USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1242 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 TYR OH : rot 126:sc= 1.19 USER MOD Set 1.2: A 70 GLN : amide:sc= 0.639 K(o=2.5,f=-0.48) USER MOD Set 1.3: A 100 SER OG : rot 167:sc= 0.654 USER MOD Set 2.1: A 59 LYS NZ :NH3+ 152:sc= -0.978 (180deg=-1.29!) USER MOD Set 2.2: A 98 HIS : no HD1:sc= -1.05 K(o=-2,f=-3) USER MOD Set 3.1: A 47 CYS SG : rot -178:sc= 0.522 USER MOD Set 3.2: A 93 TYR OH : rot 0:sc= -0.0582 USER MOD Set 4.1: A 9 THR OG1 : rot 180:sc= 0.163 USER MOD Set 4.2: A 157 LYS NZ :NH3+ -146:sc= 0.773 (180deg=-1.32) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.073 K(o=-0.073,f=-3.8!) USER MOD Single : A 15 LYS NZ :NH3+ -120:sc= -0.487 (180deg=-2.27!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -128:sc= 1.36 USER MOD Single : A 32 GLN : amide:sc= -0.0437 X(o=-0.044,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -155:sc= 1.17 (180deg=0.292!) USER MOD Single : A 45 THR OG1 : rot -140:sc= 1.47 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 138:sc= 1.26 USER MOD Single : A 54 THR OG1 : rot 96:sc= 0.454 USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= 1.2 (180deg=1.06) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 1.13 K(o=1.1,f=-0.41) USER MOD Single : A 79 SER OG : rot 131:sc= 1.34 USER MOD Single : A 95 LYS NZ :NH3+ -120:sc= -0.183 (180deg=-0.867!) USER MOD Single : A 105 SER OG : rot -166:sc= 0.935 USER MOD Single : A 107 SER OG : rot 114:sc= 1.46 USER MOD Single : A 116 GLN : amide:sc= -0.129 K(o=-0.13,f=-6!) USER MOD Single : A 117 THR OG1 : rot 84:sc= 1.26 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 1.16 K(o=1.2,f=-0.29) USER MOD Single : A 124 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0248) USER MOD Single : A 137 HIS : no HE2:sc= 0.316 K(o=0.32,f=-2.8) USER MOD Single : A 138 THR OG1 : rot 124:sc= 0.886 USER MOD Single : A 140 THR OG1 : rot 64:sc= 0.904 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ -179:sc= -0.977 (180deg=-0.983) USER MOD Single : A 153 TYR OH : rot 146:sc= 0.909 USER MOD Single : A 154 SER OG : rot 135:sc= 1.23 USER MOD Single : A 161 THR OG1 : rot -63:sc= 0.781 USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 15.105 5.833 4.586 1.00 1.88 N ATOM 90 CA TYR A 7 15.521 4.423 4.470 1.00 1.75 C ATOM 91 C TYR A 7 14.973 3.655 3.251 1.00 1.63 C ATOM 92 O TYR A 7 15.575 2.654 2.849 1.00 1.66 O ATOM 93 CB TYR A 7 15.129 3.732 5.784 1.00 2.06 C ATOM 94 CG TYR A 7 15.613 2.308 5.975 1.00 1.61 C ATOM 95 CD1 TYR A 7 16.983 2.054 6.191 1.00 2.58 C ATOM 96 CD2 TYR A 7 14.688 1.246 6.041 1.00 2.17 C ATOM 97 CE1 TYR A 7 17.425 0.750 6.487 1.00 3.02 C ATOM 98 CE2 TYR A 7 15.122 -0.058 6.351 1.00 2.33 C ATOM 99 CZ TYR A 7 16.495 -0.309 6.577 1.00 2.38 C ATOM 100 OH TYR A 7 16.927 -1.560 6.894 1.00 3.15 O ATOM 0 HA TYR A 7 16.597 4.413 4.297 1.00 1.75 H new ATOM 0 HB2 TYR A 7 15.507 4.334 6.611 1.00 2.06 H new ATOM 0 HB3 TYR A 7 14.042 3.735 5.859 1.00 2.06 H new ATOM 0 HD1 TYR A 7 17.696 2.863 6.129 1.00 2.58 H new ATOM 0 HD2 TYR A 7 13.641 1.433 5.853 1.00 2.17 H new ATOM 0 HE1 TYR A 7 18.476 0.560 6.645 1.00 3.02 H new ATOM 0 HE2 TYR A 7 14.407 -0.865 6.416 1.00 2.33 H new ATOM 0 HH TYR A 7 16.163 -2.174 6.916 1.00 3.15 H new ATOM 110 N GLY A 8 13.879 4.094 2.624 1.00 1.26 N ATOM 111 CA GLY A 8 13.301 3.466 1.433 1.00 1.02 C ATOM 112 C GLY A 8 14.180 3.659 0.197 1.00 1.03 C ATOM 113 O GLY A 8 15.253 4.264 0.250 1.00 1.32 O ATOM 0 H GLY A 8 13.359 4.914 2.937 1.00 1.26 H new ATOM 0 HA2 GLY A 8 13.163 2.400 1.616 1.00 1.02 H new ATOM 0 HA3 GLY A 8 12.314 3.887 1.245 1.00 1.02 H new ATOM 117 N THR A 9 13.760 3.090 -0.932 1.00 0.82 N ATOM 118 CA THR A 9 14.502 3.179 -2.196 1.00 0.87 C ATOM 119 C THR A 9 13.991 4.401 -2.943 1.00 1.06 C ATOM 120 O THR A 9 12.844 4.434 -3.388 1.00 1.05 O ATOM 121 CB THR A 9 14.360 1.895 -3.010 1.00 1.08 C ATOM 122 OG1 THR A 9 14.732 0.803 -2.189 1.00 1.39 O ATOM 123 CG2 THR A 9 15.261 1.897 -4.246 1.00 1.20 C ATOM 0 H THR A 9 12.895 2.553 -1.000 1.00 0.82 H new ATOM 0 HA THR A 9 15.570 3.291 -2.009 1.00 0.87 H new ATOM 0 HB THR A 9 13.325 1.817 -3.344 1.00 1.08 H new ATOM 0 HG1 THR A 9 14.645 -0.031 -2.695 1.00 1.39 H new ATOM 0 HG21 THR A 9 15.128 0.965 -4.795 1.00 1.20 H new ATOM 0 HG22 THR A 9 14.996 2.737 -4.888 1.00 1.20 H new ATOM 0 HG23 THR A 9 16.302 1.990 -3.937 1.00 1.20 H new ATOM 131 N ARG A 10 14.834 5.429 -3.017 1.00 0.94 N ATOM 132 CA ARG A 10 14.471 6.738 -3.567 1.00 1.08 C ATOM 133 C ARG A 10 14.454 6.705 -5.093 1.00 1.66 C ATOM 134 O ARG A 10 15.321 6.110 -5.725 1.00 2.06 O ATOM 135 CB ARG A 10 15.423 7.825 -3.035 1.00 1.34 C ATOM 136 CG ARG A 10 14.742 9.116 -2.552 1.00 1.32 C ATOM 137 CD ARG A 10 14.207 10.002 -3.680 1.00 2.76 C ATOM 138 NE ARG A 10 13.798 11.322 -3.186 1.00 2.76 N ATOM 139 CZ ARG A 10 13.502 12.372 -3.943 1.00 3.46 C ATOM 140 NH1 ARG A 10 13.513 12.327 -5.258 1.00 4.49 N ATOM 141 NH2 ARG A 10 13.183 13.508 -3.360 1.00 3.84 N ATOM 0 H ARG A 10 15.800 5.378 -2.694 1.00 0.94 H new ATOM 0 HA ARG A 10 13.462 6.985 -3.238 1.00 1.08 H new ATOM 0 HB2 ARG A 10 16.000 7.407 -2.210 1.00 1.34 H new ATOM 0 HB3 ARG A 10 16.132 8.081 -3.822 1.00 1.34 H new ATOM 0 HG2 ARG A 10 13.917 8.853 -1.890 1.00 1.32 H new ATOM 0 HG3 ARG A 10 15.455 9.691 -1.961 1.00 1.32 H new ATOM 0 HD2 ARG A 10 14.975 10.121 -4.444 1.00 2.76 H new ATOM 0 HD3 ARG A 10 13.357 9.512 -4.156 1.00 2.76 H new ATOM 0 HE ARG A 10 13.736 11.443 -2.175 1.00 2.76 H new ATOM 0 HH11 ARG A 10 13.756 11.460 -5.737 1.00 4.49 H new ATOM 0 HH12 ARG A 10 13.278 13.159 -5.799 1.00 4.49 H new ATOM 0 HH21 ARG A 10 13.166 13.572 -2.342 1.00 3.84 H new ATOM 0 HH22 ARG A 10 12.953 14.325 -3.926 1.00 3.84 H new ATOM 155 N LEU A 11 13.483 7.406 -5.673 1.00 1.18 N ATOM 156 CA LEU A 11 13.394 7.656 -7.117 1.00 1.24 C ATOM 157 C LEU A 11 14.013 9.012 -7.483 1.00 1.58 C ATOM 158 O LEU A 11 14.069 9.910 -6.643 1.00 1.91 O ATOM 159 CB LEU A 11 11.922 7.576 -7.565 1.00 1.10 C ATOM 160 CG LEU A 11 11.251 6.212 -7.294 1.00 1.18 C ATOM 161 CD1 LEU A 11 9.811 6.257 -7.808 1.00 1.14 C ATOM 162 CD2 LEU A 11 11.989 5.041 -7.963 1.00 1.32 C ATOM 0 H LEU A 11 12.718 7.827 -5.145 1.00 1.18 H new ATOM 0 HA LEU A 11 13.963 6.890 -7.643 1.00 1.24 H new ATOM 0 HB2 LEU A 11 11.356 8.355 -7.054 1.00 1.10 H new ATOM 0 HB3 LEU A 11 11.867 7.790 -8.632 1.00 1.10 H new ATOM 0 HG LEU A 11 11.281 6.040 -6.218 1.00 1.18 H new ATOM 0 HD11 LEU A 11 9.328 5.298 -7.621 1.00 1.14 H new ATOM 0 HD12 LEU A 11 9.264 7.045 -7.291 1.00 1.14 H new ATOM 0 HD13 LEU A 11 9.813 6.460 -8.879 1.00 1.14 H new ATOM 0 HD21 LEU A 11 11.472 4.108 -7.737 1.00 1.32 H new ATOM 0 HD22 LEU A 11 12.010 5.193 -9.042 1.00 1.32 H new ATOM 0 HD23 LEU A 11 13.010 4.990 -7.584 1.00 1.32 H new ATOM 174 N LEU A 12 14.466 9.172 -8.731 1.00 1.68 N ATOM 175 CA LEU A 12 15.037 10.408 -9.258 1.00 1.82 C ATOM 176 C LEU A 12 13.903 11.358 -9.689 1.00 1.84 C ATOM 177 O LEU A 12 13.369 12.080 -8.850 1.00 2.25 O ATOM 178 CB LEU A 12 16.051 9.992 -10.341 1.00 2.37 C ATOM 179 CG LEU A 12 17.116 11.051 -10.675 1.00 3.07 C ATOM 180 CD1 LEU A 12 18.161 10.365 -11.553 1.00 4.30 C ATOM 181 CD2 LEU A 12 16.542 12.276 -11.392 1.00 4.69 C ATOM 0 H LEU A 12 14.443 8.420 -9.420 1.00 1.68 H new ATOM 0 HA LEU A 12 15.589 10.997 -8.526 1.00 1.82 H new ATOM 0 HB2 LEU A 12 16.555 9.082 -10.015 1.00 2.37 H new ATOM 0 HB3 LEU A 12 15.506 9.746 -11.252 1.00 2.37 H new ATOM 0 HG LEU A 12 17.546 11.430 -9.748 1.00 3.07 H new ATOM 0 HD11 LEU A 12 18.941 11.080 -11.817 1.00 4.30 H new ATOM 0 HD12 LEU A 12 18.603 9.531 -11.008 1.00 4.30 H new ATOM 0 HD13 LEU A 12 17.686 9.994 -12.461 1.00 4.30 H new ATOM 0 HD21 LEU A 12 17.344 12.985 -11.599 1.00 4.69 H new ATOM 0 HD22 LEU A 12 16.080 11.966 -12.329 1.00 4.69 H new ATOM 0 HD23 LEU A 12 15.793 12.751 -10.758 1.00 4.69 H new ATOM 193 N ASN A 13 13.508 11.335 -10.967 1.00 1.66 N ATOM 194 CA ASN A 13 12.336 12.057 -11.474 1.00 1.64 C ATOM 195 C ASN A 13 11.046 11.371 -10.957 1.00 1.46 C ATOM 196 O ASN A 13 10.836 10.199 -11.291 1.00 1.54 O ATOM 197 CB ASN A 13 12.405 12.094 -13.016 1.00 2.09 C ATOM 198 CG ASN A 13 11.294 12.917 -13.667 1.00 3.09 C ATOM 199 OD1 ASN A 13 10.427 13.467 -13.008 1.00 3.94 O ATOM 200 ND2 ASN A 13 11.291 13.040 -14.982 1.00 3.72 N ATOM 0 H ASN A 13 14.000 10.807 -11.688 1.00 1.66 H new ATOM 0 HA ASN A 13 12.323 13.085 -11.113 1.00 1.64 H new ATOM 0 HB2 ASN A 13 13.370 12.502 -13.317 1.00 2.09 H new ATOM 0 HB3 ASN A 13 12.358 11.074 -13.396 1.00 2.09 H new ATOM 0 HD21 ASN A 13 10.567 13.592 -15.441 1.00 3.72 H new ATOM 0 HD22 ASN A 13 12.013 12.583 -15.539 1.00 3.72 H new ATOM 207 N PRO A 14 10.212 12.038 -10.131 1.00 1.27 N ATOM 208 CA PRO A 14 9.070 11.404 -9.483 1.00 1.10 C ATOM 209 C PRO A 14 7.909 11.234 -10.472 1.00 1.26 C ATOM 210 O PRO A 14 7.302 12.192 -10.948 1.00 1.48 O ATOM 211 CB PRO A 14 8.738 12.303 -8.293 1.00 1.21 C ATOM 212 CG PRO A 14 9.174 13.693 -8.761 1.00 1.35 C ATOM 213 CD PRO A 14 10.392 13.397 -9.629 1.00 1.43 C ATOM 0 HA PRO A 14 9.282 10.392 -9.139 1.00 1.10 H new ATOM 0 HB2 PRO A 14 7.675 12.275 -8.054 1.00 1.21 H new ATOM 0 HB3 PRO A 14 9.275 11.995 -7.396 1.00 1.21 H new ATOM 0 HG2 PRO A 14 8.388 14.193 -9.326 1.00 1.35 H new ATOM 0 HG3 PRO A 14 9.425 14.341 -7.921 1.00 1.35 H new ATOM 0 HD2 PRO A 14 10.467 14.109 -10.451 1.00 1.43 H new ATOM 0 HD3 PRO A 14 11.312 13.480 -9.050 1.00 1.43 H new ATOM 221 N LYS A 15 7.608 9.980 -10.808 1.00 0.85 N ATOM 222 CA LYS A 15 6.738 9.659 -11.940 1.00 0.91 C ATOM 223 C LYS A 15 5.246 9.791 -11.546 1.00 1.13 C ATOM 224 O LYS A 15 4.828 9.128 -10.593 1.00 1.24 O ATOM 225 CB LYS A 15 7.157 8.277 -12.470 1.00 1.04 C ATOM 226 CG LYS A 15 6.582 7.887 -13.842 1.00 1.51 C ATOM 227 CD LYS A 15 5.227 7.171 -13.780 1.00 2.07 C ATOM 228 CE LYS A 15 5.364 5.734 -13.260 1.00 2.05 C ATOM 229 NZ LYS A 15 4.046 5.062 -13.230 1.00 2.88 N ATOM 0 H LYS A 15 7.957 9.163 -10.307 1.00 0.85 H new ATOM 0 HA LYS A 15 6.853 10.370 -12.758 1.00 0.91 H new ATOM 0 HB2 LYS A 15 8.245 8.246 -12.530 1.00 1.04 H new ATOM 0 HB3 LYS A 15 6.856 7.523 -11.743 1.00 1.04 H new ATOM 0 HG2 LYS A 15 6.476 8.787 -14.447 1.00 1.51 H new ATOM 0 HG3 LYS A 15 7.297 7.242 -14.352 1.00 1.51 H new ATOM 0 HD2 LYS A 15 4.551 7.729 -13.132 1.00 2.07 H new ATOM 0 HD3 LYS A 15 4.778 7.157 -14.773 1.00 2.07 H new ATOM 0 HE2 LYS A 15 6.049 5.175 -13.898 1.00 2.05 H new ATOM 0 HE3 LYS A 15 5.796 5.743 -12.259 1.00 2.05 H new ATOM 0 HZ1 LYS A 15 3.826 4.773 -12.255 1.00 2.88 H new ATOM 0 HZ2 LYS A 15 3.314 5.718 -13.571 1.00 2.88 H new ATOM 0 HZ3 LYS A 15 4.071 4.222 -13.843 1.00 2.88 H new ATOM 243 N PRO A 16 4.444 10.620 -12.250 1.00 0.88 N ATOM 244 CA PRO A 16 3.059 10.919 -11.885 1.00 0.90 C ATOM 245 C PRO A 16 2.179 9.680 -12.068 1.00 1.08 C ATOM 246 O PRO A 16 2.427 8.887 -12.975 1.00 1.00 O ATOM 247 CB PRO A 16 2.627 12.081 -12.779 1.00 1.08 C ATOM 248 CG PRO A 16 3.529 11.958 -14.007 1.00 1.08 C ATOM 249 CD PRO A 16 4.808 11.312 -13.474 1.00 0.97 C ATOM 0 HA PRO A 16 2.961 11.198 -10.836 1.00 0.90 H new ATOM 0 HB2 PRO A 16 1.573 12.007 -13.049 1.00 1.08 H new ATOM 0 HB3 PRO A 16 2.761 13.040 -12.279 1.00 1.08 H new ATOM 0 HG2 PRO A 16 3.066 11.345 -14.780 1.00 1.08 H new ATOM 0 HG3 PRO A 16 3.731 12.933 -14.451 1.00 1.08 H new ATOM 0 HD2 PRO A 16 5.224 10.617 -14.203 1.00 0.97 H new ATOM 0 HD3 PRO A 16 5.571 12.066 -13.281 1.00 0.97 H new ATOM 257 N VAL A 17 1.176 9.501 -11.206 1.00 0.67 N ATOM 258 CA VAL A 17 0.363 8.275 -11.132 1.00 0.65 C ATOM 259 C VAL A 17 -0.996 8.537 -10.489 1.00 1.10 C ATOM 260 O VAL A 17 -1.086 9.252 -9.492 1.00 1.20 O ATOM 261 CB VAL A 17 1.045 7.137 -10.320 1.00 0.67 C ATOM 262 CG1 VAL A 17 2.225 6.501 -11.068 1.00 0.85 C ATOM 263 CG2 VAL A 17 1.535 7.550 -8.918 1.00 0.80 C ATOM 0 H VAL A 17 0.898 10.211 -10.528 1.00 0.67 H new ATOM 0 HA VAL A 17 0.247 7.959 -12.169 1.00 0.65 H new ATOM 0 HB VAL A 17 0.241 6.411 -10.196 1.00 0.67 H new ATOM 0 HG11 VAL A 17 2.663 5.713 -10.455 1.00 0.85 H new ATOM 0 HG12 VAL A 17 1.873 6.076 -12.008 1.00 0.85 H new ATOM 0 HG13 VAL A 17 2.978 7.262 -11.273 1.00 0.85 H new ATOM 0 HG21 VAL A 17 1.996 6.693 -8.427 1.00 0.80 H new ATOM 0 HG22 VAL A 17 2.267 8.353 -9.010 1.00 0.80 H new ATOM 0 HG23 VAL A 17 0.689 7.897 -8.324 1.00 0.80 H new ATOM 273 N ASP A 18 -2.013 7.827 -10.980 1.00 0.66 N ATOM 274 CA ASP A 18 -3.192 7.468 -10.207 1.00 0.71 C ATOM 275 C ASP A 18 -3.835 6.177 -10.717 1.00 0.83 C ATOM 276 O ASP A 18 -4.040 5.976 -11.911 1.00 1.60 O ATOM 277 CB ASP A 18 -4.201 8.613 -10.038 1.00 1.39 C ATOM 278 CG ASP A 18 -4.887 9.128 -11.305 1.00 1.26 C ATOM 279 OD1 ASP A 18 -4.211 9.798 -12.109 1.00 2.87 O ATOM 280 OD2 ASP A 18 -6.141 9.010 -11.339 1.00 1.95 O ATOM 0 H ASP A 18 -2.036 7.483 -11.940 1.00 0.66 H new ATOM 0 HA ASP A 18 -2.835 7.269 -9.197 1.00 0.71 H new ATOM 0 HB2 ASP A 18 -4.974 8.283 -9.344 1.00 1.39 H new ATOM 0 HB3 ASP A 18 -3.687 9.451 -9.567 1.00 1.39 H new ATOM 285 N PHE A 19 -4.122 5.265 -9.785 1.00 1.13 N ATOM 286 CA PHE A 19 -4.834 4.032 -10.094 1.00 1.12 C ATOM 287 C PHE A 19 -6.348 4.261 -10.078 1.00 1.57 C ATOM 288 O PHE A 19 -6.836 5.211 -9.467 1.00 1.70 O ATOM 289 CB PHE A 19 -4.391 2.908 -9.145 1.00 1.15 C ATOM 290 CG PHE A 19 -4.727 3.074 -7.673 1.00 1.17 C ATOM 291 CD1 PHE A 19 -6.045 2.877 -7.215 1.00 2.19 C ATOM 292 CD2 PHE A 19 -3.713 3.357 -6.739 1.00 2.37 C ATOM 293 CE1 PHE A 19 -6.341 2.954 -5.844 1.00 2.27 C ATOM 294 CE2 PHE A 19 -4.007 3.422 -5.365 1.00 2.29 C ATOM 295 CZ PHE A 19 -5.317 3.208 -4.915 1.00 1.30 C ATOM 0 H PHE A 19 -3.867 5.363 -8.802 1.00 1.13 H new ATOM 0 HA PHE A 19 -4.579 3.714 -11.105 1.00 1.12 H new ATOM 0 HB2 PHE A 19 -4.839 1.976 -9.491 1.00 1.15 H new ATOM 0 HB3 PHE A 19 -3.311 2.795 -9.235 1.00 1.15 H new ATOM 0 HD1 PHE A 19 -6.833 2.665 -7.923 1.00 2.19 H new ATOM 0 HD2 PHE A 19 -2.702 3.525 -7.080 1.00 2.37 H new ATOM 0 HE1 PHE A 19 -7.357 2.818 -5.503 1.00 2.27 H new ATOM 0 HE2 PHE A 19 -3.222 3.637 -4.655 1.00 2.29 H new ATOM 0 HZ PHE A 19 -5.539 3.238 -3.858 1.00 1.30 H new ATOM 305 N ALA A 20 -7.083 3.326 -10.691 1.00 1.00 N ATOM 306 CA ALA A 20 -8.541 3.282 -10.747 1.00 0.98 C ATOM 307 C ALA A 20 -9.036 1.902 -10.285 1.00 0.98 C ATOM 308 O ALA A 20 -9.038 0.955 -11.066 1.00 1.08 O ATOM 309 CB ALA A 20 -8.945 3.598 -12.198 1.00 1.46 C ATOM 0 H ALA A 20 -6.652 2.544 -11.184 1.00 1.00 H new ATOM 0 HA ALA A 20 -8.998 4.013 -10.080 1.00 0.98 H new ATOM 0 HB1 ALA A 20 -10.031 3.576 -12.286 1.00 1.46 H new ATOM 0 HB2 ALA A 20 -8.579 4.588 -12.470 1.00 1.46 H new ATOM 0 HB3 ALA A 20 -8.511 2.854 -12.867 1.00 1.46 H new ATOM 315 N LEU A 21 -9.416 1.784 -9.007 1.00 0.88 N ATOM 316 CA LEU A 21 -9.687 0.518 -8.323 1.00 0.90 C ATOM 317 C LEU A 21 -10.899 0.635 -7.391 1.00 1.06 C ATOM 318 O LEU A 21 -11.341 1.734 -7.072 1.00 1.25 O ATOM 319 CB LEU A 21 -8.400 0.116 -7.580 1.00 1.29 C ATOM 320 CG LEU A 21 -8.397 -1.268 -6.910 1.00 0.97 C ATOM 321 CD1 LEU A 21 -8.678 -2.400 -7.906 1.00 1.66 C ATOM 322 CD2 LEU A 21 -7.035 -1.462 -6.250 1.00 2.01 C ATOM 0 H LEU A 21 -9.547 2.595 -8.402 1.00 0.88 H new ATOM 0 HA LEU A 21 -9.951 -0.261 -9.038 1.00 0.90 H new ATOM 0 HB2 LEU A 21 -7.572 0.154 -8.288 1.00 1.29 H new ATOM 0 HB3 LEU A 21 -8.200 0.866 -6.815 1.00 1.29 H new ATOM 0 HG LEU A 21 -9.198 -1.307 -6.171 1.00 0.97 H new ATOM 0 HD11 LEU A 21 -8.665 -3.356 -7.383 1.00 1.66 H new ATOM 0 HD12 LEU A 21 -9.657 -2.249 -8.362 1.00 1.66 H new ATOM 0 HD13 LEU A 21 -7.912 -2.400 -8.682 1.00 1.66 H new ATOM 0 HD21 LEU A 21 -7.001 -2.437 -5.765 1.00 2.01 H new ATOM 0 HD22 LEU A 21 -6.253 -1.406 -7.007 1.00 2.01 H new ATOM 0 HD23 LEU A 21 -6.877 -0.681 -5.506 1.00 2.01 H new ATOM 334 N GLU A 22 -11.457 -0.494 -6.976 1.00 0.87 N ATOM 335 CA GLU A 22 -12.726 -0.567 -6.267 1.00 0.82 C ATOM 336 C GLU A 22 -12.544 -0.847 -4.770 1.00 1.10 C ATOM 337 O GLU A 22 -11.600 -1.521 -4.348 1.00 1.28 O ATOM 338 CB GLU A 22 -13.566 -1.602 -7.004 1.00 0.84 C ATOM 339 CG GLU A 22 -15.005 -1.743 -6.516 1.00 1.27 C ATOM 340 CD GLU A 22 -15.848 -2.511 -7.534 1.00 2.03 C ATOM 341 OE1 GLU A 22 -15.270 -3.279 -8.340 1.00 2.83 O ATOM 342 OE2 GLU A 22 -17.073 -2.273 -7.515 1.00 2.97 O ATOM 0 H GLU A 22 -11.028 -1.407 -7.127 1.00 0.87 H new ATOM 0 HA GLU A 22 -13.244 0.392 -6.273 1.00 0.82 H new ATOM 0 HB2 GLU A 22 -13.583 -1.345 -8.063 1.00 0.84 H new ATOM 0 HB3 GLU A 22 -13.075 -2.571 -6.919 1.00 0.84 H new ATOM 0 HG2 GLU A 22 -15.020 -2.263 -5.558 1.00 1.27 H new ATOM 0 HG3 GLU A 22 -15.436 -0.756 -6.350 1.00 1.27 H new ATOM 349 N GLY A 23 -13.437 -0.276 -3.959 1.00 0.81 N ATOM 350 CA GLY A 23 -13.470 -0.393 -2.503 1.00 0.79 C ATOM 351 C GLY A 23 -14.896 -0.537 -1.966 1.00 0.83 C ATOM 352 O GLY A 23 -15.850 -0.495 -2.744 1.00 0.92 O ATOM 0 H GLY A 23 -14.192 0.308 -4.319 1.00 0.81 H new ATOM 0 HA2 GLY A 23 -12.879 -1.256 -2.196 1.00 0.79 H new ATOM 0 HA3 GLY A 23 -13.004 0.486 -2.059 1.00 0.79 H new ATOM 356 N PRO A 24 -15.069 -0.641 -0.633 1.00 0.84 N ATOM 357 CA PRO A 24 -16.358 -0.872 0.029 1.00 1.01 C ATOM 358 C PRO A 24 -17.360 0.302 -0.066 1.00 1.32 C ATOM 359 O PRO A 24 -18.374 0.309 0.626 1.00 1.38 O ATOM 360 CB PRO A 24 -15.980 -1.210 1.477 1.00 1.22 C ATOM 361 CG PRO A 24 -14.669 -0.464 1.706 1.00 1.19 C ATOM 362 CD PRO A 24 -13.990 -0.617 0.351 1.00 0.91 C ATOM 0 HA PRO A 24 -16.906 -1.673 -0.467 1.00 1.01 H new ATOM 0 HB2 PRO A 24 -16.751 -0.885 2.176 1.00 1.22 H new ATOM 0 HB3 PRO A 24 -15.856 -2.284 1.616 1.00 1.22 H new ATOM 0 HG2 PRO A 24 -14.833 0.582 1.967 1.00 1.19 H new ATOM 0 HG3 PRO A 24 -14.081 -0.905 2.511 1.00 1.19 H new ATOM 0 HD2 PRO A 24 -13.305 0.210 0.161 1.00 0.91 H new ATOM 0 HD3 PRO A 24 -13.402 -1.534 0.309 1.00 0.91 H new ATOM 370 N GLN A 25 -17.091 1.307 -0.905 1.00 1.33 N ATOM 371 CA GLN A 25 -17.930 2.495 -1.090 1.00 1.53 C ATOM 372 C GLN A 25 -18.081 2.876 -2.577 1.00 1.64 C ATOM 373 O GLN A 25 -18.594 3.956 -2.873 1.00 2.02 O ATOM 374 CB GLN A 25 -17.355 3.663 -0.261 1.00 1.91 C ATOM 375 CG GLN A 25 -17.281 3.360 1.248 1.00 2.28 C ATOM 376 CD GLN A 25 -16.848 4.574 2.063 1.00 2.85 C ATOM 377 OE1 GLN A 25 -15.673 4.813 2.287 1.00 3.65 O ATOM 378 NE2 GLN A 25 -17.767 5.392 2.535 1.00 3.35 N ATOM 0 H GLN A 25 -16.257 1.316 -1.492 1.00 1.33 H new ATOM 0 HA GLN A 25 -18.934 2.266 -0.733 1.00 1.53 H new ATOM 0 HB2 GLN A 25 -16.356 3.902 -0.626 1.00 1.91 H new ATOM 0 HB3 GLN A 25 -17.971 4.548 -0.417 1.00 1.91 H new ATOM 0 HG2 GLN A 25 -18.257 3.021 1.596 1.00 2.28 H new ATOM 0 HG3 GLN A 25 -16.580 2.543 1.418 1.00 2.28 H new ATOM 0 HE21 GLN A 25 -18.754 5.207 2.357 1.00 3.35 H new ATOM 0 HE22 GLN A 25 -17.491 6.210 3.078 1.00 3.35 H new ATOM 387 N GLY A 26 -17.634 2.022 -3.513 1.00 1.22 N ATOM 388 CA GLY A 26 -17.558 2.315 -4.948 1.00 1.39 C ATOM 389 C GLY A 26 -16.115 2.422 -5.475 1.00 1.42 C ATOM 390 O GLY A 26 -15.160 2.153 -4.737 1.00 1.48 O ATOM 0 H GLY A 26 -17.307 1.084 -3.282 1.00 1.22 H new ATOM 0 HA2 GLY A 26 -18.081 1.533 -5.499 1.00 1.39 H new ATOM 0 HA3 GLY A 26 -18.080 3.250 -5.148 1.00 1.39 H new ATOM 394 N PRO A 27 -15.940 2.762 -6.768 1.00 1.38 N ATOM 395 CA PRO A 27 -14.635 2.929 -7.399 1.00 1.43 C ATOM 396 C PRO A 27 -13.923 4.206 -6.938 1.00 1.49 C ATOM 397 O PRO A 27 -14.446 5.311 -7.061 1.00 1.72 O ATOM 398 CB PRO A 27 -14.894 2.919 -8.906 1.00 1.59 C ATOM 399 CG PRO A 27 -16.333 3.423 -9.024 1.00 1.67 C ATOM 400 CD PRO A 27 -17.001 2.904 -7.751 1.00 1.54 C ATOM 0 HA PRO A 27 -13.958 2.124 -7.114 1.00 1.43 H new ATOM 0 HB2 PRO A 27 -14.197 3.567 -9.437 1.00 1.59 H new ATOM 0 HB3 PRO A 27 -14.783 1.919 -9.326 1.00 1.59 H new ATOM 0 HG2 PRO A 27 -16.373 4.511 -9.083 1.00 1.67 H new ATOM 0 HG3 PRO A 27 -16.821 3.037 -9.919 1.00 1.67 H new ATOM 0 HD2 PRO A 27 -17.766 3.598 -7.402 1.00 1.54 H new ATOM 0 HD3 PRO A 27 -17.495 1.949 -7.932 1.00 1.54 H new ATOM 408 N VAL A 28 -12.689 4.030 -6.472 1.00 0.92 N ATOM 409 CA VAL A 28 -11.770 5.041 -5.929 1.00 0.89 C ATOM 410 C VAL A 28 -10.653 5.312 -6.947 1.00 1.12 C ATOM 411 O VAL A 28 -10.248 4.414 -7.690 1.00 1.11 O ATOM 412 CB VAL A 28 -11.167 4.547 -4.585 1.00 1.01 C ATOM 413 CG1 VAL A 28 -10.178 5.558 -3.976 1.00 1.38 C ATOM 414 CG2 VAL A 28 -12.264 4.265 -3.544 1.00 1.54 C ATOM 0 H VAL A 28 -12.266 3.102 -6.461 1.00 0.92 H new ATOM 0 HA VAL A 28 -12.317 5.965 -5.742 1.00 0.89 H new ATOM 0 HB VAL A 28 -10.634 3.627 -4.826 1.00 1.01 H new ATOM 0 HG11 VAL A 28 -9.786 5.164 -3.038 1.00 1.38 H new ATOM 0 HG12 VAL A 28 -9.355 5.726 -4.671 1.00 1.38 H new ATOM 0 HG13 VAL A 28 -10.692 6.501 -3.787 1.00 1.38 H new ATOM 0 HG21 VAL A 28 -11.806 3.921 -2.617 1.00 1.54 H new ATOM 0 HG22 VAL A 28 -12.828 5.178 -3.354 1.00 1.54 H new ATOM 0 HG23 VAL A 28 -12.936 3.496 -3.923 1.00 1.54 H new ATOM 424 N ARG A 29 -10.128 6.546 -6.980 1.00 0.80 N ATOM 425 CA ARG A 29 -8.936 6.895 -7.765 1.00 0.77 C ATOM 426 C ARG A 29 -7.904 7.592 -6.886 1.00 1.16 C ATOM 427 O ARG A 29 -8.265 8.450 -6.089 1.00 1.48 O ATOM 428 CB ARG A 29 -9.296 7.775 -8.971 1.00 0.90 C ATOM 429 CG ARG A 29 -10.001 6.941 -10.046 1.00 1.13 C ATOM 430 CD ARG A 29 -10.594 7.807 -11.165 1.00 1.48 C ATOM 431 NE ARG A 29 -11.282 6.985 -12.183 1.00 2.83 N ATOM 432 CZ ARG A 29 -12.384 6.258 -12.014 1.00 4.22 C ATOM 433 NH1 ARG A 29 -13.030 6.234 -10.866 1.00 4.87 N ATOM 434 NH2 ARG A 29 -12.844 5.530 -13.013 1.00 5.77 N ATOM 0 H ARG A 29 -10.520 7.332 -6.461 1.00 0.80 H new ATOM 0 HA ARG A 29 -8.505 5.969 -8.145 1.00 0.77 H new ATOM 0 HB2 ARG A 29 -9.943 8.593 -8.653 1.00 0.90 H new ATOM 0 HB3 ARG A 29 -8.393 8.225 -9.384 1.00 0.90 H new ATOM 0 HG2 ARG A 29 -9.292 6.233 -10.475 1.00 1.13 H new ATOM 0 HG3 ARG A 29 -10.796 6.355 -9.584 1.00 1.13 H new ATOM 0 HD2 ARG A 29 -11.297 8.522 -10.738 1.00 1.48 H new ATOM 0 HD3 ARG A 29 -9.800 8.384 -11.639 1.00 1.48 H new ATOM 0 HE ARG A 29 -10.868 6.974 -13.115 1.00 2.83 H new ATOM 0 HH11 ARG A 29 -12.688 6.782 -10.077 1.00 4.87 H new ATOM 0 HH12 ARG A 29 -13.872 5.667 -10.766 1.00 4.87 H new ATOM 0 HH21 ARG A 29 -12.356 5.526 -13.909 1.00 5.77 H new ATOM 0 HH22 ARG A 29 -13.688 4.971 -12.890 1.00 5.77 H new ATOM 448 N LEU A 30 -6.625 7.240 -7.029 1.00 0.60 N ATOM 449 CA LEU A 30 -5.527 7.766 -6.199 1.00 0.62 C ATOM 450 C LEU A 30 -5.333 9.291 -6.339 1.00 1.02 C ATOM 451 O LEU A 30 -4.900 9.953 -5.405 1.00 1.16 O ATOM 452 CB LEU A 30 -4.282 6.943 -6.558 1.00 0.84 C ATOM 453 CG LEU A 30 -2.929 7.390 -5.976 1.00 0.88 C ATOM 454 CD1 LEU A 30 -2.926 7.394 -4.444 1.00 2.06 C ATOM 455 CD2 LEU A 30 -1.846 6.421 -6.468 1.00 2.07 C ATOM 0 H LEU A 30 -6.313 6.572 -7.734 1.00 0.60 H new ATOM 0 HA LEU A 30 -5.756 7.653 -5.139 1.00 0.62 H new ATOM 0 HB2 LEU A 30 -4.458 5.915 -6.242 1.00 0.84 H new ATOM 0 HB3 LEU A 30 -4.191 6.931 -7.644 1.00 0.84 H new ATOM 0 HG LEU A 30 -2.739 8.410 -6.310 1.00 0.88 H new ATOM 0 HD11 LEU A 30 -1.949 7.716 -4.083 1.00 2.06 H new ATOM 0 HD12 LEU A 30 -3.692 8.079 -4.080 1.00 2.06 H new ATOM 0 HD13 LEU A 30 -3.135 6.389 -4.077 1.00 2.06 H new ATOM 0 HD21 LEU A 30 -0.879 6.722 -6.066 1.00 2.07 H new ATOM 0 HD22 LEU A 30 -2.081 5.411 -6.131 1.00 2.07 H new ATOM 0 HD23 LEU A 30 -1.808 6.441 -7.557 1.00 2.07 H new ATOM 467 N SER A 31 -5.746 9.867 -7.462 1.00 0.88 N ATOM 468 CA SER A 31 -5.884 11.308 -7.700 1.00 1.09 C ATOM 469 C SER A 31 -6.787 12.018 -6.671 1.00 1.33 C ATOM 470 O SER A 31 -6.531 13.180 -6.357 1.00 1.83 O ATOM 471 CB SER A 31 -6.381 11.526 -9.143 1.00 1.22 C ATOM 472 OG SER A 31 -7.313 10.532 -9.557 1.00 1.49 O ATOM 0 H SER A 31 -6.009 9.315 -8.279 1.00 0.88 H new ATOM 0 HA SER A 31 -4.903 11.766 -7.572 1.00 1.09 H new ATOM 0 HB2 SER A 31 -6.846 12.509 -9.219 1.00 1.22 H new ATOM 0 HB3 SER A 31 -5.528 11.524 -9.821 1.00 1.22 H new ATOM 0 HG SER A 31 -7.027 10.152 -10.414 1.00 1.49 H new ATOM 478 N GLN A 32 -7.744 11.322 -6.039 1.00 1.00 N ATOM 479 CA GLN A 32 -8.520 11.834 -4.895 1.00 1.09 C ATOM 480 C GLN A 32 -7.628 12.224 -3.703 1.00 1.45 C ATOM 481 O GLN A 32 -8.059 13.005 -2.862 1.00 1.61 O ATOM 482 CB GLN A 32 -9.522 10.767 -4.398 1.00 1.12 C ATOM 483 CG GLN A 32 -10.655 10.380 -5.368 1.00 1.51 C ATOM 484 CD GLN A 32 -11.816 11.371 -5.424 1.00 2.13 C ATOM 485 OE1 GLN A 32 -12.229 11.808 -6.483 1.00 2.97 O ATOM 486 NE2 GLN A 32 -12.410 11.749 -4.310 1.00 2.38 N ATOM 0 H GLN A 32 -8.006 10.374 -6.311 1.00 1.00 H new ATOM 0 HA GLN A 32 -9.038 12.722 -5.257 1.00 1.09 H new ATOM 0 HB2 GLN A 32 -8.963 9.865 -4.149 1.00 1.12 H new ATOM 0 HB3 GLN A 32 -9.973 11.128 -3.474 1.00 1.12 H new ATOM 0 HG2 GLN A 32 -10.237 10.274 -6.369 1.00 1.51 H new ATOM 0 HG3 GLN A 32 -11.043 9.403 -5.080 1.00 1.51 H new ATOM 0 HE21 GLN A 32 -12.081 11.396 -3.411 1.00 2.38 H new ATOM 0 HE22 GLN A 32 -13.199 12.395 -4.346 1.00 2.38 H new ATOM 495 N PHE A 33 -6.409 11.680 -3.617 1.00 0.97 N ATOM 496 CA PHE A 33 -5.464 11.842 -2.517 1.00 1.07 C ATOM 497 C PHE A 33 -4.150 12.490 -2.994 1.00 2.10 C ATOM 498 O PHE A 33 -3.108 12.229 -2.401 1.00 2.55 O ATOM 499 CB PHE A 33 -5.199 10.457 -1.893 1.00 1.25 C ATOM 500 CG PHE A 33 -6.418 9.738 -1.353 1.00 0.99 C ATOM 501 CD1 PHE A 33 -6.812 9.923 -0.012 1.00 2.23 C ATOM 502 CD2 PHE A 33 -7.149 8.866 -2.182 1.00 1.86 C ATOM 503 CE1 PHE A 33 -7.937 9.251 0.491 1.00 2.41 C ATOM 504 CE2 PHE A 33 -8.274 8.191 -1.675 1.00 1.72 C ATOM 505 CZ PHE A 33 -8.672 8.386 -0.340 1.00 1.37 C ATOM 0 H PHE A 33 -6.039 11.083 -4.356 1.00 0.97 H new ATOM 0 HA PHE A 33 -5.892 12.510 -1.769 1.00 1.07 H new ATOM 0 HB2 PHE A 33 -4.729 9.823 -2.645 1.00 1.25 H new ATOM 0 HB3 PHE A 33 -4.480 10.575 -1.082 1.00 1.25 H new ATOM 0 HD1 PHE A 33 -6.247 10.583 0.630 1.00 2.23 H new ATOM 0 HD2 PHE A 33 -6.846 8.715 -3.208 1.00 1.86 H new ATOM 0 HE1 PHE A 33 -8.239 9.398 1.517 1.00 2.41 H new ATOM 0 HE2 PHE A 33 -8.833 7.522 -2.312 1.00 1.72 H new ATOM 0 HZ PHE A 33 -9.540 7.873 0.046 1.00 1.37 H new ATOM 515 N GLN A 34 -4.147 13.271 -4.086 1.00 0.90 N ATOM 516 CA GLN A 34 -2.897 13.714 -4.728 1.00 1.04 C ATOM 517 C GLN A 34 -1.973 14.554 -3.829 1.00 1.35 C ATOM 518 O GLN A 34 -0.765 14.465 -3.986 1.00 2.07 O ATOM 519 CB GLN A 34 -3.169 14.427 -6.071 1.00 1.13 C ATOM 520 CG GLN A 34 -3.972 15.737 -5.974 1.00 1.60 C ATOM 521 CD GLN A 34 -3.791 16.622 -7.208 1.00 2.17 C ATOM 522 OE1 GLN A 34 -4.640 16.713 -8.080 1.00 2.44 O ATOM 523 NE2 GLN A 34 -2.685 17.332 -7.323 1.00 2.99 N ATOM 0 H GLN A 34 -4.994 13.609 -4.543 1.00 0.90 H new ATOM 0 HA GLN A 34 -2.345 12.794 -4.924 1.00 1.04 H new ATOM 0 HB2 GLN A 34 -2.213 14.642 -6.549 1.00 1.13 H new ATOM 0 HB3 GLN A 34 -3.705 13.740 -6.725 1.00 1.13 H new ATOM 0 HG2 GLN A 34 -5.029 15.504 -5.849 1.00 1.60 H new ATOM 0 HG3 GLN A 34 -3.660 16.287 -5.086 1.00 1.60 H new ATOM 0 HE21 GLN A 34 -1.963 17.271 -6.605 1.00 2.99 H new ATOM 0 HE22 GLN A 34 -2.552 17.942 -8.129 1.00 2.99 H new ATOM 532 N ASP A 35 -2.502 15.328 -2.878 1.00 1.10 N ATOM 533 CA ASP A 35 -1.736 16.017 -1.822 1.00 1.40 C ATOM 534 C ASP A 35 -0.935 15.037 -0.939 1.00 1.77 C ATOM 535 O ASP A 35 0.169 15.338 -0.483 1.00 2.34 O ATOM 536 CB ASP A 35 -2.758 16.802 -0.967 1.00 1.64 C ATOM 537 CG ASP A 35 -2.228 17.303 0.388 1.00 2.84 C ATOM 538 OD1 ASP A 35 -1.163 17.957 0.419 1.00 4.00 O ATOM 539 OD2 ASP A 35 -2.877 17.017 1.425 1.00 3.44 O ATOM 0 H ASP A 35 -3.505 15.501 -2.815 1.00 1.10 H new ATOM 0 HA ASP A 35 -1.000 16.679 -2.278 1.00 1.40 H new ATOM 0 HB2 ASP A 35 -3.107 17.659 -1.542 1.00 1.64 H new ATOM 0 HB3 ASP A 35 -3.624 16.165 -0.788 1.00 1.64 H new ATOM 544 N LYS A 36 -1.510 13.865 -0.670 1.00 1.27 N ATOM 545 CA LYS A 36 -1.178 13.040 0.489 1.00 1.33 C ATOM 546 C LYS A 36 -0.199 11.894 0.202 1.00 1.63 C ATOM 547 O LYS A 36 0.089 11.530 -0.939 1.00 1.97 O ATOM 548 CB LYS A 36 -2.474 12.620 1.188 1.00 1.24 C ATOM 549 CG LYS A 36 -3.156 13.886 1.707 1.00 1.59 C ATOM 550 CD LYS A 36 -3.946 13.587 2.966 1.00 1.52 C ATOM 551 CE LYS A 36 -5.137 14.525 3.072 1.00 1.59 C ATOM 552 NZ LYS A 36 -4.721 15.932 3.302 1.00 1.93 N ATOM 0 H LYS A 36 -2.232 13.456 -1.263 1.00 1.27 H new ATOM 0 HA LYS A 36 -0.599 13.647 1.185 1.00 1.33 H new ATOM 0 HB2 LYS A 36 -3.128 12.091 0.495 1.00 1.24 H new ATOM 0 HB3 LYS A 36 -2.261 11.937 2.010 1.00 1.24 H new ATOM 0 HG2 LYS A 36 -2.407 14.651 1.914 1.00 1.59 H new ATOM 0 HG3 LYS A 36 -3.819 14.288 0.942 1.00 1.59 H new ATOM 0 HD2 LYS A 36 -4.289 12.552 2.952 1.00 1.52 H new ATOM 0 HD3 LYS A 36 -3.306 13.699 3.841 1.00 1.52 H new ATOM 0 HE2 LYS A 36 -5.726 14.467 2.157 1.00 1.59 H new ATOM 0 HE3 LYS A 36 -5.782 14.200 3.888 1.00 1.59 H new ATOM 0 HZ1 LYS A 36 -5.489 16.448 3.776 1.00 1.93 H new ATOM 0 HZ2 LYS A 36 -3.871 15.949 3.901 1.00 1.93 H new ATOM 0 HZ3 LYS A 36 -4.511 16.385 2.390 1.00 1.93 H new ATOM 566 N VAL A 37 0.357 11.367 1.288 1.00 1.30 N ATOM 567 CA VAL A 37 1.544 10.519 1.355 1.00 1.23 C ATOM 568 C VAL A 37 1.016 9.090 1.453 1.00 1.59 C ATOM 569 O VAL A 37 0.842 8.533 2.536 1.00 2.16 O ATOM 570 CB VAL A 37 2.470 10.910 2.543 1.00 1.13 C ATOM 571 CG1 VAL A 37 3.867 10.310 2.331 1.00 1.30 C ATOM 572 CG2 VAL A 37 2.612 12.435 2.720 1.00 1.16 C ATOM 0 H VAL A 37 -0.039 11.533 2.213 1.00 1.30 H new ATOM 0 HA VAL A 37 2.178 10.636 0.476 1.00 1.23 H new ATOM 0 HB VAL A 37 2.004 10.512 3.444 1.00 1.13 H new ATOM 0 HG11 VAL A 37 4.512 10.586 3.165 1.00 1.30 H new ATOM 0 HG12 VAL A 37 3.792 9.224 2.275 1.00 1.30 H new ATOM 0 HG13 VAL A 37 4.290 10.693 1.403 1.00 1.30 H new ATOM 0 HG21 VAL A 37 3.270 12.644 3.564 1.00 1.16 H new ATOM 0 HG22 VAL A 37 3.036 12.869 1.814 1.00 1.16 H new ATOM 0 HG23 VAL A 37 1.631 12.872 2.907 1.00 1.16 H new ATOM 582 N VAL A 38 0.634 8.541 0.304 1.00 0.97 N ATOM 583 CA VAL A 38 -0.205 7.338 0.230 1.00 0.86 C ATOM 584 C VAL A 38 0.697 6.116 0.129 1.00 1.11 C ATOM 585 O VAL A 38 1.555 6.037 -0.757 1.00 1.15 O ATOM 586 CB VAL A 38 -1.196 7.377 -0.956 1.00 0.88 C ATOM 587 CG1 VAL A 38 -1.981 6.056 -1.076 1.00 1.14 C ATOM 588 CG2 VAL A 38 -2.200 8.529 -0.782 1.00 1.02 C ATOM 0 H VAL A 38 0.896 8.915 -0.608 1.00 0.97 H new ATOM 0 HA VAL A 38 -0.810 7.290 1.136 1.00 0.86 H new ATOM 0 HB VAL A 38 -0.608 7.527 -1.861 1.00 0.88 H new ATOM 0 HG11 VAL A 38 -2.669 6.117 -1.919 1.00 1.14 H new ATOM 0 HG12 VAL A 38 -1.285 5.232 -1.234 1.00 1.14 H new ATOM 0 HG13 VAL A 38 -2.545 5.884 -0.160 1.00 1.14 H new ATOM 0 HG21 VAL A 38 -2.890 8.541 -1.626 1.00 1.02 H new ATOM 0 HG22 VAL A 38 -2.760 8.387 0.142 1.00 1.02 H new ATOM 0 HG23 VAL A 38 -1.663 9.476 -0.739 1.00 1.02 H new ATOM 598 N LEU A 39 0.472 5.181 1.058 1.00 0.79 N ATOM 599 CA LEU A 39 1.162 3.899 1.210 1.00 0.75 C ATOM 600 C LEU A 39 0.313 2.793 0.583 1.00 1.22 C ATOM 601 O LEU A 39 -0.676 2.340 1.163 1.00 1.37 O ATOM 602 CB LEU A 39 1.368 3.643 2.718 1.00 0.71 C ATOM 603 CG LEU A 39 2.548 4.421 3.332 1.00 0.82 C ATOM 604 CD1 LEU A 39 2.327 4.631 4.836 1.00 1.60 C ATOM 605 CD2 LEU A 39 3.859 3.656 3.103 1.00 1.34 C ATOM 0 H LEU A 39 -0.246 5.310 1.771 1.00 0.79 H new ATOM 0 HA LEU A 39 2.130 3.914 0.708 1.00 0.75 H new ATOM 0 HB2 LEU A 39 0.455 3.910 3.249 1.00 0.71 H new ATOM 0 HB3 LEU A 39 1.528 2.576 2.876 1.00 0.71 H new ATOM 0 HG LEU A 39 2.611 5.395 2.846 1.00 0.82 H new ATOM 0 HD11 LEU A 39 3.169 5.182 5.254 1.00 1.60 H new ATOM 0 HD12 LEU A 39 1.409 5.197 4.993 1.00 1.60 H new ATOM 0 HD13 LEU A 39 2.245 3.663 5.330 1.00 1.60 H new ATOM 0 HD21 LEU A 39 4.687 4.214 3.540 1.00 1.34 H new ATOM 0 HD22 LEU A 39 3.794 2.675 3.573 1.00 1.34 H new ATOM 0 HD23 LEU A 39 4.028 3.536 2.033 1.00 1.34 H new ATOM 617 N LEU A 40 0.699 2.370 -0.618 1.00 0.69 N ATOM 618 CA LEU A 40 -0.027 1.379 -1.411 1.00 0.64 C ATOM 619 C LEU A 40 0.730 0.044 -1.352 1.00 1.02 C ATOM 620 O LEU A 40 1.875 -0.022 -1.799 1.00 1.25 O ATOM 621 CB LEU A 40 -0.128 1.956 -2.836 1.00 0.62 C ATOM 622 CG LEU A 40 -1.173 1.330 -3.772 1.00 1.23 C ATOM 623 CD1 LEU A 40 -0.904 1.871 -5.180 1.00 2.39 C ATOM 624 CD2 LEU A 40 -1.147 -0.198 -3.810 1.00 3.24 C ATOM 0 H LEU A 40 1.543 2.713 -1.078 1.00 0.69 H new ATOM 0 HA LEU A 40 -1.031 1.180 -1.037 1.00 0.64 H new ATOM 0 HB2 LEU A 40 -0.342 3.022 -2.755 1.00 0.62 H new ATOM 0 HB3 LEU A 40 0.849 1.862 -3.309 1.00 0.62 H new ATOM 0 HG LEU A 40 -2.159 1.600 -3.394 1.00 1.23 H new ATOM 0 HD11 LEU A 40 -1.628 1.448 -5.877 1.00 2.39 H new ATOM 0 HD12 LEU A 40 -0.995 2.957 -5.176 1.00 2.39 H new ATOM 0 HD13 LEU A 40 0.103 1.593 -5.490 1.00 2.39 H new ATOM 0 HD21 LEU A 40 -1.915 -0.558 -4.494 1.00 3.24 H new ATOM 0 HD22 LEU A 40 -0.169 -0.537 -4.152 1.00 3.24 H new ATOM 0 HD23 LEU A 40 -1.338 -0.590 -2.811 1.00 3.24 H new ATOM 636 N PHE A 41 0.101 -1.009 -0.821 1.00 0.66 N ATOM 637 CA PHE A 41 0.681 -2.351 -0.688 1.00 0.70 C ATOM 638 C PHE A 41 -0.164 -3.389 -1.443 1.00 1.45 C ATOM 639 O PHE A 41 -1.389 -3.422 -1.287 1.00 1.74 O ATOM 640 CB PHE A 41 0.783 -2.685 0.811 1.00 0.77 C ATOM 641 CG PHE A 41 1.294 -4.076 1.154 1.00 0.99 C ATOM 642 CD1 PHE A 41 2.544 -4.519 0.681 1.00 2.24 C ATOM 643 CD2 PHE A 41 0.536 -4.920 1.992 1.00 1.91 C ATOM 644 CE1 PHE A 41 3.024 -5.791 1.040 1.00 2.23 C ATOM 645 CE2 PHE A 41 1.017 -6.192 2.351 1.00 2.02 C ATOM 646 CZ PHE A 41 2.264 -6.629 1.873 1.00 1.22 C ATOM 0 H PHE A 41 -0.852 -0.951 -0.462 1.00 0.66 H new ATOM 0 HA PHE A 41 1.676 -2.376 -1.132 1.00 0.70 H new ATOM 0 HB2 PHE A 41 1.439 -1.953 1.282 1.00 0.77 H new ATOM 0 HB3 PHE A 41 -0.204 -2.562 1.258 1.00 0.77 H new ATOM 0 HD1 PHE A 41 3.135 -3.881 0.041 1.00 2.24 H new ATOM 0 HD2 PHE A 41 -0.423 -4.587 2.361 1.00 1.91 H new ATOM 0 HE1 PHE A 41 3.983 -6.126 0.673 1.00 2.23 H new ATOM 0 HE2 PHE A 41 0.429 -6.832 2.993 1.00 2.02 H new ATOM 0 HZ PHE A 41 2.637 -7.605 2.145 1.00 1.22 H new ATOM 656 N PHE A 42 0.503 -4.248 -2.224 1.00 0.74 N ATOM 657 CA PHE A 42 -0.139 -5.287 -3.036 1.00 0.75 C ATOM 658 C PHE A 42 -0.091 -6.639 -2.301 1.00 1.85 C ATOM 659 O PHE A 42 0.983 -7.167 -2.005 1.00 2.25 O ATOM 660 CB PHE A 42 0.519 -5.355 -4.422 1.00 0.81 C ATOM 661 CG PHE A 42 0.189 -4.178 -5.327 1.00 0.90 C ATOM 662 CD1 PHE A 42 0.917 -2.975 -5.228 1.00 1.90 C ATOM 663 CD2 PHE A 42 -0.842 -4.288 -6.280 1.00 2.04 C ATOM 664 CE1 PHE A 42 0.644 -1.911 -6.108 1.00 1.99 C ATOM 665 CE2 PHE A 42 -1.130 -3.214 -7.143 1.00 1.92 C ATOM 666 CZ PHE A 42 -0.382 -2.029 -7.061 1.00 1.12 C ATOM 0 H PHE A 42 1.519 -4.240 -2.310 1.00 0.74 H new ATOM 0 HA PHE A 42 -1.189 -5.037 -3.186 1.00 0.75 H new ATOM 0 HB2 PHE A 42 1.600 -5.410 -4.296 1.00 0.81 H new ATOM 0 HB3 PHE A 42 0.208 -6.276 -4.915 1.00 0.81 H new ATOM 0 HD1 PHE A 42 1.685 -2.870 -4.476 1.00 1.90 H new ATOM 0 HD2 PHE A 42 -1.415 -5.201 -6.349 1.00 2.04 H new ATOM 0 HE1 PHE A 42 1.224 -1.002 -6.051 1.00 1.99 H new ATOM 0 HE2 PHE A 42 -1.926 -3.302 -7.868 1.00 1.92 H new ATOM 0 HZ PHE A 42 -0.595 -1.208 -7.730 1.00 1.12 H new ATOM 676 N GLY A 43 -1.287 -7.134 -1.963 1.00 0.76 N ATOM 677 CA GLY A 43 -1.563 -8.207 -1.006 1.00 0.70 C ATOM 678 C GLY A 43 -2.712 -9.156 -1.375 1.00 0.83 C ATOM 679 O GLY A 43 -3.322 -9.088 -2.437 1.00 1.18 O ATOM 0 H GLY A 43 -2.144 -6.770 -2.380 1.00 0.76 H new ATOM 0 HA2 GLY A 43 -0.656 -8.798 -0.881 1.00 0.70 H new ATOM 0 HA3 GLY A 43 -1.786 -7.756 -0.039 1.00 0.70 H new ATOM 683 N PHE A 44 -3.005 -10.069 -0.449 1.00 0.83 N ATOM 684 CA PHE A 44 -3.920 -11.190 -0.639 1.00 0.86 C ATOM 685 C PHE A 44 -4.341 -11.682 0.752 1.00 1.58 C ATOM 686 O PHE A 44 -3.461 -11.947 1.573 1.00 2.29 O ATOM 687 CB PHE A 44 -3.121 -12.232 -1.446 1.00 1.09 C ATOM 688 CG PHE A 44 -3.765 -13.562 -1.755 1.00 1.27 C ATOM 689 CD1 PHE A 44 -5.088 -13.633 -2.224 1.00 2.43 C ATOM 690 CD2 PHE A 44 -2.979 -14.729 -1.684 1.00 2.63 C ATOM 691 CE1 PHE A 44 -5.617 -14.871 -2.624 1.00 3.34 C ATOM 692 CE2 PHE A 44 -3.504 -15.960 -2.102 1.00 3.25 C ATOM 693 CZ PHE A 44 -4.827 -16.030 -2.576 1.00 3.33 C ATOM 0 H PHE A 44 -2.597 -10.046 0.485 1.00 0.83 H new ATOM 0 HA PHE A 44 -4.836 -10.950 -1.179 1.00 0.86 H new ATOM 0 HB2 PHE A 44 -2.842 -11.772 -2.394 1.00 1.09 H new ATOM 0 HB3 PHE A 44 -2.196 -12.431 -0.904 1.00 1.09 H new ATOM 0 HD1 PHE A 44 -5.694 -12.741 -2.276 1.00 2.43 H new ATOM 0 HD2 PHE A 44 -1.969 -14.675 -1.306 1.00 2.63 H new ATOM 0 HE1 PHE A 44 -6.638 -14.931 -2.971 1.00 3.34 H new ATOM 0 HE2 PHE A 44 -2.895 -16.851 -2.060 1.00 3.25 H new ATOM 0 HZ PHE A 44 -5.234 -16.975 -2.903 1.00 3.33 H new ATOM 703 N THR A 45 -5.644 -11.771 1.072 1.00 1.16 N ATOM 704 CA THR A 45 -6.088 -12.126 2.445 1.00 1.39 C ATOM 705 C THR A 45 -5.665 -13.522 2.863 1.00 1.90 C ATOM 706 O THR A 45 -5.445 -13.740 4.052 1.00 2.29 O ATOM 707 CB THR A 45 -7.595 -11.984 2.663 1.00 1.51 C ATOM 708 OG1 THR A 45 -8.307 -12.663 1.655 1.00 2.19 O ATOM 709 CG2 THR A 45 -8.005 -10.513 2.715 1.00 1.30 C ATOM 0 H THR A 45 -6.405 -11.606 0.413 1.00 1.16 H new ATOM 0 HA THR A 45 -5.581 -11.395 3.074 1.00 1.39 H new ATOM 0 HB THR A 45 -7.842 -12.436 3.624 1.00 1.51 H new ATOM 0 HG1 THR A 45 -9.089 -12.133 1.393 1.00 2.19 H new ATOM 0 HG21 THR A 45 -9.081 -10.441 2.871 1.00 1.30 H new ATOM 0 HG22 THR A 45 -7.485 -10.019 3.536 1.00 1.30 H new ATOM 0 HG23 THR A 45 -7.741 -10.028 1.775 1.00 1.30 H new ATOM 717 N ARG A 46 -5.460 -14.444 1.915 1.00 2.11 N ATOM 718 CA ARG A 46 -4.821 -15.759 2.118 1.00 2.43 C ATOM 719 C ARG A 46 -3.289 -15.585 2.311 1.00 2.21 C ATOM 720 O ARG A 46 -2.472 -16.217 1.644 1.00 3.14 O ATOM 721 CB ARG A 46 -5.153 -16.682 0.930 1.00 2.85 C ATOM 722 CG ARG A 46 -6.640 -16.822 0.536 1.00 3.74 C ATOM 723 CD ARG A 46 -7.408 -17.870 1.348 1.00 4.09 C ATOM 724 NE ARG A 46 -7.142 -19.228 0.846 1.00 4.94 N ATOM 725 CZ ARG A 46 -6.567 -20.253 1.452 1.00 5.32 C ATOM 726 NH1 ARG A 46 -6.107 -20.165 2.681 1.00 5.24 N ATOM 727 NH2 ARG A 46 -6.463 -21.394 0.817 1.00 6.40 N ATOM 0 H ARG A 46 -5.744 -14.293 0.947 1.00 2.11 H new ATOM 0 HA ARG A 46 -5.210 -16.225 3.023 1.00 2.43 H new ATOM 0 HB2 ARG A 46 -4.606 -16.321 0.059 1.00 2.85 H new ATOM 0 HB3 ARG A 46 -4.769 -17.676 1.158 1.00 2.85 H new ATOM 0 HG2 ARG A 46 -7.129 -15.855 0.656 1.00 3.74 H new ATOM 0 HG3 ARG A 46 -6.702 -17.081 -0.521 1.00 3.74 H new ATOM 0 HD2 ARG A 46 -7.120 -17.804 2.397 1.00 4.09 H new ATOM 0 HD3 ARG A 46 -8.477 -17.663 1.297 1.00 4.09 H new ATOM 0 HE ARG A 46 -7.446 -19.405 -0.111 1.00 4.94 H new ATOM 0 HH11 ARG A 46 -6.189 -19.288 3.195 1.00 5.24 H new ATOM 0 HH12 ARG A 46 -5.669 -20.974 3.121 1.00 5.24 H new ATOM 0 HH21 ARG A 46 -6.823 -21.484 -0.133 1.00 6.40 H new ATOM 0 HH22 ARG A 46 -6.022 -22.193 1.273 1.00 6.40 H new ATOM 741 N CYS A 47 -2.904 -14.637 3.166 1.00 1.54 N ATOM 742 CA CYS A 47 -1.539 -14.184 3.431 1.00 1.52 C ATOM 743 C CYS A 47 -0.709 -15.197 4.252 1.00 1.65 C ATOM 744 O CYS A 47 -1.285 -15.988 5.001 1.00 2.32 O ATOM 745 CB CYS A 47 -1.613 -12.829 4.163 1.00 2.18 C ATOM 746 SG CYS A 47 -2.596 -12.917 5.694 1.00 4.52 S ATOM 0 H CYS A 47 -3.586 -14.130 3.731 1.00 1.54 H new ATOM 0 HA CYS A 47 -1.024 -14.084 2.475 1.00 1.52 H new ATOM 0 HB2 CYS A 47 -0.604 -12.493 4.402 1.00 2.18 H new ATOM 0 HB3 CYS A 47 -2.048 -12.083 3.498 1.00 2.18 H new ATOM 0 HG CYS A 47 -2.647 -11.741 6.245 1.00 4.52 H new ATOM 752 N PRO A 48 0.637 -15.142 4.142 1.00 1.37 N ATOM 753 CA PRO A 48 1.557 -15.742 5.088 1.00 1.71 C ATOM 754 C PRO A 48 1.830 -14.699 6.187 1.00 1.68 C ATOM 755 O PRO A 48 0.915 -14.033 6.659 1.00 2.35 O ATOM 756 CB PRO A 48 2.773 -16.098 4.218 1.00 2.34 C ATOM 757 CG PRO A 48 2.882 -14.864 3.323 1.00 2.27 C ATOM 758 CD PRO A 48 1.415 -14.497 3.088 1.00 1.77 C ATOM 0 HA PRO A 48 1.211 -16.633 5.611 1.00 1.71 H new ATOM 0 HB2 PRO A 48 3.672 -16.253 4.814 1.00 2.34 H new ATOM 0 HB3 PRO A 48 2.612 -17.009 3.642 1.00 2.34 H new ATOM 0 HG2 PRO A 48 3.430 -14.057 3.809 1.00 2.27 H new ATOM 0 HG3 PRO A 48 3.400 -15.084 2.390 1.00 2.27 H new ATOM 0 HD2 PRO A 48 1.279 -13.416 3.116 1.00 1.77 H new ATOM 0 HD3 PRO A 48 1.086 -14.834 2.105 1.00 1.77 H new ATOM 766 N ASP A 49 3.098 -14.514 6.556 1.00 1.41 N ATOM 767 CA ASP A 49 3.516 -13.720 7.730 1.00 1.30 C ATOM 768 C ASP A 49 3.835 -12.273 7.325 1.00 1.28 C ATOM 769 O ASP A 49 3.611 -11.301 8.035 1.00 1.57 O ATOM 770 CB ASP A 49 4.749 -14.411 8.337 1.00 1.51 C ATOM 771 CG ASP A 49 5.078 -13.901 9.744 1.00 2.41 C ATOM 772 OD1 ASP A 49 5.671 -12.803 9.837 1.00 3.20 O ATOM 773 OD2 ASP A 49 4.728 -14.622 10.704 1.00 3.45 O ATOM 0 H ASP A 49 3.883 -14.916 6.044 1.00 1.41 H new ATOM 0 HA ASP A 49 2.712 -13.671 8.464 1.00 1.30 H new ATOM 0 HB2 ASP A 49 4.576 -15.486 8.376 1.00 1.51 H new ATOM 0 HB3 ASP A 49 5.608 -14.250 7.686 1.00 1.51 H new ATOM 778 N VAL A 50 4.270 -12.142 6.079 1.00 1.16 N ATOM 779 CA VAL A 50 4.754 -10.917 5.462 1.00 1.25 C ATOM 780 C VAL A 50 3.722 -9.780 5.431 1.00 1.36 C ATOM 781 O VAL A 50 4.077 -8.630 5.666 1.00 1.58 O ATOM 782 CB VAL A 50 5.291 -11.277 4.059 1.00 1.34 C ATOM 783 CG1 VAL A 50 4.265 -11.180 2.910 1.00 1.41 C ATOM 784 CG2 VAL A 50 6.550 -10.464 3.786 1.00 1.94 C ATOM 0 H VAL A 50 4.295 -12.934 5.436 1.00 1.16 H new ATOM 0 HA VAL A 50 5.556 -10.508 6.077 1.00 1.25 H new ATOM 0 HB VAL A 50 5.529 -12.340 4.079 1.00 1.34 H new ATOM 0 HG11 VAL A 50 4.744 -11.453 1.970 1.00 1.41 H new ATOM 0 HG12 VAL A 50 3.435 -11.859 3.105 1.00 1.41 H new ATOM 0 HG13 VAL A 50 3.890 -10.159 2.843 1.00 1.41 H new ATOM 0 HG21 VAL A 50 6.936 -10.712 2.797 1.00 1.94 H new ATOM 0 HG22 VAL A 50 6.313 -9.401 3.827 1.00 1.94 H new ATOM 0 HG23 VAL A 50 7.304 -10.697 4.538 1.00 1.94 H new ATOM 794 N CYS A 51 2.443 -10.098 5.180 1.00 1.32 N ATOM 795 CA CYS A 51 1.347 -9.126 5.202 1.00 1.40 C ATOM 796 C CYS A 51 1.024 -8.650 6.631 1.00 1.47 C ATOM 797 O CYS A 51 1.025 -7.430 6.808 1.00 1.59 O ATOM 798 CB CYS A 51 0.108 -9.659 4.460 1.00 1.58 C ATOM 799 SG CYS A 51 0.521 -10.224 2.780 1.00 2.48 S ATOM 0 H CYS A 51 2.141 -11.046 4.954 1.00 1.32 H new ATOM 0 HA CYS A 51 1.683 -8.243 4.659 1.00 1.40 H new ATOM 0 HB2 CYS A 51 -0.328 -10.484 5.024 1.00 1.58 H new ATOM 0 HB3 CYS A 51 -0.648 -8.876 4.405 1.00 1.58 H new ATOM 0 HG CYS A 51 -0.552 -10.666 2.195 1.00 2.48 H new ATOM 805 N PRO A 52 0.777 -9.525 7.634 1.00 1.31 N ATOM 806 CA PRO A 52 0.465 -9.057 8.979 1.00 1.29 C ATOM 807 C PRO A 52 1.648 -8.329 9.625 1.00 1.40 C ATOM 808 O PRO A 52 1.433 -7.271 10.213 1.00 1.30 O ATOM 809 CB PRO A 52 0.009 -10.289 9.771 1.00 1.48 C ATOM 810 CG PRO A 52 0.583 -11.478 9.011 1.00 1.54 C ATOM 811 CD PRO A 52 0.629 -10.981 7.566 1.00 1.55 C ATOM 0 HA PRO A 52 -0.328 -8.310 8.961 1.00 1.29 H new ATOM 0 HB2 PRO A 52 0.379 -10.259 10.796 1.00 1.48 H new ATOM 0 HB3 PRO A 52 -1.078 -10.343 9.826 1.00 1.48 H new ATOM 0 HG2 PRO A 52 1.574 -11.748 9.375 1.00 1.54 H new ATOM 0 HG3 PRO A 52 -0.046 -12.362 9.113 1.00 1.54 H new ATOM 0 HD2 PRO A 52 1.462 -11.431 7.027 1.00 1.55 H new ATOM 0 HD3 PRO A 52 -0.281 -11.254 7.032 1.00 1.55 H new ATOM 819 N THR A 53 2.885 -8.826 9.467 1.00 1.06 N ATOM 820 CA THR A 53 4.081 -8.209 10.057 1.00 1.02 C ATOM 821 C THR A 53 4.369 -6.838 9.434 1.00 1.13 C ATOM 822 O THR A 53 4.583 -5.872 10.170 1.00 1.19 O ATOM 823 CB THR A 53 5.246 -9.213 9.978 1.00 1.09 C ATOM 824 OG1 THR A 53 4.806 -10.359 10.678 1.00 1.90 O ATOM 825 CG2 THR A 53 6.509 -8.702 10.669 1.00 1.62 C ATOM 0 H THR A 53 3.083 -9.668 8.926 1.00 1.06 H new ATOM 0 HA THR A 53 3.921 -7.991 11.113 1.00 1.02 H new ATOM 0 HB THR A 53 5.498 -9.396 8.934 1.00 1.09 H new ATOM 0 HG1 THR A 53 5.071 -11.164 10.187 1.00 1.90 H new ATOM 0 HG21 THR A 53 7.298 -9.449 10.583 1.00 1.62 H new ATOM 0 HG22 THR A 53 6.833 -7.775 10.195 1.00 1.62 H new ATOM 0 HG23 THR A 53 6.298 -8.517 11.722 1.00 1.62 H new ATOM 833 N THR A 54 4.233 -6.701 8.104 1.00 0.91 N ATOM 834 CA THR A 54 4.284 -5.401 7.396 1.00 0.82 C ATOM 835 C THR A 54 3.177 -4.459 7.863 1.00 0.92 C ATOM 836 O THR A 54 3.482 -3.329 8.225 1.00 0.94 O ATOM 837 CB THR A 54 4.251 -5.577 5.873 1.00 0.79 C ATOM 838 OG1 THR A 54 5.480 -6.130 5.474 1.00 1.14 O ATOM 839 CG2 THR A 54 4.106 -4.266 5.099 1.00 0.85 C ATOM 0 H THR A 54 4.083 -7.494 7.480 1.00 0.91 H new ATOM 0 HA THR A 54 5.239 -4.942 7.652 1.00 0.82 H new ATOM 0 HB THR A 54 3.385 -6.202 5.653 1.00 0.79 H new ATOM 0 HG1 THR A 54 5.393 -7.103 5.402 1.00 1.14 H new ATOM 0 HG21 THR A 54 4.091 -4.475 4.029 1.00 0.85 H new ATOM 0 HG22 THR A 54 3.176 -3.775 5.386 1.00 0.85 H new ATOM 0 HG23 THR A 54 4.948 -3.613 5.329 1.00 0.85 H new ATOM 847 N LEU A 55 1.907 -4.878 7.897 1.00 0.78 N ATOM 848 CA LEU A 55 0.810 -3.993 8.324 1.00 0.78 C ATOM 849 C LEU A 55 0.937 -3.561 9.793 1.00 1.21 C ATOM 850 O LEU A 55 0.539 -2.444 10.124 1.00 1.40 O ATOM 851 CB LEU A 55 -0.552 -4.678 8.094 1.00 0.81 C ATOM 852 CG LEU A 55 -1.010 -4.797 6.627 1.00 0.99 C ATOM 853 CD1 LEU A 55 -2.250 -5.699 6.558 1.00 1.49 C ATOM 854 CD2 LEU A 55 -1.361 -3.433 6.010 1.00 1.24 C ATOM 0 H LEU A 55 1.611 -5.819 7.636 1.00 0.78 H new ATOM 0 HA LEU A 55 0.876 -3.092 7.714 1.00 0.78 H new ATOM 0 HB2 LEU A 55 -0.510 -5.679 8.523 1.00 0.81 H new ATOM 0 HB3 LEU A 55 -1.312 -4.126 8.647 1.00 0.81 H new ATOM 0 HG LEU A 55 -0.181 -5.220 6.060 1.00 0.99 H new ATOM 0 HD11 LEU A 55 -2.579 -5.787 5.522 1.00 1.49 H new ATOM 0 HD12 LEU A 55 -2.003 -6.687 6.946 1.00 1.49 H new ATOM 0 HD13 LEU A 55 -3.050 -5.264 7.157 1.00 1.49 H new ATOM 0 HD21 LEU A 55 -1.678 -3.572 4.976 1.00 1.24 H new ATOM 0 HD22 LEU A 55 -2.170 -2.974 6.579 1.00 1.24 H new ATOM 0 HD23 LEU A 55 -0.485 -2.785 6.037 1.00 1.24 H new ATOM 866 N LEU A 56 1.510 -4.400 10.662 1.00 0.78 N ATOM 867 CA LEU A 56 1.840 -4.051 12.044 1.00 0.81 C ATOM 868 C LEU A 56 2.967 -3.013 12.078 1.00 1.14 C ATOM 869 O LEU A 56 2.828 -1.996 12.757 1.00 1.23 O ATOM 870 CB LEU A 56 2.191 -5.347 12.800 1.00 0.89 C ATOM 871 CG LEU A 56 2.352 -5.172 14.325 1.00 1.21 C ATOM 872 CD1 LEU A 56 1.955 -6.469 15.049 1.00 1.81 C ATOM 873 CD2 LEU A 56 3.791 -4.812 14.728 1.00 1.81 C ATOM 0 H LEU A 56 1.761 -5.358 10.418 1.00 0.78 H new ATOM 0 HA LEU A 56 0.989 -3.587 12.542 1.00 0.81 H new ATOM 0 HB2 LEU A 56 1.412 -6.085 12.612 1.00 0.89 H new ATOM 0 HB3 LEU A 56 3.118 -5.751 12.393 1.00 0.89 H new ATOM 0 HG LEU A 56 1.699 -4.349 14.615 1.00 1.21 H new ATOM 0 HD11 LEU A 56 2.072 -6.336 16.124 1.00 1.81 H new ATOM 0 HD12 LEU A 56 0.916 -6.708 14.824 1.00 1.81 H new ATOM 0 HD13 LEU A 56 2.596 -7.284 14.713 1.00 1.81 H new ATOM 0 HD21 LEU A 56 3.849 -4.700 15.811 1.00 1.81 H new ATOM 0 HD22 LEU A 56 4.467 -5.605 14.408 1.00 1.81 H new ATOM 0 HD23 LEU A 56 4.079 -3.875 14.251 1.00 1.81 H new ATOM 885 N ALA A 57 4.059 -3.226 11.339 1.00 0.83 N ATOM 886 CA ALA A 57 5.180 -2.285 11.289 1.00 0.87 C ATOM 887 C ALA A 57 4.763 -0.916 10.722 1.00 0.93 C ATOM 888 O ALA A 57 5.107 0.124 11.300 1.00 1.13 O ATOM 889 CB ALA A 57 6.307 -2.913 10.467 1.00 0.89 C ATOM 0 H ALA A 57 4.190 -4.055 10.759 1.00 0.83 H new ATOM 0 HA ALA A 57 5.529 -2.094 12.304 1.00 0.87 H new ATOM 0 HB1 ALA A 57 7.150 -2.224 10.420 1.00 0.89 H new ATOM 0 HB2 ALA A 57 6.625 -3.844 10.937 1.00 0.89 H new ATOM 0 HB3 ALA A 57 5.950 -3.119 9.458 1.00 0.89 H new ATOM 895 N LEU A 58 3.967 -0.929 9.645 1.00 0.84 N ATOM 896 CA LEU A 58 3.320 0.243 9.047 1.00 0.85 C ATOM 897 C LEU A 58 2.433 0.961 10.066 1.00 1.24 C ATOM 898 O LEU A 58 2.604 2.161 10.281 1.00 1.38 O ATOM 899 CB LEU A 58 2.481 -0.188 7.821 1.00 0.86 C ATOM 900 CG LEU A 58 3.275 -0.601 6.563 1.00 1.11 C ATOM 901 CD1 LEU A 58 2.305 -1.133 5.498 1.00 1.26 C ATOM 902 CD2 LEU A 58 4.048 0.576 5.970 1.00 1.41 C ATOM 0 H LEU A 58 3.748 -1.792 9.147 1.00 0.84 H new ATOM 0 HA LEU A 58 4.097 0.937 8.726 1.00 0.85 H new ATOM 0 HB2 LEU A 58 1.848 -1.024 8.116 1.00 0.86 H new ATOM 0 HB3 LEU A 58 1.818 0.635 7.553 1.00 0.86 H new ATOM 0 HG LEU A 58 3.987 -1.371 6.860 1.00 1.11 H new ATOM 0 HD11 LEU A 58 2.865 -1.425 4.609 1.00 1.26 H new ATOM 0 HD12 LEU A 58 1.772 -1.998 5.891 1.00 1.26 H new ATOM 0 HD13 LEU A 58 1.589 -0.354 5.236 1.00 1.26 H new ATOM 0 HD21 LEU A 58 4.594 0.245 5.086 1.00 1.41 H new ATOM 0 HD22 LEU A 58 3.351 1.366 5.691 1.00 1.41 H new ATOM 0 HD23 LEU A 58 4.752 0.958 6.709 1.00 1.41 H new ATOM 914 N LYS A 59 1.501 0.265 10.731 1.00 0.85 N ATOM 915 CA LYS A 59 0.590 0.938 11.663 1.00 0.84 C ATOM 916 C LYS A 59 1.320 1.499 12.894 1.00 0.93 C ATOM 917 O LYS A 59 0.980 2.591 13.344 1.00 0.98 O ATOM 918 CB LYS A 59 -0.647 0.065 11.960 1.00 0.94 C ATOM 919 CG LYS A 59 -0.573 -1.001 13.062 1.00 1.08 C ATOM 920 CD LYS A 59 -0.597 -0.391 14.467 1.00 1.20 C ATOM 921 CE LYS A 59 -1.470 -1.160 15.460 1.00 0.90 C ATOM 922 NZ LYS A 59 -2.022 -0.239 16.494 1.00 1.27 N ATOM 0 H LYS A 59 1.360 -0.741 10.644 1.00 0.85 H new ATOM 0 HA LYS A 59 0.192 1.830 11.179 1.00 0.84 H new ATOM 0 HB2 LYS A 59 -1.468 0.737 12.210 1.00 0.94 H new ATOM 0 HB3 LYS A 59 -0.920 -0.441 11.034 1.00 0.94 H new ATOM 0 HG2 LYS A 59 -1.410 -1.690 12.954 1.00 1.08 H new ATOM 0 HG3 LYS A 59 0.339 -1.585 12.938 1.00 1.08 H new ATOM 0 HD2 LYS A 59 0.422 -0.348 14.851 1.00 1.20 H new ATOM 0 HD3 LYS A 59 -0.957 0.636 14.401 1.00 1.20 H new ATOM 0 HE2 LYS A 59 -2.286 -1.652 14.930 1.00 0.90 H new ATOM 0 HE3 LYS A 59 -0.882 -1.943 15.939 1.00 0.90 H new ATOM 0 HZ1 LYS A 59 -2.927 -0.613 16.845 1.00 1.27 H new ATOM 0 HZ2 LYS A 59 -1.350 -0.161 17.284 1.00 1.27 H new ATOM 0 HZ3 LYS A 59 -2.175 0.701 16.076 1.00 1.27 H new ATOM 936 N ARG A 60 2.373 0.822 13.375 1.00 0.82 N ATOM 937 CA ARG A 60 3.243 1.336 14.441 1.00 0.84 C ATOM 938 C ARG A 60 3.949 2.638 14.030 1.00 1.16 C ATOM 939 O ARG A 60 4.159 3.492 14.886 1.00 1.15 O ATOM 940 CB ARG A 60 4.273 0.275 14.850 1.00 0.86 C ATOM 941 CG ARG A 60 3.705 -0.948 15.591 1.00 1.13 C ATOM 942 CD ARG A 60 3.736 -0.832 17.121 1.00 1.53 C ATOM 943 NE ARG A 60 2.671 0.026 17.664 1.00 2.49 N ATOM 944 CZ ARG A 60 2.385 0.214 18.945 1.00 3.63 C ATOM 945 NH1 ARG A 60 3.114 -0.298 19.915 1.00 3.75 N ATOM 946 NH2 ARG A 60 1.329 0.920 19.278 1.00 5.07 N ATOM 0 H ARG A 60 2.645 -0.100 13.034 1.00 0.82 H new ATOM 0 HA ARG A 60 2.609 1.565 15.297 1.00 0.84 H new ATOM 0 HB2 ARG A 60 4.787 -0.072 13.954 1.00 0.86 H new ATOM 0 HB3 ARG A 60 5.023 0.747 15.485 1.00 0.86 H new ATOM 0 HG2 ARG A 60 2.675 -1.105 15.271 1.00 1.13 H new ATOM 0 HG3 ARG A 60 4.269 -1.832 15.294 1.00 1.13 H new ATOM 0 HD2 ARG A 60 3.647 -1.828 17.555 1.00 1.53 H new ATOM 0 HD3 ARG A 60 4.704 -0.436 17.428 1.00 1.53 H new ATOM 0 HE ARG A 60 2.095 0.526 16.987 1.00 2.49 H new ATOM 0 HH11 ARG A 60 3.933 -0.863 19.693 1.00 3.75 H new ATOM 0 HH12 ARG A 60 2.859 -0.129 20.888 1.00 3.75 H new ATOM 0 HH21 ARG A 60 0.734 1.320 18.553 1.00 5.07 H new ATOM 0 HH22 ARG A 60 1.104 1.068 20.262 1.00 5.07 H new ATOM 960 N ALA A 61 4.282 2.814 12.744 1.00 0.84 N ATOM 961 CA ALA A 61 4.807 4.083 12.236 1.00 0.85 C ATOM 962 C ALA A 61 3.725 5.177 12.214 1.00 0.96 C ATOM 963 O ALA A 61 3.973 6.283 12.686 1.00 1.02 O ATOM 964 CB ALA A 61 5.461 3.863 10.861 1.00 0.93 C ATOM 0 H ALA A 61 4.195 2.086 12.035 1.00 0.84 H new ATOM 0 HA ALA A 61 5.578 4.445 12.916 1.00 0.85 H new ATOM 0 HB1 ALA A 61 5.850 4.810 10.487 1.00 0.93 H new ATOM 0 HB2 ALA A 61 6.278 3.148 10.957 1.00 0.93 H new ATOM 0 HB3 ALA A 61 4.719 3.475 10.163 1.00 0.93 H new ATOM 970 N TYR A 62 2.505 4.862 11.754 1.00 0.90 N ATOM 971 CA TYR A 62 1.369 5.793 11.779 1.00 1.00 C ATOM 972 C TYR A 62 1.027 6.284 13.199 1.00 1.24 C ATOM 973 O TYR A 62 0.789 7.479 13.374 1.00 1.37 O ATOM 974 CB TYR A 62 0.149 5.126 11.113 1.00 1.10 C ATOM 975 CG TYR A 62 -1.122 5.959 11.178 1.00 1.59 C ATOM 976 CD1 TYR A 62 -1.923 5.924 12.336 1.00 3.07 C ATOM 977 CD2 TYR A 62 -1.480 6.799 10.110 1.00 2.39 C ATOM 978 CE1 TYR A 62 -3.049 6.758 12.446 1.00 3.54 C ATOM 979 CE2 TYR A 62 -2.590 7.662 10.218 1.00 2.77 C ATOM 980 CZ TYR A 62 -3.369 7.649 11.399 1.00 2.76 C ATOM 981 OH TYR A 62 -4.428 8.488 11.549 1.00 3.41 O ATOM 0 H TYR A 62 2.279 3.952 11.353 1.00 0.90 H new ATOM 0 HA TYR A 62 1.654 6.682 11.217 1.00 1.00 H new ATOM 0 HB2 TYR A 62 0.384 4.922 10.069 1.00 1.10 H new ATOM 0 HB3 TYR A 62 -0.034 4.164 11.593 1.00 1.10 H new ATOM 0 HD1 TYR A 62 -1.671 5.253 13.144 1.00 3.07 H new ATOM 0 HD2 TYR A 62 -0.900 6.784 9.199 1.00 2.39 H new ATOM 0 HE1 TYR A 62 -3.668 6.717 13.330 1.00 3.54 H new ATOM 0 HE2 TYR A 62 -2.843 8.327 9.406 1.00 2.77 H new ATOM 0 HH TYR A 62 -4.140 9.411 11.387 1.00 3.41 H new ATOM 991 N GLU A 63 1.011 5.388 14.198 1.00 0.94 N ATOM 992 CA GLU A 63 0.679 5.730 15.593 1.00 1.06 C ATOM 993 C GLU A 63 1.692 6.703 16.217 1.00 1.19 C ATOM 994 O GLU A 63 1.387 7.373 17.197 1.00 1.48 O ATOM 995 CB GLU A 63 0.632 4.460 16.461 1.00 1.20 C ATOM 996 CG GLU A 63 -0.525 3.493 16.171 1.00 1.42 C ATOM 997 CD GLU A 63 -0.294 2.193 16.929 1.00 2.05 C ATOM 998 OE1 GLU A 63 0.557 1.376 16.533 1.00 2.73 O ATOM 999 OE2 GLU A 63 -0.964 1.880 17.935 1.00 2.83 O ATOM 0 H GLU A 63 1.229 4.401 14.062 1.00 0.94 H new ATOM 0 HA GLU A 63 -0.297 6.215 15.566 1.00 1.06 H new ATOM 0 HB2 GLU A 63 1.571 3.921 16.334 1.00 1.20 H new ATOM 0 HB3 GLU A 63 0.576 4.760 17.507 1.00 1.20 H new ATOM 0 HG2 GLU A 63 -1.472 3.940 16.472 1.00 1.42 H new ATOM 0 HG3 GLU A 63 -0.591 3.297 15.101 1.00 1.42 H new ATOM 1006 N LYS A 64 2.907 6.793 15.664 1.00 0.87 N ATOM 1007 CA LYS A 64 3.967 7.678 16.151 1.00 0.91 C ATOM 1008 C LYS A 64 3.875 9.117 15.607 1.00 1.14 C ATOM 1009 O LYS A 64 4.545 10.010 16.123 1.00 1.36 O ATOM 1010 CB LYS A 64 5.328 7.020 15.822 1.00 0.94 C ATOM 1011 CG LYS A 64 6.127 6.768 17.107 1.00 1.50 C ATOM 1012 CD LYS A 64 7.487 6.112 16.836 1.00 2.04 C ATOM 1013 CE LYS A 64 8.199 5.875 18.176 1.00 2.78 C ATOM 1014 NZ LYS A 64 9.551 5.300 17.992 1.00 3.87 N ATOM 0 H LYS A 64 3.184 6.242 14.851 1.00 0.87 H new ATOM 0 HA LYS A 64 3.852 7.793 17.229 1.00 0.91 H new ATOM 0 HB2 LYS A 64 5.166 6.079 15.297 1.00 0.94 H new ATOM 0 HB3 LYS A 64 5.898 7.664 15.153 1.00 0.94 H new ATOM 0 HG2 LYS A 64 6.281 7.714 17.626 1.00 1.50 H new ATOM 0 HG3 LYS A 64 5.546 6.130 17.773 1.00 1.50 H new ATOM 0 HD2 LYS A 64 7.352 5.168 16.308 1.00 2.04 H new ATOM 0 HD3 LYS A 64 8.093 6.752 16.195 1.00 2.04 H new ATOM 0 HE2 LYS A 64 8.277 6.818 18.717 1.00 2.78 H new ATOM 0 HE3 LYS A 64 7.600 5.203 18.791 1.00 2.78 H new ATOM 0 HZ1 LYS A 64 10.072 5.344 18.891 1.00 3.87 H new ATOM 0 HZ2 LYS A 64 9.468 4.309 17.688 1.00 3.87 H new ATOM 0 HZ3 LYS A 64 10.063 5.843 17.268 1.00 3.87 H new ATOM 1028 N LEU A 65 3.084 9.370 14.554 1.00 0.99 N ATOM 1029 CA LEU A 65 2.992 10.688 13.913 1.00 1.06 C ATOM 1030 C LEU A 65 2.080 11.635 14.721 1.00 1.44 C ATOM 1031 O LEU A 65 1.032 11.199 15.198 1.00 1.71 O ATOM 1032 CB LEU A 65 2.488 10.531 12.467 1.00 1.12 C ATOM 1033 CG LEU A 65 3.416 9.719 11.538 1.00 1.11 C ATOM 1034 CD1 LEU A 65 2.724 9.565 10.182 1.00 1.60 C ATOM 1035 CD2 LEU A 65 4.796 10.363 11.347 1.00 1.52 C ATOM 0 H LEU A 65 2.489 8.663 14.122 1.00 0.99 H new ATOM 0 HA LEU A 65 3.985 11.136 13.889 1.00 1.06 H new ATOM 0 HB2 LEU A 65 1.510 10.050 12.489 1.00 1.12 H new ATOM 0 HB3 LEU A 65 2.346 11.523 12.038 1.00 1.12 H new ATOM 0 HG LEU A 65 3.593 8.751 12.007 1.00 1.11 H new ATOM 0 HD11 LEU A 65 3.364 8.993 9.510 1.00 1.60 H new ATOM 0 HD12 LEU A 65 1.777 9.042 10.314 1.00 1.60 H new ATOM 0 HD13 LEU A 65 2.537 10.550 9.755 1.00 1.60 H new ATOM 0 HD21 LEU A 65 5.399 9.742 10.684 1.00 1.52 H new ATOM 0 HD22 LEU A 65 4.678 11.354 10.909 1.00 1.52 H new ATOM 0 HD23 LEU A 65 5.293 10.451 12.313 1.00 1.52 H new ATOM 1047 N PRO A 66 2.413 12.938 14.845 1.00 1.22 N ATOM 1048 CA PRO A 66 1.588 13.892 15.580 1.00 1.43 C ATOM 1049 C PRO A 66 0.201 14.043 14.944 1.00 1.57 C ATOM 1050 O PRO A 66 0.065 13.828 13.734 1.00 1.37 O ATOM 1051 CB PRO A 66 2.353 15.220 15.571 1.00 1.56 C ATOM 1052 CG PRO A 66 3.304 15.098 14.385 1.00 1.43 C ATOM 1053 CD PRO A 66 3.584 13.600 14.297 1.00 1.27 C ATOM 0 HA PRO A 66 1.412 13.548 16.599 1.00 1.43 H new ATOM 0 HB2 PRO A 66 1.678 16.067 15.454 1.00 1.56 H new ATOM 0 HB3 PRO A 66 2.897 15.372 16.503 1.00 1.56 H new ATOM 0 HG2 PRO A 66 2.851 15.475 13.468 1.00 1.43 H new ATOM 0 HG3 PRO A 66 4.219 15.668 14.546 1.00 1.43 H new ATOM 0 HD2 PRO A 66 3.756 13.296 13.265 1.00 1.27 H new ATOM 0 HD3 PRO A 66 4.479 13.337 14.860 1.00 1.27 H new ATOM 1061 N PRO A 67 -0.812 14.491 15.719 1.00 1.40 N ATOM 1062 CA PRO A 67 -2.205 14.605 15.281 1.00 1.55 C ATOM 1063 C PRO A 67 -2.432 15.578 14.110 1.00 1.71 C ATOM 1064 O PRO A 67 -3.547 15.642 13.596 1.00 1.83 O ATOM 1065 CB PRO A 67 -3.005 14.998 16.530 1.00 1.75 C ATOM 1066 CG PRO A 67 -1.971 15.667 17.431 1.00 1.78 C ATOM 1067 CD PRO A 67 -0.708 14.870 17.123 1.00 1.54 C ATOM 0 HA PRO A 67 -2.537 13.653 14.867 1.00 1.55 H new ATOM 0 HB2 PRO A 67 -3.821 15.678 16.285 1.00 1.75 H new ATOM 0 HB3 PRO A 67 -3.450 14.127 17.010 1.00 1.75 H new ATOM 0 HG2 PRO A 67 -1.851 16.725 17.197 1.00 1.78 H new ATOM 0 HG3 PRO A 67 -2.246 15.602 18.484 1.00 1.78 H new ATOM 0 HD2 PRO A 67 0.186 15.468 17.302 1.00 1.54 H new ATOM 0 HD3 PRO A 67 -0.635 13.990 17.762 1.00 1.54 H new ATOM 1075 N LYS A 68 -1.396 16.293 13.642 1.00 1.58 N ATOM 1076 CA LYS A 68 -1.444 16.985 12.346 1.00 1.72 C ATOM 1077 C LYS A 68 -0.813 16.155 11.215 1.00 1.90 C ATOM 1078 O LYS A 68 -1.472 15.919 10.209 1.00 2.33 O ATOM 1079 CB LYS A 68 -0.803 18.380 12.474 1.00 1.91 C ATOM 1080 CG LYS A 68 -1.589 19.357 13.370 1.00 2.22 C ATOM 1081 CD LYS A 68 -2.996 19.690 12.836 1.00 2.85 C ATOM 1082 CE LYS A 68 -3.644 20.783 13.701 1.00 3.50 C ATOM 1083 NZ LYS A 68 -4.991 21.169 13.207 1.00 3.97 N ATOM 0 H LYS A 68 -0.515 16.406 14.143 1.00 1.58 H new ATOM 0 HA LYS A 68 -2.490 17.113 12.067 1.00 1.72 H new ATOM 0 HB2 LYS A 68 0.205 18.269 12.874 1.00 1.91 H new ATOM 0 HB3 LYS A 68 -0.705 18.815 11.479 1.00 1.91 H new ATOM 0 HG2 LYS A 68 -1.681 18.928 14.368 1.00 2.22 H new ATOM 0 HG3 LYS A 68 -1.020 20.281 13.472 1.00 2.22 H new ATOM 0 HD2 LYS A 68 -2.931 20.025 11.801 1.00 2.85 H new ATOM 0 HD3 LYS A 68 -3.617 18.794 12.842 1.00 2.85 H new ATOM 0 HE2 LYS A 68 -3.724 20.430 14.729 1.00 3.50 H new ATOM 0 HE3 LYS A 68 -2.999 21.662 13.715 1.00 3.50 H new ATOM 0 HZ1 LYS A 68 -5.388 21.908 13.822 1.00 3.97 H new ATOM 0 HZ2 LYS A 68 -4.914 21.532 12.235 1.00 3.97 H new ATOM 0 HZ3 LYS A 68 -5.616 20.338 13.218 1.00 3.97 H new ATOM 1097 N ALA A 69 0.431 15.682 11.372 1.00 1.21 N ATOM 1098 CA ALA A 69 1.130 14.943 10.309 1.00 1.02 C ATOM 1099 C ALA A 69 0.522 13.563 10.015 1.00 1.15 C ATOM 1100 O ALA A 69 0.654 13.087 8.897 1.00 1.38 O ATOM 1101 CB ALA A 69 2.621 14.833 10.642 1.00 1.17 C ATOM 0 H ALA A 69 0.976 15.798 12.227 1.00 1.21 H new ATOM 0 HA ALA A 69 1.004 15.517 9.391 1.00 1.02 H new ATOM 0 HB1 ALA A 69 3.131 14.285 9.850 1.00 1.17 H new ATOM 0 HB2 ALA A 69 3.050 15.832 10.726 1.00 1.17 H new ATOM 0 HB3 ALA A 69 2.745 14.304 11.587 1.00 1.17 H new ATOM 1107 N GLN A 70 -0.188 12.945 10.964 1.00 1.13 N ATOM 1108 CA GLN A 70 -0.951 11.721 10.694 1.00 1.38 C ATOM 1109 C GLN A 70 -1.940 11.871 9.529 1.00 1.65 C ATOM 1110 O GLN A 70 -2.066 10.943 8.734 1.00 2.01 O ATOM 1111 CB GLN A 70 -1.594 11.173 11.960 1.00 1.55 C ATOM 1112 CG GLN A 70 -2.593 12.112 12.624 1.00 1.46 C ATOM 1113 CD GLN A 70 -3.998 12.129 12.021 1.00 2.60 C ATOM 1114 OE1 GLN A 70 -4.398 11.279 11.245 1.00 3.31 O ATOM 1115 NE2 GLN A 70 -4.805 13.123 12.329 1.00 3.85 N ATOM 0 H GLN A 70 -0.251 13.273 11.928 1.00 1.13 H new ATOM 0 HA GLN A 70 -0.235 10.972 10.357 1.00 1.38 H new ATOM 0 HB2 GLN A 70 -2.100 10.238 11.719 1.00 1.55 H new ATOM 0 HB3 GLN A 70 -0.808 10.935 12.677 1.00 1.55 H new ATOM 0 HG2 GLN A 70 -2.674 11.840 13.676 1.00 1.46 H new ATOM 0 HG3 GLN A 70 -2.191 13.124 12.587 1.00 1.46 H new ATOM 0 HE21 GLN A 70 -4.496 13.849 12.976 1.00 3.85 H new ATOM 0 HE22 GLN A 70 -5.739 13.167 11.921 1.00 3.85 H new ATOM 1124 N GLU A 71 -2.565 13.044 9.361 1.00 1.62 N ATOM 1125 CA GLU A 71 -3.544 13.267 8.288 1.00 2.03 C ATOM 1126 C GLU A 71 -2.920 13.056 6.908 1.00 2.15 C ATOM 1127 O GLU A 71 -3.591 12.622 5.977 1.00 2.76 O ATOM 1128 CB GLU A 71 -4.226 14.639 8.429 1.00 2.25 C ATOM 1129 CG GLU A 71 -3.514 15.843 7.785 1.00 2.68 C ATOM 1130 CD GLU A 71 -3.917 16.102 6.328 1.00 4.40 C ATOM 1131 OE1 GLU A 71 -5.127 16.181 6.036 1.00 5.29 O ATOM 1132 OE2 GLU A 71 -3.024 16.247 5.461 1.00 5.57 O ATOM 0 H GLU A 71 -2.409 13.857 9.957 1.00 1.62 H new ATOM 0 HA GLU A 71 -4.329 12.518 8.388 1.00 2.03 H new ATOM 0 HB2 GLU A 71 -5.225 14.567 7.999 1.00 2.25 H new ATOM 0 HB3 GLU A 71 -4.351 14.848 9.492 1.00 2.25 H new ATOM 0 HG2 GLU A 71 -3.727 16.735 8.374 1.00 2.68 H new ATOM 0 HG3 GLU A 71 -2.437 15.681 7.830 1.00 2.68 H new ATOM 1139 N ARG A 72 -1.610 13.290 6.789 1.00 1.53 N ATOM 1140 CA ARG A 72 -0.852 13.204 5.551 1.00 1.49 C ATOM 1141 C ARG A 72 -0.737 11.768 5.042 1.00 1.70 C ATOM 1142 O ARG A 72 -0.456 11.595 3.860 1.00 1.88 O ATOM 1143 CB ARG A 72 0.506 13.877 5.732 1.00 1.83 C ATOM 1144 CG ARG A 72 0.219 15.316 6.190 1.00 1.24 C ATOM 1145 CD ARG A 72 1.164 16.358 5.646 1.00 1.45 C ATOM 1146 NE ARG A 72 1.292 16.393 4.181 1.00 2.70 N ATOM 1147 CZ ARG A 72 0.384 16.708 3.267 1.00 3.76 C ATOM 1148 NH1 ARG A 72 -0.915 16.811 3.480 1.00 4.45 N ATOM 1149 NH2 ARG A 72 0.844 16.938 2.063 1.00 4.96 N ATOM 0 H ARG A 72 -1.032 13.554 7.587 1.00 1.53 H new ATOM 0 HA ARG A 72 -1.394 13.741 4.773 1.00 1.49 H new ATOM 0 HB2 ARG A 72 1.107 13.347 6.471 1.00 1.83 H new ATOM 0 HB3 ARG A 72 1.070 13.871 4.799 1.00 1.83 H new ATOM 0 HG2 ARG A 72 -0.797 15.579 5.896 1.00 1.24 H new ATOM 0 HG3 ARG A 72 0.254 15.349 7.279 1.00 1.24 H new ATOM 0 HD2 ARG A 72 0.832 17.338 5.988 1.00 1.45 H new ATOM 0 HD3 ARG A 72 2.151 16.188 6.076 1.00 1.45 H new ATOM 0 HE ARG A 72 2.210 16.139 3.816 1.00 2.70 H new ATOM 0 HH11 ARG A 72 -1.294 16.642 4.412 1.00 4.45 H new ATOM 0 HH12 ARG A 72 -1.540 17.059 2.713 1.00 4.45 H new ATOM 0 HH21 ARG A 72 1.845 16.870 1.878 1.00 4.96 H new ATOM 0 HH22 ARG A 72 0.202 17.186 1.310 1.00 4.96 H new ATOM 1163 N VAL A 73 -0.960 10.760 5.889 1.00 1.44 N ATOM 1164 CA VAL A 73 -0.823 9.340 5.543 1.00 1.42 C ATOM 1165 C VAL A 73 -2.154 8.597 5.677 1.00 1.39 C ATOM 1166 O VAL A 73 -2.809 8.627 6.716 1.00 1.61 O ATOM 1167 CB VAL A 73 0.279 8.633 6.369 1.00 1.81 C ATOM 1168 CG1 VAL A 73 1.681 9.024 5.882 1.00 2.21 C ATOM 1169 CG2 VAL A 73 0.227 8.938 7.872 1.00 2.37 C ATOM 0 H VAL A 73 -1.247 10.910 6.856 1.00 1.44 H new ATOM 0 HA VAL A 73 -0.516 9.309 4.497 1.00 1.42 H new ATOM 0 HB VAL A 73 0.083 7.571 6.219 1.00 1.81 H new ATOM 0 HG11 VAL A 73 2.431 8.510 6.483 1.00 2.21 H new ATOM 0 HG12 VAL A 73 1.796 8.738 4.836 1.00 2.21 H new ATOM 0 HG13 VAL A 73 1.813 10.102 5.980 1.00 2.21 H new ATOM 0 HG21 VAL A 73 1.031 8.405 8.379 1.00 2.37 H new ATOM 0 HG22 VAL A 73 0.346 10.010 8.030 1.00 2.37 H new ATOM 0 HG23 VAL A 73 -0.733 8.616 8.276 1.00 2.37 H new ATOM 1179 N GLN A 74 -2.538 7.897 4.610 1.00 1.09 N ATOM 1180 CA GLN A 74 -3.557 6.848 4.623 1.00 1.07 C ATOM 1181 C GLN A 74 -2.903 5.573 4.071 1.00 1.35 C ATOM 1182 O GLN A 74 -2.141 5.656 3.107 1.00 1.54 O ATOM 1183 CB GLN A 74 -4.775 7.229 3.758 1.00 1.25 C ATOM 1184 CG GLN A 74 -5.814 8.130 4.452 1.00 1.37 C ATOM 1185 CD GLN A 74 -5.509 9.629 4.408 1.00 2.10 C ATOM 1186 OE1 GLN A 74 -5.885 10.329 3.480 1.00 2.61 O ATOM 1187 NE2 GLN A 74 -4.862 10.174 5.419 1.00 3.61 N ATOM 0 H GLN A 74 -2.136 8.049 3.685 1.00 1.09 H new ATOM 0 HA GLN A 74 -3.921 6.701 5.640 1.00 1.07 H new ATOM 0 HB2 GLN A 74 -4.419 7.736 2.861 1.00 1.25 H new ATOM 0 HB3 GLN A 74 -5.270 6.314 3.432 1.00 1.25 H new ATOM 0 HG2 GLN A 74 -6.786 7.959 3.989 1.00 1.37 H new ATOM 0 HG3 GLN A 74 -5.899 7.823 5.494 1.00 1.37 H new ATOM 0 HE21 GLN A 74 -4.547 9.593 6.196 1.00 3.61 H new ATOM 0 HE22 GLN A 74 -4.677 11.177 5.425 1.00 3.61 H new ATOM 1196 N VAL A 75 -3.200 4.406 4.659 1.00 1.07 N ATOM 1197 CA VAL A 75 -2.613 3.121 4.215 1.00 1.06 C ATOM 1198 C VAL A 75 -3.656 2.276 3.495 1.00 1.18 C ATOM 1199 O VAL A 75 -4.708 1.944 4.045 1.00 1.58 O ATOM 1200 CB VAL A 75 -1.979 2.313 5.361 1.00 1.10 C ATOM 1201 CG1 VAL A 75 -1.218 1.079 4.843 1.00 1.15 C ATOM 1202 CG2 VAL A 75 -1.017 3.187 6.184 1.00 1.18 C ATOM 0 H VAL A 75 -3.844 4.319 5.445 1.00 1.07 H new ATOM 0 HA VAL A 75 -1.807 3.376 3.527 1.00 1.06 H new ATOM 0 HB VAL A 75 -2.799 1.975 5.994 1.00 1.10 H new ATOM 0 HG11 VAL A 75 -0.786 0.538 5.685 1.00 1.15 H new ATOM 0 HG12 VAL A 75 -1.906 0.426 4.306 1.00 1.15 H new ATOM 0 HG13 VAL A 75 -0.422 1.398 4.171 1.00 1.15 H new ATOM 0 HG21 VAL A 75 -0.582 2.592 6.987 1.00 1.18 H new ATOM 0 HG22 VAL A 75 -0.222 3.561 5.538 1.00 1.18 H new ATOM 0 HG23 VAL A 75 -1.564 4.028 6.610 1.00 1.18 H new ATOM 1212 N ILE A 76 -3.345 1.938 2.245 1.00 0.96 N ATOM 1213 CA ILE A 76 -4.238 1.213 1.341 1.00 0.94 C ATOM 1214 C ILE A 76 -3.687 -0.202 1.142 1.00 1.11 C ATOM 1215 O ILE A 76 -2.580 -0.403 0.638 1.00 1.38 O ATOM 1216 CB ILE A 76 -4.394 1.990 0.009 1.00 0.98 C ATOM 1217 CG1 ILE A 76 -5.320 3.228 0.089 1.00 1.18 C ATOM 1218 CG2 ILE A 76 -4.997 1.092 -1.083 1.00 1.14 C ATOM 1219 CD1 ILE A 76 -4.934 4.318 1.096 1.00 1.80 C ATOM 0 H ILE A 76 -2.445 2.165 1.822 1.00 0.96 H new ATOM 0 HA ILE A 76 -5.237 1.129 1.768 1.00 0.94 H new ATOM 0 HB ILE A 76 -3.379 2.316 -0.220 1.00 0.98 H new ATOM 0 HG12 ILE A 76 -5.366 3.682 -0.901 1.00 1.18 H new ATOM 0 HG13 ILE A 76 -6.326 2.884 0.330 1.00 1.18 H new ATOM 0 HG21 ILE A 76 -5.096 1.660 -2.008 1.00 1.14 H new ATOM 0 HG22 ILE A 76 -4.344 0.236 -1.252 1.00 1.14 H new ATOM 0 HG23 ILE A 76 -5.979 0.742 -0.765 1.00 1.14 H new ATOM 0 HD11 ILE A 76 -5.662 5.128 1.053 1.00 1.80 H new ATOM 0 HD12 ILE A 76 -4.920 3.896 2.101 1.00 1.80 H new ATOM 0 HD13 ILE A 76 -3.945 4.706 0.851 1.00 1.80 H new ATOM 1231 N PHE A 77 -4.516 -1.197 1.446 1.00 0.92 N ATOM 1232 CA PHE A 77 -4.253 -2.588 1.114 1.00 0.90 C ATOM 1233 C PHE A 77 -4.990 -2.875 -0.195 1.00 1.38 C ATOM 1234 O PHE A 77 -6.219 -2.898 -0.216 1.00 1.78 O ATOM 1235 CB PHE A 77 -4.739 -3.480 2.268 1.00 0.93 C ATOM 1236 CG PHE A 77 -4.479 -4.963 2.077 1.00 1.07 C ATOM 1237 CD1 PHE A 77 -5.428 -5.777 1.428 1.00 1.85 C ATOM 1238 CD2 PHE A 77 -3.295 -5.542 2.574 1.00 2.10 C ATOM 1239 CE1 PHE A 77 -5.204 -7.160 1.300 1.00 1.93 C ATOM 1240 CE2 PHE A 77 -3.070 -6.922 2.447 1.00 2.04 C ATOM 1241 CZ PHE A 77 -4.034 -7.734 1.823 1.00 1.27 C ATOM 0 H PHE A 77 -5.399 -1.055 1.936 1.00 0.92 H new ATOM 0 HA PHE A 77 -3.191 -2.793 0.980 1.00 0.90 H new ATOM 0 HB2 PHE A 77 -4.254 -3.156 3.189 1.00 0.93 H new ATOM 0 HB3 PHE A 77 -5.810 -3.327 2.401 1.00 0.93 H new ATOM 0 HD1 PHE A 77 -6.330 -5.338 1.028 1.00 1.85 H new ATOM 0 HD2 PHE A 77 -2.555 -4.920 3.056 1.00 2.10 H new ATOM 0 HE1 PHE A 77 -5.932 -7.781 0.799 1.00 1.93 H new ATOM 0 HE2 PHE A 77 -2.159 -7.359 2.828 1.00 2.04 H new ATOM 0 HZ PHE A 77 -3.874 -8.799 1.746 1.00 1.27 H new ATOM 1251 N VAL A 78 -4.244 -3.108 -1.273 1.00 0.62 N ATOM 1252 CA VAL A 78 -4.804 -3.529 -2.560 1.00 0.58 C ATOM 1253 C VAL A 78 -4.731 -5.046 -2.561 1.00 0.89 C ATOM 1254 O VAL A 78 -3.635 -5.603 -2.505 1.00 1.10 O ATOM 1255 CB VAL A 78 -4.013 -2.939 -3.756 1.00 0.71 C ATOM 1256 CG1 VAL A 78 -4.281 -3.659 -5.088 1.00 1.35 C ATOM 1257 CG2 VAL A 78 -4.373 -1.452 -3.902 1.00 1.00 C ATOM 0 H VAL A 78 -3.229 -3.010 -1.280 1.00 0.62 H new ATOM 0 HA VAL A 78 -5.826 -3.169 -2.676 1.00 0.58 H new ATOM 0 HB VAL A 78 -2.954 -3.076 -3.537 1.00 0.71 H new ATOM 0 HG11 VAL A 78 -3.694 -3.192 -5.879 1.00 1.35 H new ATOM 0 HG12 VAL A 78 -3.999 -4.708 -4.998 1.00 1.35 H new ATOM 0 HG13 VAL A 78 -5.341 -3.588 -5.333 1.00 1.35 H new ATOM 0 HG21 VAL A 78 -3.823 -1.025 -4.740 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -5.443 -1.353 -4.082 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -4.109 -0.922 -2.987 1.00 1.00 H new ATOM 1267 N SER A 79 -5.883 -5.715 -2.607 1.00 0.67 N ATOM 1268 CA SER A 79 -5.873 -7.138 -2.930 1.00 0.68 C ATOM 1269 C SER A 79 -5.674 -7.411 -4.426 1.00 0.73 C ATOM 1270 O SER A 79 -5.917 -6.565 -5.284 1.00 1.04 O ATOM 1271 CB SER A 79 -7.042 -7.936 -2.357 1.00 1.26 C ATOM 1272 OG SER A 79 -6.620 -9.296 -2.366 1.00 3.00 O ATOM 0 H SER A 79 -6.803 -5.311 -2.431 1.00 0.67 H new ATOM 0 HA SER A 79 -4.992 -7.514 -2.411 1.00 0.68 H new ATOM 0 HB2 SER A 79 -7.283 -7.607 -1.346 1.00 1.26 H new ATOM 0 HB3 SER A 79 -7.941 -7.801 -2.959 1.00 1.26 H new ATOM 0 HG SER A 79 -6.792 -9.698 -1.489 1.00 3.00 H new ATOM 1278 N VAL A 80 -5.196 -8.618 -4.709 1.00 0.73 N ATOM 1279 CA VAL A 80 -4.669 -9.058 -6.012 1.00 0.82 C ATOM 1280 C VAL A 80 -5.447 -10.281 -6.538 1.00 1.36 C ATOM 1281 O VAL A 80 -5.226 -10.743 -7.653 1.00 1.54 O ATOM 1282 CB VAL A 80 -3.150 -9.325 -5.871 1.00 0.84 C ATOM 1283 CG1 VAL A 80 -2.476 -9.791 -7.170 1.00 2.34 C ATOM 1284 CG2 VAL A 80 -2.392 -8.043 -5.457 1.00 1.86 C ATOM 0 H VAL A 80 -5.160 -9.358 -4.007 1.00 0.73 H new ATOM 0 HA VAL A 80 -4.808 -8.275 -6.757 1.00 0.82 H new ATOM 0 HB VAL A 80 -3.092 -10.111 -5.118 1.00 0.84 H new ATOM 0 HG11 VAL A 80 -1.414 -9.957 -6.990 1.00 2.34 H new ATOM 0 HG12 VAL A 80 -2.936 -10.720 -7.506 1.00 2.34 H new ATOM 0 HG13 VAL A 80 -2.599 -9.027 -7.938 1.00 2.34 H new ATOM 0 HG21 VAL A 80 -1.328 -8.263 -5.366 1.00 1.86 H new ATOM 0 HG22 VAL A 80 -2.540 -7.272 -6.214 1.00 1.86 H new ATOM 0 HG23 VAL A 80 -2.772 -7.689 -4.499 1.00 1.86 H new ATOM 1294 N ASP A 81 -6.396 -10.780 -5.737 1.00 0.85 N ATOM 1295 CA ASP A 81 -7.360 -11.820 -6.092 1.00 1.00 C ATOM 1296 C ASP A 81 -8.745 -11.180 -6.379 1.00 1.20 C ATOM 1297 O ASP A 81 -9.408 -10.709 -5.448 1.00 1.83 O ATOM 1298 CB ASP A 81 -7.377 -12.841 -4.944 1.00 1.46 C ATOM 1299 CG ASP A 81 -8.617 -13.734 -4.872 1.00 2.71 C ATOM 1300 OD1 ASP A 81 -9.364 -13.829 -5.873 1.00 3.50 O ATOM 1301 OD2 ASP A 81 -8.855 -14.285 -3.771 1.00 3.61 O ATOM 0 H ASP A 81 -6.515 -10.452 -4.779 1.00 0.85 H new ATOM 0 HA ASP A 81 -7.083 -12.342 -7.008 1.00 1.00 H new ATOM 0 HB2 ASP A 81 -6.497 -13.478 -5.035 1.00 1.46 H new ATOM 0 HB3 ASP A 81 -7.284 -12.302 -4.001 1.00 1.46 H new ATOM 1306 N PRO A 82 -9.196 -11.176 -7.654 1.00 1.15 N ATOM 1307 CA PRO A 82 -10.492 -10.652 -8.079 1.00 1.48 C ATOM 1308 C PRO A 82 -11.593 -11.732 -8.174 1.00 1.66 C ATOM 1309 O PRO A 82 -12.707 -11.408 -8.586 1.00 2.37 O ATOM 1310 CB PRO A 82 -10.202 -10.049 -9.458 1.00 1.96 C ATOM 1311 CG PRO A 82 -9.215 -11.052 -10.049 1.00 1.91 C ATOM 1312 CD PRO A 82 -8.396 -11.485 -8.834 1.00 1.60 C ATOM 0 HA PRO A 82 -10.884 -9.936 -7.357 1.00 1.48 H new ATOM 0 HB2 PRO A 82 -11.105 -9.962 -10.062 1.00 1.96 H new ATOM 0 HB3 PRO A 82 -9.772 -9.050 -9.383 1.00 1.96 H new ATOM 0 HG2 PRO A 82 -9.726 -11.896 -10.513 1.00 1.91 H new ATOM 0 HG3 PRO A 82 -8.589 -10.598 -10.817 1.00 1.91 H new ATOM 0 HD2 PRO A 82 -8.170 -12.550 -8.880 1.00 1.60 H new ATOM 0 HD3 PRO A 82 -7.442 -10.958 -8.803 1.00 1.60 H new ATOM 1320 N GLU A 83 -11.312 -13.002 -7.836 1.00 1.15 N ATOM 1321 CA GLU A 83 -12.311 -14.088 -7.832 1.00 1.36 C ATOM 1322 C GLU A 83 -12.953 -14.236 -6.439 1.00 1.77 C ATOM 1323 O GLU A 83 -14.162 -14.463 -6.337 1.00 2.55 O ATOM 1324 CB GLU A 83 -11.655 -15.430 -8.236 1.00 1.38 C ATOM 1325 CG GLU A 83 -11.421 -15.554 -9.751 1.00 1.82 C ATOM 1326 CD GLU A 83 -10.729 -16.872 -10.134 1.00 2.37 C ATOM 1327 OE1 GLU A 83 -11.283 -17.969 -9.874 1.00 3.54 O ATOM 1328 OE2 GLU A 83 -9.612 -16.790 -10.698 1.00 2.55 O ATOM 0 H GLU A 83 -10.380 -13.307 -7.556 1.00 1.15 H new ATOM 0 HA GLU A 83 -13.085 -13.831 -8.556 1.00 1.36 H new ATOM 0 HB2 GLU A 83 -10.702 -15.532 -7.717 1.00 1.38 H new ATOM 0 HB3 GLU A 83 -12.289 -16.252 -7.904 1.00 1.38 H new ATOM 0 HG2 GLU A 83 -12.377 -15.485 -10.270 1.00 1.82 H new ATOM 0 HG3 GLU A 83 -10.813 -14.716 -10.091 1.00 1.82 H new ATOM 1335 N ARG A 84 -12.151 -14.101 -5.375 1.00 1.48 N ATOM 1336 CA ARG A 84 -12.498 -14.502 -4.006 1.00 1.80 C ATOM 1337 C ARG A 84 -12.002 -13.525 -2.915 1.00 1.68 C ATOM 1338 O ARG A 84 -12.328 -13.726 -1.744 1.00 1.77 O ATOM 1339 CB ARG A 84 -12.018 -15.963 -3.839 1.00 2.47 C ATOM 1340 CG ARG A 84 -12.250 -16.627 -2.462 1.00 2.78 C ATOM 1341 CD ARG A 84 -10.950 -16.929 -1.692 1.00 2.72 C ATOM 1342 NE ARG A 84 -9.998 -15.802 -1.688 1.00 3.56 N ATOM 1343 CZ ARG A 84 -9.700 -14.932 -0.731 1.00 5.36 C ATOM 1344 NH1 ARG A 84 -10.268 -14.912 0.458 1.00 6.26 N ATOM 1345 NH2 ARG A 84 -8.792 -14.031 -1.005 1.00 6.98 N ATOM 0 H ARG A 84 -11.216 -13.698 -5.445 1.00 1.48 H new ATOM 0 HA ARG A 84 -13.577 -14.453 -3.858 1.00 1.80 H new ATOM 0 HB2 ARG A 84 -12.514 -16.571 -4.596 1.00 2.47 H new ATOM 0 HB3 ARG A 84 -10.950 -15.995 -4.054 1.00 2.47 H new ATOM 0 HG2 ARG A 84 -12.878 -15.974 -1.855 1.00 2.78 H new ATOM 0 HG3 ARG A 84 -12.801 -17.556 -2.605 1.00 2.78 H new ATOM 0 HD2 ARG A 84 -11.198 -17.190 -0.663 1.00 2.72 H new ATOM 0 HD3 ARG A 84 -10.468 -17.801 -2.135 1.00 2.72 H new ATOM 0 HE ARG A 84 -9.487 -15.670 -2.561 1.00 3.56 H new ATOM 0 HH11 ARG A 84 -10.988 -15.596 0.691 1.00 6.26 H new ATOM 0 HH12 ARG A 84 -9.988 -14.212 1.145 1.00 6.26 H new ATOM 0 HH21 ARG A 84 -8.347 -14.018 -1.922 1.00 6.98 H new ATOM 0 HH22 ARG A 84 -8.530 -13.341 -0.301 1.00 6.98 H new ATOM 1359 N ASP A 85 -11.314 -12.426 -3.241 1.00 1.24 N ATOM 1360 CA ASP A 85 -11.026 -11.356 -2.272 1.00 1.13 C ATOM 1361 C ASP A 85 -11.871 -10.096 -2.546 1.00 1.26 C ATOM 1362 O ASP A 85 -11.358 -9.145 -3.131 1.00 1.39 O ATOM 1363 CB ASP A 85 -9.504 -11.061 -2.207 1.00 1.19 C ATOM 1364 CG ASP A 85 -8.970 -10.933 -0.781 1.00 1.39 C ATOM 1365 OD1 ASP A 85 -9.728 -11.058 0.205 1.00 2.43 O ATOM 1366 OD2 ASP A 85 -7.732 -10.817 -0.631 1.00 1.87 O ATOM 0 H ASP A 85 -10.943 -12.251 -4.175 1.00 1.24 H new ATOM 0 HA ASP A 85 -11.321 -11.705 -1.283 1.00 1.13 H new ATOM 0 HB2 ASP A 85 -8.965 -11.858 -2.719 1.00 1.19 H new ATOM 0 HB3 ASP A 85 -9.297 -10.138 -2.749 1.00 1.19 H new ATOM 1371 N PRO A 86 -13.163 -10.038 -2.165 1.00 0.95 N ATOM 1372 CA PRO A 86 -13.994 -8.857 -2.390 1.00 0.96 C ATOM 1373 C PRO A 86 -13.561 -7.700 -1.468 1.00 0.98 C ATOM 1374 O PRO A 86 -13.092 -7.962 -0.353 1.00 0.77 O ATOM 1375 CB PRO A 86 -15.433 -9.305 -2.123 1.00 1.13 C ATOM 1376 CG PRO A 86 -15.255 -10.414 -1.087 1.00 1.13 C ATOM 1377 CD PRO A 86 -13.942 -11.075 -1.503 1.00 1.06 C ATOM 0 HA PRO A 86 -13.895 -8.473 -3.405 1.00 0.96 H new ATOM 0 HB2 PRO A 86 -16.046 -8.489 -1.741 1.00 1.13 H new ATOM 0 HB3 PRO A 86 -15.917 -9.671 -3.028 1.00 1.13 H new ATOM 0 HG2 PRO A 86 -15.201 -10.014 -0.075 1.00 1.13 H new ATOM 0 HG3 PRO A 86 -16.085 -11.120 -1.107 1.00 1.13 H new ATOM 0 HD2 PRO A 86 -13.411 -11.468 -0.636 1.00 1.06 H new ATOM 0 HD3 PRO A 86 -14.123 -11.915 -2.174 1.00 1.06 H new ATOM 1385 N PRO A 87 -13.747 -6.431 -1.888 1.00 0.57 N ATOM 1386 CA PRO A 87 -13.194 -5.259 -1.204 1.00 0.69 C ATOM 1387 C PRO A 87 -13.601 -5.184 0.268 1.00 0.93 C ATOM 1388 O PRO A 87 -12.754 -4.900 1.103 1.00 0.85 O ATOM 1389 CB PRO A 87 -13.679 -4.033 -1.987 1.00 0.85 C ATOM 1390 CG PRO A 87 -14.828 -4.550 -2.851 1.00 0.89 C ATOM 1391 CD PRO A 87 -14.462 -6.013 -3.086 1.00 0.70 C ATOM 0 HA PRO A 87 -12.106 -5.314 -1.187 1.00 0.69 H new ATOM 0 HB2 PRO A 87 -14.014 -3.242 -1.316 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -12.881 -3.614 -2.600 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -15.788 -4.452 -2.344 1.00 0.89 H new ATOM 0 HG3 PRO A 87 -14.905 -3.999 -3.789 1.00 0.89 H new ATOM 0 HD2 PRO A 87 -15.353 -6.620 -3.243 1.00 0.70 H new ATOM 0 HD3 PRO A 87 -13.840 -6.124 -3.974 1.00 0.70 H new ATOM 1399 N GLU A 88 -14.853 -5.515 0.602 1.00 0.60 N ATOM 1400 CA GLU A 88 -15.354 -5.563 1.980 1.00 0.65 C ATOM 1401 C GLU A 88 -14.578 -6.545 2.878 1.00 0.96 C ATOM 1402 O GLU A 88 -14.376 -6.267 4.056 1.00 1.16 O ATOM 1403 CB GLU A 88 -16.840 -5.963 1.934 1.00 0.93 C ATOM 1404 CG GLU A 88 -17.770 -4.786 1.601 1.00 1.62 C ATOM 1405 CD GLU A 88 -18.134 -4.039 2.881 1.00 3.02 C ATOM 1406 OE1 GLU A 88 -17.298 -3.257 3.376 1.00 4.36 O ATOM 1407 OE2 GLU A 88 -19.162 -4.393 3.493 1.00 3.42 O ATOM 0 H GLU A 88 -15.560 -5.762 -0.091 1.00 0.60 H new ATOM 0 HA GLU A 88 -15.217 -4.576 2.421 1.00 0.65 H new ATOM 0 HB2 GLU A 88 -16.976 -6.748 1.190 1.00 0.93 H new ATOM 0 HB3 GLU A 88 -17.127 -6.384 2.898 1.00 0.93 H new ATOM 0 HG2 GLU A 88 -17.280 -4.110 0.901 1.00 1.62 H new ATOM 0 HG3 GLU A 88 -18.673 -5.151 1.112 1.00 1.62 H new ATOM 1414 N VAL A 89 -14.146 -7.699 2.358 1.00 0.68 N ATOM 1415 CA VAL A 89 -13.370 -8.694 3.127 1.00 0.78 C ATOM 1416 C VAL A 89 -11.905 -8.280 3.297 1.00 0.94 C ATOM 1417 O VAL A 89 -11.375 -8.339 4.408 1.00 0.90 O ATOM 1418 CB VAL A 89 -13.519 -10.118 2.551 1.00 0.96 C ATOM 1419 CG1 VAL A 89 -12.621 -11.130 3.283 1.00 1.16 C ATOM 1420 CG2 VAL A 89 -14.982 -10.566 2.715 1.00 1.32 C ATOM 0 H VAL A 89 -14.322 -7.975 1.392 1.00 0.68 H new ATOM 0 HA VAL A 89 -13.798 -8.721 4.129 1.00 0.78 H new ATOM 0 HB VAL A 89 -13.222 -10.089 1.503 1.00 0.96 H new ATOM 0 HG11 VAL A 89 -12.757 -12.119 2.846 1.00 1.16 H new ATOM 0 HG12 VAL A 89 -11.578 -10.829 3.184 1.00 1.16 H new ATOM 0 HG13 VAL A 89 -12.891 -11.159 4.339 1.00 1.16 H new ATOM 0 HG21 VAL A 89 -15.102 -11.572 2.312 1.00 1.32 H new ATOM 0 HG22 VAL A 89 -15.246 -10.565 3.772 1.00 1.32 H new ATOM 0 HG23 VAL A 89 -15.635 -9.879 2.177 1.00 1.32 H new ATOM 1430 N ALA A 90 -11.258 -7.817 2.216 1.00 0.74 N ATOM 1431 CA ALA A 90 -9.910 -7.242 2.278 1.00 0.86 C ATOM 1432 C ALA A 90 -9.851 -6.003 3.196 1.00 0.95 C ATOM 1433 O ALA A 90 -8.858 -5.786 3.889 1.00 1.07 O ATOM 1434 CB ALA A 90 -9.458 -6.937 0.843 1.00 0.96 C ATOM 0 H ALA A 90 -11.656 -7.832 1.277 1.00 0.74 H new ATOM 0 HA ALA A 90 -9.221 -7.958 2.727 1.00 0.86 H new ATOM 0 HB1 ALA A 90 -8.456 -6.508 0.861 1.00 0.96 H new ATOM 0 HB2 ALA A 90 -9.447 -7.859 0.261 1.00 0.96 H new ATOM 0 HB3 ALA A 90 -10.149 -6.228 0.387 1.00 0.96 H new ATOM 1440 N ASP A 91 -10.940 -5.243 3.282 1.00 0.77 N ATOM 1441 CA ASP A 91 -11.085 -4.136 4.224 1.00 0.81 C ATOM 1442 C ASP A 91 -11.023 -4.602 5.675 1.00 1.25 C ATOM 1443 O ASP A 91 -10.295 -3.997 6.455 1.00 1.30 O ATOM 1444 CB ASP A 91 -12.388 -3.393 3.943 1.00 0.86 C ATOM 1445 CG ASP A 91 -12.556 -2.223 4.901 1.00 1.11 C ATOM 1446 OD1 ASP A 91 -11.828 -1.216 4.742 1.00 1.48 O ATOM 1447 OD2 ASP A 91 -13.398 -2.317 5.825 1.00 2.20 O ATOM 0 H ASP A 91 -11.759 -5.381 2.690 1.00 0.77 H new ATOM 0 HA ASP A 91 -10.244 -3.457 4.080 1.00 0.81 H new ATOM 0 HB2 ASP A 91 -12.392 -3.031 2.915 1.00 0.86 H new ATOM 0 HB3 ASP A 91 -13.231 -4.076 4.044 1.00 0.86 H new ATOM 1452 N ARG A 92 -11.711 -5.690 6.041 1.00 0.98 N ATOM 1453 CA ARG A 92 -11.645 -6.211 7.411 1.00 1.09 C ATOM 1454 C ARG A 92 -10.199 -6.508 7.806 1.00 1.48 C ATOM 1455 O ARG A 92 -9.782 -6.191 8.916 1.00 1.78 O ATOM 1456 CB ARG A 92 -12.495 -7.477 7.597 1.00 1.21 C ATOM 1457 CG ARG A 92 -13.921 -7.435 7.043 1.00 1.13 C ATOM 1458 CD ARG A 92 -14.623 -6.084 7.246 1.00 1.74 C ATOM 1459 NE ARG A 92 -16.030 -6.108 6.827 1.00 2.40 N ATOM 1460 CZ ARG A 92 -16.626 -5.202 6.056 1.00 3.78 C ATOM 1461 NH1 ARG A 92 -16.031 -4.112 5.619 1.00 5.01 N ATOM 1462 NH2 ARG A 92 -17.874 -5.396 5.698 1.00 4.73 N ATOM 0 H ARG A 92 -12.314 -6.222 5.414 1.00 0.98 H new ATOM 0 HA ARG A 92 -12.052 -5.435 8.059 1.00 1.09 H new ATOM 0 HB2 ARG A 92 -11.972 -8.310 7.127 1.00 1.21 H new ATOM 0 HB3 ARG A 92 -12.551 -7.696 8.663 1.00 1.21 H new ATOM 0 HG2 ARG A 92 -13.894 -7.664 5.978 1.00 1.13 H new ATOM 0 HG3 ARG A 92 -14.511 -8.216 7.522 1.00 1.13 H new ATOM 0 HD2 ARG A 92 -14.566 -5.804 8.298 1.00 1.74 H new ATOM 0 HD3 ARG A 92 -14.093 -5.316 6.683 1.00 1.74 H new ATOM 0 HE ARG A 92 -16.600 -6.887 7.156 1.00 2.40 H new ATOM 0 HH11 ARG A 92 -15.060 -3.926 5.869 1.00 5.01 H new ATOM 0 HH12 ARG A 92 -16.541 -3.454 5.030 1.00 5.01 H new ATOM 0 HH21 ARG A 92 -18.370 -6.230 6.011 1.00 4.73 H new ATOM 0 HH22 ARG A 92 -18.347 -4.712 5.107 1.00 4.73 H new ATOM 1476 N TYR A 93 -9.425 -7.074 6.880 1.00 1.04 N ATOM 1477 CA TYR A 93 -8.004 -7.342 7.084 1.00 1.08 C ATOM 1478 C TYR A 93 -7.134 -6.083 7.241 1.00 1.24 C ATOM 1479 O TYR A 93 -6.285 -6.025 8.128 1.00 1.52 O ATOM 1480 CB TYR A 93 -7.503 -8.185 5.916 1.00 1.09 C ATOM 1481 CG TYR A 93 -6.101 -8.681 6.165 1.00 1.42 C ATOM 1482 CD1 TYR A 93 -5.857 -9.506 7.276 1.00 1.81 C ATOM 1483 CD2 TYR A 93 -5.038 -8.236 5.358 1.00 2.84 C ATOM 1484 CE1 TYR A 93 -4.548 -9.917 7.574 1.00 1.88 C ATOM 1485 CE2 TYR A 93 -3.723 -8.632 5.661 1.00 3.30 C ATOM 1486 CZ TYR A 93 -3.480 -9.460 6.775 1.00 2.26 C ATOM 1487 OH TYR A 93 -2.207 -9.797 7.093 1.00 2.87 O ATOM 0 H TYR A 93 -9.769 -7.360 5.963 1.00 1.04 H new ATOM 0 HA TYR A 93 -7.911 -7.872 8.032 1.00 1.08 H new ATOM 0 HB2 TYR A 93 -8.170 -9.033 5.764 1.00 1.09 H new ATOM 0 HB3 TYR A 93 -7.525 -7.593 5.001 1.00 1.09 H new ATOM 0 HD1 TYR A 93 -6.678 -9.824 7.902 1.00 1.81 H new ATOM 0 HD2 TYR A 93 -5.231 -7.594 4.511 1.00 2.84 H new ATOM 0 HE1 TYR A 93 -4.361 -10.577 8.408 1.00 1.88 H new ATOM 0 HE2 TYR A 93 -2.902 -8.302 5.042 1.00 3.30 H new ATOM 0 HH TYR A 93 -2.208 -10.355 7.899 1.00 2.87 H new ATOM 1497 N ALA A 94 -7.371 -5.056 6.425 1.00 0.88 N ATOM 1498 CA ALA A 94 -6.709 -3.753 6.587 1.00 0.82 C ATOM 1499 C ALA A 94 -7.030 -3.133 7.968 1.00 1.03 C ATOM 1500 O ALA A 94 -6.140 -2.765 8.739 1.00 1.16 O ATOM 1501 CB ALA A 94 -7.146 -2.856 5.420 1.00 0.73 C ATOM 0 H ALA A 94 -8.020 -5.098 5.639 1.00 0.88 H new ATOM 0 HA ALA A 94 -5.625 -3.867 6.561 1.00 0.82 H new ATOM 0 HB1 ALA A 94 -6.670 -1.880 5.513 1.00 0.73 H new ATOM 0 HB2 ALA A 94 -6.850 -3.316 4.477 1.00 0.73 H new ATOM 0 HB3 ALA A 94 -8.229 -2.735 5.440 1.00 0.73 H new ATOM 1507 N LYS A 95 -8.320 -3.097 8.301 1.00 0.99 N ATOM 1508 CA LYS A 95 -8.865 -2.527 9.536 1.00 1.15 C ATOM 1509 C LYS A 95 -8.458 -3.316 10.796 1.00 1.53 C ATOM 1510 O LYS A 95 -8.311 -2.709 11.857 1.00 1.77 O ATOM 1511 CB LYS A 95 -10.397 -2.441 9.424 1.00 1.32 C ATOM 1512 CG LYS A 95 -10.940 -1.580 8.267 1.00 1.82 C ATOM 1513 CD LYS A 95 -11.077 -0.088 8.599 1.00 1.38 C ATOM 1514 CE LYS A 95 -11.591 0.716 7.392 1.00 1.25 C ATOM 1515 NZ LYS A 95 -12.882 0.224 6.856 1.00 1.74 N ATOM 0 H LYS A 95 -9.045 -3.480 7.694 1.00 0.99 H new ATOM 0 HA LYS A 95 -8.440 -1.530 9.652 1.00 1.15 H new ATOM 0 HB2 LYS A 95 -10.791 -3.451 9.315 1.00 1.32 H new ATOM 0 HB3 LYS A 95 -10.789 -2.045 10.361 1.00 1.32 H new ATOM 0 HG2 LYS A 95 -10.279 -1.689 7.407 1.00 1.82 H new ATOM 0 HG3 LYS A 95 -11.916 -1.965 7.970 1.00 1.82 H new ATOM 0 HD2 LYS A 95 -11.761 0.037 9.438 1.00 1.38 H new ATOM 0 HD3 LYS A 95 -10.111 0.305 8.914 1.00 1.38 H new ATOM 0 HE2 LYS A 95 -11.703 1.760 7.683 1.00 1.25 H new ATOM 0 HE3 LYS A 95 -10.843 0.684 6.600 1.00 1.25 H new ATOM 0 HZ1 LYS A 95 -12.760 -0.062 5.864 1.00 1.74 H new ATOM 0 HZ2 LYS A 95 -13.201 -0.593 7.415 1.00 1.74 H new ATOM 0 HZ3 LYS A 95 -13.593 0.981 6.913 1.00 1.74 H new ATOM 1529 N ALA A 96 -8.242 -4.636 10.692 1.00 1.35 N ATOM 1530 CA ALA A 96 -7.819 -5.489 11.805 1.00 1.54 C ATOM 1531 C ALA A 96 -6.426 -5.128 12.334 1.00 1.65 C ATOM 1532 O ALA A 96 -6.158 -5.344 13.511 1.00 1.93 O ATOM 1533 CB ALA A 96 -7.869 -6.950 11.349 1.00 1.60 C ATOM 0 H ALA A 96 -8.359 -5.146 9.816 1.00 1.35 H new ATOM 0 HA ALA A 96 -8.505 -5.330 12.637 1.00 1.54 H new ATOM 0 HB1 ALA A 96 -7.556 -7.598 12.168 1.00 1.60 H new ATOM 0 HB2 ALA A 96 -8.887 -7.204 11.054 1.00 1.60 H new ATOM 0 HB3 ALA A 96 -7.199 -7.089 10.500 1.00 1.60 H new ATOM 1539 N PHE A 97 -5.577 -4.533 11.487 1.00 1.47 N ATOM 1540 CA PHE A 97 -4.345 -3.881 11.918 1.00 1.46 C ATOM 1541 C PHE A 97 -4.578 -2.449 12.386 1.00 1.97 C ATOM 1542 O PHE A 97 -4.027 -2.060 13.421 1.00 2.24 O ATOM 1543 CB PHE A 97 -3.307 -3.969 10.794 1.00 1.50 C ATOM 1544 CG PHE A 97 -2.685 -5.340 10.839 1.00 1.60 C ATOM 1545 CD1 PHE A 97 -3.258 -6.400 10.115 1.00 2.67 C ATOM 1546 CD2 PHE A 97 -1.685 -5.589 11.793 1.00 2.38 C ATOM 1547 CE1 PHE A 97 -2.862 -7.721 10.380 1.00 2.70 C ATOM 1548 CE2 PHE A 97 -1.286 -6.910 12.056 1.00 2.37 C ATOM 1549 CZ PHE A 97 -1.889 -7.975 11.365 1.00 1.72 C ATOM 0 H PHE A 97 -5.731 -4.493 10.479 1.00 1.47 H new ATOM 0 HA PHE A 97 -3.958 -4.407 12.791 1.00 1.46 H new ATOM 0 HB2 PHE A 97 -3.778 -3.796 9.826 1.00 1.50 H new ATOM 0 HB3 PHE A 97 -2.544 -3.200 10.919 1.00 1.50 H new ATOM 0 HD1 PHE A 97 -4.001 -6.199 9.357 1.00 2.67 H new ATOM 0 HD2 PHE A 97 -1.224 -4.768 12.322 1.00 2.38 H new ATOM 0 HE1 PHE A 97 -3.303 -8.539 9.830 1.00 2.70 H new ATOM 0 HE2 PHE A 97 -0.517 -7.107 12.788 1.00 2.37 H new ATOM 0 HZ PHE A 97 -1.605 -8.992 11.591 1.00 1.72 H new ATOM 1559 N HIS A 98 -5.374 -1.656 11.664 1.00 1.44 N ATOM 1560 CA HIS A 98 -5.602 -0.270 12.063 1.00 1.44 C ATOM 1561 C HIS A 98 -6.857 0.388 11.451 1.00 1.62 C ATOM 1562 O HIS A 98 -7.089 0.242 10.254 1.00 1.64 O ATOM 1563 CB HIS A 98 -4.325 0.529 11.741 1.00 1.46 C ATOM 1564 CG HIS A 98 -3.957 1.489 12.838 1.00 1.81 C ATOM 1565 ND1 HIS A 98 -3.759 2.850 12.739 1.00 2.32 N ATOM 1566 CD2 HIS A 98 -3.782 1.158 14.151 1.00 2.82 C ATOM 1567 CE1 HIS A 98 -3.506 3.312 13.973 1.00 3.29 C ATOM 1568 NE2 HIS A 98 -3.490 2.307 14.868 1.00 3.58 N ATOM 0 H HIS A 98 -5.862 -1.945 10.816 1.00 1.44 H new ATOM 0 HA HIS A 98 -5.811 -0.265 13.133 1.00 1.44 H new ATOM 0 HB2 HIS A 98 -3.499 -0.163 11.575 1.00 1.46 H new ATOM 0 HB3 HIS A 98 -4.470 1.081 10.812 1.00 1.46 H new ATOM 0 HD2 HIS A 98 -3.859 0.163 14.563 1.00 2.82 H new ATOM 0 HE1 HIS A 98 -3.338 4.351 14.216 1.00 3.29 H new ATOM 0 HE2 HIS A 98 -3.302 2.377 15.868 1.00 3.58 H new ATOM 1577 N PRO A 99 -7.629 1.194 12.214 1.00 1.41 N ATOM 1578 CA PRO A 99 -8.840 1.841 11.712 1.00 1.46 C ATOM 1579 C PRO A 99 -8.572 2.985 10.717 1.00 1.52 C ATOM 1580 O PRO A 99 -9.483 3.349 9.982 1.00 1.46 O ATOM 1581 CB PRO A 99 -9.581 2.336 12.959 1.00 1.71 C ATOM 1582 CG PRO A 99 -8.455 2.599 13.954 1.00 1.79 C ATOM 1583 CD PRO A 99 -7.459 1.488 13.633 1.00 1.64 C ATOM 0 HA PRO A 99 -9.430 1.132 11.131 1.00 1.46 H new ATOM 0 HB2 PRO A 99 -10.156 3.239 12.754 1.00 1.71 H new ATOM 0 HB3 PRO A 99 -10.282 1.590 13.333 1.00 1.71 H new ATOM 0 HG2 PRO A 99 -8.017 3.588 13.818 1.00 1.79 H new ATOM 0 HG3 PRO A 99 -8.804 2.544 14.985 1.00 1.79 H new ATOM 0 HD2 PRO A 99 -6.438 1.805 13.846 1.00 1.64 H new ATOM 0 HD3 PRO A 99 -7.651 0.604 14.241 1.00 1.64 H new ATOM 1591 N SER A 100 -7.349 3.530 10.642 1.00 1.35 N ATOM 1592 CA SER A 100 -6.961 4.514 9.607 1.00 1.40 C ATOM 1593 C SER A 100 -6.516 3.847 8.277 1.00 1.45 C ATOM 1594 O SER A 100 -5.917 4.498 7.414 1.00 1.56 O ATOM 1595 CB SER A 100 -5.880 5.455 10.179 1.00 1.60 C ATOM 1596 OG SER A 100 -6.010 6.763 9.649 1.00 1.99 O ATOM 0 H SER A 100 -6.598 3.305 11.294 1.00 1.35 H new ATOM 0 HA SER A 100 -7.841 5.102 9.348 1.00 1.40 H new ATOM 0 HB2 SER A 100 -5.962 5.490 11.265 1.00 1.60 H new ATOM 0 HB3 SER A 100 -4.891 5.061 9.946 1.00 1.60 H new ATOM 0 HG SER A 100 -5.456 7.383 10.168 1.00 1.99 H new ATOM 1602 N PHE A 101 -6.737 2.529 8.125 1.00 1.14 N ATOM 1603 CA PHE A 101 -6.402 1.759 6.921 1.00 1.06 C ATOM 1604 C PHE A 101 -7.676 1.417 6.124 1.00 1.84 C ATOM 1605 O PHE A 101 -8.781 1.440 6.664 1.00 2.28 O ATOM 1606 CB PHE A 101 -5.652 0.464 7.290 1.00 1.12 C ATOM 1607 CG PHE A 101 -4.254 0.538 7.894 1.00 1.38 C ATOM 1608 CD1 PHE A 101 -3.674 1.740 8.359 1.00 2.28 C ATOM 1609 CD2 PHE A 101 -3.487 -0.644 7.921 1.00 2.68 C ATOM 1610 CE1 PHE A 101 -2.341 1.765 8.805 1.00 2.44 C ATOM 1611 CE2 PHE A 101 -2.143 -0.614 8.334 1.00 2.83 C ATOM 1612 CZ PHE A 101 -1.566 0.597 8.744 1.00 2.02 C ATOM 0 H PHE A 101 -7.164 1.959 8.855 1.00 1.14 H new ATOM 0 HA PHE A 101 -5.751 2.375 6.300 1.00 1.06 H new ATOM 0 HB2 PHE A 101 -6.280 -0.085 7.992 1.00 1.12 H new ATOM 0 HB3 PHE A 101 -5.582 -0.139 6.385 1.00 1.12 H new ATOM 0 HD1 PHE A 101 -4.260 2.647 8.372 1.00 2.28 H new ATOM 0 HD2 PHE A 101 -3.935 -1.580 7.622 1.00 2.68 H new ATOM 0 HE1 PHE A 101 -1.916 2.679 9.193 1.00 2.44 H new ATOM 0 HE2 PHE A 101 -1.557 -1.521 8.335 1.00 2.83 H new ATOM 0 HZ PHE A 101 -0.521 0.630 9.014 1.00 2.02 H new ATOM 1622 N LEU A 102 -7.514 1.047 4.849 1.00 1.14 N ATOM 1623 CA LEU A 102 -8.609 0.750 3.908 1.00 1.03 C ATOM 1624 C LEU A 102 -8.289 -0.463 3.024 1.00 1.21 C ATOM 1625 O LEU A 102 -7.160 -0.570 2.542 1.00 1.45 O ATOM 1626 CB LEU A 102 -8.823 2.005 3.031 1.00 1.04 C ATOM 1627 CG LEU A 102 -9.988 1.916 2.021 1.00 1.28 C ATOM 1628 CD1 LEU A 102 -11.350 1.782 2.720 1.00 1.36 C ATOM 1629 CD2 LEU A 102 -9.989 3.167 1.131 1.00 1.92 C ATOM 0 H LEU A 102 -6.591 0.942 4.427 1.00 1.14 H new ATOM 0 HA LEU A 102 -9.511 0.503 4.468 1.00 1.03 H new ATOM 0 HB2 LEU A 102 -8.996 2.859 3.685 1.00 1.04 H new ATOM 0 HB3 LEU A 102 -7.903 2.205 2.482 1.00 1.04 H new ATOM 0 HG LEU A 102 -9.837 1.021 1.418 1.00 1.28 H new ATOM 0 HD11 LEU A 102 -12.139 1.723 1.971 1.00 1.36 H new ATOM 0 HD12 LEU A 102 -11.359 0.878 3.329 1.00 1.36 H new ATOM 0 HD13 LEU A 102 -11.519 2.650 3.357 1.00 1.36 H new ATOM 0 HD21 LEU A 102 -10.811 3.105 0.418 1.00 1.92 H new ATOM 0 HD22 LEU A 102 -10.113 4.055 1.751 1.00 1.92 H new ATOM 0 HD23 LEU A 102 -9.044 3.230 0.591 1.00 1.92 H new ATOM 1641 N GLY A 103 -9.275 -1.322 2.742 1.00 0.79 N ATOM 1642 CA GLY A 103 -9.134 -2.399 1.750 1.00 0.70 C ATOM 1643 C GLY A 103 -9.740 -2.046 0.396 1.00 0.63 C ATOM 1644 O GLY A 103 -10.842 -1.503 0.320 1.00 0.70 O ATOM 0 H GLY A 103 -10.190 -1.292 3.192 1.00 0.79 H new ATOM 0 HA2 GLY A 103 -8.077 -2.629 1.620 1.00 0.70 H new ATOM 0 HA3 GLY A 103 -9.612 -3.301 2.131 1.00 0.70 H new ATOM 1648 N LEU A 104 -9.029 -2.383 -0.680 1.00 0.56 N ATOM 1649 CA LEU A 104 -9.486 -2.276 -2.064 1.00 0.59 C ATOM 1650 C LEU A 104 -9.343 -3.635 -2.761 1.00 1.18 C ATOM 1651 O LEU A 104 -8.328 -4.313 -2.651 1.00 1.48 O ATOM 1652 CB LEU A 104 -8.657 -1.217 -2.814 1.00 0.74 C ATOM 1653 CG LEU A 104 -8.732 0.232 -2.294 1.00 0.76 C ATOM 1654 CD1 LEU A 104 -7.883 1.112 -3.221 1.00 1.08 C ATOM 1655 CD2 LEU A 104 -10.151 0.815 -2.260 1.00 1.10 C ATOM 0 H LEU A 104 -8.081 -2.753 -0.607 1.00 0.56 H new ATOM 0 HA LEU A 104 -10.534 -1.975 -2.070 1.00 0.59 H new ATOM 0 HB2 LEU A 104 -7.613 -1.529 -2.795 1.00 0.74 H new ATOM 0 HB3 LEU A 104 -8.971 -1.218 -3.858 1.00 0.74 H new ATOM 0 HG LEU A 104 -8.371 0.217 -1.266 1.00 0.76 H new ATOM 0 HD11 LEU A 104 -7.919 2.145 -2.875 1.00 1.08 H new ATOM 0 HD12 LEU A 104 -6.851 0.761 -3.211 1.00 1.08 H new ATOM 0 HD13 LEU A 104 -8.276 1.056 -4.236 1.00 1.08 H new ATOM 0 HD21 LEU A 104 -10.116 1.837 -1.882 1.00 1.10 H new ATOM 0 HD22 LEU A 104 -10.569 0.815 -3.267 1.00 1.10 H new ATOM 0 HD23 LEU A 104 -10.778 0.208 -1.607 1.00 1.10 H new ATOM 1667 N SER A 105 -10.366 -4.059 -3.489 1.00 0.58 N ATOM 1668 CA SER A 105 -10.275 -5.097 -4.512 1.00 0.63 C ATOM 1669 C SER A 105 -11.345 -4.798 -5.564 1.00 0.87 C ATOM 1670 O SER A 105 -12.399 -4.272 -5.203 1.00 1.13 O ATOM 1671 CB SER A 105 -10.472 -6.478 -3.905 1.00 0.71 C ATOM 1672 OG SER A 105 -10.054 -7.482 -4.809 1.00 1.02 O ATOM 0 H SER A 105 -11.308 -3.682 -3.384 1.00 0.58 H new ATOM 0 HA SER A 105 -9.286 -5.095 -4.969 1.00 0.63 H new ATOM 0 HB2 SER A 105 -9.906 -6.558 -2.977 1.00 0.71 H new ATOM 0 HB3 SER A 105 -11.522 -6.623 -3.651 1.00 0.71 H new ATOM 0 HG SER A 105 -10.390 -8.352 -4.509 1.00 1.02 H new ATOM 1678 N GLY A 106 -11.108 -5.123 -6.832 1.00 0.83 N ATOM 1679 CA GLY A 106 -12.060 -4.831 -7.902 1.00 0.98 C ATOM 1680 C GLY A 106 -11.980 -5.790 -9.065 1.00 0.97 C ATOM 1681 O GLY A 106 -11.405 -6.871 -8.969 1.00 1.05 O ATOM 0 H GLY A 106 -10.259 -5.592 -7.146 1.00 0.83 H new ATOM 0 HA2 GLY A 106 -13.070 -4.853 -7.493 1.00 0.98 H new ATOM 0 HA3 GLY A 106 -11.885 -3.818 -8.265 1.00 0.98 H new ATOM 1685 N SER A 107 -12.556 -5.368 -10.183 1.00 0.81 N ATOM 1686 CA SER A 107 -12.487 -6.113 -11.436 1.00 0.85 C ATOM 1687 C SER A 107 -11.025 -6.424 -11.848 1.00 1.04 C ATOM 1688 O SER A 107 -10.100 -5.663 -11.514 1.00 1.11 O ATOM 1689 CB SER A 107 -13.281 -5.358 -12.516 1.00 1.02 C ATOM 1690 OG SER A 107 -12.474 -4.466 -13.261 1.00 1.87 O ATOM 0 H SER A 107 -13.085 -4.498 -10.248 1.00 0.81 H new ATOM 0 HA SER A 107 -12.950 -7.091 -11.303 1.00 0.85 H new ATOM 0 HB2 SER A 107 -13.741 -6.078 -13.193 1.00 1.02 H new ATOM 0 HB3 SER A 107 -14.091 -4.802 -12.044 1.00 1.02 H new ATOM 0 HG SER A 107 -12.423 -4.770 -14.191 1.00 1.87 H new ATOM 1696 N PRO A 108 -10.778 -7.529 -12.580 1.00 0.93 N ATOM 1697 CA PRO A 108 -9.422 -7.937 -12.935 1.00 1.05 C ATOM 1698 C PRO A 108 -8.719 -6.905 -13.821 1.00 1.23 C ATOM 1699 O PRO A 108 -7.499 -6.806 -13.745 1.00 1.17 O ATOM 1700 CB PRO A 108 -9.558 -9.302 -13.622 1.00 1.29 C ATOM 1701 CG PRO A 108 -10.996 -9.319 -14.131 1.00 1.19 C ATOM 1702 CD PRO A 108 -11.749 -8.480 -13.099 1.00 1.02 C ATOM 0 HA PRO A 108 -8.791 -8.009 -12.049 1.00 1.05 H new ATOM 0 HB2 PRO A 108 -8.844 -9.410 -14.439 1.00 1.29 H new ATOM 0 HB3 PRO A 108 -9.372 -10.119 -12.925 1.00 1.29 H new ATOM 0 HG2 PRO A 108 -11.073 -8.891 -15.130 1.00 1.19 H new ATOM 0 HG3 PRO A 108 -11.390 -10.334 -14.188 1.00 1.19 H new ATOM 0 HD2 PRO A 108 -12.595 -7.966 -13.555 1.00 1.02 H new ATOM 0 HD3 PRO A 108 -12.148 -9.106 -12.301 1.00 1.02 H new ATOM 1710 N GLU A 109 -9.466 -6.110 -14.594 1.00 0.86 N ATOM 1711 CA GLU A 109 -8.979 -4.963 -15.365 1.00 0.84 C ATOM 1712 C GLU A 109 -8.558 -3.825 -14.424 1.00 1.01 C ATOM 1713 O GLU A 109 -7.447 -3.308 -14.523 1.00 1.24 O ATOM 1714 CB GLU A 109 -10.057 -4.428 -16.336 1.00 0.94 C ATOM 1715 CG GLU A 109 -10.786 -5.480 -17.192 1.00 1.20 C ATOM 1716 CD GLU A 109 -11.791 -6.334 -16.412 1.00 2.07 C ATOM 1717 OE1 GLU A 109 -12.136 -5.963 -15.264 1.00 2.98 O ATOM 1718 OE2 GLU A 109 -12.158 -7.407 -16.927 1.00 2.96 O ATOM 0 H GLU A 109 -10.470 -6.255 -14.704 1.00 0.86 H new ATOM 0 HA GLU A 109 -8.123 -5.308 -15.944 1.00 0.84 H new ATOM 0 HB2 GLU A 109 -10.802 -3.884 -15.755 1.00 0.94 H new ATOM 0 HB3 GLU A 109 -9.587 -3.708 -17.006 1.00 0.94 H new ATOM 0 HG2 GLU A 109 -11.309 -4.974 -18.004 1.00 1.20 H new ATOM 0 HG3 GLU A 109 -10.046 -6.136 -17.650 1.00 1.20 H new ATOM 1725 N ALA A 110 -9.406 -3.453 -13.462 1.00 0.72 N ATOM 1726 CA ALA A 110 -9.093 -2.406 -12.492 1.00 0.68 C ATOM 1727 C ALA A 110 -7.842 -2.760 -11.668 1.00 0.89 C ATOM 1728 O ALA A 110 -6.925 -1.939 -11.544 1.00 0.93 O ATOM 1729 CB ALA A 110 -10.341 -2.192 -11.626 1.00 0.74 C ATOM 0 H ALA A 110 -10.328 -3.870 -13.335 1.00 0.72 H new ATOM 0 HA ALA A 110 -8.844 -1.472 -12.996 1.00 0.68 H new ATOM 0 HB1 ALA A 110 -10.143 -1.415 -10.888 1.00 0.74 H new ATOM 0 HB2 ALA A 110 -11.175 -1.888 -12.259 1.00 0.74 H new ATOM 0 HB3 ALA A 110 -10.593 -3.121 -11.115 1.00 0.74 H new ATOM 1735 N VAL A 111 -7.765 -4.008 -11.186 1.00 0.74 N ATOM 1736 CA VAL A 111 -6.559 -4.562 -10.529 1.00 0.81 C ATOM 1737 C VAL A 111 -5.344 -4.537 -11.478 1.00 1.15 C ATOM 1738 O VAL A 111 -4.261 -4.106 -11.075 1.00 1.01 O ATOM 1739 CB VAL A 111 -6.819 -5.997 -10.005 1.00 0.88 C ATOM 1740 CG1 VAL A 111 -5.551 -6.685 -9.467 1.00 1.39 C ATOM 1741 CG2 VAL A 111 -7.871 -5.990 -8.880 1.00 1.08 C ATOM 0 H VAL A 111 -8.539 -4.670 -11.238 1.00 0.74 H new ATOM 0 HA VAL A 111 -6.329 -3.927 -9.674 1.00 0.81 H new ATOM 0 HB VAL A 111 -7.177 -6.559 -10.867 1.00 0.88 H new ATOM 0 HG11 VAL A 111 -5.801 -7.686 -9.116 1.00 1.39 H new ATOM 0 HG12 VAL A 111 -4.809 -6.755 -10.263 1.00 1.39 H new ATOM 0 HG13 VAL A 111 -5.143 -6.102 -8.641 1.00 1.39 H new ATOM 0 HG21 VAL A 111 -8.036 -7.009 -8.529 1.00 1.08 H new ATOM 0 HG22 VAL A 111 -7.516 -5.375 -8.053 1.00 1.08 H new ATOM 0 HG23 VAL A 111 -8.807 -5.581 -9.260 1.00 1.08 H new ATOM 1751 N ARG A 112 -5.522 -4.946 -12.740 1.00 0.84 N ATOM 1752 CA ARG A 112 -4.478 -4.950 -13.771 1.00 0.90 C ATOM 1753 C ARG A 112 -3.897 -3.553 -14.000 1.00 1.09 C ATOM 1754 O ARG A 112 -2.670 -3.420 -13.951 1.00 1.20 O ATOM 1755 CB ARG A 112 -5.055 -5.561 -15.067 1.00 0.89 C ATOM 1756 CG ARG A 112 -4.252 -5.321 -16.346 1.00 1.53 C ATOM 1757 CD ARG A 112 -3.015 -6.197 -16.489 1.00 2.10 C ATOM 1758 NE ARG A 112 -2.094 -5.792 -17.575 1.00 3.10 N ATOM 1759 CZ ARG A 112 -2.189 -4.907 -18.575 1.00 4.12 C ATOM 1760 NH1 ARG A 112 -3.200 -4.099 -18.832 1.00 4.78 N ATOM 1761 NH2 ARG A 112 -1.141 -4.789 -19.363 1.00 5.24 N ATOM 0 H ARG A 112 -6.419 -5.292 -13.081 1.00 0.84 H new ATOM 0 HA ARG A 112 -3.644 -5.565 -13.433 1.00 0.90 H new ATOM 0 HB2 ARG A 112 -5.155 -6.637 -14.923 1.00 0.89 H new ATOM 0 HB3 ARG A 112 -6.060 -5.164 -15.214 1.00 0.89 H new ATOM 0 HG2 ARG A 112 -4.902 -5.489 -17.205 1.00 1.53 H new ATOM 0 HG3 ARG A 112 -3.947 -4.275 -16.377 1.00 1.53 H new ATOM 0 HD2 ARG A 112 -2.469 -6.188 -15.546 1.00 2.10 H new ATOM 0 HD3 ARG A 112 -3.332 -7.225 -16.664 1.00 2.10 H new ATOM 0 HE ARG A 112 -1.204 -6.290 -17.558 1.00 3.10 H new ATOM 0 HH11 ARG A 112 -4.026 -4.109 -18.233 1.00 4.78 H new ATOM 0 HH12 ARG A 112 -3.156 -3.464 -19.629 1.00 4.78 H new ATOM 0 HH21 ARG A 112 -0.311 -5.357 -19.196 1.00 5.24 H new ATOM 0 HH22 ARG A 112 -1.159 -4.129 -20.141 1.00 5.24 H new ATOM 1775 N GLU A 113 -4.714 -2.530 -14.252 1.00 0.93 N ATOM 1776 CA GLU A 113 -4.183 -1.211 -14.626 1.00 1.13 C ATOM 1777 C GLU A 113 -3.426 -0.546 -13.463 1.00 1.22 C ATOM 1778 O GLU A 113 -2.369 0.062 -13.657 1.00 1.17 O ATOM 1779 CB GLU A 113 -5.265 -0.292 -15.177 1.00 1.46 C ATOM 1780 CG GLU A 113 -5.983 -0.877 -16.397 1.00 1.82 C ATOM 1781 CD GLU A 113 -5.116 -1.650 -17.418 1.00 3.18 C ATOM 1782 OE1 GLU A 113 -4.113 -1.097 -17.915 1.00 3.61 O ATOM 1783 OE2 GLU A 113 -5.401 -2.842 -17.676 1.00 4.42 O ATOM 0 H GLU A 113 -5.732 -2.583 -14.206 1.00 0.93 H new ATOM 0 HA GLU A 113 -3.465 -1.382 -15.428 1.00 1.13 H new ATOM 0 HB2 GLU A 113 -5.996 -0.091 -14.394 1.00 1.46 H new ATOM 0 HB3 GLU A 113 -4.818 0.664 -15.449 1.00 1.46 H new ATOM 0 HG2 GLU A 113 -6.765 -1.547 -16.041 1.00 1.82 H new ATOM 0 HG3 GLU A 113 -6.478 -0.060 -16.923 1.00 1.82 H new ATOM 1790 N ALA A 114 -3.927 -0.724 -12.232 1.00 0.93 N ATOM 1791 CA ALA A 114 -3.239 -0.319 -11.006 1.00 0.86 C ATOM 1792 C ALA A 114 -1.843 -0.963 -10.919 1.00 1.06 C ATOM 1793 O ALA A 114 -0.838 -0.257 -10.830 1.00 1.17 O ATOM 1794 CB ALA A 114 -4.130 -0.689 -9.807 1.00 0.96 C ATOM 0 H ALA A 114 -4.834 -1.159 -12.062 1.00 0.93 H new ATOM 0 HA ALA A 114 -3.075 0.759 -11.003 1.00 0.86 H new ATOM 0 HB1 ALA A 114 -3.635 -0.395 -8.881 1.00 0.96 H new ATOM 0 HB2 ALA A 114 -5.084 -0.169 -9.889 1.00 0.96 H new ATOM 0 HB3 ALA A 114 -4.303 -1.765 -9.800 1.00 0.96 H new ATOM 1800 N ALA A 115 -1.774 -2.293 -10.996 1.00 0.73 N ATOM 1801 CA ALA A 115 -0.534 -3.058 -10.896 1.00 0.69 C ATOM 1802 C ALA A 115 0.484 -2.647 -11.972 1.00 0.89 C ATOM 1803 O ALA A 115 1.644 -2.379 -11.657 1.00 0.95 O ATOM 1804 CB ALA A 115 -0.905 -4.539 -11.012 1.00 0.72 C ATOM 0 H ALA A 115 -2.597 -2.879 -11.133 1.00 0.73 H new ATOM 0 HA ALA A 115 -0.048 -2.859 -9.941 1.00 0.69 H new ATOM 0 HB1 ALA A 115 -0.003 -5.147 -10.942 1.00 0.72 H new ATOM 0 HB2 ALA A 115 -1.587 -4.808 -10.205 1.00 0.72 H new ATOM 0 HB3 ALA A 115 -1.390 -4.719 -11.972 1.00 0.72 H new ATOM 1810 N GLN A 116 0.034 -2.527 -13.225 1.00 0.76 N ATOM 1811 CA GLN A 116 0.872 -2.082 -14.338 1.00 0.80 C ATOM 1812 C GLN A 116 1.506 -0.714 -14.099 1.00 1.17 C ATOM 1813 O GLN A 116 2.657 -0.524 -14.488 1.00 1.26 O ATOM 1814 CB GLN A 116 0.029 -1.999 -15.620 1.00 0.83 C ATOM 1815 CG GLN A 116 -0.310 -3.362 -16.234 1.00 1.33 C ATOM 1816 CD GLN A 116 0.858 -4.131 -16.863 1.00 2.22 C ATOM 1817 OE1 GLN A 116 0.718 -5.283 -17.254 1.00 2.35 O ATOM 1818 NE2 GLN A 116 2.031 -3.561 -17.038 1.00 3.47 N ATOM 0 H GLN A 116 -0.927 -2.737 -13.495 1.00 0.76 H new ATOM 0 HA GLN A 116 1.673 -2.815 -14.432 1.00 0.80 H new ATOM 0 HB2 GLN A 116 -0.899 -1.471 -15.399 1.00 0.83 H new ATOM 0 HB3 GLN A 116 0.567 -1.403 -16.358 1.00 0.83 H new ATOM 0 HG2 GLN A 116 -0.753 -3.986 -15.458 1.00 1.33 H new ATOM 0 HG3 GLN A 116 -1.073 -3.213 -16.998 1.00 1.33 H new ATOM 0 HE21 GLN A 116 2.184 -2.602 -16.725 1.00 3.47 H new ATOM 0 HE22 GLN A 116 2.787 -4.078 -17.487 1.00 3.47 H new ATOM 1827 N THR A 117 0.777 0.214 -13.468 1.00 0.78 N ATOM 1828 CA THR A 117 1.197 1.611 -13.284 1.00 0.83 C ATOM 1829 C THR A 117 2.404 1.725 -12.351 1.00 1.18 C ATOM 1830 O THR A 117 3.324 2.504 -12.608 1.00 1.11 O ATOM 1831 CB THR A 117 -0.011 2.420 -12.792 1.00 0.90 C ATOM 1832 OG1 THR A 117 -0.956 2.422 -13.832 1.00 1.18 O ATOM 1833 CG2 THR A 117 0.314 3.879 -12.483 1.00 1.04 C ATOM 0 H THR A 117 -0.138 0.013 -13.063 1.00 0.78 H new ATOM 0 HA THR A 117 1.532 2.023 -14.236 1.00 0.83 H new ATOM 0 HB THR A 117 -0.363 1.958 -11.870 1.00 0.90 H new ATOM 0 HG1 THR A 117 -1.488 1.600 -13.792 1.00 1.18 H new ATOM 0 HG21 THR A 117 -0.587 4.388 -12.141 1.00 1.04 H new ATOM 0 HG22 THR A 117 1.075 3.925 -11.704 1.00 1.04 H new ATOM 0 HG23 THR A 117 0.687 4.367 -13.383 1.00 1.04 H new ATOM 1841 N PHE A 118 2.392 0.962 -11.260 1.00 0.87 N ATOM 1842 CA PHE A 118 3.515 0.776 -10.337 1.00 0.97 C ATOM 1843 C PHE A 118 4.631 -0.169 -10.821 1.00 2.03 C ATOM 1844 O PHE A 118 5.723 -0.140 -10.257 1.00 2.38 O ATOM 1845 CB PHE A 118 2.930 0.396 -8.971 1.00 0.95 C ATOM 1846 CG PHE A 118 2.114 1.544 -8.412 1.00 0.99 C ATOM 1847 CD1 PHE A 118 2.758 2.708 -7.954 1.00 2.19 C ATOM 1848 CD2 PHE A 118 0.714 1.519 -8.506 1.00 1.98 C ATOM 1849 CE1 PHE A 118 2.003 3.842 -7.612 1.00 2.04 C ATOM 1850 CE2 PHE A 118 -0.039 2.659 -8.189 1.00 2.10 C ATOM 1851 CZ PHE A 118 0.606 3.824 -7.742 1.00 1.32 C ATOM 0 H PHE A 118 1.566 0.433 -10.981 1.00 0.87 H new ATOM 0 HA PHE A 118 4.058 1.719 -10.268 1.00 0.97 H new ATOM 0 HB2 PHE A 118 2.304 -0.490 -9.070 1.00 0.95 H new ATOM 0 HB3 PHE A 118 3.735 0.142 -8.281 1.00 0.95 H new ATOM 0 HD1 PHE A 118 3.834 2.730 -7.865 1.00 2.19 H new ATOM 0 HD2 PHE A 118 0.213 0.617 -8.824 1.00 1.98 H new ATOM 0 HE1 PHE A 118 2.499 4.730 -7.248 1.00 2.04 H new ATOM 0 HE2 PHE A 118 -1.114 2.641 -8.289 1.00 2.10 H new ATOM 0 HZ PHE A 118 0.028 4.704 -7.499 1.00 1.32 H new ATOM 1861 N GLY A 119 4.372 -1.022 -11.825 1.00 0.96 N ATOM 1862 CA GLY A 119 5.298 -2.077 -12.282 1.00 0.98 C ATOM 1863 C GLY A 119 5.114 -3.423 -11.584 1.00 1.00 C ATOM 1864 O GLY A 119 5.980 -4.286 -11.697 1.00 1.22 O ATOM 0 H GLY A 119 3.499 -1.000 -12.352 1.00 0.96 H new ATOM 0 HA2 GLY A 119 5.169 -2.217 -13.355 1.00 0.98 H new ATOM 0 HA3 GLY A 119 6.322 -1.737 -12.126 1.00 0.98 H new ATOM 1868 N VAL A 120 3.992 -3.626 -10.891 1.00 0.78 N ATOM 1869 CA VAL A 120 3.668 -4.884 -10.209 1.00 0.75 C ATOM 1870 C VAL A 120 3.270 -5.936 -11.236 1.00 1.00 C ATOM 1871 O VAL A 120 2.265 -5.816 -11.940 1.00 1.11 O ATOM 1872 CB VAL A 120 2.572 -4.722 -9.132 1.00 0.83 C ATOM 1873 CG1 VAL A 120 1.999 -6.058 -8.610 1.00 1.12 C ATOM 1874 CG2 VAL A 120 3.168 -3.937 -7.957 1.00 1.24 C ATOM 0 H VAL A 120 3.271 -2.912 -10.785 1.00 0.78 H new ATOM 0 HA VAL A 120 4.564 -5.209 -9.681 1.00 0.75 H new ATOM 0 HB VAL A 120 1.739 -4.197 -9.599 1.00 0.83 H new ATOM 0 HG11 VAL A 120 1.236 -5.858 -7.858 1.00 1.12 H new ATOM 0 HG12 VAL A 120 1.556 -6.612 -9.438 1.00 1.12 H new ATOM 0 HG13 VAL A 120 2.800 -6.649 -8.166 1.00 1.12 H new ATOM 0 HG21 VAL A 120 2.411 -3.810 -7.183 1.00 1.24 H new ATOM 0 HG22 VAL A 120 4.017 -4.484 -7.548 1.00 1.24 H new ATOM 0 HG23 VAL A 120 3.500 -2.958 -8.304 1.00 1.24 H new ATOM 1884 N PHE A 121 4.064 -7.000 -11.247 1.00 1.14 N ATOM 1885 CA PHE A 121 3.766 -8.268 -11.885 1.00 1.14 C ATOM 1886 C PHE A 121 3.102 -9.196 -10.857 1.00 1.62 C ATOM 1887 O PHE A 121 3.562 -9.333 -9.720 1.00 1.61 O ATOM 1888 CB PHE A 121 5.055 -8.853 -12.482 1.00 1.24 C ATOM 1889 CG PHE A 121 6.258 -8.882 -11.550 1.00 1.18 C ATOM 1890 CD1 PHE A 121 7.052 -7.726 -11.383 1.00 1.86 C ATOM 1891 CD2 PHE A 121 6.585 -10.063 -10.855 1.00 2.35 C ATOM 1892 CE1 PHE A 121 8.170 -7.763 -10.529 1.00 1.86 C ATOM 1893 CE2 PHE A 121 7.710 -10.097 -10.012 1.00 2.18 C ATOM 1894 CZ PHE A 121 8.503 -8.949 -9.853 1.00 1.25 C ATOM 0 H PHE A 121 4.975 -6.998 -10.789 1.00 1.14 H new ATOM 0 HA PHE A 121 3.065 -8.141 -12.710 1.00 1.14 H new ATOM 0 HB2 PHE A 121 4.851 -9.871 -12.814 1.00 1.24 H new ATOM 0 HB3 PHE A 121 5.318 -8.275 -13.368 1.00 1.24 H new ATOM 0 HD1 PHE A 121 6.802 -6.816 -11.909 1.00 1.86 H new ATOM 0 HD2 PHE A 121 5.971 -10.944 -10.970 1.00 2.35 H new ATOM 0 HE1 PHE A 121 8.773 -6.878 -10.393 1.00 1.86 H new ATOM 0 HE2 PHE A 121 7.964 -11.006 -9.487 1.00 2.18 H new ATOM 0 HZ PHE A 121 9.370 -8.978 -9.210 1.00 1.25 H new ATOM 1904 N TYR A 122 1.978 -9.790 -11.260 1.00 0.82 N ATOM 1905 CA TYR A 122 1.225 -10.759 -10.460 1.00 0.76 C ATOM 1906 C TYR A 122 0.637 -11.885 -11.326 1.00 1.07 C ATOM 1907 O TYR A 122 0.287 -11.664 -12.486 1.00 1.14 O ATOM 1908 CB TYR A 122 0.128 -10.051 -9.648 1.00 1.01 C ATOM 1909 CG TYR A 122 -1.038 -9.519 -10.469 1.00 1.06 C ATOM 1910 CD1 TYR A 122 -0.884 -8.351 -11.241 1.00 2.20 C ATOM 1911 CD2 TYR A 122 -2.274 -10.197 -10.470 1.00 1.55 C ATOM 1912 CE1 TYR A 122 -1.950 -7.879 -12.031 1.00 2.29 C ATOM 1913 CE2 TYR A 122 -3.352 -9.713 -11.234 1.00 1.67 C ATOM 1914 CZ TYR A 122 -3.187 -8.560 -12.029 1.00 1.42 C ATOM 1915 OH TYR A 122 -4.211 -8.104 -12.797 1.00 1.78 O ATOM 0 H TYR A 122 1.556 -9.608 -12.171 1.00 0.82 H new ATOM 0 HA TYR A 122 1.922 -11.226 -9.764 1.00 0.76 H new ATOM 0 HB2 TYR A 122 -0.259 -10.747 -8.904 1.00 1.01 H new ATOM 0 HB3 TYR A 122 0.578 -9.221 -9.104 1.00 1.01 H new ATOM 0 HD1 TYR A 122 0.054 -7.816 -11.227 1.00 2.20 H new ATOM 0 HD2 TYR A 122 -2.394 -11.094 -9.880 1.00 1.55 H new ATOM 0 HE1 TYR A 122 -1.821 -6.996 -12.639 1.00 2.29 H new ATOM 0 HE2 TYR A 122 -4.304 -10.223 -11.212 1.00 1.67 H new ATOM 0 HH TYR A 122 -4.991 -8.686 -12.682 1.00 1.78 H new ATOM 1925 N GLN A 123 0.536 -13.091 -10.766 1.00 0.91 N ATOM 1926 CA GLN A 123 -0.072 -14.268 -11.389 1.00 1.22 C ATOM 1927 C GLN A 123 -0.759 -15.155 -10.336 1.00 1.55 C ATOM 1928 O GLN A 123 -0.622 -14.920 -9.137 1.00 1.95 O ATOM 1929 CB GLN A 123 0.998 -15.029 -12.200 1.00 1.39 C ATOM 1930 CG GLN A 123 2.146 -15.578 -11.335 1.00 2.71 C ATOM 1931 CD GLN A 123 3.263 -16.223 -12.153 1.00 3.02 C ATOM 1932 OE1 GLN A 123 3.056 -16.742 -13.239 1.00 3.45 O ATOM 1933 NE2 GLN A 123 4.480 -16.222 -11.662 1.00 3.58 N ATOM 0 H GLN A 123 0.890 -13.283 -9.829 1.00 0.91 H new ATOM 0 HA GLN A 123 -0.855 -13.954 -12.080 1.00 1.22 H new ATOM 0 HB2 GLN A 123 0.523 -15.856 -12.727 1.00 1.39 H new ATOM 0 HB3 GLN A 123 1.411 -14.363 -12.958 1.00 1.39 H new ATOM 0 HG2 GLN A 123 2.563 -14.766 -10.740 1.00 2.71 H new ATOM 0 HG3 GLN A 123 1.746 -16.313 -10.636 1.00 2.71 H new ATOM 0 HE21 GLN A 123 4.664 -15.791 -10.756 1.00 3.58 H new ATOM 0 HE22 GLN A 123 5.242 -16.652 -12.187 1.00 3.58 H new ATOM 1942 N LYS A 124 -1.417 -16.240 -10.761 1.00 1.36 N ATOM 1943 CA LYS A 124 -1.826 -17.313 -9.840 1.00 1.50 C ATOM 1944 C LYS A 124 -0.784 -18.443 -9.868 1.00 2.12 C ATOM 1945 O LYS A 124 -0.198 -18.726 -10.912 1.00 2.53 O ATOM 1946 CB LYS A 124 -3.256 -17.806 -10.156 1.00 1.28 C ATOM 1947 CG LYS A 124 -3.338 -18.874 -11.259 1.00 2.25 C ATOM 1948 CD LYS A 124 -4.791 -19.215 -11.624 1.00 2.84 C ATOM 1949 CE LYS A 124 -4.899 -20.528 -12.423 1.00 4.70 C ATOM 1950 NZ LYS A 124 -4.045 -20.543 -13.639 1.00 6.36 N ATOM 0 H LYS A 124 -1.678 -16.400 -11.734 1.00 1.36 H new ATOM 0 HA LYS A 124 -1.862 -16.923 -8.823 1.00 1.50 H new ATOM 0 HB2 LYS A 124 -3.696 -18.210 -9.244 1.00 1.28 H new ATOM 0 HB3 LYS A 124 -3.864 -16.951 -10.451 1.00 1.28 H new ATOM 0 HG2 LYS A 124 -2.815 -18.519 -12.147 1.00 2.25 H new ATOM 0 HG3 LYS A 124 -2.826 -19.777 -10.928 1.00 2.25 H new ATOM 0 HD2 LYS A 124 -5.383 -19.297 -10.712 1.00 2.84 H new ATOM 0 HD3 LYS A 124 -5.218 -18.400 -12.209 1.00 2.84 H new ATOM 0 HE2 LYS A 124 -4.619 -21.362 -11.779 1.00 4.70 H new ATOM 0 HE3 LYS A 124 -5.938 -20.685 -12.714 1.00 4.70 H new ATOM 0 HZ1 LYS A 124 -4.224 -21.414 -14.178 1.00 6.36 H new ATOM 0 HZ2 LYS A 124 -4.269 -19.718 -14.231 1.00 6.36 H new ATOM 0 HZ3 LYS A 124 -3.044 -20.508 -13.360 1.00 6.36 H new ATOM 2120 N VAL A 135 -1.795 -17.130 -4.787 1.00 2.46 N ATOM 2121 CA VAL A 135 -1.402 -16.036 -5.693 1.00 1.99 C ATOM 2122 C VAL A 135 0.089 -15.745 -5.518 1.00 1.71 C ATOM 2123 O VAL A 135 0.617 -15.857 -4.412 1.00 1.72 O ATOM 2124 CB VAL A 135 -2.233 -14.760 -5.399 1.00 2.24 C ATOM 2125 CG1 VAL A 135 -1.724 -13.453 -6.036 1.00 2.85 C ATOM 2126 CG2 VAL A 135 -3.686 -14.968 -5.852 1.00 2.42 C ATOM 0 HA VAL A 135 -1.595 -16.339 -6.722 1.00 1.99 H new ATOM 0 HB VAL A 135 -2.137 -14.628 -4.321 1.00 2.24 H new ATOM 0 HG11 VAL A 135 -2.385 -12.632 -5.760 1.00 2.85 H new ATOM 0 HG12 VAL A 135 -0.716 -13.243 -5.679 1.00 2.85 H new ATOM 0 HG13 VAL A 135 -1.710 -13.558 -7.121 1.00 2.85 H new ATOM 0 HG21 VAL A 135 -4.265 -14.068 -5.643 1.00 2.42 H new ATOM 0 HG22 VAL A 135 -3.708 -15.173 -6.922 1.00 2.42 H new ATOM 0 HG23 VAL A 135 -4.118 -15.811 -5.313 1.00 2.42 H new ATOM 2136 N ASP A 136 0.738 -15.353 -6.611 1.00 1.29 N ATOM 2137 CA ASP A 136 2.081 -14.776 -6.635 1.00 1.13 C ATOM 2138 C ASP A 136 1.985 -13.288 -7.007 1.00 1.21 C ATOM 2139 O ASP A 136 1.477 -12.912 -8.062 1.00 1.31 O ATOM 2140 CB ASP A 136 2.955 -15.558 -7.629 1.00 1.33 C ATOM 2141 CG ASP A 136 4.285 -14.872 -7.979 1.00 2.62 C ATOM 2142 OD1 ASP A 136 4.829 -14.159 -7.108 1.00 4.05 O ATOM 2143 OD2 ASP A 136 4.739 -15.073 -9.129 1.00 3.31 O ATOM 0 H ASP A 136 0.327 -15.431 -7.541 1.00 1.29 H new ATOM 0 HA ASP A 136 2.546 -14.849 -5.652 1.00 1.13 H new ATOM 0 HB2 ASP A 136 3.166 -16.543 -7.212 1.00 1.33 H new ATOM 0 HB3 ASP A 136 2.389 -15.715 -8.547 1.00 1.33 H new ATOM 2148 N HIS A 137 2.474 -12.424 -6.122 1.00 0.89 N ATOM 2149 CA HIS A 137 2.652 -11.000 -6.373 1.00 0.83 C ATOM 2150 C HIS A 137 3.950 -10.471 -5.735 1.00 1.07 C ATOM 2151 O HIS A 137 4.299 -10.868 -4.622 1.00 1.18 O ATOM 2152 CB HIS A 137 1.411 -10.257 -5.852 1.00 1.20 C ATOM 2153 CG HIS A 137 1.061 -10.473 -4.390 1.00 1.48 C ATOM 2154 ND1 HIS A 137 1.894 -10.379 -3.299 1.00 2.29 N ATOM 2155 CD2 HIS A 137 -0.174 -10.805 -3.903 1.00 2.22 C ATOM 2156 CE1 HIS A 137 1.174 -10.614 -2.191 1.00 2.57 C ATOM 2157 NE2 HIS A 137 -0.100 -10.879 -2.509 1.00 2.49 N ATOM 0 H HIS A 137 2.765 -12.704 -5.185 1.00 0.89 H new ATOM 0 HA HIS A 137 2.752 -10.826 -7.444 1.00 0.83 H new ATOM 0 HB2 HIS A 137 1.559 -9.189 -6.014 1.00 1.20 H new ATOM 0 HB3 HIS A 137 0.555 -10.556 -6.456 1.00 1.20 H new ATOM 0 HD1 HIS A 137 2.891 -10.166 -3.327 1.00 2.29 H new ATOM 0 HD2 HIS A 137 -1.059 -10.981 -4.497 1.00 2.22 H new ATOM 0 HE1 HIS A 137 1.566 -10.592 -1.185 1.00 2.57 H new ATOM 2166 N THR A 138 4.608 -9.490 -6.381 1.00 0.88 N ATOM 2167 CA THR A 138 5.917 -8.919 -5.984 1.00 1.13 C ATOM 2168 C THR A 138 6.010 -8.224 -4.607 1.00 1.63 C ATOM 2169 O THR A 138 7.038 -7.623 -4.305 1.00 3.16 O ATOM 2170 CB THR A 138 6.426 -8.021 -7.124 1.00 1.39 C ATOM 2171 OG1 THR A 138 7.804 -7.837 -6.954 1.00 2.71 O ATOM 2172 CG2 THR A 138 5.768 -6.645 -7.162 1.00 1.08 C ATOM 0 H THR A 138 4.233 -9.055 -7.224 1.00 0.88 H new ATOM 0 HA THR A 138 6.569 -9.778 -5.828 1.00 1.13 H new ATOM 0 HB THR A 138 6.179 -8.523 -8.059 1.00 1.39 H new ATOM 0 HG1 THR A 138 8.275 -8.126 -7.763 1.00 2.71 H new ATOM 0 HG21 THR A 138 6.177 -6.069 -7.992 1.00 1.08 H new ATOM 0 HG22 THR A 138 4.692 -6.760 -7.296 1.00 1.08 H new ATOM 0 HG23 THR A 138 5.964 -6.122 -6.226 1.00 1.08 H new ATOM 2180 N ALA A 139 4.955 -8.270 -3.786 1.00 0.61 N ATOM 2181 CA ALA A 139 4.970 -7.992 -2.334 1.00 0.75 C ATOM 2182 C ALA A 139 5.537 -6.609 -1.922 1.00 0.79 C ATOM 2183 O ALA A 139 6.063 -6.443 -0.822 1.00 1.21 O ATOM 2184 CB ALA A 139 5.680 -9.162 -1.629 1.00 1.19 C ATOM 0 H ALA A 139 4.024 -8.512 -4.124 1.00 0.61 H new ATOM 0 HA ALA A 139 3.933 -7.921 -2.006 1.00 0.75 H new ATOM 0 HB1 ALA A 139 5.703 -8.979 -0.555 1.00 1.19 H new ATOM 0 HB2 ALA A 139 5.140 -10.088 -1.828 1.00 1.19 H new ATOM 0 HB3 ALA A 139 6.700 -9.248 -2.005 1.00 1.19 H new ATOM 2190 N THR A 140 5.455 -5.622 -2.821 1.00 0.69 N ATOM 2191 CA THR A 140 6.104 -4.311 -2.684 1.00 0.59 C ATOM 2192 C THR A 140 5.108 -3.266 -2.177 1.00 0.72 C ATOM 2193 O THR A 140 3.910 -3.363 -2.451 1.00 1.03 O ATOM 2194 CB THR A 140 6.757 -3.946 -4.023 1.00 0.64 C ATOM 2195 OG1 THR A 140 7.750 -4.911 -4.286 1.00 1.05 O ATOM 2196 CG2 THR A 140 7.468 -2.589 -4.041 1.00 0.63 C ATOM 0 H THR A 140 4.922 -5.714 -3.686 1.00 0.69 H new ATOM 0 HA THR A 140 6.893 -4.345 -1.933 1.00 0.59 H new ATOM 0 HB THR A 140 5.951 -3.906 -4.755 1.00 0.64 H new ATOM 0 HG1 THR A 140 7.331 -5.789 -4.399 1.00 1.05 H new ATOM 0 HG21 THR A 140 7.899 -2.417 -5.027 1.00 0.63 H new ATOM 0 HG22 THR A 140 6.751 -1.800 -3.815 1.00 0.63 H new ATOM 0 HG23 THR A 140 8.261 -2.584 -3.293 1.00 0.63 H new ATOM 2204 N THR A 141 5.623 -2.268 -1.450 1.00 0.49 N ATOM 2205 CA THR A 141 4.931 -1.054 -1.009 1.00 0.52 C ATOM 2206 C THR A 141 5.409 0.121 -1.866 1.00 0.90 C ATOM 2207 O THR A 141 6.611 0.316 -2.055 1.00 0.91 O ATOM 2208 CB THR A 141 5.219 -0.793 0.474 1.00 0.58 C ATOM 2209 OG1 THR A 141 4.785 -1.894 1.239 1.00 1.14 O ATOM 2210 CG2 THR A 141 4.502 0.446 1.013 1.00 1.12 C ATOM 0 H THR A 141 6.593 -2.289 -1.135 1.00 0.49 H new ATOM 0 HA THR A 141 3.854 -1.175 -1.127 1.00 0.52 H new ATOM 0 HB THR A 141 6.295 -0.635 0.554 1.00 0.58 H new ATOM 0 HG1 THR A 141 4.971 -1.727 2.187 1.00 1.14 H new ATOM 0 HG21 THR A 141 4.746 0.577 2.067 1.00 1.12 H new ATOM 0 HG22 THR A 141 4.824 1.325 0.454 1.00 1.12 H new ATOM 0 HG23 THR A 141 3.425 0.320 0.902 1.00 1.12 H new ATOM 2218 N PHE A 142 4.474 0.933 -2.356 1.00 0.73 N ATOM 2219 CA PHE A 142 4.709 2.070 -3.246 1.00 0.76 C ATOM 2220 C PHE A 142 4.252 3.369 -2.571 1.00 1.73 C ATOM 2221 O PHE A 142 3.098 3.464 -2.145 1.00 2.07 O ATOM 2222 CB PHE A 142 3.937 1.824 -4.553 1.00 0.80 C ATOM 2223 CG PHE A 142 4.419 0.600 -5.303 1.00 0.92 C ATOM 2224 CD1 PHE A 142 3.903 -0.671 -4.986 1.00 1.75 C ATOM 2225 CD2 PHE A 142 5.423 0.722 -6.280 1.00 2.01 C ATOM 2226 CE1 PHE A 142 4.396 -1.813 -5.635 1.00 1.73 C ATOM 2227 CE2 PHE A 142 5.921 -0.424 -6.926 1.00 1.93 C ATOM 2228 CZ PHE A 142 5.406 -1.690 -6.605 1.00 1.03 C ATOM 0 H PHE A 142 3.486 0.811 -2.133 1.00 0.73 H new ATOM 0 HA PHE A 142 5.772 2.170 -3.466 1.00 0.76 H new ATOM 0 HB2 PHE A 142 2.877 1.711 -4.327 1.00 0.80 H new ATOM 0 HB3 PHE A 142 4.034 2.699 -5.196 1.00 0.80 H new ATOM 0 HD1 PHE A 142 3.126 -0.767 -4.242 1.00 1.75 H new ATOM 0 HD2 PHE A 142 5.812 1.697 -6.535 1.00 2.01 H new ATOM 0 HE1 PHE A 142 3.999 -2.787 -5.389 1.00 1.73 H new ATOM 0 HE2 PHE A 142 6.699 -0.330 -7.669 1.00 1.93 H new ATOM 0 HZ PHE A 142 5.786 -2.570 -7.103 1.00 1.03 H new ATOM 2238 N VAL A 143 5.142 4.369 -2.475 1.00 0.73 N ATOM 2239 CA VAL A 143 4.876 5.595 -1.706 1.00 0.69 C ATOM 2240 C VAL A 143 4.726 6.785 -2.640 1.00 0.86 C ATOM 2241 O VAL A 143 5.655 7.177 -3.355 1.00 0.98 O ATOM 2242 CB VAL A 143 5.908 5.869 -0.594 1.00 0.77 C ATOM 2243 CG1 VAL A 143 5.337 6.918 0.378 1.00 1.00 C ATOM 2244 CG2 VAL A 143 6.162 4.576 0.191 1.00 1.25 C ATOM 0 H VAL A 143 6.058 4.352 -2.924 1.00 0.73 H new ATOM 0 HA VAL A 143 3.933 5.435 -1.184 1.00 0.69 H new ATOM 0 HB VAL A 143 6.835 6.229 -1.041 1.00 0.77 H new ATOM 0 HG11 VAL A 143 6.063 7.116 1.167 1.00 1.00 H new ATOM 0 HG12 VAL A 143 5.129 7.841 -0.164 1.00 1.00 H new ATOM 0 HG13 VAL A 143 4.415 6.541 0.820 1.00 1.00 H new ATOM 0 HG21 VAL A 143 6.891 4.766 0.978 1.00 1.25 H new ATOM 0 HG22 VAL A 143 5.229 4.231 0.636 1.00 1.25 H new ATOM 0 HG23 VAL A 143 6.547 3.811 -0.483 1.00 1.25 H new ATOM 2254 N VAL A 144 3.507 7.306 -2.639 1.00 0.67 N ATOM 2255 CA VAL A 144 3.024 8.351 -3.558 1.00 0.74 C ATOM 2256 C VAL A 144 2.753 9.644 -2.793 1.00 1.01 C ATOM 2257 O VAL A 144 2.118 9.608 -1.751 1.00 0.97 O ATOM 2258 CB VAL A 144 1.751 7.881 -4.295 1.00 0.78 C ATOM 2259 CG1 VAL A 144 1.051 8.992 -5.103 1.00 1.40 C ATOM 2260 CG2 VAL A 144 2.115 6.728 -5.245 1.00 1.88 C ATOM 0 H VAL A 144 2.792 7.007 -1.976 1.00 0.67 H new ATOM 0 HA VAL A 144 3.798 8.542 -4.302 1.00 0.74 H new ATOM 0 HB VAL A 144 1.048 7.562 -3.525 1.00 0.78 H new ATOM 0 HG11 VAL A 144 0.166 8.584 -5.591 1.00 1.40 H new ATOM 0 HG12 VAL A 144 0.756 9.799 -4.432 1.00 1.40 H new ATOM 0 HG13 VAL A 144 1.736 9.380 -5.857 1.00 1.40 H new ATOM 0 HG21 VAL A 144 1.220 6.392 -5.768 1.00 1.88 H new ATOM 0 HG22 VAL A 144 2.852 7.073 -5.971 1.00 1.88 H new ATOM 0 HG23 VAL A 144 2.532 5.901 -4.670 1.00 1.88 H new ATOM 2270 N LYS A 145 3.204 10.775 -3.332 1.00 0.82 N ATOM 2271 CA LYS A 145 2.965 12.140 -2.855 1.00 0.84 C ATOM 2272 C LYS A 145 2.775 13.069 -4.067 1.00 1.08 C ATOM 2273 O LYS A 145 3.438 12.869 -5.078 1.00 1.32 O ATOM 2274 CB LYS A 145 4.215 12.560 -2.063 1.00 1.03 C ATOM 2275 CG LYS A 145 4.118 13.936 -1.383 1.00 1.21 C ATOM 2276 CD LYS A 145 5.489 14.632 -1.401 1.00 2.10 C ATOM 2277 CE LYS A 145 5.649 15.841 -0.466 1.00 2.15 C ATOM 2278 NZ LYS A 145 4.392 16.329 0.138 1.00 1.77 N ATOM 0 H LYS A 145 3.785 10.764 -4.170 1.00 0.82 H new ATOM 0 HA LYS A 145 2.074 12.197 -2.230 1.00 0.84 H new ATOM 0 HB2 LYS A 145 4.414 11.807 -1.300 1.00 1.03 H new ATOM 0 HB3 LYS A 145 5.071 12.564 -2.738 1.00 1.03 H new ATOM 0 HG2 LYS A 145 3.381 14.553 -1.897 1.00 1.21 H new ATOM 0 HG3 LYS A 145 3.774 13.819 -0.355 1.00 1.21 H new ATOM 0 HD2 LYS A 145 6.250 13.896 -1.142 1.00 2.10 H new ATOM 0 HD3 LYS A 145 5.694 14.958 -2.421 1.00 2.10 H new ATOM 0 HE2 LYS A 145 6.340 15.575 0.334 1.00 2.15 H new ATOM 0 HE3 LYS A 145 6.107 16.657 -1.025 1.00 2.15 H new ATOM 0 HZ1 LYS A 145 4.593 17.154 0.738 1.00 1.77 H new ATOM 0 HZ2 LYS A 145 3.728 16.602 -0.615 1.00 1.77 H new ATOM 0 HZ3 LYS A 145 3.969 15.575 0.716 1.00 1.77 H new ATOM 2292 N GLU A 146 1.961 14.122 -3.998 1.00 0.96 N ATOM 2293 CA GLU A 146 1.967 15.210 -4.999 1.00 1.21 C ATOM 2294 C GLU A 146 1.475 14.713 -6.382 1.00 1.53 C ATOM 2295 O GLU A 146 1.909 15.169 -7.433 1.00 2.04 O ATOM 2296 CB GLU A 146 3.365 15.878 -5.014 1.00 1.37 C ATOM 2297 CG GLU A 146 3.367 17.382 -5.305 1.00 1.71 C ATOM 2298 CD GLU A 146 3.839 17.714 -6.719 1.00 2.31 C ATOM 2299 OE1 GLU A 146 5.014 17.435 -7.043 1.00 2.77 O ATOM 2300 OE2 GLU A 146 3.034 18.217 -7.528 1.00 3.66 O ATOM 0 H GLU A 146 1.277 14.253 -3.252 1.00 0.96 H new ATOM 0 HA GLU A 146 1.250 15.982 -4.721 1.00 1.21 H new ATOM 0 HB2 GLU A 146 3.840 15.711 -4.047 1.00 1.37 H new ATOM 0 HB3 GLU A 146 3.980 15.379 -5.762 1.00 1.37 H new ATOM 0 HG2 GLU A 146 2.361 17.776 -5.162 1.00 1.71 H new ATOM 0 HG3 GLU A 146 4.012 17.885 -4.585 1.00 1.71 H new ATOM 2307 N GLY A 147 0.605 13.690 -6.381 1.00 1.16 N ATOM 2308 CA GLY A 147 0.101 13.007 -7.581 1.00 1.23 C ATOM 2309 C GLY A 147 1.119 12.074 -8.243 1.00 1.03 C ATOM 2310 O GLY A 147 0.884 11.616 -9.362 1.00 1.10 O ATOM 0 H GLY A 147 0.222 13.304 -5.518 1.00 1.16 H new ATOM 0 HA2 GLY A 147 -0.784 12.430 -7.313 1.00 1.23 H new ATOM 0 HA3 GLY A 147 -0.215 13.756 -8.307 1.00 1.23 H new ATOM 2314 N ARG A 148 2.262 11.803 -7.602 1.00 0.81 N ATOM 2315 CA ARG A 148 3.391 11.088 -8.199 1.00 0.76 C ATOM 2316 C ARG A 148 4.082 10.134 -7.222 1.00 1.11 C ATOM 2317 O ARG A 148 4.047 10.279 -6.005 1.00 1.33 O ATOM 2318 CB ARG A 148 4.355 12.097 -8.853 1.00 0.89 C ATOM 2319 CG ARG A 148 4.883 13.145 -7.889 1.00 1.22 C ATOM 2320 CD ARG A 148 5.752 14.194 -8.587 1.00 1.31 C ATOM 2321 NE ARG A 148 5.010 15.428 -8.884 1.00 1.75 N ATOM 2322 CZ ARG A 148 4.241 15.726 -9.917 1.00 3.05 C ATOM 2323 NH1 ARG A 148 4.218 14.987 -11.003 1.00 4.39 N ATOM 2324 NH2 ARG A 148 3.479 16.792 -9.858 1.00 3.51 N ATOM 0 H ARG A 148 2.429 12.081 -6.635 1.00 0.81 H new ATOM 0 HA ARG A 148 3.006 10.434 -8.982 1.00 0.76 H new ATOM 0 HB2 ARG A 148 5.197 11.555 -9.285 1.00 0.89 H new ATOM 0 HB3 ARG A 148 3.842 12.597 -9.675 1.00 0.89 H new ATOM 0 HG2 ARG A 148 4.044 13.640 -7.399 1.00 1.22 H new ATOM 0 HG3 ARG A 148 5.465 12.656 -7.108 1.00 1.22 H new ATOM 0 HD2 ARG A 148 6.608 14.431 -7.956 1.00 1.31 H new ATOM 0 HD3 ARG A 148 6.145 13.778 -9.514 1.00 1.31 H new ATOM 0 HE ARG A 148 5.103 16.167 -8.187 1.00 1.75 H new ATOM 0 HH11 ARG A 148 4.805 14.155 -11.066 1.00 4.39 H new ATOM 0 HH12 ARG A 148 3.613 15.245 -11.783 1.00 4.39 H new ATOM 0 HH21 ARG A 148 3.485 17.378 -9.023 1.00 3.51 H new ATOM 0 HH22 ARG A 148 2.880 17.035 -10.647 1.00 3.51 H new ATOM 2338 N LEU A 149 4.702 9.102 -7.778 1.00 0.65 N ATOM 2339 CA LEU A 149 5.459 8.094 -7.043 1.00 0.60 C ATOM 2340 C LEU A 149 6.821 8.686 -6.674 1.00 0.94 C ATOM 2341 O LEU A 149 7.529 9.178 -7.550 1.00 1.25 O ATOM 2342 CB LEU A 149 5.562 6.833 -7.923 1.00 0.67 C ATOM 2343 CG LEU A 149 6.278 5.644 -7.255 1.00 0.88 C ATOM 2344 CD1 LEU A 149 5.477 5.034 -6.099 1.00 1.55 C ATOM 2345 CD2 LEU A 149 6.538 4.562 -8.311 1.00 2.24 C ATOM 0 H LEU A 149 4.693 8.937 -8.784 1.00 0.65 H new ATOM 0 HA LEU A 149 4.970 7.805 -6.113 1.00 0.60 H new ATOM 0 HB2 LEU A 149 4.557 6.522 -8.209 1.00 0.67 H new ATOM 0 HB3 LEU A 149 6.090 7.089 -8.842 1.00 0.67 H new ATOM 0 HG LEU A 149 7.210 6.022 -6.836 1.00 0.88 H new ATOM 0 HD11 LEU A 149 6.034 4.201 -5.670 1.00 1.55 H new ATOM 0 HD12 LEU A 149 5.309 5.791 -5.333 1.00 1.55 H new ATOM 0 HD13 LEU A 149 4.517 4.675 -6.471 1.00 1.55 H new ATOM 0 HD21 LEU A 149 7.045 3.716 -7.848 1.00 2.24 H new ATOM 0 HD22 LEU A 149 5.589 4.230 -8.733 1.00 2.24 H new ATOM 0 HD23 LEU A 149 7.165 4.970 -9.104 1.00 2.24 H new ATOM 2357 N VAL A 150 7.183 8.639 -5.390 1.00 0.62 N ATOM 2358 CA VAL A 150 8.385 9.317 -4.857 1.00 0.69 C ATOM 2359 C VAL A 150 9.371 8.364 -4.158 1.00 0.99 C ATOM 2360 O VAL A 150 10.564 8.671 -4.079 1.00 1.16 O ATOM 2361 CB VAL A 150 7.991 10.484 -3.912 1.00 0.78 C ATOM 2362 CG1 VAL A 150 7.418 11.666 -4.711 1.00 1.62 C ATOM 2363 CG2 VAL A 150 6.973 10.070 -2.835 1.00 1.29 C ATOM 0 H VAL A 150 6.654 8.130 -4.682 1.00 0.62 H new ATOM 0 HA VAL A 150 8.910 9.719 -5.724 1.00 0.69 H new ATOM 0 HB VAL A 150 8.910 10.781 -3.407 1.00 0.78 H new ATOM 0 HG11 VAL A 150 7.149 12.471 -4.027 1.00 1.62 H new ATOM 0 HG12 VAL A 150 8.167 12.025 -5.418 1.00 1.62 H new ATOM 0 HG13 VAL A 150 6.531 11.341 -5.256 1.00 1.62 H new ATOM 0 HG21 VAL A 150 6.738 10.929 -2.207 1.00 1.29 H new ATOM 0 HG22 VAL A 150 6.062 9.711 -3.314 1.00 1.29 H new ATOM 0 HG23 VAL A 150 7.397 9.276 -2.220 1.00 1.29 H new ATOM 2373 N LEU A 151 8.899 7.198 -3.694 1.00 0.55 N ATOM 2374 CA LEU A 151 9.676 6.270 -2.872 1.00 0.53 C ATOM 2375 C LEU A 151 9.071 4.856 -2.886 1.00 1.04 C ATOM 2376 O LEU A 151 7.856 4.685 -3.028 1.00 1.22 O ATOM 2377 CB LEU A 151 9.832 6.878 -1.451 1.00 0.60 C ATOM 2378 CG LEU A 151 11.305 7.199 -1.113 1.00 0.86 C ATOM 2379 CD1 LEU A 151 11.496 8.421 -0.213 1.00 1.10 C ATOM 2380 CD2 LEU A 151 11.969 5.993 -0.460 1.00 0.85 C ATOM 0 H LEU A 151 7.952 6.872 -3.884 1.00 0.55 H new ATOM 0 HA LEU A 151 10.675 6.141 -3.289 1.00 0.53 H new ATOM 0 HB2 LEU A 151 9.238 7.789 -1.380 1.00 0.60 H new ATOM 0 HB3 LEU A 151 9.435 6.180 -0.713 1.00 0.60 H new ATOM 0 HG LEU A 151 11.774 7.439 -2.067 1.00 0.86 H new ATOM 0 HD11 LEU A 151 12.559 8.573 -0.027 1.00 1.10 H new ATOM 0 HD12 LEU A 151 11.084 9.303 -0.704 1.00 1.10 H new ATOM 0 HD13 LEU A 151 10.981 8.259 0.734 1.00 1.10 H new ATOM 0 HD21 LEU A 151 13.007 6.231 -0.226 1.00 0.85 H new ATOM 0 HD22 LEU A 151 11.439 5.739 0.458 1.00 0.85 H new ATOM 0 HD23 LEU A 151 11.937 5.145 -1.144 1.00 0.85 H new ATOM 2392 N LEU A 152 9.939 3.846 -2.782 1.00 0.54 N ATOM 2393 CA LEU A 152 9.596 2.420 -2.817 1.00 0.52 C ATOM 2394 C LEU A 152 10.067 1.708 -1.547 1.00 1.07 C ATOM 2395 O LEU A 152 11.124 2.029 -1.002 1.00 1.15 O ATOM 2396 CB LEU A 152 10.288 1.754 -4.022 1.00 0.58 C ATOM 2397 CG LEU A 152 9.872 2.255 -5.413 1.00 0.67 C ATOM 2398 CD1 LEU A 152 10.713 1.536 -6.477 1.00 0.85 C ATOM 2399 CD2 LEU A 152 8.386 1.991 -5.660 1.00 0.84 C ATOM 0 H LEU A 152 10.940 4.005 -2.666 1.00 0.54 H new ATOM 0 HA LEU A 152 8.512 2.338 -2.896 1.00 0.52 H new ATOM 0 HB2 LEU A 152 11.364 1.892 -3.917 1.00 0.58 H new ATOM 0 HB3 LEU A 152 10.098 0.682 -3.975 1.00 0.58 H new ATOM 0 HG LEU A 152 10.042 3.330 -5.470 1.00 0.67 H new ATOM 0 HD11 LEU A 152 10.423 1.886 -7.468 1.00 0.85 H new ATOM 0 HD12 LEU A 152 11.769 1.749 -6.311 1.00 0.85 H new ATOM 0 HD13 LEU A 152 10.545 0.461 -6.409 1.00 0.85 H new ATOM 0 HD21 LEU A 152 8.112 2.353 -6.651 1.00 0.84 H new ATOM 0 HD22 LEU A 152 8.192 0.920 -5.599 1.00 0.84 H new ATOM 0 HD23 LEU A 152 7.794 2.511 -4.907 1.00 0.84 H new ATOM 2411 N TYR A 153 9.318 0.684 -1.136 1.00 0.53 N ATOM 2412 CA TYR A 153 9.625 -0.174 0.009 1.00 0.53 C ATOM 2413 C TYR A 153 9.426 -1.661 -0.316 1.00 1.09 C ATOM 2414 O TYR A 153 8.327 -2.128 -0.601 1.00 1.47 O ATOM 2415 CB TYR A 153 8.774 0.244 1.216 1.00 0.57 C ATOM 2416 CG TYR A 153 9.521 1.124 2.187 1.00 0.81 C ATOM 2417 CD1 TYR A 153 10.247 0.533 3.236 1.00 2.10 C ATOM 2418 CD2 TYR A 153 9.512 2.521 2.032 1.00 1.68 C ATOM 2419 CE1 TYR A 153 10.950 1.342 4.148 1.00 2.32 C ATOM 2420 CE2 TYR A 153 10.229 3.333 2.931 1.00 1.85 C ATOM 2421 CZ TYR A 153 10.952 2.744 3.994 1.00 1.46 C ATOM 2422 OH TYR A 153 11.671 3.506 4.860 1.00 1.93 O ATOM 0 H TYR A 153 8.452 0.420 -1.607 1.00 0.53 H new ATOM 0 HA TYR A 153 10.679 -0.044 0.254 1.00 0.53 H new ATOM 0 HB2 TYR A 153 7.888 0.772 0.864 1.00 0.57 H new ATOM 0 HB3 TYR A 153 8.427 -0.649 1.736 1.00 0.57 H new ATOM 0 HD1 TYR A 153 10.265 -0.542 3.342 1.00 2.10 H new ATOM 0 HD2 TYR A 153 8.955 2.971 1.224 1.00 1.68 H new ATOM 0 HE1 TYR A 153 11.489 0.889 4.967 1.00 2.32 H new ATOM 0 HE2 TYR A 153 10.227 4.406 2.809 1.00 1.85 H new ATOM 0 HH TYR A 153 12.031 4.286 4.388 1.00 1.93 H new ATOM 2432 N SER A 154 10.506 -2.425 -0.212 1.00 0.93 N ATOM 2433 CA SER A 154 10.481 -3.880 -0.073 1.00 1.00 C ATOM 2434 C SER A 154 10.118 -4.275 1.382 1.00 1.12 C ATOM 2435 O SER A 154 10.275 -3.441 2.287 1.00 1.18 O ATOM 2436 CB SER A 154 11.863 -4.373 -0.525 1.00 1.25 C ATOM 2437 OG SER A 154 12.913 -3.684 0.148 1.00 2.12 O ATOM 0 H SER A 154 11.451 -2.041 -0.222 1.00 0.93 H new ATOM 0 HA SER A 154 9.715 -4.351 -0.689 1.00 1.00 H new ATOM 0 HB2 SER A 154 11.948 -5.443 -0.334 1.00 1.25 H new ATOM 0 HB3 SER A 154 11.966 -4.232 -1.601 1.00 1.25 H new ATOM 0 HG SER A 154 13.585 -4.329 0.452 1.00 2.12 H new ATOM 2443 N PRO A 155 9.595 -5.493 1.635 1.00 1.13 N ATOM 2444 CA PRO A 155 9.091 -5.875 2.958 1.00 1.18 C ATOM 2445 C PRO A 155 10.210 -5.930 4.004 1.00 1.32 C ATOM 2446 O PRO A 155 10.023 -5.454 5.120 1.00 1.21 O ATOM 2447 CB PRO A 155 8.400 -7.231 2.766 1.00 1.41 C ATOM 2448 CG PRO A 155 9.073 -7.814 1.524 1.00 1.41 C ATOM 2449 CD PRO A 155 9.392 -6.578 0.684 1.00 1.33 C ATOM 0 HA PRO A 155 8.391 -5.135 3.345 1.00 1.18 H new ATOM 0 HB2 PRO A 155 8.537 -7.876 3.634 1.00 1.41 H new ATOM 0 HB3 PRO A 155 7.326 -7.115 2.621 1.00 1.41 H new ATOM 0 HG2 PRO A 155 9.975 -8.371 1.779 1.00 1.41 H new ATOM 0 HG3 PRO A 155 8.413 -8.501 0.994 1.00 1.41 H new ATOM 0 HD2 PRO A 155 10.283 -6.737 0.077 1.00 1.33 H new ATOM 0 HD3 PRO A 155 8.576 -6.350 -0.001 1.00 1.33 H new ATOM 2457 N ASP A 156 11.394 -6.401 3.597 1.00 1.13 N ATOM 2458 CA ASP A 156 12.665 -6.423 4.341 1.00 1.25 C ATOM 2459 C ASP A 156 13.100 -5.078 4.932 1.00 1.22 C ATOM 2460 O ASP A 156 13.879 -5.009 5.883 1.00 1.61 O ATOM 2461 CB ASP A 156 13.755 -6.938 3.383 1.00 1.55 C ATOM 2462 CG ASP A 156 13.646 -6.294 1.994 1.00 1.60 C ATOM 2463 OD1 ASP A 156 12.827 -6.802 1.194 1.00 2.12 O ATOM 2464 OD2 ASP A 156 14.279 -5.244 1.727 1.00 2.37 O ATOM 0 H ASP A 156 11.500 -6.809 2.668 1.00 1.13 H new ATOM 0 HA ASP A 156 12.515 -7.072 5.204 1.00 1.25 H new ATOM 0 HB2 ASP A 156 14.738 -6.728 3.805 1.00 1.55 H new ATOM 0 HB3 ASP A 156 13.674 -8.021 3.289 1.00 1.55 H new ATOM 2469 N LYS A 157 12.580 -3.996 4.371 1.00 0.93 N ATOM 2470 CA LYS A 157 12.732 -2.646 4.878 1.00 0.90 C ATOM 2471 C LYS A 157 11.444 -2.104 5.521 1.00 1.16 C ATOM 2472 O LYS A 157 11.546 -1.276 6.424 1.00 1.23 O ATOM 2473 CB LYS A 157 13.227 -1.781 3.711 1.00 1.05 C ATOM 2474 CG LYS A 157 14.678 -2.153 3.335 1.00 1.77 C ATOM 2475 CD LYS A 157 15.144 -1.568 1.997 1.00 1.90 C ATOM 2476 CE LYS A 157 14.739 -0.098 1.908 1.00 3.77 C ATOM 2477 NZ LYS A 157 15.475 0.648 0.858 1.00 5.61 N ATOM 0 H LYS A 157 12.021 -4.039 3.519 1.00 0.93 H new ATOM 0 HA LYS A 157 13.459 -2.628 5.690 1.00 0.90 H new ATOM 0 HB2 LYS A 157 12.576 -1.918 2.848 1.00 1.05 H new ATOM 0 HB3 LYS A 157 13.175 -0.727 3.985 1.00 1.05 H new ATOM 0 HG2 LYS A 157 15.347 -1.808 4.123 1.00 1.77 H new ATOM 0 HG3 LYS A 157 14.765 -3.239 3.295 1.00 1.77 H new ATOM 0 HD2 LYS A 157 16.226 -1.663 1.905 1.00 1.90 H new ATOM 0 HD3 LYS A 157 14.703 -2.127 1.172 1.00 1.90 H new ATOM 0 HE2 LYS A 157 13.669 -0.034 1.708 1.00 3.77 H new ATOM 0 HE3 LYS A 157 14.912 0.379 2.873 1.00 3.77 H new ATOM 0 HZ1 LYS A 157 15.629 1.628 1.171 1.00 5.61 H new ATOM 0 HZ2 LYS A 157 16.393 0.191 0.687 1.00 5.61 H new ATOM 0 HZ3 LYS A 157 14.919 0.649 -0.021 1.00 5.61 H new ATOM 2491 N ALA A 158 10.255 -2.553 5.103 1.00 0.82 N ATOM 2492 CA ALA A 158 8.970 -2.081 5.633 1.00 0.89 C ATOM 2493 C ALA A 158 8.761 -2.462 7.109 1.00 1.08 C ATOM 2494 O ALA A 158 8.159 -1.685 7.850 1.00 1.07 O ATOM 2495 CB ALA A 158 7.841 -2.618 4.746 1.00 1.08 C ATOM 0 H ALA A 158 10.157 -3.264 4.378 1.00 0.82 H new ATOM 0 HA ALA A 158 8.966 -0.991 5.610 1.00 0.89 H new ATOM 0 HB1 ALA A 158 6.881 -2.273 5.131 1.00 1.08 H new ATOM 0 HB2 ALA A 158 7.975 -2.255 3.727 1.00 1.08 H new ATOM 0 HB3 ALA A 158 7.863 -3.708 4.749 1.00 1.08 H new ATOM 2501 N GLU A 159 9.303 -3.611 7.540 1.00 0.81 N ATOM 2502 CA GLU A 159 9.323 -4.051 8.943 1.00 0.85 C ATOM 2503 C GLU A 159 10.012 -3.054 9.895 1.00 1.08 C ATOM 2504 O GLU A 159 9.724 -3.020 11.093 1.00 1.31 O ATOM 2505 CB GLU A 159 10.032 -5.410 9.038 1.00 1.14 C ATOM 2506 CG GLU A 159 9.199 -6.536 8.412 1.00 1.52 C ATOM 2507 CD GLU A 159 9.839 -7.901 8.650 1.00 2.50 C ATOM 2508 OE1 GLU A 159 10.093 -8.230 9.831 1.00 3.29 O ATOM 2509 OE2 GLU A 159 10.056 -8.606 7.643 1.00 3.42 O ATOM 0 H GLU A 159 9.750 -4.275 6.908 1.00 0.81 H new ATOM 0 HA GLU A 159 8.283 -4.122 9.262 1.00 0.85 H new ATOM 0 HB2 GLU A 159 10.998 -5.351 8.536 1.00 1.14 H new ATOM 0 HB3 GLU A 159 10.230 -5.644 10.084 1.00 1.14 H new ATOM 0 HG2 GLU A 159 8.194 -6.525 8.834 1.00 1.52 H new ATOM 0 HG3 GLU A 159 9.097 -6.362 7.341 1.00 1.52 H new ATOM 2516 N ALA A 160 10.921 -2.216 9.386 1.00 0.70 N ATOM 2517 CA ALA A 160 11.677 -1.251 10.179 1.00 0.72 C ATOM 2518 C ALA A 160 10.839 0.004 10.507 1.00 0.92 C ATOM 2519 O ALA A 160 11.088 1.084 9.955 1.00 0.88 O ATOM 2520 CB ALA A 160 13.000 -0.950 9.451 1.00 0.79 C ATOM 0 H ALA A 160 11.153 -2.192 8.393 1.00 0.70 H new ATOM 0 HA ALA A 160 11.921 -1.672 11.154 1.00 0.72 H new ATOM 0 HB1 ALA A 160 13.578 -0.230 10.030 1.00 0.79 H new ATOM 0 HB2 ALA A 160 13.573 -1.871 9.341 1.00 0.79 H new ATOM 0 HB3 ALA A 160 12.787 -0.536 8.466 1.00 0.79 H new ATOM 2526 N THR A 161 9.880 -0.121 11.439 1.00 0.74 N ATOM 2527 CA THR A 161 8.964 0.954 11.889 1.00 0.80 C ATOM 2528 C THR A 161 9.614 2.330 11.998 1.00 0.96 C ATOM 2529 O THR A 161 9.204 3.228 11.271 1.00 1.19 O ATOM 2530 CB THR A 161 8.307 0.564 13.217 1.00 0.90 C ATOM 2531 OG1 THR A 161 7.379 -0.457 12.957 1.00 1.03 O ATOM 2532 CG2 THR A 161 7.541 1.703 13.892 1.00 1.07 C ATOM 0 H THR A 161 9.711 -1.004 11.921 1.00 0.74 H new ATOM 0 HA THR A 161 8.208 1.050 11.109 1.00 0.80 H new ATOM 0 HB THR A 161 9.112 0.265 13.888 1.00 0.90 H new ATOM 0 HG1 THR A 161 6.672 -0.115 12.370 1.00 1.03 H new ATOM 0 HG21 THR A 161 7.106 1.346 14.825 1.00 1.07 H new ATOM 0 HG22 THR A 161 8.224 2.527 14.101 1.00 1.07 H new ATOM 0 HG23 THR A 161 6.747 2.049 13.231 1.00 1.07 H new ATOM 2540 N ASP A 162 10.616 2.538 12.854 1.00 0.86 N ATOM 2541 CA ASP A 162 11.164 3.887 13.074 1.00 0.93 C ATOM 2542 C ASP A 162 11.912 4.455 11.858 1.00 1.23 C ATOM 2543 O ASP A 162 11.901 5.664 11.642 1.00 1.33 O ATOM 2544 CB ASP A 162 12.014 3.925 14.351 1.00 1.05 C ATOM 2545 CG ASP A 162 11.151 4.358 15.538 1.00 1.91 C ATOM 2546 OD1 ASP A 162 10.437 3.507 16.115 1.00 2.45 O ATOM 2547 OD2 ASP A 162 11.153 5.565 15.876 1.00 3.16 O ATOM 0 H ASP A 162 11.063 1.803 13.402 1.00 0.86 H new ATOM 0 HA ASP A 162 10.312 4.552 13.212 1.00 0.93 H new ATOM 0 HB2 ASP A 162 12.443 2.941 14.542 1.00 1.05 H new ATOM 0 HB3 ASP A 162 12.846 4.617 14.224 1.00 1.05 H new ATOM 2552 N ARG A 163 12.483 3.606 10.994 1.00 0.92 N ATOM 2553 CA ARG A 163 12.905 4.021 9.664 1.00 0.95 C ATOM 2554 C ARG A 163 11.716 4.508 8.826 1.00 1.13 C ATOM 2555 O ARG A 163 11.802 5.605 8.288 1.00 1.46 O ATOM 2556 CB ARG A 163 13.659 2.864 9.004 1.00 0.97 C ATOM 2557 CG ARG A 163 15.150 2.890 9.347 1.00 1.38 C ATOM 2558 CD ARG A 163 15.507 2.963 10.838 1.00 1.57 C ATOM 2559 NE ARG A 163 16.952 2.786 11.077 1.00 1.66 N ATOM 2560 CZ ARG A 163 17.949 3.599 10.726 1.00 2.46 C ATOM 2561 NH1 ARG A 163 17.764 4.727 10.064 1.00 3.38 N ATOM 2562 NH2 ARG A 163 19.186 3.274 11.045 1.00 3.04 N ATOM 0 H ARG A 163 12.661 2.623 11.201 1.00 0.92 H new ATOM 0 HA ARG A 163 13.580 4.874 9.739 1.00 0.95 H new ATOM 0 HB2 ARG A 163 13.228 1.917 9.328 1.00 0.97 H new ATOM 0 HB3 ARG A 163 13.534 2.918 7.923 1.00 0.97 H new ATOM 0 HG2 ARG A 163 15.612 1.996 8.929 1.00 1.38 H new ATOM 0 HG3 ARG A 163 15.601 3.746 8.846 1.00 1.38 H new ATOM 0 HD2 ARG A 163 15.190 3.926 11.238 1.00 1.57 H new ATOM 0 HD3 ARG A 163 14.955 2.195 11.380 1.00 1.57 H new ATOM 0 HE ARG A 163 17.222 1.936 11.572 1.00 1.66 H new ATOM 0 HH11 ARG A 163 16.822 5.013 9.796 1.00 3.38 H new ATOM 0 HH12 ARG A 163 18.563 5.312 9.820 1.00 3.38 H new ATOM 0 HH21 ARG A 163 19.371 2.410 11.554 1.00 3.04 H new ATOM 0 HH22 ARG A 163 19.958 3.887 10.783 1.00 3.04 H new ATOM 2576 N VAL A 164 10.605 3.765 8.786 1.00 0.87 N ATOM 2577 CA VAL A 164 9.385 4.187 8.070 1.00 0.87 C ATOM 2578 C VAL A 164 8.822 5.512 8.632 1.00 1.09 C ATOM 2579 O VAL A 164 8.458 6.379 7.844 1.00 1.20 O ATOM 2580 CB VAL A 164 8.325 3.057 8.042 1.00 0.84 C ATOM 2581 CG1 VAL A 164 6.988 3.510 7.429 1.00 0.94 C ATOM 2582 CG2 VAL A 164 8.839 1.852 7.233 1.00 1.00 C ATOM 0 H VAL A 164 10.521 2.858 9.245 1.00 0.87 H new ATOM 0 HA VAL A 164 9.662 4.384 7.034 1.00 0.87 H new ATOM 0 HB VAL A 164 8.154 2.780 9.082 1.00 0.84 H new ATOM 0 HG11 VAL A 164 6.284 2.678 7.436 1.00 0.94 H new ATOM 0 HG12 VAL A 164 6.580 4.335 8.014 1.00 0.94 H new ATOM 0 HG13 VAL A 164 7.151 3.839 6.403 1.00 0.94 H new ATOM 0 HG21 VAL A 164 8.081 1.069 7.225 1.00 1.00 H new ATOM 0 HG22 VAL A 164 9.050 2.164 6.210 1.00 1.00 H new ATOM 0 HG23 VAL A 164 9.751 1.469 7.691 1.00 1.00 H new ATOM 2592 N VAL A 165 8.834 5.724 9.958 1.00 0.94 N ATOM 2593 CA VAL A 165 8.487 7.031 10.571 1.00 0.99 C ATOM 2594 C VAL A 165 9.320 8.184 9.976 1.00 1.16 C ATOM 2595 O VAL A 165 8.764 9.204 9.572 1.00 1.37 O ATOM 2596 CB VAL A 165 8.659 7.032 12.112 1.00 0.96 C ATOM 2597 CG1 VAL A 165 8.414 8.415 12.746 1.00 1.07 C ATOM 2598 CG2 VAL A 165 7.695 6.048 12.785 1.00 1.27 C ATOM 0 H VAL A 165 9.082 5.004 10.637 1.00 0.94 H new ATOM 0 HA VAL A 165 7.434 7.188 10.339 1.00 0.99 H new ATOM 0 HB VAL A 165 9.695 6.738 12.277 1.00 0.96 H new ATOM 0 HG11 VAL A 165 8.550 8.350 13.826 1.00 1.07 H new ATOM 0 HG12 VAL A 165 9.122 9.135 12.334 1.00 1.07 H new ATOM 0 HG13 VAL A 165 7.397 8.741 12.527 1.00 1.07 H new ATOM 0 HG21 VAL A 165 7.843 6.075 13.865 1.00 1.27 H new ATOM 0 HG22 VAL A 165 6.668 6.328 12.552 1.00 1.27 H new ATOM 0 HG23 VAL A 165 7.888 5.040 12.417 1.00 1.27 H new ATOM 2608 N ALA A 166 10.647 8.037 9.917 1.00 0.99 N ATOM 2609 CA ALA A 166 11.556 9.075 9.406 1.00 1.07 C ATOM 2610 C ALA A 166 11.389 9.334 7.897 1.00 1.32 C ATOM 2611 O ALA A 166 11.428 10.486 7.458 1.00 1.48 O ATOM 2612 CB ALA A 166 12.981 8.613 9.719 1.00 1.07 C ATOM 0 H ALA A 166 11.126 7.191 10.224 1.00 0.99 H new ATOM 0 HA ALA A 166 11.324 10.024 9.890 1.00 1.07 H new ATOM 0 HB1 ALA A 166 13.692 9.355 9.356 1.00 1.07 H new ATOM 0 HB2 ALA A 166 13.097 8.495 10.796 1.00 1.07 H new ATOM 0 HB3 ALA A 166 13.170 7.659 9.227 1.00 1.07 H new ATOM 2618 N ASP A 167 11.147 8.268 7.138 1.00 1.10 N ATOM 2619 CA ASP A 167 10.855 8.305 5.707 1.00 1.22 C ATOM 2620 C ASP A 167 9.622 9.162 5.411 1.00 1.52 C ATOM 2621 O ASP A 167 9.685 10.133 4.662 1.00 1.51 O ATOM 2622 CB ASP A 167 10.639 6.861 5.227 1.00 1.46 C ATOM 2623 CG ASP A 167 11.250 6.639 3.861 1.00 1.61 C ATOM 2624 OD1 ASP A 167 10.623 6.985 2.843 1.00 2.65 O ATOM 2625 OD2 ASP A 167 12.355 6.048 3.839 1.00 2.11 O ATOM 0 H ASP A 167 11.149 7.321 7.516 1.00 1.10 H new ATOM 0 HA ASP A 167 11.692 8.759 5.176 1.00 1.22 H new ATOM 0 HB2 ASP A 167 11.081 6.168 5.943 1.00 1.46 H new ATOM 0 HB3 ASP A 167 9.572 6.644 5.190 1.00 1.46 H new ATOM 2630 N LEU A 168 8.526 8.869 6.114 1.00 1.20 N ATOM 2631 CA LEU A 168 7.262 9.601 5.987 1.00 1.27 C ATOM 2632 C LEU A 168 7.387 11.055 6.455 1.00 1.54 C ATOM 2633 O LEU A 168 6.687 11.925 5.946 1.00 1.74 O ATOM 2634 CB LEU A 168 6.167 8.858 6.769 1.00 1.31 C ATOM 2635 CG LEU A 168 5.847 7.452 6.215 1.00 1.31 C ATOM 2636 CD1 LEU A 168 4.982 6.698 7.236 1.00 1.84 C ATOM 2637 CD2 LEU A 168 5.154 7.516 4.845 1.00 1.64 C ATOM 0 H LEU A 168 8.490 8.110 6.794 1.00 1.20 H new ATOM 0 HA LEU A 168 6.991 9.641 4.932 1.00 1.27 H new ATOM 0 HB2 LEU A 168 6.477 8.766 7.810 1.00 1.31 H new ATOM 0 HB3 LEU A 168 5.257 9.458 6.759 1.00 1.31 H new ATOM 0 HG LEU A 168 6.784 6.917 6.062 1.00 1.31 H new ATOM 0 HD11 LEU A 168 4.751 5.704 6.853 1.00 1.84 H new ATOM 0 HD12 LEU A 168 5.525 6.608 8.177 1.00 1.84 H new ATOM 0 HD13 LEU A 168 4.055 7.247 7.403 1.00 1.84 H new ATOM 0 HD21 LEU A 168 4.948 6.505 4.494 1.00 1.64 H new ATOM 0 HD22 LEU A 168 4.218 8.066 4.936 1.00 1.64 H new ATOM 0 HD23 LEU A 168 5.804 8.022 4.132 1.00 1.64 H new ATOM 2649 N GLN A 169 8.283 11.325 7.407 1.00 1.24 N ATOM 2650 CA GLN A 169 8.620 12.678 7.854 1.00 1.28 C ATOM 2651 C GLN A 169 9.423 13.478 6.818 1.00 1.50 C ATOM 2652 O GLN A 169 9.265 14.692 6.739 1.00 1.61 O ATOM 2653 CB GLN A 169 9.325 12.611 9.224 1.00 1.35 C ATOM 2654 CG GLN A 169 8.326 12.495 10.392 1.00 1.58 C ATOM 2655 CD GLN A 169 8.765 13.293 11.620 1.00 1.63 C ATOM 2656 OE1 GLN A 169 8.261 14.369 11.887 1.00 2.33 O ATOM 2657 NE2 GLN A 169 9.716 12.824 12.405 1.00 1.77 N ATOM 0 H GLN A 169 8.803 10.597 7.897 1.00 1.24 H new ATOM 0 HA GLN A 169 7.689 13.233 7.968 1.00 1.28 H new ATOM 0 HB2 GLN A 169 10.001 11.756 9.241 1.00 1.35 H new ATOM 0 HB3 GLN A 169 9.936 13.503 9.359 1.00 1.35 H new ATOM 0 HG2 GLN A 169 7.347 12.847 10.065 1.00 1.58 H new ATOM 0 HG3 GLN A 169 8.213 11.446 10.666 1.00 1.58 H new ATOM 0 HE21 GLN A 169 10.151 11.925 12.198 1.00 1.77 H new ATOM 0 HE22 GLN A 169 10.017 13.361 13.219 1.00 1.77 H new ATOM 2666 N ALA A 170 10.262 12.830 6.006 1.00 1.24 N ATOM 2667 CA ALA A 170 10.892 13.424 4.825 1.00 1.32 C ATOM 2668 C ALA A 170 9.967 13.610 3.598 1.00 1.49 C ATOM 2669 O ALA A 170 10.330 14.348 2.680 1.00 1.69 O ATOM 2670 CB ALA A 170 12.103 12.560 4.480 1.00 1.32 C ATOM 0 H ALA A 170 10.528 11.857 6.155 1.00 1.24 H new ATOM 0 HA ALA A 170 11.174 14.446 5.080 1.00 1.32 H new ATOM 0 HB1 ALA A 170 12.603 12.969 3.602 1.00 1.32 H new ATOM 0 HB2 ALA A 170 12.796 12.552 5.322 1.00 1.32 H new ATOM 0 HB3 ALA A 170 11.775 11.542 4.270 1.00 1.32 H new ATOM 2676 N LEU A 171 8.832 12.903 3.547 1.00 1.33 N ATOM 2677 CA LEU A 171 7.892 12.868 2.415 1.00 1.43 C ATOM 2678 C LEU A 171 6.647 13.755 2.575 1.00 1.66 C ATOM 2679 O LEU A 171 5.816 13.791 1.663 1.00 1.94 O ATOM 2680 CB LEU A 171 7.467 11.406 2.192 1.00 1.48 C ATOM 2681 CG LEU A 171 8.517 10.522 1.500 1.00 1.45 C ATOM 2682 CD1 LEU A 171 7.927 9.113 1.387 1.00 1.72 C ATOM 2683 CD2 LEU A 171 8.853 11.079 0.107 1.00 1.67 C ATOM 0 H LEU A 171 8.529 12.315 4.323 1.00 1.33 H new ATOM 0 HA LEU A 171 8.420 13.280 1.555 1.00 1.43 H new ATOM 0 HB2 LEU A 171 7.221 10.964 3.157 1.00 1.48 H new ATOM 0 HB3 LEU A 171 6.555 11.396 1.595 1.00 1.48 H new ATOM 0 HG LEU A 171 9.442 10.503 2.077 1.00 1.45 H new ATOM 0 HD11 LEU A 171 8.646 8.455 0.899 1.00 1.72 H new ATOM 0 HD12 LEU A 171 7.704 8.731 2.383 1.00 1.72 H new ATOM 0 HD13 LEU A 171 7.010 9.148 0.798 1.00 1.72 H new ATOM 0 HD21 LEU A 171 9.598 10.442 -0.370 1.00 1.67 H new ATOM 0 HD22 LEU A 171 7.950 11.101 -0.503 1.00 1.67 H new ATOM 0 HD23 LEU A 171 9.249 12.090 0.205 1.00 1.67 H new ATOM 2695 N LEU A 172 6.525 14.446 3.712 1.00 1.42 N ATOM 2696 CA LEU A 172 5.476 15.382 4.126 1.00 1.45 C ATOM 2697 C LEU A 172 4.959 16.364 3.060 1.00 1.97 C ATOM 2698 O LEU A 172 3.725 16.390 2.822 1.00 2.44 O ATOM 2699 CB LEU A 172 6.044 16.076 5.394 1.00 1.65 C ATOM 2700 CG LEU A 172 5.109 15.909 6.577 1.00 2.01 C ATOM 2701 CD1 LEU A 172 4.964 14.475 7.079 1.00 2.90 C ATOM 2702 CD2 LEU A 172 5.531 16.783 7.754 1.00 2.60 C ATOM 2703 OXT LEU A 172 5.764 17.056 2.402 1.00 2.60 O ATOM 0 H LEU A 172 7.233 14.354 4.441 1.00 1.42 H new ATOM 0 HA LEU A 172 4.556 14.831 4.322 1.00 1.45 H new ATOM 0 HB2 LEU A 172 7.020 15.655 5.636 1.00 1.65 H new ATOM 0 HB3 LEU A 172 6.196 17.137 5.194 1.00 1.65 H new ATOM 0 HG LEU A 172 4.140 16.221 6.188 1.00 2.01 H new ATOM 0 HD11 LEU A 172 4.277 14.453 7.925 1.00 2.90 H new ATOM 0 HD12 LEU A 172 4.573 13.847 6.278 1.00 2.90 H new ATOM 0 HD13 LEU A 172 5.938 14.099 7.393 1.00 2.90 H new ATOM 0 HD21 LEU A 172 4.838 16.637 8.583 1.00 2.60 H new ATOM 0 HD22 LEU A 172 6.537 16.507 8.070 1.00 2.60 H new ATOM 0 HD23 LEU A 172 5.520 17.830 7.452 1.00 2.60 H new