USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=30 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 98 HIS : no HD1:sc= -2.4 K(o=-1.2,f=-6.8!) USER MOD Set 1.2: A 100 SER OG : rot 164:sc= 1.2 USER MOD Set 2.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 157 LYS NZ :NH3+ -121:sc= 1.34 (180deg=-2.3!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.22) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 31 SER OG : rot -122:sc= 1.32 USER MOD Single : A 32 GLN : amide:sc= 0.839 K(o=0.84,f=-6.7!) USER MOD Single : A 34 GLN : amide:sc= 0.883 K(o=0.88,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 175:sc= 2.37 (180deg=2.23) USER MOD Single : A 45 THR OG1 : rot 110:sc= 1.13 USER MOD Single : A 47 CYS SG : rot -30:sc= 1.18 USER MOD Single : A 51 CYS SG : rot 158:sc= -0.827 USER MOD Single : A 53 THR OG1 : rot -148:sc= -0.014 USER MOD Single : A 54 THR OG1 : rot -61:sc= 1.29 USER MOD Single : A 59 LYS NZ :NH3+ -179:sc= 1.14 (180deg=1.13) USER MOD Single : A 62 TYR OH : rot 0:sc= -0.0208 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -178:sc= 1 (180deg=0.905) USER MOD Single : A 70 GLN : amide:sc= 0.836 K(o=0.84,f=-2.9!) USER MOD Single : A 74 GLN : amide:sc= -0.0619 X(o=-0.062,f=-0.16) USER MOD Single : A 79 SER OG : rot 86:sc= 1.22 USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0685 USER MOD Single : A 95 LYS NZ :NH3+ -170:sc= 0.266 (180deg=-0.139!) USER MOD Single : A 105 SER OG : rot 157:sc= 0.119 USER MOD Single : A 107 SER OG : rot 91:sc= 1.54 USER MOD Single : A 116 GLN : amide:sc= 0.891 K(o=0.89,f=-5!) USER MOD Single : A 117 THR OG1 : rot 84:sc= 1.15 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 LYS NZ :NH3+ -145:sc= 2.36 (180deg=0.529) USER MOD Single : A 137 HIS : no HD1:sc= -0.709 K(o=-0.71,f=-1.2) USER MOD Single : A 138 THR OG1 : rot 84:sc= 1.26 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= -0.0216 USER MOD Single : A 145 LYS NZ :NH3+ -165:sc= 1.85 (180deg=1.44) USER MOD Single : A 153 TYR OH : rot 180:sc=-0.00125 USER MOD Single : A 154 SER OG : rot 180:sc= -0.135 USER MOD Single : A 161 THR OG1 : rot -60:sc= 1.01 USER MOD Single : A 169 GLN : amide:sc= -0.232 X(o=-0.23,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 15.868 4.144 5.568 1.00 1.72 N ATOM 90 CA TYR A 7 15.902 2.745 5.104 1.00 1.58 C ATOM 91 C TYR A 7 15.175 2.504 3.759 1.00 1.40 C ATOM 92 O TYR A 7 15.487 1.523 3.085 1.00 1.41 O ATOM 93 CB TYR A 7 15.357 1.793 6.196 1.00 1.90 C ATOM 94 CG TYR A 7 15.737 0.319 6.105 1.00 1.72 C ATOM 95 CD1 TYR A 7 17.044 -0.072 5.739 1.00 2.58 C ATOM 96 CD2 TYR A 7 14.804 -0.674 6.479 1.00 2.57 C ATOM 97 CE1 TYR A 7 17.395 -1.434 5.676 1.00 3.21 C ATOM 98 CE2 TYR A 7 15.160 -2.038 6.452 1.00 2.70 C ATOM 99 CZ TYR A 7 16.448 -2.423 6.018 1.00 2.73 C ATOM 100 OH TYR A 7 16.774 -3.743 5.916 1.00 3.57 O ATOM 0 HA TYR A 7 16.953 2.523 4.916 1.00 1.58 H new ATOM 0 HB2 TYR A 7 15.691 2.166 7.164 1.00 1.90 H new ATOM 0 HB3 TYR A 7 14.269 1.860 6.187 1.00 1.90 H new ATOM 0 HD1 TYR A 7 17.782 0.681 5.505 1.00 2.58 H new ATOM 0 HD2 TYR A 7 13.810 -0.386 6.788 1.00 2.57 H new ATOM 0 HE1 TYR A 7 18.389 -1.722 5.366 1.00 3.21 H new ATOM 0 HE2 TYR A 7 14.448 -2.788 6.763 1.00 2.70 H new ATOM 0 HH TYR A 7 16.009 -4.291 6.191 1.00 3.57 H new ATOM 110 N GLY A 8 14.237 3.370 3.344 1.00 1.21 N ATOM 111 CA GLY A 8 13.530 3.287 2.060 1.00 1.14 C ATOM 112 C GLY A 8 14.325 3.874 0.887 1.00 1.38 C ATOM 113 O GLY A 8 15.160 4.769 1.047 1.00 1.85 O ATOM 0 H GLY A 8 13.943 4.167 3.908 1.00 1.21 H new ATOM 0 HA2 GLY A 8 13.300 2.243 1.847 1.00 1.14 H new ATOM 0 HA3 GLY A 8 12.578 3.812 2.143 1.00 1.14 H new ATOM 117 N THR A 9 14.040 3.382 -0.323 1.00 1.15 N ATOM 118 CA THR A 9 14.722 3.780 -1.565 1.00 1.28 C ATOM 119 C THR A 9 14.034 5.003 -2.150 1.00 1.39 C ATOM 120 O THR A 9 13.119 4.913 -2.974 1.00 1.12 O ATOM 121 CB THR A 9 14.738 2.639 -2.574 1.00 1.39 C ATOM 122 OG1 THR A 9 15.066 1.435 -1.926 1.00 1.66 O ATOM 123 CG2 THR A 9 15.740 2.876 -3.701 1.00 1.63 C ATOM 0 H THR A 9 13.314 2.681 -0.473 1.00 1.15 H new ATOM 0 HA THR A 9 15.758 4.026 -1.332 1.00 1.28 H new ATOM 0 HB THR A 9 13.741 2.584 -3.011 1.00 1.39 H new ATOM 0 HG1 THR A 9 15.073 0.704 -2.578 1.00 1.66 H new ATOM 0 HG21 THR A 9 15.714 2.035 -4.394 1.00 1.63 H new ATOM 0 HG22 THR A 9 15.481 3.792 -4.232 1.00 1.63 H new ATOM 0 HG23 THR A 9 16.742 2.970 -3.283 1.00 1.63 H new ATOM 131 N ARG A 10 14.443 6.167 -1.663 1.00 1.43 N ATOM 132 CA ARG A 10 13.880 7.444 -2.083 1.00 1.42 C ATOM 133 C ARG A 10 14.301 7.795 -3.501 1.00 1.60 C ATOM 134 O ARG A 10 15.464 7.683 -3.886 1.00 1.87 O ATOM 135 CB ARG A 10 14.212 8.547 -1.078 1.00 1.84 C ATOM 136 CG ARG A 10 13.476 9.854 -1.392 1.00 2.09 C ATOM 137 CD ARG A 10 13.783 10.860 -0.288 1.00 2.77 C ATOM 138 NE ARG A 10 13.279 12.217 -0.579 1.00 3.24 N ATOM 139 CZ ARG A 10 13.542 13.288 0.165 1.00 3.93 C ATOM 140 NH1 ARG A 10 14.215 13.187 1.293 1.00 4.86 N ATOM 141 NH2 ARG A 10 13.162 14.489 -0.217 1.00 4.42 N ATOM 0 H ARG A 10 15.179 6.253 -0.962 1.00 1.43 H new ATOM 0 HA ARG A 10 12.794 7.350 -2.099 1.00 1.42 H new ATOM 0 HB2 ARG A 10 13.947 8.214 -0.075 1.00 1.84 H new ATOM 0 HB3 ARG A 10 15.287 8.727 -1.080 1.00 1.84 H new ATOM 0 HG2 ARG A 10 13.793 10.244 -2.359 1.00 2.09 H new ATOM 0 HG3 ARG A 10 12.402 9.678 -1.456 1.00 2.09 H new ATOM 0 HD2 ARG A 10 13.344 10.509 0.646 1.00 2.77 H new ATOM 0 HD3 ARG A 10 14.861 10.905 -0.136 1.00 2.77 H new ATOM 0 HE ARG A 10 12.691 12.341 -1.403 1.00 3.24 H new ATOM 0 HH11 ARG A 10 14.545 12.275 1.610 1.00 4.86 H new ATOM 0 HH12 ARG A 10 14.406 14.020 1.849 1.00 4.86 H new ATOM 0 HH21 ARG A 10 12.658 14.609 -1.095 1.00 4.42 H new ATOM 0 HH22 ARG A 10 13.372 15.300 0.365 1.00 4.42 H new ATOM 155 N LEU A 11 13.316 8.238 -4.271 1.00 1.22 N ATOM 156 CA LEU A 11 13.443 8.451 -5.714 1.00 1.18 C ATOM 157 C LEU A 11 13.812 9.907 -6.025 1.00 1.66 C ATOM 158 O LEU A 11 13.143 10.832 -5.571 1.00 2.22 O ATOM 159 CB LEU A 11 12.152 7.993 -6.426 1.00 0.89 C ATOM 160 CG LEU A 11 11.809 6.496 -6.232 1.00 0.98 C ATOM 161 CD1 LEU A 11 10.513 6.165 -6.982 1.00 1.01 C ATOM 162 CD2 LEU A 11 12.930 5.565 -6.722 1.00 1.27 C ATOM 0 H LEU A 11 12.390 8.464 -3.909 1.00 1.22 H new ATOM 0 HA LEU A 11 14.261 7.843 -6.100 1.00 1.18 H new ATOM 0 HB2 LEU A 11 11.319 8.594 -6.062 1.00 0.89 H new ATOM 0 HB3 LEU A 11 12.249 8.195 -7.493 1.00 0.89 H new ATOM 0 HG LEU A 11 11.688 6.329 -5.162 1.00 0.98 H new ATOM 0 HD11 LEU A 11 10.272 5.111 -6.845 1.00 1.01 H new ATOM 0 HD12 LEU A 11 9.700 6.777 -6.591 1.00 1.01 H new ATOM 0 HD13 LEU A 11 10.644 6.372 -8.044 1.00 1.01 H new ATOM 0 HD21 LEU A 11 12.637 4.527 -6.562 1.00 1.27 H new ATOM 0 HD22 LEU A 11 13.104 5.733 -7.785 1.00 1.27 H new ATOM 0 HD23 LEU A 11 13.845 5.773 -6.167 1.00 1.27 H new ATOM 174 N LEU A 12 14.882 10.092 -6.810 1.00 1.39 N ATOM 175 CA LEU A 12 15.378 11.406 -7.245 1.00 1.55 C ATOM 176 C LEU A 12 14.643 11.921 -8.491 1.00 1.65 C ATOM 177 O LEU A 12 14.438 13.122 -8.622 1.00 2.04 O ATOM 178 CB LEU A 12 16.902 11.341 -7.503 1.00 2.01 C ATOM 179 CG LEU A 12 17.836 11.240 -6.272 1.00 2.59 C ATOM 180 CD1 LEU A 12 17.620 12.391 -5.277 1.00 4.07 C ATOM 181 CD2 LEU A 12 17.738 9.898 -5.532 1.00 3.66 C ATOM 0 H LEU A 12 15.439 9.316 -7.168 1.00 1.39 H new ATOM 0 HA LEU A 12 15.179 12.114 -6.440 1.00 1.55 H new ATOM 0 HB2 LEU A 12 17.097 10.481 -8.144 1.00 2.01 H new ATOM 0 HB3 LEU A 12 17.185 12.230 -8.067 1.00 2.01 H new ATOM 0 HG LEU A 12 18.841 11.314 -6.688 1.00 2.59 H new ATOM 0 HD11 LEU A 12 18.299 12.274 -4.432 1.00 4.07 H new ATOM 0 HD12 LEU A 12 17.818 13.342 -5.772 1.00 4.07 H new ATOM 0 HD13 LEU A 12 16.590 12.375 -4.920 1.00 4.07 H new ATOM 0 HD21 LEU A 12 18.420 9.901 -4.682 1.00 3.66 H new ATOM 0 HD22 LEU A 12 16.718 9.751 -5.178 1.00 3.66 H new ATOM 0 HD23 LEU A 12 18.007 9.088 -6.210 1.00 3.66 H new ATOM 193 N ASN A 13 14.190 11.021 -9.369 1.00 1.37 N ATOM 194 CA ASN A 13 13.299 11.329 -10.491 1.00 1.47 C ATOM 195 C ASN A 13 11.895 10.728 -10.225 1.00 1.41 C ATOM 196 O ASN A 13 11.579 9.666 -10.766 1.00 1.49 O ATOM 197 CB ASN A 13 13.932 10.808 -11.796 1.00 1.87 C ATOM 198 CG ASN A 13 15.149 11.630 -12.211 1.00 3.12 C ATOM 199 OD1 ASN A 13 15.016 12.707 -12.768 1.00 3.76 O ATOM 200 ND2 ASN A 13 16.357 11.157 -11.959 1.00 4.53 N ATOM 0 H ASN A 13 14.439 10.033 -9.318 1.00 1.37 H new ATOM 0 HA ASN A 13 13.169 12.406 -10.595 1.00 1.47 H new ATOM 0 HB2 ASN A 13 14.226 9.766 -11.665 1.00 1.87 H new ATOM 0 HB3 ASN A 13 13.189 10.832 -12.594 1.00 1.87 H new ATOM 0 HD21 ASN A 13 17.181 11.693 -12.230 1.00 4.53 H new ATOM 0 HD22 ASN A 13 16.465 10.256 -11.493 1.00 4.53 H new ATOM 207 N PRO A 14 11.065 11.347 -9.354 1.00 1.23 N ATOM 208 CA PRO A 14 9.783 10.785 -8.944 1.00 1.18 C ATOM 209 C PRO A 14 8.741 10.890 -10.067 1.00 1.25 C ATOM 210 O PRO A 14 8.448 11.972 -10.584 1.00 1.34 O ATOM 211 CB PRO A 14 9.397 11.551 -7.676 1.00 1.32 C ATOM 212 CG PRO A 14 10.051 12.917 -7.870 1.00 1.45 C ATOM 213 CD PRO A 14 11.349 12.551 -8.584 1.00 1.42 C ATOM 0 HA PRO A 14 9.841 9.716 -8.738 1.00 1.18 H new ATOM 0 HB2 PRO A 14 8.315 11.635 -7.572 1.00 1.32 H new ATOM 0 HB3 PRO A 14 9.766 11.054 -6.779 1.00 1.32 H new ATOM 0 HG2 PRO A 14 9.431 13.585 -8.468 1.00 1.45 H new ATOM 0 HG3 PRO A 14 10.236 13.419 -6.920 1.00 1.45 H new ATOM 0 HD2 PRO A 14 11.677 13.361 -9.235 1.00 1.42 H new ATOM 0 HD3 PRO A 14 12.151 12.374 -7.867 1.00 1.42 H new ATOM 221 N LYS A 15 8.176 9.742 -10.450 1.00 0.89 N ATOM 222 CA LYS A 15 7.272 9.619 -11.602 1.00 0.92 C ATOM 223 C LYS A 15 5.799 9.787 -11.179 1.00 1.11 C ATOM 224 O LYS A 15 5.384 9.106 -10.237 1.00 1.21 O ATOM 225 CB LYS A 15 7.491 8.244 -12.244 1.00 1.04 C ATOM 226 CG LYS A 15 6.733 8.035 -13.570 1.00 1.44 C ATOM 227 CD LYS A 15 6.485 6.554 -13.882 1.00 1.81 C ATOM 228 CE LYS A 15 5.330 6.015 -13.023 1.00 2.03 C ATOM 229 NZ LYS A 15 5.069 4.581 -13.275 1.00 2.63 N ATOM 0 H LYS A 15 8.334 8.859 -9.964 1.00 0.89 H new ATOM 0 HA LYS A 15 7.493 10.409 -12.320 1.00 0.92 H new ATOM 0 HB2 LYS A 15 8.557 8.105 -12.423 1.00 1.04 H new ATOM 0 HB3 LYS A 15 7.183 7.473 -11.538 1.00 1.04 H new ATOM 0 HG2 LYS A 15 5.777 8.557 -13.524 1.00 1.44 H new ATOM 0 HG3 LYS A 15 7.303 8.483 -14.384 1.00 1.44 H new ATOM 0 HD2 LYS A 15 6.249 6.432 -14.939 1.00 1.81 H new ATOM 0 HD3 LYS A 15 7.390 5.978 -13.689 1.00 1.81 H new ATOM 0 HE2 LYS A 15 5.565 6.160 -11.969 1.00 2.03 H new ATOM 0 HE3 LYS A 15 4.427 6.589 -13.230 1.00 2.03 H new ATOM 0 HZ1 LYS A 15 4.220 4.285 -12.752 1.00 2.63 H new ATOM 0 HZ2 LYS A 15 4.919 4.429 -14.293 1.00 2.63 H new ATOM 0 HZ3 LYS A 15 5.884 4.019 -12.958 1.00 2.63 H new ATOM 243 N PRO A 16 4.998 10.623 -11.868 1.00 0.88 N ATOM 244 CA PRO A 16 3.582 10.817 -11.562 1.00 0.94 C ATOM 245 C PRO A 16 2.790 9.532 -11.859 1.00 1.07 C ATOM 246 O PRO A 16 3.205 8.749 -12.716 1.00 0.98 O ATOM 247 CB PRO A 16 3.137 12.017 -12.402 1.00 1.09 C ATOM 248 CG PRO A 16 4.097 12.012 -13.593 1.00 1.11 C ATOM 249 CD PRO A 16 5.381 11.385 -13.045 1.00 0.99 C ATOM 0 HA PRO A 16 3.401 11.021 -10.507 1.00 0.94 H new ATOM 0 HB2 PRO A 16 2.101 11.916 -12.724 1.00 1.09 H new ATOM 0 HB3 PRO A 16 3.206 12.947 -11.838 1.00 1.09 H new ATOM 0 HG2 PRO A 16 3.695 11.433 -14.424 1.00 1.11 H new ATOM 0 HG3 PRO A 16 4.275 13.021 -13.964 1.00 1.11 H new ATOM 0 HD2 PRO A 16 5.847 10.740 -13.790 1.00 0.99 H new ATOM 0 HD3 PRO A 16 6.110 12.154 -12.789 1.00 0.99 H new ATOM 257 N VAL A 17 1.681 9.313 -11.142 1.00 0.69 N ATOM 258 CA VAL A 17 0.871 8.077 -11.133 1.00 0.66 C ATOM 259 C VAL A 17 -0.568 8.364 -10.653 1.00 1.08 C ATOM 260 O VAL A 17 -0.769 9.211 -9.788 1.00 1.16 O ATOM 261 CB VAL A 17 1.475 6.972 -10.214 1.00 0.67 C ATOM 262 CG1 VAL A 17 2.737 6.318 -10.804 1.00 0.77 C ATOM 263 CG2 VAL A 17 1.815 7.457 -8.788 1.00 0.80 C ATOM 0 H VAL A 17 1.301 10.026 -10.519 1.00 0.69 H new ATOM 0 HA VAL A 17 0.867 7.716 -12.162 1.00 0.66 H new ATOM 0 HB VAL A 17 0.672 6.237 -10.153 1.00 0.67 H new ATOM 0 HG11 VAL A 17 3.108 5.558 -10.116 1.00 0.77 H new ATOM 0 HG12 VAL A 17 2.494 5.855 -11.760 1.00 0.77 H new ATOM 0 HG13 VAL A 17 3.504 7.078 -10.954 1.00 0.77 H new ATOM 0 HG21 VAL A 17 2.230 6.630 -8.212 1.00 0.80 H new ATOM 0 HG22 VAL A 17 2.546 8.264 -8.843 1.00 0.80 H new ATOM 0 HG23 VAL A 17 0.910 7.820 -8.302 1.00 0.80 H new ATOM 273 N ASP A 18 -1.552 7.621 -11.169 1.00 0.65 N ATOM 274 CA ASP A 18 -2.929 7.540 -10.647 1.00 0.63 C ATOM 275 C ASP A 18 -3.496 6.146 -10.960 1.00 0.88 C ATOM 276 O ASP A 18 -2.962 5.414 -11.794 1.00 1.33 O ATOM 277 CB ASP A 18 -3.825 8.671 -11.206 1.00 0.75 C ATOM 278 CG ASP A 18 -5.223 8.796 -10.556 1.00 1.09 C ATOM 279 OD1 ASP A 18 -5.439 8.321 -9.416 1.00 2.15 O ATOM 280 OD2 ASP A 18 -6.100 9.461 -11.151 1.00 1.98 O ATOM 0 H ASP A 18 -1.411 7.036 -11.992 1.00 0.65 H new ATOM 0 HA ASP A 18 -2.912 7.682 -9.566 1.00 0.63 H new ATOM 0 HB2 ASP A 18 -3.301 9.619 -11.085 1.00 0.75 H new ATOM 0 HB3 ASP A 18 -3.954 8.513 -12.277 1.00 0.75 H new ATOM 285 N PHE A 19 -4.573 5.769 -10.279 1.00 0.62 N ATOM 286 CA PHE A 19 -5.292 4.528 -10.523 1.00 0.65 C ATOM 287 C PHE A 19 -6.796 4.708 -10.311 1.00 1.50 C ATOM 288 O PHE A 19 -7.255 5.719 -9.790 1.00 1.74 O ATOM 289 CB PHE A 19 -4.702 3.396 -9.665 1.00 0.75 C ATOM 290 CG PHE A 19 -4.718 3.587 -8.153 1.00 0.94 C ATOM 291 CD1 PHE A 19 -5.913 3.467 -7.413 1.00 1.64 C ATOM 292 CD2 PHE A 19 -3.511 3.827 -7.471 1.00 2.15 C ATOM 293 CE1 PHE A 19 -5.897 3.600 -6.011 1.00 1.62 C ATOM 294 CE2 PHE A 19 -3.491 3.950 -6.071 1.00 2.12 C ATOM 295 CZ PHE A 19 -4.686 3.840 -5.337 1.00 1.29 C ATOM 0 H PHE A 19 -4.977 6.329 -9.528 1.00 0.62 H new ATOM 0 HA PHE A 19 -5.164 4.244 -11.568 1.00 0.65 H new ATOM 0 HB2 PHE A 19 -5.245 2.479 -9.895 1.00 0.75 H new ATOM 0 HB3 PHE A 19 -3.669 3.241 -9.975 1.00 0.75 H new ATOM 0 HD1 PHE A 19 -6.844 3.272 -7.924 1.00 1.64 H new ATOM 0 HD2 PHE A 19 -2.591 3.918 -8.029 1.00 2.15 H new ATOM 0 HE1 PHE A 19 -6.817 3.517 -5.452 1.00 1.62 H new ATOM 0 HE2 PHE A 19 -2.557 4.129 -5.558 1.00 2.12 H new ATOM 0 HZ PHE A 19 -4.674 3.939 -4.262 1.00 1.29 H new ATOM 305 N ALA A 20 -7.557 3.687 -10.691 1.00 0.63 N ATOM 306 CA ALA A 20 -8.982 3.554 -10.438 1.00 0.62 C ATOM 307 C ALA A 20 -9.252 2.130 -9.923 1.00 0.78 C ATOM 308 O ALA A 20 -8.814 1.166 -10.538 1.00 0.84 O ATOM 309 CB ALA A 20 -9.706 3.839 -11.754 1.00 0.78 C ATOM 0 H ALA A 20 -7.176 2.894 -11.208 1.00 0.63 H new ATOM 0 HA ALA A 20 -9.340 4.253 -9.682 1.00 0.62 H new ATOM 0 HB1 ALA A 20 -10.782 3.749 -11.604 1.00 0.78 H new ATOM 0 HB2 ALA A 20 -9.470 4.849 -12.088 1.00 0.78 H new ATOM 0 HB3 ALA A 20 -9.383 3.122 -12.509 1.00 0.78 H new ATOM 315 N LEU A 21 -9.935 2.025 -8.786 1.00 0.65 N ATOM 316 CA LEU A 21 -10.246 0.803 -8.040 1.00 0.59 C ATOM 317 C LEU A 21 -11.670 0.889 -7.486 1.00 0.95 C ATOM 318 O LEU A 21 -12.276 1.968 -7.462 1.00 1.15 O ATOM 319 CB LEU A 21 -9.248 0.670 -6.860 1.00 0.63 C ATOM 320 CG LEU A 21 -8.292 -0.530 -6.890 1.00 0.74 C ATOM 321 CD1 LEU A 21 -9.051 -1.855 -6.732 1.00 1.09 C ATOM 322 CD2 LEU A 21 -7.411 -0.547 -8.140 1.00 1.19 C ATOM 0 H LEU A 21 -10.315 2.852 -8.326 1.00 0.65 H new ATOM 0 HA LEU A 21 -10.166 -0.061 -8.699 1.00 0.59 H new ATOM 0 HB2 LEU A 21 -8.649 1.580 -6.818 1.00 0.63 H new ATOM 0 HB3 LEU A 21 -9.822 0.623 -5.934 1.00 0.63 H new ATOM 0 HG LEU A 21 -7.626 -0.416 -6.035 1.00 0.74 H new ATOM 0 HD11 LEU A 21 -8.344 -2.684 -6.758 1.00 1.09 H new ATOM 0 HD12 LEU A 21 -9.581 -1.859 -5.780 1.00 1.09 H new ATOM 0 HD13 LEU A 21 -9.767 -1.963 -7.546 1.00 1.09 H new ATOM 0 HD21 LEU A 21 -6.754 -1.416 -8.110 1.00 1.19 H new ATOM 0 HD22 LEU A 21 -8.041 -0.598 -9.028 1.00 1.19 H new ATOM 0 HD23 LEU A 21 -6.809 0.361 -8.174 1.00 1.19 H new ATOM 334 N GLU A 22 -12.151 -0.211 -6.909 1.00 0.59 N ATOM 335 CA GLU A 22 -13.335 -0.208 -6.050 1.00 0.55 C ATOM 336 C GLU A 22 -12.976 -0.439 -4.578 1.00 0.96 C ATOM 337 O GLU A 22 -12.009 -1.116 -4.224 1.00 1.16 O ATOM 338 CB GLU A 22 -14.392 -1.230 -6.485 1.00 0.74 C ATOM 339 CG GLU A 22 -14.961 -0.988 -7.886 1.00 1.55 C ATOM 340 CD GLU A 22 -14.294 -1.886 -8.930 1.00 2.34 C ATOM 341 OE1 GLU A 22 -13.237 -1.482 -9.455 1.00 3.45 O ATOM 342 OE2 GLU A 22 -14.776 -3.018 -9.152 1.00 2.77 O ATOM 0 H GLU A 22 -11.729 -1.133 -7.024 1.00 0.59 H new ATOM 0 HA GLU A 22 -13.765 0.787 -6.159 1.00 0.55 H new ATOM 0 HB2 GLU A 22 -13.953 -2.227 -6.451 1.00 0.74 H new ATOM 0 HB3 GLU A 22 -15.211 -1.218 -5.766 1.00 0.74 H new ATOM 0 HG2 GLU A 22 -16.035 -1.173 -7.880 1.00 1.55 H new ATOM 0 HG3 GLU A 22 -14.819 0.057 -8.161 1.00 1.55 H new ATOM 349 N GLY A 23 -13.818 0.141 -3.727 1.00 0.64 N ATOM 350 CA GLY A 23 -13.883 -0.077 -2.282 1.00 0.60 C ATOM 351 C GLY A 23 -15.343 -0.290 -1.863 1.00 0.78 C ATOM 352 O GLY A 23 -16.242 -0.059 -2.678 1.00 0.97 O ATOM 0 H GLY A 23 -14.514 0.815 -4.045 1.00 0.64 H new ATOM 0 HA2 GLY A 23 -13.284 -0.945 -2.007 1.00 0.60 H new ATOM 0 HA3 GLY A 23 -13.463 0.780 -1.755 1.00 0.60 H new ATOM 356 N PRO A 24 -15.624 -0.680 -0.607 1.00 0.62 N ATOM 357 CA PRO A 24 -16.952 -1.150 -0.213 1.00 0.83 C ATOM 358 C PRO A 24 -17.991 -0.025 -0.052 1.00 1.11 C ATOM 359 O PRO A 24 -19.160 -0.318 0.179 1.00 1.30 O ATOM 360 CB PRO A 24 -16.718 -1.923 1.083 1.00 0.91 C ATOM 361 CG PRO A 24 -15.532 -1.193 1.713 1.00 0.79 C ATOM 362 CD PRO A 24 -14.693 -0.750 0.514 1.00 0.62 C ATOM 0 HA PRO A 24 -17.392 -1.772 -0.992 1.00 0.83 H new ATOM 0 HB2 PRO A 24 -17.595 -1.900 1.730 1.00 0.91 H new ATOM 0 HB3 PRO A 24 -16.490 -2.972 0.891 1.00 0.91 H new ATOM 0 HG2 PRO A 24 -15.858 -0.341 2.309 1.00 0.79 H new ATOM 0 HG3 PRO A 24 -14.967 -1.848 2.376 1.00 0.79 H new ATOM 0 HD2 PRO A 24 -14.226 0.218 0.698 1.00 0.62 H new ATOM 0 HD3 PRO A 24 -13.890 -1.459 0.314 1.00 0.62 H new ATOM 370 N GLN A 25 -17.595 1.247 -0.195 1.00 1.04 N ATOM 371 CA GLN A 25 -18.512 2.394 -0.199 1.00 1.14 C ATOM 372 C GLN A 25 -18.602 3.101 -1.571 1.00 1.25 C ATOM 373 O GLN A 25 -19.465 3.956 -1.743 1.00 1.48 O ATOM 374 CB GLN A 25 -18.080 3.340 0.938 1.00 1.29 C ATOM 375 CG GLN A 25 -19.152 4.391 1.288 1.00 2.35 C ATOM 376 CD GLN A 25 -18.883 5.143 2.594 1.00 2.77 C ATOM 377 OE1 GLN A 25 -17.864 5.010 3.249 1.00 2.82 O ATOM 378 NE2 GLN A 25 -19.805 5.973 3.039 1.00 3.80 N ATOM 0 H GLN A 25 -16.617 1.511 -0.313 1.00 1.04 H new ATOM 0 HA GLN A 25 -19.530 2.045 -0.023 1.00 1.14 H new ATOM 0 HB2 GLN A 25 -17.853 2.751 1.827 1.00 1.29 H new ATOM 0 HB3 GLN A 25 -17.160 3.849 0.650 1.00 1.29 H new ATOM 0 HG2 GLN A 25 -19.219 5.112 0.473 1.00 2.35 H new ATOM 0 HG3 GLN A 25 -20.121 3.897 1.358 1.00 2.35 H new ATOM 0 HE21 GLN A 25 -20.669 6.106 2.513 1.00 3.80 H new ATOM 0 HE22 GLN A 25 -19.655 6.483 3.910 1.00 3.80 H new ATOM 387 N GLY A 26 -17.760 2.742 -2.557 1.00 1.12 N ATOM 388 CA GLY A 26 -17.749 3.352 -3.895 1.00 1.12 C ATOM 389 C GLY A 26 -16.409 3.237 -4.647 1.00 1.06 C ATOM 390 O GLY A 26 -15.426 2.742 -4.091 1.00 1.15 O ATOM 0 H GLY A 26 -17.059 2.010 -2.443 1.00 1.12 H new ATOM 0 HA2 GLY A 26 -18.529 2.886 -4.498 1.00 1.12 H new ATOM 0 HA3 GLY A 26 -18.007 4.407 -3.800 1.00 1.12 H new ATOM 394 N PRO A 27 -16.357 3.691 -5.917 1.00 0.92 N ATOM 395 CA PRO A 27 -15.158 3.672 -6.757 1.00 1.00 C ATOM 396 C PRO A 27 -14.171 4.784 -6.373 1.00 1.17 C ATOM 397 O PRO A 27 -14.556 5.933 -6.149 1.00 1.20 O ATOM 398 CB PRO A 27 -15.666 3.827 -8.192 1.00 1.09 C ATOM 399 CG PRO A 27 -16.944 4.653 -8.024 1.00 1.02 C ATOM 400 CD PRO A 27 -17.500 4.165 -6.687 1.00 0.98 C ATOM 0 HA PRO A 27 -14.597 2.746 -6.631 1.00 1.00 H new ATOM 0 HB2 PRO A 27 -14.938 4.336 -8.824 1.00 1.09 H new ATOM 0 HB3 PRO A 27 -15.869 2.861 -8.654 1.00 1.09 H new ATOM 0 HG2 PRO A 27 -16.733 5.722 -8.007 1.00 1.02 H new ATOM 0 HG3 PRO A 27 -17.646 4.480 -8.840 1.00 1.02 H new ATOM 0 HD2 PRO A 27 -18.015 4.970 -6.163 1.00 0.98 H new ATOM 0 HD3 PRO A 27 -18.226 3.366 -6.836 1.00 0.98 H new ATOM 408 N VAL A 28 -12.881 4.442 -6.339 1.00 0.77 N ATOM 409 CA VAL A 28 -11.825 5.159 -5.603 1.00 0.71 C ATOM 410 C VAL A 28 -10.541 5.265 -6.444 1.00 0.94 C ATOM 411 O VAL A 28 -10.212 4.351 -7.194 1.00 0.88 O ATOM 412 CB VAL A 28 -11.583 4.471 -4.228 1.00 0.87 C ATOM 413 CG1 VAL A 28 -11.433 2.942 -4.322 1.00 2.85 C ATOM 414 CG2 VAL A 28 -10.372 5.043 -3.473 1.00 2.25 C ATOM 0 H VAL A 28 -12.525 3.628 -6.841 1.00 0.77 H new ATOM 0 HA VAL A 28 -12.150 6.181 -5.410 1.00 0.71 H new ATOM 0 HB VAL A 28 -12.489 4.694 -3.665 1.00 0.87 H new ATOM 0 HG11 VAL A 28 -11.267 2.531 -3.326 1.00 2.85 H new ATOM 0 HG12 VAL A 28 -12.341 2.513 -4.745 1.00 2.85 H new ATOM 0 HG13 VAL A 28 -10.584 2.698 -4.961 1.00 2.85 H new ATOM 0 HG21 VAL A 28 -10.256 4.522 -2.523 1.00 2.25 H new ATOM 0 HG22 VAL A 28 -9.472 4.907 -4.073 1.00 2.25 H new ATOM 0 HG23 VAL A 28 -10.528 6.106 -3.287 1.00 2.25 H new ATOM 424 N ARG A 29 -9.838 6.401 -6.353 1.00 0.78 N ATOM 425 CA ARG A 29 -8.645 6.756 -7.144 1.00 0.74 C ATOM 426 C ARG A 29 -7.495 7.208 -6.225 1.00 1.27 C ATOM 427 O ARG A 29 -7.685 7.286 -5.011 1.00 1.73 O ATOM 428 CB ARG A 29 -9.011 7.899 -8.107 1.00 0.79 C ATOM 429 CG ARG A 29 -10.028 7.473 -9.178 1.00 0.87 C ATOM 430 CD ARG A 29 -10.879 8.661 -9.649 1.00 1.57 C ATOM 431 NE ARG A 29 -12.319 8.332 -9.653 1.00 2.95 N ATOM 432 CZ ARG A 29 -13.063 8.029 -8.592 1.00 4.72 C ATOM 433 NH1 ARG A 29 -12.658 8.144 -7.346 1.00 5.61 N ATOM 434 NH2 ARG A 29 -14.274 7.553 -8.757 1.00 6.32 N ATOM 0 H ARG A 29 -10.096 7.136 -5.694 1.00 0.78 H new ATOM 0 HA ARG A 29 -8.315 5.880 -7.702 1.00 0.74 H new ATOM 0 HB2 ARG A 29 -9.420 8.733 -7.536 1.00 0.79 H new ATOM 0 HB3 ARG A 29 -8.106 8.260 -8.595 1.00 0.79 H new ATOM 0 HG2 ARG A 29 -9.502 7.040 -10.029 1.00 0.87 H new ATOM 0 HG3 ARG A 29 -10.677 6.695 -8.776 1.00 0.87 H new ATOM 0 HD2 ARG A 29 -10.703 9.516 -8.997 1.00 1.57 H new ATOM 0 HD3 ARG A 29 -10.570 8.956 -10.652 1.00 1.57 H new ATOM 0 HE ARG A 29 -12.789 8.338 -10.558 1.00 2.95 H new ATOM 0 HH11 ARG A 29 -11.718 8.485 -7.145 1.00 5.61 H new ATOM 0 HH12 ARG A 29 -13.284 7.893 -6.581 1.00 5.61 H new ATOM 0 HH21 ARG A 29 -14.644 7.416 -9.697 1.00 6.32 H new ATOM 0 HH22 ARG A 29 -14.846 7.320 -7.945 1.00 6.32 H new ATOM 448 N LEU A 30 -6.336 7.588 -6.779 1.00 0.72 N ATOM 449 CA LEU A 30 -5.238 8.243 -6.044 1.00 0.76 C ATOM 450 C LEU A 30 -5.254 9.774 -6.209 1.00 1.10 C ATOM 451 O LEU A 30 -5.028 10.504 -5.249 1.00 1.22 O ATOM 452 CB LEU A 30 -3.930 7.606 -6.544 1.00 0.79 C ATOM 453 CG LEU A 30 -2.615 8.177 -5.991 1.00 1.18 C ATOM 454 CD1 LEU A 30 -2.505 8.023 -4.469 1.00 2.07 C ATOM 455 CD2 LEU A 30 -1.467 7.421 -6.669 1.00 1.85 C ATOM 0 H LEU A 30 -6.128 7.448 -7.768 1.00 0.72 H new ATOM 0 HA LEU A 30 -5.348 8.086 -4.971 1.00 0.76 H new ATOM 0 HB2 LEU A 30 -3.961 6.542 -6.310 1.00 0.79 H new ATOM 0 HB3 LEU A 30 -3.906 7.693 -7.630 1.00 0.79 H new ATOM 0 HG LEU A 30 -2.576 9.246 -6.201 1.00 1.18 H new ATOM 0 HD11 LEU A 30 -1.558 8.442 -4.128 1.00 2.07 H new ATOM 0 HD12 LEU A 30 -3.329 8.551 -3.989 1.00 2.07 H new ATOM 0 HD13 LEU A 30 -2.550 6.966 -4.206 1.00 2.07 H new ATOM 0 HD21 LEU A 30 -0.514 7.800 -6.300 1.00 1.85 H new ATOM 0 HD22 LEU A 30 -1.547 6.358 -6.442 1.00 1.85 H new ATOM 0 HD23 LEU A 30 -1.523 7.567 -7.748 1.00 1.85 H new ATOM 467 N SER A 31 -5.582 10.262 -7.403 1.00 0.96 N ATOM 468 CA SER A 31 -5.757 11.690 -7.734 1.00 1.17 C ATOM 469 C SER A 31 -6.635 12.437 -6.726 1.00 1.48 C ATOM 470 O SER A 31 -6.301 13.538 -6.298 1.00 1.99 O ATOM 471 CB SER A 31 -6.357 11.833 -9.143 1.00 1.19 C ATOM 472 OG SER A 31 -7.389 10.884 -9.399 1.00 1.30 O ATOM 0 H SER A 31 -5.742 9.654 -8.206 1.00 0.96 H new ATOM 0 HA SER A 31 -4.766 12.143 -7.695 1.00 1.17 H new ATOM 0 HB2 SER A 31 -6.757 12.840 -9.263 1.00 1.19 H new ATOM 0 HB3 SER A 31 -5.567 11.713 -9.884 1.00 1.19 H new ATOM 0 HG SER A 31 -7.152 10.346 -10.183 1.00 1.30 H new ATOM 478 N GLN A 32 -7.716 11.795 -6.271 1.00 1.31 N ATOM 479 CA GLN A 32 -8.725 12.340 -5.353 1.00 1.51 C ATOM 480 C GLN A 32 -8.190 12.822 -3.992 1.00 1.76 C ATOM 481 O GLN A 32 -8.922 13.482 -3.258 1.00 1.96 O ATOM 482 CB GLN A 32 -9.828 11.283 -5.167 1.00 1.70 C ATOM 483 CG GLN A 32 -9.432 10.159 -4.196 1.00 1.67 C ATOM 484 CD GLN A 32 -10.512 9.092 -4.113 1.00 2.41 C ATOM 485 OE1 GLN A 32 -11.039 8.626 -5.116 1.00 3.04 O ATOM 486 NE2 GLN A 32 -10.924 8.689 -2.932 1.00 3.26 N ATOM 0 H GLN A 32 -7.922 10.835 -6.545 1.00 1.31 H new ATOM 0 HA GLN A 32 -9.112 13.248 -5.816 1.00 1.51 H new ATOM 0 HB2 GLN A 32 -10.731 11.770 -4.800 1.00 1.70 H new ATOM 0 HB3 GLN A 32 -10.072 10.848 -6.136 1.00 1.70 H new ATOM 0 HG2 GLN A 32 -8.496 9.707 -4.523 1.00 1.67 H new ATOM 0 HG3 GLN A 32 -9.255 10.578 -3.205 1.00 1.67 H new ATOM 0 HE21 GLN A 32 -10.496 9.067 -2.086 1.00 3.26 H new ATOM 0 HE22 GLN A 32 -11.671 7.999 -2.861 1.00 3.26 H new ATOM 495 N PHE A 33 -6.943 12.494 -3.643 1.00 1.31 N ATOM 496 CA PHE A 33 -6.267 12.926 -2.417 1.00 1.60 C ATOM 497 C PHE A 33 -4.746 13.086 -2.623 1.00 2.15 C ATOM 498 O PHE A 33 -3.959 12.824 -1.719 1.00 2.53 O ATOM 499 CB PHE A 33 -6.680 12.030 -1.226 1.00 2.30 C ATOM 500 CG PHE A 33 -6.766 10.525 -1.443 1.00 1.44 C ATOM 501 CD1 PHE A 33 -5.726 9.811 -2.072 1.00 2.58 C ATOM 502 CD2 PHE A 33 -7.892 9.823 -0.966 1.00 1.85 C ATOM 503 CE1 PHE A 33 -5.823 8.418 -2.233 1.00 3.05 C ATOM 504 CE2 PHE A 33 -7.995 8.431 -1.143 1.00 1.52 C ATOM 505 CZ PHE A 33 -6.961 7.729 -1.782 1.00 2.16 C ATOM 0 H PHE A 33 -6.356 11.899 -4.227 1.00 1.31 H new ATOM 0 HA PHE A 33 -6.602 13.930 -2.156 1.00 1.60 H new ATOM 0 HB2 PHE A 33 -5.972 12.208 -0.416 1.00 2.30 H new ATOM 0 HB3 PHE A 33 -7.655 12.371 -0.878 1.00 2.30 H new ATOM 0 HD1 PHE A 33 -4.853 10.335 -2.431 1.00 2.58 H new ATOM 0 HD2 PHE A 33 -8.682 10.358 -0.460 1.00 1.85 H new ATOM 0 HE1 PHE A 33 -5.018 7.875 -2.706 1.00 3.05 H new ATOM 0 HE2 PHE A 33 -8.868 7.904 -0.788 1.00 1.52 H new ATOM 0 HZ PHE A 33 -7.040 6.662 -1.927 1.00 2.16 H new ATOM 515 N GLN A 34 -4.328 13.512 -3.820 1.00 0.84 N ATOM 516 CA GLN A 34 -2.924 13.503 -4.252 1.00 0.90 C ATOM 517 C GLN A 34 -1.945 14.414 -3.476 1.00 1.30 C ATOM 518 O GLN A 34 -0.752 14.137 -3.508 1.00 2.08 O ATOM 519 CB GLN A 34 -2.864 13.750 -5.765 1.00 1.18 C ATOM 520 CG GLN A 34 -3.324 15.144 -6.219 1.00 1.44 C ATOM 521 CD GLN A 34 -3.348 15.236 -7.744 1.00 1.62 C ATOM 522 OE1 GLN A 34 -4.383 15.192 -8.387 1.00 1.75 O ATOM 523 NE2 GLN A 34 -2.210 15.297 -8.397 1.00 2.65 N ATOM 0 H GLN A 34 -4.965 13.879 -4.528 1.00 0.84 H new ATOM 0 HA GLN A 34 -2.552 12.510 -4.002 1.00 0.90 H new ATOM 0 HB2 GLN A 34 -1.839 13.596 -6.102 1.00 1.18 H new ATOM 0 HB3 GLN A 34 -3.480 13.001 -6.264 1.00 1.18 H new ATOM 0 HG2 GLN A 34 -4.318 15.352 -5.822 1.00 1.44 H new ATOM 0 HG3 GLN A 34 -2.654 15.903 -5.815 1.00 1.44 H new ATOM 0 HE21 GLN A 34 -1.329 15.335 -7.884 1.00 2.65 H new ATOM 0 HE22 GLN A 34 -2.207 15.307 -9.417 1.00 2.65 H new ATOM 532 N ASP A 35 -2.405 15.435 -2.737 1.00 1.06 N ATOM 533 CA ASP A 35 -1.618 16.170 -1.717 1.00 1.36 C ATOM 534 C ASP A 35 -0.934 15.226 -0.707 1.00 1.56 C ATOM 535 O ASP A 35 0.146 15.503 -0.180 1.00 2.11 O ATOM 536 CB ASP A 35 -2.595 17.117 -0.977 1.00 1.61 C ATOM 537 CG ASP A 35 -2.072 17.761 0.328 1.00 2.78 C ATOM 538 OD1 ASP A 35 -1.004 18.407 0.297 1.00 4.03 O ATOM 539 OD2 ASP A 35 -2.792 17.634 1.351 1.00 3.21 O ATOM 0 H ASP A 35 -3.358 15.787 -2.829 1.00 1.06 H new ATOM 0 HA ASP A 35 -0.819 16.722 -2.212 1.00 1.36 H new ATOM 0 HB2 ASP A 35 -2.881 17.916 -1.661 1.00 1.61 H new ATOM 0 HB3 ASP A 35 -3.501 16.558 -0.743 1.00 1.61 H new ATOM 544 N LYS A 36 -1.590 14.103 -0.416 1.00 1.00 N ATOM 545 CA LYS A 36 -1.309 13.302 0.763 1.00 1.02 C ATOM 546 C LYS A 36 -0.120 12.348 0.581 1.00 1.27 C ATOM 547 O LYS A 36 0.277 11.941 -0.511 1.00 1.56 O ATOM 548 CB LYS A 36 -2.616 12.619 1.237 1.00 1.15 C ATOM 549 CG LYS A 36 -3.786 13.563 1.438 1.00 1.37 C ATOM 550 CD LYS A 36 -3.470 14.595 2.512 1.00 1.66 C ATOM 551 CE LYS A 36 -4.727 15.424 2.590 1.00 1.82 C ATOM 552 NZ LYS A 36 -4.472 16.710 3.277 1.00 2.30 N ATOM 0 H LYS A 36 -2.336 13.725 -1.000 1.00 1.00 H new ATOM 0 HA LYS A 36 -0.971 13.959 1.565 1.00 1.02 H new ATOM 0 HB2 LYS A 36 -2.899 11.861 0.507 1.00 1.15 H new ATOM 0 HB3 LYS A 36 -2.420 12.100 2.175 1.00 1.15 H new ATOM 0 HG2 LYS A 36 -4.018 14.067 0.500 1.00 1.37 H new ATOM 0 HG3 LYS A 36 -4.672 12.996 1.722 1.00 1.37 H new ATOM 0 HD2 LYS A 36 -3.242 14.122 3.467 1.00 1.66 H new ATOM 0 HD3 LYS A 36 -2.606 15.202 2.242 1.00 1.66 H new ATOM 0 HE2 LYS A 36 -5.105 15.613 1.585 1.00 1.82 H new ATOM 0 HE3 LYS A 36 -5.500 14.870 3.123 1.00 1.82 H new ATOM 0 HZ1 LYS A 36 -5.329 17.298 3.243 1.00 2.30 H new ATOM 0 HZ2 LYS A 36 -4.215 16.529 4.268 1.00 2.30 H new ATOM 0 HZ3 LYS A 36 -3.692 17.208 2.803 1.00 2.30 H new ATOM 566 N VAL A 37 0.403 11.935 1.726 1.00 0.89 N ATOM 567 CA VAL A 37 1.592 11.116 1.944 1.00 0.97 C ATOM 568 C VAL A 37 1.042 9.689 1.992 1.00 1.32 C ATOM 569 O VAL A 37 0.870 9.086 3.049 1.00 1.91 O ATOM 570 CB VAL A 37 2.304 11.516 3.267 1.00 0.95 C ATOM 571 CG1 VAL A 37 3.609 10.725 3.474 1.00 1.31 C ATOM 572 CG2 VAL A 37 2.626 13.019 3.349 1.00 1.16 C ATOM 0 H VAL A 37 -0.035 12.188 2.612 1.00 0.89 H new ATOM 0 HA VAL A 37 2.349 11.237 1.169 1.00 0.97 H new ATOM 0 HB VAL A 37 1.592 11.272 4.056 1.00 0.95 H new ATOM 0 HG11 VAL A 37 4.077 11.033 4.409 1.00 1.31 H new ATOM 0 HG12 VAL A 37 3.386 9.659 3.514 1.00 1.31 H new ATOM 0 HG13 VAL A 37 4.289 10.922 2.646 1.00 1.31 H new ATOM 0 HG21 VAL A 37 3.122 13.234 4.296 1.00 1.16 H new ATOM 0 HG22 VAL A 37 3.283 13.296 2.524 1.00 1.16 H new ATOM 0 HG23 VAL A 37 1.702 13.593 3.285 1.00 1.16 H new ATOM 582 N VAL A 38 0.664 9.205 0.807 1.00 0.68 N ATOM 583 CA VAL A 38 -0.203 8.036 0.648 1.00 0.64 C ATOM 584 C VAL A 38 0.682 6.806 0.500 1.00 0.89 C ATOM 585 O VAL A 38 1.516 6.730 -0.408 1.00 0.79 O ATOM 586 CB VAL A 38 -1.138 8.146 -0.581 1.00 0.81 C ATOM 587 CG1 VAL A 38 -1.948 6.855 -0.793 1.00 0.97 C ATOM 588 CG2 VAL A 38 -2.140 9.299 -0.428 1.00 1.19 C ATOM 0 H VAL A 38 0.955 9.619 -0.079 1.00 0.68 H new ATOM 0 HA VAL A 38 -0.843 7.967 1.527 1.00 0.64 H new ATOM 0 HB VAL A 38 -0.487 8.326 -1.436 1.00 0.81 H new ATOM 0 HG11 VAL A 38 -2.593 6.969 -1.664 1.00 0.97 H new ATOM 0 HG12 VAL A 38 -1.266 6.020 -0.953 1.00 0.97 H new ATOM 0 HG13 VAL A 38 -2.559 6.660 0.088 1.00 0.97 H new ATOM 0 HG21 VAL A 38 -2.779 9.345 -1.310 1.00 1.19 H new ATOM 0 HG22 VAL A 38 -2.754 9.132 0.457 1.00 1.19 H new ATOM 0 HG23 VAL A 38 -1.599 10.239 -0.323 1.00 1.19 H new ATOM 598 N LEU A 39 0.470 5.844 1.403 1.00 0.60 N ATOM 599 CA LEU A 39 1.163 4.569 1.425 1.00 0.60 C ATOM 600 C LEU A 39 0.284 3.523 0.736 1.00 1.07 C ATOM 601 O LEU A 39 -0.842 3.262 1.159 1.00 1.16 O ATOM 602 CB LEU A 39 1.464 4.191 2.891 1.00 0.67 C ATOM 603 CG LEU A 39 2.866 3.595 3.077 1.00 1.27 C ATOM 604 CD1 LEU A 39 3.106 3.286 4.558 1.00 2.23 C ATOM 605 CD2 LEU A 39 3.101 2.314 2.262 1.00 2.42 C ATOM 0 H LEU A 39 -0.210 5.942 2.157 1.00 0.60 H new ATOM 0 HA LEU A 39 2.111 4.624 0.889 1.00 0.60 H new ATOM 0 HB2 LEU A 39 1.365 5.078 3.517 1.00 0.67 H new ATOM 0 HB3 LEU A 39 0.720 3.473 3.236 1.00 0.67 H new ATOM 0 HG LEU A 39 3.567 4.346 2.711 1.00 1.27 H new ATOM 0 HD11 LEU A 39 4.103 2.863 4.685 1.00 2.23 H new ATOM 0 HD12 LEU A 39 3.025 4.205 5.139 1.00 2.23 H new ATOM 0 HD13 LEU A 39 2.361 2.570 4.906 1.00 2.23 H new ATOM 0 HD21 LEU A 39 4.112 1.948 2.442 1.00 2.42 H new ATOM 0 HD22 LEU A 39 2.381 1.553 2.564 1.00 2.42 H new ATOM 0 HD23 LEU A 39 2.977 2.530 1.201 1.00 2.42 H new ATOM 617 N LEU A 40 0.826 2.912 -0.315 1.00 0.56 N ATOM 618 CA LEU A 40 0.235 1.765 -0.994 1.00 0.54 C ATOM 619 C LEU A 40 0.914 0.490 -0.516 1.00 1.04 C ATOM 620 O LEU A 40 2.143 0.409 -0.468 1.00 1.26 O ATOM 621 CB LEU A 40 0.390 1.915 -2.523 1.00 0.64 C ATOM 622 CG LEU A 40 -0.853 2.440 -3.263 1.00 0.87 C ATOM 623 CD1 LEU A 40 -1.979 1.402 -3.246 1.00 1.62 C ATOM 624 CD2 LEU A 40 -1.334 3.787 -2.714 1.00 2.33 C ATOM 0 H LEU A 40 1.710 3.209 -0.727 1.00 0.56 H new ATOM 0 HA LEU A 40 -0.828 1.714 -0.759 1.00 0.54 H new ATOM 0 HB2 LEU A 40 1.223 2.589 -2.722 1.00 0.64 H new ATOM 0 HB3 LEU A 40 0.658 0.945 -2.941 1.00 0.64 H new ATOM 0 HG LEU A 40 -0.559 2.610 -4.299 1.00 0.87 H new ATOM 0 HD11 LEU A 40 -2.846 1.797 -3.775 1.00 1.62 H new ATOM 0 HD12 LEU A 40 -1.640 0.489 -3.736 1.00 1.62 H new ATOM 0 HD13 LEU A 40 -2.254 1.180 -2.215 1.00 1.62 H new ATOM 0 HD21 LEU A 40 -2.213 4.114 -3.270 1.00 2.33 H new ATOM 0 HD22 LEU A 40 -1.590 3.680 -1.660 1.00 2.33 H new ATOM 0 HD23 LEU A 40 -0.541 4.527 -2.821 1.00 2.33 H new ATOM 636 N PHE A 41 0.093 -0.520 -0.236 1.00 0.63 N ATOM 637 CA PHE A 41 0.514 -1.902 -0.035 1.00 0.60 C ATOM 638 C PHE A 41 -0.360 -2.812 -0.906 1.00 1.41 C ATOM 639 O PHE A 41 -1.592 -2.781 -0.808 1.00 1.74 O ATOM 640 CB PHE A 41 0.418 -2.262 1.459 1.00 0.60 C ATOM 641 CG PHE A 41 0.767 -3.697 1.834 1.00 0.80 C ATOM 642 CD1 PHE A 41 1.811 -4.396 1.193 1.00 1.70 C ATOM 643 CD2 PHE A 41 0.059 -4.336 2.870 1.00 2.35 C ATOM 644 CE1 PHE A 41 2.122 -5.715 1.567 1.00 1.58 C ATOM 645 CE2 PHE A 41 0.362 -5.657 3.242 1.00 2.52 C ATOM 646 CZ PHE A 41 1.395 -6.350 2.589 1.00 1.19 C ATOM 0 H PHE A 41 -0.915 -0.394 -0.140 1.00 0.63 H new ATOM 0 HA PHE A 41 1.554 -2.038 -0.333 1.00 0.60 H new ATOM 0 HB2 PHE A 41 1.076 -1.594 2.014 1.00 0.60 H new ATOM 0 HB3 PHE A 41 -0.599 -2.059 1.795 1.00 0.60 H new ATOM 0 HD1 PHE A 41 2.376 -3.914 0.409 1.00 1.70 H new ATOM 0 HD2 PHE A 41 -0.727 -3.804 3.385 1.00 2.35 H new ATOM 0 HE1 PHE A 41 2.922 -6.242 1.068 1.00 1.58 H new ATOM 0 HE2 PHE A 41 -0.199 -6.139 4.029 1.00 2.52 H new ATOM 0 HZ PHE A 41 1.629 -7.366 2.871 1.00 1.19 H new ATOM 656 N PHE A 42 0.291 -3.606 -1.758 1.00 0.64 N ATOM 657 CA PHE A 42 -0.349 -4.616 -2.601 1.00 0.67 C ATOM 658 C PHE A 42 -0.184 -5.992 -1.950 1.00 1.74 C ATOM 659 O PHE A 42 0.919 -6.536 -1.903 1.00 2.11 O ATOM 660 CB PHE A 42 0.268 -4.594 -4.008 1.00 0.72 C ATOM 661 CG PHE A 42 -0.277 -3.511 -4.922 1.00 0.80 C ATOM 662 CD1 PHE A 42 0.126 -2.171 -4.763 1.00 2.10 C ATOM 663 CD2 PHE A 42 -1.172 -3.854 -5.954 1.00 2.00 C ATOM 664 CE1 PHE A 42 -0.345 -1.186 -5.650 1.00 1.87 C ATOM 665 CE2 PHE A 42 -1.643 -2.867 -6.838 1.00 2.15 C ATOM 666 CZ PHE A 42 -1.227 -1.533 -6.686 1.00 0.99 C ATOM 0 H PHE A 42 1.302 -3.563 -1.884 1.00 0.64 H new ATOM 0 HA PHE A 42 -1.413 -4.398 -2.697 1.00 0.67 H new ATOM 0 HB2 PHE A 42 1.346 -4.464 -3.915 1.00 0.72 H new ATOM 0 HB3 PHE A 42 0.103 -5.564 -4.478 1.00 0.72 H new ATOM 0 HD1 PHE A 42 0.796 -1.900 -3.961 1.00 2.10 H new ATOM 0 HD2 PHE A 42 -1.497 -4.878 -6.067 1.00 2.00 H new ATOM 0 HE1 PHE A 42 -0.027 -0.160 -5.534 1.00 1.87 H new ATOM 0 HE2 PHE A 42 -2.324 -3.134 -7.633 1.00 2.15 H new ATOM 0 HZ PHE A 42 -1.586 -0.775 -7.366 1.00 0.99 H new ATOM 676 N GLY A 43 -1.286 -6.531 -1.421 1.00 0.71 N ATOM 677 CA GLY A 43 -1.360 -7.872 -0.835 1.00 0.74 C ATOM 678 C GLY A 43 -2.701 -8.565 -1.056 1.00 0.90 C ATOM 679 O GLY A 43 -3.684 -7.942 -1.458 1.00 1.17 O ATOM 0 H GLY A 43 -2.175 -6.033 -1.388 1.00 0.71 H new ATOM 0 HA2 GLY A 43 -0.568 -8.489 -1.260 1.00 0.74 H new ATOM 0 HA3 GLY A 43 -1.169 -7.802 0.236 1.00 0.74 H new ATOM 683 N PHE A 44 -2.764 -9.856 -0.732 1.00 0.87 N ATOM 684 CA PHE A 44 -4.015 -10.556 -0.431 1.00 0.93 C ATOM 685 C PHE A 44 -4.057 -10.714 1.091 1.00 1.87 C ATOM 686 O PHE A 44 -3.063 -11.130 1.685 1.00 2.54 O ATOM 687 CB PHE A 44 -4.098 -11.891 -1.198 1.00 1.10 C ATOM 688 CG PHE A 44 -3.072 -12.946 -0.824 1.00 1.50 C ATOM 689 CD1 PHE A 44 -1.811 -12.970 -1.447 1.00 2.86 C ATOM 690 CD2 PHE A 44 -3.390 -13.916 0.142 1.00 2.78 C ATOM 691 CE1 PHE A 44 -0.868 -13.951 -1.091 1.00 4.13 C ATOM 692 CE2 PHE A 44 -2.446 -14.893 0.505 1.00 3.85 C ATOM 693 CZ PHE A 44 -1.185 -14.912 -0.113 1.00 4.35 C ATOM 0 H PHE A 44 -1.939 -10.453 -0.670 1.00 0.87 H new ATOM 0 HA PHE A 44 -4.892 -9.999 -0.761 1.00 0.93 H new ATOM 0 HB2 PHE A 44 -5.092 -12.312 -1.046 1.00 1.10 H new ATOM 0 HB3 PHE A 44 -4.000 -11.681 -2.263 1.00 1.10 H new ATOM 0 HD1 PHE A 44 -1.567 -12.235 -2.199 1.00 2.86 H new ATOM 0 HD2 PHE A 44 -4.364 -13.911 0.608 1.00 2.78 H new ATOM 0 HE1 PHE A 44 0.100 -13.967 -1.569 1.00 4.13 H new ATOM 0 HE2 PHE A 44 -2.690 -15.628 1.258 1.00 3.85 H new ATOM 0 HZ PHE A 44 -0.459 -15.663 0.162 1.00 4.35 H new ATOM 703 N THR A 45 -5.160 -10.343 1.746 1.00 1.23 N ATOM 704 CA THR A 45 -5.240 -10.098 3.202 1.00 1.71 C ATOM 705 C THR A 45 -5.000 -11.341 4.070 1.00 1.98 C ATOM 706 O THR A 45 -4.969 -11.248 5.291 1.00 2.77 O ATOM 707 CB THR A 45 -6.559 -9.398 3.583 1.00 2.26 C ATOM 708 OG1 THR A 45 -7.197 -8.811 2.476 1.00 3.25 O ATOM 709 CG2 THR A 45 -6.299 -8.256 4.554 1.00 2.79 C ATOM 0 H THR A 45 -6.051 -10.199 1.271 1.00 1.23 H new ATOM 0 HA THR A 45 -4.410 -9.427 3.423 1.00 1.71 H new ATOM 0 HB THR A 45 -7.185 -10.178 4.016 1.00 2.26 H new ATOM 0 HG1 THR A 45 -8.008 -9.317 2.259 1.00 3.25 H new ATOM 0 HG21 THR A 45 -7.243 -7.775 4.811 1.00 2.79 H new ATOM 0 HG22 THR A 45 -5.833 -8.647 5.459 1.00 2.79 H new ATOM 0 HG23 THR A 45 -5.635 -7.527 4.089 1.00 2.79 H new ATOM 717 N ARG A 46 -4.779 -12.498 3.436 1.00 1.74 N ATOM 718 CA ARG A 46 -4.402 -13.769 4.054 1.00 1.90 C ATOM 719 C ARG A 46 -2.894 -14.098 3.940 1.00 1.87 C ATOM 720 O ARG A 46 -2.538 -15.243 4.220 1.00 2.37 O ATOM 721 CB ARG A 46 -5.268 -14.902 3.463 1.00 2.16 C ATOM 722 CG ARG A 46 -6.777 -14.716 3.687 1.00 3.33 C ATOM 723 CD ARG A 46 -7.557 -15.718 2.820 1.00 3.96 C ATOM 724 NE ARG A 46 -9.024 -15.545 2.882 1.00 5.62 N ATOM 725 CZ ARG A 46 -9.709 -14.538 2.348 1.00 7.41 C ATOM 726 NH1 ARG A 46 -9.129 -13.473 1.862 1.00 8.10 N ATOM 727 NH2 ARG A 46 -11.018 -14.583 2.263 1.00 8.97 N ATOM 0 H ARG A 46 -4.864 -12.574 2.422 1.00 1.74 H new ATOM 0 HA ARG A 46 -4.591 -13.675 5.123 1.00 1.90 H new ATOM 0 HB2 ARG A 46 -5.076 -14.972 2.392 1.00 2.16 H new ATOM 0 HB3 ARG A 46 -4.959 -15.850 3.905 1.00 2.16 H new ATOM 0 HG2 ARG A 46 -7.019 -14.865 4.739 1.00 3.33 H new ATOM 0 HG3 ARG A 46 -7.069 -13.697 3.434 1.00 3.33 H new ATOM 0 HD2 ARG A 46 -7.232 -15.618 1.784 1.00 3.96 H new ATOM 0 HD3 ARG A 46 -7.306 -16.730 3.136 1.00 3.96 H new ATOM 0 HE ARG A 46 -9.557 -16.260 3.377 1.00 5.62 H new ATOM 0 HH11 ARG A 46 -8.113 -13.391 1.883 1.00 8.10 H new ATOM 0 HH12 ARG A 46 -9.693 -12.723 1.461 1.00 8.10 H new ATOM 0 HH21 ARG A 46 -11.524 -15.398 2.609 1.00 8.97 H new ATOM 0 HH22 ARG A 46 -11.529 -13.803 1.851 1.00 8.97 H new ATOM 741 N CYS A 47 -1.982 -13.190 3.536 1.00 1.56 N ATOM 742 CA CYS A 47 -0.529 -13.464 3.615 1.00 1.60 C ATOM 743 C CYS A 47 -0.170 -13.859 5.073 1.00 1.84 C ATOM 744 O CYS A 47 -0.269 -12.993 5.943 1.00 2.91 O ATOM 745 CB CYS A 47 0.319 -12.264 3.150 1.00 2.35 C ATOM 746 SG CYS A 47 -0.015 -11.777 1.433 1.00 3.58 S ATOM 0 H CYS A 47 -2.219 -12.273 3.157 1.00 1.56 H new ATOM 0 HA CYS A 47 -0.297 -14.286 2.938 1.00 1.60 H new ATOM 0 HB2 CYS A 47 0.126 -11.415 3.806 1.00 2.35 H new ATOM 0 HB3 CYS A 47 1.375 -12.512 3.252 1.00 2.35 H new ATOM 0 HG CYS A 47 -0.369 -12.823 0.746 1.00 3.58 H new ATOM 752 N PRO A 48 0.219 -15.124 5.349 1.00 1.63 N ATOM 753 CA PRO A 48 -0.055 -15.802 6.624 1.00 2.35 C ATOM 754 C PRO A 48 0.795 -15.352 7.822 1.00 2.20 C ATOM 755 O PRO A 48 0.682 -15.925 8.899 1.00 2.50 O ATOM 756 CB PRO A 48 0.126 -17.297 6.334 1.00 3.34 C ATOM 757 CG PRO A 48 1.127 -17.314 5.183 1.00 3.25 C ATOM 758 CD PRO A 48 0.696 -16.097 4.374 1.00 2.24 C ATOM 0 HA PRO A 48 -1.063 -15.543 6.949 1.00 2.35 H new ATOM 0 HB2 PRO A 48 0.505 -17.832 7.204 1.00 3.34 H new ATOM 0 HB3 PRO A 48 -0.816 -17.769 6.055 1.00 3.34 H new ATOM 0 HG2 PRO A 48 2.155 -17.228 5.535 1.00 3.25 H new ATOM 0 HG3 PRO A 48 1.065 -18.234 4.601 1.00 3.25 H new ATOM 0 HD2 PRO A 48 1.529 -15.696 3.796 1.00 2.24 H new ATOM 0 HD3 PRO A 48 -0.089 -16.357 3.664 1.00 2.24 H new ATOM 766 N ASP A 49 1.619 -14.320 7.644 1.00 1.59 N ATOM 767 CA ASP A 49 2.368 -13.641 8.696 1.00 1.40 C ATOM 768 C ASP A 49 2.400 -12.163 8.296 1.00 1.39 C ATOM 769 O ASP A 49 1.760 -11.332 8.925 1.00 1.60 O ATOM 770 CB ASP A 49 3.762 -14.281 8.804 1.00 1.35 C ATOM 771 CG ASP A 49 4.736 -13.375 9.554 1.00 2.38 C ATOM 772 OD1 ASP A 49 5.300 -12.498 8.861 1.00 3.26 O ATOM 773 OD2 ASP A 49 4.868 -13.535 10.783 1.00 3.39 O ATOM 0 H ASP A 49 1.789 -13.918 6.722 1.00 1.59 H new ATOM 0 HA ASP A 49 1.919 -13.732 9.685 1.00 1.40 H new ATOM 0 HB2 ASP A 49 3.685 -15.239 9.318 1.00 1.35 H new ATOM 0 HB3 ASP A 49 4.148 -14.485 7.805 1.00 1.35 H new ATOM 778 N VAL A 50 3.039 -11.897 7.157 1.00 1.28 N ATOM 779 CA VAL A 50 3.174 -10.610 6.460 1.00 1.31 C ATOM 780 C VAL A 50 1.943 -9.684 6.509 1.00 1.58 C ATOM 781 O VAL A 50 2.112 -8.485 6.693 1.00 1.90 O ATOM 782 CB VAL A 50 3.607 -10.835 4.996 1.00 1.45 C ATOM 783 CG1 VAL A 50 4.117 -9.533 4.369 1.00 2.19 C ATOM 784 CG2 VAL A 50 4.717 -11.896 4.855 1.00 2.41 C ATOM 0 H VAL A 50 3.520 -12.640 6.650 1.00 1.28 H new ATOM 0 HA VAL A 50 3.944 -10.079 7.019 1.00 1.31 H new ATOM 0 HB VAL A 50 2.716 -11.190 4.479 1.00 1.45 H new ATOM 0 HG11 VAL A 50 4.416 -9.719 3.337 1.00 2.19 H new ATOM 0 HG12 VAL A 50 3.324 -8.785 4.388 1.00 2.19 H new ATOM 0 HG13 VAL A 50 4.974 -9.168 4.935 1.00 2.19 H new ATOM 0 HG21 VAL A 50 4.979 -12.010 3.803 1.00 2.41 H new ATOM 0 HG22 VAL A 50 5.596 -11.579 5.416 1.00 2.41 H new ATOM 0 HG23 VAL A 50 4.361 -12.849 5.246 1.00 2.41 H new ATOM 794 N CYS A 51 0.698 -10.165 6.369 1.00 1.47 N ATOM 795 CA CYS A 51 -0.460 -9.267 6.502 1.00 1.59 C ATOM 796 C CYS A 51 -0.625 -8.737 7.944 1.00 1.78 C ATOM 797 O CYS A 51 -0.587 -7.514 8.108 1.00 1.94 O ATOM 798 CB CYS A 51 -1.727 -9.894 5.892 1.00 1.76 C ATOM 799 SG CYS A 51 -1.745 -9.503 4.120 1.00 1.70 S ATOM 0 H CYS A 51 0.470 -11.139 6.170 1.00 1.47 H new ATOM 0 HA CYS A 51 -0.271 -8.372 5.909 1.00 1.59 H new ATOM 0 HB2 CYS A 51 -1.730 -10.973 6.045 1.00 1.76 H new ATOM 0 HB3 CYS A 51 -2.620 -9.501 6.379 1.00 1.76 H new ATOM 0 HG CYS A 51 -2.494 -10.361 3.494 1.00 1.70 H new ATOM 805 N PRO A 52 -0.813 -9.585 8.975 1.00 1.49 N ATOM 806 CA PRO A 52 -0.915 -9.107 10.350 1.00 1.51 C ATOM 807 C PRO A 52 0.386 -8.517 10.926 1.00 1.59 C ATOM 808 O PRO A 52 0.267 -7.631 11.770 1.00 1.69 O ATOM 809 CB PRO A 52 -1.440 -10.289 11.174 1.00 1.72 C ATOM 810 CG PRO A 52 -1.115 -11.524 10.335 1.00 1.69 C ATOM 811 CD PRO A 52 -1.169 -11.000 8.900 1.00 1.54 C ATOM 0 HA PRO A 52 -1.596 -8.256 10.387 1.00 1.51 H new ATOM 0 HB2 PRO A 52 -0.958 -10.336 12.150 1.00 1.72 H new ATOM 0 HB3 PRO A 52 -2.512 -10.202 11.352 1.00 1.72 H new ATOM 0 HG2 PRO A 52 -0.133 -11.928 10.579 1.00 1.69 H new ATOM 0 HG3 PRO A 52 -1.838 -12.323 10.499 1.00 1.69 H new ATOM 0 HD2 PRO A 52 -0.475 -11.544 8.260 1.00 1.54 H new ATOM 0 HD3 PRO A 52 -2.164 -11.130 8.474 1.00 1.54 H new ATOM 819 N THR A 53 1.594 -8.941 10.502 1.00 1.23 N ATOM 820 CA THR A 53 2.862 -8.318 10.936 1.00 1.15 C ATOM 821 C THR A 53 3.063 -6.942 10.316 1.00 1.32 C ATOM 822 O THR A 53 3.070 -5.962 11.070 1.00 1.34 O ATOM 823 CB THR A 53 4.092 -9.208 10.701 1.00 1.13 C ATOM 824 OG1 THR A 53 4.091 -9.697 9.386 1.00 1.99 O ATOM 825 CG2 THR A 53 4.092 -10.399 11.656 1.00 2.59 C ATOM 0 H THR A 53 1.718 -9.719 9.854 1.00 1.23 H new ATOM 0 HA THR A 53 2.768 -8.195 12.015 1.00 1.15 H new ATOM 0 HB THR A 53 4.979 -8.600 10.877 1.00 1.13 H new ATOM 0 HG1 THR A 53 4.502 -10.586 9.367 1.00 1.99 H new ATOM 0 HG21 THR A 53 4.972 -11.014 11.470 1.00 2.59 H new ATOM 0 HG22 THR A 53 4.111 -10.040 12.685 1.00 2.59 H new ATOM 0 HG23 THR A 53 3.193 -10.994 11.495 1.00 2.59 H new ATOM 833 N THR A 54 3.122 -6.834 8.981 1.00 1.08 N ATOM 834 CA THR A 54 3.345 -5.552 8.287 1.00 1.04 C ATOM 835 C THR A 54 2.323 -4.510 8.700 1.00 1.21 C ATOM 836 O THR A 54 2.716 -3.393 9.026 1.00 1.20 O ATOM 837 CB THR A 54 3.399 -5.710 6.761 1.00 1.07 C ATOM 838 OG1 THR A 54 4.437 -6.591 6.422 1.00 1.40 O ATOM 839 CG2 THR A 54 3.693 -4.391 6.050 1.00 1.10 C ATOM 0 H THR A 54 3.017 -7.629 8.351 1.00 1.08 H new ATOM 0 HA THR A 54 4.327 -5.197 8.599 1.00 1.04 H new ATOM 0 HB THR A 54 2.422 -6.079 6.449 1.00 1.07 H new ATOM 0 HG1 THR A 54 5.292 -6.224 6.731 1.00 1.40 H new ATOM 0 HG21 THR A 54 3.721 -4.557 4.973 1.00 1.10 H new ATOM 0 HG22 THR A 54 2.912 -3.668 6.286 1.00 1.10 H new ATOM 0 HG23 THR A 54 4.657 -4.005 6.383 1.00 1.10 H new ATOM 847 N LEU A 55 1.024 -4.818 8.762 1.00 0.99 N ATOM 848 CA LEU A 55 0.045 -3.822 9.215 1.00 0.97 C ATOM 849 C LEU A 55 0.220 -3.428 10.693 1.00 1.38 C ATOM 850 O LEU A 55 -0.171 -2.316 11.054 1.00 1.62 O ATOM 851 CB LEU A 55 -1.395 -4.298 8.938 1.00 1.00 C ATOM 852 CG LEU A 55 -1.916 -3.886 7.550 1.00 1.26 C ATOM 853 CD1 LEU A 55 -1.201 -4.592 6.393 1.00 1.87 C ATOM 854 CD2 LEU A 55 -3.430 -4.138 7.468 1.00 2.28 C ATOM 0 H LEU A 55 0.631 -5.725 8.511 1.00 0.99 H new ATOM 0 HA LEU A 55 0.234 -2.920 8.633 1.00 0.97 H new ATOM 0 HB2 LEU A 55 -1.435 -5.384 9.026 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -2.058 -3.892 9.702 1.00 1.00 H new ATOM 0 HG LEU A 55 -1.702 -2.823 7.438 1.00 1.26 H new ATOM 0 HD11 LEU A 55 -1.620 -4.253 5.445 1.00 1.87 H new ATOM 0 HD12 LEU A 55 -0.137 -4.356 6.425 1.00 1.87 H new ATOM 0 HD13 LEU A 55 -1.337 -5.670 6.485 1.00 1.87 H new ATOM 0 HD21 LEU A 55 -3.795 -3.845 6.484 1.00 2.28 H new ATOM 0 HD22 LEU A 55 -3.632 -5.197 7.629 1.00 2.28 H new ATOM 0 HD23 LEU A 55 -3.938 -3.551 8.233 1.00 2.28 H new ATOM 866 N LEU A 56 0.806 -4.275 11.551 1.00 0.95 N ATOM 867 CA LEU A 56 1.199 -3.877 12.903 1.00 0.93 C ATOM 868 C LEU A 56 2.416 -2.948 12.886 1.00 1.15 C ATOM 869 O LEU A 56 2.410 -1.935 13.586 1.00 1.25 O ATOM 870 CB LEU A 56 1.478 -5.115 13.781 1.00 1.00 C ATOM 871 CG LEU A 56 1.405 -4.789 15.279 1.00 1.25 C ATOM 872 CD1 LEU A 56 -0.036 -4.581 15.775 1.00 2.19 C ATOM 873 CD2 LEU A 56 2.073 -5.901 16.098 1.00 2.05 C ATOM 0 H LEU A 56 1.018 -5.247 11.326 1.00 0.95 H new ATOM 0 HA LEU A 56 0.364 -3.325 13.335 1.00 0.93 H new ATOM 0 HB2 LEU A 56 0.756 -5.896 13.545 1.00 1.00 H new ATOM 0 HB3 LEU A 56 2.465 -5.512 13.544 1.00 1.00 H new ATOM 0 HG LEU A 56 1.937 -3.848 15.419 1.00 1.25 H new ATOM 0 HD11 LEU A 56 -0.025 -4.354 16.841 1.00 2.19 H new ATOM 0 HD12 LEU A 56 -0.492 -3.753 15.232 1.00 2.19 H new ATOM 0 HD13 LEU A 56 -0.614 -5.489 15.604 1.00 2.19 H new ATOM 0 HD21 LEU A 56 2.014 -5.657 17.159 1.00 2.05 H new ATOM 0 HD22 LEU A 56 1.561 -6.846 15.914 1.00 2.05 H new ATOM 0 HD23 LEU A 56 3.119 -5.991 15.804 1.00 2.05 H new ATOM 885 N ALA A 57 3.457 -3.265 12.114 1.00 0.95 N ATOM 886 CA ALA A 57 4.641 -2.419 11.993 1.00 1.00 C ATOM 887 C ALA A 57 4.317 -1.050 11.377 1.00 1.07 C ATOM 888 O ALA A 57 4.737 -0.021 11.920 1.00 1.23 O ATOM 889 CB ALA A 57 5.690 -3.160 11.175 1.00 1.05 C ATOM 0 H ALA A 57 3.501 -4.117 11.555 1.00 0.95 H new ATOM 0 HA ALA A 57 5.029 -2.215 12.991 1.00 1.00 H new ATOM 0 HB1 ALA A 57 6.580 -2.539 11.077 1.00 1.05 H new ATOM 0 HB2 ALA A 57 5.951 -4.092 11.677 1.00 1.05 H new ATOM 0 HB3 ALA A 57 5.290 -3.380 10.185 1.00 1.05 H new ATOM 895 N LEU A 58 3.504 -1.044 10.314 1.00 0.97 N ATOM 896 CA LEU A 58 2.910 0.150 9.719 1.00 1.00 C ATOM 897 C LEU A 58 2.119 0.927 10.764 1.00 1.44 C ATOM 898 O LEU A 58 2.437 2.088 10.991 1.00 1.60 O ATOM 899 CB LEU A 58 2.009 -0.217 8.520 1.00 1.02 C ATOM 900 CG LEU A 58 2.727 -0.718 7.247 1.00 1.08 C ATOM 901 CD1 LEU A 58 1.677 -0.990 6.158 1.00 1.22 C ATOM 902 CD2 LEU A 58 3.759 0.286 6.733 1.00 1.50 C ATOM 0 H LEU A 58 3.235 -1.901 9.831 1.00 0.97 H new ATOM 0 HA LEU A 58 3.718 0.783 9.351 1.00 1.00 H new ATOM 0 HB2 LEU A 58 1.309 -0.988 8.843 1.00 1.02 H new ATOM 0 HB3 LEU A 58 1.418 0.660 8.256 1.00 1.02 H new ATOM 0 HG LEU A 58 3.265 -1.632 7.498 1.00 1.08 H new ATOM 0 HD11 LEU A 58 2.173 -1.344 5.254 1.00 1.22 H new ATOM 0 HD12 LEU A 58 0.977 -1.748 6.509 1.00 1.22 H new ATOM 0 HD13 LEU A 58 1.135 -0.070 5.937 1.00 1.22 H new ATOM 0 HD21 LEU A 58 4.237 -0.110 5.837 1.00 1.50 H new ATOM 0 HD22 LEU A 58 3.263 1.227 6.494 1.00 1.50 H new ATOM 0 HD23 LEU A 58 4.513 0.458 7.501 1.00 1.50 H new ATOM 914 N LYS A 59 1.117 0.349 11.440 1.00 0.96 N ATOM 915 CA LYS A 59 0.282 1.155 12.350 1.00 0.90 C ATOM 916 C LYS A 59 1.018 1.609 13.626 1.00 1.10 C ATOM 917 O LYS A 59 0.690 2.655 14.186 1.00 1.18 O ATOM 918 CB LYS A 59 -1.077 0.473 12.583 1.00 0.91 C ATOM 919 CG LYS A 59 -1.187 -0.541 13.733 1.00 1.08 C ATOM 920 CD LYS A 59 -1.961 0.028 14.931 1.00 1.47 C ATOM 921 CE LYS A 59 -2.431 -1.111 15.850 1.00 1.29 C ATOM 922 NZ LYS A 59 -3.785 -0.842 16.400 1.00 2.16 N ATOM 0 H LYS A 59 0.868 -0.638 11.381 1.00 0.96 H new ATOM 0 HA LYS A 59 0.064 2.102 11.857 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -1.818 1.254 12.754 1.00 0.91 H new ATOM 0 HB3 LYS A 59 -1.358 -0.036 11.661 1.00 0.91 H new ATOM 0 HG2 LYS A 59 -1.685 -1.442 13.375 1.00 1.08 H new ATOM 0 HG3 LYS A 59 -0.188 -0.835 14.054 1.00 1.08 H new ATOM 0 HD2 LYS A 59 -1.327 0.717 15.489 1.00 1.47 H new ATOM 0 HD3 LYS A 59 -2.820 0.599 14.580 1.00 1.47 H new ATOM 0 HE2 LYS A 59 -2.443 -2.048 15.293 1.00 1.29 H new ATOM 0 HE3 LYS A 59 -1.722 -1.235 16.669 1.00 1.29 H new ATOM 0 HZ1 LYS A 59 -4.065 -1.621 17.029 1.00 2.16 H new ATOM 0 HZ2 LYS A 59 -3.771 0.049 16.937 1.00 2.16 H new ATOM 0 HZ3 LYS A 59 -4.468 -0.765 15.619 1.00 2.16 H new ATOM 936 N ARG A 60 2.060 0.890 14.066 1.00 1.01 N ATOM 937 CA ARG A 60 2.974 1.360 15.120 1.00 1.05 C ATOM 938 C ARG A 60 3.808 2.575 14.683 1.00 1.29 C ATOM 939 O ARG A 60 4.206 3.354 15.543 1.00 1.29 O ATOM 940 CB ARG A 60 3.921 0.234 15.568 1.00 1.12 C ATOM 941 CG ARG A 60 3.251 -0.801 16.486 1.00 1.31 C ATOM 942 CD ARG A 60 4.202 -1.964 16.802 1.00 2.08 C ATOM 943 NE ARG A 60 5.274 -1.577 17.748 1.00 2.73 N ATOM 944 CZ ARG A 60 6.588 -1.570 17.525 1.00 3.82 C ATOM 945 NH1 ARG A 60 7.114 -1.803 16.336 1.00 4.63 N ATOM 946 NH2 ARG A 60 7.413 -1.321 18.522 1.00 5.00 N ATOM 0 H ARG A 60 2.294 -0.034 13.702 1.00 1.01 H new ATOM 0 HA ARG A 60 2.342 1.667 15.954 1.00 1.05 H new ATOM 0 HB2 ARG A 60 4.312 -0.273 14.686 1.00 1.12 H new ATOM 0 HB3 ARG A 60 4.773 0.672 16.088 1.00 1.12 H new ATOM 0 HG2 ARG A 60 2.940 -0.320 17.414 1.00 1.31 H new ATOM 0 HG3 ARG A 60 2.350 -1.185 16.008 1.00 1.31 H new ATOM 0 HD2 ARG A 60 3.631 -2.792 17.223 1.00 2.08 H new ATOM 0 HD3 ARG A 60 4.651 -2.324 15.876 1.00 2.08 H new ATOM 0 HE ARG A 60 4.972 -1.282 18.677 1.00 2.73 H new ATOM 0 HH11 ARG A 60 6.508 -1.999 15.540 1.00 4.63 H new ATOM 0 HH12 ARG A 60 8.127 -1.787 16.214 1.00 4.63 H new ATOM 0 HH21 ARG A 60 7.044 -1.136 19.455 1.00 5.00 H new ATOM 0 HH22 ARG A 60 8.420 -1.314 18.361 1.00 5.00 H new ATOM 960 N ALA A 61 4.131 2.703 13.391 1.00 1.06 N ATOM 961 CA ALA A 61 4.751 3.897 12.820 1.00 1.06 C ATOM 962 C ALA A 61 3.748 5.048 12.652 1.00 1.04 C ATOM 963 O ALA A 61 3.959 6.146 13.163 1.00 1.11 O ATOM 964 CB ALA A 61 5.430 3.524 11.489 1.00 1.23 C ATOM 0 H ALA A 61 3.965 1.967 12.705 1.00 1.06 H new ATOM 0 HA ALA A 61 5.507 4.265 13.513 1.00 1.06 H new ATOM 0 HB1 ALA A 61 5.895 4.410 11.057 1.00 1.23 H new ATOM 0 HB2 ALA A 61 6.192 2.766 11.669 1.00 1.23 H new ATOM 0 HB3 ALA A 61 4.684 3.132 10.798 1.00 1.23 H new ATOM 970 N TYR A 62 2.675 4.787 11.907 1.00 0.88 N ATOM 971 CA TYR A 62 1.794 5.818 11.356 1.00 1.15 C ATOM 972 C TYR A 62 1.152 6.691 12.432 1.00 1.38 C ATOM 973 O TYR A 62 1.290 7.913 12.414 1.00 1.74 O ATOM 974 CB TYR A 62 0.708 5.140 10.506 1.00 1.35 C ATOM 975 CG TYR A 62 0.579 5.685 9.121 1.00 2.89 C ATOM 976 CD1 TYR A 62 1.648 5.566 8.219 1.00 5.03 C ATOM 977 CD2 TYR A 62 -0.634 6.276 8.739 1.00 2.93 C ATOM 978 CE1 TYR A 62 1.511 6.053 6.910 1.00 6.62 C ATOM 979 CE2 TYR A 62 -0.802 6.697 7.412 1.00 4.42 C ATOM 980 CZ TYR A 62 0.280 6.602 6.500 1.00 6.14 C ATOM 981 OH TYR A 62 0.161 7.107 5.249 1.00 7.70 O ATOM 0 H TYR A 62 2.388 3.839 11.665 1.00 0.88 H new ATOM 0 HA TYR A 62 2.403 6.483 10.744 1.00 1.15 H new ATOM 0 HB2 TYR A 62 0.925 4.073 10.445 1.00 1.35 H new ATOM 0 HB3 TYR A 62 -0.251 5.242 11.014 1.00 1.35 H new ATOM 0 HD1 TYR A 62 2.572 5.102 8.531 1.00 5.03 H new ATOM 0 HD2 TYR A 62 -1.429 6.405 9.458 1.00 2.93 H new ATOM 0 HE1 TYR A 62 2.343 6.007 6.222 1.00 6.62 H new ATOM 0 HE2 TYR A 62 -1.752 7.092 7.085 1.00 4.42 H new ATOM 0 HH TYR A 62 1.013 7.011 4.775 1.00 7.70 H new ATOM 991 N GLU A 63 0.494 6.053 13.399 1.00 1.33 N ATOM 992 CA GLU A 63 -0.277 6.776 14.404 1.00 2.07 C ATOM 993 C GLU A 63 0.628 7.529 15.404 1.00 2.05 C ATOM 994 O GLU A 63 0.162 8.369 16.165 1.00 2.66 O ATOM 995 CB GLU A 63 -1.264 5.848 15.128 1.00 2.77 C ATOM 996 CG GLU A 63 -2.050 4.899 14.213 1.00 2.87 C ATOM 997 CD GLU A 63 -2.732 5.558 13.007 1.00 5.37 C ATOM 998 OE1 GLU A 63 -3.312 6.663 13.130 1.00 6.73 O ATOM 999 OE2 GLU A 63 -2.807 4.866 11.970 1.00 6.29 O ATOM 0 H GLU A 63 0.481 5.039 13.506 1.00 1.33 H new ATOM 0 HA GLU A 63 -0.859 7.531 13.875 1.00 2.07 H new ATOM 0 HB2 GLU A 63 -0.713 5.253 15.856 1.00 2.77 H new ATOM 0 HB3 GLU A 63 -1.972 6.460 15.687 1.00 2.77 H new ATOM 0 HG2 GLU A 63 -1.371 4.129 13.848 1.00 2.87 H new ATOM 0 HG3 GLU A 63 -2.812 4.396 14.809 1.00 2.87 H new ATOM 1006 N LYS A 64 1.930 7.210 15.438 1.00 1.46 N ATOM 1007 CA LYS A 64 2.943 7.879 16.267 1.00 1.53 C ATOM 1008 C LYS A 64 3.256 9.316 15.768 1.00 1.51 C ATOM 1009 O LYS A 64 3.910 10.099 16.464 1.00 1.75 O ATOM 1010 CB LYS A 64 4.188 6.960 16.279 1.00 1.60 C ATOM 1011 CG LYS A 64 5.002 6.908 17.583 1.00 2.11 C ATOM 1012 CD LYS A 64 5.659 8.239 17.956 1.00 3.18 C ATOM 1013 CE LYS A 64 6.744 8.066 19.020 1.00 3.49 C ATOM 1014 NZ LYS A 64 7.374 9.372 19.333 1.00 5.17 N ATOM 0 H LYS A 64 2.319 6.456 14.872 1.00 1.46 H new ATOM 0 HA LYS A 64 2.576 8.022 17.283 1.00 1.53 H new ATOM 0 HB2 LYS A 64 3.864 5.947 16.041 1.00 1.60 H new ATOM 0 HB3 LYS A 64 4.853 7.279 15.476 1.00 1.60 H new ATOM 0 HG2 LYS A 64 4.347 6.596 18.397 1.00 2.11 H new ATOM 0 HG3 LYS A 64 5.776 6.146 17.487 1.00 2.11 H new ATOM 0 HD2 LYS A 64 6.095 8.690 17.065 1.00 3.18 H new ATOM 0 HD3 LYS A 64 4.898 8.928 18.323 1.00 3.18 H new ATOM 0 HE2 LYS A 64 6.311 7.638 19.924 1.00 3.49 H new ATOM 0 HE3 LYS A 64 7.501 7.365 18.667 1.00 3.49 H new ATOM 0 HZ1 LYS A 64 8.109 9.238 20.057 1.00 5.17 H new ATOM 0 HZ2 LYS A 64 7.804 9.765 18.472 1.00 5.17 H new ATOM 0 HZ3 LYS A 64 6.651 10.029 19.690 1.00 5.17 H new ATOM 1028 N LEU A 65 2.824 9.665 14.553 1.00 1.12 N ATOM 1029 CA LEU A 65 2.963 11.007 13.982 1.00 1.08 C ATOM 1030 C LEU A 65 2.051 12.014 14.725 1.00 1.49 C ATOM 1031 O LEU A 65 1.010 11.623 15.251 1.00 1.76 O ATOM 1032 CB LEU A 65 2.642 10.937 12.477 1.00 1.10 C ATOM 1033 CG LEU A 65 3.584 10.044 11.639 1.00 1.15 C ATOM 1034 CD1 LEU A 65 3.031 9.975 10.209 1.00 1.66 C ATOM 1035 CD2 LEU A 65 5.027 10.577 11.615 1.00 1.70 C ATOM 0 H LEU A 65 2.358 9.009 13.926 1.00 1.12 H new ATOM 0 HA LEU A 65 3.986 11.364 14.105 1.00 1.08 H new ATOM 0 HB2 LEU A 65 1.622 10.573 12.357 1.00 1.10 H new ATOM 0 HB3 LEU A 65 2.669 11.948 12.070 1.00 1.10 H new ATOM 0 HG LEU A 65 3.620 9.054 12.095 1.00 1.15 H new ATOM 0 HD11 LEU A 65 3.681 9.349 9.597 1.00 1.66 H new ATOM 0 HD12 LEU A 65 2.028 9.549 10.227 1.00 1.66 H new ATOM 0 HD13 LEU A 65 2.991 10.979 9.786 1.00 1.66 H new ATOM 0 HD21 LEU A 65 5.650 9.915 11.013 1.00 1.70 H new ATOM 0 HD22 LEU A 65 5.038 11.577 11.183 1.00 1.70 H new ATOM 0 HD23 LEU A 65 5.417 10.617 12.632 1.00 1.70 H new ATOM 1047 N PRO A 66 2.401 13.315 14.791 1.00 1.26 N ATOM 1048 CA PRO A 66 1.578 14.317 15.466 1.00 1.45 C ATOM 1049 C PRO A 66 0.257 14.542 14.716 1.00 1.58 C ATOM 1050 O PRO A 66 0.198 14.287 13.508 1.00 1.37 O ATOM 1051 CB PRO A 66 2.426 15.593 15.516 1.00 1.59 C ATOM 1052 CG PRO A 66 3.365 15.449 14.323 1.00 1.46 C ATOM 1053 CD PRO A 66 3.588 13.941 14.229 1.00 1.29 C ATOM 0 HA PRO A 66 1.298 13.996 16.469 1.00 1.45 H new ATOM 0 HB2 PRO A 66 1.809 16.488 15.434 1.00 1.59 H new ATOM 0 HB3 PRO A 66 2.978 15.671 16.453 1.00 1.59 H new ATOM 0 HG2 PRO A 66 2.920 15.847 13.411 1.00 1.46 H new ATOM 0 HG3 PRO A 66 4.301 15.985 14.481 1.00 1.46 H new ATOM 0 HD2 PRO A 66 3.736 13.634 13.194 1.00 1.29 H new ATOM 0 HD3 PRO A 66 4.481 13.645 14.780 1.00 1.29 H new ATOM 1061 N PRO A 67 -0.785 15.083 15.375 1.00 1.47 N ATOM 1062 CA PRO A 67 -2.091 15.300 14.760 1.00 1.59 C ATOM 1063 C PRO A 67 -2.061 16.270 13.568 1.00 1.70 C ATOM 1064 O PRO A 67 -3.006 16.270 12.789 1.00 1.71 O ATOM 1065 CB PRO A 67 -3.003 15.797 15.888 1.00 1.83 C ATOM 1066 CG PRO A 67 -2.036 16.401 16.900 1.00 1.88 C ATOM 1067 CD PRO A 67 -0.810 15.500 16.769 1.00 1.65 C ATOM 0 HA PRO A 67 -2.458 14.372 14.321 1.00 1.59 H new ATOM 0 HB2 PRO A 67 -3.718 16.537 15.528 1.00 1.83 H new ATOM 0 HB3 PRO A 67 -3.580 14.982 16.324 1.00 1.83 H new ATOM 0 HG2 PRO A 67 -1.802 17.440 16.667 1.00 1.88 H new ATOM 0 HG3 PRO A 67 -2.445 16.385 17.910 1.00 1.88 H new ATOM 0 HD2 PRO A 67 0.101 16.035 17.036 1.00 1.65 H new ATOM 0 HD3 PRO A 67 -0.881 14.640 17.435 1.00 1.65 H new ATOM 1075 N LYS A 68 -0.985 17.045 13.367 1.00 1.50 N ATOM 1076 CA LYS A 68 -0.845 17.903 12.173 1.00 1.52 C ATOM 1077 C LYS A 68 -0.052 17.257 11.027 1.00 1.59 C ATOM 1078 O LYS A 68 -0.133 17.711 9.886 1.00 1.67 O ATOM 1079 CB LYS A 68 -0.340 19.308 12.566 1.00 1.76 C ATOM 1080 CG LYS A 68 -1.441 20.229 13.145 1.00 2.13 C ATOM 1081 CD LYS A 68 -2.664 20.306 12.214 1.00 2.55 C ATOM 1082 CE LYS A 68 -3.611 21.487 12.427 1.00 3.17 C ATOM 1083 NZ LYS A 68 -4.747 21.372 11.474 1.00 3.51 N ATOM 0 H LYS A 68 -0.198 17.098 14.013 1.00 1.50 H new ATOM 0 HA LYS A 68 -1.842 18.025 11.751 1.00 1.52 H new ATOM 0 HB2 LYS A 68 0.458 19.204 13.302 1.00 1.76 H new ATOM 0 HB3 LYS A 68 0.096 19.786 11.688 1.00 1.76 H new ATOM 0 HG2 LYS A 68 -1.750 19.858 14.122 1.00 2.13 H new ATOM 0 HG3 LYS A 68 -1.036 21.229 13.298 1.00 2.13 H new ATOM 0 HD2 LYS A 68 -2.307 20.336 11.184 1.00 2.55 H new ATOM 0 HD3 LYS A 68 -3.237 19.385 12.326 1.00 2.55 H new ATOM 0 HE2 LYS A 68 -3.979 21.495 13.453 1.00 3.17 H new ATOM 0 HE3 LYS A 68 -3.082 22.427 12.271 1.00 3.17 H new ATOM 0 HZ1 LYS A 68 -5.380 22.189 11.588 1.00 3.51 H new ATOM 0 HZ2 LYS A 68 -4.382 21.349 10.500 1.00 3.51 H new ATOM 0 HZ3 LYS A 68 -5.274 20.497 11.667 1.00 3.51 H new ATOM 1097 N ALA A 69 0.694 16.190 11.307 1.00 1.22 N ATOM 1098 CA ALA A 69 1.095 15.228 10.284 1.00 1.08 C ATOM 1099 C ALA A 69 -0.052 14.290 9.860 1.00 1.17 C ATOM 1100 O ALA A 69 -0.145 14.000 8.674 1.00 1.20 O ATOM 1101 CB ALA A 69 2.313 14.469 10.791 1.00 1.10 C ATOM 0 H ALA A 69 1.035 15.969 12.243 1.00 1.22 H new ATOM 0 HA ALA A 69 1.357 15.767 9.373 1.00 1.08 H new ATOM 0 HB1 ALA A 69 2.629 13.744 10.040 1.00 1.10 H new ATOM 0 HB2 ALA A 69 3.125 15.170 10.982 1.00 1.10 H new ATOM 0 HB3 ALA A 69 2.059 13.948 11.714 1.00 1.10 H new ATOM 1107 N GLN A 70 -0.931 13.857 10.777 1.00 1.11 N ATOM 1108 CA GLN A 70 -2.048 12.940 10.479 1.00 1.20 C ATOM 1109 C GLN A 70 -2.878 13.402 9.267 1.00 1.26 C ATOM 1110 O GLN A 70 -3.065 12.643 8.319 1.00 1.52 O ATOM 1111 CB GLN A 70 -2.925 12.751 11.730 1.00 1.57 C ATOM 1112 CG GLN A 70 -2.324 11.750 12.742 1.00 1.47 C ATOM 1113 CD GLN A 70 -2.515 10.285 12.329 1.00 2.57 C ATOM 1114 OE1 GLN A 70 -2.585 9.955 11.157 1.00 3.69 O ATOM 1115 NE2 GLN A 70 -2.627 9.378 13.278 1.00 3.40 N ATOM 0 H GLN A 70 -0.888 14.135 11.757 1.00 1.11 H new ATOM 0 HA GLN A 70 -1.623 11.975 10.204 1.00 1.20 H new ATOM 0 HB2 GLN A 70 -3.063 13.715 12.219 1.00 1.57 H new ATOM 0 HB3 GLN A 70 -3.912 12.403 11.426 1.00 1.57 H new ATOM 0 HG2 GLN A 70 -1.259 11.953 12.855 1.00 1.47 H new ATOM 0 HG3 GLN A 70 -2.784 11.909 13.717 1.00 1.47 H new ATOM 0 HE21 GLN A 70 -2.568 9.655 14.258 1.00 3.40 H new ATOM 0 HE22 GLN A 70 -2.772 8.399 13.033 1.00 3.40 H new ATOM 1124 N GLU A 71 -3.242 14.690 9.222 1.00 1.25 N ATOM 1125 CA GLU A 71 -3.951 15.369 8.113 1.00 1.36 C ATOM 1126 C GLU A 71 -3.335 15.159 6.722 1.00 1.46 C ATOM 1127 O GLU A 71 -3.955 15.460 5.700 1.00 1.89 O ATOM 1128 CB GLU A 71 -4.014 16.891 8.358 1.00 1.50 C ATOM 1129 CG GLU A 71 -4.245 17.234 9.824 1.00 1.81 C ATOM 1130 CD GLU A 71 -4.693 18.673 10.042 1.00 2.49 C ATOM 1131 OE1 GLU A 71 -4.060 19.607 9.502 1.00 2.88 O ATOM 1132 OE2 GLU A 71 -5.585 18.904 10.885 1.00 3.51 O ATOM 0 H GLU A 71 -3.043 15.325 9.995 1.00 1.25 H new ATOM 0 HA GLU A 71 -4.939 14.908 8.111 1.00 1.36 H new ATOM 0 HB2 GLU A 71 -3.083 17.349 8.023 1.00 1.50 H new ATOM 0 HB3 GLU A 71 -4.815 17.320 7.757 1.00 1.50 H new ATOM 0 HG2 GLU A 71 -4.998 16.560 10.233 1.00 1.81 H new ATOM 0 HG3 GLU A 71 -3.324 17.059 10.380 1.00 1.81 H new ATOM 1139 N ARG A 72 -2.077 14.720 6.693 1.00 0.97 N ATOM 1140 CA ARG A 72 -1.259 14.475 5.516 1.00 1.03 C ATOM 1141 C ARG A 72 -1.148 12.987 5.148 1.00 1.25 C ATOM 1142 O ARG A 72 -0.767 12.729 4.013 1.00 1.53 O ATOM 1143 CB ARG A 72 0.140 15.058 5.735 1.00 1.27 C ATOM 1144 CG ARG A 72 0.083 16.490 6.290 1.00 1.51 C ATOM 1145 CD ARG A 72 1.479 17.077 6.192 1.00 1.70 C ATOM 1146 NE ARG A 72 1.523 18.483 6.617 1.00 2.34 N ATOM 1147 CZ ARG A 72 2.532 19.308 6.359 1.00 3.00 C ATOM 1148 NH1 ARG A 72 3.635 18.901 5.775 1.00 3.60 N ATOM 1149 NH2 ARG A 72 2.445 20.579 6.689 1.00 3.82 N ATOM 0 H ARG A 72 -1.572 14.513 7.554 1.00 0.97 H new ATOM 0 HA ARG A 72 -1.756 14.967 4.679 1.00 1.03 H new ATOM 0 HB2 ARG A 72 0.694 14.423 6.426 1.00 1.27 H new ATOM 0 HB3 ARG A 72 0.686 15.056 4.792 1.00 1.27 H new ATOM 0 HG2 ARG A 72 -0.626 17.092 5.722 1.00 1.51 H new ATOM 0 HG3 ARG A 72 -0.259 16.486 7.325 1.00 1.51 H new ATOM 0 HD2 ARG A 72 2.161 16.492 6.809 1.00 1.70 H new ATOM 0 HD3 ARG A 72 1.832 16.999 5.164 1.00 1.70 H new ATOM 0 HE ARG A 72 0.729 18.848 7.143 1.00 2.34 H new ATOM 0 HH11 ARG A 72 3.738 17.923 5.504 1.00 3.60 H new ATOM 0 HH12 ARG A 72 4.389 19.563 5.592 1.00 3.60 H new ATOM 0 HH21 ARG A 72 1.602 20.931 7.143 1.00 3.82 H new ATOM 0 HH22 ARG A 72 3.220 21.212 6.491 1.00 3.82 H new ATOM 1163 N VAL A 73 -1.436 12.027 6.036 1.00 0.90 N ATOM 1164 CA VAL A 73 -1.083 10.591 5.889 1.00 0.89 C ATOM 1165 C VAL A 73 -2.318 9.679 5.767 1.00 1.14 C ATOM 1166 O VAL A 73 -3.312 9.851 6.469 1.00 1.51 O ATOM 1167 CB VAL A 73 -0.155 10.088 7.036 1.00 1.03 C ATOM 1168 CG1 VAL A 73 1.299 10.529 6.807 1.00 2.40 C ATOM 1169 CG2 VAL A 73 -0.601 10.504 8.432 1.00 2.31 C ATOM 0 H VAL A 73 -1.935 12.223 6.904 1.00 0.90 H new ATOM 0 HA VAL A 73 -0.532 10.527 4.951 1.00 0.89 H new ATOM 0 HB VAL A 73 -0.227 9.001 6.997 1.00 1.03 H new ATOM 0 HG11 VAL A 73 1.923 10.164 7.623 1.00 2.40 H new ATOM 0 HG12 VAL A 73 1.659 10.119 5.863 1.00 2.40 H new ATOM 0 HG13 VAL A 73 1.348 11.617 6.772 1.00 2.40 H new ATOM 0 HG21 VAL A 73 0.100 10.113 9.170 1.00 2.31 H new ATOM 0 HG22 VAL A 73 -0.626 11.592 8.497 1.00 2.31 H new ATOM 0 HG23 VAL A 73 -1.596 10.106 8.630 1.00 2.31 H new ATOM 1179 N GLN A 74 -2.260 8.724 4.830 1.00 0.76 N ATOM 1180 CA GLN A 74 -3.252 7.659 4.604 1.00 0.76 C ATOM 1181 C GLN A 74 -2.589 6.343 4.159 1.00 1.02 C ATOM 1182 O GLN A 74 -1.831 6.360 3.188 1.00 1.26 O ATOM 1183 CB GLN A 74 -4.250 8.103 3.512 1.00 0.92 C ATOM 1184 CG GLN A 74 -5.408 8.974 4.018 1.00 1.39 C ATOM 1185 CD GLN A 74 -6.282 8.174 4.978 1.00 2.06 C ATOM 1186 OE1 GLN A 74 -7.120 7.392 4.565 1.00 3.19 O ATOM 1187 NE2 GLN A 74 -6.054 8.271 6.266 1.00 3.24 N ATOM 0 H GLN A 74 -1.481 8.668 4.174 1.00 0.76 H new ATOM 0 HA GLN A 74 -3.766 7.484 5.549 1.00 0.76 H new ATOM 0 HB2 GLN A 74 -3.707 8.655 2.745 1.00 0.92 H new ATOM 0 HB3 GLN A 74 -4.663 7.215 3.034 1.00 0.92 H new ATOM 0 HG2 GLN A 74 -5.016 9.858 4.521 1.00 1.39 H new ATOM 0 HG3 GLN A 74 -6.005 9.325 3.176 1.00 1.39 H new ATOM 0 HE21 GLN A 74 -5.352 8.926 6.612 1.00 3.24 H new ATOM 0 HE22 GLN A 74 -6.578 7.692 6.922 1.00 3.24 H new ATOM 1196 N VAL A 75 -2.930 5.198 4.769 1.00 0.83 N ATOM 1197 CA VAL A 75 -2.536 3.867 4.251 1.00 0.71 C ATOM 1198 C VAL A 75 -3.712 3.277 3.476 1.00 0.82 C ATOM 1199 O VAL A 75 -4.783 3.050 4.043 1.00 1.10 O ATOM 1200 CB VAL A 75 -2.101 2.864 5.348 1.00 0.74 C ATOM 1201 CG1 VAL A 75 -1.688 1.505 4.747 1.00 0.76 C ATOM 1202 CG2 VAL A 75 -0.926 3.388 6.181 1.00 1.11 C ATOM 0 H VAL A 75 -3.481 5.161 5.627 1.00 0.83 H new ATOM 0 HA VAL A 75 -1.664 4.024 3.616 1.00 0.71 H new ATOM 0 HB VAL A 75 -2.973 2.739 5.990 1.00 0.74 H new ATOM 0 HG11 VAL A 75 -1.389 0.829 5.548 1.00 0.76 H new ATOM 0 HG12 VAL A 75 -2.531 1.076 4.205 1.00 0.76 H new ATOM 0 HG13 VAL A 75 -0.852 1.649 4.063 1.00 0.76 H new ATOM 0 HG21 VAL A 75 -0.658 2.650 6.937 1.00 1.11 H new ATOM 0 HG22 VAL A 75 -0.070 3.569 5.530 1.00 1.11 H new ATOM 0 HG23 VAL A 75 -1.213 4.319 6.670 1.00 1.11 H new ATOM 1212 N ILE A 76 -3.493 2.999 2.190 1.00 0.68 N ATOM 1213 CA ILE A 76 -4.418 2.264 1.326 1.00 0.65 C ATOM 1214 C ILE A 76 -3.866 0.849 1.125 1.00 0.83 C ATOM 1215 O ILE A 76 -2.739 0.659 0.660 1.00 1.02 O ATOM 1216 CB ILE A 76 -4.617 3.019 -0.013 1.00 0.67 C ATOM 1217 CG1 ILE A 76 -5.657 4.162 0.069 1.00 0.95 C ATOM 1218 CG2 ILE A 76 -5.107 2.082 -1.130 1.00 0.69 C ATOM 1219 CD1 ILE A 76 -5.365 5.272 1.079 1.00 1.72 C ATOM 0 H ILE A 76 -2.642 3.287 1.707 1.00 0.68 H new ATOM 0 HA ILE A 76 -5.403 2.189 1.787 1.00 0.65 H new ATOM 0 HB ILE A 76 -3.631 3.428 -0.231 1.00 0.67 H new ATOM 0 HG12 ILE A 76 -5.748 4.614 -0.919 1.00 0.95 H new ATOM 0 HG13 ILE A 76 -6.626 3.726 0.310 1.00 0.95 H new ATOM 0 HG21 ILE A 76 -5.234 2.650 -2.052 1.00 0.69 H new ATOM 0 HG22 ILE A 76 -4.374 1.291 -1.289 1.00 0.69 H new ATOM 0 HG23 ILE A 76 -6.061 1.640 -0.842 1.00 0.69 H new ATOM 0 HD11 ILE A 76 -6.163 6.014 1.045 1.00 1.72 H new ATOM 0 HD12 ILE A 76 -5.308 4.847 2.081 1.00 1.72 H new ATOM 0 HD13 ILE A 76 -4.416 5.748 0.832 1.00 1.72 H new ATOM 1231 N PHE A 77 -4.689 -0.162 1.401 1.00 0.62 N ATOM 1232 CA PHE A 77 -4.408 -1.547 1.044 1.00 0.61 C ATOM 1233 C PHE A 77 -5.145 -1.885 -0.264 1.00 1.52 C ATOM 1234 O PHE A 77 -6.371 -1.793 -0.310 1.00 1.90 O ATOM 1235 CB PHE A 77 -4.834 -2.447 2.213 1.00 0.61 C ATOM 1236 CG PHE A 77 -4.737 -3.929 1.915 1.00 0.74 C ATOM 1237 CD1 PHE A 77 -3.482 -4.562 1.868 1.00 1.90 C ATOM 1238 CD2 PHE A 77 -5.903 -4.670 1.662 1.00 2.31 C ATOM 1239 CE1 PHE A 77 -3.395 -5.939 1.596 1.00 1.86 C ATOM 1240 CE2 PHE A 77 -5.819 -6.043 1.378 1.00 2.28 C ATOM 1241 CZ PHE A 77 -4.568 -6.679 1.356 1.00 0.96 C ATOM 0 H PHE A 77 -5.579 -0.038 1.884 1.00 0.62 H new ATOM 0 HA PHE A 77 -3.344 -1.709 0.869 1.00 0.61 H new ATOM 0 HB2 PHE A 77 -4.212 -2.219 3.079 1.00 0.61 H new ATOM 0 HB3 PHE A 77 -5.862 -2.208 2.487 1.00 0.61 H new ATOM 0 HD1 PHE A 77 -2.583 -3.989 2.041 1.00 1.90 H new ATOM 0 HD2 PHE A 77 -6.867 -4.183 1.686 1.00 2.31 H new ATOM 0 HE1 PHE A 77 -2.432 -6.427 1.571 1.00 1.86 H new ATOM 0 HE2 PHE A 77 -6.716 -6.609 1.177 1.00 2.28 H new ATOM 0 HZ PHE A 77 -4.505 -7.738 1.155 1.00 0.96 H new ATOM 1251 N VAL A 78 -4.407 -2.291 -1.305 1.00 0.63 N ATOM 1252 CA VAL A 78 -4.979 -2.813 -2.557 1.00 0.61 C ATOM 1253 C VAL A 78 -4.938 -4.339 -2.527 1.00 0.87 C ATOM 1254 O VAL A 78 -3.874 -4.958 -2.443 1.00 1.04 O ATOM 1255 CB VAL A 78 -4.275 -2.270 -3.821 1.00 0.60 C ATOM 1256 CG1 VAL A 78 -4.766 -2.955 -5.113 1.00 0.90 C ATOM 1257 CG2 VAL A 78 -4.552 -0.766 -3.962 1.00 1.16 C ATOM 0 H VAL A 78 -3.387 -2.267 -1.304 1.00 0.63 H new ATOM 0 HA VAL A 78 -6.010 -2.465 -2.619 1.00 0.61 H new ATOM 0 HB VAL A 78 -3.212 -2.475 -3.697 1.00 0.60 H new ATOM 0 HG11 VAL A 78 -4.239 -2.536 -5.970 1.00 0.90 H new ATOM 0 HG12 VAL A 78 -4.570 -4.026 -5.054 1.00 0.90 H new ATOM 0 HG13 VAL A 78 -5.837 -2.788 -5.229 1.00 0.90 H new ATOM 0 HG21 VAL A 78 -4.054 -0.386 -4.854 1.00 1.16 H new ATOM 0 HG22 VAL A 78 -5.626 -0.600 -4.047 1.00 1.16 H new ATOM 0 HG23 VAL A 78 -4.173 -0.242 -3.084 1.00 1.16 H new ATOM 1267 N SER A 79 -6.127 -4.926 -2.603 1.00 0.77 N ATOM 1268 CA SER A 79 -6.323 -6.374 -2.612 1.00 0.93 C ATOM 1269 C SER A 79 -5.963 -6.962 -3.979 1.00 0.99 C ATOM 1270 O SER A 79 -6.570 -6.626 -4.994 1.00 1.37 O ATOM 1271 CB SER A 79 -7.765 -6.735 -2.277 1.00 1.31 C ATOM 1272 OG SER A 79 -8.177 -6.071 -1.094 1.00 2.97 O ATOM 0 H SER A 79 -6.999 -4.400 -2.661 1.00 0.77 H new ATOM 0 HA SER A 79 -5.665 -6.796 -1.852 1.00 0.93 H new ATOM 0 HB2 SER A 79 -8.418 -6.457 -3.104 1.00 1.31 H new ATOM 0 HB3 SER A 79 -7.856 -7.813 -2.147 1.00 1.31 H new ATOM 0 HG SER A 79 -8.513 -5.179 -1.320 1.00 2.97 H new ATOM 1278 N VAL A 80 -4.990 -7.866 -4.005 1.00 0.99 N ATOM 1279 CA VAL A 80 -4.321 -8.319 -5.248 1.00 1.04 C ATOM 1280 C VAL A 80 -4.961 -9.579 -5.865 1.00 1.35 C ATOM 1281 O VAL A 80 -4.561 -10.017 -6.944 1.00 1.43 O ATOM 1282 CB VAL A 80 -2.812 -8.508 -4.975 1.00 1.18 C ATOM 1283 CG1 VAL A 80 -2.550 -9.779 -4.164 1.00 2.42 C ATOM 1284 CG2 VAL A 80 -1.927 -8.462 -6.236 1.00 2.07 C ATOM 0 H VAL A 80 -4.631 -8.317 -3.164 1.00 0.99 H new ATOM 0 HA VAL A 80 -4.456 -7.543 -6.001 1.00 1.04 H new ATOM 0 HB VAL A 80 -2.517 -7.642 -4.382 1.00 1.18 H new ATOM 0 HG11 VAL A 80 -1.479 -9.884 -3.988 1.00 2.42 H new ATOM 0 HG12 VAL A 80 -3.070 -9.714 -3.208 1.00 2.42 H new ATOM 0 HG13 VAL A 80 -2.914 -10.645 -4.717 1.00 2.42 H new ATOM 0 HG21 VAL A 80 -0.884 -8.603 -5.954 1.00 2.07 H new ATOM 0 HG22 VAL A 80 -2.228 -9.255 -6.921 1.00 2.07 H new ATOM 0 HG23 VAL A 80 -2.043 -7.496 -6.727 1.00 2.07 H new ATOM 1294 N ASP A 81 -5.944 -10.172 -5.178 1.00 1.04 N ATOM 1295 CA ASP A 81 -6.555 -11.453 -5.530 1.00 1.11 C ATOM 1296 C ASP A 81 -8.036 -11.442 -5.092 1.00 1.41 C ATOM 1297 O ASP A 81 -8.347 -11.812 -3.956 1.00 1.72 O ATOM 1298 CB ASP A 81 -5.733 -12.572 -4.877 1.00 1.37 C ATOM 1299 CG ASP A 81 -6.214 -13.954 -5.305 1.00 1.76 C ATOM 1300 OD1 ASP A 81 -7.113 -14.505 -4.639 1.00 2.78 O ATOM 1301 OD2 ASP A 81 -5.667 -14.536 -6.270 1.00 2.41 O ATOM 0 H ASP A 81 -6.346 -9.759 -4.337 1.00 1.04 H new ATOM 0 HA ASP A 81 -6.549 -11.627 -6.606 1.00 1.11 H new ATOM 0 HB2 ASP A 81 -4.683 -12.454 -5.144 1.00 1.37 H new ATOM 0 HB3 ASP A 81 -5.798 -12.485 -3.792 1.00 1.37 H new ATOM 1306 N PRO A 82 -8.954 -10.942 -5.946 1.00 1.38 N ATOM 1307 CA PRO A 82 -10.334 -10.666 -5.553 1.00 1.83 C ATOM 1308 C PRO A 82 -11.144 -11.939 -5.278 1.00 2.30 C ATOM 1309 O PRO A 82 -12.106 -11.875 -4.515 1.00 2.88 O ATOM 1310 CB PRO A 82 -10.930 -9.838 -6.699 1.00 2.04 C ATOM 1311 CG PRO A 82 -10.093 -10.234 -7.911 1.00 1.91 C ATOM 1312 CD PRO A 82 -8.713 -10.479 -7.305 1.00 1.45 C ATOM 0 HA PRO A 82 -10.365 -10.124 -4.608 1.00 1.83 H new ATOM 0 HB2 PRO A 82 -11.985 -10.066 -6.850 1.00 2.04 H new ATOM 0 HB3 PRO A 82 -10.861 -8.769 -6.498 1.00 2.04 H new ATOM 0 HG2 PRO A 82 -10.485 -11.127 -8.399 1.00 1.91 H new ATOM 0 HG3 PRO A 82 -10.070 -9.444 -8.662 1.00 1.91 H new ATOM 0 HD2 PRO A 82 -8.160 -11.222 -7.879 1.00 1.45 H new ATOM 0 HD3 PRO A 82 -8.117 -9.566 -7.307 1.00 1.45 H new ATOM 1320 N GLU A 83 -10.747 -13.095 -5.832 1.00 1.86 N ATOM 1321 CA GLU A 83 -11.363 -14.389 -5.522 1.00 2.19 C ATOM 1322 C GLU A 83 -11.012 -14.917 -4.112 1.00 2.52 C ATOM 1323 O GLU A 83 -11.569 -15.931 -3.683 1.00 3.00 O ATOM 1324 CB GLU A 83 -11.080 -15.418 -6.634 1.00 2.01 C ATOM 1325 CG GLU A 83 -9.614 -15.843 -6.793 1.00 3.50 C ATOM 1326 CD GLU A 83 -8.860 -15.062 -7.869 1.00 3.15 C ATOM 1327 OE1 GLU A 83 -8.845 -13.813 -7.814 1.00 3.95 O ATOM 1328 OE2 GLU A 83 -8.249 -15.733 -8.739 1.00 3.16 O ATOM 0 H GLU A 83 -9.987 -13.156 -6.510 1.00 1.86 H new ATOM 0 HA GLU A 83 -12.440 -14.225 -5.495 1.00 2.19 H new ATOM 0 HB2 GLU A 83 -11.678 -16.309 -6.440 1.00 2.01 H new ATOM 0 HB3 GLU A 83 -11.424 -15.004 -7.582 1.00 2.01 H new ATOM 0 HG2 GLU A 83 -9.103 -15.716 -5.839 1.00 3.50 H new ATOM 0 HG3 GLU A 83 -9.577 -16.905 -7.035 1.00 3.50 H new ATOM 1335 N ARG A 84 -10.131 -14.237 -3.364 1.00 2.13 N ATOM 1336 CA ARG A 84 -10.027 -14.347 -1.902 1.00 2.30 C ATOM 1337 C ARG A 84 -10.473 -13.062 -1.198 1.00 2.01 C ATOM 1338 O ARG A 84 -11.142 -13.141 -0.161 1.00 2.19 O ATOM 1339 CB ARG A 84 -8.577 -14.671 -1.484 1.00 2.93 C ATOM 1340 CG ARG A 84 -8.358 -16.153 -1.131 1.00 3.25 C ATOM 1341 CD ARG A 84 -8.659 -17.140 -2.265 1.00 2.55 C ATOM 1342 NE ARG A 84 -7.852 -16.843 -3.453 1.00 3.68 N ATOM 1343 CZ ARG A 84 -7.424 -17.666 -4.391 1.00 4.80 C ATOM 1344 NH1 ARG A 84 -7.627 -18.965 -4.342 1.00 4.91 N ATOM 1345 NH2 ARG A 84 -6.789 -17.173 -5.424 1.00 6.50 N ATOM 0 H ARG A 84 -9.459 -13.583 -3.766 1.00 2.13 H new ATOM 0 HA ARG A 84 -10.691 -15.156 -1.598 1.00 2.30 H new ATOM 0 HB2 ARG A 84 -7.903 -14.395 -2.295 1.00 2.93 H new ATOM 0 HB3 ARG A 84 -8.309 -14.057 -0.624 1.00 2.93 H new ATOM 0 HG2 ARG A 84 -7.323 -16.287 -0.818 1.00 3.25 H new ATOM 0 HG3 ARG A 84 -8.985 -16.404 -0.275 1.00 3.25 H new ATOM 0 HD2 ARG A 84 -8.456 -18.157 -1.929 1.00 2.55 H new ATOM 0 HD3 ARG A 84 -9.718 -17.093 -2.520 1.00 2.55 H new ATOM 0 HE ARG A 84 -7.585 -15.866 -3.570 1.00 3.68 H new ATOM 0 HH11 ARG A 84 -8.133 -19.373 -3.556 1.00 4.91 H new ATOM 0 HH12 ARG A 84 -7.278 -19.564 -5.090 1.00 4.91 H new ATOM 0 HH21 ARG A 84 -6.632 -16.168 -5.494 1.00 6.50 H new ATOM 0 HH22 ARG A 84 -6.451 -17.794 -6.159 1.00 6.50 H new ATOM 1359 N ASP A 85 -10.055 -11.898 -1.688 1.00 1.52 N ATOM 1360 CA ASP A 85 -10.041 -10.641 -0.933 1.00 1.38 C ATOM 1361 C ASP A 85 -10.936 -9.542 -1.543 1.00 1.29 C ATOM 1362 O ASP A 85 -10.426 -8.619 -2.175 1.00 1.50 O ATOM 1363 CB ASP A 85 -8.562 -10.257 -0.691 1.00 1.60 C ATOM 1364 CG ASP A 85 -8.079 -11.028 0.538 1.00 1.78 C ATOM 1365 OD1 ASP A 85 -8.637 -10.762 1.628 1.00 2.56 O ATOM 1366 OD2 ASP A 85 -7.190 -11.904 0.435 1.00 2.57 O ATOM 0 H ASP A 85 -9.708 -11.797 -2.642 1.00 1.52 H new ATOM 0 HA ASP A 85 -10.514 -10.774 0.040 1.00 1.38 H new ATOM 0 HB2 ASP A 85 -7.955 -10.505 -1.562 1.00 1.60 H new ATOM 0 HB3 ASP A 85 -8.467 -9.183 -0.531 1.00 1.60 H new ATOM 1371 N PRO A 86 -12.273 -9.621 -1.333 1.00 1.00 N ATOM 1372 CA PRO A 86 -13.239 -8.590 -1.714 1.00 1.06 C ATOM 1373 C PRO A 86 -13.132 -7.339 -0.819 1.00 1.21 C ATOM 1374 O PRO A 86 -12.500 -7.384 0.239 1.00 1.15 O ATOM 1375 CB PRO A 86 -14.613 -9.270 -1.612 1.00 1.03 C ATOM 1376 CG PRO A 86 -14.417 -10.313 -0.522 1.00 0.92 C ATOM 1377 CD PRO A 86 -12.970 -10.744 -0.715 1.00 0.94 C ATOM 0 HA PRO A 86 -13.056 -8.217 -2.722 1.00 1.06 H new ATOM 0 HB2 PRO A 86 -15.394 -8.557 -1.349 1.00 1.03 H new ATOM 0 HB3 PRO A 86 -14.905 -9.728 -2.557 1.00 1.03 H new ATOM 0 HG2 PRO A 86 -14.584 -9.895 0.471 1.00 0.92 H new ATOM 0 HG3 PRO A 86 -15.106 -11.150 -0.636 1.00 0.92 H new ATOM 0 HD2 PRO A 86 -12.514 -11.004 0.240 1.00 0.94 H new ATOM 0 HD3 PRO A 86 -12.912 -11.630 -1.347 1.00 0.94 H new ATOM 1385 N PRO A 87 -13.724 -6.195 -1.227 1.00 0.85 N ATOM 1386 CA PRO A 87 -13.342 -4.891 -0.696 1.00 0.94 C ATOM 1387 C PRO A 87 -13.741 -4.639 0.761 1.00 1.23 C ATOM 1388 O PRO A 87 -13.060 -3.879 1.441 1.00 1.22 O ATOM 1389 CB PRO A 87 -14.008 -3.863 -1.615 1.00 0.95 C ATOM 1390 CG PRO A 87 -15.146 -4.611 -2.296 1.00 0.94 C ATOM 1391 CD PRO A 87 -14.614 -6.037 -2.375 1.00 0.86 C ATOM 0 HA PRO A 87 -12.254 -4.825 -0.681 1.00 0.94 H new ATOM 0 HB2 PRO A 87 -14.382 -3.011 -1.047 1.00 0.95 H new ATOM 0 HB3 PRO A 87 -13.300 -3.473 -2.347 1.00 0.95 H new ATOM 0 HG2 PRO A 87 -16.069 -4.555 -1.719 1.00 0.94 H new ATOM 0 HG3 PRO A 87 -15.363 -4.205 -3.284 1.00 0.94 H new ATOM 0 HD2 PRO A 87 -15.429 -6.761 -2.341 1.00 0.86 H new ATOM 0 HD3 PRO A 87 -14.079 -6.203 -3.310 1.00 0.86 H new ATOM 1399 N GLU A 88 -14.849 -5.209 1.242 1.00 0.94 N ATOM 1400 CA GLU A 88 -15.280 -5.050 2.637 1.00 1.11 C ATOM 1401 C GLU A 88 -14.503 -5.930 3.620 1.00 1.36 C ATOM 1402 O GLU A 88 -14.229 -5.494 4.734 1.00 1.54 O ATOM 1403 CB GLU A 88 -16.801 -5.150 2.793 1.00 1.62 C ATOM 1404 CG GLU A 88 -17.507 -6.126 1.860 1.00 1.13 C ATOM 1405 CD GLU A 88 -16.976 -7.529 2.101 1.00 2.54 C ATOM 1406 OE1 GLU A 88 -17.365 -8.130 3.128 1.00 3.00 O ATOM 1407 OE2 GLU A 88 -16.015 -7.903 1.394 1.00 3.93 O ATOM 0 H GLU A 88 -15.471 -5.791 0.681 1.00 0.94 H new ATOM 0 HA GLU A 88 -15.019 -4.030 2.918 1.00 1.11 H new ATOM 0 HB2 GLU A 88 -17.022 -5.437 3.821 1.00 1.62 H new ATOM 0 HB3 GLU A 88 -17.228 -4.159 2.640 1.00 1.62 H new ATOM 0 HG2 GLU A 88 -18.583 -6.098 2.033 1.00 1.13 H new ATOM 0 HG3 GLU A 88 -17.343 -5.837 0.822 1.00 1.13 H new ATOM 1414 N VAL A 89 -14.141 -7.148 3.210 1.00 1.11 N ATOM 1415 CA VAL A 89 -13.177 -8.031 3.905 1.00 1.04 C ATOM 1416 C VAL A 89 -11.852 -7.286 4.081 1.00 1.40 C ATOM 1417 O VAL A 89 -11.331 -7.221 5.196 1.00 1.40 O ATOM 1418 CB VAL A 89 -12.926 -9.360 3.141 1.00 1.02 C ATOM 1419 CG1 VAL A 89 -11.695 -10.140 3.647 1.00 1.14 C ATOM 1420 CG2 VAL A 89 -14.123 -10.317 3.252 1.00 1.05 C ATOM 0 H VAL A 89 -14.517 -7.568 2.360 1.00 1.11 H new ATOM 0 HA VAL A 89 -13.607 -8.291 4.872 1.00 1.04 H new ATOM 0 HB VAL A 89 -12.761 -9.045 2.111 1.00 1.02 H new ATOM 0 HG11 VAL A 89 -11.582 -11.056 3.068 1.00 1.14 H new ATOM 0 HG12 VAL A 89 -10.802 -9.525 3.532 1.00 1.14 H new ATOM 0 HG13 VAL A 89 -11.830 -10.390 4.699 1.00 1.14 H new ATOM 0 HG21 VAL A 89 -13.907 -11.234 2.704 1.00 1.05 H new ATOM 0 HG22 VAL A 89 -14.303 -10.554 4.301 1.00 1.05 H new ATOM 0 HG23 VAL A 89 -15.009 -9.842 2.830 1.00 1.05 H new ATOM 1430 N ALA A 90 -11.343 -6.699 2.991 1.00 1.18 N ATOM 1431 CA ALA A 90 -10.145 -5.867 2.981 1.00 1.24 C ATOM 1432 C ALA A 90 -10.265 -4.661 3.934 1.00 1.46 C ATOM 1433 O ALA A 90 -9.352 -4.390 4.715 1.00 1.54 O ATOM 1434 CB ALA A 90 -9.911 -5.448 1.522 1.00 1.27 C ATOM 0 H ALA A 90 -11.769 -6.796 2.069 1.00 1.18 H new ATOM 0 HA ALA A 90 -9.286 -6.424 3.355 1.00 1.24 H new ATOM 0 HB1 ALA A 90 -9.021 -4.821 1.462 1.00 1.27 H new ATOM 0 HB2 ALA A 90 -9.771 -6.336 0.906 1.00 1.27 H new ATOM 0 HB3 ALA A 90 -10.774 -4.889 1.161 1.00 1.27 H new ATOM 1440 N ASP A 91 -11.397 -3.947 3.902 1.00 1.20 N ATOM 1441 CA ASP A 91 -11.614 -2.756 4.728 1.00 1.21 C ATOM 1442 C ASP A 91 -11.781 -3.091 6.209 1.00 1.45 C ATOM 1443 O ASP A 91 -11.153 -2.435 7.031 1.00 1.51 O ATOM 1444 CB ASP A 91 -12.792 -1.928 4.208 1.00 1.19 C ATOM 1445 CG ASP A 91 -12.818 -0.536 4.850 1.00 1.30 C ATOM 1446 OD1 ASP A 91 -11.798 0.188 4.770 1.00 2.01 O ATOM 1447 OD2 ASP A 91 -13.851 -0.154 5.448 1.00 2.17 O ATOM 0 H ASP A 91 -12.188 -4.180 3.302 1.00 1.20 H new ATOM 0 HA ASP A 91 -10.712 -2.150 4.646 1.00 1.21 H new ATOM 0 HB2 ASP A 91 -12.721 -1.830 3.125 1.00 1.19 H new ATOM 0 HB3 ASP A 91 -13.727 -2.447 4.421 1.00 1.19 H new ATOM 1452 N ARG A 92 -12.536 -4.136 6.575 1.00 1.31 N ATOM 1453 CA ARG A 92 -12.587 -4.640 7.959 1.00 1.31 C ATOM 1454 C ARG A 92 -11.193 -4.861 8.508 1.00 1.66 C ATOM 1455 O ARG A 92 -10.850 -4.393 9.589 1.00 1.93 O ATOM 1456 CB ARG A 92 -13.314 -5.991 8.039 1.00 1.21 C ATOM 1457 CG ARG A 92 -14.813 -5.776 7.963 1.00 1.94 C ATOM 1458 CD ARG A 92 -15.628 -7.034 8.290 1.00 1.54 C ATOM 1459 NE ARG A 92 -15.499 -8.117 7.297 1.00 2.25 N ATOM 1460 CZ ARG A 92 -16.142 -8.162 6.134 1.00 3.31 C ATOM 1461 NH1 ARG A 92 -16.767 -7.130 5.639 1.00 3.68 N ATOM 1462 NH2 ARG A 92 -16.201 -9.245 5.399 1.00 4.92 N ATOM 0 H ARG A 92 -13.127 -4.655 5.925 1.00 1.31 H new ATOM 0 HA ARG A 92 -13.119 -3.885 8.538 1.00 1.31 H new ATOM 0 HB2 ARG A 92 -12.989 -6.638 7.224 1.00 1.21 H new ATOM 0 HB3 ARG A 92 -13.057 -6.497 8.969 1.00 1.21 H new ATOM 0 HG2 ARG A 92 -15.094 -4.981 8.654 1.00 1.94 H new ATOM 0 HG3 ARG A 92 -15.073 -5.434 6.961 1.00 1.94 H new ATOM 0 HD2 ARG A 92 -15.316 -7.411 9.264 1.00 1.54 H new ATOM 0 HD3 ARG A 92 -16.679 -6.759 8.376 1.00 1.54 H new ATOM 0 HE ARG A 92 -14.870 -8.889 7.519 1.00 2.25 H new ATOM 0 HH11 ARG A 92 -16.775 -6.246 6.148 1.00 3.68 H new ATOM 0 HH12 ARG A 92 -17.248 -7.207 4.743 1.00 3.68 H new ATOM 0 HH21 ARG A 92 -15.742 -10.100 5.713 1.00 4.92 H new ATOM 0 HH22 ARG A 92 -16.706 -9.233 4.513 1.00 4.92 H new ATOM 1476 N TYR A 93 -10.398 -5.594 7.748 1.00 1.35 N ATOM 1477 CA TYR A 93 -9.025 -5.922 8.127 1.00 1.39 C ATOM 1478 C TYR A 93 -8.143 -4.667 8.292 1.00 1.71 C ATOM 1479 O TYR A 93 -7.504 -4.505 9.335 1.00 1.91 O ATOM 1480 CB TYR A 93 -8.442 -6.897 7.107 1.00 1.40 C ATOM 1481 CG TYR A 93 -7.393 -7.838 7.667 1.00 1.56 C ATOM 1482 CD1 TYR A 93 -6.176 -7.343 8.177 1.00 2.44 C ATOM 1483 CD2 TYR A 93 -7.631 -9.226 7.644 1.00 2.14 C ATOM 1484 CE1 TYR A 93 -5.190 -8.235 8.643 1.00 2.51 C ATOM 1485 CE2 TYR A 93 -6.652 -10.120 8.112 1.00 2.43 C ATOM 1486 CZ TYR A 93 -5.429 -9.629 8.612 1.00 2.03 C ATOM 1487 OH TYR A 93 -4.490 -10.495 9.075 1.00 2.41 O ATOM 0 H TYR A 93 -10.682 -5.982 6.848 1.00 1.35 H new ATOM 0 HA TYR A 93 -9.042 -6.399 9.107 1.00 1.39 H new ATOM 0 HB2 TYR A 93 -9.254 -7.488 6.683 1.00 1.40 H new ATOM 0 HB3 TYR A 93 -8.002 -6.327 6.289 1.00 1.40 H new ATOM 0 HD1 TYR A 93 -5.999 -6.278 8.211 1.00 2.44 H new ATOM 0 HD2 TYR A 93 -8.569 -9.605 7.266 1.00 2.14 H new ATOM 0 HE1 TYR A 93 -4.253 -7.855 9.023 1.00 2.51 H new ATOM 0 HE2 TYR A 93 -6.837 -11.184 8.088 1.00 2.43 H new ATOM 0 HH TYR A 93 -4.817 -11.414 8.981 1.00 2.41 H new ATOM 1497 N ALA A 94 -8.140 -3.758 7.307 1.00 1.31 N ATOM 1498 CA ALA A 94 -7.401 -2.492 7.367 1.00 1.30 C ATOM 1499 C ALA A 94 -7.821 -1.654 8.586 1.00 1.47 C ATOM 1500 O ALA A 94 -6.983 -1.270 9.405 1.00 1.45 O ATOM 1501 CB ALA A 94 -7.623 -1.726 6.053 1.00 1.35 C ATOM 0 H ALA A 94 -8.657 -3.884 6.437 1.00 1.31 H new ATOM 0 HA ALA A 94 -6.338 -2.700 7.486 1.00 1.30 H new ATOM 0 HB1 ALA A 94 -7.078 -0.782 6.085 1.00 1.35 H new ATOM 0 HB2 ALA A 94 -7.262 -2.325 5.217 1.00 1.35 H new ATOM 0 HB3 ALA A 94 -8.687 -1.527 5.923 1.00 1.35 H new ATOM 1507 N LYS A 95 -9.130 -1.447 8.743 1.00 1.33 N ATOM 1508 CA LYS A 95 -9.740 -0.663 9.820 1.00 1.41 C ATOM 1509 C LYS A 95 -9.572 -1.313 11.207 1.00 1.50 C ATOM 1510 O LYS A 95 -9.517 -0.587 12.201 1.00 1.65 O ATOM 1511 CB LYS A 95 -11.230 -0.416 9.513 1.00 1.51 C ATOM 1512 CG LYS A 95 -11.531 0.345 8.205 1.00 1.65 C ATOM 1513 CD LYS A 95 -11.432 1.871 8.318 1.00 1.69 C ATOM 1514 CE LYS A 95 -11.661 2.557 6.960 1.00 2.20 C ATOM 1515 NZ LYS A 95 -12.983 2.266 6.365 1.00 1.90 N ATOM 0 H LYS A 95 -9.820 -1.835 8.100 1.00 1.33 H new ATOM 0 HA LYS A 95 -9.212 0.290 9.861 1.00 1.41 H new ATOM 0 HB2 LYS A 95 -11.738 -1.380 9.475 1.00 1.51 H new ATOM 0 HB3 LYS A 95 -11.665 0.141 10.343 1.00 1.51 H new ATOM 0 HG2 LYS A 95 -10.839 0.005 7.435 1.00 1.65 H new ATOM 0 HG3 LYS A 95 -12.535 0.083 7.870 1.00 1.65 H new ATOM 0 HD2 LYS A 95 -12.168 2.231 9.037 1.00 1.69 H new ATOM 0 HD3 LYS A 95 -10.450 2.145 8.703 1.00 1.69 H new ATOM 0 HE2 LYS A 95 -11.557 3.635 7.085 1.00 2.20 H new ATOM 0 HE3 LYS A 95 -10.882 2.240 6.266 1.00 2.20 H new ATOM 0 HZ1 LYS A 95 -13.007 2.615 5.386 1.00 1.90 H new ATOM 0 HZ2 LYS A 95 -13.148 1.239 6.371 1.00 1.90 H new ATOM 0 HZ3 LYS A 95 -13.725 2.739 6.919 1.00 1.90 H new ATOM 1529 N ALA A 96 -9.464 -2.648 11.301 1.00 1.50 N ATOM 1530 CA ALA A 96 -9.202 -3.363 12.556 1.00 1.57 C ATOM 1531 C ALA A 96 -7.770 -3.125 13.046 1.00 1.52 C ATOM 1532 O ALA A 96 -7.555 -2.884 14.237 1.00 1.83 O ATOM 1533 CB ALA A 96 -9.483 -4.860 12.362 1.00 1.74 C ATOM 0 H ALA A 96 -9.558 -3.267 10.496 1.00 1.50 H new ATOM 0 HA ALA A 96 -9.869 -2.976 13.326 1.00 1.57 H new ATOM 0 HB1 ALA A 96 -9.288 -5.391 13.294 1.00 1.74 H new ATOM 0 HB2 ALA A 96 -10.525 -5.000 12.075 1.00 1.74 H new ATOM 0 HB3 ALA A 96 -8.835 -5.253 11.579 1.00 1.74 H new ATOM 1539 N PHE A 97 -6.797 -3.112 12.127 1.00 1.09 N ATOM 1540 CA PHE A 97 -5.464 -2.616 12.435 1.00 0.98 C ATOM 1541 C PHE A 97 -5.495 -1.142 12.815 1.00 2.01 C ATOM 1542 O PHE A 97 -4.990 -0.795 13.887 1.00 2.34 O ATOM 1543 CB PHE A 97 -4.506 -2.933 11.285 1.00 1.01 C ATOM 1544 CG PHE A 97 -3.882 -4.275 11.556 1.00 1.13 C ATOM 1545 CD1 PHE A 97 -2.696 -4.332 12.307 1.00 1.76 C ATOM 1546 CD2 PHE A 97 -4.571 -5.454 11.232 1.00 2.30 C ATOM 1547 CE1 PHE A 97 -2.192 -5.574 12.722 1.00 1.94 C ATOM 1548 CE2 PHE A 97 -4.074 -6.694 11.661 1.00 2.16 C ATOM 1549 CZ PHE A 97 -2.880 -6.758 12.399 1.00 1.46 C ATOM 0 H PHE A 97 -6.914 -3.440 11.168 1.00 1.09 H new ATOM 0 HA PHE A 97 -5.082 -3.134 13.315 1.00 0.98 H new ATOM 0 HB2 PHE A 97 -5.041 -2.946 10.336 1.00 1.01 H new ATOM 0 HB3 PHE A 97 -3.737 -2.164 11.206 1.00 1.01 H new ATOM 0 HD1 PHE A 97 -2.174 -3.422 12.564 1.00 1.76 H new ATOM 0 HD2 PHE A 97 -5.482 -5.407 10.654 1.00 2.30 H new ATOM 0 HE1 PHE A 97 -1.275 -5.621 13.290 1.00 1.94 H new ATOM 0 HE2 PHE A 97 -4.610 -7.601 11.424 1.00 2.16 H new ATOM 0 HZ PHE A 97 -2.491 -7.714 12.718 1.00 1.46 H new ATOM 1559 N HIS A 98 -6.139 -0.290 12.014 1.00 0.91 N ATOM 1560 CA HIS A 98 -6.418 1.078 12.431 1.00 0.91 C ATOM 1561 C HIS A 98 -7.495 1.779 11.580 1.00 1.24 C ATOM 1562 O HIS A 98 -7.434 1.670 10.356 1.00 1.39 O ATOM 1563 CB HIS A 98 -5.104 1.882 12.446 1.00 1.02 C ATOM 1564 CG HIS A 98 -5.171 2.920 13.527 1.00 1.82 C ATOM 1565 ND1 HIS A 98 -5.347 4.259 13.342 1.00 2.71 N ATOM 1566 CD2 HIS A 98 -5.268 2.680 14.871 1.00 2.64 C ATOM 1567 CE1 HIS A 98 -5.536 4.825 14.541 1.00 3.59 C ATOM 1568 NE2 HIS A 98 -5.512 3.895 15.512 1.00 3.65 N ATOM 0 H HIS A 98 -6.474 -0.525 11.080 1.00 0.91 H new ATOM 0 HA HIS A 98 -6.837 1.032 13.436 1.00 0.91 H new ATOM 0 HB2 HIS A 98 -4.258 1.216 12.617 1.00 1.02 H new ATOM 0 HB3 HIS A 98 -4.944 2.358 11.478 1.00 1.02 H new ATOM 0 HD2 HIS A 98 -5.172 1.718 15.352 1.00 2.64 H new ATOM 0 HE1 HIS A 98 -5.687 5.882 14.705 1.00 3.59 H new ATOM 0 HE2 HIS A 98 -5.645 4.047 16.512 1.00 3.65 H new ATOM 1577 N PRO A 99 -8.437 2.543 12.177 1.00 0.98 N ATOM 1578 CA PRO A 99 -9.443 3.299 11.433 1.00 1.21 C ATOM 1579 C PRO A 99 -8.859 4.441 10.586 1.00 1.54 C ATOM 1580 O PRO A 99 -9.545 4.937 9.700 1.00 1.72 O ATOM 1581 CB PRO A 99 -10.439 3.815 12.476 1.00 1.40 C ATOM 1582 CG PRO A 99 -9.607 3.894 13.751 1.00 1.32 C ATOM 1583 CD PRO A 99 -8.677 2.693 13.608 1.00 1.08 C ATOM 0 HA PRO A 99 -9.923 2.652 10.699 1.00 1.21 H new ATOM 0 HB2 PRO A 99 -10.843 4.789 12.199 1.00 1.40 H new ATOM 0 HB3 PRO A 99 -11.287 3.139 12.591 1.00 1.40 H new ATOM 0 HG2 PRO A 99 -9.054 4.831 13.818 1.00 1.32 H new ATOM 0 HG3 PRO A 99 -10.226 3.825 14.645 1.00 1.32 H new ATOM 0 HD2 PRO A 99 -7.743 2.856 14.146 1.00 1.08 H new ATOM 0 HD3 PRO A 99 -9.132 1.794 14.024 1.00 1.08 H new ATOM 1591 N SER A 100 -7.596 4.829 10.806 1.00 1.36 N ATOM 1592 CA SER A 100 -6.828 5.706 9.904 1.00 1.61 C ATOM 1593 C SER A 100 -6.525 5.081 8.520 1.00 1.56 C ATOM 1594 O SER A 100 -6.077 5.798 7.622 1.00 1.69 O ATOM 1595 CB SER A 100 -5.501 6.094 10.586 1.00 1.82 C ATOM 1596 OG SER A 100 -5.692 6.706 11.849 1.00 2.90 O ATOM 0 H SER A 100 -7.068 4.539 11.629 1.00 1.36 H new ATOM 0 HA SER A 100 -7.454 6.579 9.716 1.00 1.61 H new ATOM 0 HB2 SER A 100 -4.886 5.202 10.709 1.00 1.82 H new ATOM 0 HB3 SER A 100 -4.950 6.774 9.937 1.00 1.82 H new ATOM 0 HG SER A 100 -4.850 6.692 12.350 1.00 2.90 H new ATOM 1602 N PHE A 101 -6.726 3.763 8.333 1.00 1.35 N ATOM 1603 CA PHE A 101 -6.420 3.019 7.099 1.00 1.30 C ATOM 1604 C PHE A 101 -7.690 2.773 6.254 1.00 2.02 C ATOM 1605 O PHE A 101 -8.809 2.958 6.728 1.00 2.54 O ATOM 1606 CB PHE A 101 -5.769 1.663 7.452 1.00 1.30 C ATOM 1607 CG PHE A 101 -4.417 1.618 8.161 1.00 1.65 C ATOM 1608 CD1 PHE A 101 -3.741 2.768 8.620 1.00 2.91 C ATOM 1609 CD2 PHE A 101 -3.805 0.357 8.321 1.00 1.93 C ATOM 1610 CE1 PHE A 101 -2.470 2.657 9.210 1.00 3.11 C ATOM 1611 CE2 PHE A 101 -2.525 0.245 8.893 1.00 2.08 C ATOM 1612 CZ PHE A 101 -1.851 1.402 9.321 1.00 2.33 C ATOM 0 H PHE A 101 -7.119 3.168 9.062 1.00 1.35 H new ATOM 0 HA PHE A 101 -5.730 3.622 6.510 1.00 1.30 H new ATOM 0 HB2 PHE A 101 -6.478 1.117 8.074 1.00 1.30 H new ATOM 0 HB3 PHE A 101 -5.664 1.104 6.522 1.00 1.30 H new ATOM 0 HD1 PHE A 101 -4.203 3.739 8.518 1.00 2.91 H new ATOM 0 HD2 PHE A 101 -4.326 -0.533 8.000 1.00 1.93 H new ATOM 0 HE1 PHE A 101 -1.968 3.539 9.579 1.00 3.11 H new ATOM 0 HE2 PHE A 101 -2.062 -0.725 9.003 1.00 2.08 H new ATOM 0 HZ PHE A 101 -0.857 1.325 9.735 1.00 2.33 H new ATOM 1622 N LEU A 102 -7.531 2.282 5.015 1.00 1.01 N ATOM 1623 CA LEU A 102 -8.622 1.944 4.080 1.00 0.99 C ATOM 1624 C LEU A 102 -8.337 0.649 3.298 1.00 1.13 C ATOM 1625 O LEU A 102 -7.217 0.467 2.818 1.00 1.31 O ATOM 1626 CB LEU A 102 -8.784 3.133 3.106 1.00 1.01 C ATOM 1627 CG LEU A 102 -10.037 3.086 2.208 1.00 0.92 C ATOM 1628 CD1 LEU A 102 -11.330 3.274 3.015 1.00 1.90 C ATOM 1629 CD2 LEU A 102 -9.959 4.192 1.145 1.00 1.89 C ATOM 0 H LEU A 102 -6.608 2.102 4.620 1.00 1.01 H new ATOM 0 HA LEU A 102 -9.538 1.768 4.644 1.00 0.99 H new ATOM 0 HB2 LEU A 102 -8.808 4.055 3.686 1.00 1.01 H new ATOM 0 HB3 LEU A 102 -7.902 3.181 2.468 1.00 1.01 H new ATOM 0 HG LEU A 102 -10.061 2.102 1.739 1.00 0.92 H new ATOM 0 HD11 LEU A 102 -12.187 3.234 2.343 1.00 1.90 H new ATOM 0 HD12 LEU A 102 -11.414 2.481 3.758 1.00 1.90 H new ATOM 0 HD13 LEU A 102 -11.308 4.241 3.518 1.00 1.90 H new ATOM 0 HD21 LEU A 102 -10.847 4.153 0.514 1.00 1.89 H new ATOM 0 HD22 LEU A 102 -9.904 5.164 1.635 1.00 1.89 H new ATOM 0 HD23 LEU A 102 -9.071 4.044 0.531 1.00 1.89 H new ATOM 1641 N GLY A 103 -9.350 -0.208 3.106 1.00 0.95 N ATOM 1642 CA GLY A 103 -9.265 -1.385 2.225 1.00 0.94 C ATOM 1643 C GLY A 103 -9.993 -1.194 0.890 1.00 1.03 C ATOM 1644 O GLY A 103 -11.103 -0.656 0.844 1.00 1.23 O ATOM 0 H GLY A 103 -10.258 -0.105 3.560 1.00 0.95 H new ATOM 0 HA2 GLY A 103 -8.216 -1.610 2.031 1.00 0.94 H new ATOM 0 HA3 GLY A 103 -9.686 -2.248 2.741 1.00 0.94 H new ATOM 1648 N LEU A 104 -9.380 -1.675 -0.197 1.00 0.84 N ATOM 1649 CA LEU A 104 -9.986 -1.700 -1.531 1.00 0.84 C ATOM 1650 C LEU A 104 -9.713 -3.017 -2.273 1.00 1.23 C ATOM 1651 O LEU A 104 -8.643 -3.618 -2.178 1.00 1.49 O ATOM 1652 CB LEU A 104 -9.630 -0.464 -2.401 1.00 1.01 C ATOM 1653 CG LEU A 104 -8.463 0.478 -2.024 1.00 0.89 C ATOM 1654 CD1 LEU A 104 -8.054 1.275 -3.274 1.00 0.90 C ATOM 1655 CD2 LEU A 104 -8.856 1.476 -0.926 1.00 2.15 C ATOM 0 H LEU A 104 -8.437 -2.063 -0.174 1.00 0.84 H new ATOM 0 HA LEU A 104 -11.060 -1.642 -1.357 1.00 0.84 H new ATOM 0 HB2 LEU A 104 -9.428 -0.832 -3.407 1.00 1.01 H new ATOM 0 HB3 LEU A 104 -10.528 0.151 -2.460 1.00 1.01 H new ATOM 0 HG LEU A 104 -7.645 -0.137 -1.649 1.00 0.89 H new ATOM 0 HD11 LEU A 104 -7.231 1.945 -3.025 1.00 0.90 H new ATOM 0 HD12 LEU A 104 -7.737 0.586 -4.057 1.00 0.90 H new ATOM 0 HD13 LEU A 104 -8.904 1.859 -3.627 1.00 0.90 H new ATOM 0 HD21 LEU A 104 -8.005 2.116 -0.695 1.00 2.15 H new ATOM 0 HD22 LEU A 104 -9.688 2.089 -1.273 1.00 2.15 H new ATOM 0 HD23 LEU A 104 -9.155 0.932 -0.030 1.00 2.15 H new ATOM 1667 N SER A 105 -10.717 -3.467 -3.018 1.00 0.73 N ATOM 1668 CA SER A 105 -10.638 -4.478 -4.071 1.00 0.74 C ATOM 1669 C SER A 105 -11.682 -4.138 -5.136 1.00 1.04 C ATOM 1670 O SER A 105 -12.836 -3.894 -4.784 1.00 1.19 O ATOM 1671 CB SER A 105 -10.959 -5.873 -3.538 1.00 0.76 C ATOM 1672 OG SER A 105 -10.796 -6.831 -4.576 1.00 1.01 O ATOM 0 H SER A 105 -11.667 -3.115 -2.897 1.00 0.73 H new ATOM 0 HA SER A 105 -9.624 -4.479 -4.471 1.00 0.74 H new ATOM 0 HB2 SER A 105 -10.303 -6.113 -2.702 1.00 0.76 H new ATOM 0 HB3 SER A 105 -11.981 -5.902 -3.160 1.00 0.76 H new ATOM 0 HG SER A 105 -10.640 -7.715 -4.183 1.00 1.01 H new ATOM 1678 N GLY A 106 -11.329 -4.219 -6.415 1.00 1.18 N ATOM 1679 CA GLY A 106 -12.285 -4.081 -7.510 1.00 1.20 C ATOM 1680 C GLY A 106 -12.168 -5.175 -8.548 1.00 1.04 C ATOM 1681 O GLY A 106 -11.636 -6.255 -8.276 1.00 1.17 O ATOM 0 H GLY A 106 -10.370 -4.382 -6.723 1.00 1.18 H new ATOM 0 HA2 GLY A 106 -13.296 -4.083 -7.103 1.00 1.20 H new ATOM 0 HA3 GLY A 106 -12.137 -3.115 -7.992 1.00 1.20 H new ATOM 1685 N SER A 107 -12.651 -4.864 -9.742 1.00 0.81 N ATOM 1686 CA SER A 107 -12.357 -5.597 -10.973 1.00 0.88 C ATOM 1687 C SER A 107 -10.850 -5.945 -11.077 1.00 1.12 C ATOM 1688 O SER A 107 -10.002 -5.076 -10.831 1.00 1.12 O ATOM 1689 CB SER A 107 -12.850 -4.763 -12.173 1.00 1.05 C ATOM 1690 OG SER A 107 -11.961 -4.749 -13.273 1.00 2.16 O ATOM 0 H SER A 107 -13.277 -4.072 -9.889 1.00 0.81 H new ATOM 0 HA SER A 107 -12.884 -6.551 -10.969 1.00 0.88 H new ATOM 0 HB2 SER A 107 -13.812 -5.155 -12.503 1.00 1.05 H new ATOM 0 HB3 SER A 107 -13.019 -3.738 -11.844 1.00 1.05 H new ATOM 0 HG SER A 107 -12.184 -5.483 -13.883 1.00 2.16 H new ATOM 1696 N PRO A 108 -10.486 -7.186 -11.471 1.00 1.20 N ATOM 1697 CA PRO A 108 -9.088 -7.577 -11.634 1.00 1.41 C ATOM 1698 C PRO A 108 -8.376 -6.794 -12.750 1.00 1.44 C ATOM 1699 O PRO A 108 -7.155 -6.681 -12.711 1.00 1.29 O ATOM 1700 CB PRO A 108 -9.096 -9.090 -11.882 1.00 1.76 C ATOM 1701 CG PRO A 108 -10.493 -9.368 -12.429 1.00 1.77 C ATOM 1702 CD PRO A 108 -11.364 -8.314 -11.751 1.00 1.42 C ATOM 0 HA PRO A 108 -8.513 -7.335 -10.740 1.00 1.41 H new ATOM 0 HB2 PRO A 108 -8.324 -9.382 -12.594 1.00 1.76 H new ATOM 0 HB3 PRO A 108 -8.909 -9.646 -10.963 1.00 1.76 H new ATOM 0 HG2 PRO A 108 -10.524 -9.275 -13.515 1.00 1.77 H new ATOM 0 HG3 PRO A 108 -10.824 -10.378 -12.186 1.00 1.77 H new ATOM 0 HD2 PRO A 108 -12.189 -8.015 -12.398 1.00 1.42 H new ATOM 0 HD3 PRO A 108 -11.804 -8.703 -10.833 1.00 1.42 H new ATOM 1710 N GLU A 109 -9.119 -6.221 -13.702 1.00 1.14 N ATOM 1711 CA GLU A 109 -8.655 -5.265 -14.711 1.00 1.07 C ATOM 1712 C GLU A 109 -8.344 -3.896 -14.075 1.00 1.10 C ATOM 1713 O GLU A 109 -7.281 -3.323 -14.317 1.00 1.28 O ATOM 1714 CB GLU A 109 -9.712 -5.094 -15.824 1.00 1.26 C ATOM 1715 CG GLU A 109 -10.194 -6.387 -16.512 1.00 1.72 C ATOM 1716 CD GLU A 109 -11.022 -7.333 -15.629 1.00 2.64 C ATOM 1717 OE1 GLU A 109 -11.647 -6.859 -14.642 1.00 3.39 O ATOM 1718 OE2 GLU A 109 -10.966 -8.549 -15.905 1.00 3.48 O ATOM 0 H GLU A 109 -10.115 -6.423 -13.794 1.00 1.14 H new ATOM 0 HA GLU A 109 -7.739 -5.662 -15.147 1.00 1.07 H new ATOM 0 HB2 GLU A 109 -10.579 -4.589 -15.398 1.00 1.26 H new ATOM 0 HB3 GLU A 109 -9.302 -4.433 -16.587 1.00 1.26 H new ATOM 0 HG2 GLU A 109 -10.791 -6.115 -17.383 1.00 1.72 H new ATOM 0 HG3 GLU A 109 -9.323 -6.930 -16.879 1.00 1.72 H new ATOM 1725 N ALA A 110 -9.228 -3.385 -13.210 1.00 0.71 N ATOM 1726 CA ALA A 110 -8.994 -2.161 -12.432 1.00 0.61 C ATOM 1727 C ALA A 110 -7.787 -2.319 -11.487 1.00 0.82 C ATOM 1728 O ALA A 110 -6.859 -1.504 -11.512 1.00 0.87 O ATOM 1729 CB ALA A 110 -10.295 -1.815 -11.691 1.00 0.63 C ATOM 0 H ALA A 110 -10.136 -3.814 -13.028 1.00 0.71 H new ATOM 0 HA ALA A 110 -8.734 -1.333 -13.091 1.00 0.61 H new ATOM 0 HB1 ALA A 110 -10.149 -0.908 -11.104 1.00 0.63 H new ATOM 0 HB2 ALA A 110 -11.094 -1.654 -12.415 1.00 0.63 H new ATOM 0 HB3 ALA A 110 -10.566 -2.637 -11.028 1.00 0.63 H new ATOM 1735 N VAL A 111 -7.741 -3.434 -10.748 1.00 0.69 N ATOM 1736 CA VAL A 111 -6.566 -3.873 -9.963 1.00 0.74 C ATOM 1737 C VAL A 111 -5.311 -3.906 -10.847 1.00 1.10 C ATOM 1738 O VAL A 111 -4.253 -3.433 -10.421 1.00 1.01 O ATOM 1739 CB VAL A 111 -6.804 -5.260 -9.312 1.00 0.79 C ATOM 1740 CG1 VAL A 111 -5.531 -5.864 -8.687 1.00 1.20 C ATOM 1741 CG2 VAL A 111 -7.877 -5.192 -8.213 1.00 1.25 C ATOM 0 H VAL A 111 -8.532 -4.074 -10.673 1.00 0.69 H new ATOM 0 HA VAL A 111 -6.414 -3.150 -9.162 1.00 0.74 H new ATOM 0 HB VAL A 111 -7.133 -5.900 -10.131 1.00 0.79 H new ATOM 0 HG11 VAL A 111 -5.766 -6.834 -8.249 1.00 1.20 H new ATOM 0 HG12 VAL A 111 -4.771 -5.989 -9.458 1.00 1.20 H new ATOM 0 HG13 VAL A 111 -5.155 -5.197 -7.911 1.00 1.20 H new ATOM 0 HG21 VAL A 111 -8.017 -6.182 -7.779 1.00 1.25 H new ATOM 0 HG22 VAL A 111 -7.558 -4.497 -7.436 1.00 1.25 H new ATOM 0 HG23 VAL A 111 -8.817 -4.848 -8.644 1.00 1.25 H new ATOM 1751 N ARG A 112 -5.421 -4.425 -12.081 1.00 0.72 N ATOM 1752 CA ARG A 112 -4.304 -4.479 -13.028 1.00 0.73 C ATOM 1753 C ARG A 112 -3.777 -3.082 -13.368 1.00 1.05 C ATOM 1754 O ARG A 112 -2.558 -2.911 -13.353 1.00 1.19 O ATOM 1755 CB ARG A 112 -4.657 -5.283 -14.281 1.00 0.81 C ATOM 1756 CG ARG A 112 -3.418 -5.393 -15.170 1.00 1.47 C ATOM 1757 CD ARG A 112 -3.630 -6.418 -16.272 1.00 1.87 C ATOM 1758 NE ARG A 112 -2.418 -6.501 -17.105 1.00 2.81 N ATOM 1759 CZ ARG A 112 -1.714 -7.576 -17.419 1.00 3.91 C ATOM 1760 NH1 ARG A 112 -2.170 -8.797 -17.222 1.00 4.54 N ATOM 1761 NH2 ARG A 112 -0.522 -7.395 -17.937 1.00 5.06 N ATOM 0 H ARG A 112 -6.288 -4.818 -12.447 1.00 0.72 H new ATOM 0 HA ARG A 112 -3.491 -5.010 -12.533 1.00 0.73 H new ATOM 0 HB2 ARG A 112 -5.010 -6.276 -14.003 1.00 0.81 H new ATOM 0 HB3 ARG A 112 -5.467 -4.797 -14.824 1.00 0.81 H new ATOM 0 HG2 ARG A 112 -3.194 -4.421 -15.610 1.00 1.47 H new ATOM 0 HG3 ARG A 112 -2.556 -5.676 -14.566 1.00 1.47 H new ATOM 0 HD2 ARG A 112 -3.854 -7.393 -15.839 1.00 1.87 H new ATOM 0 HD3 ARG A 112 -4.487 -6.137 -16.885 1.00 1.87 H new ATOM 0 HE ARG A 112 -2.079 -5.618 -17.488 1.00 2.81 H new ATOM 0 HH11 ARG A 112 -3.095 -8.937 -16.815 1.00 4.54 H new ATOM 0 HH12 ARG A 112 -1.598 -9.602 -17.477 1.00 4.54 H new ATOM 0 HH21 ARG A 112 -0.168 -6.450 -18.085 1.00 5.06 H new ATOM 0 HH22 ARG A 112 0.051 -8.200 -18.192 1.00 5.06 H new ATOM 1775 N GLU A 113 -4.620 -2.078 -13.611 1.00 0.68 N ATOM 1776 CA GLU A 113 -4.125 -0.728 -13.916 1.00 0.74 C ATOM 1777 C GLU A 113 -3.317 -0.115 -12.771 1.00 1.08 C ATOM 1778 O GLU A 113 -2.245 0.445 -13.009 1.00 1.13 O ATOM 1779 CB GLU A 113 -5.238 0.202 -14.373 1.00 0.91 C ATOM 1780 CG GLU A 113 -5.873 -0.261 -15.689 1.00 1.20 C ATOM 1781 CD GLU A 113 -4.881 -0.542 -16.832 1.00 2.30 C ATOM 1782 OE1 GLU A 113 -4.179 -1.585 -16.772 1.00 3.50 O ATOM 1783 OE2 GLU A 113 -4.823 0.283 -17.767 1.00 2.75 O ATOM 0 H GLU A 113 -5.636 -2.167 -13.604 1.00 0.68 H new ATOM 0 HA GLU A 113 -3.436 -0.848 -14.752 1.00 0.74 H new ATOM 0 HB2 GLU A 113 -6.005 0.256 -13.600 1.00 0.91 H new ATOM 0 HB3 GLU A 113 -4.840 1.209 -14.498 1.00 0.91 H new ATOM 0 HG2 GLU A 113 -6.448 -1.167 -15.497 1.00 1.20 H new ATOM 0 HG3 GLU A 113 -6.579 0.500 -16.021 1.00 1.20 H new ATOM 1790 N ALA A 114 -3.768 -0.285 -11.523 1.00 0.61 N ATOM 1791 CA ALA A 114 -3.020 0.177 -10.350 1.00 0.61 C ATOM 1792 C ALA A 114 -1.637 -0.487 -10.242 1.00 0.91 C ATOM 1793 O ALA A 114 -0.633 0.184 -10.007 1.00 1.02 O ATOM 1794 CB ALA A 114 -3.880 -0.084 -9.108 1.00 0.64 C ATOM 0 H ALA A 114 -4.652 -0.742 -11.300 1.00 0.61 H new ATOM 0 HA ALA A 114 -2.820 1.244 -10.443 1.00 0.61 H new ATOM 0 HB1 ALA A 114 -3.346 0.251 -8.219 1.00 0.64 H new ATOM 0 HB2 ALA A 114 -4.819 0.462 -9.195 1.00 0.64 H new ATOM 0 HB3 ALA A 114 -4.087 -1.151 -9.026 1.00 0.64 H new ATOM 1800 N ALA A 115 -1.577 -1.805 -10.457 1.00 0.65 N ATOM 1801 CA ALA A 115 -0.349 -2.592 -10.437 1.00 0.67 C ATOM 1802 C ALA A 115 0.618 -2.170 -11.555 1.00 0.88 C ATOM 1803 O ALA A 115 1.775 -1.843 -11.276 1.00 0.98 O ATOM 1804 CB ALA A 115 -0.749 -4.067 -10.557 1.00 0.72 C ATOM 0 H ALA A 115 -2.406 -2.365 -10.655 1.00 0.65 H new ATOM 0 HA ALA A 115 0.190 -2.423 -9.505 1.00 0.67 H new ATOM 0 HB1 ALA A 115 0.146 -4.689 -10.546 1.00 0.72 H new ATOM 0 HB2 ALA A 115 -1.391 -4.339 -9.719 1.00 0.72 H new ATOM 0 HB3 ALA A 115 -1.287 -4.223 -11.492 1.00 0.72 H new ATOM 1810 N GLN A 116 0.136 -2.137 -12.803 1.00 0.64 N ATOM 1811 CA GLN A 116 0.919 -1.766 -13.984 1.00 0.68 C ATOM 1812 C GLN A 116 1.483 -0.344 -13.861 1.00 1.12 C ATOM 1813 O GLN A 116 2.642 -0.131 -14.219 1.00 1.23 O ATOM 1814 CB GLN A 116 0.075 -1.911 -15.272 1.00 0.78 C ATOM 1815 CG GLN A 116 -0.195 -3.386 -15.626 1.00 1.28 C ATOM 1816 CD GLN A 116 -0.820 -3.639 -17.005 1.00 1.87 C ATOM 1817 OE1 GLN A 116 -0.399 -4.548 -17.714 1.00 2.10 O ATOM 1818 NE2 GLN A 116 -1.874 -2.975 -17.437 1.00 3.18 N ATOM 0 H GLN A 116 -0.832 -2.373 -13.023 1.00 0.64 H new ATOM 0 HA GLN A 116 1.763 -2.452 -14.048 1.00 0.68 H new ATOM 0 HB2 GLN A 116 -0.874 -1.390 -15.144 1.00 0.78 H new ATOM 0 HB3 GLN A 116 0.594 -1.429 -16.101 1.00 0.78 H new ATOM 0 HG2 GLN A 116 0.747 -3.932 -15.569 1.00 1.28 H new ATOM 0 HG3 GLN A 116 -0.854 -3.807 -14.867 1.00 1.28 H new ATOM 0 HE21 GLN A 116 -2.259 -2.211 -16.881 1.00 3.18 H new ATOM 0 HE22 GLN A 116 -2.305 -3.225 -18.327 1.00 3.18 H new ATOM 1827 N THR A 117 0.702 0.598 -13.316 1.00 0.64 N ATOM 1828 CA THR A 117 1.099 2.008 -13.182 1.00 0.70 C ATOM 1829 C THR A 117 2.168 2.219 -12.112 1.00 0.99 C ATOM 1830 O THR A 117 3.081 3.020 -12.315 1.00 0.94 O ATOM 1831 CB THR A 117 -0.137 2.883 -12.940 1.00 0.84 C ATOM 1832 OG1 THR A 117 -1.017 2.686 -14.016 1.00 1.16 O ATOM 1833 CG2 THR A 117 0.208 4.370 -12.905 1.00 1.10 C ATOM 0 H THR A 117 -0.231 0.403 -12.952 1.00 0.64 H new ATOM 0 HA THR A 117 1.559 2.314 -14.122 1.00 0.70 H new ATOM 0 HB THR A 117 -0.569 2.603 -11.979 1.00 0.84 H new ATOM 0 HG1 THR A 117 -1.559 1.886 -13.853 1.00 1.16 H new ATOM 0 HG21 THR A 117 -0.698 4.950 -12.731 1.00 1.10 H new ATOM 0 HG22 THR A 117 0.920 4.560 -12.101 1.00 1.10 H new ATOM 0 HG23 THR A 117 0.649 4.664 -13.857 1.00 1.10 H new ATOM 1841 N PHE A 118 2.073 1.538 -10.968 1.00 0.69 N ATOM 1842 CA PHE A 118 3.083 1.582 -9.900 1.00 0.83 C ATOM 1843 C PHE A 118 4.371 0.792 -10.215 1.00 1.76 C ATOM 1844 O PHE A 118 5.455 1.225 -9.824 1.00 2.12 O ATOM 1845 CB PHE A 118 2.437 1.120 -8.581 1.00 0.82 C ATOM 1846 CG PHE A 118 1.770 2.231 -7.786 1.00 0.97 C ATOM 1847 CD1 PHE A 118 0.794 3.067 -8.367 1.00 1.98 C ATOM 1848 CD2 PHE A 118 2.155 2.451 -6.451 1.00 2.15 C ATOM 1849 CE1 PHE A 118 0.240 4.126 -7.631 1.00 1.80 C ATOM 1850 CE2 PHE A 118 1.598 3.507 -5.712 1.00 2.38 C ATOM 1851 CZ PHE A 118 0.642 4.347 -6.301 1.00 1.25 C ATOM 0 H PHE A 118 1.283 0.931 -10.751 1.00 0.69 H new ATOM 0 HA PHE A 118 3.417 2.616 -9.810 1.00 0.83 H new ATOM 0 HB2 PHE A 118 1.695 0.353 -8.803 1.00 0.82 H new ATOM 0 HB3 PHE A 118 3.202 0.654 -7.960 1.00 0.82 H new ATOM 0 HD1 PHE A 118 0.471 2.892 -9.383 1.00 1.98 H new ATOM 0 HD2 PHE A 118 2.885 1.802 -5.991 1.00 2.15 H new ATOM 0 HE1 PHE A 118 -0.496 4.772 -8.086 1.00 1.80 H new ATOM 0 HE2 PHE A 118 1.906 3.672 -4.690 1.00 2.38 H new ATOM 0 HZ PHE A 118 0.215 5.162 -5.735 1.00 1.25 H new ATOM 1861 N GLY A 119 4.251 -0.348 -10.916 1.00 0.90 N ATOM 1862 CA GLY A 119 5.342 -1.301 -11.208 1.00 1.02 C ATOM 1863 C GLY A 119 5.213 -2.657 -10.504 1.00 1.07 C ATOM 1864 O GLY A 119 6.214 -3.335 -10.301 1.00 1.24 O ATOM 0 H GLY A 119 3.359 -0.645 -11.311 1.00 0.90 H new ATOM 0 HA2 GLY A 119 5.382 -1.468 -12.284 1.00 1.02 H new ATOM 0 HA3 GLY A 119 6.290 -0.846 -10.921 1.00 1.02 H new ATOM 1868 N VAL A 120 4.000 -3.046 -10.116 1.00 0.78 N ATOM 1869 CA VAL A 120 3.677 -4.260 -9.351 1.00 0.82 C ATOM 1870 C VAL A 120 3.253 -5.381 -10.307 1.00 0.94 C ATOM 1871 O VAL A 120 2.629 -5.114 -11.337 1.00 1.09 O ATOM 1872 CB VAL A 120 2.545 -4.000 -8.325 1.00 0.86 C ATOM 1873 CG1 VAL A 120 2.589 -5.010 -7.171 1.00 1.59 C ATOM 1874 CG2 VAL A 120 2.576 -2.569 -7.759 1.00 1.66 C ATOM 0 H VAL A 120 3.169 -2.497 -10.336 1.00 0.78 H new ATOM 0 HA VAL A 120 4.572 -4.558 -8.804 1.00 0.82 H new ATOM 0 HB VAL A 120 1.611 -4.124 -8.874 1.00 0.86 H new ATOM 0 HG11 VAL A 120 1.781 -4.798 -6.471 1.00 1.59 H new ATOM 0 HG12 VAL A 120 2.471 -6.019 -7.566 1.00 1.59 H new ATOM 0 HG13 VAL A 120 3.546 -4.932 -6.655 1.00 1.59 H new ATOM 0 HG21 VAL A 120 1.762 -2.442 -7.046 1.00 1.66 H new ATOM 0 HG22 VAL A 120 3.528 -2.397 -7.257 1.00 1.66 H new ATOM 0 HG23 VAL A 120 2.460 -1.853 -8.573 1.00 1.66 H new ATOM 1884 N PHE A 121 3.556 -6.636 -9.953 1.00 0.94 N ATOM 1885 CA PHE A 121 3.286 -7.800 -10.797 1.00 0.95 C ATOM 1886 C PHE A 121 2.892 -9.051 -9.996 1.00 1.61 C ATOM 1887 O PHE A 121 3.288 -9.253 -8.845 1.00 1.66 O ATOM 1888 CB PHE A 121 4.477 -8.044 -11.742 1.00 0.98 C ATOM 1889 CG PHE A 121 5.828 -8.199 -11.066 1.00 1.04 C ATOM 1890 CD1 PHE A 121 6.611 -7.060 -10.778 1.00 2.11 C ATOM 1891 CD2 PHE A 121 6.309 -9.480 -10.733 1.00 1.96 C ATOM 1892 CE1 PHE A 121 7.863 -7.208 -10.154 1.00 2.12 C ATOM 1893 CE2 PHE A 121 7.562 -9.626 -10.113 1.00 1.80 C ATOM 1894 CZ PHE A 121 8.339 -8.492 -9.823 1.00 1.14 C ATOM 0 H PHE A 121 3.999 -6.871 -9.065 1.00 0.94 H new ATOM 0 HA PHE A 121 2.408 -7.579 -11.403 1.00 0.95 H new ATOM 0 HB2 PHE A 121 4.277 -8.943 -12.325 1.00 0.98 H new ATOM 0 HB3 PHE A 121 4.536 -7.214 -12.446 1.00 0.98 H new ATOM 0 HD1 PHE A 121 6.249 -6.076 -11.037 1.00 2.11 H new ATOM 0 HD2 PHE A 121 5.713 -10.353 -10.955 1.00 1.96 H new ATOM 0 HE1 PHE A 121 8.460 -6.337 -9.928 1.00 2.12 H new ATOM 0 HE2 PHE A 121 7.928 -10.610 -9.859 1.00 1.80 H new ATOM 0 HZ PHE A 121 9.301 -8.605 -9.346 1.00 1.14 H new ATOM 1904 N TYR A 122 2.027 -9.857 -10.609 1.00 0.87 N ATOM 1905 CA TYR A 122 1.480 -11.101 -10.062 1.00 0.85 C ATOM 1906 C TYR A 122 1.249 -12.135 -11.175 1.00 1.21 C ATOM 1907 O TYR A 122 0.932 -11.754 -12.305 1.00 1.28 O ATOM 1908 CB TYR A 122 0.199 -10.804 -9.259 1.00 0.87 C ATOM 1909 CG TYR A 122 -0.901 -10.033 -9.972 1.00 0.94 C ATOM 1910 CD1 TYR A 122 -0.829 -8.630 -10.075 1.00 2.21 C ATOM 1911 CD2 TYR A 122 -2.029 -10.710 -10.479 1.00 1.68 C ATOM 1912 CE1 TYR A 122 -1.864 -7.906 -10.693 1.00 2.41 C ATOM 1913 CE2 TYR A 122 -3.078 -9.990 -11.087 1.00 1.68 C ATOM 1914 CZ TYR A 122 -3.000 -8.582 -11.194 1.00 1.40 C ATOM 1915 OH TYR A 122 -4.004 -7.874 -11.775 1.00 1.77 O ATOM 0 H TYR A 122 1.671 -9.653 -11.543 1.00 0.87 H new ATOM 0 HA TYR A 122 2.204 -11.540 -9.376 1.00 0.85 H new ATOM 0 HB2 TYR A 122 -0.217 -11.753 -8.922 1.00 0.87 H new ATOM 0 HB3 TYR A 122 0.481 -10.245 -8.367 1.00 0.87 H new ATOM 0 HD1 TYR A 122 0.027 -8.107 -9.676 1.00 2.21 H new ATOM 0 HD2 TYR A 122 -2.090 -11.785 -10.401 1.00 1.68 H new ATOM 0 HE1 TYR A 122 -1.791 -6.832 -10.785 1.00 2.41 H new ATOM 0 HE2 TYR A 122 -3.941 -10.514 -11.471 1.00 1.68 H new ATOM 0 HH TYR A 122 -4.710 -8.487 -12.067 1.00 1.77 H new ATOM 1925 N GLN A 123 1.397 -13.429 -10.887 1.00 0.90 N ATOM 1926 CA GLN A 123 1.310 -14.474 -11.911 1.00 1.14 C ATOM 1927 C GLN A 123 0.627 -15.730 -11.366 1.00 1.28 C ATOM 1928 O GLN A 123 1.084 -16.297 -10.380 1.00 1.74 O ATOM 1929 CB GLN A 123 2.733 -14.736 -12.442 1.00 1.44 C ATOM 1930 CG GLN A 123 2.780 -15.607 -13.709 1.00 1.98 C ATOM 1931 CD GLN A 123 3.761 -15.052 -14.747 1.00 2.52 C ATOM 1932 OE1 GLN A 123 3.376 -14.608 -15.817 1.00 3.05 O ATOM 1933 NE2 GLN A 123 5.051 -14.988 -14.480 1.00 3.27 N ATOM 0 H GLN A 123 1.579 -13.781 -9.947 1.00 0.90 H new ATOM 0 HA GLN A 123 0.683 -14.149 -12.741 1.00 1.14 H new ATOM 0 HB2 GLN A 123 3.212 -13.780 -12.653 1.00 1.44 H new ATOM 0 HB3 GLN A 123 3.318 -15.220 -11.660 1.00 1.44 H new ATOM 0 HG2 GLN A 123 3.071 -16.623 -13.441 1.00 1.98 H new ATOM 0 HG3 GLN A 123 1.783 -15.666 -14.146 1.00 1.98 H new ATOM 0 HE21 GLN A 123 5.407 -15.350 -13.595 1.00 3.27 H new ATOM 0 HE22 GLN A 123 5.692 -14.577 -15.158 1.00 3.27 H new ATOM 1942 N LYS A 124 -0.425 -16.223 -12.032 1.00 1.13 N ATOM 1943 CA LYS A 124 -1.075 -17.493 -11.671 1.00 1.24 C ATOM 1944 C LYS A 124 -0.492 -18.635 -12.518 1.00 1.64 C ATOM 1945 O LYS A 124 -0.247 -18.474 -13.712 1.00 2.17 O ATOM 1946 CB LYS A 124 -2.612 -17.396 -11.823 1.00 1.55 C ATOM 1947 CG LYS A 124 -3.251 -16.712 -10.602 1.00 1.78 C ATOM 1948 CD LYS A 124 -4.777 -16.875 -10.493 1.00 1.85 C ATOM 1949 CE LYS A 124 -5.265 -16.485 -9.086 1.00 2.95 C ATOM 1950 NZ LYS A 124 -5.699 -15.073 -8.953 1.00 3.71 N ATOM 0 H LYS A 124 -0.849 -15.756 -12.833 1.00 1.13 H new ATOM 0 HA LYS A 124 -0.873 -17.707 -10.621 1.00 1.24 H new ATOM 0 HB2 LYS A 124 -2.856 -16.836 -12.726 1.00 1.55 H new ATOM 0 HB3 LYS A 124 -3.032 -18.395 -11.944 1.00 1.55 H new ATOM 0 HG2 LYS A 124 -2.792 -17.112 -9.698 1.00 1.78 H new ATOM 0 HG3 LYS A 124 -3.015 -15.648 -10.635 1.00 1.78 H new ATOM 0 HD2 LYS A 124 -5.269 -16.252 -11.240 1.00 1.85 H new ATOM 0 HD3 LYS A 124 -5.054 -17.907 -10.707 1.00 1.85 H new ATOM 0 HE2 LYS A 124 -6.096 -17.134 -8.811 1.00 2.95 H new ATOM 0 HE3 LYS A 124 -4.463 -16.674 -8.372 1.00 2.95 H new ATOM 0 HZ1 LYS A 124 -5.449 -14.721 -8.007 1.00 3.71 H new ATOM 0 HZ2 LYS A 124 -5.224 -14.494 -9.675 1.00 3.71 H new ATOM 0 HZ3 LYS A 124 -6.729 -15.013 -9.084 1.00 3.71 H new ATOM 2120 N VAL A 135 -0.327 -19.086 -7.100 1.00 1.79 N ATOM 2121 CA VAL A 135 -0.261 -17.671 -7.469 1.00 1.48 C ATOM 2122 C VAL A 135 0.935 -16.999 -6.798 1.00 1.60 C ATOM 2123 O VAL A 135 1.197 -17.236 -5.619 1.00 1.61 O ATOM 2124 CB VAL A 135 -1.588 -16.940 -7.158 1.00 1.62 C ATOM 2125 CG1 VAL A 135 -1.952 -16.891 -5.665 1.00 2.17 C ATOM 2126 CG2 VAL A 135 -1.586 -15.547 -7.804 1.00 2.13 C ATOM 0 HA VAL A 135 -0.116 -17.606 -8.547 1.00 1.48 H new ATOM 0 HB VAL A 135 -2.384 -17.536 -7.604 1.00 1.62 H new ATOM 0 HG11 VAL A 135 -2.896 -16.361 -5.538 1.00 2.17 H new ATOM 0 HG12 VAL A 135 -2.051 -17.906 -5.281 1.00 2.17 H new ATOM 0 HG13 VAL A 135 -1.167 -16.371 -5.116 1.00 2.17 H new ATOM 0 HG21 VAL A 135 -2.525 -15.040 -7.579 1.00 2.13 H new ATOM 0 HG22 VAL A 135 -0.755 -14.964 -7.408 1.00 2.13 H new ATOM 0 HG23 VAL A 135 -1.477 -15.647 -8.884 1.00 2.13 H new ATOM 2136 N ASP A 136 1.649 -16.182 -7.570 1.00 1.05 N ATOM 2137 CA ASP A 136 2.732 -15.305 -7.123 1.00 0.94 C ATOM 2138 C ASP A 136 2.266 -13.841 -7.069 1.00 1.01 C ATOM 2139 O ASP A 136 1.540 -13.382 -7.953 1.00 1.22 O ATOM 2140 CB ASP A 136 3.931 -15.456 -8.074 1.00 1.38 C ATOM 2141 CG ASP A 136 5.088 -14.540 -7.667 1.00 3.17 C ATOM 2142 OD1 ASP A 136 5.326 -14.435 -6.443 1.00 4.42 O ATOM 2143 OD2 ASP A 136 5.682 -13.914 -8.574 1.00 4.10 O ATOM 0 H ASP A 136 1.481 -16.109 -8.573 1.00 1.05 H new ATOM 0 HA ASP A 136 3.031 -15.594 -6.115 1.00 0.94 H new ATOM 0 HB2 ASP A 136 4.269 -16.492 -8.074 1.00 1.38 H new ATOM 0 HB3 ASP A 136 3.621 -15.222 -9.092 1.00 1.38 H new ATOM 2148 N HIS A 137 2.694 -13.093 -6.046 1.00 0.76 N ATOM 2149 CA HIS A 137 2.302 -11.697 -5.820 1.00 0.91 C ATOM 2150 C HIS A 137 3.450 -10.829 -5.262 1.00 1.14 C ATOM 2151 O HIS A 137 3.988 -11.114 -4.189 1.00 1.34 O ATOM 2152 CB HIS A 137 1.119 -11.648 -4.838 1.00 1.30 C ATOM 2153 CG HIS A 137 -0.162 -12.296 -5.304 1.00 2.18 C ATOM 2154 ND1 HIS A 137 -1.012 -11.833 -6.282 1.00 3.97 N ATOM 2155 CD2 HIS A 137 -0.777 -13.376 -4.725 1.00 2.92 C ATOM 2156 CE1 HIS A 137 -2.114 -12.604 -6.276 1.00 5.44 C ATOM 2157 NE2 HIS A 137 -2.029 -13.541 -5.322 1.00 4.69 N ATOM 0 H HIS A 137 3.336 -13.448 -5.337 1.00 0.76 H new ATOM 0 HA HIS A 137 2.024 -11.287 -6.791 1.00 0.91 H new ATOM 0 HB2 HIS A 137 1.426 -12.126 -3.908 1.00 1.30 H new ATOM 0 HB3 HIS A 137 0.910 -10.604 -4.606 1.00 1.30 H new ATOM 0 HD2 HIS A 137 -0.364 -13.994 -3.941 1.00 2.92 H new ATOM 0 HE1 HIS A 137 -2.952 -12.484 -6.947 1.00 5.44 H new ATOM 0 HE2 HIS A 137 -2.736 -14.235 -5.080 1.00 4.69 H new ATOM 2166 N THR A 138 3.754 -9.699 -5.920 1.00 0.85 N ATOM 2167 CA THR A 138 4.740 -8.701 -5.456 1.00 0.89 C ATOM 2168 C THR A 138 4.218 -7.960 -4.221 1.00 1.32 C ATOM 2169 O THR A 138 3.622 -6.891 -4.330 1.00 2.01 O ATOM 2170 CB THR A 138 5.105 -7.735 -6.594 1.00 0.86 C ATOM 2171 OG1 THR A 138 5.607 -8.471 -7.674 1.00 1.46 O ATOM 2172 CG2 THR A 138 6.200 -6.735 -6.221 1.00 1.11 C ATOM 0 H THR A 138 3.316 -9.446 -6.805 1.00 0.85 H new ATOM 0 HA THR A 138 5.653 -9.219 -5.162 1.00 0.89 H new ATOM 0 HB THR A 138 4.191 -7.189 -6.827 1.00 0.86 H new ATOM 0 HG1 THR A 138 4.863 -8.800 -8.220 1.00 1.46 H new ATOM 0 HG21 THR A 138 6.405 -6.086 -7.072 1.00 1.11 H new ATOM 0 HG22 THR A 138 5.869 -6.131 -5.376 1.00 1.11 H new ATOM 0 HG23 THR A 138 7.107 -7.274 -5.949 1.00 1.11 H new ATOM 2180 N ALA A 139 4.464 -8.521 -3.032 1.00 0.91 N ATOM 2181 CA ALA A 139 4.018 -8.033 -1.715 1.00 1.02 C ATOM 2182 C ALA A 139 4.769 -6.771 -1.209 1.00 1.16 C ATOM 2183 O ALA A 139 5.287 -6.733 -0.090 1.00 1.74 O ATOM 2184 CB ALA A 139 4.088 -9.213 -0.730 1.00 1.32 C ATOM 0 H ALA A 139 5.011 -9.378 -2.955 1.00 0.91 H new ATOM 0 HA ALA A 139 2.991 -7.680 -1.804 1.00 1.02 H new ATOM 0 HB1 ALA A 139 3.763 -8.883 0.257 1.00 1.32 H new ATOM 0 HB2 ALA A 139 3.437 -10.016 -1.077 1.00 1.32 H new ATOM 0 HB3 ALA A 139 5.114 -9.578 -0.671 1.00 1.32 H new ATOM 2190 N THR A 140 4.888 -5.749 -2.067 1.00 0.80 N ATOM 2191 CA THR A 140 5.740 -4.566 -1.843 1.00 0.87 C ATOM 2192 C THR A 140 4.916 -3.330 -1.471 1.00 0.89 C ATOM 2193 O THR A 140 3.697 -3.280 -1.652 1.00 1.15 O ATOM 2194 CB THR A 140 6.671 -4.370 -3.052 1.00 1.06 C ATOM 2195 OG1 THR A 140 7.523 -5.494 -3.044 1.00 1.59 O ATOM 2196 CG2 THR A 140 7.592 -3.152 -3.016 1.00 1.16 C ATOM 0 H THR A 140 4.386 -5.718 -2.955 1.00 0.80 H new ATOM 0 HA THR A 140 6.378 -4.732 -0.975 1.00 0.87 H new ATOM 0 HB THR A 140 6.029 -4.235 -3.922 1.00 1.06 H new ATOM 0 HG1 THR A 140 8.148 -5.436 -3.796 1.00 1.59 H new ATOM 0 HG21 THR A 140 8.196 -3.126 -3.923 1.00 1.16 H new ATOM 0 HG22 THR A 140 6.992 -2.244 -2.954 1.00 1.16 H new ATOM 0 HG23 THR A 140 8.246 -3.216 -2.146 1.00 1.16 H new ATOM 2204 N THR A 141 5.618 -2.356 -0.886 1.00 0.62 N ATOM 2205 CA THR A 141 5.126 -1.070 -0.396 1.00 0.59 C ATOM 2206 C THR A 141 5.730 0.083 -1.191 1.00 0.91 C ATOM 2207 O THR A 141 6.901 0.065 -1.566 1.00 0.99 O ATOM 2208 CB THR A 141 5.410 -0.903 1.104 1.00 0.66 C ATOM 2209 OG1 THR A 141 6.521 -1.680 1.514 1.00 1.58 O ATOM 2210 CG2 THR A 141 4.213 -1.361 1.934 1.00 1.67 C ATOM 0 H THR A 141 6.621 -2.456 -0.732 1.00 0.62 H new ATOM 0 HA THR A 141 4.045 -1.052 -0.538 1.00 0.59 H new ATOM 0 HB THR A 141 5.614 0.156 1.263 1.00 0.66 H new ATOM 0 HG1 THR A 141 6.675 -1.549 2.473 1.00 1.58 H new ATOM 0 HG21 THR A 141 4.435 -1.234 2.994 1.00 1.67 H new ATOM 0 HG22 THR A 141 3.339 -0.764 1.673 1.00 1.67 H new ATOM 0 HG23 THR A 141 4.009 -2.412 1.729 1.00 1.67 H new ATOM 2218 N PHE A 142 4.901 1.096 -1.442 1.00 0.71 N ATOM 2219 CA PHE A 142 5.158 2.198 -2.376 1.00 0.68 C ATOM 2220 C PHE A 142 4.624 3.518 -1.798 1.00 1.79 C ATOM 2221 O PHE A 142 3.516 3.524 -1.262 1.00 2.11 O ATOM 2222 CB PHE A 142 4.426 1.896 -3.698 1.00 0.73 C ATOM 2223 CG PHE A 142 4.573 0.486 -4.247 1.00 0.94 C ATOM 2224 CD1 PHE A 142 3.655 -0.517 -3.875 1.00 2.49 C ATOM 2225 CD2 PHE A 142 5.610 0.176 -5.145 1.00 1.88 C ATOM 2226 CE1 PHE A 142 3.791 -1.822 -4.382 1.00 2.65 C ATOM 2227 CE2 PHE A 142 5.760 -1.132 -5.631 1.00 1.77 C ATOM 2228 CZ PHE A 142 4.859 -2.134 -5.239 1.00 1.38 C ATOM 0 H PHE A 142 3.994 1.177 -0.982 1.00 0.71 H new ATOM 0 HA PHE A 142 6.231 2.293 -2.542 1.00 0.68 H new ATOM 0 HB2 PHE A 142 3.364 2.097 -3.554 1.00 0.73 H new ATOM 0 HB3 PHE A 142 4.783 2.596 -4.454 1.00 0.73 H new ATOM 0 HD1 PHE A 142 2.846 -0.283 -3.199 1.00 2.49 H new ATOM 0 HD2 PHE A 142 6.295 0.949 -5.462 1.00 1.88 H new ATOM 0 HE1 PHE A 142 3.074 -2.584 -4.112 1.00 2.65 H new ATOM 0 HE2 PHE A 142 6.569 -1.367 -6.307 1.00 1.77 H new ATOM 0 HZ PHE A 142 4.987 -3.145 -5.596 1.00 1.38 H new ATOM 2238 N VAL A 143 5.349 4.640 -1.912 1.00 0.49 N ATOM 2239 CA VAL A 143 4.920 5.913 -1.290 1.00 0.50 C ATOM 2240 C VAL A 143 4.802 7.037 -2.309 1.00 0.76 C ATOM 2241 O VAL A 143 5.671 7.230 -3.164 1.00 0.95 O ATOM 2242 CB VAL A 143 5.806 6.360 -0.108 1.00 0.68 C ATOM 2243 CG1 VAL A 143 5.098 7.451 0.720 1.00 0.94 C ATOM 2244 CG2 VAL A 143 6.112 5.186 0.831 1.00 0.94 C ATOM 0 H VAL A 143 6.229 4.698 -2.424 1.00 0.49 H new ATOM 0 HA VAL A 143 3.931 5.701 -0.883 1.00 0.50 H new ATOM 0 HB VAL A 143 6.732 6.746 -0.534 1.00 0.68 H new ATOM 0 HG11 VAL A 143 5.739 7.752 1.548 1.00 0.94 H new ATOM 0 HG12 VAL A 143 4.894 8.314 0.086 1.00 0.94 H new ATOM 0 HG13 VAL A 143 4.159 7.059 1.112 1.00 0.94 H new ATOM 0 HG21 VAL A 143 6.738 5.532 1.654 1.00 0.94 H new ATOM 0 HG22 VAL A 143 5.179 4.785 1.228 1.00 0.94 H new ATOM 0 HG23 VAL A 143 6.637 4.406 0.279 1.00 0.94 H new ATOM 2254 N VAL A 144 3.706 7.782 -2.187 1.00 0.55 N ATOM 2255 CA VAL A 144 3.319 8.905 -3.049 1.00 0.62 C ATOM 2256 C VAL A 144 3.097 10.182 -2.237 1.00 1.05 C ATOM 2257 O VAL A 144 2.410 10.144 -1.221 1.00 0.98 O ATOM 2258 CB VAL A 144 2.023 8.553 -3.817 1.00 0.70 C ATOM 2259 CG1 VAL A 144 1.401 9.756 -4.554 1.00 1.78 C ATOM 2260 CG2 VAL A 144 2.310 7.440 -4.836 1.00 1.59 C ATOM 0 H VAL A 144 3.026 7.613 -1.446 1.00 0.55 H new ATOM 0 HA VAL A 144 4.132 9.083 -3.752 1.00 0.62 H new ATOM 0 HB VAL A 144 1.302 8.224 -3.068 1.00 0.70 H new ATOM 0 HG11 VAL A 144 0.496 9.438 -5.071 1.00 1.78 H new ATOM 0 HG12 VAL A 144 1.152 10.535 -3.833 1.00 1.78 H new ATOM 0 HG13 VAL A 144 2.115 10.147 -5.279 1.00 1.78 H new ATOM 0 HG21 VAL A 144 1.395 7.195 -5.375 1.00 1.59 H new ATOM 0 HG22 VAL A 144 3.067 7.780 -5.543 1.00 1.59 H new ATOM 0 HG23 VAL A 144 2.672 6.554 -4.315 1.00 1.59 H new ATOM 2270 N LYS A 145 3.586 11.314 -2.753 1.00 0.74 N ATOM 2271 CA LYS A 145 3.055 12.670 -2.508 1.00 0.78 C ATOM 2272 C LYS A 145 2.923 13.387 -3.861 1.00 1.05 C ATOM 2273 O LYS A 145 3.663 13.063 -4.790 1.00 1.25 O ATOM 2274 CB LYS A 145 3.949 13.450 -1.523 1.00 0.97 C ATOM 2275 CG LYS A 145 3.597 14.956 -1.477 1.00 1.43 C ATOM 2276 CD LYS A 145 4.281 15.708 -0.334 1.00 1.61 C ATOM 2277 CE LYS A 145 3.413 15.747 0.933 1.00 1.73 C ATOM 2278 NZ LYS A 145 4.123 16.431 2.040 1.00 2.11 N ATOM 0 H LYS A 145 4.393 11.317 -3.377 1.00 0.74 H new ATOM 0 HA LYS A 145 2.073 12.608 -2.039 1.00 0.78 H new ATOM 0 HB2 LYS A 145 3.844 13.024 -0.525 1.00 0.97 H new ATOM 0 HB3 LYS A 145 4.993 13.332 -1.812 1.00 0.97 H new ATOM 0 HG2 LYS A 145 3.879 15.416 -2.424 1.00 1.43 H new ATOM 0 HG3 LYS A 145 2.517 15.066 -1.379 1.00 1.43 H new ATOM 0 HD2 LYS A 145 5.234 15.231 -0.106 1.00 1.61 H new ATOM 0 HD3 LYS A 145 4.503 16.727 -0.652 1.00 1.61 H new ATOM 0 HE2 LYS A 145 2.477 16.264 0.722 1.00 1.73 H new ATOM 0 HE3 LYS A 145 3.155 14.731 1.233 1.00 1.73 H new ATOM 0 HZ1 LYS A 145 3.641 16.228 2.939 1.00 2.11 H new ATOM 0 HZ2 LYS A 145 5.104 16.088 2.087 1.00 2.11 H new ATOM 0 HZ3 LYS A 145 4.123 17.457 1.871 1.00 2.11 H new ATOM 2292 N GLU A 146 1.961 14.306 -4.000 1.00 1.00 N ATOM 2293 CA GLU A 146 1.685 15.142 -5.189 1.00 1.14 C ATOM 2294 C GLU A 146 0.884 14.365 -6.257 1.00 1.32 C ATOM 2295 O GLU A 146 0.390 14.947 -7.222 1.00 1.69 O ATOM 2296 CB GLU A 146 3.003 15.654 -5.802 1.00 1.42 C ATOM 2297 CG GLU A 146 2.948 16.993 -6.532 1.00 2.44 C ATOM 2298 CD GLU A 146 4.102 17.063 -7.537 1.00 3.05 C ATOM 2299 OE1 GLU A 146 5.261 16.800 -7.152 1.00 3.09 O ATOM 2300 OE2 GLU A 146 3.860 17.251 -8.747 1.00 4.06 O ATOM 0 H GLU A 146 1.309 14.503 -3.241 1.00 1.00 H new ATOM 0 HA GLU A 146 1.083 15.989 -4.860 1.00 1.14 H new ATOM 0 HB2 GLU A 146 3.741 15.732 -5.004 1.00 1.42 H new ATOM 0 HB3 GLU A 146 3.368 14.901 -6.501 1.00 1.42 H new ATOM 0 HG2 GLU A 146 1.994 17.102 -7.047 1.00 2.44 H new ATOM 0 HG3 GLU A 146 3.020 17.814 -5.818 1.00 2.44 H new ATOM 2307 N GLY A 147 0.778 13.038 -6.108 1.00 0.98 N ATOM 2308 CA GLY A 147 0.398 12.115 -7.178 1.00 1.01 C ATOM 2309 C GLY A 147 1.607 11.542 -7.921 1.00 1.01 C ATOM 2310 O GLY A 147 1.432 11.052 -9.032 1.00 1.11 O ATOM 0 H GLY A 147 0.959 12.569 -5.220 1.00 0.98 H new ATOM 0 HA2 GLY A 147 -0.185 11.297 -6.756 1.00 1.01 H new ATOM 0 HA3 GLY A 147 -0.247 12.633 -7.887 1.00 1.01 H new ATOM 2314 N ARG A 148 2.828 11.589 -7.361 1.00 0.86 N ATOM 2315 CA ARG A 148 4.009 10.901 -7.915 1.00 0.81 C ATOM 2316 C ARG A 148 4.712 9.985 -6.912 1.00 1.10 C ATOM 2317 O ARG A 148 4.785 10.248 -5.715 1.00 1.32 O ATOM 2318 CB ARG A 148 4.998 11.893 -8.553 1.00 0.96 C ATOM 2319 CG ARG A 148 5.525 12.914 -7.566 1.00 1.46 C ATOM 2320 CD ARG A 148 6.608 13.798 -8.175 1.00 1.63 C ATOM 2321 NE ARG A 148 6.037 14.904 -8.943 1.00 1.98 N ATOM 2322 CZ ARG A 148 6.353 15.357 -10.141 1.00 3.24 C ATOM 2323 NH1 ARG A 148 7.235 14.755 -10.918 1.00 4.28 N ATOM 2324 NH2 ARG A 148 5.767 16.455 -10.556 1.00 3.79 N ATOM 0 H ARG A 148 3.025 12.109 -6.506 1.00 0.86 H new ATOM 0 HA ARG A 148 3.625 10.249 -8.700 1.00 0.81 H new ATOM 0 HB2 ARG A 148 5.835 11.341 -8.979 1.00 0.96 H new ATOM 0 HB3 ARG A 148 4.506 12.411 -9.376 1.00 0.96 H new ATOM 0 HG2 ARG A 148 4.702 13.538 -7.217 1.00 1.46 H new ATOM 0 HG3 ARG A 148 5.927 12.399 -6.693 1.00 1.46 H new ATOM 0 HD2 ARG A 148 7.242 14.195 -7.382 1.00 1.63 H new ATOM 0 HD3 ARG A 148 7.246 13.197 -8.823 1.00 1.63 H new ATOM 0 HE ARG A 148 5.277 15.402 -8.481 1.00 1.98 H new ATOM 0 HH11 ARG A 148 7.701 13.906 -10.598 1.00 4.28 H new ATOM 0 HH12 ARG A 148 7.450 15.139 -11.838 1.00 4.28 H new ATOM 0 HH21 ARG A 148 5.091 16.930 -9.958 1.00 3.79 H new ATOM 0 HH22 ARG A 148 5.987 16.834 -11.477 1.00 3.79 H new ATOM 2338 N LEU A 149 5.250 8.886 -7.438 1.00 0.65 N ATOM 2339 CA LEU A 149 5.976 7.851 -6.711 1.00 0.59 C ATOM 2340 C LEU A 149 7.299 8.459 -6.222 1.00 0.91 C ATOM 2341 O LEU A 149 8.177 8.737 -7.034 1.00 1.24 O ATOM 2342 CB LEU A 149 6.169 6.637 -7.661 1.00 0.68 C ATOM 2343 CG LEU A 149 6.031 5.233 -7.032 1.00 0.82 C ATOM 2344 CD1 LEU A 149 6.920 5.021 -5.802 1.00 1.89 C ATOM 2345 CD2 LEU A 149 4.574 4.931 -6.669 1.00 2.19 C ATOM 0 H LEU A 149 5.187 8.685 -8.436 1.00 0.65 H new ATOM 0 HA LEU A 149 5.436 7.492 -5.835 1.00 0.59 H new ATOM 0 HB2 LEU A 149 5.443 6.720 -8.470 1.00 0.68 H new ATOM 0 HB3 LEU A 149 7.159 6.712 -8.112 1.00 0.68 H new ATOM 0 HG LEU A 149 6.373 4.538 -7.799 1.00 0.82 H new ATOM 0 HD11 LEU A 149 6.770 4.013 -5.414 1.00 1.89 H new ATOM 0 HD12 LEU A 149 7.965 5.150 -6.082 1.00 1.89 H new ATOM 0 HD13 LEU A 149 6.658 5.748 -5.034 1.00 1.89 H new ATOM 0 HD21 LEU A 149 4.507 3.936 -6.228 1.00 2.19 H new ATOM 0 HD22 LEU A 149 4.217 5.670 -5.952 1.00 2.19 H new ATOM 0 HD23 LEU A 149 3.959 4.971 -7.568 1.00 2.19 H new ATOM 2357 N VAL A 150 7.419 8.697 -4.919 1.00 0.50 N ATOM 2358 CA VAL A 150 8.591 9.340 -4.283 1.00 0.58 C ATOM 2359 C VAL A 150 9.477 8.358 -3.508 1.00 0.97 C ATOM 2360 O VAL A 150 10.630 8.684 -3.224 1.00 1.15 O ATOM 2361 CB VAL A 150 8.178 10.504 -3.345 1.00 0.67 C ATOM 2362 CG1 VAL A 150 7.715 11.713 -4.164 1.00 1.47 C ATOM 2363 CG2 VAL A 150 7.077 10.113 -2.342 1.00 1.21 C ATOM 0 H VAL A 150 6.692 8.446 -4.249 1.00 0.50 H new ATOM 0 HA VAL A 150 9.176 9.736 -5.113 1.00 0.58 H new ATOM 0 HB VAL A 150 9.067 10.759 -2.767 1.00 0.67 H new ATOM 0 HG11 VAL A 150 7.429 12.521 -3.490 1.00 1.47 H new ATOM 0 HG12 VAL A 150 8.527 12.049 -4.808 1.00 1.47 H new ATOM 0 HG13 VAL A 150 6.859 11.431 -4.777 1.00 1.47 H new ATOM 0 HG21 VAL A 150 6.834 10.971 -1.716 1.00 1.21 H new ATOM 0 HG22 VAL A 150 6.186 9.796 -2.885 1.00 1.21 H new ATOM 0 HG23 VAL A 150 7.430 9.295 -1.715 1.00 1.21 H new ATOM 2373 N LEU A 151 8.972 7.160 -3.180 1.00 0.55 N ATOM 2374 CA LEU A 151 9.667 6.211 -2.302 1.00 0.63 C ATOM 2375 C LEU A 151 9.225 4.757 -2.526 1.00 1.02 C ATOM 2376 O LEU A 151 8.033 4.488 -2.705 1.00 1.20 O ATOM 2377 CB LEU A 151 9.467 6.658 -0.831 1.00 0.77 C ATOM 2378 CG LEU A 151 10.781 6.992 -0.117 1.00 1.10 C ATOM 2379 CD1 LEU A 151 10.570 7.825 1.140 1.00 1.51 C ATOM 2380 CD2 LEU A 151 11.562 5.725 0.230 1.00 0.98 C ATOM 0 H LEU A 151 8.070 6.823 -3.517 1.00 0.55 H new ATOM 0 HA LEU A 151 10.729 6.225 -2.546 1.00 0.63 H new ATOM 0 HB2 LEU A 151 8.817 7.533 -0.809 1.00 0.77 H new ATOM 0 HB3 LEU A 151 8.955 5.866 -0.284 1.00 0.77 H new ATOM 0 HG LEU A 151 11.362 7.590 -0.819 1.00 1.10 H new ATOM 0 HD11 LEU A 151 11.534 8.032 1.605 1.00 1.51 H new ATOM 0 HD12 LEU A 151 10.085 8.765 0.876 1.00 1.51 H new ATOM 0 HD13 LEU A 151 9.940 7.275 1.839 1.00 1.51 H new ATOM 0 HD21 LEU A 151 12.489 5.996 0.735 1.00 0.98 H new ATOM 0 HD22 LEU A 151 10.961 5.096 0.887 1.00 0.98 H new ATOM 0 HD23 LEU A 151 11.794 5.179 -0.684 1.00 0.98 H new ATOM 2392 N LEU A 152 10.191 3.833 -2.471 1.00 0.63 N ATOM 2393 CA LEU A 152 9.990 2.378 -2.541 1.00 0.63 C ATOM 2394 C LEU A 152 10.473 1.679 -1.266 1.00 1.15 C ATOM 2395 O LEU A 152 11.480 2.060 -0.665 1.00 1.25 O ATOM 2396 CB LEU A 152 10.741 1.798 -3.755 1.00 0.78 C ATOM 2397 CG LEU A 152 10.230 2.266 -5.130 1.00 0.74 C ATOM 2398 CD1 LEU A 152 11.157 1.735 -6.232 1.00 0.92 C ATOM 2399 CD2 LEU A 152 8.802 1.769 -5.386 1.00 0.88 C ATOM 0 H LEU A 152 11.174 4.087 -2.373 1.00 0.63 H new ATOM 0 HA LEU A 152 8.920 2.199 -2.646 1.00 0.63 H new ATOM 0 HB2 LEU A 152 11.795 2.061 -3.669 1.00 0.78 H new ATOM 0 HB3 LEU A 152 10.679 0.711 -3.714 1.00 0.78 H new ATOM 0 HG LEU A 152 10.225 3.356 -5.139 1.00 0.74 H new ATOM 0 HD11 LEU A 152 10.794 2.067 -7.204 1.00 0.92 H new ATOM 0 HD12 LEU A 152 12.166 2.115 -6.073 1.00 0.92 H new ATOM 0 HD13 LEU A 152 11.170 0.645 -6.203 1.00 0.92 H new ATOM 0 HD21 LEU A 152 8.466 2.114 -6.364 1.00 0.88 H new ATOM 0 HD22 LEU A 152 8.786 0.679 -5.361 1.00 0.88 H new ATOM 0 HD23 LEU A 152 8.137 2.160 -4.616 1.00 0.88 H new ATOM 2411 N TYR A 153 9.763 0.620 -0.884 1.00 0.64 N ATOM 2412 CA TYR A 153 10.070 -0.235 0.259 1.00 0.64 C ATOM 2413 C TYR A 153 10.034 -1.731 -0.142 1.00 1.24 C ATOM 2414 O TYR A 153 10.267 -2.103 -1.290 1.00 2.27 O ATOM 2415 CB TYR A 153 9.067 0.126 1.375 1.00 0.57 C ATOM 2416 CG TYR A 153 9.337 1.386 2.164 1.00 0.75 C ATOM 2417 CD1 TYR A 153 10.481 1.455 2.981 1.00 1.89 C ATOM 2418 CD2 TYR A 153 8.365 2.404 2.221 1.00 2.29 C ATOM 2419 CE1 TYR A 153 10.631 2.512 3.895 1.00 1.90 C ATOM 2420 CE2 TYR A 153 8.511 3.465 3.129 1.00 2.68 C ATOM 2421 CZ TYR A 153 9.634 3.506 3.981 1.00 1.61 C ATOM 2422 OH TYR A 153 9.747 4.478 4.918 1.00 2.23 O ATOM 0 H TYR A 153 8.924 0.323 -1.383 1.00 0.64 H new ATOM 0 HA TYR A 153 11.083 -0.067 0.624 1.00 0.64 H new ATOM 0 HB2 TYR A 153 8.078 0.214 0.925 1.00 0.57 H new ATOM 0 HB3 TYR A 153 9.025 -0.709 2.075 1.00 0.57 H new ATOM 0 HD1 TYR A 153 11.244 0.695 2.905 1.00 1.89 H new ATOM 0 HD2 TYR A 153 7.507 2.368 1.566 1.00 2.29 H new ATOM 0 HE1 TYR A 153 11.505 2.563 4.528 1.00 1.90 H new ATOM 0 HE2 TYR A 153 7.767 4.246 3.175 1.00 2.68 H new ATOM 0 HH TYR A 153 8.983 5.088 4.850 1.00 2.23 H new ATOM 2432 N SER A 154 9.761 -2.615 0.809 1.00 1.07 N ATOM 2433 CA SER A 154 9.621 -4.079 0.724 1.00 0.88 C ATOM 2434 C SER A 154 9.005 -4.517 2.073 1.00 1.16 C ATOM 2435 O SER A 154 9.035 -3.706 3.011 1.00 1.45 O ATOM 2436 CB SER A 154 10.965 -4.802 0.459 1.00 1.00 C ATOM 2437 OG SER A 154 11.947 -4.018 -0.205 1.00 1.56 O ATOM 0 H SER A 154 9.615 -2.297 1.767 1.00 1.07 H new ATOM 0 HA SER A 154 8.991 -4.351 -0.123 1.00 0.88 H new ATOM 0 HB2 SER A 154 11.374 -5.138 1.412 1.00 1.00 H new ATOM 0 HB3 SER A 154 10.770 -5.694 -0.137 1.00 1.00 H new ATOM 0 HG SER A 154 12.761 -4.550 -0.330 1.00 1.56 H new ATOM 2443 N PRO A 155 8.456 -5.737 2.228 1.00 0.84 N ATOM 2444 CA PRO A 155 7.882 -6.157 3.504 1.00 1.05 C ATOM 2445 C PRO A 155 8.983 -6.206 4.571 1.00 1.24 C ATOM 2446 O PRO A 155 8.865 -5.574 5.611 1.00 1.19 O ATOM 2447 CB PRO A 155 7.218 -7.511 3.241 1.00 1.20 C ATOM 2448 CG PRO A 155 7.966 -8.063 2.027 1.00 1.01 C ATOM 2449 CD PRO A 155 8.401 -6.818 1.252 1.00 0.83 C ATOM 0 HA PRO A 155 7.135 -5.463 3.890 1.00 1.05 H new ATOM 0 HB2 PRO A 155 7.310 -8.174 4.101 1.00 1.20 H new ATOM 0 HB3 PRO A 155 6.153 -7.400 3.037 1.00 1.20 H new ATOM 0 HG2 PRO A 155 8.824 -8.664 2.328 1.00 1.01 H new ATOM 0 HG3 PRO A 155 7.324 -8.704 1.422 1.00 1.01 H new ATOM 0 HD2 PRO A 155 9.373 -6.970 0.783 1.00 0.83 H new ATOM 0 HD3 PRO A 155 7.695 -6.588 0.454 1.00 0.83 H new ATOM 2457 N ASP A 156 10.130 -6.804 4.246 1.00 1.07 N ATOM 2458 CA ASP A 156 11.354 -6.814 5.048 1.00 1.17 C ATOM 2459 C ASP A 156 12.030 -5.430 5.200 1.00 1.28 C ATOM 2460 O ASP A 156 13.056 -5.305 5.868 1.00 1.53 O ATOM 2461 CB ASP A 156 12.294 -7.846 4.404 1.00 1.39 C ATOM 2462 CG ASP A 156 12.649 -7.485 2.958 1.00 1.50 C ATOM 2463 OD1 ASP A 156 11.750 -7.558 2.088 1.00 2.46 O ATOM 2464 OD2 ASP A 156 13.806 -7.057 2.755 1.00 1.78 O ATOM 0 H ASP A 156 10.236 -7.320 3.373 1.00 1.07 H new ATOM 0 HA ASP A 156 11.104 -7.085 6.074 1.00 1.17 H new ATOM 0 HB2 ASP A 156 13.208 -7.919 4.993 1.00 1.39 H new ATOM 0 HB3 ASP A 156 11.822 -8.828 4.426 1.00 1.39 H new ATOM 2469 N LYS A 157 11.493 -4.367 4.582 1.00 1.05 N ATOM 2470 CA LYS A 157 11.790 -2.967 4.938 1.00 1.06 C ATOM 2471 C LYS A 157 10.720 -2.355 5.861 1.00 1.40 C ATOM 2472 O LYS A 157 11.070 -1.534 6.705 1.00 1.41 O ATOM 2473 CB LYS A 157 11.922 -2.076 3.686 1.00 1.19 C ATOM 2474 CG LYS A 157 12.859 -2.583 2.584 1.00 1.49 C ATOM 2475 CD LYS A 157 14.359 -2.498 2.907 1.00 1.67 C ATOM 2476 CE LYS A 157 15.044 -3.843 2.624 1.00 2.16 C ATOM 2477 NZ LYS A 157 14.812 -4.821 3.711 1.00 3.04 N ATOM 0 H LYS A 157 10.831 -4.454 3.811 1.00 1.05 H new ATOM 0 HA LYS A 157 12.741 -2.997 5.470 1.00 1.06 H new ATOM 0 HB2 LYS A 157 10.929 -1.942 3.256 1.00 1.19 H new ATOM 0 HB3 LYS A 157 12.268 -1.092 4.002 1.00 1.19 H new ATOM 0 HG2 LYS A 157 12.609 -3.622 2.367 1.00 1.49 H new ATOM 0 HG3 LYS A 157 12.667 -2.012 1.675 1.00 1.49 H new ATOM 0 HD2 LYS A 157 14.823 -1.714 2.309 1.00 1.67 H new ATOM 0 HD3 LYS A 157 14.497 -2.225 3.953 1.00 1.67 H new ATOM 0 HE2 LYS A 157 14.671 -4.250 1.684 1.00 2.16 H new ATOM 0 HE3 LYS A 157 16.115 -3.686 2.500 1.00 2.16 H new ATOM 0 HZ1 LYS A 157 15.725 -5.122 4.108 1.00 3.04 H new ATOM 0 HZ2 LYS A 157 14.238 -4.380 4.458 1.00 3.04 H new ATOM 0 HZ3 LYS A 157 14.309 -5.649 3.332 1.00 3.04 H new ATOM 2491 N ALA A 158 9.445 -2.730 5.696 1.00 1.11 N ATOM 2492 CA ALA A 158 8.295 -2.153 6.391 1.00 1.15 C ATOM 2493 C ALA A 158 8.261 -2.500 7.889 1.00 1.29 C ATOM 2494 O ALA A 158 7.937 -1.626 8.693 1.00 1.24 O ATOM 2495 CB ALA A 158 7.022 -2.616 5.674 1.00 1.33 C ATOM 0 H ALA A 158 9.180 -3.473 5.049 1.00 1.11 H new ATOM 0 HA ALA A 158 8.373 -1.066 6.355 1.00 1.15 H new ATOM 0 HB1 ALA A 158 6.149 -2.197 6.175 1.00 1.33 H new ATOM 0 HB2 ALA A 158 7.043 -2.276 4.639 1.00 1.33 H new ATOM 0 HB3 ALA A 158 6.967 -3.704 5.697 1.00 1.33 H new ATOM 2501 N GLU A 159 8.655 -3.725 8.260 1.00 1.03 N ATOM 2502 CA GLU A 159 8.662 -4.209 9.650 1.00 1.00 C ATOM 2503 C GLU A 159 9.475 -3.325 10.605 1.00 1.24 C ATOM 2504 O GLU A 159 9.173 -3.201 11.794 1.00 1.42 O ATOM 2505 CB GLU A 159 9.188 -5.652 9.698 1.00 1.05 C ATOM 2506 CG GLU A 159 8.421 -6.627 8.791 1.00 1.31 C ATOM 2507 CD GLU A 159 6.934 -6.305 8.738 1.00 2.08 C ATOM 2508 OE1 GLU A 159 6.262 -6.517 9.765 1.00 3.10 O ATOM 2509 OE2 GLU A 159 6.512 -5.703 7.722 1.00 3.39 O ATOM 0 H GLU A 159 8.984 -4.422 7.592 1.00 1.03 H new ATOM 0 HA GLU A 159 7.629 -4.168 9.996 1.00 1.00 H new ATOM 0 HB2 GLU A 159 10.239 -5.654 9.410 1.00 1.05 H new ATOM 0 HB3 GLU A 159 9.138 -6.012 10.726 1.00 1.05 H new ATOM 0 HG2 GLU A 159 8.837 -6.589 7.784 1.00 1.31 H new ATOM 0 HG3 GLU A 159 8.559 -7.645 9.154 1.00 1.31 H new ATOM 2516 N ALA A 160 10.499 -2.664 10.070 1.00 0.91 N ATOM 2517 CA ALA A 160 11.264 -1.626 10.753 1.00 0.83 C ATOM 2518 C ALA A 160 10.454 -0.320 10.969 1.00 1.07 C ATOM 2519 O ALA A 160 10.769 0.726 10.384 1.00 1.02 O ATOM 2520 CB ALA A 160 12.587 -1.436 9.996 1.00 0.84 C ATOM 0 H ALA A 160 10.828 -2.842 9.121 1.00 0.91 H new ATOM 0 HA ALA A 160 11.493 -1.941 11.771 1.00 0.83 H new ATOM 0 HB1 ALA A 160 13.179 -0.664 10.487 1.00 0.84 H new ATOM 0 HB2 ALA A 160 13.143 -2.374 9.994 1.00 0.84 H new ATOM 0 HB3 ALA A 160 12.379 -1.136 8.969 1.00 0.84 H new ATOM 2526 N THR A 161 9.432 -0.383 11.845 1.00 0.88 N ATOM 2527 CA THR A 161 8.568 0.720 12.321 1.00 0.96 C ATOM 2528 C THR A 161 9.301 2.050 12.426 1.00 1.06 C ATOM 2529 O THR A 161 8.883 3.031 11.813 1.00 1.29 O ATOM 2530 CB THR A 161 7.971 0.348 13.691 1.00 1.04 C ATOM 2531 OG1 THR A 161 6.952 -0.606 13.520 1.00 1.16 O ATOM 2532 CG2 THR A 161 7.350 1.511 14.467 1.00 1.26 C ATOM 0 H THR A 161 9.168 -1.271 12.271 1.00 0.88 H new ATOM 0 HA THR A 161 7.780 0.852 11.580 1.00 0.96 H new ATOM 0 HB THR A 161 8.820 -0.021 14.267 1.00 1.04 H new ATOM 0 HG1 THR A 161 6.248 -0.234 12.948 1.00 1.16 H new ATOM 0 HG21 THR A 161 6.958 1.147 15.417 1.00 1.26 H new ATOM 0 HG22 THR A 161 8.110 2.270 14.655 1.00 1.26 H new ATOM 0 HG23 THR A 161 6.539 1.946 13.883 1.00 1.26 H new ATOM 2540 N ASP A 162 10.381 2.113 13.195 1.00 0.97 N ATOM 2541 CA ASP A 162 11.090 3.361 13.489 1.00 1.04 C ATOM 2542 C ASP A 162 11.832 3.935 12.269 1.00 1.25 C ATOM 2543 O ASP A 162 11.856 5.152 12.084 1.00 1.34 O ATOM 2544 CB ASP A 162 11.986 3.153 14.724 1.00 1.12 C ATOM 2545 CG ASP A 162 13.121 2.135 14.563 1.00 2.44 C ATOM 2546 OD1 ASP A 162 12.967 1.162 13.787 1.00 3.84 O ATOM 2547 OD2 ASP A 162 14.177 2.358 15.197 1.00 3.63 O ATOM 0 H ASP A 162 10.797 1.294 13.638 1.00 0.97 H new ATOM 0 HA ASP A 162 10.360 4.134 13.730 1.00 1.04 H new ATOM 0 HB2 ASP A 162 12.422 4.114 14.999 1.00 1.12 H new ATOM 0 HB3 ASP A 162 11.357 2.838 15.557 1.00 1.12 H new ATOM 2552 N ARG A 163 12.334 3.079 11.364 1.00 1.00 N ATOM 2553 CA ARG A 163 12.732 3.499 10.013 1.00 1.02 C ATOM 2554 C ARG A 163 11.535 4.054 9.232 1.00 1.25 C ATOM 2555 O ARG A 163 11.655 5.141 8.669 1.00 1.53 O ATOM 2556 CB ARG A 163 13.372 2.357 9.205 1.00 1.02 C ATOM 2557 CG ARG A 163 14.449 1.552 9.945 1.00 1.29 C ATOM 2558 CD ARG A 163 15.723 2.341 10.248 1.00 1.39 C ATOM 2559 NE ARG A 163 16.384 1.788 11.444 1.00 1.88 N ATOM 2560 CZ ARG A 163 16.058 2.130 12.684 1.00 3.21 C ATOM 2561 NH1 ARG A 163 15.489 3.281 12.964 1.00 3.83 N ATOM 2562 NH2 ARG A 163 16.239 1.298 13.683 1.00 4.50 N ATOM 0 H ARG A 163 12.474 2.085 11.547 1.00 1.00 H new ATOM 0 HA ARG A 163 13.479 4.282 10.149 1.00 1.02 H new ATOM 0 HB2 ARG A 163 12.585 1.673 8.888 1.00 1.02 H new ATOM 0 HB3 ARG A 163 13.813 2.777 8.301 1.00 1.02 H new ATOM 0 HG2 ARG A 163 14.032 1.184 10.882 1.00 1.29 H new ATOM 0 HG3 ARG A 163 14.709 0.679 9.347 1.00 1.29 H new ATOM 0 HD2 ARG A 163 16.400 2.297 9.395 1.00 1.39 H new ATOM 0 HD3 ARG A 163 15.481 3.392 10.409 1.00 1.39 H new ATOM 0 HE ARG A 163 17.131 1.107 11.311 1.00 1.88 H new ATOM 0 HH11 ARG A 163 15.284 3.944 12.216 1.00 3.83 H new ATOM 0 HH12 ARG A 163 15.252 3.511 13.929 1.00 3.83 H new ATOM 0 HH21 ARG A 163 16.635 0.374 13.512 1.00 4.50 H new ATOM 0 HH22 ARG A 163 15.983 1.576 14.631 1.00 4.50 H new ATOM 2576 N VAL A 164 10.389 3.362 9.234 1.00 1.05 N ATOM 2577 CA VAL A 164 9.191 3.818 8.508 1.00 1.07 C ATOM 2578 C VAL A 164 8.677 5.172 9.024 1.00 1.23 C ATOM 2579 O VAL A 164 8.354 6.024 8.201 1.00 1.33 O ATOM 2580 CB VAL A 164 8.082 2.742 8.487 1.00 1.05 C ATOM 2581 CG1 VAL A 164 6.750 3.253 7.913 1.00 1.18 C ATOM 2582 CG2 VAL A 164 8.536 1.544 7.637 1.00 1.08 C ATOM 0 H VAL A 164 10.263 2.480 9.732 1.00 1.05 H new ATOM 0 HA VAL A 164 9.494 3.977 7.473 1.00 1.07 H new ATOM 0 HB VAL A 164 7.915 2.458 9.526 1.00 1.05 H new ATOM 0 HG11 VAL A 164 6.015 2.448 7.927 1.00 1.18 H new ATOM 0 HG12 VAL A 164 6.389 4.085 8.517 1.00 1.18 H new ATOM 0 HG13 VAL A 164 6.901 3.589 6.887 1.00 1.18 H new ATOM 0 HG21 VAL A 164 7.751 0.788 7.625 1.00 1.08 H new ATOM 0 HG22 VAL A 164 8.736 1.876 6.618 1.00 1.08 H new ATOM 0 HG23 VAL A 164 9.444 1.118 8.064 1.00 1.08 H new ATOM 2592 N VAL A 165 8.682 5.417 10.343 1.00 1.09 N ATOM 2593 CA VAL A 165 8.424 6.764 10.903 1.00 1.07 C ATOM 2594 C VAL A 165 9.334 7.816 10.250 1.00 1.19 C ATOM 2595 O VAL A 165 8.849 8.825 9.743 1.00 1.34 O ATOM 2596 CB VAL A 165 8.620 6.817 12.441 1.00 1.02 C ATOM 2597 CG1 VAL A 165 8.553 8.253 13.007 1.00 1.04 C ATOM 2598 CG2 VAL A 165 7.558 5.991 13.174 1.00 1.36 C ATOM 0 H VAL A 165 8.862 4.702 11.048 1.00 1.09 H new ATOM 0 HA VAL A 165 7.380 6.987 10.683 1.00 1.07 H new ATOM 0 HB VAL A 165 9.615 6.406 12.610 1.00 1.02 H new ATOM 0 HG11 VAL A 165 8.697 8.225 14.087 1.00 1.04 H new ATOM 0 HG12 VAL A 165 9.335 8.860 12.552 1.00 1.04 H new ATOM 0 HG13 VAL A 165 7.579 8.688 12.782 1.00 1.04 H new ATOM 0 HG21 VAL A 165 7.728 6.052 14.249 1.00 1.36 H new ATOM 0 HG22 VAL A 165 6.568 6.382 12.940 1.00 1.36 H new ATOM 0 HG23 VAL A 165 7.622 4.951 12.855 1.00 1.36 H new ATOM 2608 N ALA A 166 10.652 7.596 10.271 1.00 1.04 N ATOM 2609 CA ALA A 166 11.632 8.593 9.846 1.00 1.08 C ATOM 2610 C ALA A 166 11.607 8.888 8.332 1.00 1.22 C ATOM 2611 O ALA A 166 11.713 10.052 7.952 1.00 1.34 O ATOM 2612 CB ALA A 166 13.004 8.124 10.340 1.00 1.13 C ATOM 0 H ALA A 166 11.068 6.719 10.584 1.00 1.04 H new ATOM 0 HA ALA A 166 11.380 9.556 10.290 1.00 1.08 H new ATOM 0 HB1 ALA A 166 13.765 8.845 10.041 1.00 1.13 H new ATOM 0 HB2 ALA A 166 12.990 8.041 11.427 1.00 1.13 H new ATOM 0 HB3 ALA A 166 13.235 7.152 9.904 1.00 1.13 H new ATOM 2618 N ASP A 167 11.396 7.888 7.472 1.00 1.03 N ATOM 2619 CA ASP A 167 11.304 8.119 6.016 1.00 1.03 C ATOM 2620 C ASP A 167 9.931 8.641 5.562 1.00 1.42 C ATOM 2621 O ASP A 167 9.864 9.344 4.556 1.00 1.54 O ATOM 2622 CB ASP A 167 11.709 6.860 5.227 1.00 1.05 C ATOM 2623 CG ASP A 167 13.150 6.884 4.713 1.00 1.74 C ATOM 2624 OD1 ASP A 167 13.663 7.974 4.367 1.00 2.65 O ATOM 2625 OD2 ASP A 167 13.770 5.796 4.677 1.00 2.76 O ATOM 0 H ASP A 167 11.285 6.913 7.750 1.00 1.03 H new ATOM 0 HA ASP A 167 12.016 8.914 5.793 1.00 1.03 H new ATOM 0 HB2 ASP A 167 11.576 5.986 5.864 1.00 1.05 H new ATOM 0 HB3 ASP A 167 11.034 6.742 4.379 1.00 1.05 H new ATOM 2630 N LEU A 168 8.850 8.394 6.320 1.00 1.12 N ATOM 2631 CA LEU A 168 7.603 9.158 6.146 1.00 1.17 C ATOM 2632 C LEU A 168 7.813 10.629 6.538 1.00 1.41 C ATOM 2633 O LEU A 168 7.370 11.527 5.821 1.00 1.56 O ATOM 2634 CB LEU A 168 6.460 8.531 6.972 1.00 1.21 C ATOM 2635 CG LEU A 168 5.937 7.183 6.432 1.00 1.33 C ATOM 2636 CD1 LEU A 168 5.035 6.538 7.495 1.00 1.88 C ATOM 2637 CD2 LEU A 168 5.144 7.341 5.122 1.00 1.64 C ATOM 0 H LEU A 168 8.813 7.682 7.049 1.00 1.12 H new ATOM 0 HA LEU A 168 7.322 9.121 5.094 1.00 1.17 H new ATOM 0 HB2 LEU A 168 6.807 8.387 7.995 1.00 1.21 H new ATOM 0 HB3 LEU A 168 5.630 9.237 7.013 1.00 1.21 H new ATOM 0 HG LEU A 168 6.801 6.554 6.216 1.00 1.33 H new ATOM 0 HD11 LEU A 168 4.660 5.584 7.124 1.00 1.88 H new ATOM 0 HD12 LEU A 168 5.609 6.372 8.407 1.00 1.88 H new ATOM 0 HD13 LEU A 168 4.196 7.199 7.710 1.00 1.88 H new ATOM 0 HD21 LEU A 168 4.799 6.363 4.785 1.00 1.64 H new ATOM 0 HD22 LEU A 168 4.285 7.990 5.293 1.00 1.64 H new ATOM 0 HD23 LEU A 168 5.786 7.782 4.359 1.00 1.64 H new ATOM 2649 N GLN A 169 8.536 10.884 7.630 1.00 1.15 N ATOM 2650 CA GLN A 169 8.931 12.231 8.056 1.00 1.15 C ATOM 2651 C GLN A 169 9.815 12.957 7.028 1.00 1.41 C ATOM 2652 O GLN A 169 9.767 14.182 6.960 1.00 1.50 O ATOM 2653 CB GLN A 169 9.615 12.160 9.433 1.00 1.20 C ATOM 2654 CG GLN A 169 8.617 11.993 10.590 1.00 1.39 C ATOM 2655 CD GLN A 169 9.263 12.060 11.970 1.00 1.71 C ATOM 2656 OE1 GLN A 169 8.650 12.472 12.938 1.00 2.48 O ATOM 2657 NE2 GLN A 169 10.517 11.691 12.135 1.00 2.10 N ATOM 0 H GLN A 169 8.870 10.150 8.254 1.00 1.15 H new ATOM 0 HA GLN A 169 8.022 12.828 8.134 1.00 1.15 H new ATOM 0 HB2 GLN A 169 10.316 11.326 9.442 1.00 1.20 H new ATOM 0 HB3 GLN A 169 10.197 13.068 9.591 1.00 1.20 H new ATOM 0 HG2 GLN A 169 7.856 12.770 10.517 1.00 1.39 H new ATOM 0 HG3 GLN A 169 8.107 11.036 10.483 1.00 1.39 H new ATOM 0 HE21 GLN A 169 11.055 11.342 11.342 1.00 2.10 H new ATOM 0 HE22 GLN A 169 10.950 11.754 13.056 1.00 2.10 H new ATOM 2666 N ALA A 170 10.567 12.236 6.190 1.00 1.25 N ATOM 2667 CA ALA A 170 11.337 12.809 5.083 1.00 1.35 C ATOM 2668 C ALA A 170 10.482 13.372 3.929 1.00 1.36 C ATOM 2669 O ALA A 170 11.024 14.064 3.065 1.00 1.58 O ATOM 2670 CB ALA A 170 12.309 11.738 4.577 1.00 1.51 C ATOM 0 H ALA A 170 10.659 11.223 6.264 1.00 1.25 H new ATOM 0 HA ALA A 170 11.870 13.677 5.470 1.00 1.35 H new ATOM 0 HB1 ALA A 170 12.895 12.140 3.751 1.00 1.51 H new ATOM 0 HB2 ALA A 170 12.977 11.442 5.386 1.00 1.51 H new ATOM 0 HB3 ALA A 170 11.747 10.869 4.234 1.00 1.51 H new ATOM 2676 N LEU A 171 9.190 13.020 3.873 1.00 1.12 N ATOM 2677 CA LEU A 171 8.222 13.448 2.857 1.00 1.15 C ATOM 2678 C LEU A 171 7.165 14.427 3.395 1.00 1.54 C ATOM 2679 O LEU A 171 6.380 14.933 2.594 1.00 1.82 O ATOM 2680 CB LEU A 171 7.476 12.200 2.344 1.00 1.28 C ATOM 2681 CG LEU A 171 8.336 11.115 1.674 1.00 1.29 C ATOM 2682 CD1 LEU A 171 7.400 9.955 1.308 1.00 1.72 C ATOM 2683 CD2 LEU A 171 9.062 11.653 0.431 1.00 1.51 C ATOM 0 H LEU A 171 8.773 12.400 4.568 1.00 1.12 H new ATOM 0 HA LEU A 171 8.785 13.959 2.076 1.00 1.15 H new ATOM 0 HB2 LEU A 171 6.949 11.748 3.184 1.00 1.28 H new ATOM 0 HB3 LEU A 171 6.719 12.524 1.630 1.00 1.28 H new ATOM 0 HG LEU A 171 9.115 10.780 2.358 1.00 1.29 H new ATOM 0 HD11 LEU A 171 7.974 9.162 0.829 1.00 1.72 H new ATOM 0 HD12 LEU A 171 6.930 9.567 2.212 1.00 1.72 H new ATOM 0 HD13 LEU A 171 6.630 10.311 0.623 1.00 1.72 H new ATOM 0 HD21 LEU A 171 9.659 10.857 -0.014 1.00 1.51 H new ATOM 0 HD22 LEU A 171 8.329 12.006 -0.294 1.00 1.51 H new ATOM 0 HD23 LEU A 171 9.714 12.478 0.719 1.00 1.51 H new ATOM 2695 N LEU A 172 7.072 14.604 4.719 1.00 1.23 N ATOM 2696 CA LEU A 172 5.868 15.079 5.421 1.00 1.37 C ATOM 2697 C LEU A 172 5.207 16.346 4.880 1.00 1.72 C ATOM 2698 O LEU A 172 3.969 16.309 4.730 1.00 2.20 O ATOM 2699 CB LEU A 172 6.138 15.203 6.934 1.00 1.60 C ATOM 2700 CG LEU A 172 5.530 14.068 7.769 1.00 2.06 C ATOM 2701 CD1 LEU A 172 5.856 14.332 9.236 1.00 2.69 C ATOM 2702 CD2 LEU A 172 4.009 13.969 7.652 1.00 2.44 C ATOM 2703 OXT LEU A 172 5.854 17.391 4.665 1.00 2.40 O ATOM 0 H LEU A 172 7.851 14.417 5.350 1.00 1.23 H new ATOM 0 HA LEU A 172 5.128 14.304 5.222 1.00 1.37 H new ATOM 0 HB2 LEU A 172 7.215 15.226 7.100 1.00 1.60 H new ATOM 0 HB3 LEU A 172 5.740 16.154 7.287 1.00 1.60 H new ATOM 0 HG LEU A 172 5.953 13.136 7.394 1.00 2.06 H new ATOM 0 HD11 LEU A 172 5.434 13.537 9.851 1.00 2.69 H new ATOM 0 HD12 LEU A 172 6.937 14.358 9.369 1.00 2.69 H new ATOM 0 HD13 LEU A 172 5.430 15.289 9.537 1.00 2.69 H new ATOM 0 HD21 LEU A 172 3.650 13.145 8.269 1.00 2.44 H new ATOM 0 HD22 LEU A 172 3.557 14.901 7.992 1.00 2.44 H new ATOM 0 HD23 LEU A 172 3.735 13.790 6.612 1.00 2.44 H new