEU A 65 5.821 10.864 10.339 1.00 2.38 C ATOM 0 H LEU A 65 3.628 9.167 13.648 1.00 1.59 H new ATOM 0 HA LEU A 65 5.512 11.262 12.982 1.00 1.76 H new ATOM 0 HB2 LEU A 65 2.791 10.347 12.015 1.00 1.64 H new ATOM 0 HB3 LEU A 65 3.440 11.891 11.502 1.00 1.64 H new ATOM 0 HG LEU A 65 4.727 9.192 11.068 1.00 2.05 H new ATOM 0 HD11 LEU A 65 4.156 9.643 8.638 1.00 2.33 H new ATOM 0 HD12 LEU A 65 2.699 9.584 9.658 1.00 2.33 H new ATOM 0 HD13 LEU A 65 3.356 11.153 9.135 1.00 2.33 H new ATOM 0 HD21 LEU A 65 6.301 10.311 9.532 1.00 2.38 H new ATOM 0 HD22 LEU A 65 5.634 11.888 10.017 1.00 2.38 H new ATOM 0 HD23 LEU A 65 6.474 10.871 11.212 1.00 2.38 H new ATOM 1047 N PRO A 66 4.409 13.406 13.939 1.00 2.23 N ATOM 1048 CA PRO A 66 3.817 14.587 14.552 1.00 2.48 C ATOM 1049 C PRO A 66 2.533 14.985 13.810 1.00 2.60 C ATOM 1050 O PRO A 66 2.353 14.608 12.648 1.00 2.45 O ATOM 1051 CB PRO A 66 4.878 15.685 14.437 1.00 2.78 C ATOM 1052 CG PRO A 66 5.627 15.317 13.161 1.00 2.70 C ATOM 1053 CD PRO A 66 5.565 13.791 13.147 1.00 2.36 C ATOM 0 HA PRO A 66 3.538 14.412 15.591 1.00 2.48 H new ATOM 0 HB2 PRO A 66 4.427 16.675 14.367 1.00 2.78 H new ATOM 0 HB3 PRO A 66 5.540 15.697 15.303 1.00 2.78 H new ATOM 0 HG2 PRO A 66 5.154 15.747 12.278 1.00 2.70 H new ATOM 0 HG3 PRO A 66 6.655 15.678 13.179 1.00 2.70 H new ATOM 0 HD2 PRO A 66 5.475 13.418 12.127 1.00 2.36 H new ATOM 0 HD3 PRO A 66 6.477 13.364 13.563 1.00 2.36 H new ATOM 1061 N PRO A 67 1.672 15.824 14.416 1.00 2.92 N ATOM 1062 CA PRO A 67 0.452 16.281 13.771 1.00 3.18 C ATOM 1063 C PRO A 67 0.712 17.030 12.462 1.00 3.46 C ATOM 1064 O PRO A 67 -0.107 16.928 11.554 1.00 3.53 O ATOM 1065 CB PRO A 67 -0.279 17.143 14.807 1.00 3.57 C ATOM 1066 CG PRO A 67 0.823 17.573 15.773 1.00 3.57 C ATOM 1067 CD PRO A 67 1.770 16.375 15.761 1.00 3.14 C ATOM 0 HA PRO A 67 -0.161 15.432 13.467 1.00 3.18 H new ATOM 0 HB2 PRO A 67 -0.761 18.003 14.342 1.00 3.57 H new ATOM 0 HB3 PRO A 67 -1.059 16.578 15.317 1.00 3.57 H new ATOM 0 HG2 PRO A 67 1.320 18.484 15.440 1.00 3.57 H new ATOM 0 HG3 PRO A 67 0.432 17.769 16.771 1.00 3.57 H new ATOM 0 HD2 PRO A 67 2.792 16.679 15.989 1.00 3.14 H new ATOM 0 HD3 PRO A 67 1.482 15.638 16.510 1.00 3.14 H new ATOM 1075 N LYS A 68 1.865 17.700 12.293 1.00 3.38 N ATOM 1076 CA LYS A 68 2.137 18.432 11.042 1.00 3.56 C ATOM 1077 C LYS A 68 2.565 17.533 9.872 1.00 3.45 C ATOM 1078 O LYS A 68 2.417 17.913 8.707 1.00 3.67 O ATOM 1079 CB LYS A 68 3.102 19.613 11.294 1.00 3.84 C ATOM 1080 CG LYS A 68 2.409 20.918 11.754 1.00 3.92 C ATOM 1081 CD LYS A 68 1.273 21.300 10.791 1.00 3.85 C ATOM 1082 CE LYS A 68 0.775 22.746 10.780 1.00 4.36 C ATOM 1083 NZ LYS A 68 -0.335 22.850 9.795 1.00 4.57 N ATOM 0 H LYS A 68 2.609 17.751 12.989 1.00 3.38 H new ATOM 0 HA LYS A 68 1.187 18.852 10.712 1.00 3.56 H new ATOM 0 HB2 LYS A 68 3.830 19.317 12.049 1.00 3.84 H new ATOM 0 HB3 LYS A 68 3.657 19.814 10.378 1.00 3.84 H new ATOM 0 HG2 LYS A 68 2.011 20.789 12.760 1.00 3.92 H new ATOM 0 HG3 LYS A 68 3.139 21.726 11.801 1.00 3.92 H new ATOM 0 HD2 LYS A 68 1.600 21.055 9.780 1.00 3.85 H new ATOM 0 HD3 LYS A 68 0.421 20.658 11.014 1.00 3.85 H new ATOM 0 HE2 LYS A 68 0.430 23.037 11.772 1.00 4.36 H new ATOM 0 HE3 LYS A 68 1.585 23.425 10.512 1.00 4.36 H new ATOM 0 HZ1 LYS A 68 -0.677 23.831 9.760 1.00 4.57 H new ATOM 0 HZ2 LYS A 68 0.008 22.569 8.854 1.00 4.57 H new ATOM 0 HZ3 LYS A 68 -1.113 22.222 10.081 1.00 4.57 H new ATOM 1097 N ALA A 69 3.033 16.320 10.163 1.00 2.88 N ATOM 1098 CA ALA A 69 3.026 15.218 9.211 1.00 2.41 C ATOM 1099 C ALA A 69 1.623 14.618 9.025 1.00 2.12 C ATOM 1100 O ALA A 69 1.197 14.464 7.888 1.00 1.95 O ATOM 1101 CB ALA A 69 4.069 14.193 9.645 1.00 2.22 C ATOM 0 H ALA A 69 3.429 16.076 11.071 1.00 2.88 H new ATOM 0 HA ALA A 69 3.297 15.588 8.222 1.00 2.41 H new ATOM 0 HB1 ALA A 69 4.076 13.361 8.941 1.00 2.22 H new ATOM 0 HB2 ALA A 69 5.053 14.661 9.663 1.00 2.22 H new ATOM 0 HB3 ALA A 69 3.824 13.824 10.641 1.00 2.22 H new ATOM 1107 N GLN A 70 0.876 14.312 10.097 1.00 2.13 N ATOM 1108 CA GLN A 70 -0.369 13.542 9.973 1.00 2.01 C ATOM 1109 C GLN A 70 -1.419 14.217 9.068 1.00 2.13 C ATOM 1110 O GLN A 70 -2.124 13.498 8.359 1.00 2.11 O ATOM 1111 CB GLN A 70 -0.899 13.132 11.366 1.00 2.21 C ATOM 1112 CG GLN A 70 -2.059 13.983 11.903 1.00 2.54 C ATOM 1113 CD GLN A 70 -2.481 13.577 13.313 1.00 2.82 C ATOM 1114 OE1 GLN A 70 -2.204 14.265 14.278 1.00 4.06 O ATOM 1115 NE2 GLN A 70 -3.150 12.461 13.517 1.00 2.69 N ATOM 0 H GLN A 70 1.111 14.584 11.052 1.00 2.13 H new ATOM 0 HA GLN A 70 -0.135 12.618 9.444 1.00 2.01 H new ATOM 0 HB2 GLN A 70 -1.223 12.092 11.322 1.00 2.21 H new ATOM 0 HB3 GLN A 70 -0.075 13.179 12.078 1.00 2.21 H new ATOM 0 HG2 GLN A 70 -1.765 15.033 11.904 1.00 2.54 H new ATOM 0 HG3 GLN A 70 -2.913 13.892 11.232 1.00 2.54 H new ATOM 0 HE21 GLN A 70 -3.397 11.863 12.728 1.00 2.69 H new ATOM 0 HE22 GLN A 70 -3.421 12.195 14.464 1.00 2.69 H new ATOM 1124 N GLU A 71 -1.467 15.563 9.000 1.00 2.32 N ATOM 1125 CA GLU A 71 -2.373 16.342 8.118 1.00 2.39 C ATOM 1126 C GLU A 71 -2.445 15.796 6.689 1.00 2.01 C ATOM 1127 O GLU A 71 -3.486 15.868 6.032 1.00 2.09 O ATOM 1128 CB GLU A 71 -1.935 17.816 7.940 1.00 2.80 C ATOM 1129 CG GLU A 71 -1.352 18.507 9.163 1.00 3.15 C ATOM 1130 CD GLU A 71 -1.223 20.018 8.958 1.00 3.76 C ATOM 1131 OE1 GLU A 71 -0.273 20.476 8.277 1.00 4.81 O ATOM 1132 OE2 GLU A 71 -1.986 20.777 9.585 1.00 3.75 O ATOM 0 H GLU A 71 -0.864 16.157 9.569 1.00 2.32 H new ATOM 0 HA GLU A 71 -3.331 16.261 8.632 1.00 2.39 H new ATOM 0 HB2 GLU A 71 -1.195 17.857 7.141 1.00 2.80 H new ATOM 0 HB3 GLU A 71 -2.799 18.390 7.604 1.00 2.80 H new ATOM 0 HG2 GLU A 71 -1.986 18.311 10.027 1.00 3.15 H new ATOM 0 HG3 GLU A 71 -0.371 18.086 9.385 1.00 3.15 H new ATOM 1139 N ARG A 72 -1.305 15.291 6.198 1.00 1.67 N ATOM 1140 CA ARG A 72 -1.174 14.801 4.831 1.00 1.41 C ATOM 1141 C ARG A 72 -1.193 13.274 4.680 1.00 1.46 C ATOM 1142 O ARG A 72 -0.963 12.814 3.565 1.00 1.65 O ATOM 1143 CB ARG A 72 0.015 15.460 4.108 1.00 1.79 C ATOM 1144 CG ARG A 72 1.374 15.207 4.776 1.00 2.07 C ATOM 1145 CD ARG A 72 1.828 16.449 5.549 1.00 1.76 C ATOM 1146 NE ARG A 72 2.624 17.300 4.660 1.00 2.66 N ATOM 1147 CZ ARG A 72 3.078 18.525 4.834 1.00 3.02 C ATOM 1148 NH1 ARG A 72 2.760 19.266 5.876 1.00 3.26 N ATOM 1149 NH2 ARG A 72 3.904 18.978 3.918 1.00 3.97 N ATOM 0 H ARG A 72 -0.448 15.213 6.745 1.00 1.67 H new ATOM 0 HA ARG A 72 -2.088 15.116 4.327 1.00 1.41 H new ATOM 0 HB2 ARG A 72 0.052 15.092 3.083 1.00 1.79 H new ATOM 0 HB3 ARG A 72 -0.157 16.535 4.055 1.00 1.79 H new ATOM 0 HG2 ARG A 72 1.301 14.356 5.453 1.00 2.07 H new ATOM 0 HG3 ARG A 72 2.116 14.950 4.020 1.00 2.07 H new ATOM 0 HD2 ARG A 72 0.963 16.998 5.921 1.00 1.76 H new ATOM 0 HD3 ARG A 72 2.418 16.157 6.418 1.00 1.76 H new ATOM 0 HE ARG A 72 2.865 16.877 3.764 1.00 2.66 H new ATOM 0 HH11 ARG A 72 2.136 18.896 6.593 1.00 3.26 H new ATOM 0 HH12 ARG A 72 3.138 20.209 5.965 1.00 3.26 H new ATOM 0 HH21 ARG A 72 4.161 18.388 3.126 1.00 3.97 H new ATOM 0 HH22 ARG A 72 4.288 19.919 3.999 1.00 3.97 H new ATOM 1163 N VAL A 73 -1.457 12.475 5.724 1.00 1.20 N ATOM 1164 CA VAL A 73 -1.340 10.999 5.638 1.00 1.14 C ATOM 1165 C VAL A 73 -2.689 10.327 5.342 1.00 1.59 C ATOM 1166 O VAL A 73 -3.621 10.372 6.143 1.00 1.87 O ATOM 1167 CB VAL A 73 -0.670 10.355 6.878 1.00 1.19 C ATOM 1168 CG1 VAL A 73 -0.520 8.830 6.697 1.00 1.60 C ATOM 1169 CG2 VAL A 73 0.729 10.946 7.119 1.00 1.99 C ATOM 0 H VAL A 73 -1.753 12.818 6.638 1.00 1.20 H new ATOM 0 HA VAL A 73 -0.674 10.819 4.794 1.00 1.14 H new ATOM 0 HB VAL A 73 -1.314 10.566 7.731 1.00 1.19 H new ATOM 0 HG11 VAL A 73 -0.047 8.403 7.582 1.00 1.60 H new ATOM 0 HG12 VAL A 73 -1.504 8.381 6.560 1.00 1.60 H new ATOM 0 HG13 VAL A 73 0.097 8.626 5.822 1.00 1.60 H new ATOM 0 HG21 VAL A 73 1.176 10.476 7.995 1.00 1.99 H new ATOM 0 HG22 VAL A 73 1.357 10.761 6.248 1.00 1.99 H new ATOM 0 HG23 VAL A 73 0.647 12.020 7.285 1.00 1.99 H new ATOM 1179 N GLN A 74 -2.758 9.637 4.203 1.00 1.44 N ATOM 1180 CA GLN A 74 -3.734 8.586 3.911 1.00 1.47 C ATOM 1181 C GLN A 74 -3.002 7.239 3.769 1.00 1.32 C ATOM 1182 O GLN A 74 -1.805 7.199 3.495 1.00 1.41 O ATOM 1183 CB GLN A 74 -4.500 8.915 2.609 1.00 1.65 C ATOM 1184 CG GLN A 74 -5.886 9.551 2.800 1.00 2.12 C ATOM 1185 CD GLN A 74 -5.873 11.041 3.140 1.00 3.04 C ATOM 1186 OE1 GLN A 74 -6.076 11.898 2.300 1.00 3.86 O ATOM 1187 NE2 GLN A 74 -5.680 11.424 4.383 1.00 3.87 N ATOM 0 H GLN A 74 -2.112 9.800 3.430 1.00 1.44 H new ATOM 0 HA GLN A 74 -4.453 8.524 4.728 1.00 1.47 H new ATOM 0 HB2 GLN A 74 -3.889 9.590 2.009 1.00 1.65 H new ATOM 0 HB3 GLN A 74 -4.617 7.996 2.035 1.00 1.65 H new ATOM 0 HG2 GLN A 74 -6.464 9.407 1.887 1.00 2.12 H new ATOM 0 HG3 GLN A 74 -6.407 9.017 3.594 1.00 2.12 H new ATOM 0 HE21 GLN A 74 -5.507 10.729 5.110 1.00 3.87 H new ATOM 0 HE22 GLN A 74 -5.703 12.416 4.620 1.00 3.87 H new ATOM 1196 N VAL A 75 -3.737 6.130 3.896 1.00 1.37 N ATOM 1197 CA VAL A 75 -3.255 4.779 3.557 1.00 1.26 C ATOM 1198 C VAL A 75 -4.371 4.045 2.822 1.00 1.40 C ATOM 1199 O VAL A 75 -5.516 4.047 3.282 1.00 1.64 O ATOM 1200 CB VAL A 75 -2.831 3.946 4.792 1.00 1.32 C ATOM 1201 CG1 VAL A 75 -2.173 2.627 4.339 1.00 1.30 C ATOM 1202 CG2 VAL A 75 -1.870 4.705 5.720 1.00 1.55 C ATOM 0 H VAL A 75 -4.697 6.141 4.241 1.00 1.37 H new ATOM 0 HA VAL A 75 -2.365 4.895 2.939 1.00 1.26 H new ATOM 0 HB VAL A 75 -3.738 3.740 5.360 1.00 1.32 H new ATOM 0 HG11 VAL A 75 -1.878 2.048 5.214 1.00 1.30 H new ATOM 0 HG12 VAL A 75 -2.883 2.051 3.745 1.00 1.30 H new ATOM 0 HG13 VAL A 75 -1.292 2.848 3.737 1.00 1.30 H new ATOM 0 HG21 VAL A 75 -1.607 4.072 6.568 1.00 1.55 H new ATOM 0 HG22 VAL A 75 -0.966 4.969 5.171 1.00 1.55 H new ATOM 0 HG23 VAL A 75 -2.354 5.613 6.081 1.00 1.55 H new ATOM 1212 N ILE A 76 -4.030 3.427 1.689 1.00 1.14 N ATOM 1213 CA ILE A 76 -4.964 2.667 0.848 1.00 1.10 C ATOM 1214 C ILE A 76 -4.354 1.290 0.564 1.00 1.16 C ATOM 1215 O ILE A 76 -3.300 1.158 -0.056 1.00 1.36 O ATOM 1216 CB ILE A 76 -5.283 3.446 -0.452 1.00 1.19 C ATOM 1217 CG1 ILE A 76 -5.929 4.832 -0.211 1.00 1.38 C ATOM 1218 CG2 ILE A 76 -6.158 2.607 -1.400 1.00 1.20 C ATOM 1219 CD1 ILE A 76 -7.321 4.825 0.419 1.00 1.93 C ATOM 0 H ILE A 76 -3.079 3.440 1.321 1.00 1.14 H new ATOM 0 HA ILE A 76 -5.913 2.527 1.366 1.00 1.10 H new ATOM 0 HB ILE A 76 -4.318 3.635 -0.921 1.00 1.19 H new ATOM 0 HG12 ILE A 76 -5.266 5.413 0.430 1.00 1.38 H new ATOM 0 HG13 ILE A 76 -5.987 5.354 -1.166 1.00 1.38 H new ATOM 0 HG21 ILE A 76 -6.366 3.179 -2.304 1.00 1.20 H new ATOM 0 HG22 ILE A 76 -5.632 1.689 -1.664 1.00 1.20 H new ATOM 0 HG23 ILE A 76 -7.096 2.358 -0.904 1.00 1.20 H new ATOM 0 HD11 ILE A 76 -7.671 5.850 0.539 1.00 1.93 H new ATOM 0 HD12 ILE A 76 -8.010 4.280 -0.226 1.00 1.93 H new ATOM 0 HD13 ILE A 76 -7.277 4.340 1.394 1.00 1.93 H new ATOM 1231 N PHE A 77 -5.041 0.251 1.017 1.00 0.98 N ATOM 1232 CA PHE A 77 -4.658 -1.139 0.835 1.00 0.93 C ATOM 1233 C PHE A 77 -5.412 -1.695 -0.374 1.00 1.64 C ATOM 1234 O PHE A 77 -6.547 -1.303 -0.642 1.00 2.18 O ATOM 1235 CB PHE A 77 -4.986 -1.908 2.127 1.00 1.00 C ATOM 1236 CG PHE A 77 -4.854 -3.412 2.001 1.00 1.04 C ATOM 1237 CD1 PHE A 77 -3.581 -4.006 1.970 1.00 2.08 C ATOM 1238 CD2 PHE A 77 -6.003 -4.215 1.868 1.00 1.97 C ATOM 1239 CE1 PHE A 77 -3.453 -5.394 1.801 1.00 1.83 C ATOM 1240 CE2 PHE A 77 -5.878 -5.603 1.698 1.00 2.04 C ATOM 1241 CZ PHE A 77 -4.606 -6.195 1.667 1.00 1.15 C ATOM 0 H PHE A 77 -5.911 0.358 1.539 1.00 0.98 H new ATOM 0 HA PHE A 77 -3.590 -1.242 0.643 1.00 0.93 H new ATOM 0 HB2 PHE A 77 -4.325 -1.561 2.921 1.00 1.00 H new ATOM 0 HB3 PHE A 77 -6.004 -1.668 2.432 1.00 1.00 H new ATOM 0 HD1 PHE A 77 -2.698 -3.393 2.076 1.00 2.08 H new ATOM 0 HD2 PHE A 77 -6.983 -3.762 1.897 1.00 1.97 H new ATOM 0 HE1 PHE A 77 -2.473 -5.847 1.774 1.00 1.83 H new ATOM 0 HE2 PHE A 77 -6.761 -6.215 1.591 1.00 2.04 H new ATOM 0 HZ PHE A 77 -4.510 -7.263 1.541 1.00 1.15 H new ATOM 1251 N VAL A 78 -4.788 -2.617 -1.098 1.00 0.62 N ATOM 1252 CA VAL A 78 -5.401 -3.314 -2.230 1.00 0.73 C ATOM 1253 C VAL A 78 -5.188 -4.816 -2.092 1.00 1.03 C ATOM 1254 O VAL A 78 -4.139 -5.267 -1.637 1.00 1.40 O ATOM 1255 CB VAL A 78 -4.897 -2.815 -3.605 1.00 0.86 C ATOM 1256 CG1 VAL A 78 -5.498 -1.451 -3.956 1.00 2.14 C ATOM 1257 CG2 VAL A 78 -3.369 -2.710 -3.703 1.00 1.97 C ATOM 0 H VAL A 78 -3.828 -2.908 -0.915 1.00 0.62 H new ATOM 0 HA VAL A 78 -6.467 -3.088 -2.200 1.00 0.73 H new ATOM 0 HB VAL A 78 -5.227 -3.573 -4.315 1.00 0.86 H new ATOM 0 HG11 VAL A 78 -5.124 -1.128 -4.928 1.00 2.14 H new ATOM 0 HG12 VAL A 78 -6.584 -1.531 -3.993 1.00 2.14 H new ATOM 0 HG13 VAL A 78 -5.214 -0.722 -3.197 1.00 2.14 H new ATOM 0 HG21 VAL A 78 -3.092 -2.354 -4.695 1.00 1.97 H new ATOM 0 HG22 VAL A 78 -3.003 -2.011 -2.951 1.00 1.97 H new ATOM 0 HG23 VAL A 78 -2.925 -3.691 -3.532 1.00 1.97 H new ATOM 1267 N SER A 79 -6.191 -5.594 -2.490 1.00 0.68 N ATOM 1268 CA SER A 79 -5.998 -7.014 -2.763 1.00 0.63 C ATOM 1269 C SER A 79 -5.337 -7.279 -4.134 1.00 0.77 C ATOM 1270 O SER A 79 -4.910 -6.355 -4.825 1.00 1.43 O ATOM 1271 CB SER A 79 -7.289 -7.805 -2.579 1.00 1.04 C ATOM 1272 OG SER A 79 -6.923 -9.158 -2.376 1.00 2.78 O ATOM 0 H SER A 79 -7.146 -5.264 -2.631 1.00 0.68 H new ATOM 0 HA SER A 79 -5.290 -7.378 -2.018 1.00 0.63 H new ATOM 0 HB2 SER A 79 -7.854 -7.427 -1.727 1.00 1.04 H new ATOM 0 HB3 SER A 79 -7.929 -7.707 -3.456 1.00 1.04 H new ATOM 0 HG SER A 79 -7.019 -9.384 -1.427 1.00 2.78 H new ATOM 1278 N VAL A 80 -5.216 -8.555 -4.504 1.00 0.66 N ATOM 1279 CA VAL A 80 -4.588 -9.017 -5.756 1.00 0.70 C ATOM 1280 C VAL A 80 -5.210 -10.304 -6.329 1.00 1.23 C ATOM 1281 O VAL A 80 -5.102 -10.522 -7.535 1.00 1.41 O ATOM 1282 CB VAL A 80 -3.052 -9.133 -5.586 1.00 0.72 C ATOM 1283 CG1 VAL A 80 -2.612 -10.395 -4.821 1.00 2.34 C ATOM 1284 CG2 VAL A 80 -2.301 -9.081 -6.926 1.00 2.44 C ATOM 0 H VAL A 80 -5.561 -9.323 -3.928 1.00 0.66 H new ATOM 0 HA VAL A 80 -4.794 -8.253 -6.506 1.00 0.70 H new ATOM 0 HB VAL A 80 -2.786 -8.260 -4.990 1.00 0.72 H new ATOM 0 HG11 VAL A 80 -1.525 -10.411 -4.739 1.00 2.34 H new ATOM 0 HG12 VAL A 80 -3.051 -10.387 -3.823 1.00 2.34 H new ATOM 0 HG13 VAL A 80 -2.948 -11.282 -5.358 1.00 2.34 H new ATOM 0 HG21 VAL A 80 -1.229 -9.167 -6.746 1.00 2.44 H new ATOM 0 HG22 VAL A 80 -2.630 -9.905 -7.559 1.00 2.44 H new ATOM 0 HG23 VAL A 80 -2.511 -8.134 -7.424 1.00 2.44 H new ATOM 1294 N ASP A 81 -5.907 -11.122 -5.518 1.00 0.84 N ATOM 1295 CA ASP A 81 -6.742 -12.217 -6.034 1.00 0.89 C ATOM 1296 C ASP A 81 -8.243 -11.886 -5.896 1.00 1.01 C ATOM 1297 O ASP A 81 -8.832 -12.103 -4.831 1.00 1.24 O ATOM 1298 CB ASP A 81 -6.401 -13.557 -5.360 1.00 1.07 C ATOM 1299 CG ASP A 81 -7.160 -14.718 -6.029 1.00 1.80 C ATOM 1300 OD1 ASP A 81 -7.723 -14.528 -7.129 1.00 2.52 O ATOM 1301 OD2 ASP A 81 -7.156 -15.833 -5.466 1.00 2.83 O ATOM 0 H ASP A 81 -5.907 -11.043 -4.501 1.00 0.84 H new ATOM 0 HA ASP A 81 -6.521 -12.323 -7.096 1.00 0.89 H new ATOM 0 HB2 ASP A 81 -5.328 -13.736 -5.421 1.00 1.07 H new ATOM 0 HB3 ASP A 81 -6.657 -13.512 -4.302 1.00 1.07 H new ATOM 1306 N PRO A 82 -8.888 -11.365 -6.958 1.00 0.94 N ATOM 1307 CA PRO A 82 -10.294 -10.980 -6.924 1.00 1.09 C ATOM 1308 C PRO A 82 -11.245 -12.175 -7.059 1.00 1.33 C ATOM 1309 O PRO A 82 -12.411 -12.049 -6.696 1.00 1.60 O ATOM 1310 CB PRO A 82 -10.448 -10.001 -8.083 1.00 1.33 C ATOM 1311 CG PRO A 82 -9.457 -10.520 -9.117 1.00 1.31 C ATOM 1312 CD PRO A 82 -8.304 -11.012 -8.247 1.00 1.12 C ATOM 0 HA PRO A 82 -10.562 -10.538 -5.964 1.00 1.09 H new ATOM 0 HB2 PRO A 82 -11.467 -9.994 -8.471 1.00 1.33 H new ATOM 0 HB3 PRO A 82 -10.215 -8.980 -7.780 1.00 1.33 H new ATOM 0 HG2 PRO A 82 -9.882 -11.322 -9.720 1.00 1.31 H new ATOM 0 HG3 PRO A 82 -9.141 -9.737 -9.806 1.00 1.31 H new ATOM 0 HD2 PRO A 82 -7.814 -11.873 -8.701 1.00 1.12 H new ATOM 0 HD3 PRO A 82 -7.546 -10.238 -8.132 1.00 1.12 H new ATOM 1320 N GLU A 83 -10.771 -13.344 -7.513 1.00 1.08 N ATOM 1321 CA GLU A 83 -11.552 -14.590 -7.527 1.00 1.25 C ATOM 1322 C GLU A 83 -11.720 -15.188 -6.110 1.00 1.44 C ATOM 1323 O GLU A 83 -12.246 -16.294 -5.974 1.00 1.97 O ATOM 1324 CB GLU A 83 -10.871 -15.598 -8.476 1.00 1.33 C ATOM 1325 CG GLU A 83 -11.077 -15.283 -9.963 1.00 1.77 C ATOM 1326 CD GLU A 83 -10.030 -15.997 -10.818 1.00 2.18 C ATOM 1327 OE1 GLU A 83 -9.976 -17.248 -10.857 1.00 2.76 O ATOM 1328 OE2 GLU A 83 -9.161 -15.292 -11.385 1.00 2.82 O ATOM 0 H GLU A 83 -9.827 -13.453 -7.884 1.00 1.08 H new ATOM 0 HA GLU A 83 -12.556 -14.366 -7.888 1.00 1.25 H new ATOM 0 HB2 GLU A 83 -9.802 -15.619 -8.263 1.00 1.33 H new ATOM 0 HB3 GLU A 83 -11.257 -16.596 -8.269 1.00 1.33 H new ATOM 0 HG2 GLU A 83 -12.076 -15.592 -10.270 1.00 1.77 H new ATOM 0 HG3 GLU A 83 -11.013 -14.207 -10.124 1.00 1.77 H new ATOM 1335 N ARG A 84 -11.265 -14.482 -5.057 1.00 1.00 N ATOM 1336 CA ARG A 84 -11.128 -15.071 -3.722 1.00 1.12 C ATOM 1337 C ARG A 84 -11.132 -14.089 -2.543 1.00 1.30 C ATOM 1338 O ARG A 84 -11.638 -14.449 -1.482 1.00 1.53 O ATOM 1339 CB ARG A 84 -9.849 -15.927 -3.728 1.00 1.29 C ATOM 1340 CG ARG A 84 -9.933 -17.087 -2.736 1.00 1.80 C ATOM 1341 CD ARG A 84 -8.899 -18.157 -3.091 1.00 2.45 C ATOM 1342 NE ARG A 84 -9.078 -19.323 -2.214 1.00 3.19 N ATOM 1343 CZ ARG A 84 -8.760 -20.578 -2.502 1.00 4.34 C ATOM 1344 NH1 ARG A 84 -8.145 -20.936 -3.603 1.00 5.19 N ATOM 1345 NH2 ARG A 84 -9.082 -21.554 -1.689 1.00 5.30 N ATOM 0 H ARG A 84 -10.987 -13.502 -5.111 1.00 1.00 H new ATOM 0 HA ARG A 84 -12.025 -15.664 -3.543 1.00 1.12 H new ATOM 0 HB2 ARG A 84 -9.680 -16.319 -4.731 1.00 1.29 H new ATOM 0 HB3 ARG A 84 -8.992 -15.300 -3.482 1.00 1.29 H new ATOM 0 HG2 ARG A 84 -9.759 -16.723 -1.723 1.00 1.80 H new ATOM 0 HG3 ARG A 84 -10.934 -17.518 -2.752 1.00 1.80 H new ATOM 0 HD2 ARG A 84 -9.010 -18.453 -4.134 1.00 2.45 H new ATOM 0 HD3 ARG A 84 -7.892 -17.756 -2.979 1.00 2.45 H new ATOM 0 HE ARG A 84 -9.486 -19.150 -1.295 1.00 3.19 H new ATOM 0 HH11 ARG A 84 -7.885 -20.232 -4.294 1.00 5.19 H new ATOM 0 HH12 ARG A 84 -7.927 -21.918 -3.769 1.00 5.19 H new ATOM 0 HH21 ARG A 84 -9.583 -21.353 -0.824 1.00 5.30 H new ATOM 0 HH22 ARG A 84 -8.832 -22.515 -1.922 1.00 5.30 H new ATOM 1359 N ASP A 85 -10.580 -12.884 -2.675 1.00 0.95 N ATOM 1360 CA ASP A 85 -10.555 -11.861 -1.617 1.00 1.03 C ATOM 1361 C ASP A 85 -11.502 -10.694 -1.973 1.00 1.19 C ATOM 1362 O ASP A 85 -11.113 -9.809 -2.738 1.00 1.40 O ATOM 1363 CB ASP A 85 -9.109 -11.364 -1.437 1.00 1.15 C ATOM 1364 CG ASP A 85 -8.877 -10.563 -0.153 1.00 1.39 C ATOM 1365 OD1 ASP A 85 -9.705 -10.633 0.783 1.00 2.50 O ATOM 1366 OD2 ASP A 85 -7.809 -9.910 -0.083 1.00 1.88 O ATOM 0 H ASP A 85 -10.127 -12.580 -3.537 1.00 0.95 H new ATOM 0 HA ASP A 85 -10.903 -12.293 -0.679 1.00 1.03 H new ATOM 0 HB2 ASP A 85 -8.438 -12.223 -1.443 1.00 1.15 H new ATOM 0 HB3 ASP A 85 -8.840 -10.744 -2.292 1.00 1.15 H new ATOM 1371 N PRO A 86 -12.758 -10.670 -1.486 1.00 0.91 N ATOM 1372 CA PRO A 86 -13.730 -9.639 -1.847 1.00 0.96 C ATOM 1373 C PRO A 86 -13.481 -8.329 -1.072 1.00 1.00 C ATOM 1374 O PRO A 86 -12.917 -8.386 0.027 1.00 0.83 O ATOM 1375 CB PRO A 86 -15.097 -10.254 -1.522 1.00 1.02 C ATOM 1376 CG PRO A 86 -14.782 -11.165 -0.339 1.00 0.98 C ATOM 1377 CD PRO A 86 -13.384 -11.690 -0.658 1.00 0.93 C ATOM 0 HA PRO A 86 -13.659 -9.358 -2.898 1.00 0.96 H new ATOM 0 HB2 PRO A 86 -15.832 -9.492 -1.262 1.00 1.02 H new ATOM 0 HB3 PRO A 86 -15.501 -10.812 -2.367 1.00 1.02 H new ATOM 0 HG2 PRO A 86 -14.801 -10.619 0.604 1.00 0.98 H new ATOM 0 HG3 PRO A 86 -15.505 -11.976 -0.252 1.00 0.98 H new ATOM 0 HD2 PRO A 86 -12.812 -11.859 0.254 1.00 0.93 H new ATOM 0 HD3 PRO A 86 -13.435 -12.644 -1.183 1.00 0.93 H new ATOM 1385 N PRO A 87 -13.947 -7.163 -1.577 1.00 0.77 N ATOM 1386 CA PRO A 87 -13.637 -5.840 -1.024 1.00 0.84 C ATOM 1387 C PRO A 87 -13.967 -5.684 0.460 1.00 1.05 C ATOM 1388 O PRO A 87 -13.265 -4.961 1.155 1.00 0.86 O ATOM 1389 CB PRO A 87 -14.430 -4.821 -1.850 1.00 0.95 C ATOM 1390 CG PRO A 87 -15.405 -5.646 -2.686 1.00 0.94 C ATOM 1391 CD PRO A 87 -14.742 -7.016 -2.788 1.00 0.86 C ATOM 0 HA PRO A 87 -12.560 -5.686 -1.087 1.00 0.84 H new ATOM 0 HB2 PRO A 87 -14.961 -4.121 -1.205 1.00 0.95 H new ATOM 0 HB3 PRO A 87 -13.769 -4.231 -2.485 1.00 0.95 H new ATOM 0 HG2 PRO A 87 -16.383 -5.711 -2.209 1.00 0.94 H new ATOM 0 HG3 PRO A 87 -15.559 -5.204 -3.670 1.00 0.94 H new ATOM 0 HD2 PRO A 87 -15.488 -7.807 -2.864 1.00 0.86 H new ATOM 0 HD3 PRO A 87 -14.115 -7.082 -3.678 1.00 0.86 H new ATOM 1399 N GLU A 88 -14.998 -6.384 0.942 1.00 0.78 N ATOM 1400 CA GLU A 88 -15.352 -6.467 2.360 1.00 0.87 C ATOM 1401 C GLU A 88 -14.225 -7.055 3.212 1.00 1.09 C ATOM 1402 O GLU A 88 -13.843 -6.469 4.219 1.00 1.25 O ATOM 1403 CB GLU A 88 -16.614 -7.347 2.497 1.00 1.23 C ATOM 1404 CG GLU A 88 -17.918 -6.544 2.514 1.00 1.35 C ATOM 1405 CD GLU A 88 -18.209 -6.079 3.936 1.00 2.29 C ATOM 1406 OE1 GLU A 88 -17.447 -5.248 4.467 1.00 3.59 O ATOM 1407 OE2 GLU A 88 -19.115 -6.651 4.572 1.00 2.92 O ATOM 0 H GLU A 88 -15.624 -6.921 0.342 1.00 0.78 H new ATOM 0 HA GLU A 88 -15.534 -5.456 2.724 1.00 0.87 H new ATOM 0 HB2 GLU A 88 -16.644 -8.057 1.670 1.00 1.23 H new ATOM 0 HB3 GLU A 88 -16.543 -7.930 3.415 1.00 1.23 H new ATOM 0 HG2 GLU A 88 -17.837 -5.685 1.848 1.00 1.35 H new ATOM 0 HG3 GLU A 88 -18.740 -7.157 2.145 1.00 1.35 H new ATOM 1414 N VAL A 89 -13.677 -8.212 2.843 1.00 0.76 N ATOM 1415 CA VAL A 89 -12.679 -8.898 3.685 1.00 0.73 C ATOM 1416 C VAL A 89 -11.356 -8.117 3.652 1.00 0.86 C ATOM 1417 O VAL A 89 -10.724 -7.943 4.693 1.00 0.76 O ATOM 1418 CB VAL A 89 -12.516 -10.385 3.298 1.00 0.92 C ATOM 1419 CG1 VAL A 89 -11.575 -11.144 4.253 1.00 1.12 C ATOM 1420 CG2 VAL A 89 -13.876 -11.110 3.372 1.00 1.07 C ATOM 0 H VAL A 89 -13.901 -8.697 1.974 1.00 0.76 H new ATOM 0 HA VAL A 89 -13.033 -8.911 4.716 1.00 0.73 H new ATOM 0 HB VAL A 89 -12.103 -10.385 2.289 1.00 0.92 H new ATOM 0 HG11 VAL A 89 -11.496 -12.184 3.936 1.00 1.12 H new ATOM 0 HG12 VAL A 89 -10.588 -10.683 4.234 1.00 1.12 H new ATOM 0 HG13 VAL A 89 -11.975 -11.103 5.266 1.00 1.12 H new ATOM 0 HG21 VAL A 89 -13.746 -12.157 3.097 1.00 1.07 H new ATOM 0 HG22 VAL A 89 -14.267 -11.048 4.388 1.00 1.07 H new ATOM 0 HG23 VAL A 89 -14.578 -10.638 2.684 1.00 1.07 H new ATOM 1430 N ALA A 90 -10.995 -7.577 2.481 1.00 0.57 N ATOM 1431 CA ALA A 90 -9.845 -6.694 2.286 1.00 0.55 C ATOM 1432 C ALA A 90 -9.920 -5.371 3.090 1.00 0.78 C ATOM 1433 O ALA A 90 -8.925 -4.993 3.711 1.00 0.91 O ATOM 1434 CB ALA A 90 -9.699 -6.485 0.768 1.00 0.65 C ATOM 0 H ALA A 90 -11.513 -7.750 1.619 1.00 0.57 H new ATOM 0 HA ALA A 90 -8.948 -7.162 2.691 1.00 0.55 H new ATOM 0 HB1 ALA A 90 -8.850 -5.830 0.571 1.00 0.65 H new ATOM 0 HB2 ALA A 90 -9.535 -7.447 0.282 1.00 0.65 H new ATOM 0 HB3 ALA A 90 -10.608 -6.030 0.374 1.00 0.65 H new ATOM 1440 N ASP A 91 -11.066 -4.674 3.135 1.00 0.54 N ATOM 1441 CA ASP A 91 -11.240 -3.439 3.932 1.00 0.59 C ATOM 1442 C ASP A 91 -11.283 -3.687 5.444 1.00 0.94 C ATOM 1443 O ASP A 91 -10.647 -2.954 6.203 1.00 1.03 O ATOM 1444 CB ASP A 91 -12.504 -2.678 3.496 1.00 0.61 C ATOM 1445 CG ASP A 91 -12.625 -1.310 4.188 1.00 0.74 C ATOM 1446 OD1 ASP A 91 -11.700 -0.472 4.075 1.00 1.92 O ATOM 1447 OD2 ASP A 91 -13.626 -1.067 4.901 1.00 1.69 O ATOM 0 H ASP A 91 -11.903 -4.948 2.620 1.00 0.54 H new ATOM 0 HA ASP A 91 -10.356 -2.833 3.733 1.00 0.59 H new ATOM 0 HB2 ASP A 91 -12.486 -2.537 2.415 1.00 0.61 H new ATOM 0 HB3 ASP A 91 -13.385 -3.278 3.725 1.00 0.61 H new ATOM 1452 N ARG A 92 -11.990 -4.733 5.889 1.00 0.63 N ATOM 1453 CA ARG A 92 -12.075 -5.121 7.313 1.00 0.70 C ATOM 1454 C ARG A 92 -10.701 -5.416 7.897 1.00 1.20 C ATOM 1455 O ARG A 92 -10.373 -5.017 9.014 1.00 1.49 O ATOM 1456 CB ARG A 92 -12.949 -6.374 7.441 1.00 0.79 C ATOM 1457 CG ARG A 92 -14.396 -5.969 7.183 1.00 1.36 C ATOM 1458 CD ARG A 92 -15.316 -7.168 6.952 1.00 1.46 C ATOM 1459 NE ARG A 92 -16.707 -6.730 6.757 1.00 2.46 N ATOM 1460 CZ ARG A 92 -17.691 -6.716 7.646 1.00 3.03 C ATOM 1461 NH1 ARG A 92 -17.491 -7.033 8.910 1.00 3.05 N ATOM 1462 NH2 ARG A 92 -18.896 -6.374 7.264 1.00 4.33 N ATOM 0 H ARG A 92 -12.525 -5.342 5.271 1.00 0.63 H new ATOM 0 HA ARG A 92 -12.509 -4.288 7.865 1.00 0.70 H new ATOM 0 HB2 ARG A 92 -12.633 -7.134 6.726 1.00 0.79 H new ATOM 0 HB3 ARG A 92 -12.847 -6.810 8.435 1.00 0.79 H new ATOM 0 HG2 ARG A 92 -14.764 -5.393 8.032 1.00 1.36 H new ATOM 0 HG3 ARG A 92 -14.435 -5.314 6.313 1.00 1.36 H new ATOM 0 HD2 ARG A 92 -14.980 -7.727 6.078 1.00 1.46 H new ATOM 0 HD3 ARG A 92 -15.259 -7.845 7.804 1.00 1.46 H new ATOM 0 HE ARG A 92 -16.944 -6.396 5.823 1.00 2.46 H new ATOM 0 HH11 ARG A 92 -16.559 -7.298 9.228 1.00 3.05 H new ATOM 0 HH12 ARG A 92 -18.268 -7.013 9.570 1.00 3.05 H new ATOM 0 HH21 ARG A 92 -19.070 -6.122 6.291 1.00 4.33 H new ATOM 0 HH22 ARG A 92 -19.660 -6.360 7.939 1.00 4.33 H new ATOM 1476 N TYR A 93 -9.901 -6.103 7.096 1.00 0.68 N ATOM 1477 CA TYR A 93 -8.480 -6.364 7.359 1.00 0.78 C ATOM 1478 C TYR A 93 -7.656 -5.083 7.529 1.00 1.19 C ATOM 1479 O TYR A 93 -7.021 -4.904 8.569 1.00 1.40 O ATOM 1480 CB TYR A 93 -7.928 -7.236 6.225 1.00 0.88 C ATOM 1481 CG TYR A 93 -6.419 -7.382 6.213 1.00 1.73 C ATOM 1482 CD1 TYR A 93 -5.752 -7.934 7.322 1.00 2.17 C ATOM 1483 CD2 TYR A 93 -5.681 -6.918 5.108 1.00 3.27 C ATOM 1484 CE1 TYR A 93 -4.349 -8.028 7.327 1.00 2.89 C ATOM 1485 CE2 TYR A 93 -4.276 -6.996 5.113 1.00 4.12 C ATOM 1486 CZ TYR A 93 -3.610 -7.538 6.231 1.00 3.57 C ATOM 1487 OH TYR A 93 -2.253 -7.533 6.264 1.00 4.57 O ATOM 0 H TYR A 93 -10.224 -6.509 6.218 1.00 0.68 H new ATOM 0 HA TYR A 93 -8.398 -6.888 8.311 1.00 0.78 H new ATOM 0 HB2 TYR A 93 -8.374 -8.228 6.298 1.00 0.88 H new ATOM 0 HB3 TYR A 93 -8.246 -6.813 5.272 1.00 0.88 H new ATOM 0 HD1 TYR A 93 -6.319 -8.286 8.171 1.00 2.17 H new ATOM 0 HD2 TYR A 93 -6.194 -6.501 4.254 1.00 3.27 H new ATOM 0 HE1 TYR A 93 -3.839 -8.474 8.168 1.00 2.89 H new ATOM 0 HE2 TYR A 93 -3.710 -6.642 4.264 1.00 4.12 H new ATOM 0 HH TYR A 93 -1.903 -7.576 5.350 1.00 4.57 H new ATOM 1497 N ALA A 94 -7.695 -4.180 6.546 1.00 0.77 N ATOM 1498 CA ALA A 94 -7.030 -2.870 6.623 1.00 0.84 C ATOM 1499 C ALA A 94 -7.413 -2.087 7.902 1.00 0.94 C ATOM 1500 O ALA A 94 -6.559 -1.533 8.597 1.00 1.08 O ATOM 1501 CB ALA A 94 -7.374 -2.099 5.339 1.00 0.91 C ATOM 0 H ALA A 94 -8.191 -4.335 5.668 1.00 0.77 H new ATOM 0 HA ALA A 94 -5.951 -3.007 6.695 1.00 0.84 H new ATOM 0 HB1 ALA A 94 -6.895 -1.120 5.363 1.00 0.91 H new ATOM 0 HB2 ALA A 94 -7.017 -2.656 4.473 1.00 0.91 H new ATOM 0 HB3 ALA A 94 -8.454 -1.973 5.269 1.00 0.91 H new ATOM 1507 N LYS A 95 -8.704 -2.100 8.250 1.00 0.65 N ATOM 1508 CA LYS A 95 -9.266 -1.435 9.436 1.00 0.67 C ATOM 1509 C LYS A 95 -8.732 -1.970 10.773 1.00 0.99 C ATOM 1510 O LYS A 95 -8.609 -1.195 11.722 1.00 1.21 O ATOM 1511 CB LYS A 95 -10.802 -1.592 9.420 1.00 0.82 C ATOM 1512 CG LYS A 95 -11.558 -0.296 9.756 1.00 1.52 C ATOM 1513 CD LYS A 95 -11.571 0.720 8.603 1.00 1.12 C ATOM 1514 CE LYS A 95 -12.293 0.124 7.387 1.00 1.40 C ATOM 1515 NZ LYS A 95 -12.444 1.084 6.279 1.00 1.34 N ATOM 0 H LYS A 95 -9.410 -2.588 7.699 1.00 0.65 H new ATOM 0 HA LYS A 95 -8.959 -0.391 9.373 1.00 0.67 H new ATOM 0 HB2 LYS A 95 -11.113 -1.939 8.434 1.00 0.82 H new ATOM 0 HB3 LYS A 95 -11.087 -2.364 10.134 1.00 0.82 H new ATOM 0 HG2 LYS A 95 -12.585 -0.543 10.025 1.00 1.52 H new ATOM 0 HG3 LYS A 95 -11.102 0.165 10.632 1.00 1.52 H new ATOM 0 HD2 LYS A 95 -12.070 1.636 8.920 1.00 1.12 H new ATOM 0 HD3 LYS A 95 -10.550 0.990 8.334 1.00 1.12 H new ATOM 0 HE2 LYS A 95 -11.740 -0.746 7.034 1.00 1.40 H new ATOM 0 HE3 LYS A 95 -13.278 -0.227 7.693 1.00 1.40 H new ATOM 0 HZ1 LYS A 95 -13.451 1.310 6.150 1.00 1.34 H new ATOM 0 HZ2 LYS A 95 -11.920 1.954 6.500 1.00 1.34 H new ATOM 0 HZ3 LYS A 95 -12.068 0.666 5.404 1.00 1.34 H new ATOM 1529 N ALA A 96 -8.427 -3.270 10.866 1.00 0.85 N ATOM 1530 CA ALA A 96 -8.025 -3.933 12.113 1.00 0.97 C ATOM 1531 C ALA A 96 -6.703 -3.374 12.660 1.00 1.23 C ATOM 1532 O ALA A 96 -6.471 -3.392 13.865 1.00 1.43 O ATOM 1533 CB ALA A 96 -7.941 -5.443 11.858 1.00 1.08 C ATOM 0 H ALA A 96 -8.453 -3.901 10.065 1.00 0.85 H new ATOM 0 HA ALA A 96 -8.773 -3.736 12.881 1.00 0.97 H new ATOM 0 HB1 ALA A 96 -7.643 -5.951 12.775 1.00 1.08 H new ATOM 0 HB2 ALA A 96 -8.915 -5.813 11.538 1.00 1.08 H new ATOM 0 HB3 ALA A 96 -7.205 -5.640 11.079 1.00 1.08 H new ATOM 1539 N PHE A 97 -5.871 -2.829 11.767 1.00 1.07 N ATOM 1540 CA PHE A 97 -4.647 -2.115 12.121 1.00 1.17 C ATOM 1541 C PHE A 97 -4.880 -0.715 12.696 1.00 2.11 C ATOM 1542 O PHE A 97 -4.160 -0.315 13.612 1.00 2.47 O ATOM 1543 CB PHE A 97 -3.735 -2.077 10.892 1.00 1.29 C ATOM 1544 CG PHE A 97 -3.021 -3.398 10.782 1.00 1.41 C ATOM 1545 CD1 PHE A 97 -1.922 -3.624 11.626 1.00 2.13 C ATOM 1546 CD2 PHE A 97 -3.552 -4.442 10.007 1.00 2.35 C ATOM 1547 CE1 PHE A 97 -1.370 -4.910 11.719 1.00 2.22 C ATOM 1548 CE2 PHE A 97 -2.985 -5.723 10.089 1.00 2.23 C ATOM 1549 CZ PHE A 97 -1.907 -5.958 10.959 1.00 1.68 C ATOM 0 H PHE A 97 -6.035 -2.874 10.761 1.00 1.07 H new ATOM 0 HA PHE A 97 -4.168 -2.661 12.934 1.00 1.17 H new ATOM 0 HB2 PHE A 97 -4.320 -1.887 9.992 1.00 1.29 H new ATOM 0 HB3 PHE A 97 -3.015 -1.264 10.981 1.00 1.29 H new ATOM 0 HD1 PHE A 97 -1.504 -2.811 12.201 1.00 2.13 H new ATOM 0 HD2 PHE A 97 -4.391 -4.260 9.352 1.00 2.35 H new ATOM 0 HE1 PHE A 97 -0.532 -5.092 12.376 1.00 2.22 H new ATOM 0 HE2 PHE A 97 -3.377 -6.527 9.484 1.00 2.23 H new ATOM 0 HZ PHE A 97 -1.490 -6.951 11.042 1.00 1.68 H new ATOM 1559 N HIS A 98 -5.847 0.034 12.168 1.00 1.03 N ATOM 1560 CA HIS A 98 -6.116 1.432 12.516 1.00 1.04 C ATOM 1561 C HIS A 98 -7.371 1.922 11.758 1.00 1.25 C ATOM 1562 O HIS A 98 -7.455 1.669 10.554 1.00 1.36 O ATOM 1563 CB HIS A 98 -4.866 2.266 12.161 1.00 1.13 C ATOM 1564 CG HIS A 98 -5.028 3.756 12.294 1.00 1.84 C ATOM 1565 ND1 HIS A 98 -5.083 4.470 13.461 1.00 2.32 N flip ATOM 1566 CD2 HIS A 98 -5.066 4.666 11.263 1.00 2.63 C flip ATOM 1567 CE1 HIS A 98 -5.208 5.820 13.131 1.00 3.15 C flip ATOM 1568 NE2 HIS A 98 -5.158 5.893 11.795 1.00 3.38 N flip ATOM 0 H HIS A 98 -6.488 -0.327 11.461 1.00 1.03 H new ATOM 0 HA HIS A 98 -6.318 1.540 13.582 1.00 1.04 H new ATOM 0 HB2 HIS A 98 -4.043 1.948 12.802 1.00 1.13 H new ATOM 0 HB3 HIS A 98 -4.577 2.039 11.135 1.00 1.13 H new ATOM 0 HD1 HIS A 98 -5.040 4.084 14.404 1.00 2.32 H new ATOM 0 HD2 HIS A 98 -5.028 4.433 10.209 1.00 2.63 H new ATOM 0 HE1 HIS A 98 -5.323 6.645 13.819 1.00 3.15 H new ATOM 1577 N PRO A 99 -8.336 2.615 12.398 1.00 0.99 N ATOM 1578 CA PRO A 99 -9.654 2.859 11.810 1.00 1.13 C ATOM 1579 C PRO A 99 -9.664 3.828 10.620 1.00 1.46 C ATOM 1580 O PRO A 99 -10.560 3.732 9.790 1.00 1.51 O ATOM 1581 CB PRO A 99 -10.536 3.365 12.959 1.00 1.37 C ATOM 1582 CG PRO A 99 -9.538 3.961 13.947 1.00 1.33 C ATOM 1583 CD PRO A 99 -8.331 3.036 13.791 1.00 1.07 C ATOM 0 HA PRO A 99 -10.026 1.933 11.373 1.00 1.13 H new ATOM 0 HB2 PRO A 99 -11.253 4.111 12.615 1.00 1.37 H new ATOM 0 HB3 PRO A 99 -11.110 2.555 13.409 1.00 1.37 H new ATOM 0 HG2 PRO A 99 -9.292 4.994 13.703 1.00 1.33 H new ATOM 0 HG3 PRO A 99 -9.924 3.957 14.966 1.00 1.33 H new ATOM 0 HD2 PRO A 99 -7.405 3.555 14.040 1.00 1.07 H new ATOM 0 HD3 PRO A 99 -8.406 2.178 14.460 1.00 1.07 H new ATOM 1591 N SER A 100 -8.685 4.731 10.482 1.00 1.49 N ATOM 1592 CA SER A 100 -8.617 5.650 9.332 1.00 1.87 C ATOM 1593 C SER A 100 -8.104 5.008 8.019 1.00 1.83 C ATOM 1594 O SER A 100 -7.670 5.738 7.127 1.00 2.04 O ATOM 1595 CB SER A 100 -7.785 6.886 9.707 1.00 2.36 C ATOM 1596 OG SER A 100 -7.958 7.912 8.749 1.00 3.14 O ATOM 0 H SER A 100 -7.926 4.847 11.153 1.00 1.49 H new ATOM 0 HA SER A 100 -9.644 5.940 9.112 1.00 1.87 H new ATOM 0 HB2 SER A 100 -8.083 7.246 10.692 1.00 2.36 H new ATOM 0 HB3 SER A 100 -6.731 6.616 9.772 1.00 2.36 H new ATOM 0 HG SER A 100 -7.935 7.526 7.849 1.00 3.14 H new ATOM 1602 N PHE A 101 -8.127 3.672 7.886 1.00 1.48 N ATOM 1603 CA PHE A 101 -7.645 2.936 6.710 1.00 1.34 C ATOM 1604 C PHE A 101 -8.793 2.631 5.731 1.00 2.18 C ATOM 1605 O PHE A 101 -9.956 2.513 6.121 1.00 2.62 O ATOM 1606 CB PHE A 101 -7.009 1.600 7.153 1.00 1.31 C ATOM 1607 CG PHE A 101 -5.520 1.640 7.449 1.00 1.50 C ATOM 1608 CD1 PHE A 101 -5.019 2.423 8.503 1.00 2.64 C ATOM 1609 CD2 PHE A 101 -4.626 0.873 6.675 1.00 2.08 C ATOM 1610 CE1 PHE A 101 -3.632 2.494 8.743 1.00 2.81 C ATOM 1611 CE2 PHE A 101 -3.250 0.904 6.951 1.00 2.11 C ATOM 1612 CZ PHE A 101 -2.747 1.729 7.970 1.00 2.12 C ATOM 0 H PHE A 101 -8.492 3.059 8.615 1.00 1.48 H new ATOM 0 HA PHE A 101 -6.908 3.562 6.207 1.00 1.34 H new ATOM 0 HB2 PHE A 101 -7.528 1.251 8.046 1.00 1.31 H new ATOM 0 HB3 PHE A 101 -7.185 0.860 6.372 1.00 1.31 H new ATOM 0 HD1 PHE A 101 -5.701 2.974 9.133 1.00 2.64 H new ATOM 0 HD2 PHE A 101 -5.000 0.260 5.868 1.00 2.08 H new ATOM 0 HE1 PHE A 101 -3.251 3.138 9.522 1.00 2.81 H new ATOM 0 HE2 PHE A 101 -2.574 0.289 6.376 1.00 2.11 H new ATOM 0 HZ PHE A 101 -1.684 1.774 8.157 1.00 2.12 H new ATOM 1622 N LEU A 102 -8.436 2.418 4.462 1.00 1.05 N ATOM 1623 CA LEU A 102 -9.322 1.879 3.421 1.00 0.84 C ATOM 1624 C LEU A 102 -8.645 0.681 2.736 1.00 0.95 C ATOM 1625 O LEU A 102 -7.474 0.779 2.375 1.00 1.26 O ATOM 1626 CB LEU A 102 -9.616 3.000 2.400 1.00 0.90 C ATOM 1627 CG LEU A 102 -11.040 3.081 1.823 1.00 1.19 C ATOM 1628 CD1 LEU A 102 -11.487 1.779 1.154 1.00 1.31 C ATOM 1629 CD2 LEU A 102 -12.060 3.506 2.888 1.00 2.47 C ATOM 0 H LEU A 102 -7.497 2.621 4.118 1.00 1.05 H new ATOM 0 HA LEU A 102 -10.259 1.535 3.859 1.00 0.84 H new ATOM 0 HB2 LEU A 102 -9.391 3.955 2.875 1.00 0.90 H new ATOM 0 HB3 LEU A 102 -8.922 2.887 1.567 1.00 0.90 H new ATOM 0 HG LEU A 102 -11.002 3.848 1.049 1.00 1.19 H new ATOM 0 HD11 LEU A 102 -12.499 1.898 0.767 1.00 1.31 H new ATOM 0 HD12 LEU A 102 -10.810 1.540 0.334 1.00 1.31 H new ATOM 0 HD13 LEU A 102 -11.471 0.970 1.885 1.00 1.31 H new ATOM 0 HD21 LEU A 102 -13.054 3.552 2.442 1.00 2.47 H new ATOM 0 HD22 LEU A 102 -12.060 2.781 3.702 1.00 2.47 H new ATOM 0 HD23 LEU A 102 -11.791 4.488 3.278 1.00 2.47 H new ATOM 1641 N GLY A 103 -9.367 -0.421 2.536 1.00 0.57 N ATOM 1642 CA GLY A 103 -8.972 -1.556 1.694 1.00 0.60 C ATOM 1643 C GLY A 103 -9.892 -1.721 0.484 1.00 0.59 C ATOM 1644 O GLY A 103 -11.093 -1.456 0.554 1.00 0.70 O ATOM 0 H GLY A 103 -10.279 -0.555 2.972 1.00 0.57 H new ATOM 0 HA2 GLY A 103 -7.947 -1.414 1.353 1.00 0.60 H new ATOM 0 HA3 GLY A 103 -8.987 -2.470 2.288 1.00 0.60 H new ATOM 1648 N LEU A 104 -9.321 -2.152 -0.643 1.00 0.44 N ATOM 1649 CA LEU A 104 -10.003 -2.242 -1.932 1.00 0.61 C ATOM 1650 C LEU A 104 -9.741 -3.604 -2.600 1.00 1.19 C ATOM 1651 O LEU A 104 -8.612 -4.082 -2.678 1.00 1.37 O ATOM 1652 CB LEU A 104 -9.519 -1.078 -2.825 1.00 0.75 C ATOM 1653 CG LEU A 104 -9.724 0.352 -2.273 1.00 0.94 C ATOM 1654 CD1 LEU A 104 -8.979 1.395 -3.120 1.00 0.91 C ATOM 1655 CD2 LEU A 104 -11.211 0.734 -2.238 1.00 1.48 C ATOM 0 H LEU A 104 -8.348 -2.455 -0.683 1.00 0.44 H new ATOM 0 HA LEU A 104 -11.080 -2.163 -1.785 1.00 0.61 H new ATOM 0 HB2 LEU A 104 -8.456 -1.218 -3.020 1.00 0.75 H new ATOM 0 HB3 LEU A 104 -10.031 -1.149 -3.784 1.00 0.75 H new ATOM 0 HG LEU A 104 -9.323 0.349 -1.260 1.00 0.94 H new ATOM 0 HD11 LEU A 104 -9.145 2.388 -2.703 1.00 0.91 H new ATOM 0 HD12 LEU A 104 -7.912 1.173 -3.114 1.00 0.91 H new ATOM 0 HD13 LEU A 104 -9.351 1.365 -4.144 1.00 0.91 H new ATOM 0 HD21 LEU A 104 -11.318 1.745 -1.845 1.00 1.48 H new ATOM 0 HD22 LEU A 104 -11.621 0.692 -3.247 1.00 1.48 H new ATOM 0 HD23 LEU A 104 -11.751 0.037 -1.597 1.00 1.48 H new ATOM 1667 N SER A 105 -10.783 -4.249 -3.116 1.00 0.74 N ATOM 1668 CA SER A 105 -10.649 -5.374 -4.042 1.00 0.79 C ATOM 1669 C SER A 105 -11.784 -5.314 -5.063 1.00 1.02 C ATOM 1670 O SER A 105 -12.924 -5.043 -4.691 1.00 1.43 O ATOM 1671 CB SER A 105 -10.663 -6.705 -3.294 1.00 0.88 C ATOM 1672 OG SER A 105 -10.312 -7.755 -4.172 1.00 1.08 O ATOM 0 H SER A 105 -11.751 -4.006 -2.904 1.00 0.74 H new ATOM 0 HA SER A 105 -9.691 -5.302 -4.558 1.00 0.79 H new ATOM 0 HB2 SER A 105 -9.964 -6.670 -2.458 1.00 0.88 H new ATOM 0 HB3 SER A 105 -11.653 -6.886 -2.875 1.00 0.88 H new ATOM 0 HG SER A 105 -10.553 -8.614 -3.767 1.00 1.08 H new ATOM 1678 N GLY A 106 -11.490 -5.538 -6.342 1.00 0.77 N ATOM 1679 CA GLY A 106 -12.439 -5.276 -7.420 1.00 0.82 C ATOM 1680 C GLY A 106 -12.267 -6.152 -8.637 1.00 0.91 C ATOM 1681 O GLY A 106 -11.603 -7.184 -8.596 1.00 1.06 O ATOM 0 H GLY A 106 -10.592 -5.904 -6.658 1.00 0.77 H new ATOM 0 HA2 GLY A 106 -13.450 -5.406 -7.035 1.00 0.82 H new ATOM 0 HA3 GLY A 106 -12.345 -4.233 -7.723 1.00 0.82 H new ATOM 1685 N SER A 107 -12.871 -5.724 -9.741 1.00 0.83 N ATOM 1686 CA SER A 107 -12.736 -6.435 -11.016 1.00 0.96 C ATOM 1687 C SER A 107 -11.254 -6.676 -11.402 1.00 1.11 C ATOM 1688 O SER A 107 -10.402 -5.809 -11.165 1.00 1.08 O ATOM 1689 CB SER A 107 -13.531 -5.729 -12.131 1.00 1.17 C ATOM 1690 OG SER A 107 -12.738 -4.869 -12.940 1.00 1.69 O ATOM 0 H SER A 107 -13.458 -4.891 -9.783 1.00 0.83 H new ATOM 0 HA SER A 107 -13.173 -7.425 -10.887 1.00 0.96 H new ATOM 0 HB2 SER A 107 -13.998 -6.482 -12.766 1.00 1.17 H new ATOM 0 HB3 SER A 107 -14.336 -5.149 -11.680 1.00 1.17 H new ATOM 0 HG SER A 107 -13.301 -4.455 -13.627 1.00 1.69 H new ATOM 1696 N PRO A 108 -10.912 -7.829 -12.017 1.00 1.01 N ATOM 1697 CA PRO A 108 -9.525 -8.157 -12.354 1.00 1.05 C ATOM 1698 C PRO A 108 -8.906 -7.133 -13.310 1.00 1.20 C ATOM 1699 O PRO A 108 -7.714 -6.863 -13.205 1.00 1.05 O ATOM 1700 CB PRO A 108 -9.559 -9.566 -12.952 1.00 1.25 C ATOM 1701 CG PRO A 108 -10.993 -9.720 -13.449 1.00 1.25 C ATOM 1702 CD PRO A 108 -11.798 -8.901 -12.442 1.00 1.14 C ATOM 0 HA PRO A 108 -8.888 -8.126 -11.470 1.00 1.05 H new ATOM 0 HB2 PRO A 108 -8.841 -9.672 -13.765 1.00 1.25 H new ATOM 0 HB3 PRO A 108 -9.311 -10.322 -12.207 1.00 1.25 H new ATOM 0 HG2 PRO A 108 -11.111 -9.340 -14.464 1.00 1.25 H new ATOM 0 HG3 PRO A 108 -11.306 -10.764 -13.461 1.00 1.25 H new ATOM 0 HD2 PRO A 108 -12.706 -8.503 -12.896 1.00 1.14 H new ATOM 0 HD3 PRO A 108 -12.107 -9.514 -11.595 1.00 1.14 H new ATOM 1710 N GLU A 109 -9.717 -6.503 -14.169 1.00 0.98 N ATOM 1711 CA GLU A 109 -9.287 -5.389 -15.017 1.00 0.99 C ATOM 1712 C GLU A 109 -8.896 -4.163 -14.178 1.00 1.11 C ATOM 1713 O GLU A 109 -7.816 -3.602 -14.357 1.00 1.27 O ATOM 1714 CB GLU A 109 -10.385 -5.054 -16.036 1.00 1.18 C ATOM 1715 CG GLU A 109 -10.568 -6.157 -17.089 1.00 1.45 C ATOM 1716 CD GLU A 109 -9.390 -6.193 -18.059 1.00 2.99 C ATOM 1717 OE1 GLU A 109 -8.312 -6.707 -17.694 1.00 4.10 O ATOM 1718 OE2 GLU A 109 -9.519 -5.617 -19.156 1.00 4.10 O ATOM 0 H GLU A 109 -10.697 -6.756 -14.294 1.00 0.98 H new ATOM 0 HA GLU A 109 -8.394 -5.692 -15.563 1.00 0.99 H new ATOM 0 HB2 GLU A 109 -11.327 -4.898 -15.511 1.00 1.18 H new ATOM 0 HB3 GLU A 109 -10.139 -4.117 -16.535 1.00 1.18 H new ATOM 0 HG2 GLU A 109 -10.665 -7.123 -16.594 1.00 1.45 H new ATOM 0 HG3 GLU A 109 -11.492 -5.987 -17.641 1.00 1.45 H new ATOM 1725 N ALA A 110 -9.714 -3.800 -13.182 1.00 0.88 N ATOM 1726 CA ALA A 110 -9.376 -2.752 -12.219 1.00 0.87 C ATOM 1727 C ALA A 110 -8.103 -3.099 -11.426 1.00 0.97 C ATOM 1728 O ALA A 110 -7.209 -2.253 -11.316 1.00 0.99 O ATOM 1729 CB ALA A 110 -10.601 -2.513 -11.319 1.00 0.95 C ATOM 0 H ALA A 110 -10.627 -4.226 -13.024 1.00 0.88 H new ATOM 0 HA ALA A 110 -9.140 -1.824 -12.740 1.00 0.87 H new ATOM 0 HB1 ALA A 110 -10.372 -1.734 -10.592 1.00 0.95 H new ATOM 0 HB2 ALA A 110 -11.447 -2.200 -11.931 1.00 0.95 H new ATOM 0 HB3 ALA A 110 -10.853 -3.435 -10.796 1.00 0.95 H new ATOM 1735 N VAL A 111 -7.978 -4.343 -10.939 1.00 0.85 N ATOM 1736 CA VAL A 111 -6.758 -4.816 -10.253 1.00 0.83 C ATOM 1737 C VAL A 111 -5.517 -4.615 -11.138 1.00 1.04 C ATOM 1738 O VAL A 111 -4.528 -4.057 -10.656 1.00 0.83 O ATOM 1739 CB VAL A 111 -6.872 -6.282 -9.755 1.00 0.94 C ATOM 1740 CG1 VAL A 111 -5.557 -6.805 -9.149 1.00 1.33 C ATOM 1741 CG2 VAL A 111 -7.967 -6.409 -8.678 1.00 1.23 C ATOM 0 H VAL A 111 -8.712 -5.048 -11.007 1.00 0.85 H new ATOM 0 HA VAL A 111 -6.644 -4.203 -9.359 1.00 0.83 H new ATOM 0 HB VAL A 111 -7.119 -6.877 -10.634 1.00 0.94 H new ATOM 0 HG11 VAL A 111 -5.693 -7.834 -8.817 1.00 1.33 H new ATOM 0 HG12 VAL A 111 -4.769 -6.768 -9.902 1.00 1.33 H new ATOM 0 HG13 VAL A 111 -5.276 -6.184 -8.299 1.00 1.33 H new ATOM 0 HG21 VAL A 111 -8.030 -7.444 -8.343 1.00 1.23 H new ATOM 0 HG22 VAL A 111 -7.721 -5.768 -7.831 1.00 1.23 H new ATOM 0 HG23 VAL A 111 -8.926 -6.104 -9.097 1.00 1.23 H new ATOM 1751 N ARG A 112 -5.561 -4.986 -12.431 1.00 0.74 N ATOM 1752 CA ARG A 112 -4.409 -4.793 -13.326 1.00 0.68 C ATOM 1753 C ARG A 112 -4.110 -3.336 -13.656 1.00 0.94 C ATOM 1754 O ARG A 112 -2.934 -2.972 -13.672 1.00 1.05 O ATOM 1755 CB ARG A 112 -4.417 -5.724 -14.544 1.00 0.96 C ATOM 1756 CG ARG A 112 -5.541 -5.661 -15.572 1.00 1.82 C ATOM 1757 CD ARG A 112 -5.463 -4.483 -16.541 1.00 2.90 C ATOM 1758 NE ARG A 112 -6.344 -4.715 -17.701 1.00 4.16 N ATOM 1759 CZ ARG A 112 -6.352 -4.066 -18.860 1.00 5.38 C ATOM 1760 NH1 ARG A 112 -5.590 -3.020 -19.092 1.00 5.97 N ATOM 1761 NH2 ARG A 112 -7.157 -4.462 -19.814 1.00 6.50 N ATOM 0 H ARG A 112 -6.373 -5.416 -12.874 1.00 0.74 H new ATOM 0 HA ARG A 112 -3.547 -5.110 -12.739 1.00 0.68 H new ATOM 0 HB2 ARG A 112 -3.483 -5.556 -15.081 1.00 0.96 H new ATOM 0 HB3 ARG A 112 -4.387 -6.746 -14.165 1.00 0.96 H new ATOM 0 HG2 ARG A 112 -5.539 -6.587 -16.148 1.00 1.82 H new ATOM 0 HG3 ARG A 112 -6.494 -5.616 -15.044 1.00 1.82 H new ATOM 0 HD2 ARG A 112 -5.755 -3.565 -16.032 1.00 2.90 H new ATOM 0 HD3 ARG A 112 -4.435 -4.348 -16.878 1.00 2.90 H new ATOM 0 HE ARG A 112 -7.029 -5.464 -17.601 1.00 4.16 H new ATOM 0 HH11 ARG A 112 -4.960 -2.677 -18.367 1.00 5.97 H new ATOM 0 HH12 ARG A 112 -5.628 -2.552 -19.997 1.00 5.97 H new ATOM 0 HH21 ARG A 112 -7.771 -5.263 -19.664 1.00 6.50 H new ATOM 0 HH22 ARG A 112 -7.170 -3.970 -20.707 1.00 6.50 H new ATOM 1775 N GLU A 113 -5.123 -2.498 -13.848 1.00 0.72 N ATOM 1776 CA GLU A 113 -4.921 -1.058 -14.092 1.00 0.80 C ATOM 1777 C GLU A 113 -4.147 -0.367 -12.961 1.00 1.07 C ATOM 1778 O GLU A 113 -3.174 0.350 -13.212 1.00 1.16 O ATOM 1779 CB GLU A 113 -6.240 -0.335 -14.363 1.00 1.03 C ATOM 1780 CG GLU A 113 -6.804 -0.652 -15.751 1.00 1.38 C ATOM 1781 CD GLU A 113 -5.850 -0.340 -16.903 1.00 2.08 C ATOM 1782 OE1 GLU A 113 -5.015 -1.225 -17.206 1.00 3.17 O ATOM 1783 OE2 GLU A 113 -5.972 0.752 -17.493 1.00 2.66 O ATOM 0 H GLU A 113 -6.102 -2.785 -13.841 1.00 0.72 H new ATOM 0 HA GLU A 113 -4.307 -0.992 -14.990 1.00 0.80 H new ATOM 0 HB2 GLU A 113 -6.969 -0.618 -13.604 1.00 1.03 H new ATOM 0 HB3 GLU A 113 -6.087 0.740 -14.273 1.00 1.03 H new ATOM 0 HG2 GLU A 113 -7.069 -1.709 -15.790 1.00 1.38 H new ATOM 0 HG3 GLU A 113 -7.725 -0.087 -15.894 1.00 1.38 H new ATOM 1790 N ALA A 114 -4.517 -0.622 -11.699 1.00 0.73 N ATOM 1791 CA ALA A 114 -3.756 -0.111 -10.557 1.00 0.72 C ATOM 1792 C ALA A 114 -2.344 -0.706 -10.517 1.00 0.88 C ATOM 1793 O ALA A 114 -1.357 0.033 -10.504 1.00 1.05 O ATOM 1794 CB ALA A 114 -4.550 -0.374 -9.270 1.00 0.71 C ATOM 0 H ALA A 114 -5.335 -1.177 -11.446 1.00 0.73 H new ATOM 0 HA ALA A 114 -3.619 0.966 -10.657 1.00 0.72 H new ATOM 0 HB1 ALA A 114 -3.991 0.003 -8.414 1.00 0.71 H new ATOM 0 HB2 ALA A 114 -5.513 0.133 -9.327 1.00 0.71 H new ATOM 0 HB3 ALA A 114 -4.711 -1.446 -9.154 1.00 0.71 H new ATOM 1800 N ALA A 115 -2.242 -2.040 -10.523 1.00 0.60 N ATOM 1801 CA ALA A 115 -0.987 -2.781 -10.413 1.00 0.62 C ATOM 1802 C ALA A 115 0.054 -2.336 -11.449 1.00 0.81 C ATOM 1803 O ALA A 115 1.190 -2.016 -11.092 1.00 0.92 O ATOM 1804 CB ALA A 115 -1.320 -4.272 -10.568 1.00 0.63 C ATOM 0 H ALA A 115 -3.056 -2.649 -10.607 1.00 0.60 H new ATOM 0 HA ALA A 115 -0.534 -2.582 -9.442 1.00 0.62 H new ATOM 0 HB1 ALA A 115 -0.405 -4.859 -10.491 1.00 0.63 H new ATOM 0 HB2 ALA A 115 -2.012 -4.574 -9.782 1.00 0.63 H new ATOM 0 HB3 ALA A 115 -1.780 -4.443 -11.541 1.00 0.63 H new ATOM 1810 N GLN A 116 -0.314 -2.304 -12.729 1.00 0.61 N ATOM 1811 CA GLN A 116 0.603 -1.957 -13.814 1.00 0.69 C ATOM 1812 C GLN A 116 1.071 -0.498 -13.721 1.00 1.09 C ATOM 1813 O GLN A 116 2.240 -0.239 -13.997 1.00 1.22 O ATOM 1814 CB GLN A 116 -0.064 -2.267 -15.162 1.00 0.86 C ATOM 1815 CG GLN A 116 -0.298 -3.774 -15.386 1.00 1.53 C ATOM 1816 CD GLN A 116 0.985 -4.531 -15.720 1.00 2.56 C ATOM 1817 OE1 GLN A 116 1.420 -4.583 -16.855 1.00 2.45 O ATOM 1818 NE2 GLN A 116 1.667 -5.141 -14.769 1.00 4.43 N ATOM 0 H GLN A 116 -1.260 -2.519 -13.044 1.00 0.61 H new ATOM 0 HA GLN A 116 1.503 -2.565 -13.724 1.00 0.69 H new ATOM 0 HB2 GLN A 116 -1.019 -1.745 -15.217 1.00 0.86 H new ATOM 0 HB3 GLN A 116 0.559 -1.878 -15.967 1.00 0.86 H new ATOM 0 HG2 GLN A 116 -0.745 -4.204 -14.490 1.00 1.53 H new ATOM 0 HG3 GLN A 116 -1.015 -3.909 -16.196 1.00 1.53 H new ATOM 0 HE21 GLN A 116 1.332 -5.118 -13.806 1.00 4.43 H new ATOM 0 HE22 GLN A 116 2.529 -5.636 -14.997 1.00 4.43 H new ATOM 1827 N THR A 117 0.220 0.423 -13.245 1.00 0.68 N ATOM 1828 CA THR A 117 0.563 1.846 -13.044 1.00 0.76 C ATOM 1829 C THR A 117 1.666 2.033 -12.000 1.00 1.02 C ATOM 1830 O THR A 117 2.517 2.921 -12.134 1.00 1.03 O ATOM 1831 CB THR A 117 -0.708 2.621 -12.661 1.00 0.87 C ATOM 1832 OG1 THR A 117 -1.617 2.531 -13.731 1.00 1.23 O ATOM 1833 CG2 THR A 117 -0.457 4.109 -12.426 1.00 1.06 C ATOM 0 H THR A 117 -0.741 0.201 -12.984 1.00 0.68 H new ATOM 0 HA THR A 117 0.960 2.242 -13.979 1.00 0.76 H new ATOM 0 HB THR A 117 -1.081 2.182 -11.736 1.00 0.87 H new ATOM 0 HG1 THR A 117 -2.245 1.797 -13.566 1.00 1.23 H new ATOM 0 HG21 THR A 117 -1.394 4.598 -12.159 1.00 1.06 H new ATOM 0 HG22 THR A 117 0.261 4.233 -11.615 1.00 1.06 H new ATOM 0 HG23 THR A 117 -0.059 4.559 -13.335 1.00 1.06 H new ATOM 1841 N PHE A 118 1.646 1.216 -10.946 1.00 0.72 N ATOM 1842 CA PHE A 118 2.720 1.072 -9.959 1.00 0.77 C ATOM 1843 C PHE A 118 3.936 0.246 -10.410 1.00 1.73 C ATOM 1844 O PHE A 118 4.998 0.361 -9.801 1.00 2.06 O ATOM 1845 CB PHE A 118 2.095 0.530 -8.669 1.00 0.80 C ATOM 1846 CG PHE A 118 1.285 1.583 -7.943 1.00 0.92 C ATOM 1847 CD1 PHE A 118 1.933 2.730 -7.450 1.00 1.68 C ATOM 1848 CD2 PHE A 118 -0.109 1.459 -7.812 1.00 2.46 C ATOM 1849 CE1 PHE A 118 1.196 3.752 -6.837 1.00 1.75 C ATOM 1850 CE2 PHE A 118 -0.847 2.485 -7.202 1.00 2.38 C ATOM 1851 CZ PHE A 118 -0.198 3.637 -6.719 1.00 1.22 C ATOM 0 H PHE A 118 0.849 0.611 -10.747 1.00 0.72 H new ATOM 0 HA PHE A 118 3.156 2.059 -9.803 1.00 0.77 H new ATOM 0 HB2 PHE A 118 1.455 -0.320 -8.906 1.00 0.80 H new ATOM 0 HB3 PHE A 118 2.883 0.162 -8.012 1.00 0.80 H new ATOM 0 HD1 PHE A 118 3.005 2.823 -7.544 1.00 1.68 H new ATOM 0 HD2 PHE A 118 -0.611 0.576 -8.180 1.00 2.46 H new ATOM 0 HE1 PHE A 118 1.700 4.628 -6.456 1.00 1.75 H new ATOM 0 HE2 PHE A 118 -1.918 2.390 -7.103 1.00 2.38 H new ATOM 0 HZ PHE A 118 -0.770 4.429 -6.259 1.00 1.22 H new ATOM 1861 N GLY A 119 3.801 -0.598 -11.442 1.00 0.72 N ATOM 1862 CA GLY A 119 4.826 -1.570 -11.866 1.00 0.73 C ATOM 1863 C GLY A 119 4.711 -2.940 -11.190 1.00 0.76 C ATOM 1864 O GLY A 119 5.641 -3.738 -11.281 1.00 0.90 O ATOM 0 H GLY A 119 2.960 -0.627 -12.019 1.00 0.72 H new ATOM 0 HA2 GLY A 119 4.759 -1.704 -12.946 1.00 0.73 H new ATOM 0 HA3 GLY A 119 5.812 -1.156 -11.656 1.00 0.73 H new ATOM 1868 N VAL A 120 3.589 -3.231 -10.532 1.00 0.57 N ATOM 1869 CA VAL A 120 3.315 -4.546 -9.942 1.00 0.53 C ATOM 1870 C VAL A 120 3.120 -5.587 -11.041 1.00 0.83 C ATOM 1871 O VAL A 120 2.195 -5.507 -11.855 1.00 0.98 O ATOM 1872 CB VAL A 120 2.118 -4.540 -8.959 1.00 0.68 C ATOM 1873 CG1 VAL A 120 1.588 -5.942 -8.597 1.00 1.03 C ATOM 1874 CG2 VAL A 120 2.535 -3.838 -7.666 1.00 1.12 C ATOM 0 H VAL A 120 2.837 -2.557 -10.391 1.00 0.57 H new ATOM 0 HA VAL A 120 4.188 -4.813 -9.346 1.00 0.53 H new ATOM 0 HB VAL A 120 1.310 -4.017 -9.472 1.00 0.68 H new ATOM 0 HG11 VAL A 120 0.751 -5.847 -7.905 1.00 1.03 H new ATOM 0 HG12 VAL A 120 1.255 -6.450 -9.502 1.00 1.03 H new ATOM 0 HG13 VAL A 120 2.383 -6.521 -8.128 1.00 1.03 H new ATOM 0 HG21 VAL A 120 1.697 -3.830 -6.969 1.00 1.12 H new ATOM 0 HG22 VAL A 120 3.374 -4.370 -7.218 1.00 1.12 H new ATOM 0 HG23 VAL A 120 2.832 -2.813 -7.888 1.00 1.12 H new ATOM 1884 N PHE A 121 3.988 -6.591 -10.990 1.00 1.01 N ATOM 1885 CA PHE A 121 3.830 -7.876 -11.648 1.00 1.09 C ATOM 1886 C PHE A 121 3.319 -8.906 -10.629 1.00 1.64 C ATOM 1887 O PHE A 121 3.803 -8.999 -9.498 1.00 1.67 O ATOM 1888 CB PHE A 121 5.155 -8.286 -12.309 1.00 1.18 C ATOM 1889 CG PHE A 121 6.380 -8.250 -11.411 1.00 1.24 C ATOM 1890 CD1 PHE A 121 7.109 -7.055 -11.255 1.00 2.26 C ATOM 1891 CD2 PHE A 121 6.803 -9.419 -10.749 1.00 2.00 C ATOM 1892 CE1 PHE A 121 8.266 -7.035 -10.453 1.00 2.36 C ATOM 1893 CE2 PHE A 121 7.956 -9.395 -9.944 1.00 1.84 C ATOM 1894 CZ PHE A 121 8.693 -8.206 -9.805 1.00 1.42 C ATOM 0 H PHE A 121 4.859 -6.525 -10.464 1.00 1.01 H new ATOM 0 HA PHE A 121 3.089 -7.815 -12.445 1.00 1.09 H new ATOM 0 HB2 PHE A 121 5.046 -9.297 -12.702 1.00 1.18 H new ATOM 0 HB3 PHE A 121 5.333 -7.630 -13.161 1.00 1.18 H new ATOM 0 HD1 PHE A 121 6.780 -6.154 -11.751 1.00 2.26 H new ATOM 0 HD2 PHE A 121 6.241 -10.335 -10.860 1.00 2.00 H new ATOM 0 HE1 PHE A 121 8.826 -6.119 -10.336 1.00 2.36 H new ATOM 0 HE2 PHE A 121 8.275 -10.291 -9.432 1.00 1.84 H new ATOM 0 HZ PHE A 121 9.588 -8.193 -9.200 1.00 1.42 H new ATOM 1904 N TYR A 122 2.293 -9.645 -11.045 1.00 1.02 N ATOM 1905 CA TYR A 122 1.815 -10.854 -10.381 1.00 1.08 C ATOM 1906 C TYR A 122 1.341 -11.865 -11.430 1.00 1.28 C ATOM 1907 O TYR A 122 0.816 -11.485 -12.480 1.00 1.27 O ATOM 1908 CB TYR A 122 0.744 -10.537 -9.326 1.00 1.24 C ATOM 1909 CG TYR A 122 -0.625 -10.184 -9.874 1.00 1.11 C ATOM 1910 CD1 TYR A 122 -0.868 -8.894 -10.384 1.00 1.99 C ATOM 1911 CD2 TYR A 122 -1.661 -11.140 -9.853 1.00 1.99 C ATOM 1912 CE1 TYR A 122 -2.141 -8.559 -10.877 1.00 2.01 C ATOM 1913 CE2 TYR A 122 -2.943 -10.804 -10.328 1.00 2.23 C ATOM 1914 CZ TYR A 122 -3.185 -9.510 -10.842 1.00 1.55 C ATOM 1915 OH TYR A 122 -4.419 -9.185 -11.314 1.00 1.96 O ATOM 0 H TYR A 122 1.755 -9.411 -11.879 1.00 1.02 H new ATOM 0 HA TYR A 122 2.639 -11.309 -9.831 1.00 1.08 H new ATOM 0 HB2 TYR A 122 0.641 -11.399 -8.667 1.00 1.24 H new ATOM 0 HB3 TYR A 122 1.096 -9.707 -8.713 1.00 1.24 H new ATOM 0 HD1 TYR A 122 -0.075 -8.161 -10.396 1.00 1.99 H new ATOM 0 HD2 TYR A 122 -1.471 -12.132 -9.472 1.00 1.99 H new ATOM 0 HE1 TYR A 122 -2.321 -7.574 -11.283 1.00 2.01 H new ATOM 0 HE2 TYR A 122 -3.739 -11.533 -10.300 1.00 2.23 H new ATOM 0 HH TYR A 122 -5.019 -9.953 -11.217 1.00 1.96 H new ATOM 1925 N GLN A 123 1.510 -13.151 -11.145 1.00 1.05 N ATOM 1926 CA GLN A 123 1.009 -14.252 -11.970 1.00 1.06 C ATOM 1927 C GLN A 123 0.234 -15.206 -11.060 1.00 1.17 C ATOM 1928 O GLN A 123 0.253 -15.019 -9.846 1.00 1.51 O ATOM 1929 CB GLN A 123 2.167 -15.001 -12.665 1.00 1.17 C ATOM 1930 CG GLN A 123 3.173 -14.125 -13.437 1.00 2.14 C ATOM 1931 CD GLN A 123 4.181 -13.398 -12.542 1.00 3.20 C ATOM 1932 OE1 GLN A 123 4.339 -12.188 -12.590 1.00 4.40 O ATOM 1933 NE2 GLN A 123 4.874 -14.091 -11.662 1.00 3.61 N ATOM 0 H GLN A 123 2.011 -13.468 -10.315 1.00 1.05 H new ATOM 0 HA GLN A 123 0.362 -13.857 -12.753 1.00 1.06 H new ATOM 0 HB2 GLN A 123 2.713 -15.566 -11.909 1.00 1.17 H new ATOM 0 HB3 GLN A 123 1.740 -15.726 -13.358 1.00 1.17 H new ATOM 0 HG2 GLN A 123 3.716 -14.751 -14.145 1.00 2.14 H new ATOM 0 HG3 GLN A 123 2.623 -13.387 -14.021 1.00 2.14 H new ATOM 0 HE21 GLN A 123 4.758 -15.103 -11.604 1.00 3.61 H new ATOM 0 HE22 GLN A 123 5.526 -13.616 -11.038 1.00 3.61 H new ATOM 1942 N LYS A 124 -0.395 -16.257 -11.601 1.00 1.07 N ATOM 1943 CA LYS A 124 -0.891 -17.349 -10.754 1.00 1.11 C ATOM 1944 C LYS A 124 -0.510 -18.747 -11.251 1.00 1.33 C ATOM 1945 O LYS A 124 -0.429 -19.017 -12.447 1.00 1.72 O ATOM 1946 CB LYS A 124 -2.356 -17.138 -10.328 1.00 1.28 C ATOM 1947 CG LYS A 124 -3.475 -17.413 -11.344 1.00 1.49 C ATOM 1948 CD LYS A 124 -4.809 -17.047 -10.664 1.00 1.78 C ATOM 1949 CE LYS A 124 -6.046 -17.483 -11.453 1.00 2.47 C ATOM 1950 NZ LYS A 124 -7.288 -17.084 -10.751 1.00 2.91 N ATOM 0 H LYS A 124 -0.570 -16.374 -12.599 1.00 1.07 H new ATOM 0 HA LYS A 124 -0.342 -17.301 -9.814 1.00 1.11 H new ATOM 0 HB2 LYS A 124 -2.540 -17.768 -9.458 1.00 1.28 H new ATOM 0 HB3 LYS A 124 -2.457 -16.104 -9.999 1.00 1.28 H new ATOM 0 HG2 LYS A 124 -3.329 -16.821 -12.247 1.00 1.49 H new ATOM 0 HG3 LYS A 124 -3.472 -18.460 -11.646 1.00 1.49 H new ATOM 0 HD2 LYS A 124 -4.840 -17.506 -9.676 1.00 1.78 H new ATOM 0 HD3 LYS A 124 -4.846 -15.968 -10.516 1.00 1.78 H new ATOM 0 HE2 LYS A 124 -6.025 -17.035 -12.447 1.00 2.47 H new ATOM 0 HE3 LYS A 124 -6.032 -18.564 -11.590 1.00 2.47 H new ATOM 0 HZ1 LYS A 124 -8.024 -17.800 -10.914 1.00 2.91 H new ATOM 0 HZ2 LYS A 124 -7.101 -17.006 -9.731 1.00 2.91 H new ATOM 0 HZ3 LYS A 124 -7.612 -16.165 -11.115 1.00 2.91 H new ATOM 2120 N VAL A 135 -0.695 -17.686 -6.045 1.00 1.50 N ATOM 2121 CA VAL A 135 -0.352 -16.554 -6.926 1.00 1.33 C ATOM 2122 C VAL A 135 1.017 -16.009 -6.521 1.00 1.57 C ATOM 2123 O VAL A 135 1.380 -16.042 -5.347 1.00 1.61 O ATOM 2124 CB VAL A 135 -1.455 -15.461 -7.070 1.00 1.66 C ATOM 2125 CG1 VAL A 135 -2.871 -15.959 -6.730 1.00 1.99 C ATOM 2126 CG2 VAL A 135 -1.189 -14.165 -6.293 1.00 2.61 C ATOM 0 HA VAL A 135 -0.294 -16.938 -7.945 1.00 1.33 H new ATOM 0 HB VAL A 135 -1.404 -15.228 -8.134 1.00 1.66 H new ATOM 0 HG11 VAL A 135 -3.583 -15.143 -6.853 1.00 1.99 H new ATOM 0 HG12 VAL A 135 -3.139 -16.778 -7.397 1.00 1.99 H new ATOM 0 HG13 VAL A 135 -2.896 -16.309 -5.698 1.00 1.99 H new ATOM 0 HG21 VAL A 135 -2.011 -13.468 -6.456 1.00 2.61 H new ATOM 0 HG22 VAL A 135 -1.108 -14.389 -5.229 1.00 2.61 H new ATOM 0 HG23 VAL A 135 -0.258 -13.717 -6.641 1.00 2.61 H new ATOM 2136 N ASP A 136 1.786 -15.563 -7.509 1.00 1.17 N ATOM 2137 CA ASP A 136 3.178 -15.140 -7.359 1.00 1.27 C ATOM 2138 C ASP A 136 3.232 -13.602 -7.283 1.00 1.45 C ATOM 2139 O ASP A 136 2.772 -12.933 -8.205 1.00 1.64 O ATOM 2140 CB ASP A 136 3.995 -15.653 -8.559 1.00 1.49 C ATOM 2141 CG ASP A 136 3.742 -17.125 -8.913 1.00 2.66 C ATOM 2142 OD1 ASP A 136 4.012 -18.011 -8.075 1.00 3.67 O ATOM 2143 OD2 ASP A 136 3.297 -17.364 -10.060 1.00 3.79 O ATOM 0 H ASP A 136 1.448 -15.483 -8.468 1.00 1.17 H new ATOM 0 HA ASP A 136 3.602 -15.553 -6.444 1.00 1.27 H new ATOM 0 HB2 ASP A 136 3.766 -15.038 -9.429 1.00 1.49 H new ATOM 0 HB3 ASP A 136 5.055 -15.520 -8.345 1.00 1.49 H new ATOM 2148 N HIS A 137 3.777 -13.020 -6.208 1.00 1.39 N ATOM 2149 CA HIS A 137 3.667 -11.577 -5.928 1.00 1.45 C ATOM 2150 C HIS A 137 5.022 -10.848 -5.846 1.00 1.73 C ATOM 2151 O HIS A 137 5.947 -11.355 -5.216 1.00 2.12 O ATOM 2152 CB HIS A 137 2.993 -11.334 -4.559 1.00 2.24 C ATOM 2153 CG HIS A 137 1.931 -12.299 -4.107 1.00 1.81 C ATOM 2154 ND1 HIS A 137 0.571 -12.089 -4.117 1.00 2.37 N ATOM 2155 CD2 HIS A 137 2.157 -13.434 -3.377 1.00 2.68 C ATOM 2156 CE1 HIS A 137 0.001 -13.066 -3.399 1.00 3.12 C ATOM 2157 NE2 HIS A 137 0.928 -13.913 -2.926 1.00 2.88 N ATOM 0 H HIS A 137 4.308 -13.534 -5.505 1.00 1.39 H new ATOM 0 HA HIS A 137 3.088 -11.187 -6.765 1.00 1.45 H new ATOM 0 HB2 HIS A 137 3.776 -11.321 -3.800 1.00 2.24 H new ATOM 0 HB3 HIS A 137 2.551 -10.338 -4.578 1.00 2.24 H new ATOM 0 HD2 HIS A 137 3.121 -13.881 -3.184 1.00 2.68 H new ATOM 0 HE1 HIS A 137 -1.061 -13.159 -3.225 1.00 3.12 H new ATOM 0 HE2 HIS A 137 0.766 -14.741 -2.352 1.00 2.88 H new ATOM 2166 N THR A 138 5.095 -9.593 -6.330 1.00 1.29 N ATOM 2167 CA THR A 138 6.227 -8.666 -6.078 1.00 1.38 C ATOM 2168 C THR A 138 6.272 -8.059 -4.657 1.00 1.84 C ATOM 2169 O THR A 138 7.299 -7.548 -4.217 1.00 3.39 O ATOM 2170 CB THR A 138 6.241 -7.593 -7.173 1.00 1.19 C ATOM 2171 OG1 THR A 138 7.505 -6.988 -7.197 1.00 2.58 O ATOM 2172 CG2 THR A 138 5.176 -6.517 -6.988 1.00 1.43 C ATOM 0 H THR A 138 4.364 -9.185 -6.914 1.00 1.29 H new ATOM 0 HA THR A 138 7.142 -9.257 -6.123 1.00 1.38 H new ATOM 0 HB THR A 138 6.017 -8.096 -8.114 1.00 1.19 H new ATOM 0 HG1 THR A 138 7.961 -7.217 -8.034 1.00 2.58 H new ATOM 0 HG21 THR A 138 5.246 -5.792 -7.799 1.00 1.43 H new ATOM 0 HG22 THR A 138 4.188 -6.978 -6.997 1.00 1.43 H new ATOM 0 HG23 THR A 138 5.332 -6.011 -6.035 1.00 1.43 H new ATOM 2180 N ALA A 139 5.147 -8.097 -3.926 1.00 0.83 N ATOM 2181 CA ALA A 139 5.040 -7.838 -2.474 1.00 0.84 C ATOM 2182 C ALA A 139 5.458 -6.419 -2.013 1.00 0.84 C ATOM 2183 O ALA A 139 5.735 -6.207 -0.830 1.00 1.29 O ATOM 2184 CB ALA A 139 5.791 -8.946 -1.711 1.00 1.33 C ATOM 0 H ALA A 139 4.244 -8.319 -4.346 1.00 0.83 H new ATOM 0 HA ALA A 139 3.978 -7.866 -2.232 1.00 0.84 H new ATOM 0 HB1 ALA A 139 5.718 -8.763 -0.639 1.00 1.33 H new ATOM 0 HB2 ALA A 139 5.348 -9.914 -1.945 1.00 1.33 H new ATOM 0 HB3 ALA A 139 6.840 -8.946 -2.008 1.00 1.33 H new ATOM 2190 N THR A 140 5.494 -5.440 -2.925 1.00 0.79 N ATOM 2191 CA THR A 140 6.079 -4.113 -2.682 1.00 0.64 C ATOM 2192 C THR A 140 5.009 -3.124 -2.220 1.00 0.71 C ATOM 2193 O THR A 140 3.828 -3.259 -2.543 1.00 1.04 O ATOM 2194 CB THR A 140 6.768 -3.549 -3.942 1.00 0.78 C ATOM 2195 OG1 THR A 140 7.088 -4.553 -4.878 1.00 1.27 O ATOM 2196 CG2 THR A 140 8.051 -2.784 -3.615 1.00 1.01 C ATOM 0 H THR A 140 5.113 -5.547 -3.865 1.00 0.79 H new ATOM 0 HA THR A 140 6.828 -4.240 -1.900 1.00 0.64 H new ATOM 0 HB THR A 140 6.036 -2.867 -4.375 1.00 0.78 H new ATOM 0 HG1 THR A 140 7.520 -4.147 -5.658 1.00 1.27 H new ATOM 0 HG21 THR A 140 8.496 -2.408 -4.537 1.00 1.01 H new ATOM 0 HG22 THR A 140 7.818 -1.947 -2.957 1.00 1.01 H new ATOM 0 HG23 THR A 140 8.755 -3.451 -3.118 1.00 1.01 H new ATOM 2204 N THR A 141 5.452 -2.125 -1.458 1.00 0.52 N ATOM 2205 CA THR A 141 4.712 -0.928 -1.048 1.00 0.61 C ATOM 2206 C THR A 141 5.158 0.247 -1.915 1.00 0.97 C ATOM 2207 O THR A 141 6.345 0.407 -2.207 1.00 1.01 O ATOM 2208 CB THR A 141 4.960 -0.641 0.436 1.00 0.72 C ATOM 2209 OG1 THR A 141 4.510 -1.760 1.160 1.00 1.29 O ATOM 2210 CG2 THR A 141 4.214 0.584 0.965 1.00 1.26 C ATOM 0 H THR A 141 6.401 -2.129 -1.085 1.00 0.52 H new ATOM 0 HA THR A 141 3.642 -1.085 -1.183 1.00 0.61 H new ATOM 0 HB THR A 141 6.025 -0.442 0.555 1.00 0.72 H new ATOM 0 HG1 THR A 141 3.774 -2.188 0.676 1.00 1.29 H new ATOM 0 HG21 THR A 141 4.442 0.720 2.022 1.00 1.26 H new ATOM 0 HG22 THR A 141 4.527 1.468 0.410 1.00 1.26 H new ATOM 0 HG23 THR A 141 3.141 0.438 0.841 1.00 1.26 H new ATOM 2218 N PHE A 142 4.207 1.081 -2.312 1.00 0.78 N ATOM 2219 CA PHE A 142 4.409 2.233 -3.183 1.00 0.81 C ATOM 2220 C PHE A 142 4.121 3.505 -2.391 1.00 1.75 C ATOM 2221 O PHE A 142 3.013 3.672 -1.874 1.00 2.09 O ATOM 2222 CB PHE A 142 3.489 2.083 -4.404 1.00 0.84 C ATOM 2223 CG PHE A 142 3.771 0.802 -5.159 1.00 0.96 C ATOM 2224 CD1 PHE A 142 4.750 0.790 -6.166 1.00 1.96 C ATOM 2225 CD2 PHE A 142 3.156 -0.403 -4.765 1.00 2.34 C ATOM 2226 CE1 PHE A 142 5.165 -0.428 -6.729 1.00 1.91 C ATOM 2227 CE2 PHE A 142 3.563 -1.617 -5.340 1.00 2.24 C ATOM 2228 CZ PHE A 142 4.589 -1.632 -6.301 1.00 0.90 C ATOM 0 H PHE A 142 3.234 0.970 -2.025 1.00 0.78 H new ATOM 0 HA PHE A 142 5.437 2.293 -3.540 1.00 0.81 H new ATOM 0 HB2 PHE A 142 2.448 2.094 -4.080 1.00 0.84 H new ATOM 0 HB3 PHE A 142 3.624 2.936 -5.069 1.00 0.84 H new ATOM 0 HD1 PHE A 142 5.184 1.718 -6.508 1.00 1.96 H new ATOM 0 HD2 PHE A 142 2.373 -0.392 -4.022 1.00 2.34 H new ATOM 0 HE1 PHE A 142 5.929 -0.437 -7.493 1.00 1.91 H new ATOM 0 HE2 PHE A 142 3.088 -2.540 -5.044 1.00 2.24 H new ATOM 0 HZ PHE A 142 4.933 -2.571 -6.709 1.00 0.90 H new ATOM 2238 N VAL A 143 5.105 4.405 -2.288 1.00 0.62 N ATOM 2239 CA VAL A 143 4.929 5.673 -1.565 1.00 0.56 C ATOM 2240 C VAL A 143 4.718 6.778 -2.581 1.00 0.83 C ATOM 2241 O VAL A 143 5.543 6.995 -3.468 1.00 1.05 O ATOM 2242 CB VAL A 143 6.102 6.028 -0.633 1.00 0.63 C ATOM 2243 CG1 VAL A 143 5.738 7.205 0.287 1.00 0.68 C ATOM 2244 CG2 VAL A 143 6.470 4.816 0.222 1.00 1.07 C ATOM 0 H VAL A 143 6.032 4.281 -2.695 1.00 0.62 H new ATOM 0 HA VAL A 143 4.062 5.560 -0.915 1.00 0.56 H new ATOM 0 HB VAL A 143 6.951 6.317 -1.252 1.00 0.63 H new ATOM 0 HG11 VAL A 143 6.584 7.435 0.935 1.00 0.68 H new ATOM 0 HG12 VAL A 143 5.496 8.079 -0.318 1.00 0.68 H new ATOM 0 HG13 VAL A 143 4.876 6.937 0.897 1.00 0.68 H new ATOM 0 HG21 VAL A 143 7.301 5.073 0.879 1.00 1.07 H new ATOM 0 HG22 VAL A 143 5.610 4.520 0.823 1.00 1.07 H new ATOM 0 HG23 VAL A 143 6.762 3.989 -0.425 1.00 1.07 H new ATOM 2254 N VAL A 144 3.590 7.461 -2.426 1.00 0.50 N ATOM 2255 CA VAL A 144 3.166 8.589 -3.272 1.00 0.51 C ATOM 2256 C VAL A 144 2.886 9.835 -2.434 1.00 0.91 C ATOM 2257 O VAL A 144 2.350 9.721 -1.332 1.00 0.89 O ATOM 2258 CB VAL A 144 1.936 8.270 -4.173 1.00 0.63 C ATOM 2259 CG1 VAL A 144 1.909 6.817 -4.664 1.00 2.18 C ATOM 2260 CG2 VAL A 144 0.566 8.631 -3.583 1.00 2.28 C ATOM 0 H VAL A 144 2.920 7.245 -1.688 1.00 0.50 H new ATOM 0 HA VAL A 144 4.006 8.779 -3.940 1.00 0.51 H new ATOM 0 HB VAL A 144 2.095 8.938 -5.020 1.00 0.63 H new ATOM 0 HG11 VAL A 144 1.028 6.660 -5.286 1.00 2.18 H new ATOM 0 HG12 VAL A 144 2.807 6.613 -5.248 1.00 2.18 H new ATOM 0 HG13 VAL A 144 1.873 6.144 -3.807 1.00 2.18 H new ATOM 0 HG21 VAL A 144 -0.217 8.366 -4.293 1.00 2.28 H new ATOM 0 HG22 VAL A 144 0.414 8.082 -2.654 1.00 2.28 H new ATOM 0 HG23 VAL A 144 0.527 9.702 -3.382 1.00 2.28 H new ATOM 2270 N LYS A 145 3.163 11.011 -3.004 1.00 0.61 N ATOM 2271 CA LYS A 145 2.677 12.307 -2.525 1.00 0.68 C ATOM 2272 C LYS A 145 2.297 13.240 -3.688 1.00 0.93 C ATOM 2273 O LYS A 145 3.015 13.295 -4.681 1.00 1.20 O ATOM 2274 CB LYS A 145 3.760 12.934 -1.639 1.00 0.81 C ATOM 2275 CG LYS A 145 3.263 14.265 -1.070 1.00 1.12 C ATOM 2276 CD LYS A 145 4.292 14.956 -0.192 1.00 1.23 C ATOM 2277 CE LYS A 145 5.457 15.471 -1.036 1.00 2.33 C ATOM 2278 NZ LYS A 145 5.789 16.864 -0.674 1.00 2.40 N ATOM 0 H LYS A 145 3.749 11.089 -3.835 1.00 0.61 H new ATOM 0 HA LYS A 145 1.767 12.157 -1.944 1.00 0.68 H new ATOM 0 HB2 LYS A 145 4.016 12.254 -0.826 1.00 0.81 H new ATOM 0 HB3 LYS A 145 4.669 13.093 -2.219 1.00 0.81 H new ATOM 0 HG2 LYS A 145 2.992 14.927 -1.892 1.00 1.12 H new ATOM 0 HG3 LYS A 145 2.357 14.090 -0.490 1.00 1.12 H new ATOM 0 HD2 LYS A 145 3.826 15.785 0.340 1.00 1.23 H new ATOM 0 HD3 LYS A 145 4.661 14.261 0.562 1.00 1.23 H new ATOM 0 HE2 LYS A 145 6.329 14.834 -0.888 1.00 2.33 H new ATOM 0 HE3 LYS A 145 5.198 15.417 -2.093 1.00 2.33 H new ATOM 0 HZ1 LYS A 145 6.699 17.127 -1.104 1.00 2.40 H new ATOM 0 HZ2 LYS A 145 5.044 17.500 -1.023 1.00 2.40 H new ATOM 0 HZ3 LYS A 145 5.858 16.947 0.360 1.00 2.40 H new ATOM 2292 N GLU A 146 1.183 13.968 -3.576 1.00 0.88 N ATOM 2293 CA GLU A 146 0.723 14.957 -4.561 1.00 1.06 C ATOM 2294 C GLU A 146 0.488 14.296 -5.946 1.00 1.27 C ATOM 2295 O GLU A 146 1.019 14.737 -6.971 1.00 1.59 O ATOM 2296 CB GLU A 146 1.679 16.150 -4.663 1.00 1.37 C ATOM 2297 CG GLU A 146 1.860 17.058 -3.441 1.00 2.04 C ATOM 2298 CD GLU A 146 3.262 17.683 -3.472 1.00 2.41 C ATOM 2299 OE1 GLU A 146 3.733 18.020 -4.590 1.00 2.32 O ATOM 2300 OE2 GLU A 146 3.916 17.725 -2.405 1.00 3.38 O ATOM 0 H GLU A 146 0.556 13.885 -2.775 1.00 0.88 H new ATOM 0 HA GLU A 146 -0.233 15.346 -4.210 1.00 1.06 H new ATOM 0 HB2 GLU A 146 2.661 15.764 -4.935 1.00 1.37 H new ATOM 0 HB3 GLU A 146 1.341 16.774 -5.491 1.00 1.37 H new ATOM 0 HG2 GLU A 146 1.101 17.840 -3.440 1.00 2.04 H new ATOM 0 HG3 GLU A 146 1.726 16.483 -2.524 1.00 2.04 H new ATOM 2307 N GLY A 147 -0.204 13.149 -5.963 1.00 1.04 N ATOM 2308 CA GLY A 147 -0.558 12.392 -7.181 1.00 1.07 C ATOM 2309 C GLY A 147 0.607 11.696 -7.894 1.00 1.00 C ATOM 2310 O GLY A 147 0.458 11.230 -9.029 1.00 1.11 O ATOM 0 H GLY A 147 -0.544 12.706 -5.109 1.00 1.04 H new ATOM 0 HA2 GLY A 147 -1.299 11.638 -6.915 1.00 1.07 H new ATOM 0 HA3 GLY A 147 -1.035 13.074 -7.885 1.00 1.07 H new ATOM 2314 N ARG A 148 1.786 11.603 -7.261 1.00 0.89 N ATOM 2315 CA ARG A 148 2.950 10.959 -7.863 1.00 0.87 C ATOM 2316 C ARG A 148 3.758 10.135 -6.868 1.00 1.19 C ATOM 2317 O ARG A 148 3.899 10.460 -5.694 1.00 1.33 O ATOM 2318 CB ARG A 148 3.800 12.008 -8.592 1.00 1.02 C ATOM 2319 CG ARG A 148 4.729 12.734 -7.642 1.00 1.23 C ATOM 2320 CD ARG A 148 5.177 14.066 -8.210 1.00 1.30 C ATOM 2321 NE ARG A 148 4.120 15.080 -8.063 1.00 1.99 N ATOM 2322 CZ ARG A 148 4.117 16.124 -7.239 1.00 2.62 C ATOM 2323 NH1 ARG A 148 5.067 16.385 -6.368 1.00 3.32 N ATOM 2324 NH2 ARG A 148 3.109 16.956 -7.259 1.00 3.28 N ATOM 0 H ARG A 148 1.953 11.971 -6.324 1.00 0.89 H new ATOM 0 HA ARG A 148 2.594 10.234 -8.595 1.00 0.87 H new ATOM 0 HB2 ARG A 148 4.385 11.523 -9.374 1.00 1.02 H new ATOM 0 HB3 ARG A 148 3.146 12.729 -9.084 1.00 1.02 H new ATOM 0 HG2 ARG A 148 4.224 12.895 -6.690 1.00 1.23 H new ATOM 0 HG3 ARG A 148 5.601 12.112 -7.439 1.00 1.23 H new ATOM 0 HD2 ARG A 148 6.080 14.399 -7.699 1.00 1.30 H new ATOM 0 HD3 ARG A 148 5.432 13.950 -9.263 1.00 1.30 H new ATOM 0 HE ARG A 148 3.299 14.970 -8.659 1.00 1.99 H new ATOM 0 HH11 ARG A 148 5.874 15.766 -6.293 1.00 3.32 H new ATOM 0 HH12 ARG A 148 4.997 17.206 -5.767 1.00 3.32 H new ATOM 0 HH21 ARG A 148 2.333 16.802 -7.903 1.00 3.28 H new ATOM 0 HH22 ARG A 148 3.098 17.759 -6.631 1.00 3.28 H new ATOM 2338 N LEU A 149 4.351 9.080 -7.411 1.00 0.76 N ATOM 2339 CA LEU A 149 5.246 8.143 -6.747 1.00 0.65 C ATOM 2340 C LEU A 149 6.533 8.880 -6.380 1.00 1.02 C ATOM 2341 O LEU A 149 7.075 9.625 -7.195 1.00 1.50 O ATOM 2342 CB LEU A 149 5.522 6.955 -7.692 1.00 0.65 C ATOM 2343 CG LEU A 149 6.266 5.775 -7.033 1.00 0.87 C ATOM 2344 CD1 LEU A 149 5.325 4.932 -6.165 1.00 1.55 C ATOM 2345 CD2 LEU A 149 6.873 4.870 -8.114 1.00 2.18 C ATOM 0 H LEU A 149 4.210 8.841 -8.392 1.00 0.76 H new ATOM 0 HA LEU A 149 4.798 7.751 -5.834 1.00 0.65 H new ATOM 0 HB2 LEU A 149 4.573 6.594 -8.089 1.00 0.65 H new ATOM 0 HB3 LEU A 149 6.108 7.310 -8.540 1.00 0.65 H new ATOM 0 HG LEU A 149 7.049 6.194 -6.401 1.00 0.87 H new ATOM 0 HD11 LEU A 149 5.883 4.110 -5.716 1.00 1.55 H new ATOM 0 HD12 LEU A 149 4.901 5.555 -5.378 1.00 1.55 H new ATOM 0 HD13 LEU A 149 4.522 4.531 -6.783 1.00 1.55 H new ATOM 0 HD21 LEU A 149 7.397 4.039 -7.641 1.00 2.18 H new ATOM 0 HD22 LEU A 149 6.079 4.482 -8.752 1.00 2.18 H new ATOM 0 HD23 LEU A 149 7.575 5.445 -8.718 1.00 2.18 H new ATOM 2357 N VAL A 150 6.998 8.639 -5.161 1.00 0.58 N ATOM 2358 CA VAL A 150 8.136 9.299 -4.506 1.00 0.66 C ATOM 2359 C VAL A 150 9.190 8.281 -4.010 1.00 0.99 C ATOM 2360 O VAL A 150 10.364 8.622 -3.848 1.00 1.11 O ATOM 2361 CB VAL A 150 7.571 10.206 -3.375 1.00 0.88 C ATOM 2362 CG1 VAL A 150 7.520 9.568 -1.979 1.00 2.95 C ATOM 2363 CG2 VAL A 150 8.311 11.540 -3.298 1.00 1.94 C ATOM 0 H VAL A 150 6.569 7.935 -4.560 1.00 0.58 H new ATOM 0 HA VAL A 150 8.677 9.921 -5.220 1.00 0.66 H new ATOM 0 HB VAL A 150 6.534 10.365 -3.671 1.00 0.88 H new ATOM 0 HG11 VAL A 150 7.111 10.284 -1.266 1.00 2.95 H new ATOM 0 HG12 VAL A 150 6.886 8.682 -2.007 1.00 2.95 H new ATOM 0 HG13 VAL A 150 8.527 9.285 -1.671 1.00 2.95 H new ATOM 0 HG21 VAL A 150 7.888 12.145 -2.496 1.00 1.94 H new ATOM 0 HG22 VAL A 150 9.367 11.359 -3.097 1.00 1.94 H new ATOM 0 HG23 VAL A 150 8.207 12.069 -4.245 1.00 1.94 H new ATOM 2373 N LEU A 151 8.772 7.015 -3.817 1.00 0.67 N ATOM 2374 CA LEU A 151 9.531 5.929 -3.177 1.00 0.78 C ATOM 2375 C LEU A 151 8.899 4.545 -3.420 1.00 1.33 C ATOM 2376 O LEU A 151 7.672 4.424 -3.510 1.00 1.49 O ATOM 2377 CB LEU A 151 9.596 6.219 -1.658 1.00 0.85 C ATOM 2378 CG LEU A 151 11.008 6.478 -1.133 1.00 0.94 C ATOM 2379 CD1 LEU A 151 10.936 7.263 0.172 1.00 1.15 C ATOM 2380 CD2 LEU A 151 11.755 5.163 -0.901 1.00 1.12 C ATOM 0 H LEU A 151 7.847 6.709 -4.120 1.00 0.67 H new ATOM 0 HA LEU A 151 10.528 5.898 -3.616 1.00 0.78 H new ATOM 0 HB2 LEU A 151 8.973 7.086 -1.437 1.00 0.85 H new ATOM 0 HB3 LEU A 151 9.169 5.374 -1.119 1.00 0.85 H new ATOM 0 HG LEU A 151 11.551 7.056 -1.880 1.00 0.94 H new ATOM 0 HD11 LEU A 151 11.945 7.446 0.543 1.00 1.15 H new ATOM 0 HD12 LEU A 151 10.436 8.216 -0.003 1.00 1.15 H new ATOM 0 HD13 LEU A 151 10.376 6.690 0.911 1.00 1.15 H new ATOM 0 HD21 LEU A 151 12.757 5.375 -0.528 1.00 1.12 H new ATOM 0 HD22 LEU A 151 11.215 4.562 -0.170 1.00 1.12 H new ATOM 0 HD23 LEU A 151 11.826 4.614 -1.840 1.00 1.12 H new ATOM 2392 N LEU A 152 9.749 3.510 -3.451 1.00 0.90 N ATOM 2393 CA LEU A 152 9.366 2.096 -3.382 1.00 0.86 C ATOM 2394 C LEU A 152 9.908 1.458 -2.091 1.00 1.16 C ATOM 2395 O LEU A 152 11.030 1.736 -1.664 1.00 1.24 O ATOM 2396 CB LEU A 152 9.898 1.348 -4.621 1.00 0.97 C ATOM 2397 CG LEU A 152 9.368 1.824 -5.984 1.00 1.15 C ATOM 2398 CD1 LEU A 152 10.095 1.072 -7.108 1.00 1.40 C ATOM 2399 CD2 LEU A 152 7.865 1.577 -6.089 1.00 1.19 C ATOM 0 H LEU A 152 10.758 3.640 -3.528 1.00 0.90 H new ATOM 0 HA LEU A 152 8.279 2.023 -3.369 1.00 0.86 H new ATOM 0 HB2 LEU A 152 10.985 1.429 -4.629 1.00 0.97 H new ATOM 0 HB3 LEU A 152 9.658 0.290 -4.511 1.00 0.97 H new ATOM 0 HG LEU A 152 9.553 2.894 -6.079 1.00 1.15 H new ATOM 0 HD11 LEU A 152 9.719 1.410 -8.074 1.00 1.40 H new ATOM 0 HD12 LEU A 152 11.165 1.270 -7.046 1.00 1.40 H new ATOM 0 HD13 LEU A 152 9.918 0.002 -7.004 1.00 1.40 H new ATOM 0 HD21 LEU A 152 7.507 1.920 -7.060 1.00 1.19 H new ATOM 0 HD22 LEU A 152 7.663 0.511 -5.984 1.00 1.19 H new ATOM 0 HD23 LEU A 152 7.350 2.124 -5.299 1.00 1.19 H new ATOM 2411 N TYR A 153 9.108 0.590 -1.469 1.00 0.73 N ATOM 2412 CA TYR A 153 9.420 -0.074 -0.201 1.00 0.66 C ATOM 2413 C TYR A 153 9.129 -1.584 -0.280 1.00 1.10 C ATOM 2414 O TYR A 153 7.986 -2.037 -0.233 1.00 1.58 O ATOM 2415 CB TYR A 153 8.649 0.613 0.948 1.00 0.74 C ATOM 2416 CG TYR A 153 9.521 1.479 1.841 1.00 0.80 C ATOM 2417 CD1 TYR A 153 10.156 0.899 2.954 1.00 1.72 C ATOM 2418 CD2 TYR A 153 9.711 2.847 1.568 1.00 2.09 C ATOM 2419 CE1 TYR A 153 11.000 1.667 3.783 1.00 1.96 C ATOM 2420 CE2 TYR A 153 10.546 3.624 2.399 1.00 2.27 C ATOM 2421 CZ TYR A 153 11.212 3.033 3.496 1.00 1.50 C ATOM 2422 OH TYR A 153 12.074 3.766 4.257 1.00 2.04 O ATOM 0 H TYR A 153 8.198 0.321 -1.844 1.00 0.73 H new ATOM 0 HA TYR A 153 10.486 0.024 0.004 1.00 0.66 H new ATOM 0 HB2 TYR A 153 7.856 1.229 0.524 1.00 0.74 H new ATOM 0 HB3 TYR A 153 8.167 -0.151 1.558 1.00 0.74 H new ATOM 0 HD1 TYR A 153 9.996 -0.146 3.176 1.00 1.72 H new ATOM 0 HD2 TYR A 153 9.217 3.302 0.722 1.00 2.09 H new ATOM 0 HE1 TYR A 153 11.483 1.211 4.635 1.00 1.96 H new ATOM 0 HE2 TYR A 153 10.677 4.677 2.195 1.00 2.27 H new ATOM 0 HH TYR A 153 12.454 4.490 3.716 1.00 2.04 H new ATOM 2432 N SER A 154 10.179 -2.393 -0.390 1.00 1.00 N ATOM 2433 CA SER A 154 10.115 -3.837 -0.114 1.00 0.93 C ATOM 2434 C SER A 154 9.729 -4.102 1.358 1.00 1.03 C ATOM 2435 O SER A 154 10.027 -3.254 2.209 1.00 1.18 O ATOM 2436 CB SER A 154 11.479 -4.470 -0.427 1.00 1.11 C ATOM 2437 OG SER A 154 11.918 -4.148 -1.735 1.00 1.99 O ATOM 0 H SER A 154 11.104 -2.071 -0.674 1.00 1.00 H new ATOM 0 HA SER A 154 9.348 -4.284 -0.746 1.00 0.93 H new ATOM 0 HB2 SER A 154 12.215 -4.126 0.299 1.00 1.11 H new ATOM 0 HB3 SER A 154 11.410 -5.553 -0.322 1.00 1.11 H new ATOM 0 HG SER A 154 12.789 -4.565 -1.900 1.00 1.99 H new ATOM 2443 N PRO A 155 9.097 -5.245 1.698 1.00 0.86 N ATOM 2444 CA PRO A 155 8.642 -5.506 3.063 1.00 0.98 C ATOM 2445 C PRO A 155 9.818 -5.619 4.041 1.00 1.18 C ATOM 2446 O PRO A 155 9.726 -5.128 5.161 1.00 1.10 O ATOM 2447 CB PRO A 155 7.810 -6.786 2.987 1.00 1.08 C ATOM 2448 CG PRO A 155 8.351 -7.503 1.749 1.00 0.98 C ATOM 2449 CD PRO A 155 8.764 -6.359 0.824 1.00 0.93 C ATOM 0 HA PRO A 155 8.042 -4.683 3.451 1.00 0.98 H new ATOM 0 HB2 PRO A 155 7.929 -7.393 3.884 1.00 1.08 H new ATOM 0 HB3 PRO A 155 6.747 -6.566 2.889 1.00 1.08 H new ATOM 0 HG2 PRO A 155 9.197 -8.145 1.995 1.00 0.98 H new ATOM 0 HG3 PRO A 155 7.593 -8.137 1.289 1.00 0.98 H new ATOM 0 HD2 PRO A 155 9.618 -6.642 0.209 1.00 0.93 H new ATOM 0 HD3 PRO A 155 7.955 -6.094 0.144 1.00 0.93 H new ATOM 2457 N ASP A 156 10.950 -6.166 3.582 1.00 0.97 N ATOM 2458 CA ASP A 156 12.210 -6.266 4.323 1.00 1.11 C ATOM 2459 C ASP A 156 12.921 -4.905 4.512 1.00 1.28 C ATOM 2460 O ASP A 156 13.963 -4.824 5.165 1.00 1.72 O ATOM 2461 CB ASP A 156 13.101 -7.289 3.595 1.00 1.24 C ATOM 2462 CG ASP A 156 13.800 -6.725 2.353 1.00 1.50 C ATOM 2463 OD1 ASP A 156 13.199 -5.905 1.616 1.00 2.15 O ATOM 2464 OD2 ASP A 156 15.015 -6.973 2.200 1.00 2.63 O ATOM 0 H ASP A 156 11.014 -6.567 2.646 1.00 0.97 H new ATOM 0 HA ASP A 156 11.999 -6.602 5.338 1.00 1.11 H new ATOM 0 HB2 ASP A 156 13.856 -7.659 4.289 1.00 1.24 H new ATOM 0 HB3 ASP A 156 12.492 -8.144 3.301 1.00 1.24 H new ATOM 2469 N LYS A 157 12.392 -3.827 3.918 1.00 1.03 N ATOM 2470 CA LYS A 157 12.619 -2.445 4.345 1.00 0.98 C ATOM 2471 C LYS A 157 11.465 -1.937 5.240 1.00 1.16 C ATOM 2472 O LYS A 157 11.716 -1.264 6.236 1.00 1.23 O ATOM 2473 CB LYS A 157 12.767 -1.515 3.117 1.00 1.02 C ATOM 2474 CG LYS A 157 13.768 -1.890 2.008 1.00 1.51 C ATOM 2475 CD LYS A 157 15.251 -1.879 2.407 1.00 1.81 C ATOM 2476 CE LYS A 157 15.705 -3.116 3.189 1.00 2.16 C ATOM 2477 NZ LYS A 157 15.541 -4.357 2.401 1.00 2.85 N ATOM 0 H LYS A 157 11.779 -3.897 3.106 1.00 1.03 H new ATOM 0 HA LYS A 157 13.542 -2.429 4.925 1.00 0.98 H new ATOM 0 HB2 LYS A 157 11.784 -1.423 2.655 1.00 1.02 H new ATOM 0 HB3 LYS A 157 13.040 -0.526 3.485 1.00 1.02 H new ATOM 0 HG2 LYS A 157 13.518 -2.886 1.642 1.00 1.51 H new ATOM 0 HG3 LYS A 157 13.631 -1.201 1.175 1.00 1.51 H new ATOM 0 HD2 LYS A 157 15.857 -1.792 1.505 1.00 1.81 H new ATOM 0 HD3 LYS A 157 15.446 -0.992 3.009 1.00 1.81 H new ATOM 0 HE2 LYS A 157 16.751 -3.002 3.473 1.00 2.16 H new ATOM 0 HE3 LYS A 157 15.130 -3.193 4.112 1.00 2.16 H new ATOM 0 HZ1 LYS A 157 15.746 -5.180 3.003 1.00 2.85 H new ATOM 0 HZ2 LYS A 157 14.564 -4.419 2.051 1.00 2.85 H new ATOM 0 HZ3 LYS A 157 16.198 -4.346 1.595 1.00 2.85 H new ATOM 2491 N ALA A 158 10.212 -2.210 4.872 1.00 0.81 N ATOM 2492 CA ALA A 158 9.015 -1.580 5.439 1.00 0.83 C ATOM 2493 C ALA A 158 8.801 -1.866 6.934 1.00 1.02 C ATOM 2494 O ALA A 158 8.370 -0.961 7.648 1.00 1.11 O ATOM 2495 CB ALA A 158 7.798 -2.008 4.610 1.00 0.84 C ATOM 0 H ALA A 158 9.994 -2.896 4.149 1.00 0.81 H new ATOM 0 HA ALA A 158 9.156 -0.501 5.384 1.00 0.83 H new ATOM 0 HB1 ALA A 158 6.899 -1.547 5.019 1.00 0.84 H new ATOM 0 HB2 ALA A 158 7.931 -1.688 3.576 1.00 0.84 H new ATOM 0 HB3 ALA A 158 7.698 -3.093 4.644 1.00 0.84 H new ATOM 2501 N GLU A 159 9.147 -3.064 7.422 1.00 0.74 N ATOM 2502 CA GLU A 159 9.018 -3.418 8.846 1.00 0.79 C ATOM 2503 C GLU A 159 9.801 -2.466 9.778 1.00 1.22 C ATOM 2504 O GLU A 159 9.399 -2.206 10.917 1.00 1.53 O ATOM 2505 CB GLU A 159 9.487 -4.863 9.066 1.00 0.91 C ATOM 2506 CG GLU A 159 8.526 -5.886 8.442 1.00 1.08 C ATOM 2507 CD GLU A 159 8.998 -7.307 8.736 1.00 1.83 C ATOM 2508 OE1 GLU A 159 9.976 -7.724 8.080 1.00 3.16 O ATOM 2509 OE2 GLU A 159 8.371 -7.955 9.605 1.00 2.41 O ATOM 0 H GLU A 159 9.524 -3.815 6.844 1.00 0.74 H new ATOM 0 HA GLU A 159 7.964 -3.318 9.104 1.00 0.79 H new ATOM 0 HB2 GLU A 159 10.480 -4.990 8.635 1.00 0.91 H new ATOM 0 HB3 GLU A 159 9.576 -5.056 10.135 1.00 0.91 H new ATOM 0 HG2 GLU A 159 7.521 -5.740 8.839 1.00 1.08 H new ATOM 0 HG3 GLU A 159 8.469 -5.731 7.365 1.00 1.08 H new ATOM 2516 N ALA A 160 10.913 -1.898 9.294 1.00 0.88 N ATOM 2517 CA ALA A 160 11.767 -0.989 10.052 1.00 0.93 C ATOM 2518 C ALA A 160 11.126 0.408 10.190 1.00 1.18 C ATOM 2519 O ALA A 160 11.571 1.372 9.563 1.00 1.17 O ATOM 2520 CB ALA A 160 13.166 -0.981 9.415 1.00 0.91 C ATOM 0 H ALA A 160 11.247 -2.064 8.345 1.00 0.88 H new ATOM 0 HA ALA A 160 11.877 -1.339 11.079 1.00 0.93 H new ATOM 0 HB1 ALA A 160 13.815 -0.305 9.972 1.00 0.91 H new ATOM 0 HB2 ALA A 160 13.583 -1.988 9.440 1.00 0.91 H new ATOM 0 HB3 ALA A 160 13.093 -0.644 8.381 1.00 0.91 H new ATOM 2526 N THR A 161 10.106 0.509 11.060 1.00 1.11 N ATOM 2527 CA THR A 161 9.275 1.697 11.373 1.00 1.22 C ATOM 2528 C THR A 161 10.012 3.022 11.224 1.00 1.49 C ATOM 2529 O THR A 161 9.628 3.843 10.397 1.00 1.72 O ATOM 2530 CB THR A 161 8.687 1.566 12.785 1.00 1.37 C ATOM 2531 OG1 THR A 161 7.791 0.481 12.796 1.00 1.37 O ATOM 2532 CG2 THR A 161 7.911 2.808 13.233 1.00 1.55 C ATOM 0 H THR A 161 9.814 -0.299 11.609 1.00 1.11 H new ATOM 0 HA THR A 161 8.475 1.717 10.633 1.00 1.22 H new ATOM 0 HB THR A 161 9.525 1.428 13.468 1.00 1.37 H new ATOM 0 HG1 THR A 161 7.407 0.383 13.692 1.00 1.37 H new ATOM 0 HG21 THR A 161 7.522 2.651 14.239 1.00 1.55 H new ATOM 0 HG22 THR A 161 8.575 3.672 13.232 1.00 1.55 H new ATOM 0 HG23 THR A 161 7.083 2.987 12.547 1.00 1.55 H new ATOM 2540 N ASP A 162 11.090 3.244 11.974 1.00 1.50 N ATOM 2541 CA ASP A 162 11.825 4.516 11.975 1.00 1.72 C ATOM 2542 C ASP A 162 12.446 4.913 10.624 1.00 2.02 C ATOM 2543 O ASP A 162 12.701 6.092 10.402 1.00 2.12 O ATOM 2544 CB ASP A 162 12.879 4.499 13.087 1.00 2.00 C ATOM 2545 CG ASP A 162 12.200 4.769 14.425 1.00 2.27 C ATOM 2546 OD1 ASP A 162 11.563 3.847 14.978 1.00 2.22 O ATOM 2547 OD2 ASP A 162 12.244 5.920 14.912 1.00 3.58 O ATOM 0 H ASP A 162 11.484 2.545 12.603 1.00 1.50 H new ATOM 0 HA ASP A 162 11.084 5.292 12.167 1.00 1.72 H new ATOM 0 HB2 ASP A 162 13.385 3.534 13.110 1.00 2.00 H new ATOM 0 HB3 ASP A 162 13.641 5.254 12.894 1.00 2.00 H new ATOM 2552 N ARG A 163 12.638 3.962 9.702 1.00 1.67 N ATOM 2553 CA ARG A 163 12.987 4.236 8.302 1.00 1.71 C ATOM 2554 C ARG A 163 11.787 4.821 7.541 1.00 1.76 C ATOM 2555 O ARG A 163 11.931 5.838 6.874 1.00 2.04 O ATOM 2556 CB ARG A 163 13.522 2.974 7.600 1.00 1.70 C ATOM 2557 CG ARG A 163 14.564 2.178 8.410 1.00 1.69 C ATOM 2558 CD ARG A 163 15.811 2.970 8.807 1.00 1.99 C ATOM 2559 NE ARG A 163 16.775 2.109 9.520 1.00 1.81 N ATOM 2560 CZ ARG A 163 16.775 1.829 10.818 1.00 2.39 C ATOM 2561 NH1 ARG A 163 15.919 2.383 11.655 1.00 3.21 N ATOM 2562 NH2 ARG A 163 17.658 0.982 11.306 1.00 3.17 N ATOM 0 H ARG A 163 12.554 2.967 9.910 1.00 1.67 H new ATOM 0 HA ARG A 163 13.784 4.979 8.299 1.00 1.71 H new ATOM 0 HB2 ARG A 163 12.682 2.318 7.371 1.00 1.70 H new ATOM 0 HB3 ARG A 163 13.967 3.265 6.649 1.00 1.70 H new ATOM 0 HG2 ARG A 163 14.088 1.800 9.315 1.00 1.69 H new ATOM 0 HG3 ARG A 163 14.872 1.311 7.826 1.00 1.69 H new ATOM 0 HD2 ARG A 163 16.280 3.389 7.917 1.00 1.99 H new ATOM 0 HD3 ARG A 163 15.527 3.809 9.442 1.00 1.99 H new ATOM 0 HE ARG A 163 17.515 1.687 8.959 1.00 1.81 H new ATOM 0 HH11 ARG A 163 15.228 3.050 11.311 1.00 3.21 H new ATOM 0 HH12 ARG A 163 15.948 2.144 12.646 1.00 3.21 H new ATOM 0 HH21 ARG A 163 18.340 0.543 10.687 1.00 3.17 H new ATOM 0 HH22 ARG A 163 17.660 0.765 12.303 1.00 3.17 H new ATOM 2576 N VAL A 164 10.599 4.237 7.726 1.00 1.42 N ATOM 2577 CA VAL A 164 9.328 4.737 7.161 1.00 1.29 C ATOM 2578 C VAL A 164 8.934 6.086 7.793 1.00 1.34 C ATOM 2579 O VAL A 164 8.534 6.990 7.066 1.00 1.40 O ATOM 2580 CB VAL A 164 8.185 3.697 7.297 1.00 1.15 C ATOM 2581 CG1 VAL A 164 6.870 4.184 6.660 1.00 1.11 C ATOM 2582 CG2 VAL A 164 8.576 2.357 6.645 1.00 1.23 C ATOM 0 H VAL A 164 10.485 3.389 8.281 1.00 1.42 H new ATOM 0 HA VAL A 164 9.489 4.898 6.095 1.00 1.29 H new ATOM 0 HB VAL A 164 8.027 3.562 8.367 1.00 1.15 H new ATOM 0 HG11 VAL A 164 6.102 3.420 6.782 1.00 1.11 H new ATOM 0 HG12 VAL A 164 6.548 5.104 7.148 1.00 1.11 H new ATOM 0 HG13 VAL A 164 7.028 4.373 5.598 1.00 1.11 H new ATOM 0 HG21 VAL A 164 7.757 1.646 6.755 1.00 1.23 H new ATOM 0 HG22 VAL A 164 8.781 2.514 5.586 1.00 1.23 H new ATOM 0 HG23 VAL A 164 9.467 1.962 7.132 1.00 1.23 H new ATOM 2592 N VAL A 165 9.124 6.260 9.110 1.00 1.20 N ATOM 2593 CA VAL A 165 9.012 7.578 9.769 1.00 1.19 C ATOM 2594 C VAL A 165 9.961 8.587 9.116 1.00 1.44 C ATOM 2595 O VAL A 165 9.518 9.653 8.719 1.00 1.60 O ATOM 2596 CB VAL A 165 9.315 7.521 11.284 1.00 1.27 C ATOM 2597 CG1 VAL A 165 9.352 8.909 11.957 1.00 1.41 C ATOM 2598 CG2 VAL A 165 8.280 6.663 12.018 1.00 1.35 C ATOM 0 H VAL A 165 9.358 5.499 9.748 1.00 1.20 H new ATOM 0 HA VAL A 165 7.976 7.892 9.644 1.00 1.19 H new ATOM 0 HB VAL A 165 10.309 7.080 11.360 1.00 1.27 H new ATOM 0 HG11 VAL A 165 9.570 8.793 13.019 1.00 1.41 H new ATOM 0 HG12 VAL A 165 10.127 9.518 11.492 1.00 1.41 H new ATOM 0 HG13 VAL A 165 8.385 9.398 11.836 1.00 1.41 H new ATOM 0 HG21 VAL A 165 8.516 6.639 13.082 1.00 1.35 H new ATOM 0 HG22 VAL A 165 7.287 7.090 11.876 1.00 1.35 H new ATOM 0 HG23 VAL A 165 8.300 5.649 11.619 1.00 1.35 H new ATOM 2608 N ALA A 166 11.254 8.268 9.003 1.00 1.29 N ATOM 2609 CA ALA A 166 12.264 9.181 8.469 1.00 1.37 C ATOM 2610 C ALA A 166 11.982 9.644 7.037 1.00 1.56 C ATOM 2611 O ALA A 166 12.075 10.843 6.781 1.00 1.58 O ATOM 2612 CB ALA A 166 13.623 8.477 8.547 1.00 1.63 C ATOM 0 H ALA A 166 11.630 7.362 9.282 1.00 1.29 H new ATOM 0 HA ALA A 166 12.250 10.089 9.072 1.00 1.37 H new ATOM 0 HB1 ALA A 166 14.397 9.136 8.154 1.00 1.63 H new ATOM 0 HB2 ALA A 166 13.847 8.232 9.585 1.00 1.63 H new ATOM 0 HB3 ALA A 166 13.593 7.561 7.957 1.00 1.63 H new ATOM 2618 N ASP A 167 11.622 8.738 6.123 1.00 1.42 N ATOM 2619 CA ASP A 167 11.274 9.116 4.744 1.00 1.52 C ATOM 2620 C ASP A 167 10.021 9.997 4.708 1.00 1.73 C ATOM 2621 O ASP A 167 10.033 11.056 4.086 1.00 1.73 O ATOM 2622 CB ASP A 167 11.062 7.873 3.863 1.00 1.82 C ATOM 2623 CG ASP A 167 12.337 7.401 3.160 1.00 1.64 C ATOM 2624 OD1 ASP A 167 13.038 8.248 2.561 1.00 2.67 O ATOM 2625 OD2 ASP A 167 12.579 6.172 3.186 1.00 1.82 O ATOM 0 H ASP A 167 11.563 7.737 6.310 1.00 1.42 H new ATOM 0 HA ASP A 167 12.113 9.687 4.346 1.00 1.52 H new ATOM 0 HB2 ASP A 167 10.674 7.062 4.479 1.00 1.82 H new ATOM 0 HB3 ASP A 167 10.303 8.094 3.113 1.00 1.82 H new ATOM 2630 N LEU A 168 8.959 9.602 5.421 1.00 1.34 N ATOM 2631 CA LEU A 168 7.723 10.389 5.493 1.00 1.31 C ATOM 2632 C LEU A 168 7.954 11.755 6.144 1.00 1.58 C ATOM 2633 O LEU A 168 7.312 12.716 5.762 1.00 1.75 O ATOM 2634 CB LEU A 168 6.637 9.602 6.245 1.00 1.32 C ATOM 2635 CG LEU A 168 6.103 8.363 5.495 1.00 1.40 C ATOM 2636 CD1 LEU A 168 5.167 7.589 6.432 1.00 1.51 C ATOM 2637 CD2 LEU A 168 5.346 8.738 4.213 1.00 1.94 C ATOM 0 H LEU A 168 8.932 8.736 5.959 1.00 1.34 H new ATOM 0 HA LEU A 168 7.385 10.573 4.473 1.00 1.31 H new ATOM 0 HB2 LEU A 168 7.039 9.283 7.207 1.00 1.32 H new ATOM 0 HB3 LEU A 168 5.802 10.271 6.455 1.00 1.32 H new ATOM 0 HG LEU A 168 6.956 7.752 5.200 1.00 1.40 H new ATOM 0 HD11 LEU A 168 4.781 6.710 5.916 1.00 1.51 H new ATOM 0 HD12 LEU A 168 5.717 7.276 7.319 1.00 1.51 H new ATOM 0 HD13 LEU A 168 4.336 8.230 6.727 1.00 1.51 H new ATOM 0 HD21 LEU A 168 4.991 7.832 3.722 1.00 1.94 H new ATOM 0 HD22 LEU A 168 4.496 9.372 4.465 1.00 1.94 H new ATOM 0 HD23 LEU A 168 6.014 9.277 3.541 1.00 1.94 H new ATOM 2649 N GLN A 169 8.873 11.859 7.097 1.00 1.15 N ATOM 2650 CA GLN A 169 9.278 13.111 7.737 1.00 1.12 C ATOM 2651 C GLN A 169 10.081 14.029 6.811 1.00 1.46 C ATOM 2652 O GLN A 169 9.931 15.246 6.885 1.00 1.54 O ATOM 2653 CB GLN A 169 10.108 12.749 8.978 1.00 1.10 C ATOM 2654 CG GLN A 169 9.203 12.379 10.159 1.00 1.22 C ATOM 2655 CD GLN A 169 8.610 13.608 10.827 1.00 1.87 C ATOM 2656 OE1 GLN A 169 7.431 13.903 10.743 1.00 2.81 O ATOM 2657 NE2 GLN A 169 9.412 14.381 11.514 1.00 2.31 N ATOM 0 H GLN A 169 9.375 11.049 7.460 1.00 1.15 H new ATOM 0 HA GLN A 169 8.381 13.671 8.004 1.00 1.12 H new ATOM 0 HB2 GLN A 169 10.769 11.913 8.746 1.00 1.10 H new ATOM 0 HB3 GLN A 169 10.743 13.591 9.253 1.00 1.10 H new ATOM 0 HG2 GLN A 169 8.398 11.732 9.810 1.00 1.22 H new ATOM 0 HG3 GLN A 169 9.776 11.809 10.891 1.00 1.22 H new ATOM 0 HE21 GLN A 169 10.402 14.147 11.593 1.00 2.31 H new ATOM 0 HE22 GLN A 169 9.047 15.217 11.970 1.00 2.31 H new ATOM 2666 N ALA A 170 10.971 13.468 5.995 1.00 1.17 N ATOM 2667 CA ALA A 170 11.787 14.194 5.025 1.00 1.32 C ATOM 2668 C ALA A 170 11.071 14.615 3.727 1.00 1.52 C ATOM 2669 O ALA A 170 11.566 15.501 3.030 1.00 1.84 O ATOM 2670 CB ALA A 170 12.999 13.307 4.733 1.00 1.42 C ATOM 0 H ALA A 170 11.149 12.464 5.991 1.00 1.17 H new ATOM 0 HA ALA A 170 12.063 15.152 5.465 1.00 1.32 H new ATOM 0 HB1 ALA A 170 13.647 13.803 4.010 1.00 1.42 H new ATOM 0 HB2 ALA A 170 13.552 13.132 5.656 1.00 1.42 H new ATOM 0 HB3 ALA A 170 12.662 12.354 4.325 1.00 1.42 H new ATOM 2676 N LEU A 171 9.991 13.920 3.351 1.00 1.46 N ATOM 2677 CA LEU A 171 9.389 13.966 2.007 1.00 1.76 C ATOM 2678 C LEU A 171 7.885 14.285 2.028 1.00 1.87 C ATOM 2679 O LEU A 171 7.228 14.172 0.993 1.00 2.19 O ATOM 2680 CB LEU A 171 9.653 12.621 1.291 1.00 2.39 C ATOM 2681 CG LEU A 171 11.122 12.159 1.259 1.00 2.86 C ATOM 2682 CD1 LEU A 171 11.214 10.736 0.697 1.00 3.46 C ATOM 2683 CD2 LEU A 171 12.026 13.089 0.442 1.00 3.53 C ATOM 0 H LEU A 171 9.497 13.294 3.986 1.00 1.46 H new ATOM 0 HA LEU A 171 9.859 14.784 1.461 1.00 1.76 H new ATOM 0 HB2 LEU A 171 9.059 11.848 1.778 1.00 2.39 H new ATOM 0 HB3 LEU A 171 9.294 12.700 0.265 1.00 2.39 H new ATOM 0 HG LEU A 171 11.478 12.184 2.289 1.00 2.86 H new ATOM 0 HD11 LEU A 171 12.257 10.419 0.679 1.00 3.46 H new ATOM 0 HD12 LEU A 171 10.639 10.058 1.328 1.00 3.46 H new ATOM 0 HD13 LEU A 171 10.811 10.718 -0.316 1.00 3.46 H new ATOM 0 HD21 LEU A 171 13.048 12.710 0.458 1.00 3.53 H new ATOM 0 HD22 LEU A 171 11.670 13.130 -0.587 1.00 3.53 H new ATOM 0 HD23 LEU A 171 12.004 14.090 0.874 1.00 3.53 H new ATOM 2695 N LEU A 172 7.350 14.654 3.202 1.00 1.62 N ATOM 2696 CA LEU A 172 5.963 15.110 3.430 1.00 1.86 C ATOM 2697 C LEU A 172 5.507 16.330 2.612 1.00 2.25 C ATOM 2698 O LEU A 172 4.277 16.563 2.579 1.00 2.36 O ATOM 2699 CB LEU A 172 5.645 15.161 4.939 1.00 1.97 C ATOM 2700 CG LEU A 172 6.715 15.792 5.829 1.00 2.18 C ATOM 2701 CD1 LEU A 172 6.856 17.240 5.418 1.00 3.72 C ATOM 2702 CD2 LEU A 172 6.291 15.680 7.285 1.00 2.20 C ATOM 2703 OXT LEU A 172 6.330 17.039 1.996 1.00 3.00 O ATOM 0 H LEU A 172 7.897 14.643 4.063 1.00 1.62 H new ATOM 0 HA LEU A 172 5.318 14.344 2.998 1.00 1.86 H new ATOM 0 HB2 LEU A 172 4.715 15.713 5.076 1.00 1.97 H new ATOM 0 HB3 LEU A 172 5.465 14.144 5.287 1.00 1.97 H new ATOM 0 HG LEU A 172 7.672 15.283 5.717 1.00 2.18 H new ATOM 0 HD11 LEU A 172 7.614 17.721 6.036 1.00 3.72 H new ATOM 0 HD12 LEU A 172 7.153 17.294 4.371 1.00 3.72 H new ATOM 0 HD13 LEU A 172 5.902 17.751 5.551 1.00 3.72 H new ATOM 0 HD21 LEU A 172 7.053 16.130 7.922 1.00 2.20 H new ATOM 0 HD22 LEU A 172 5.344 16.201 7.429 1.00 2.20 H new ATOM 0 HD23 LEU A 172 6.171 14.629 7.549 1.00 2.20 H new