USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1242 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 LYS NZ :NH3+ -144:sc= 1.11 (180deg=0.262) USER MOD Set 1.2: A 74 GLN : amide:sc= -0.739 K(o=0.37,f=-0.96!) USER MOD Set 2.1: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 70 GLN : amide:sc= -0.0803 K(o=-0.08,f=-2.7!) USER MOD Set 3.1: A 47 CYS SG : rot 26:sc= 0.0689 USER MOD Set 3.2: A 51 CYS SG : rot 176:sc= -0.105 USER MOD Set 4.1: A 7 TYR OH : rot -136:sc= 0.484 USER MOD Set 4.2: A 157 LYS NZ :NH3+ 142:sc= 0.895 (180deg=-1.53) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.162 K(o=0.16,f=-4.3!) USER MOD Single : A 15 LYS NZ :NH3+ 178:sc= 1.26 (180deg=1.26) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -138:sc= 1.13 USER MOD Single : A 32 GLN : amide:sc= -0.0038 K(o=-0.0038,f=-0.51) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot -75:sc= 0.846 USER MOD Single : A 53 THR OG1 : rot 114:sc= 0.707 USER MOD Single : A 54 THR OG1 : rot 45:sc= 1.26 USER MOD Single : A 59 LYS NZ :NH3+ 150:sc= 0.563 (180deg=-0.774) USER MOD Single : A 64 LYS NZ :NH3+ 179:sc= 0.955 (180deg=0.933) USER MOD Single : A 68 LYS NZ :NH3+ -148:sc= 0.21 (180deg=-0.909!) USER MOD Single : A 79 SER OG : rot 74:sc= 1.22 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -175:sc= 0.738 (180deg=0.558) USER MOD Single : A 98 HIS : no HE2:sc= -0.642 K(o=-0.64,f=-8.4!) USER MOD Single : A 100 SER OG : rot -41:sc= 0.74 USER MOD Single : A 105 SER OG : rot 160:sc= 1.21 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 1.12 K(o=1.1,f=-9.6!) USER MOD Single : A 117 THR OG1 : rot -172:sc= 0.847 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 124 LYS NZ :NH3+ -146:sc= 0.613! (180deg=-3.2!) USER MOD Single : A 137 HIS : no HD1:sc= -0.0325 X(o=-0.032,f=0) USER MOD Single : A 138 THR OG1 : rot 95:sc= 1.24 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot -51:sc= 0.371 USER MOD Single : A 145 LYS NZ :NH3+ -150:sc= 1.05 (180deg=-1.1!) USER MOD Single : A 153 TYR OH : rot 167:sc= -0.224 USER MOD Single : A 154 SER OG : rot 132:sc= 1.29 USER MOD Single : A 161 THR OG1 : rot -75:sc= 0.858 USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 15.638 4.691 4.002 1.00 1.39 N ATOM 90 CA TYR A 7 15.826 3.241 3.911 1.00 1.30 C ATOM 91 C TYR A 7 15.172 2.602 2.670 1.00 1.37 C ATOM 92 O TYR A 7 15.715 1.620 2.167 1.00 1.50 O ATOM 93 CB TYR A 7 15.240 2.597 5.182 1.00 1.67 C ATOM 94 CG TYR A 7 15.569 1.129 5.432 1.00 1.43 C ATOM 95 CD1 TYR A 7 16.811 0.571 5.051 1.00 2.29 C ATOM 96 CD2 TYR A 7 14.623 0.312 6.083 1.00 2.24 C ATOM 97 CE1 TYR A 7 17.080 -0.792 5.273 1.00 2.77 C ATOM 98 CE2 TYR A 7 14.899 -1.048 6.336 1.00 2.49 C ATOM 99 CZ TYR A 7 16.119 -1.608 5.901 1.00 2.35 C ATOM 100 OH TYR A 7 16.355 -2.940 6.041 1.00 3.12 O ATOM 0 HA TYR A 7 16.897 3.061 3.817 1.00 1.30 H new ATOM 0 HB2 TYR A 7 15.584 3.172 6.042 1.00 1.67 H new ATOM 0 HB3 TYR A 7 14.155 2.699 5.144 1.00 1.67 H new ATOM 0 HD1 TYR A 7 17.559 1.196 4.586 1.00 2.29 H new ATOM 0 HD2 TYR A 7 13.677 0.732 6.391 1.00 2.24 H new ATOM 0 HE1 TYR A 7 18.024 -1.213 4.962 1.00 2.77 H new ATOM 0 HE2 TYR A 7 14.179 -1.659 6.861 1.00 2.49 H new ATOM 0 HH TYR A 7 15.543 -3.441 5.817 1.00 3.12 H new ATOM 110 N GLY A 8 14.039 3.111 2.174 1.00 1.08 N ATOM 111 CA GLY A 8 13.369 2.567 0.984 1.00 1.04 C ATOM 112 C GLY A 8 14.032 2.960 -0.342 1.00 1.16 C ATOM 113 O GLY A 8 15.053 3.648 -0.385 1.00 1.41 O ATOM 0 H GLY A 8 13.559 3.912 2.585 1.00 1.08 H new ATOM 0 HA2 GLY A 8 13.346 1.480 1.058 1.00 1.04 H new ATOM 0 HA3 GLY A 8 12.334 2.908 0.975 1.00 1.04 H new ATOM 117 N THR A 9 13.419 2.529 -1.447 1.00 1.12 N ATOM 118 CA THR A 9 13.868 2.822 -2.817 1.00 1.28 C ATOM 119 C THR A 9 13.459 4.242 -3.185 1.00 1.34 C ATOM 120 O THR A 9 12.377 4.475 -3.723 1.00 1.27 O ATOM 121 CB THR A 9 13.274 1.837 -3.823 1.00 1.52 C ATOM 122 OG1 THR A 9 13.295 0.524 -3.311 1.00 1.75 O ATOM 123 CG2 THR A 9 14.031 1.858 -5.151 1.00 1.75 C ATOM 0 H THR A 9 12.577 1.953 -1.417 1.00 1.12 H new ATOM 0 HA THR A 9 14.953 2.722 -2.852 1.00 1.28 H new ATOM 0 HB THR A 9 12.245 2.150 -3.998 1.00 1.52 H new ATOM 0 HG1 THR A 9 12.909 -0.090 -3.970 1.00 1.75 H new ATOM 0 HG21 THR A 9 13.578 1.144 -5.839 1.00 1.75 H new ATOM 0 HG22 THR A 9 13.983 2.858 -5.582 1.00 1.75 H new ATOM 0 HG23 THR A 9 15.073 1.587 -4.980 1.00 1.75 H new ATOM 131 N ARG A 10 14.293 5.224 -2.865 1.00 1.13 N ATOM 132 CA ARG A 10 13.976 6.620 -3.172 1.00 1.11 C ATOM 133 C ARG A 10 14.147 6.917 -4.659 1.00 1.52 C ATOM 134 O ARG A 10 15.217 6.722 -5.231 1.00 1.68 O ATOM 135 CB ARG A 10 14.762 7.602 -2.301 1.00 1.16 C ATOM 136 CG ARG A 10 14.057 8.969 -2.287 1.00 1.51 C ATOM 137 CD ARG A 10 15.001 10.091 -1.855 1.00 1.76 C ATOM 138 NE ARG A 10 14.283 11.365 -1.641 1.00 2.24 N ATOM 139 CZ ARG A 10 13.918 12.255 -2.560 1.00 2.85 C ATOM 140 NH1 ARG A 10 14.096 12.062 -3.846 1.00 3.60 N ATOM 141 NH2 ARG A 10 13.338 13.377 -2.199 1.00 3.61 N ATOM 0 H ARG A 10 15.188 5.085 -2.396 1.00 1.13 H new ATOM 0 HA ARG A 10 12.924 6.766 -2.928 1.00 1.11 H new ATOM 0 HB2 ARG A 10 14.845 7.215 -1.285 1.00 1.16 H new ATOM 0 HB3 ARG A 10 15.777 7.710 -2.684 1.00 1.16 H new ATOM 0 HG2 ARG A 10 13.665 9.186 -3.281 1.00 1.51 H new ATOM 0 HG3 ARG A 10 13.204 8.931 -1.610 1.00 1.51 H new ATOM 0 HD2 ARG A 10 15.510 9.803 -0.935 1.00 1.76 H new ATOM 0 HD3 ARG A 10 15.770 10.231 -2.615 1.00 1.76 H new ATOM 0 HE ARG A 10 14.039 11.588 -0.676 1.00 2.24 H new ATOM 0 HH11 ARG A 10 14.530 11.201 -4.177 1.00 3.60 H new ATOM 0 HH12 ARG A 10 13.800 12.773 -4.514 1.00 3.60 H new ATOM 0 HH21 ARG A 10 13.166 13.568 -1.212 1.00 3.61 H new ATOM 0 HH22 ARG A 10 13.059 14.057 -2.906 1.00 3.61 H new ATOM 155 N LEU A 11 13.095 7.474 -5.256 1.00 1.13 N ATOM 156 CA LEU A 11 13.176 7.976 -6.632 1.00 1.05 C ATOM 157 C LEU A 11 13.921 9.312 -6.675 1.00 1.39 C ATOM 158 O LEU A 11 13.758 10.155 -5.792 1.00 1.91 O ATOM 159 CB LEU A 11 11.784 8.097 -7.279 1.00 1.01 C ATOM 160 CG LEU A 11 11.026 6.770 -7.496 1.00 1.37 C ATOM 161 CD1 LEU A 11 9.835 7.036 -8.429 1.00 1.66 C ATOM 162 CD2 LEU A 11 11.890 5.657 -8.114 1.00 1.43 C ATOM 0 H LEU A 11 12.182 7.590 -4.815 1.00 1.13 H new ATOM 0 HA LEU A 11 13.740 7.249 -7.216 1.00 1.05 H new ATOM 0 HB2 LEU A 11 11.170 8.747 -6.656 1.00 1.01 H new ATOM 0 HB3 LEU A 11 11.894 8.592 -8.244 1.00 1.01 H new ATOM 0 HG LEU A 11 10.712 6.420 -6.513 1.00 1.37 H new ATOM 0 HD11 LEU A 11 9.287 6.108 -8.594 1.00 1.66 H new ATOM 0 HD12 LEU A 11 9.173 7.772 -7.973 1.00 1.66 H new ATOM 0 HD13 LEU A 11 10.198 7.417 -9.383 1.00 1.66 H new ATOM 0 HD21 LEU A 11 11.289 4.756 -8.236 1.00 1.43 H new ATOM 0 HD22 LEU A 11 12.260 5.981 -9.087 1.00 1.43 H new ATOM 0 HD23 LEU A 11 12.734 5.444 -7.457 1.00 1.43 H new ATOM 174 N LEU A 12 14.706 9.531 -7.731 1.00 1.14 N ATOM 175 CA LEU A 12 15.224 10.858 -8.106 1.00 1.28 C ATOM 176 C LEU A 12 14.320 11.547 -9.143 1.00 1.61 C ATOM 177 O LEU A 12 14.346 12.763 -9.290 1.00 2.05 O ATOM 178 CB LEU A 12 16.662 10.715 -8.625 1.00 1.50 C ATOM 179 CG LEU A 12 17.657 10.125 -7.602 1.00 2.00 C ATOM 180 CD1 LEU A 12 19.062 10.263 -8.189 1.00 2.64 C ATOM 181 CD2 LEU A 12 17.620 10.817 -6.228 1.00 3.10 C ATOM 0 H LEU A 12 15.006 8.787 -8.360 1.00 1.14 H new ATOM 0 HA LEU A 12 15.227 11.496 -7.222 1.00 1.28 H new ATOM 0 HB2 LEU A 12 16.653 10.081 -9.512 1.00 1.50 H new ATOM 0 HB3 LEU A 12 17.021 11.695 -8.938 1.00 1.50 H new ATOM 0 HG LEU A 12 17.375 9.086 -7.429 1.00 2.00 H new ATOM 0 HD11 LEU A 12 19.791 9.854 -7.489 1.00 2.64 H new ATOM 0 HD12 LEU A 12 19.118 9.717 -9.131 1.00 2.64 H new ATOM 0 HD13 LEU A 12 19.280 11.316 -8.366 1.00 2.64 H new ATOM 0 HD21 LEU A 12 18.346 10.347 -5.564 1.00 3.10 H new ATOM 0 HD22 LEU A 12 17.866 11.872 -6.345 1.00 3.10 H new ATOM 0 HD23 LEU A 12 16.622 10.722 -5.800 1.00 3.10 H new ATOM 193 N ASN A 13 13.492 10.756 -9.823 1.00 1.36 N ATOM 194 CA ASN A 13 12.640 11.094 -10.958 1.00 1.49 C ATOM 195 C ASN A 13 11.142 10.860 -10.634 1.00 1.40 C ATOM 196 O ASN A 13 10.534 9.948 -11.201 1.00 1.68 O ATOM 197 CB ASN A 13 13.124 10.242 -12.154 1.00 1.93 C ATOM 198 CG ASN A 13 13.140 8.720 -11.918 1.00 3.75 C ATOM 199 OD1 ASN A 13 13.008 8.215 -10.806 1.00 5.04 O ATOM 200 ND2 ASN A 13 13.343 7.948 -12.971 1.00 4.59 N ATOM 0 H ASN A 13 13.393 9.773 -9.569 1.00 1.36 H new ATOM 0 HA ASN A 13 12.719 12.154 -11.200 1.00 1.49 H new ATOM 0 HB2 ASN A 13 12.484 10.453 -13.011 1.00 1.93 H new ATOM 0 HB3 ASN A 13 14.131 10.562 -12.422 1.00 1.93 H new ATOM 0 HD21 ASN A 13 13.390 6.935 -12.859 1.00 4.59 H new ATOM 0 HD22 ASN A 13 13.453 8.365 -13.895 1.00 4.59 H new ATOM 207 N PRO A 14 10.537 11.638 -9.711 1.00 1.12 N ATOM 208 CA PRO A 14 9.212 11.344 -9.177 1.00 1.07 C ATOM 209 C PRO A 14 8.113 11.581 -10.210 1.00 1.29 C ATOM 210 O PRO A 14 7.709 12.705 -10.511 1.00 1.57 O ATOM 211 CB PRO A 14 9.070 12.206 -7.919 1.00 1.17 C ATOM 212 CG PRO A 14 9.956 13.412 -8.223 1.00 1.30 C ATOM 213 CD PRO A 14 11.105 12.786 -9.015 1.00 1.26 C ATOM 0 HA PRO A 14 9.102 10.290 -8.923 1.00 1.07 H new ATOM 0 HB2 PRO A 14 8.035 12.500 -7.747 1.00 1.17 H new ATOM 0 HB3 PRO A 14 9.404 11.675 -7.027 1.00 1.17 H new ATOM 0 HG2 PRO A 14 9.427 14.168 -8.804 1.00 1.30 H new ATOM 0 HG3 PRO A 14 10.308 13.897 -7.313 1.00 1.30 H new ATOM 0 HD2 PRO A 14 11.526 13.501 -9.722 1.00 1.26 H new ATOM 0 HD3 PRO A 14 11.914 12.479 -8.352 1.00 1.26 H new ATOM 221 N LYS A 15 7.641 10.465 -10.762 1.00 1.00 N ATOM 222 CA LYS A 15 6.706 10.417 -11.884 1.00 1.15 C ATOM 223 C LYS A 15 5.253 10.624 -11.411 1.00 1.33 C ATOM 224 O LYS A 15 4.912 10.082 -10.360 1.00 1.41 O ATOM 225 CB LYS A 15 6.940 9.083 -12.628 1.00 1.37 C ATOM 226 CG LYS A 15 6.101 7.889 -12.134 1.00 1.63 C ATOM 227 CD LYS A 15 6.318 6.601 -12.943 1.00 1.66 C ATOM 228 CE LYS A 15 5.262 5.578 -12.496 1.00 1.99 C ATOM 229 NZ LYS A 15 5.286 4.315 -13.271 1.00 2.67 N ATOM 0 H LYS A 15 7.908 9.538 -10.429 1.00 1.00 H new ATOM 0 HA LYS A 15 6.884 11.236 -12.581 1.00 1.15 H new ATOM 0 HB2 LYS A 15 6.732 9.237 -13.687 1.00 1.37 H new ATOM 0 HB3 LYS A 15 7.995 8.822 -12.545 1.00 1.37 H new ATOM 0 HG2 LYS A 15 6.342 7.695 -11.089 1.00 1.63 H new ATOM 0 HG3 LYS A 15 5.045 8.158 -12.173 1.00 1.63 H new ATOM 0 HD2 LYS A 15 6.227 6.801 -14.011 1.00 1.66 H new ATOM 0 HD3 LYS A 15 7.322 6.210 -12.776 1.00 1.66 H new ATOM 0 HE2 LYS A 15 5.415 5.349 -11.441 1.00 1.99 H new ATOM 0 HE3 LYS A 15 4.273 6.028 -12.584 1.00 1.99 H new ATOM 0 HZ1 LYS A 15 4.571 3.662 -12.892 1.00 2.67 H new ATOM 0 HZ2 LYS A 15 5.077 4.516 -14.270 1.00 2.67 H new ATOM 0 HZ3 LYS A 15 6.227 3.879 -13.196 1.00 2.67 H new ATOM 243 N PRO A 16 4.382 11.343 -12.146 1.00 1.09 N ATOM 244 CA PRO A 16 2.961 11.397 -11.820 1.00 1.04 C ATOM 245 C PRO A 16 2.355 9.993 -11.965 1.00 1.09 C ATOM 246 O PRO A 16 2.775 9.229 -12.835 1.00 0.98 O ATOM 247 CB PRO A 16 2.350 12.403 -12.797 1.00 1.26 C ATOM 248 CG PRO A 16 3.271 12.316 -14.013 1.00 1.28 C ATOM 249 CD PRO A 16 4.644 12.025 -13.404 1.00 1.23 C ATOM 0 HA PRO A 16 2.768 11.712 -10.794 1.00 1.04 H new ATOM 0 HB2 PRO A 16 1.322 12.143 -13.051 1.00 1.26 H new ATOM 0 HB3 PRO A 16 2.330 13.409 -12.378 1.00 1.26 H new ATOM 0 HG2 PRO A 16 2.960 11.526 -14.696 1.00 1.28 H new ATOM 0 HG3 PRO A 16 3.273 13.246 -14.582 1.00 1.28 H new ATOM 0 HD2 PRO A 16 5.243 11.403 -14.069 1.00 1.23 H new ATOM 0 HD3 PRO A 16 5.203 12.947 -13.240 1.00 1.23 H new ATOM 257 N VAL A 17 1.394 9.656 -11.104 1.00 0.69 N ATOM 258 CA VAL A 17 0.743 8.335 -11.033 1.00 0.63 C ATOM 259 C VAL A 17 -0.735 8.471 -10.655 1.00 1.08 C ATOM 260 O VAL A 17 -1.097 9.348 -9.877 1.00 1.19 O ATOM 261 CB VAL A 17 1.433 7.393 -10.012 1.00 0.68 C ATOM 262 CG1 VAL A 17 2.755 6.840 -10.560 1.00 0.82 C ATOM 263 CG2 VAL A 17 1.709 8.017 -8.634 1.00 0.88 C ATOM 0 H VAL A 17 1.031 10.312 -10.412 1.00 0.69 H new ATOM 0 HA VAL A 17 0.834 7.897 -12.027 1.00 0.63 H new ATOM 0 HB VAL A 17 0.704 6.596 -9.866 1.00 0.68 H new ATOM 0 HG11 VAL A 17 3.210 6.184 -9.818 1.00 0.82 H new ATOM 0 HG12 VAL A 17 2.563 6.277 -11.473 1.00 0.82 H new ATOM 0 HG13 VAL A 17 3.432 7.666 -10.779 1.00 0.82 H new ATOM 0 HG21 VAL A 17 2.193 7.281 -7.992 1.00 0.88 H new ATOM 0 HG22 VAL A 17 2.362 8.882 -8.750 1.00 0.88 H new ATOM 0 HG23 VAL A 17 0.768 8.331 -8.182 1.00 0.88 H new ATOM 273 N ASP A 18 -1.565 7.558 -11.164 1.00 0.64 N ATOM 274 CA ASP A 18 -2.985 7.416 -10.806 1.00 0.66 C ATOM 275 C ASP A 18 -3.476 5.987 -11.090 1.00 0.93 C ATOM 276 O ASP A 18 -2.852 5.219 -11.823 1.00 1.38 O ATOM 277 CB ASP A 18 -3.859 8.475 -11.519 1.00 0.82 C ATOM 278 CG ASP A 18 -5.302 8.545 -10.987 1.00 1.10 C ATOM 279 OD1 ASP A 18 -5.529 8.243 -9.792 1.00 2.10 O ATOM 280 OD2 ASP A 18 -6.223 8.946 -11.732 1.00 1.83 O ATOM 0 H ASP A 18 -1.262 6.875 -11.858 1.00 0.64 H new ATOM 0 HA ASP A 18 -3.082 7.595 -9.735 1.00 0.66 H new ATOM 0 HB2 ASP A 18 -3.392 9.454 -11.408 1.00 0.82 H new ATOM 0 HB3 ASP A 18 -3.885 8.254 -12.586 1.00 0.82 H new ATOM 285 N PHE A 19 -4.609 5.631 -10.490 1.00 0.66 N ATOM 286 CA PHE A 19 -5.268 4.341 -10.630 1.00 0.67 C ATOM 287 C PHE A 19 -6.783 4.497 -10.488 1.00 1.53 C ATOM 288 O PHE A 19 -7.261 5.496 -9.953 1.00 1.75 O ATOM 289 CB PHE A 19 -4.694 3.360 -9.591 1.00 0.75 C ATOM 290 CG PHE A 19 -4.988 3.654 -8.124 1.00 0.94 C ATOM 291 CD1 PHE A 19 -6.218 3.251 -7.564 1.00 2.26 C ATOM 292 CD2 PHE A 19 -4.024 4.259 -7.291 1.00 2.18 C ATOM 293 CE1 PHE A 19 -6.482 3.449 -6.196 1.00 2.30 C ATOM 294 CE2 PHE A 19 -4.267 4.405 -5.914 1.00 2.20 C ATOM 295 CZ PHE A 19 -5.500 4.010 -5.368 1.00 1.28 C ATOM 0 H PHE A 19 -5.112 6.263 -9.867 1.00 0.66 H new ATOM 0 HA PHE A 19 -5.078 3.937 -11.624 1.00 0.67 H new ATOM 0 HB2 PHE A 19 -5.074 2.364 -9.819 1.00 0.75 H new ATOM 0 HB3 PHE A 19 -3.612 3.326 -9.719 1.00 0.75 H new ATOM 0 HD1 PHE A 19 -6.964 2.786 -8.191 1.00 2.26 H new ATOM 0 HD2 PHE A 19 -3.095 4.612 -7.713 1.00 2.18 H new ATOM 0 HE1 PHE A 19 -7.440 3.169 -5.784 1.00 2.30 H new ATOM 0 HE2 PHE A 19 -3.504 4.822 -5.274 1.00 2.20 H new ATOM 0 HZ PHE A 19 -5.691 4.138 -4.313 1.00 1.28 H new ATOM 305 N ALA A 20 -7.542 3.474 -10.891 1.00 0.68 N ATOM 306 CA ALA A 20 -8.966 3.356 -10.584 1.00 0.65 C ATOM 307 C ALA A 20 -9.265 1.958 -10.021 1.00 0.80 C ATOM 308 O ALA A 20 -9.068 0.962 -10.705 1.00 0.90 O ATOM 309 CB ALA A 20 -9.781 3.661 -11.848 1.00 0.74 C ATOM 0 H ALA A 20 -7.179 2.698 -11.445 1.00 0.68 H new ATOM 0 HA ALA A 20 -9.251 4.078 -9.819 1.00 0.65 H new ATOM 0 HB1 ALA A 20 -10.844 3.574 -11.625 1.00 0.74 H new ATOM 0 HB2 ALA A 20 -9.562 4.674 -12.186 1.00 0.74 H new ATOM 0 HB3 ALA A 20 -9.516 2.952 -12.632 1.00 0.74 H new ATOM 315 N LEU A 21 -9.725 1.901 -8.766 1.00 0.59 N ATOM 316 CA LEU A 21 -10.065 0.681 -8.024 1.00 0.54 C ATOM 317 C LEU A 21 -11.465 0.799 -7.403 1.00 0.87 C ATOM 318 O LEU A 21 -12.134 1.822 -7.546 1.00 1.11 O ATOM 319 CB LEU A 21 -8.985 0.423 -6.943 1.00 0.55 C ATOM 320 CG LEU A 21 -8.136 -0.852 -7.103 1.00 0.77 C ATOM 321 CD1 LEU A 21 -8.966 -2.137 -6.984 1.00 1.12 C ATOM 322 CD2 LEU A 21 -7.346 -0.851 -8.415 1.00 1.25 C ATOM 0 H LEU A 21 -9.878 2.745 -8.213 1.00 0.59 H new ATOM 0 HA LEU A 21 -10.085 -0.168 -8.707 1.00 0.54 H new ATOM 0 HB2 LEU A 21 -8.312 1.280 -6.924 1.00 0.55 H new ATOM 0 HB3 LEU A 21 -9.478 0.383 -5.972 1.00 0.55 H new ATOM 0 HG LEU A 21 -7.428 -0.841 -6.274 1.00 0.77 H new ATOM 0 HD11 LEU A 21 -8.315 -3.003 -7.105 1.00 1.12 H new ATOM 0 HD12 LEU A 21 -9.441 -2.174 -6.004 1.00 1.12 H new ATOM 0 HD13 LEU A 21 -9.733 -2.148 -7.759 1.00 1.12 H new ATOM 0 HD21 LEU A 21 -6.761 -1.768 -8.488 1.00 1.25 H new ATOM 0 HD22 LEU A 21 -8.037 -0.794 -9.256 1.00 1.25 H new ATOM 0 HD23 LEU A 21 -6.677 0.009 -8.436 1.00 1.25 H new ATOM 334 N GLU A 22 -11.889 -0.249 -6.698 1.00 0.57 N ATOM 335 CA GLU A 22 -13.218 -0.418 -6.120 1.00 0.50 C ATOM 336 C GLU A 22 -13.098 -0.750 -4.621 1.00 0.91 C ATOM 337 O GLU A 22 -12.152 -1.420 -4.199 1.00 1.13 O ATOM 338 CB GLU A 22 -13.908 -1.505 -6.960 1.00 0.58 C ATOM 339 CG GLU A 22 -15.299 -1.958 -6.511 1.00 1.40 C ATOM 340 CD GLU A 22 -15.976 -2.818 -7.591 1.00 2.22 C ATOM 341 OE1 GLU A 22 -15.255 -3.486 -8.374 1.00 2.77 O ATOM 342 OE2 GLU A 22 -17.222 -2.741 -7.663 1.00 3.36 O ATOM 0 H GLU A 22 -11.281 -1.045 -6.505 1.00 0.57 H new ATOM 0 HA GLU A 22 -13.824 0.487 -6.155 1.00 0.50 H new ATOM 0 HB2 GLU A 22 -13.985 -1.142 -7.985 1.00 0.58 H new ATOM 0 HB3 GLU A 22 -13.258 -2.380 -6.980 1.00 0.58 H new ATOM 0 HG2 GLU A 22 -15.218 -2.528 -5.585 1.00 1.40 H new ATOM 0 HG3 GLU A 22 -15.917 -1.086 -6.296 1.00 1.40 H new ATOM 349 N GLY A 23 -14.016 -0.226 -3.804 1.00 0.52 N ATOM 350 CA GLY A 23 -14.130 -0.473 -2.359 1.00 0.53 C ATOM 351 C GLY A 23 -15.567 -0.830 -1.950 1.00 0.69 C ATOM 352 O GLY A 23 -16.449 -0.813 -2.807 1.00 0.84 O ATOM 0 H GLY A 23 -14.735 0.412 -4.145 1.00 0.52 H new ATOM 0 HA2 GLY A 23 -13.460 -1.284 -2.076 1.00 0.53 H new ATOM 0 HA3 GLY A 23 -13.807 0.413 -1.813 1.00 0.53 H new ATOM 356 N PRO A 24 -15.842 -1.104 -0.659 1.00 0.58 N ATOM 357 CA PRO A 24 -17.134 -1.603 -0.153 1.00 0.81 C ATOM 358 C PRO A 24 -18.224 -0.508 -0.067 1.00 1.11 C ATOM 359 O PRO A 24 -18.998 -0.437 0.887 1.00 1.09 O ATOM 360 CB PRO A 24 -16.786 -2.212 1.209 1.00 0.92 C ATOM 361 CG PRO A 24 -15.707 -1.252 1.702 1.00 0.87 C ATOM 362 CD PRO A 24 -14.883 -1.025 0.437 1.00 0.62 C ATOM 0 HA PRO A 24 -17.582 -2.332 -0.829 1.00 0.81 H new ATOM 0 HB2 PRO A 24 -17.646 -2.241 1.878 1.00 0.92 H new ATOM 0 HB3 PRO A 24 -16.417 -3.234 1.120 1.00 0.92 H new ATOM 0 HG2 PRO A 24 -16.131 -0.324 2.085 1.00 0.87 H new ATOM 0 HG3 PRO A 24 -15.111 -1.686 2.505 1.00 0.87 H new ATOM 0 HD2 PRO A 24 -14.387 -0.055 0.458 1.00 0.62 H new ATOM 0 HD3 PRO A 24 -14.103 -1.779 0.334 1.00 0.62 H new ATOM 370 N GLN A 25 -18.257 0.385 -1.058 1.00 1.15 N ATOM 371 CA GLN A 25 -19.128 1.562 -1.131 1.00 1.29 C ATOM 372 C GLN A 25 -19.155 2.231 -2.520 1.00 1.47 C ATOM 373 O GLN A 25 -20.090 2.984 -2.783 1.00 1.99 O ATOM 374 CB GLN A 25 -18.719 2.569 -0.031 1.00 1.39 C ATOM 375 CG GLN A 25 -19.869 3.510 0.370 1.00 2.47 C ATOM 376 CD GLN A 25 -19.710 4.036 1.795 1.00 2.70 C ATOM 377 OE1 GLN A 25 -19.428 5.195 2.041 1.00 3.12 O ATOM 378 NE2 GLN A 25 -19.874 3.201 2.802 1.00 3.26 N ATOM 0 H GLN A 25 -17.647 0.304 -1.872 1.00 1.15 H new ATOM 0 HA GLN A 25 -20.149 1.219 -0.961 1.00 1.29 H new ATOM 0 HB2 GLN A 25 -18.379 2.022 0.848 1.00 1.39 H new ATOM 0 HB3 GLN A 25 -17.875 3.163 -0.383 1.00 1.39 H new ATOM 0 HG2 GLN A 25 -19.908 4.350 -0.324 1.00 2.47 H new ATOM 0 HG3 GLN A 25 -20.818 2.980 0.283 1.00 2.47 H new ATOM 0 HE21 GLN A 25 -20.111 2.225 2.622 1.00 3.26 H new ATOM 0 HE22 GLN A 25 -19.764 3.531 3.761 1.00 3.26 H new ATOM 387 N GLY A 26 -18.182 1.964 -3.409 1.00 0.99 N ATOM 388 CA GLY A 26 -18.091 2.564 -4.745 1.00 1.04 C ATOM 389 C GLY A 26 -16.671 2.533 -5.342 1.00 1.13 C ATOM 390 O GLY A 26 -15.750 2.005 -4.711 1.00 1.32 O ATOM 0 H GLY A 26 -17.423 1.311 -3.211 1.00 0.99 H new ATOM 0 HA2 GLY A 26 -18.770 2.038 -5.417 1.00 1.04 H new ATOM 0 HA3 GLY A 26 -18.431 3.598 -4.693 1.00 1.04 H new ATOM 394 N PRO A 27 -16.484 3.078 -6.560 1.00 0.99 N ATOM 395 CA PRO A 27 -15.185 3.211 -7.213 1.00 1.08 C ATOM 396 C PRO A 27 -14.399 4.419 -6.676 1.00 1.19 C ATOM 397 O PRO A 27 -14.987 5.417 -6.265 1.00 1.10 O ATOM 398 CB PRO A 27 -15.506 3.366 -8.702 1.00 1.16 C ATOM 399 CG PRO A 27 -16.847 4.103 -8.686 1.00 1.08 C ATOM 400 CD PRO A 27 -17.545 3.540 -7.444 1.00 0.97 C ATOM 0 HA PRO A 27 -14.547 2.348 -7.022 1.00 1.08 H new ATOM 0 HB2 PRO A 27 -14.738 3.936 -9.224 1.00 1.16 H new ATOM 0 HB3 PRO A 27 -15.581 2.400 -9.202 1.00 1.16 H new ATOM 0 HG2 PRO A 27 -16.712 5.182 -8.617 1.00 1.08 H new ATOM 0 HG3 PRO A 27 -17.422 3.911 -9.592 1.00 1.08 H new ATOM 0 HD2 PRO A 27 -18.152 4.304 -6.958 1.00 0.97 H new ATOM 0 HD3 PRO A 27 -18.215 2.722 -7.710 1.00 0.97 H new ATOM 408 N VAL A 28 -13.065 4.337 -6.702 1.00 0.92 N ATOM 409 CA VAL A 28 -12.144 5.359 -6.165 1.00 0.96 C ATOM 410 C VAL A 28 -10.896 5.519 -7.048 1.00 1.14 C ATOM 411 O VAL A 28 -10.540 4.595 -7.782 1.00 1.13 O ATOM 412 CB VAL A 28 -11.782 5.014 -4.697 1.00 1.08 C ATOM 413 CG1 VAL A 28 -10.903 3.762 -4.578 1.00 2.20 C ATOM 414 CG2 VAL A 28 -11.108 6.181 -3.959 1.00 2.38 C ATOM 0 H VAL A 28 -12.577 3.538 -7.107 1.00 0.92 H new ATOM 0 HA VAL A 28 -12.647 6.326 -6.175 1.00 0.96 H new ATOM 0 HB VAL A 28 -12.740 4.810 -4.219 1.00 1.08 H new ATOM 0 HG11 VAL A 28 -10.683 3.571 -3.528 1.00 2.20 H new ATOM 0 HG12 VAL A 28 -11.430 2.906 -5.000 1.00 2.20 H new ATOM 0 HG13 VAL A 28 -9.971 3.919 -5.122 1.00 2.20 H new ATOM 0 HG21 VAL A 28 -10.878 5.881 -2.937 1.00 2.38 H new ATOM 0 HG22 VAL A 28 -10.186 6.453 -4.473 1.00 2.38 H new ATOM 0 HG23 VAL A 28 -11.781 7.038 -3.943 1.00 2.38 H new ATOM 424 N ARG A 29 -10.217 6.671 -6.965 1.00 0.73 N ATOM 425 CA ARG A 29 -8.921 6.909 -7.617 1.00 0.64 C ATOM 426 C ARG A 29 -7.884 7.505 -6.665 1.00 1.10 C ATOM 427 O ARG A 29 -8.253 8.114 -5.668 1.00 1.33 O ATOM 428 CB ARG A 29 -9.070 7.880 -8.796 1.00 0.76 C ATOM 429 CG ARG A 29 -9.901 7.340 -9.962 1.00 0.93 C ATOM 430 CD ARG A 29 -9.404 7.999 -11.253 1.00 1.72 C ATOM 431 NE ARG A 29 -10.099 7.482 -12.432 1.00 2.57 N ATOM 432 CZ ARG A 29 -11.266 7.896 -12.902 1.00 3.37 C ATOM 433 NH1 ARG A 29 -11.933 8.882 -12.330 1.00 3.63 N ATOM 434 NH2 ARG A 29 -11.772 7.302 -13.960 1.00 4.87 N ATOM 0 H ARG A 29 -10.556 7.475 -6.436 1.00 0.73 H new ATOM 0 HA ARG A 29 -8.580 5.931 -7.956 1.00 0.64 H new ATOM 0 HB2 ARG A 29 -9.528 8.801 -8.436 1.00 0.76 H new ATOM 0 HB3 ARG A 29 -8.077 8.140 -9.164 1.00 0.76 H new ATOM 0 HG2 ARG A 29 -9.804 6.256 -10.027 1.00 0.93 H new ATOM 0 HG3 ARG A 29 -10.958 7.557 -9.807 1.00 0.93 H new ATOM 0 HD2 ARG A 29 -9.550 9.077 -11.190 1.00 1.72 H new ATOM 0 HD3 ARG A 29 -8.333 7.828 -11.359 1.00 1.72 H new ATOM 0 HE ARG A 29 -9.639 6.728 -12.943 1.00 2.57 H new ATOM 0 HH11 ARG A 29 -11.551 9.345 -11.505 1.00 3.63 H new ATOM 0 HH12 ARG A 29 -12.830 9.181 -12.713 1.00 3.63 H new ATOM 0 HH21 ARG A 29 -11.267 6.536 -14.405 1.00 4.87 H new ATOM 0 HH22 ARG A 29 -12.670 7.607 -14.336 1.00 4.87 H new ATOM 448 N LEU A 30 -6.603 7.455 -7.051 1.00 0.59 N ATOM 449 CA LEU A 30 -5.556 8.300 -6.453 1.00 0.75 C ATOM 450 C LEU A 30 -5.880 9.788 -6.669 1.00 1.21 C ATOM 451 O LEU A 30 -5.794 10.592 -5.745 1.00 1.48 O ATOM 452 CB LEU A 30 -4.192 7.928 -7.080 1.00 0.89 C ATOM 453 CG LEU A 30 -3.048 7.740 -6.075 1.00 0.88 C ATOM 454 CD1 LEU A 30 -1.775 7.332 -6.826 1.00 2.10 C ATOM 455 CD2 LEU A 30 -2.761 8.992 -5.251 1.00 2.15 C ATOM 0 H LEU A 30 -6.262 6.832 -7.783 1.00 0.59 H new ATOM 0 HA LEU A 30 -5.511 8.127 -5.378 1.00 0.75 H new ATOM 0 HB2 LEU A 30 -4.310 7.007 -7.650 1.00 0.89 H new ATOM 0 HB3 LEU A 30 -3.910 8.707 -7.788 1.00 0.89 H new ATOM 0 HG LEU A 30 -3.362 6.962 -5.379 1.00 0.88 H new ATOM 0 HD11 LEU A 30 -0.960 7.198 -6.115 1.00 2.10 H new ATOM 0 HD12 LEU A 30 -1.950 6.397 -7.358 1.00 2.10 H new ATOM 0 HD13 LEU A 30 -1.508 8.111 -7.540 1.00 2.10 H new ATOM 0 HD21 LEU A 30 -1.942 8.793 -4.560 1.00 2.15 H new ATOM 0 HD22 LEU A 30 -2.484 9.810 -5.916 1.00 2.15 H new ATOM 0 HD23 LEU A 30 -3.652 9.269 -4.688 1.00 2.15 H new ATOM 467 N SER A 31 -6.345 10.137 -7.868 1.00 0.92 N ATOM 468 CA SER A 31 -6.764 11.484 -8.294 1.00 1.23 C ATOM 469 C SER A 31 -8.029 12.049 -7.608 1.00 1.70 C ATOM 470 O SER A 31 -8.570 13.052 -8.070 1.00 2.48 O ATOM 471 CB SER A 31 -6.877 11.519 -9.828 1.00 1.38 C ATOM 472 OG SER A 31 -7.731 10.508 -10.346 1.00 1.71 O ATOM 0 H SER A 31 -6.448 9.451 -8.616 1.00 0.92 H new ATOM 0 HA SER A 31 -5.981 12.162 -7.953 1.00 1.23 H new ATOM 0 HB2 SER A 31 -7.250 12.495 -10.137 1.00 1.38 H new ATOM 0 HB3 SER A 31 -5.884 11.405 -10.262 1.00 1.38 H new ATOM 0 HG SER A 31 -7.324 10.115 -11.146 1.00 1.71 H new ATOM 478 N GLN A 32 -8.507 11.468 -6.496 1.00 1.32 N ATOM 479 CA GLN A 32 -9.426 12.150 -5.580 1.00 1.64 C ATOM 480 C GLN A 32 -8.774 12.555 -4.244 1.00 1.86 C ATOM 481 O GLN A 32 -9.447 13.146 -3.406 1.00 2.03 O ATOM 482 CB GLN A 32 -10.715 11.330 -5.386 1.00 2.01 C ATOM 483 CG GLN A 32 -10.601 10.063 -4.519 1.00 1.22 C ATOM 484 CD GLN A 32 -11.811 9.874 -3.602 1.00 2.17 C ATOM 485 OE1 GLN A 32 -11.709 9.794 -2.391 1.00 4.00 O ATOM 486 NE2 GLN A 32 -13.021 9.791 -4.125 1.00 2.43 N ATOM 0 H GLN A 32 -8.267 10.518 -6.211 1.00 1.32 H new ATOM 0 HA GLN A 32 -9.700 13.093 -6.053 1.00 1.64 H new ATOM 0 HB2 GLN A 32 -11.469 11.980 -4.942 1.00 2.01 H new ATOM 0 HB3 GLN A 32 -11.085 11.038 -6.369 1.00 2.01 H new ATOM 0 HG2 GLN A 32 -10.499 9.191 -5.166 1.00 1.22 H new ATOM 0 HG3 GLN A 32 -9.696 10.120 -3.915 1.00 1.22 H new ATOM 0 HE21 GLN A 32 -13.145 9.854 -5.135 1.00 2.43 H new ATOM 0 HE22 GLN A 32 -13.831 9.664 -3.518 1.00 2.43 H new ATOM 495 N PHE A 33 -7.481 12.274 -4.027 1.00 1.52 N ATOM 496 CA PHE A 33 -6.759 12.587 -2.783 1.00 1.71 C ATOM 497 C PHE A 33 -5.232 12.726 -2.975 1.00 2.13 C ATOM 498 O PHE A 33 -4.446 12.356 -2.107 1.00 2.49 O ATOM 499 CB PHE A 33 -7.185 11.605 -1.669 1.00 2.34 C ATOM 500 CG PHE A 33 -7.186 10.112 -1.978 1.00 1.47 C ATOM 501 CD1 PHE A 33 -6.033 9.455 -2.450 1.00 2.48 C ATOM 502 CD2 PHE A 33 -8.351 9.359 -1.733 1.00 2.08 C ATOM 503 CE1 PHE A 33 -6.049 8.067 -2.683 1.00 3.09 C ATOM 504 CE2 PHE A 33 -8.373 7.975 -1.980 1.00 1.90 C ATOM 505 CZ PHE A 33 -7.223 7.329 -2.461 1.00 2.44 C ATOM 0 H PHE A 33 -6.896 11.814 -4.724 1.00 1.52 H new ATOM 0 HA PHE A 33 -7.051 13.585 -2.456 1.00 1.71 H new ATOM 0 HB2 PHE A 33 -6.527 11.767 -0.815 1.00 2.34 H new ATOM 0 HB3 PHE A 33 -8.191 11.879 -1.352 1.00 2.34 H new ATOM 0 HD1 PHE A 33 -5.131 10.020 -2.634 1.00 2.48 H new ATOM 0 HD2 PHE A 33 -9.235 9.849 -1.352 1.00 2.08 H new ATOM 0 HE1 PHE A 33 -5.157 7.569 -3.033 1.00 3.09 H new ATOM 0 HE2 PHE A 33 -9.275 7.409 -1.800 1.00 1.90 H new ATOM 0 HZ PHE A 33 -7.241 6.268 -2.660 1.00 2.44 H new ATOM 515 N GLN A 34 -4.806 13.248 -4.126 1.00 0.97 N ATOM 516 CA GLN A 34 -3.401 13.318 -4.556 1.00 1.01 C ATOM 517 C GLN A 34 -2.500 14.221 -3.692 1.00 1.26 C ATOM 518 O GLN A 34 -1.298 13.981 -3.594 1.00 2.02 O ATOM 519 CB GLN A 34 -3.352 13.779 -6.018 1.00 1.08 C ATOM 520 CG GLN A 34 -3.992 15.157 -6.267 1.00 1.30 C ATOM 521 CD GLN A 34 -3.726 15.627 -7.689 1.00 1.59 C ATOM 522 OE1 GLN A 34 -4.019 14.945 -8.657 1.00 1.78 O ATOM 523 NE2 GLN A 34 -3.137 16.790 -7.873 1.00 2.49 N ATOM 0 H GLN A 34 -5.448 13.648 -4.810 1.00 0.97 H new ATOM 0 HA GLN A 34 -2.996 12.313 -4.436 1.00 1.01 H new ATOM 0 HB2 GLN A 34 -2.312 13.810 -6.343 1.00 1.08 H new ATOM 0 HB3 GLN A 34 -3.858 13.039 -6.638 1.00 1.08 H new ATOM 0 HG2 GLN A 34 -5.067 15.101 -6.093 1.00 1.30 H new ATOM 0 HG3 GLN A 34 -3.592 15.882 -5.559 1.00 1.30 H new ATOM 0 HE21 GLN A 34 -2.888 17.368 -7.070 1.00 2.49 H new ATOM 0 HE22 GLN A 34 -2.930 17.113 -8.818 1.00 2.49 H new ATOM 532 N ASP A 35 -3.085 15.232 -3.049 1.00 0.98 N ATOM 533 CA ASP A 35 -2.479 16.161 -2.087 1.00 1.12 C ATOM 534 C ASP A 35 -1.846 15.452 -0.872 1.00 1.23 C ATOM 535 O ASP A 35 -1.025 16.014 -0.148 1.00 1.46 O ATOM 536 CB ASP A 35 -3.601 17.088 -1.559 1.00 1.29 C ATOM 537 CG ASP A 35 -4.451 17.782 -2.636 1.00 2.78 C ATOM 538 OD1 ASP A 35 -5.122 17.055 -3.410 1.00 4.20 O ATOM 539 OD2 ASP A 35 -4.466 19.031 -2.643 1.00 3.58 O ATOM 0 H ASP A 35 -4.072 15.441 -3.197 1.00 0.98 H new ATOM 0 HA ASP A 35 -1.685 16.700 -2.604 1.00 1.12 H new ATOM 0 HB2 ASP A 35 -4.263 16.501 -0.922 1.00 1.29 H new ATOM 0 HB3 ASP A 35 -3.149 17.854 -0.929 1.00 1.29 H new ATOM 544 N LYS A 36 -2.283 14.220 -0.601 1.00 0.92 N ATOM 545 CA LYS A 36 -1.902 13.435 0.569 1.00 0.98 C ATOM 546 C LYS A 36 -0.525 12.754 0.422 1.00 1.12 C ATOM 547 O LYS A 36 0.100 12.709 -0.638 1.00 1.31 O ATOM 548 CB LYS A 36 -2.994 12.377 0.824 1.00 1.35 C ATOM 549 CG LYS A 36 -4.425 12.884 0.990 1.00 1.79 C ATOM 550 CD LYS A 36 -4.655 13.574 2.334 1.00 1.61 C ATOM 551 CE LYS A 36 -6.147 13.456 2.620 1.00 2.34 C ATOM 552 NZ LYS A 36 -6.515 14.003 3.947 1.00 2.81 N ATOM 0 H LYS A 36 -2.934 13.727 -1.213 1.00 0.92 H new ATOM 0 HA LYS A 36 -1.813 14.117 1.415 1.00 0.98 H new ATOM 0 HB2 LYS A 36 -2.979 11.669 -0.004 1.00 1.35 H new ATOM 0 HB3 LYS A 36 -2.725 11.822 1.723 1.00 1.35 H new ATOM 0 HG2 LYS A 36 -4.655 13.581 0.184 1.00 1.79 H new ATOM 0 HG3 LYS A 36 -5.116 12.047 0.893 1.00 1.79 H new ATOM 0 HD2 LYS A 36 -4.069 13.100 3.121 1.00 1.61 H new ATOM 0 HD3 LYS A 36 -4.347 14.619 2.293 1.00 1.61 H new ATOM 0 HE2 LYS A 36 -6.705 13.983 1.846 1.00 2.34 H new ATOM 0 HE3 LYS A 36 -6.442 12.408 2.568 1.00 2.34 H new ATOM 0 HZ1 LYS A 36 -7.274 13.425 4.362 1.00 2.81 H new ATOM 0 HZ2 LYS A 36 -5.684 13.985 4.572 1.00 2.81 H new ATOM 0 HZ3 LYS A 36 -6.846 14.983 3.839 1.00 2.81 H new ATOM 566 N VAL A 37 -0.119 12.132 1.525 1.00 0.76 N ATOM 567 CA VAL A 37 0.918 11.116 1.650 1.00 0.73 C ATOM 568 C VAL A 37 0.149 9.791 1.631 1.00 1.14 C ATOM 569 O VAL A 37 -0.435 9.379 2.634 1.00 1.44 O ATOM 570 CB VAL A 37 1.717 11.257 2.974 1.00 0.80 C ATOM 571 CG1 VAL A 37 2.942 10.333 2.961 1.00 1.01 C ATOM 572 CG2 VAL A 37 2.167 12.694 3.270 1.00 1.06 C ATOM 0 H VAL A 37 -0.543 12.344 2.428 1.00 0.76 H new ATOM 0 HA VAL A 37 1.657 11.197 0.853 1.00 0.73 H new ATOM 0 HB VAL A 37 1.030 10.967 3.769 1.00 0.80 H new ATOM 0 HG11 VAL A 37 3.491 10.444 3.896 1.00 1.01 H new ATOM 0 HG12 VAL A 37 2.616 9.299 2.852 1.00 1.01 H new ATOM 0 HG13 VAL A 37 3.590 10.599 2.126 1.00 1.01 H new ATOM 0 HG21 VAL A 37 2.719 12.716 4.210 1.00 1.06 H new ATOM 0 HG22 VAL A 37 2.809 13.048 2.463 1.00 1.06 H new ATOM 0 HG23 VAL A 37 1.293 13.340 3.347 1.00 1.06 H new ATOM 582 N VAL A 38 0.068 9.192 0.444 1.00 0.70 N ATOM 583 CA VAL A 38 -0.686 7.960 0.207 1.00 0.78 C ATOM 584 C VAL A 38 0.283 6.786 0.228 1.00 0.93 C ATOM 585 O VAL A 38 1.242 6.753 -0.549 1.00 0.85 O ATOM 586 CB VAL A 38 -1.481 8.001 -1.115 1.00 0.90 C ATOM 587 CG1 VAL A 38 -2.256 6.696 -1.355 1.00 1.13 C ATOM 588 CG2 VAL A 38 -2.465 9.179 -1.080 1.00 1.24 C ATOM 0 H VAL A 38 0.530 9.552 -0.391 1.00 0.70 H new ATOM 0 HA VAL A 38 -1.426 7.847 0.999 1.00 0.78 H new ATOM 0 HB VAL A 38 -0.770 8.124 -1.932 1.00 0.90 H new ATOM 0 HG11 VAL A 38 -2.802 6.765 -2.296 1.00 1.13 H new ATOM 0 HG12 VAL A 38 -1.557 5.861 -1.402 1.00 1.13 H new ATOM 0 HG13 VAL A 38 -2.959 6.535 -0.538 1.00 1.13 H new ATOM 0 HG21 VAL A 38 -3.028 9.211 -2.013 1.00 1.24 H new ATOM 0 HG22 VAL A 38 -3.154 9.053 -0.244 1.00 1.24 H new ATOM 0 HG23 VAL A 38 -1.913 10.111 -0.958 1.00 1.24 H new ATOM 598 N LEU A 39 0.018 5.841 1.131 1.00 0.72 N ATOM 599 CA LEU A 39 0.697 4.555 1.237 1.00 0.71 C ATOM 600 C LEU A 39 -0.189 3.495 0.573 1.00 1.18 C ATOM 601 O LEU A 39 -1.175 3.038 1.153 1.00 1.19 O ATOM 602 CB LEU A 39 0.952 4.240 2.725 1.00 0.84 C ATOM 603 CG LEU A 39 2.184 4.927 3.350 1.00 0.98 C ATOM 604 CD1 LEU A 39 2.111 6.463 3.353 1.00 2.38 C ATOM 605 CD2 LEU A 39 2.364 4.435 4.796 1.00 2.23 C ATOM 0 H LEU A 39 -0.708 5.959 1.838 1.00 0.72 H new ATOM 0 HA LEU A 39 1.663 4.570 0.732 1.00 0.71 H new ATOM 0 HB2 LEU A 39 0.069 4.528 3.295 1.00 0.84 H new ATOM 0 HB3 LEU A 39 1.065 3.161 2.836 1.00 0.84 H new ATOM 0 HG LEU A 39 3.034 4.655 2.724 1.00 0.98 H new ATOM 0 HD11 LEU A 39 3.014 6.869 3.809 1.00 2.38 H new ATOM 0 HD12 LEU A 39 2.027 6.825 2.328 1.00 2.38 H new ATOM 0 HD13 LEU A 39 1.240 6.785 3.924 1.00 2.38 H new ATOM 0 HD21 LEU A 39 3.234 4.919 5.239 1.00 2.23 H new ATOM 0 HD22 LEU A 39 1.476 4.682 5.378 1.00 2.23 H new ATOM 0 HD23 LEU A 39 2.510 3.355 4.797 1.00 2.23 H new ATOM 617 N LEU A 40 0.145 3.141 -0.668 1.00 0.89 N ATOM 618 CA LEU A 40 -0.605 2.188 -1.486 1.00 1.01 C ATOM 619 C LEU A 40 0.099 0.827 -1.418 1.00 1.21 C ATOM 620 O LEU A 40 1.265 0.736 -1.797 1.00 1.42 O ATOM 621 CB LEU A 40 -0.683 2.778 -2.910 1.00 1.24 C ATOM 622 CG LEU A 40 -1.730 2.173 -3.860 1.00 1.14 C ATOM 623 CD1 LEU A 40 -1.399 0.734 -4.263 1.00 2.06 C ATOM 624 CD2 LEU A 40 -3.149 2.282 -3.305 1.00 2.30 C ATOM 0 H LEU A 40 0.965 3.518 -1.144 1.00 0.89 H new ATOM 0 HA LEU A 40 -1.624 2.026 -1.133 1.00 1.01 H new ATOM 0 HB2 LEU A 40 -0.881 3.846 -2.824 1.00 1.24 H new ATOM 0 HB3 LEU A 40 0.297 2.672 -3.375 1.00 1.24 H new ATOM 0 HG LEU A 40 -1.690 2.774 -4.768 1.00 1.14 H new ATOM 0 HD11 LEU A 40 -2.171 0.357 -4.934 1.00 2.06 H new ATOM 0 HD12 LEU A 40 -0.435 0.711 -4.771 1.00 2.06 H new ATOM 0 HD13 LEU A 40 -1.355 0.108 -3.372 1.00 2.06 H new ATOM 0 HD21 LEU A 40 -3.851 1.841 -4.012 1.00 2.30 H new ATOM 0 HD22 LEU A 40 -3.210 1.752 -2.355 1.00 2.30 H new ATOM 0 HD23 LEU A 40 -3.400 3.332 -3.151 1.00 2.30 H new ATOM 636 N PHE A 41 -0.576 -0.212 -0.918 1.00 0.95 N ATOM 637 CA PHE A 41 0.056 -1.494 -0.580 1.00 0.88 C ATOM 638 C PHE A 41 -0.646 -2.664 -1.279 1.00 1.56 C ATOM 639 O PHE A 41 -1.869 -2.790 -1.193 1.00 1.83 O ATOM 640 CB PHE A 41 0.048 -1.658 0.951 1.00 0.97 C ATOM 641 CG PHE A 41 0.710 -2.919 1.493 1.00 1.02 C ATOM 642 CD1 PHE A 41 1.943 -3.369 0.986 1.00 2.10 C ATOM 643 CD2 PHE A 41 0.098 -3.640 2.537 1.00 2.24 C ATOM 644 CE1 PHE A 41 2.523 -4.558 1.467 1.00 1.98 C ATOM 645 CE2 PHE A 41 0.677 -4.822 3.029 1.00 2.30 C ATOM 646 CZ PHE A 41 1.885 -5.292 2.481 1.00 1.18 C ATOM 0 H PHE A 41 -1.579 -0.189 -0.735 1.00 0.95 H new ATOM 0 HA PHE A 41 1.086 -1.498 -0.935 1.00 0.88 H new ATOM 0 HB2 PHE A 41 0.545 -0.793 1.391 1.00 0.97 H new ATOM 0 HB3 PHE A 41 -0.987 -1.640 1.293 1.00 0.97 H new ATOM 0 HD1 PHE A 41 2.448 -2.798 0.222 1.00 2.10 H new ATOM 0 HD2 PHE A 41 -0.826 -3.280 2.964 1.00 2.24 H new ATOM 0 HE1 PHE A 41 3.459 -4.906 1.056 1.00 1.98 H new ATOM 0 HE2 PHE A 41 0.196 -5.369 3.826 1.00 2.30 H new ATOM 0 HZ PHE A 41 2.320 -6.214 2.839 1.00 1.18 H new ATOM 656 N PHE A 42 0.134 -3.528 -1.938 1.00 0.69 N ATOM 657 CA PHE A 42 -0.362 -4.681 -2.697 1.00 0.61 C ATOM 658 C PHE A 42 -0.257 -5.978 -1.872 1.00 1.76 C ATOM 659 O PHE A 42 0.838 -6.499 -1.628 1.00 2.16 O ATOM 660 CB PHE A 42 0.421 -4.803 -4.015 1.00 0.61 C ATOM 661 CG PHE A 42 0.002 -3.831 -5.103 1.00 0.68 C ATOM 662 CD1 PHE A 42 0.479 -2.510 -5.098 1.00 1.84 C ATOM 663 CD2 PHE A 42 -0.829 -4.264 -6.155 1.00 1.95 C ATOM 664 CE1 PHE A 42 0.157 -1.643 -6.160 1.00 1.80 C ATOM 665 CE2 PHE A 42 -1.183 -3.392 -7.196 1.00 2.03 C ATOM 666 CZ PHE A 42 -0.679 -2.082 -7.205 1.00 1.09 C ATOM 0 H PHE A 42 1.150 -3.443 -1.959 1.00 0.69 H new ATOM 0 HA PHE A 42 -1.417 -4.525 -2.923 1.00 0.61 H new ATOM 0 HB2 PHE A 42 1.480 -4.656 -3.806 1.00 0.61 H new ATOM 0 HB3 PHE A 42 0.309 -5.819 -4.394 1.00 0.61 H new ATOM 0 HD1 PHE A 42 1.092 -2.160 -4.281 1.00 1.84 H new ATOM 0 HD2 PHE A 42 -1.198 -5.279 -6.160 1.00 1.95 H new ATOM 0 HE1 PHE A 42 0.552 -0.638 -6.173 1.00 1.80 H new ATOM 0 HE2 PHE A 42 -1.839 -3.727 -7.986 1.00 2.03 H new ATOM 0 HZ PHE A 42 -0.932 -1.411 -8.013 1.00 1.09 H new ATOM 676 N GLY A 43 -1.421 -6.477 -1.432 1.00 0.72 N ATOM 677 CA GLY A 43 -1.610 -7.639 -0.552 1.00 0.91 C ATOM 678 C GLY A 43 -2.855 -8.490 -0.854 1.00 1.00 C ATOM 679 O GLY A 43 -3.606 -8.242 -1.799 1.00 0.91 O ATOM 0 H GLY A 43 -2.310 -6.054 -1.697 1.00 0.72 H new ATOM 0 HA2 GLY A 43 -0.728 -8.276 -0.622 1.00 0.91 H new ATOM 0 HA3 GLY A 43 -1.669 -7.289 0.479 1.00 0.91 H new ATOM 683 N PHE A 44 -3.089 -9.493 -0.002 1.00 1.20 N ATOM 684 CA PHE A 44 -4.358 -10.233 0.120 1.00 1.35 C ATOM 685 C PHE A 44 -4.452 -10.956 1.482 1.00 1.83 C ATOM 686 O PHE A 44 -3.439 -11.162 2.161 1.00 2.55 O ATOM 687 CB PHE A 44 -4.580 -11.182 -1.078 1.00 1.67 C ATOM 688 CG PHE A 44 -3.548 -12.277 -1.254 1.00 1.49 C ATOM 689 CD1 PHE A 44 -2.311 -11.993 -1.863 1.00 3.02 C ATOM 690 CD2 PHE A 44 -3.829 -13.592 -0.833 1.00 2.31 C ATOM 691 CE1 PHE A 44 -1.353 -13.007 -2.011 1.00 4.05 C ATOM 692 CE2 PHE A 44 -2.863 -14.604 -0.971 1.00 3.12 C ATOM 693 CZ PHE A 44 -1.620 -14.310 -1.556 1.00 3.84 C ATOM 0 H PHE A 44 -2.377 -9.827 0.647 1.00 1.20 H new ATOM 0 HA PHE A 44 -5.174 -9.511 0.091 1.00 1.35 H new ATOM 0 HB2 PHE A 44 -5.560 -11.647 -0.972 1.00 1.67 H new ATOM 0 HB3 PHE A 44 -4.607 -10.585 -1.990 1.00 1.67 H new ATOM 0 HD1 PHE A 44 -2.100 -10.995 -2.216 1.00 3.02 H new ATOM 0 HD2 PHE A 44 -4.792 -13.824 -0.402 1.00 2.31 H new ATOM 0 HE1 PHE A 44 -0.404 -12.785 -2.477 1.00 4.05 H new ATOM 0 HE2 PHE A 44 -3.076 -15.606 -0.628 1.00 3.12 H new ATOM 0 HZ PHE A 44 -0.872 -15.083 -1.656 1.00 3.84 H new ATOM 703 N THR A 45 -5.670 -11.311 1.905 1.00 1.03 N ATOM 704 CA THR A 45 -5.951 -12.047 3.150 1.00 1.31 C ATOM 705 C THR A 45 -5.590 -13.523 2.989 1.00 1.80 C ATOM 706 O THR A 45 -5.610 -14.059 1.885 1.00 3.22 O ATOM 707 CB THR A 45 -7.406 -11.867 3.614 1.00 1.51 C ATOM 708 OG1 THR A 45 -8.295 -12.398 2.670 1.00 2.05 O ATOM 709 CG2 THR A 45 -7.763 -10.399 3.858 1.00 1.36 C ATOM 0 H THR A 45 -6.515 -11.089 1.378 1.00 1.03 H new ATOM 0 HA THR A 45 -5.323 -11.625 3.934 1.00 1.31 H new ATOM 0 HB THR A 45 -7.497 -12.403 4.559 1.00 1.51 H new ATOM 0 HG1 THR A 45 -8.350 -11.797 1.898 1.00 2.05 H new ATOM 0 HG21 THR A 45 -8.801 -10.326 4.184 1.00 1.36 H new ATOM 0 HG22 THR A 45 -7.111 -9.989 4.629 1.00 1.36 H new ATOM 0 HG23 THR A 45 -7.632 -9.834 2.935 1.00 1.36 H new ATOM 717 N ARG A 46 -5.208 -14.176 4.093 1.00 1.91 N ATOM 718 CA ARG A 46 -4.668 -15.555 4.171 1.00 1.96 C ATOM 719 C ARG A 46 -3.167 -15.638 3.831 1.00 1.92 C ATOM 720 O ARG A 46 -2.574 -16.701 3.985 1.00 2.64 O ATOM 721 CB ARG A 46 -5.423 -16.590 3.308 1.00 2.18 C ATOM 722 CG ARG A 46 -6.955 -16.566 3.449 1.00 2.80 C ATOM 723 CD ARG A 46 -7.599 -17.360 2.302 1.00 3.76 C ATOM 724 NE ARG A 46 -8.923 -16.829 1.949 1.00 5.24 N ATOM 725 CZ ARG A 46 -9.139 -15.728 1.228 1.00 6.67 C ATOM 726 NH1 ARG A 46 -8.165 -14.954 0.800 1.00 6.93 N ATOM 727 NH2 ARG A 46 -10.371 -15.395 0.928 1.00 8.37 N ATOM 0 H ARG A 46 -5.267 -13.739 5.013 1.00 1.91 H new ATOM 0 HA ARG A 46 -4.820 -15.814 5.219 1.00 1.96 H new ATOM 0 HB2 ARG A 46 -5.168 -16.423 2.262 1.00 2.18 H new ATOM 0 HB3 ARG A 46 -5.066 -17.586 3.568 1.00 2.18 H new ATOM 0 HG2 ARG A 46 -7.247 -16.994 4.408 1.00 2.80 H new ATOM 0 HG3 ARG A 46 -7.314 -15.537 3.437 1.00 2.80 H new ATOM 0 HD2 ARG A 46 -6.949 -17.328 1.428 1.00 3.76 H new ATOM 0 HD3 ARG A 46 -7.692 -18.407 2.592 1.00 3.76 H new ATOM 0 HE ARG A 46 -9.740 -17.342 2.281 1.00 5.24 H new ATOM 0 HH11 ARG A 46 -7.196 -15.187 1.017 1.00 6.93 H new ATOM 0 HH12 ARG A 46 -8.379 -14.121 0.251 1.00 6.93 H new ATOM 0 HH21 ARG A 46 -11.148 -15.975 1.245 1.00 8.37 H new ATOM 0 HH22 ARG A 46 -10.553 -14.556 0.377 1.00 8.37 H new ATOM 741 N CYS A 47 -2.518 -14.544 3.400 1.00 1.38 N ATOM 742 CA CYS A 47 -1.052 -14.440 3.448 1.00 1.51 C ATOM 743 C CYS A 47 -0.570 -14.767 4.879 1.00 1.56 C ATOM 744 O CYS A 47 -1.128 -14.181 5.810 1.00 2.11 O ATOM 745 CB CYS A 47 -0.629 -13.025 3.047 1.00 2.07 C ATOM 746 SG CYS A 47 -0.565 -12.848 1.251 1.00 3.56 S ATOM 0 H CYS A 47 -2.984 -13.722 3.016 1.00 1.38 H new ATOM 0 HA CYS A 47 -0.602 -15.148 2.752 1.00 1.51 H new ATOM 0 HB2 CYS A 47 -1.331 -12.301 3.462 1.00 2.07 H new ATOM 0 HB3 CYS A 47 0.349 -12.800 3.472 1.00 2.07 H new ATOM 0 HG CYS A 47 -1.377 -13.702 0.702 1.00 3.56 H new ATOM 752 N PRO A 48 0.423 -15.663 5.061 1.00 1.56 N ATOM 753 CA PRO A 48 0.565 -16.450 6.286 1.00 2.03 C ATOM 754 C PRO A 48 1.061 -15.670 7.506 1.00 2.02 C ATOM 755 O PRO A 48 0.738 -16.075 8.616 1.00 2.39 O ATOM 756 CB PRO A 48 1.526 -17.592 5.932 1.00 2.71 C ATOM 757 CG PRO A 48 2.342 -17.031 4.770 1.00 2.68 C ATOM 758 CD PRO A 48 1.307 -16.189 4.030 1.00 2.11 C ATOM 0 HA PRO A 48 -0.419 -16.799 6.599 1.00 2.03 H new ATOM 0 HB2 PRO A 48 2.162 -17.857 6.777 1.00 2.71 H new ATOM 0 HB3 PRO A 48 0.987 -18.494 5.644 1.00 2.71 H new ATOM 0 HG2 PRO A 48 3.184 -16.431 5.115 1.00 2.68 H new ATOM 0 HG3 PRO A 48 2.751 -17.821 4.140 1.00 2.68 H new ATOM 0 HD2 PRO A 48 1.783 -15.382 3.473 1.00 2.11 H new ATOM 0 HD3 PRO A 48 0.754 -16.791 3.309 1.00 2.11 H new ATOM 766 N ASP A 49 1.802 -14.567 7.325 1.00 1.38 N ATOM 767 CA ASP A 49 2.237 -13.705 8.437 1.00 1.29 C ATOM 768 C ASP A 49 2.660 -12.326 7.913 1.00 1.13 C ATOM 769 O ASP A 49 2.207 -11.299 8.397 1.00 1.25 O ATOM 770 CB ASP A 49 3.380 -14.378 9.221 1.00 1.63 C ATOM 771 CG ASP A 49 3.651 -13.716 10.580 1.00 2.77 C ATOM 772 OD1 ASP A 49 2.682 -13.217 11.198 1.00 3.81 O ATOM 773 OD2 ASP A 49 4.830 -13.746 10.993 1.00 3.50 O ATOM 0 H ASP A 49 2.116 -14.247 6.409 1.00 1.38 H new ATOM 0 HA ASP A 49 1.399 -13.562 9.119 1.00 1.29 H new ATOM 0 HB2 ASP A 49 3.135 -15.429 9.378 1.00 1.63 H new ATOM 0 HB3 ASP A 49 4.290 -14.349 8.622 1.00 1.63 H new ATOM 778 N VAL A 50 3.391 -12.326 6.796 1.00 1.08 N ATOM 779 CA VAL A 50 3.846 -11.142 6.041 1.00 1.02 C ATOM 780 C VAL A 50 2.788 -10.033 5.840 1.00 1.09 C ATOM 781 O VAL A 50 3.130 -8.854 5.791 1.00 1.30 O ATOM 782 CB VAL A 50 4.463 -11.576 4.697 1.00 1.21 C ATOM 783 CG1 VAL A 50 3.428 -12.173 3.722 1.00 1.80 C ATOM 784 CG2 VAL A 50 5.233 -10.433 4.023 1.00 1.51 C ATOM 0 H VAL A 50 3.702 -13.197 6.365 1.00 1.08 H new ATOM 0 HA VAL A 50 4.604 -10.673 6.669 1.00 1.02 H new ATOM 0 HB VAL A 50 5.169 -12.369 4.944 1.00 1.21 H new ATOM 0 HG11 VAL A 50 3.924 -12.459 2.795 1.00 1.80 H new ATOM 0 HG12 VAL A 50 2.968 -13.052 4.173 1.00 1.80 H new ATOM 0 HG13 VAL A 50 2.659 -11.431 3.508 1.00 1.80 H new ATOM 0 HG21 VAL A 50 5.651 -10.783 3.079 1.00 1.51 H new ATOM 0 HG22 VAL A 50 4.556 -9.600 3.833 1.00 1.51 H new ATOM 0 HG23 VAL A 50 6.040 -10.103 4.677 1.00 1.51 H new ATOM 794 N CYS A 51 1.496 -10.379 5.735 1.00 0.98 N ATOM 795 CA CYS A 51 0.421 -9.379 5.710 1.00 1.03 C ATOM 796 C CYS A 51 0.191 -8.728 7.090 1.00 1.23 C ATOM 797 O CYS A 51 0.341 -7.507 7.163 1.00 1.40 O ATOM 798 CB CYS A 51 -0.850 -9.967 5.069 1.00 1.22 C ATOM 799 SG CYS A 51 -0.779 -9.645 3.284 1.00 1.57 S ATOM 0 H CYS A 51 1.172 -11.344 5.666 1.00 0.98 H new ATOM 0 HA CYS A 51 0.733 -8.553 5.072 1.00 1.03 H new ATOM 0 HB2 CYS A 51 -0.913 -11.038 5.261 1.00 1.22 H new ATOM 0 HB3 CYS A 51 -1.741 -9.513 5.503 1.00 1.22 H new ATOM 0 HG CYS A 51 -1.797 -10.205 2.701 1.00 1.57 H new ATOM 805 N PRO A 52 -0.189 -9.465 8.157 1.00 0.93 N ATOM 806 CA PRO A 52 -0.368 -8.875 9.480 1.00 0.99 C ATOM 807 C PRO A 52 0.907 -8.255 10.077 1.00 1.17 C ATOM 808 O PRO A 52 0.761 -7.273 10.797 1.00 1.09 O ATOM 809 CB PRO A 52 -0.977 -9.965 10.370 1.00 1.23 C ATOM 810 CG PRO A 52 -0.732 -11.271 9.620 1.00 1.23 C ATOM 811 CD PRO A 52 -0.699 -10.834 8.155 1.00 1.06 C ATOM 0 HA PRO A 52 -1.036 -8.017 9.405 1.00 0.99 H new ATOM 0 HB2 PRO A 52 -0.506 -9.980 11.353 1.00 1.23 H new ATOM 0 HB3 PRO A 52 -2.042 -9.795 10.529 1.00 1.23 H new ATOM 0 HG2 PRO A 52 0.205 -11.738 9.922 1.00 1.23 H new ATOM 0 HG3 PRO A 52 -1.524 -11.996 9.806 1.00 1.23 H new ATOM 0 HD2 PRO A 52 -0.057 -11.489 7.566 1.00 1.06 H new ATOM 0 HD3 PRO A 52 -1.694 -10.880 7.711 1.00 1.06 H new ATOM 819 N THR A 53 2.126 -8.734 9.768 1.00 0.77 N ATOM 820 CA THR A 53 3.380 -8.105 10.220 1.00 0.77 C ATOM 821 C THR A 53 3.586 -6.732 9.590 1.00 0.97 C ATOM 822 O THR A 53 3.678 -5.755 10.331 1.00 0.94 O ATOM 823 CB THR A 53 4.598 -8.997 9.953 1.00 0.88 C ATOM 824 OG1 THR A 53 4.593 -9.385 8.609 1.00 2.47 O ATOM 825 CG2 THR A 53 4.578 -10.251 10.820 1.00 2.04 C ATOM 0 H THR A 53 2.269 -9.568 9.198 1.00 0.77 H new ATOM 0 HA THR A 53 3.285 -7.975 11.298 1.00 0.77 H new ATOM 0 HB THR A 53 5.494 -8.425 10.194 1.00 0.88 H new ATOM 0 HG1 THR A 53 5.366 -8.993 8.152 1.00 2.47 H new ATOM 0 HG21 THR A 53 5.457 -10.858 10.602 1.00 2.04 H new ATOM 0 HG22 THR A 53 4.585 -9.966 11.872 1.00 2.04 H new ATOM 0 HG23 THR A 53 3.678 -10.827 10.606 1.00 2.04 H new ATOM 833 N THR A 54 3.568 -6.629 8.252 1.00 0.68 N ATOM 834 CA THR A 54 3.695 -5.351 7.524 1.00 0.66 C ATOM 835 C THR A 54 2.568 -4.393 7.910 1.00 0.84 C ATOM 836 O THR A 54 2.830 -3.216 8.151 1.00 0.81 O ATOM 837 CB THR A 54 3.772 -5.595 6.010 1.00 0.71 C ATOM 838 OG1 THR A 54 5.019 -6.160 5.665 1.00 1.03 O ATOM 839 CG2 THR A 54 3.700 -4.297 5.200 1.00 0.87 C ATOM 0 H THR A 54 3.464 -7.436 7.637 1.00 0.68 H new ATOM 0 HA THR A 54 4.629 -4.870 7.814 1.00 0.66 H new ATOM 0 HB THR A 54 2.928 -6.246 5.781 1.00 0.71 H new ATOM 0 HG1 THR A 54 5.242 -6.873 6.300 1.00 1.03 H new ATOM 0 HG21 THR A 54 3.759 -4.528 4.136 1.00 0.87 H new ATOM 0 HG22 THR A 54 2.759 -3.789 5.409 1.00 0.87 H new ATOM 0 HG23 THR A 54 4.531 -3.649 5.477 1.00 0.87 H new ATOM 847 N LEU A 55 1.331 -4.878 8.065 1.00 0.62 N ATOM 848 CA LEU A 55 0.220 -4.046 8.538 1.00 0.66 C ATOM 849 C LEU A 55 0.414 -3.562 9.978 1.00 1.10 C ATOM 850 O LEU A 55 0.065 -2.415 10.270 1.00 1.32 O ATOM 851 CB LEU A 55 -1.117 -4.798 8.395 1.00 0.74 C ATOM 852 CG LEU A 55 -1.641 -4.852 6.948 1.00 0.83 C ATOM 853 CD1 LEU A 55 -2.746 -5.911 6.829 1.00 1.62 C ATOM 854 CD2 LEU A 55 -2.210 -3.488 6.524 1.00 1.16 C ATOM 0 H LEU A 55 1.074 -5.845 7.869 1.00 0.62 H new ATOM 0 HA LEU A 55 0.200 -3.157 7.907 1.00 0.66 H new ATOM 0 HB2 LEU A 55 -0.994 -5.815 8.766 1.00 0.74 H new ATOM 0 HB3 LEU A 55 -1.864 -4.317 9.026 1.00 0.74 H new ATOM 0 HG LEU A 55 -0.807 -5.111 6.296 1.00 0.83 H new ATOM 0 HD11 LEU A 55 -3.111 -5.942 5.802 1.00 1.62 H new ATOM 0 HD12 LEU A 55 -2.345 -6.887 7.102 1.00 1.62 H new ATOM 0 HD13 LEU A 55 -3.568 -5.656 7.498 1.00 1.62 H new ATOM 0 HD21 LEU A 55 -2.575 -3.549 5.499 1.00 1.16 H new ATOM 0 HD22 LEU A 55 -3.032 -3.215 7.186 1.00 1.16 H new ATOM 0 HD23 LEU A 55 -1.427 -2.732 6.587 1.00 1.16 H new ATOM 866 N LEU A 56 0.992 -4.374 10.872 1.00 0.63 N ATOM 867 CA LEU A 56 1.345 -3.918 12.215 1.00 0.63 C ATOM 868 C LEU A 56 2.447 -2.859 12.143 1.00 1.02 C ATOM 869 O LEU A 56 2.288 -1.795 12.735 1.00 1.17 O ATOM 870 CB LEU A 56 1.761 -5.109 13.099 1.00 0.67 C ATOM 871 CG LEU A 56 1.807 -4.730 14.591 1.00 0.97 C ATOM 872 CD1 LEU A 56 0.412 -4.579 15.218 1.00 1.82 C ATOM 873 CD2 LEU A 56 2.608 -5.775 15.377 1.00 1.76 C ATOM 0 H LEU A 56 1.224 -5.350 10.686 1.00 0.63 H new ATOM 0 HA LEU A 56 0.469 -3.458 12.673 1.00 0.63 H new ATOM 0 HB2 LEU A 56 1.059 -5.930 12.955 1.00 0.67 H new ATOM 0 HB3 LEU A 56 2.741 -5.469 12.786 1.00 0.67 H new ATOM 0 HG LEU A 56 2.294 -3.757 14.648 1.00 0.97 H new ATOM 0 HD11 LEU A 56 0.513 -4.311 16.270 1.00 1.82 H new ATOM 0 HD12 LEU A 56 -0.139 -3.797 14.696 1.00 1.82 H new ATOM 0 HD13 LEU A 56 -0.129 -5.522 15.134 1.00 1.82 H new ATOM 0 HD21 LEU A 56 2.634 -5.497 16.431 1.00 1.76 H new ATOM 0 HD22 LEU A 56 2.135 -6.751 15.271 1.00 1.76 H new ATOM 0 HD23 LEU A 56 3.626 -5.821 14.989 1.00 1.76 H new ATOM 885 N ALA A 57 3.542 -3.111 11.423 1.00 0.64 N ATOM 886 CA ALA A 57 4.666 -2.177 11.333 1.00 0.69 C ATOM 887 C ALA A 57 4.265 -0.824 10.727 1.00 0.82 C ATOM 888 O ALA A 57 4.671 0.228 11.248 1.00 1.02 O ATOM 889 CB ALA A 57 5.783 -2.839 10.526 1.00 0.72 C ATOM 0 H ALA A 57 3.674 -3.968 10.886 1.00 0.64 H new ATOM 0 HA ALA A 57 5.015 -1.955 12.341 1.00 0.69 H new ATOM 0 HB1 ALA A 57 6.629 -2.157 10.449 1.00 0.72 H new ATOM 0 HB2 ALA A 57 6.099 -3.755 11.026 1.00 0.72 H new ATOM 0 HB3 ALA A 57 5.418 -3.078 9.527 1.00 0.72 H new ATOM 895 N LEU A 58 3.445 -0.829 9.668 1.00 0.66 N ATOM 896 CA LEU A 58 3.013 0.401 9.004 1.00 0.69 C ATOM 897 C LEU A 58 2.059 1.204 9.898 1.00 1.11 C ATOM 898 O LEU A 58 2.248 2.407 10.086 1.00 1.28 O ATOM 899 CB LEU A 58 2.520 0.066 7.578 1.00 0.88 C ATOM 900 CG LEU A 58 1.047 -0.311 7.346 1.00 1.95 C ATOM 901 CD1 LEU A 58 0.160 0.931 7.246 1.00 3.14 C ATOM 902 CD2 LEU A 58 0.932 -1.061 6.009 1.00 3.14 C ATOM 0 H LEU A 58 3.067 -1.680 9.252 1.00 0.66 H new ATOM 0 HA LEU A 58 3.845 1.090 8.857 1.00 0.69 H new ATOM 0 HB2 LEU A 58 2.738 0.928 6.948 1.00 0.88 H new ATOM 0 HB3 LEU A 58 3.129 -0.760 7.209 1.00 0.88 H new ATOM 0 HG LEU A 58 0.722 -0.922 8.188 1.00 1.95 H new ATOM 0 HD11 LEU A 58 -0.874 0.627 7.082 1.00 3.14 H new ATOM 0 HD12 LEU A 58 0.228 1.502 8.172 1.00 3.14 H new ATOM 0 HD13 LEU A 58 0.493 1.550 6.413 1.00 3.14 H new ATOM 0 HD21 LEU A 58 -0.109 -1.334 5.833 1.00 3.14 H new ATOM 0 HD22 LEU A 58 1.280 -0.419 5.200 1.00 3.14 H new ATOM 0 HD23 LEU A 58 1.543 -1.963 6.044 1.00 3.14 H new ATOM 914 N LYS A 59 1.089 0.548 10.546 1.00 0.66 N ATOM 915 CA LYS A 59 0.231 1.247 11.514 1.00 0.70 C ATOM 916 C LYS A 59 1.036 1.780 12.717 1.00 0.86 C ATOM 917 O LYS A 59 0.762 2.887 13.187 1.00 0.92 O ATOM 918 CB LYS A 59 -1.019 0.405 11.848 1.00 0.82 C ATOM 919 CG LYS A 59 -0.957 -0.507 13.085 1.00 0.87 C ATOM 920 CD LYS A 59 -1.360 0.214 14.377 1.00 1.13 C ATOM 921 CE LYS A 59 -1.679 -0.798 15.482 1.00 0.89 C ATOM 922 NZ LYS A 59 -1.987 -0.101 16.750 1.00 1.37 N ATOM 0 H LYS A 59 0.880 -0.443 10.423 1.00 0.66 H new ATOM 0 HA LYS A 59 -0.166 2.155 11.060 1.00 0.70 H new ATOM 0 HB2 LYS A 59 -1.859 1.088 11.977 1.00 0.82 H new ATOM 0 HB3 LYS A 59 -1.245 -0.218 10.983 1.00 0.82 H new ATOM 0 HG2 LYS A 59 -1.614 -1.363 12.932 1.00 0.87 H new ATOM 0 HG3 LYS A 59 0.055 -0.897 13.193 1.00 0.87 H new ATOM 0 HD2 LYS A 59 -0.553 0.871 14.700 1.00 1.13 H new ATOM 0 HD3 LYS A 59 -2.230 0.845 14.192 1.00 1.13 H new ATOM 0 HE2 LYS A 59 -2.527 -1.415 15.184 1.00 0.89 H new ATOM 0 HE3 LYS A 59 -0.831 -1.468 15.625 1.00 0.89 H new ATOM 0 HZ1 LYS A 59 -2.656 -0.671 17.306 1.00 1.37 H new ATOM 0 HZ2 LYS A 59 -1.111 0.033 17.294 1.00 1.37 H new ATOM 0 HZ3 LYS A 59 -2.411 0.826 16.543 1.00 1.37 H new ATOM 936 N ARG A 60 2.084 1.075 13.170 1.00 0.71 N ATOM 937 CA ARG A 60 3.000 1.587 14.203 1.00 0.75 C ATOM 938 C ARG A 60 3.805 2.822 13.750 1.00 1.18 C ATOM 939 O ARG A 60 4.213 3.599 14.614 1.00 1.18 O ATOM 940 CB ARG A 60 3.943 0.480 14.717 1.00 0.78 C ATOM 941 CG ARG A 60 3.291 -0.599 15.603 1.00 1.01 C ATOM 942 CD ARG A 60 2.644 -0.073 16.888 1.00 1.86 C ATOM 943 NE ARG A 60 3.612 0.575 17.794 1.00 2.21 N ATOM 944 CZ ARG A 60 3.417 1.688 18.497 1.00 3.51 C ATOM 945 NH1 ARG A 60 2.301 2.381 18.458 1.00 4.62 N ATOM 946 NH2 ARG A 60 4.373 2.128 19.285 1.00 4.45 N ATOM 0 H ARG A 60 2.320 0.141 12.834 1.00 0.71 H new ATOM 0 HA ARG A 60 2.365 1.916 15.025 1.00 0.75 H new ATOM 0 HB2 ARG A 60 4.400 -0.010 13.857 1.00 0.78 H new ATOM 0 HB3 ARG A 60 4.749 0.949 15.282 1.00 0.78 H new ATOM 0 HG2 ARG A 60 2.533 -1.119 15.018 1.00 1.01 H new ATOM 0 HG3 ARG A 60 4.049 -1.336 15.870 1.00 1.01 H new ATOM 0 HD2 ARG A 60 1.862 0.641 16.629 1.00 1.86 H new ATOM 0 HD3 ARG A 60 2.162 -0.899 17.410 1.00 1.86 H new ATOM 0 HE ARG A 60 4.522 0.125 17.891 1.00 2.21 H new ATOM 0 HH11 ARG A 60 1.529 2.072 17.867 1.00 4.62 H new ATOM 0 HH12 ARG A 60 2.207 3.228 19.019 1.00 4.62 H new ATOM 0 HH21 ARG A 60 5.253 1.617 19.353 1.00 4.45 H new ATOM 0 HH22 ARG A 60 4.234 2.980 19.828 1.00 4.45 H new ATOM 960 N ALA A 61 4.039 3.033 12.447 1.00 0.77 N ATOM 961 CA ALA A 61 4.613 4.276 11.910 1.00 0.80 C ATOM 962 C ALA A 61 3.611 5.443 11.962 1.00 0.91 C ATOM 963 O ALA A 61 3.972 6.527 12.403 1.00 1.00 O ATOM 964 CB ALA A 61 5.148 4.029 10.494 1.00 0.85 C ATOM 0 H ALA A 61 3.833 2.339 11.729 1.00 0.77 H new ATOM 0 HA ALA A 61 5.449 4.575 12.543 1.00 0.80 H new ATOM 0 HB1 ALA A 61 5.573 4.952 10.099 1.00 0.85 H new ATOM 0 HB2 ALA A 61 5.919 3.259 10.526 1.00 0.85 H new ATOM 0 HB3 ALA A 61 4.333 3.700 9.849 1.00 0.85 H new ATOM 970 N TYR A 62 2.342 5.214 11.602 1.00 0.78 N ATOM 971 CA TYR A 62 1.268 6.210 11.742 1.00 0.87 C ATOM 972 C TYR A 62 1.044 6.644 13.209 1.00 1.15 C ATOM 973 O TYR A 62 0.849 7.822 13.492 1.00 1.32 O ATOM 974 CB TYR A 62 -0.013 5.648 11.098 1.00 0.95 C ATOM 975 CG TYR A 62 -1.245 6.517 11.273 1.00 1.54 C ATOM 976 CD1 TYR A 62 -1.982 6.431 12.469 1.00 2.49 C ATOM 977 CD2 TYR A 62 -1.665 7.402 10.257 1.00 2.15 C ATOM 978 CE1 TYR A 62 -3.115 7.234 12.665 1.00 3.12 C ATOM 979 CE2 TYR A 62 -2.824 8.185 10.432 1.00 2.63 C ATOM 980 CZ TYR A 62 -3.553 8.101 11.643 1.00 2.84 C ATOM 981 OH TYR A 62 -4.687 8.827 11.833 1.00 3.56 O ATOM 0 H TYR A 62 2.028 4.329 11.203 1.00 0.78 H new ATOM 0 HA TYR A 62 1.563 7.121 11.221 1.00 0.87 H new ATOM 0 HB2 TYR A 62 0.165 5.505 10.032 1.00 0.95 H new ATOM 0 HB3 TYR A 62 -0.215 4.665 11.522 1.00 0.95 H new ATOM 0 HD1 TYR A 62 -1.673 5.742 13.241 1.00 2.49 H new ATOM 0 HD2 TYR A 62 -1.096 7.480 9.342 1.00 2.15 H new ATOM 0 HE1 TYR A 62 -3.653 7.188 13.600 1.00 3.12 H new ATOM 0 HE2 TYR A 62 -3.155 8.847 9.645 1.00 2.63 H new ATOM 0 HH TYR A 62 -4.859 9.378 11.041 1.00 3.56 H new ATOM 991 N GLU A 63 1.145 5.701 14.152 1.00 0.86 N ATOM 992 CA GLU A 63 1.070 5.924 15.605 1.00 1.07 C ATOM 993 C GLU A 63 2.271 6.705 16.175 1.00 1.31 C ATOM 994 O GLU A 63 2.283 7.067 17.349 1.00 1.66 O ATOM 995 CB GLU A 63 0.838 4.592 16.338 1.00 1.22 C ATOM 996 CG GLU A 63 -0.586 4.064 16.090 1.00 1.33 C ATOM 997 CD GLU A 63 -0.883 2.751 16.813 1.00 1.89 C ATOM 998 OE1 GLU A 63 0.026 1.902 16.993 1.00 2.70 O ATOM 999 OE2 GLU A 63 -2.061 2.501 17.130 1.00 2.57 O ATOM 0 H GLU A 63 1.287 4.719 13.916 1.00 0.86 H new ATOM 0 HA GLU A 63 0.211 6.571 15.783 1.00 1.07 H new ATOM 0 HB2 GLU A 63 1.566 3.855 15.999 1.00 1.22 H new ATOM 0 HB3 GLU A 63 0.997 4.729 17.408 1.00 1.22 H new ATOM 0 HG2 GLU A 63 -1.305 4.817 16.411 1.00 1.33 H new ATOM 0 HG3 GLU A 63 -0.731 3.921 15.019 1.00 1.33 H new ATOM 1006 N LYS A 64 3.329 6.912 15.383 1.00 0.95 N ATOM 1007 CA LYS A 64 4.453 7.791 15.731 1.00 1.04 C ATOM 1008 C LYS A 64 4.206 9.280 15.384 1.00 1.11 C ATOM 1009 O LYS A 64 5.039 10.132 15.696 1.00 1.37 O ATOM 1010 CB LYS A 64 5.680 7.263 14.966 1.00 1.36 C ATOM 1011 CG LYS A 64 7.020 7.601 15.638 1.00 2.06 C ATOM 1012 CD LYS A 64 7.399 6.688 16.809 1.00 2.07 C ATOM 1013 CE LYS A 64 7.564 5.231 16.353 1.00 3.14 C ATOM 1014 NZ LYS A 64 8.539 4.514 17.201 1.00 3.85 N ATOM 0 H LYS A 64 3.431 6.468 14.470 1.00 0.95 H new ATOM 0 HA LYS A 64 4.597 7.769 16.811 1.00 1.04 H new ATOM 0 HB2 LYS A 64 5.597 6.181 14.866 1.00 1.36 H new ATOM 0 HB3 LYS A 64 5.675 7.678 13.958 1.00 1.36 H new ATOM 0 HG2 LYS A 64 7.809 7.553 14.888 1.00 2.06 H new ATOM 0 HG3 LYS A 64 6.982 8.630 15.995 1.00 2.06 H new ATOM 0 HD2 LYS A 64 8.328 7.037 17.259 1.00 2.07 H new ATOM 0 HD3 LYS A 64 6.631 6.745 17.580 1.00 2.07 H new ATOM 0 HE2 LYS A 64 6.600 4.723 16.393 1.00 3.14 H new ATOM 0 HE3 LYS A 64 7.894 5.207 15.314 1.00 3.14 H new ATOM 0 HZ1 LYS A 64 8.618 3.528 16.881 1.00 3.85 H new ATOM 0 HZ2 LYS A 64 9.468 4.977 17.130 1.00 3.85 H new ATOM 0 HZ3 LYS A 64 8.218 4.532 18.190 1.00 3.85 H new ATOM 1028 N LEU A 65 3.129 9.619 14.669 1.00 0.96 N ATOM 1029 CA LEU A 65 2.975 10.924 14.007 1.00 1.03 C ATOM 1030 C LEU A 65 2.348 12.010 14.907 1.00 1.41 C ATOM 1031 O LEU A 65 1.437 11.708 15.676 1.00 1.71 O ATOM 1032 CB LEU A 65 2.109 10.737 12.749 1.00 1.23 C ATOM 1033 CG LEU A 65 2.695 9.808 11.670 1.00 1.11 C ATOM 1034 CD1 LEU A 65 1.715 9.754 10.491 1.00 1.54 C ATOM 1035 CD2 LEU A 65 4.083 10.246 11.180 1.00 1.41 C ATOM 0 H LEU A 65 2.334 8.995 14.531 1.00 0.96 H new ATOM 0 HA LEU A 65 3.976 11.277 13.758 1.00 1.03 H new ATOM 0 HB2 LEU A 65 1.139 10.345 13.053 1.00 1.23 H new ATOM 0 HB3 LEU A 65 1.932 11.716 12.303 1.00 1.23 H new ATOM 0 HG LEU A 65 2.828 8.823 12.117 1.00 1.11 H new ATOM 0 HD11 LEU A 65 2.114 9.100 9.716 1.00 1.54 H new ATOM 0 HD12 LEU A 65 0.755 9.368 10.833 1.00 1.54 H new ATOM 0 HD13 LEU A 65 1.579 10.756 10.085 1.00 1.54 H new ATOM 0 HD21 LEU A 65 4.438 9.549 10.421 1.00 1.41 H new ATOM 0 HD22 LEU A 65 4.019 11.246 10.752 1.00 1.41 H new ATOM 0 HD23 LEU A 65 4.779 10.254 12.019 1.00 1.41 H new ATOM 1047 N PRO A 66 2.734 13.296 14.758 1.00 1.15 N ATOM 1048 CA PRO A 66 1.998 14.404 15.355 1.00 1.37 C ATOM 1049 C PRO A 66 0.626 14.570 14.678 1.00 1.46 C ATOM 1050 O PRO A 66 0.475 14.213 13.503 1.00 1.23 O ATOM 1051 CB PRO A 66 2.872 15.646 15.154 1.00 1.57 C ATOM 1052 CG PRO A 66 3.668 15.322 13.893 1.00 1.44 C ATOM 1053 CD PRO A 66 3.838 13.804 13.955 1.00 1.24 C ATOM 0 HA PRO A 66 1.800 14.233 16.413 1.00 1.37 H new ATOM 0 HB2 PRO A 66 2.269 16.545 15.028 1.00 1.57 H new ATOM 0 HB3 PRO A 66 3.526 15.819 16.008 1.00 1.57 H new ATOM 0 HG2 PRO A 66 3.136 15.629 12.993 1.00 1.44 H new ATOM 0 HG3 PRO A 66 4.631 15.833 13.884 1.00 1.44 H new ATOM 0 HD2 PRO A 66 3.822 13.371 12.955 1.00 1.24 H new ATOM 0 HD3 PRO A 66 4.796 13.539 14.401 1.00 1.24 H new ATOM 1061 N PRO A 67 -0.357 15.187 15.362 1.00 1.38 N ATOM 1062 CA PRO A 67 -1.710 15.359 14.844 1.00 1.46 C ATOM 1063 C PRO A 67 -1.803 16.262 13.607 1.00 1.58 C ATOM 1064 O PRO A 67 -2.852 16.297 12.975 1.00 1.58 O ATOM 1065 CB PRO A 67 -2.542 15.891 16.015 1.00 1.69 C ATOM 1066 CG PRO A 67 -1.509 16.587 16.898 1.00 1.79 C ATOM 1067 CD PRO A 67 -0.273 15.709 16.719 1.00 1.61 C ATOM 0 HA PRO A 67 -2.088 14.404 14.478 1.00 1.46 H new ATOM 0 HB2 PRO A 67 -3.313 16.583 15.678 1.00 1.69 H new ATOM 0 HB3 PRO A 67 -3.047 15.085 16.547 1.00 1.69 H new ATOM 0 HG2 PRO A 67 -1.327 17.613 16.578 1.00 1.79 H new ATOM 0 HG3 PRO A 67 -1.829 16.630 17.939 1.00 1.79 H new ATOM 0 HD2 PRO A 67 0.641 16.285 16.861 1.00 1.61 H new ATOM 0 HD3 PRO A 67 -0.257 14.900 17.450 1.00 1.61 H new ATOM 1075 N LYS A 68 -0.725 16.959 13.212 1.00 1.42 N ATOM 1076 CA LYS A 68 -0.684 17.738 11.956 1.00 1.47 C ATOM 1077 C LYS A 68 -0.039 16.960 10.792 1.00 1.57 C ATOM 1078 O LYS A 68 -0.150 17.333 9.625 1.00 1.64 O ATOM 1079 CB LYS A 68 -0.035 19.110 12.213 1.00 1.70 C ATOM 1080 CG LYS A 68 -0.773 19.968 13.266 1.00 1.86 C ATOM 1081 CD LYS A 68 -2.264 20.250 12.988 1.00 2.38 C ATOM 1082 CE LYS A 68 -2.474 21.114 11.736 1.00 2.68 C ATOM 1083 NZ LYS A 68 -3.899 21.151 11.324 1.00 3.09 N ATOM 0 H LYS A 68 0.141 17.001 13.749 1.00 1.42 H new ATOM 0 HA LYS A 68 -1.708 17.915 11.627 1.00 1.47 H new ATOM 0 HB2 LYS A 68 0.994 18.958 12.540 1.00 1.70 H new ATOM 0 HB3 LYS A 68 0.007 19.662 11.274 1.00 1.70 H new ATOM 0 HG2 LYS A 68 -0.692 19.470 14.232 1.00 1.86 H new ATOM 0 HG3 LYS A 68 -0.254 20.922 13.355 1.00 1.86 H new ATOM 0 HD2 LYS A 68 -2.793 19.305 12.866 1.00 2.38 H new ATOM 0 HD3 LYS A 68 -2.703 20.752 13.850 1.00 2.38 H new ATOM 0 HE2 LYS A 68 -2.126 22.128 11.932 1.00 2.68 H new ATOM 0 HE3 LYS A 68 -1.869 20.722 10.918 1.00 2.68 H new ATOM 0 HZ1 LYS A 68 -3.959 21.238 10.289 1.00 3.09 H new ATOM 0 HZ2 LYS A 68 -4.370 20.274 11.626 1.00 3.09 H new ATOM 0 HZ3 LYS A 68 -4.368 21.966 11.768 1.00 3.09 H new ATOM 1097 N ALA A 69 0.674 15.871 11.092 1.00 1.16 N ATOM 1098 CA ALA A 69 1.031 14.853 10.107 1.00 1.05 C ATOM 1099 C ALA A 69 -0.165 13.955 9.739 1.00 1.13 C ATOM 1100 O ALA A 69 -0.440 13.802 8.551 1.00 1.26 O ATOM 1101 CB ALA A 69 2.237 14.066 10.616 1.00 1.11 C ATOM 0 H ALA A 69 1.020 15.672 12.031 1.00 1.16 H new ATOM 0 HA ALA A 69 1.312 15.341 9.173 1.00 1.05 H new ATOM 0 HB1 ALA A 69 2.509 13.304 9.885 1.00 1.11 H new ATOM 0 HB2 ALA A 69 3.078 14.744 10.764 1.00 1.11 H new ATOM 0 HB3 ALA A 69 1.986 13.588 11.563 1.00 1.11 H new ATOM 1107 N GLN A 70 -0.884 13.370 10.712 1.00 0.94 N ATOM 1108 CA GLN A 70 -1.902 12.340 10.431 1.00 0.97 C ATOM 1109 C GLN A 70 -2.943 12.778 9.384 1.00 1.09 C ATOM 1110 O GLN A 70 -3.237 12.015 8.468 1.00 1.36 O ATOM 1111 CB GLN A 70 -2.545 11.827 11.732 1.00 1.13 C ATOM 1112 CG GLN A 70 -3.515 12.806 12.400 1.00 1.90 C ATOM 1113 CD GLN A 70 -4.110 12.249 13.691 1.00 2.20 C ATOM 1114 OE1 GLN A 70 -3.637 12.495 14.783 1.00 2.74 O ATOM 1115 NE2 GLN A 70 -5.180 11.487 13.619 1.00 3.20 N ATOM 0 H GLN A 70 -0.780 13.592 11.702 1.00 0.94 H new ATOM 0 HA GLN A 70 -1.380 11.501 9.971 1.00 0.97 H new ATOM 0 HB2 GLN A 70 -3.077 10.901 11.517 1.00 1.13 H new ATOM 0 HB3 GLN A 70 -1.753 11.582 12.440 1.00 1.13 H new ATOM 0 HG2 GLN A 70 -2.994 13.738 12.617 1.00 1.90 H new ATOM 0 HG3 GLN A 70 -4.321 13.045 11.706 1.00 1.90 H new ATOM 0 HE21 GLN A 70 -5.591 11.270 12.711 1.00 3.20 H new ATOM 0 HE22 GLN A 70 -5.598 11.114 14.471 1.00 3.20 H new ATOM 1124 N GLU A 71 -3.378 14.047 9.426 1.00 1.10 N ATOM 1125 CA GLU A 71 -4.333 14.701 8.506 1.00 1.24 C ATOM 1126 C GLU A 71 -4.050 14.427 7.026 1.00 1.42 C ATOM 1127 O GLU A 71 -4.964 14.357 6.196 1.00 1.74 O ATOM 1128 CB GLU A 71 -4.272 16.237 8.676 1.00 1.36 C ATOM 1129 CG GLU A 71 -4.107 16.699 10.121 1.00 1.76 C ATOM 1130 CD GLU A 71 -4.168 18.215 10.257 1.00 2.28 C ATOM 1131 OE1 GLU A 71 -3.166 18.877 9.923 1.00 2.62 O ATOM 1132 OE2 GLU A 71 -5.163 18.769 10.771 1.00 3.33 O ATOM 0 H GLU A 71 -3.053 14.689 10.149 1.00 1.10 H new ATOM 0 HA GLU A 71 -5.306 14.285 8.768 1.00 1.24 H new ATOM 0 HB2 GLU A 71 -3.442 16.624 8.085 1.00 1.36 H new ATOM 0 HB3 GLU A 71 -5.184 16.673 8.268 1.00 1.36 H new ATOM 0 HG2 GLU A 71 -4.888 16.250 10.734 1.00 1.76 H new ATOM 0 HG3 GLU A 71 -3.153 16.340 10.507 1.00 1.76 H new ATOM 1139 N ARG A 72 -2.759 14.308 6.703 1.00 1.05 N ATOM 1140 CA ARG A 72 -2.260 14.061 5.360 1.00 1.09 C ATOM 1141 C ARG A 72 -1.599 12.690 5.153 1.00 1.21 C ATOM 1142 O ARG A 72 -1.183 12.448 4.021 1.00 1.48 O ATOM 1143 CB ARG A 72 -1.511 15.293 4.807 1.00 1.71 C ATOM 1144 CG ARG A 72 -0.487 16.001 5.701 1.00 1.37 C ATOM 1145 CD ARG A 72 0.814 15.210 5.873 1.00 1.64 C ATOM 1146 NE ARG A 72 2.016 16.038 5.658 1.00 2.28 N ATOM 1147 CZ ARG A 72 2.428 17.110 6.330 1.00 2.72 C ATOM 1148 NH1 ARG A 72 1.764 17.619 7.352 1.00 3.22 N ATOM 1149 NH2 ARG A 72 3.547 17.703 5.972 1.00 3.64 N ATOM 0 H ARG A 72 -2.014 14.384 7.396 1.00 1.05 H new ATOM 0 HA ARG A 72 -3.126 13.947 4.708 1.00 1.09 H new ATOM 0 HB2 ARG A 72 -0.996 14.985 3.897 1.00 1.71 H new ATOM 0 HB3 ARG A 72 -2.259 16.030 4.516 1.00 1.71 H new ATOM 0 HG2 ARG A 72 -0.257 16.978 5.276 1.00 1.37 H new ATOM 0 HG3 ARG A 72 -0.930 16.176 6.681 1.00 1.37 H new ATOM 0 HD2 ARG A 72 0.846 14.784 6.876 1.00 1.64 H new ATOM 0 HD3 ARG A 72 0.822 14.375 5.172 1.00 1.64 H new ATOM 0 HE ARG A 72 2.616 15.748 4.886 1.00 2.28 H new ATOM 0 HH11 ARG A 72 0.892 17.188 7.659 1.00 3.22 H new ATOM 0 HH12 ARG A 72 2.123 18.443 7.834 1.00 3.22 H new ATOM 0 HH21 ARG A 72 4.088 17.340 5.187 1.00 3.64 H new ATOM 0 HH22 ARG A 72 3.873 18.526 6.479 1.00 3.64 H new ATOM 1163 N VAL A 73 -1.577 11.778 6.130 1.00 0.77 N ATOM 1164 CA VAL A 73 -1.075 10.394 5.962 1.00 0.80 C ATOM 1165 C VAL A 73 -2.233 9.390 6.023 1.00 1.06 C ATOM 1166 O VAL A 73 -2.881 9.263 7.062 1.00 1.40 O ATOM 1167 CB VAL A 73 -0.006 10.035 7.026 1.00 1.02 C ATOM 1168 CG1 VAL A 73 0.498 8.589 6.852 1.00 1.36 C ATOM 1169 CG2 VAL A 73 1.209 10.978 6.941 1.00 2.17 C ATOM 0 H VAL A 73 -1.909 11.974 7.074 1.00 0.77 H new ATOM 0 HA VAL A 73 -0.603 10.338 4.981 1.00 0.80 H new ATOM 0 HB VAL A 73 -0.490 10.142 7.997 1.00 1.02 H new ATOM 0 HG11 VAL A 73 1.246 8.370 7.614 1.00 1.36 H new ATOM 0 HG12 VAL A 73 -0.338 7.897 6.955 1.00 1.36 H new ATOM 0 HG13 VAL A 73 0.943 8.475 5.863 1.00 1.36 H new ATOM 0 HG21 VAL A 73 1.940 10.699 7.700 1.00 2.17 H new ATOM 0 HG22 VAL A 73 1.663 10.898 5.953 1.00 2.17 H new ATOM 0 HG23 VAL A 73 0.885 12.005 7.109 1.00 2.17 H new ATOM 1179 N GLN A 74 -2.497 8.657 4.930 1.00 0.69 N ATOM 1180 CA GLN A 74 -3.551 7.636 4.880 1.00 0.72 C ATOM 1181 C GLN A 74 -3.082 6.405 4.099 1.00 0.97 C ATOM 1182 O GLN A 74 -2.249 6.516 3.200 1.00 1.21 O ATOM 1183 CB GLN A 74 -4.838 8.220 4.267 1.00 1.02 C ATOM 1184 CG GLN A 74 -5.559 9.198 5.215 1.00 1.86 C ATOM 1185 CD GLN A 74 -6.789 9.836 4.581 1.00 2.18 C ATOM 1186 OE1 GLN A 74 -6.836 11.035 4.345 1.00 3.02 O ATOM 1187 NE2 GLN A 74 -7.814 9.074 4.251 1.00 2.78 N ATOM 0 H GLN A 74 -1.983 8.757 4.055 1.00 0.69 H new ATOM 0 HA GLN A 74 -3.771 7.320 5.900 1.00 0.72 H new ATOM 0 HB2 GLN A 74 -4.592 8.736 3.339 1.00 1.02 H new ATOM 0 HB3 GLN A 74 -5.515 7.405 4.009 1.00 1.02 H new ATOM 0 HG2 GLN A 74 -5.856 8.667 6.120 1.00 1.86 H new ATOM 0 HG3 GLN A 74 -4.864 9.981 5.518 1.00 1.86 H new ATOM 0 HE21 GLN A 74 -7.787 8.072 4.442 1.00 2.78 H new ATOM 0 HE22 GLN A 74 -8.633 9.486 3.804 1.00 2.78 H new ATOM 1196 N VAL A 75 -3.624 5.226 4.428 1.00 0.68 N ATOM 1197 CA VAL A 75 -3.171 3.940 3.880 1.00 0.69 C ATOM 1198 C VAL A 75 -4.320 3.288 3.132 1.00 0.89 C ATOM 1199 O VAL A 75 -5.417 3.122 3.677 1.00 1.15 O ATOM 1200 CB VAL A 75 -2.668 2.979 4.975 1.00 0.76 C ATOM 1201 CG1 VAL A 75 -2.080 1.690 4.371 1.00 0.89 C ATOM 1202 CG2 VAL A 75 -1.631 3.663 5.878 1.00 1.00 C ATOM 0 H VAL A 75 -4.396 5.136 5.088 1.00 0.68 H new ATOM 0 HA VAL A 75 -2.334 4.141 3.211 1.00 0.69 H new ATOM 0 HB VAL A 75 -3.531 2.705 5.583 1.00 0.76 H new ATOM 0 HG11 VAL A 75 -1.736 1.037 5.173 1.00 0.89 H new ATOM 0 HG12 VAL A 75 -2.847 1.178 3.790 1.00 0.89 H new ATOM 0 HG13 VAL A 75 -1.241 1.942 3.723 1.00 0.89 H new ATOM 0 HG21 VAL A 75 -1.294 2.961 6.641 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -0.780 3.982 5.277 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -2.083 4.531 6.358 1.00 1.00 H new ATOM 1212 N ILE A 76 -4.049 2.926 1.879 1.00 0.80 N ATOM 1213 CA ILE A 76 -4.986 2.231 1.004 1.00 0.83 C ATOM 1214 C ILE A 76 -4.401 0.845 0.704 1.00 0.92 C ATOM 1215 O ILE A 76 -3.323 0.710 0.116 1.00 1.14 O ATOM 1216 CB ILE A 76 -5.250 3.063 -0.274 1.00 0.94 C ATOM 1217 CG1 ILE A 76 -6.106 4.341 -0.065 1.00 1.24 C ATOM 1218 CG2 ILE A 76 -6.016 2.218 -1.305 1.00 0.90 C ATOM 1219 CD1 ILE A 76 -5.553 5.416 0.880 1.00 1.66 C ATOM 0 H ILE A 76 -3.150 3.113 1.435 1.00 0.80 H new ATOM 0 HA ILE A 76 -5.957 2.105 1.483 1.00 0.83 H new ATOM 0 HB ILE A 76 -4.254 3.362 -0.602 1.00 0.94 H new ATOM 0 HG12 ILE A 76 -6.268 4.801 -1.040 1.00 1.24 H new ATOM 0 HG13 ILE A 76 -7.083 4.034 0.309 1.00 1.24 H new ATOM 0 HG21 ILE A 76 -6.197 2.813 -2.201 1.00 0.90 H new ATOM 0 HG22 ILE A 76 -5.426 1.339 -1.566 1.00 0.90 H new ATOM 0 HG23 ILE A 76 -6.969 1.902 -0.881 1.00 0.90 H new ATOM 0 HD11 ILE A 76 -6.253 6.250 0.931 1.00 1.66 H new ATOM 0 HD12 ILE A 76 -5.420 4.992 1.875 1.00 1.66 H new ATOM 0 HD13 ILE A 76 -4.593 5.770 0.506 1.00 1.66 H new ATOM 1231 N PHE A 77 -5.140 -0.197 1.090 1.00 0.73 N ATOM 1232 CA PHE A 77 -4.757 -1.593 0.886 1.00 0.66 C ATOM 1233 C PHE A 77 -5.442 -2.124 -0.376 1.00 1.47 C ATOM 1234 O PHE A 77 -6.666 -2.099 -0.473 1.00 1.86 O ATOM 1235 CB PHE A 77 -5.164 -2.404 2.128 1.00 0.70 C ATOM 1236 CG PHE A 77 -4.811 -3.879 2.058 1.00 0.76 C ATOM 1237 CD1 PHE A 77 -5.691 -4.796 1.449 1.00 2.14 C ATOM 1238 CD2 PHE A 77 -3.599 -4.335 2.600 1.00 2.09 C ATOM 1239 CE1 PHE A 77 -5.356 -6.160 1.389 1.00 1.90 C ATOM 1240 CE2 PHE A 77 -3.257 -5.698 2.539 1.00 2.24 C ATOM 1241 CZ PHE A 77 -4.143 -6.612 1.940 1.00 1.00 C ATOM 0 H PHE A 77 -6.038 -0.091 1.562 1.00 0.73 H new ATOM 0 HA PHE A 77 -3.679 -1.682 0.750 1.00 0.66 H new ATOM 0 HB2 PHE A 77 -4.683 -1.969 3.004 1.00 0.70 H new ATOM 0 HB3 PHE A 77 -6.240 -2.307 2.274 1.00 0.70 H new ATOM 0 HD1 PHE A 77 -6.624 -4.451 1.028 1.00 2.14 H new ATOM 0 HD2 PHE A 77 -2.924 -3.634 3.068 1.00 2.09 H new ATOM 0 HE1 PHE A 77 -6.030 -6.861 0.920 1.00 1.90 H new ATOM 0 HE2 PHE A 77 -2.319 -6.041 2.950 1.00 2.24 H new ATOM 0 HZ PHE A 77 -3.892 -7.662 1.903 1.00 1.00 H new ATOM 1251 N VAL A 78 -4.661 -2.614 -1.339 1.00 0.51 N ATOM 1252 CA VAL A 78 -5.136 -3.141 -2.627 1.00 0.47 C ATOM 1253 C VAL A 78 -5.026 -4.668 -2.652 1.00 0.77 C ATOM 1254 O VAL A 78 -3.992 -5.233 -2.294 1.00 1.05 O ATOM 1255 CB VAL A 78 -4.351 -2.510 -3.800 1.00 0.51 C ATOM 1256 CG1 VAL A 78 -4.728 -3.109 -5.168 1.00 0.93 C ATOM 1257 CG2 VAL A 78 -4.635 -0.998 -3.847 1.00 1.08 C ATOM 0 H VAL A 78 -3.646 -2.658 -1.245 1.00 0.51 H new ATOM 0 HA VAL A 78 -6.186 -2.873 -2.744 1.00 0.47 H new ATOM 0 HB VAL A 78 -3.296 -2.719 -3.620 1.00 0.51 H new ATOM 0 HG11 VAL A 78 -4.144 -2.625 -5.951 1.00 0.93 H new ATOM 0 HG12 VAL A 78 -4.518 -4.179 -5.167 1.00 0.93 H new ATOM 0 HG13 VAL A 78 -5.790 -2.948 -5.356 1.00 0.93 H new ATOM 0 HG21 VAL A 78 -4.083 -0.550 -4.673 1.00 1.08 H new ATOM 0 HG22 VAL A 78 -5.703 -0.833 -3.992 1.00 1.08 H new ATOM 0 HG23 VAL A 78 -4.321 -0.539 -2.909 1.00 1.08 H new ATOM 1267 N SER A 79 -6.106 -5.310 -3.095 1.00 0.53 N ATOM 1268 CA SER A 79 -6.288 -6.764 -3.110 1.00 0.61 C ATOM 1269 C SER A 79 -5.830 -7.399 -4.427 1.00 0.75 C ATOM 1270 O SER A 79 -6.286 -7.005 -5.501 1.00 1.25 O ATOM 1271 CB SER A 79 -7.762 -7.107 -2.899 1.00 0.99 C ATOM 1272 OG SER A 79 -8.263 -6.448 -1.753 1.00 2.47 O ATOM 0 H SER A 79 -6.913 -4.812 -3.470 1.00 0.53 H new ATOM 0 HA SER A 79 -5.674 -7.165 -2.303 1.00 0.61 H new ATOM 0 HB2 SER A 79 -8.339 -6.814 -3.776 1.00 0.99 H new ATOM 0 HB3 SER A 79 -7.878 -8.185 -2.786 1.00 0.99 H new ATOM 0 HG SER A 79 -8.376 -5.494 -1.947 1.00 2.47 H new ATOM 1278 N VAL A 80 -4.958 -8.409 -4.341 1.00 0.62 N ATOM 1279 CA VAL A 80 -4.217 -8.941 -5.515 1.00 0.68 C ATOM 1280 C VAL A 80 -4.802 -10.254 -6.079 1.00 1.21 C ATOM 1281 O VAL A 80 -4.571 -10.568 -7.247 1.00 1.33 O ATOM 1282 CB VAL A 80 -2.707 -9.079 -5.190 1.00 0.79 C ATOM 1283 CG1 VAL A 80 -1.857 -9.647 -6.345 1.00 1.82 C ATOM 1284 CG2 VAL A 80 -2.117 -7.701 -4.846 1.00 2.09 C ATOM 0 H VAL A 80 -4.739 -8.886 -3.466 1.00 0.62 H new ATOM 0 HA VAL A 80 -4.338 -8.209 -6.313 1.00 0.68 H new ATOM 0 HB VAL A 80 -2.663 -9.779 -4.356 1.00 0.79 H new ATOM 0 HG11 VAL A 80 -0.815 -9.710 -6.033 1.00 1.82 H new ATOM 0 HG12 VAL A 80 -2.218 -10.641 -6.607 1.00 1.82 H new ATOM 0 HG13 VAL A 80 -1.937 -8.991 -7.212 1.00 1.82 H new ATOM 0 HG21 VAL A 80 -1.056 -7.806 -4.619 1.00 2.09 H new ATOM 0 HG22 VAL A 80 -2.242 -7.030 -5.696 1.00 2.09 H new ATOM 0 HG23 VAL A 80 -2.635 -7.290 -3.979 1.00 2.09 H new ATOM 1294 N ASP A 81 -5.607 -10.981 -5.294 1.00 0.96 N ATOM 1295 CA ASP A 81 -6.392 -12.140 -5.741 1.00 1.06 C ATOM 1296 C ASP A 81 -7.892 -11.782 -5.659 1.00 1.14 C ATOM 1297 O ASP A 81 -8.548 -12.112 -4.667 1.00 1.34 O ATOM 1298 CB ASP A 81 -6.025 -13.381 -4.900 1.00 1.22 C ATOM 1299 CG ASP A 81 -6.527 -14.678 -5.547 1.00 1.78 C ATOM 1300 OD1 ASP A 81 -7.750 -14.851 -5.735 1.00 2.58 O ATOM 1301 OD2 ASP A 81 -5.683 -15.496 -5.974 1.00 2.62 O ATOM 0 H ASP A 81 -5.734 -10.774 -4.303 1.00 0.96 H new ATOM 0 HA ASP A 81 -6.163 -12.389 -6.777 1.00 1.06 H new ATOM 0 HB2 ASP A 81 -4.943 -13.431 -4.779 1.00 1.22 H new ATOM 0 HB3 ASP A 81 -6.453 -13.283 -3.902 1.00 1.22 H new ATOM 1306 N PRO A 82 -8.450 -11.050 -6.644 1.00 1.02 N ATOM 1307 CA PRO A 82 -9.795 -10.492 -6.539 1.00 1.20 C ATOM 1308 C PRO A 82 -10.892 -11.564 -6.520 1.00 1.40 C ATOM 1309 O PRO A 82 -11.955 -11.311 -5.959 1.00 1.82 O ATOM 1310 CB PRO A 82 -9.933 -9.521 -7.716 1.00 1.37 C ATOM 1311 CG PRO A 82 -8.938 -10.049 -8.744 1.00 1.34 C ATOM 1312 CD PRO A 82 -7.814 -10.607 -7.875 1.00 1.15 C ATOM 0 HA PRO A 82 -9.928 -9.978 -5.587 1.00 1.20 H new ATOM 0 HB2 PRO A 82 -10.949 -9.513 -8.111 1.00 1.37 H new ATOM 0 HB3 PRO A 82 -9.698 -8.499 -7.420 1.00 1.37 H new ATOM 0 HG2 PRO A 82 -9.380 -10.819 -9.376 1.00 1.34 H new ATOM 0 HG3 PRO A 82 -8.583 -9.259 -9.406 1.00 1.34 H new ATOM 0 HD2 PRO A 82 -7.308 -11.434 -8.373 1.00 1.15 H new ATOM 0 HD3 PRO A 82 -7.060 -9.846 -7.674 1.00 1.15 H new ATOM 1320 N GLU A 83 -10.650 -12.776 -7.040 1.00 1.00 N ATOM 1321 CA GLU A 83 -11.611 -13.880 -6.919 1.00 1.15 C ATOM 1322 C GLU A 83 -11.654 -14.504 -5.509 1.00 1.39 C ATOM 1323 O GLU A 83 -12.527 -15.336 -5.246 1.00 1.79 O ATOM 1324 CB GLU A 83 -11.361 -14.985 -7.961 1.00 1.22 C ATOM 1325 CG GLU A 83 -11.012 -14.491 -9.371 1.00 1.70 C ATOM 1326 CD GLU A 83 -9.500 -14.511 -9.538 1.00 2.37 C ATOM 1327 OE1 GLU A 83 -8.815 -13.582 -9.044 1.00 3.67 O ATOM 1328 OE2 GLU A 83 -8.991 -15.551 -10.013 1.00 2.42 O ATOM 0 H GLU A 83 -9.798 -13.016 -7.547 1.00 1.00 H new ATOM 0 HA GLU A 83 -12.582 -13.424 -7.110 1.00 1.15 H new ATOM 0 HB2 GLU A 83 -10.549 -15.620 -7.605 1.00 1.22 H new ATOM 0 HB3 GLU A 83 -12.251 -15.611 -8.023 1.00 1.22 H new ATOM 0 HG2 GLU A 83 -11.483 -15.127 -10.121 1.00 1.70 H new ATOM 0 HG3 GLU A 83 -11.395 -13.482 -9.523 1.00 1.70 H new ATOM 1335 N ARG A 84 -10.720 -14.164 -4.608 1.00 1.08 N ATOM 1336 CA ARG A 84 -10.727 -14.600 -3.199 1.00 1.17 C ATOM 1337 C ARG A 84 -10.803 -13.432 -2.207 1.00 1.29 C ATOM 1338 O ARG A 84 -11.211 -13.655 -1.064 1.00 1.55 O ATOM 1339 CB ARG A 84 -9.489 -15.466 -2.884 1.00 1.47 C ATOM 1340 CG ARG A 84 -9.664 -16.944 -3.269 1.00 1.79 C ATOM 1341 CD ARG A 84 -9.440 -17.246 -4.756 1.00 2.63 C ATOM 1342 NE ARG A 84 -9.917 -18.595 -5.123 1.00 3.30 N ATOM 1343 CZ ARG A 84 -11.163 -18.929 -5.446 1.00 4.08 C ATOM 1344 NH1 ARG A 84 -12.163 -18.072 -5.400 1.00 4.63 N ATOM 1345 NH2 ARG A 84 -11.434 -20.157 -5.829 1.00 5.11 N ATOM 0 H ARG A 84 -9.925 -13.569 -4.839 1.00 1.08 H new ATOM 0 HA ARG A 84 -11.633 -15.193 -3.074 1.00 1.17 H new ATOM 0 HB2 ARG A 84 -8.627 -15.060 -3.413 1.00 1.47 H new ATOM 0 HB3 ARG A 84 -9.270 -15.399 -1.818 1.00 1.47 H new ATOM 0 HG2 ARG A 84 -8.969 -17.544 -2.681 1.00 1.79 H new ATOM 0 HG3 ARG A 84 -10.670 -17.261 -2.995 1.00 1.79 H new ATOM 0 HD2 ARG A 84 -9.959 -16.501 -5.360 1.00 2.63 H new ATOM 0 HD3 ARG A 84 -8.378 -17.161 -4.988 1.00 2.63 H new ATOM 0 HE ARG A 84 -9.223 -19.343 -5.129 1.00 3.30 H new ATOM 0 HH11 ARG A 84 -11.996 -17.109 -5.108 1.00 4.63 H new ATOM 0 HH12 ARG A 84 -13.104 -18.372 -5.657 1.00 4.63 H new ATOM 0 HH21 ARG A 84 -10.689 -20.852 -5.878 1.00 5.11 H new ATOM 0 HH22 ARG A 84 -12.389 -20.415 -6.077 1.00 5.11 H new ATOM 1359 N ASP A 85 -10.449 -12.216 -2.604 1.00 0.80 N ATOM 1360 CA ASP A 85 -10.405 -11.027 -1.749 1.00 0.76 C ATOM 1361 C ASP A 85 -11.352 -9.934 -2.280 1.00 0.97 C ATOM 1362 O ASP A 85 -10.899 -9.035 -2.984 1.00 1.21 O ATOM 1363 CB ASP A 85 -8.936 -10.571 -1.601 1.00 0.92 C ATOM 1364 CG ASP A 85 -8.282 -11.321 -0.444 1.00 1.37 C ATOM 1365 OD1 ASP A 85 -8.068 -12.550 -0.543 1.00 2.52 O ATOM 1366 OD2 ASP A 85 -7.999 -10.667 0.582 1.00 2.08 O ATOM 0 H ASP A 85 -10.173 -12.019 -3.566 1.00 0.80 H new ATOM 0 HA ASP A 85 -10.772 -11.259 -0.749 1.00 0.76 H new ATOM 0 HB2 ASP A 85 -8.391 -10.761 -2.525 1.00 0.92 H new ATOM 0 HB3 ASP A 85 -8.894 -9.497 -1.421 1.00 0.92 H new ATOM 1371 N PRO A 86 -12.666 -9.999 -1.969 1.00 0.61 N ATOM 1372 CA PRO A 86 -13.633 -8.948 -2.283 1.00 0.77 C ATOM 1373 C PRO A 86 -13.506 -7.763 -1.302 1.00 0.92 C ATOM 1374 O PRO A 86 -12.962 -7.928 -0.202 1.00 0.72 O ATOM 1375 CB PRO A 86 -14.999 -9.639 -2.213 1.00 0.84 C ATOM 1376 CG PRO A 86 -14.798 -10.686 -1.124 1.00 0.80 C ATOM 1377 CD PRO A 86 -13.349 -11.126 -1.342 1.00 0.63 C ATOM 0 HA PRO A 86 -13.471 -8.507 -3.266 1.00 0.77 H new ATOM 0 HB2 PRO A 86 -15.793 -8.938 -1.957 1.00 0.84 H new ATOM 0 HB3 PRO A 86 -15.270 -10.094 -3.165 1.00 0.84 H new ATOM 0 HG2 PRO A 86 -14.949 -10.269 -0.128 1.00 0.80 H new ATOM 0 HG3 PRO A 86 -15.494 -11.518 -1.229 1.00 0.80 H new ATOM 0 HD2 PRO A 86 -12.876 -11.389 -0.396 1.00 0.63 H new ATOM 0 HD3 PRO A 86 -13.303 -12.010 -1.978 1.00 0.63 H new ATOM 1385 N PRO A 87 -13.975 -6.557 -1.676 1.00 0.56 N ATOM 1386 CA PRO A 87 -13.557 -5.309 -1.040 1.00 0.68 C ATOM 1387 C PRO A 87 -13.973 -5.169 0.431 1.00 0.96 C ATOM 1388 O PRO A 87 -13.282 -4.486 1.181 1.00 0.85 O ATOM 1389 CB PRO A 87 -14.150 -4.193 -1.904 1.00 0.75 C ATOM 1390 CG PRO A 87 -15.320 -4.847 -2.629 1.00 0.76 C ATOM 1391 CD PRO A 87 -14.832 -6.278 -2.821 1.00 0.64 C ATOM 0 HA PRO A 87 -12.469 -5.270 -0.992 1.00 0.68 H new ATOM 0 HB2 PRO A 87 -14.482 -3.353 -1.294 1.00 0.75 H new ATOM 0 HB3 PRO A 87 -13.415 -3.804 -2.608 1.00 0.75 H new ATOM 0 HG2 PRO A 87 -16.236 -4.806 -2.040 1.00 0.76 H new ATOM 0 HG3 PRO A 87 -15.531 -4.359 -3.581 1.00 0.76 H new ATOM 0 HD2 PRO A 87 -15.669 -6.975 -2.863 1.00 0.64 H new ATOM 0 HD3 PRO A 87 -14.283 -6.383 -3.757 1.00 0.64 H new ATOM 1399 N GLU A 88 -15.054 -5.821 0.878 1.00 0.55 N ATOM 1400 CA GLU A 88 -15.467 -5.822 2.288 1.00 0.61 C ATOM 1401 C GLU A 88 -14.515 -6.663 3.154 1.00 0.96 C ATOM 1402 O GLU A 88 -14.274 -6.336 4.318 1.00 1.18 O ATOM 1403 CB GLU A 88 -16.907 -6.352 2.473 1.00 0.82 C ATOM 1404 CG GLU A 88 -17.911 -6.113 1.331 1.00 1.34 C ATOM 1405 CD GLU A 88 -17.912 -7.252 0.308 1.00 3.10 C ATOM 1406 OE1 GLU A 88 -16.800 -7.715 -0.036 1.00 4.35 O ATOM 1407 OE2 GLU A 88 -19.024 -7.661 -0.087 1.00 3.98 O ATOM 0 H GLU A 88 -15.668 -6.364 0.271 1.00 0.55 H new ATOM 0 HA GLU A 88 -15.430 -4.782 2.612 1.00 0.61 H new ATOM 0 HB2 GLU A 88 -16.849 -7.426 2.649 1.00 0.82 H new ATOM 0 HB3 GLU A 88 -17.316 -5.903 3.378 1.00 0.82 H new ATOM 0 HG2 GLU A 88 -18.912 -6.002 1.748 1.00 1.34 H new ATOM 0 HG3 GLU A 88 -17.669 -5.177 0.828 1.00 1.34 H new ATOM 1414 N VAL A 89 -13.987 -7.757 2.587 1.00 0.54 N ATOM 1415 CA VAL A 89 -12.967 -8.606 3.226 1.00 0.54 C ATOM 1416 C VAL A 89 -11.589 -7.933 3.263 1.00 0.85 C ATOM 1417 O VAL A 89 -10.828 -8.148 4.206 1.00 0.75 O ATOM 1418 CB VAL A 89 -12.927 -10.029 2.605 1.00 0.59 C ATOM 1419 CG1 VAL A 89 -11.585 -10.460 1.982 1.00 1.70 C ATOM 1420 CG2 VAL A 89 -13.328 -11.054 3.679 1.00 1.51 C ATOM 0 H VAL A 89 -14.259 -8.083 1.659 1.00 0.54 H new ATOM 0 HA VAL A 89 -13.265 -8.733 4.267 1.00 0.54 H new ATOM 0 HB VAL A 89 -13.629 -9.993 1.772 1.00 0.59 H new ATOM 0 HG11 VAL A 89 -11.677 -11.469 1.581 1.00 1.70 H new ATOM 0 HG12 VAL A 89 -11.320 -9.773 1.178 1.00 1.70 H new ATOM 0 HG13 VAL A 89 -10.807 -10.443 2.745 1.00 1.70 H new ATOM 0 HG21 VAL A 89 -13.303 -12.057 3.252 1.00 1.51 H new ATOM 0 HG22 VAL A 89 -12.630 -10.998 4.514 1.00 1.51 H new ATOM 0 HG23 VAL A 89 -14.336 -10.835 4.033 1.00 1.51 H new ATOM 1430 N ALA A 90 -11.289 -7.093 2.269 1.00 0.64 N ATOM 1431 CA ALA A 90 -10.093 -6.256 2.255 1.00 0.70 C ATOM 1432 C ALA A 90 -10.175 -5.148 3.316 1.00 0.90 C ATOM 1433 O ALA A 90 -9.259 -4.987 4.124 1.00 0.96 O ATOM 1434 CB ALA A 90 -9.947 -5.678 0.844 1.00 0.88 C ATOM 0 H ALA A 90 -11.878 -6.976 1.444 1.00 0.64 H new ATOM 0 HA ALA A 90 -9.214 -6.850 2.505 1.00 0.70 H new ATOM 0 HB1 ALA A 90 -9.060 -5.046 0.800 1.00 0.88 H new ATOM 0 HB2 ALA A 90 -9.849 -6.492 0.126 1.00 0.88 H new ATOM 0 HB3 ALA A 90 -10.828 -5.084 0.601 1.00 0.88 H new ATOM 1440 N ASP A 91 -11.288 -4.408 3.337 1.00 0.63 N ATOM 1441 CA ASP A 91 -11.499 -3.248 4.205 1.00 0.65 C ATOM 1442 C ASP A 91 -11.547 -3.639 5.679 1.00 0.96 C ATOM 1443 O ASP A 91 -10.856 -3.021 6.489 1.00 0.99 O ATOM 1444 CB ASP A 91 -12.780 -2.527 3.762 1.00 0.66 C ATOM 1445 CG ASP A 91 -13.055 -1.257 4.570 1.00 0.88 C ATOM 1446 OD1 ASP A 91 -12.165 -0.377 4.630 1.00 1.43 O ATOM 1447 OD2 ASP A 91 -14.165 -1.129 5.138 1.00 2.03 O ATOM 0 H ASP A 91 -12.087 -4.605 2.735 1.00 0.63 H new ATOM 0 HA ASP A 91 -10.652 -2.569 4.106 1.00 0.65 H new ATOM 0 HB2 ASP A 91 -12.700 -2.270 2.706 1.00 0.66 H new ATOM 0 HB3 ASP A 91 -13.627 -3.206 3.862 1.00 0.66 H new ATOM 1452 N ARG A 92 -12.289 -4.699 6.026 1.00 0.67 N ATOM 1453 CA ARG A 92 -12.338 -5.191 7.406 1.00 0.70 C ATOM 1454 C ARG A 92 -10.957 -5.624 7.922 1.00 1.13 C ATOM 1455 O ARG A 92 -10.695 -5.494 9.113 1.00 1.40 O ATOM 1456 CB ARG A 92 -13.381 -6.318 7.534 1.00 0.88 C ATOM 1457 CG ARG A 92 -12.911 -7.652 6.937 1.00 1.72 C ATOM 1458 CD ARG A 92 -14.042 -8.675 6.798 1.00 2.33 C ATOM 1459 NE ARG A 92 -14.442 -9.235 8.103 1.00 3.26 N ATOM 1460 CZ ARG A 92 -15.301 -10.231 8.286 1.00 4.33 C ATOM 1461 NH1 ARG A 92 -15.954 -10.782 7.281 1.00 4.58 N ATOM 1462 NH2 ARG A 92 -15.515 -10.697 9.501 1.00 5.67 N ATOM 0 H ARG A 92 -12.862 -5.230 5.370 1.00 0.67 H new ATOM 0 HA ARG A 92 -12.650 -4.364 8.044 1.00 0.70 H new ATOM 0 HB2 ARG A 92 -13.621 -6.464 8.587 1.00 0.88 H new ATOM 0 HB3 ARG A 92 -14.301 -6.010 7.037 1.00 0.88 H new ATOM 0 HG2 ARG A 92 -12.470 -7.470 5.957 1.00 1.72 H new ATOM 0 HG3 ARG A 92 -12.126 -8.070 7.567 1.00 1.72 H new ATOM 0 HD2 ARG A 92 -14.903 -8.202 6.327 1.00 2.33 H new ATOM 0 HD3 ARG A 92 -13.722 -9.482 6.139 1.00 2.33 H new ATOM 0 HE ARG A 92 -14.023 -8.822 8.936 1.00 3.26 H new ATOM 0 HH11 ARG A 92 -15.806 -10.444 6.330 1.00 4.58 H new ATOM 0 HH12 ARG A 92 -16.607 -11.546 7.455 1.00 4.58 H new ATOM 0 HH21 ARG A 92 -15.021 -10.292 10.297 1.00 5.67 H new ATOM 0 HH22 ARG A 92 -16.174 -11.462 9.645 1.00 5.67 H new ATOM 1476 N TYR A 93 -10.083 -6.156 7.061 1.00 0.67 N ATOM 1477 CA TYR A 93 -8.732 -6.573 7.442 1.00 0.68 C ATOM 1478 C TYR A 93 -7.777 -5.388 7.652 1.00 1.05 C ATOM 1479 O TYR A 93 -7.116 -5.324 8.686 1.00 1.23 O ATOM 1480 CB TYR A 93 -8.200 -7.590 6.423 1.00 0.72 C ATOM 1481 CG TYR A 93 -7.160 -8.533 6.997 1.00 0.99 C ATOM 1482 CD1 TYR A 93 -5.882 -8.058 7.350 1.00 1.81 C ATOM 1483 CD2 TYR A 93 -7.483 -9.892 7.195 1.00 2.09 C ATOM 1484 CE1 TYR A 93 -4.922 -8.939 7.881 1.00 1.92 C ATOM 1485 CE2 TYR A 93 -6.521 -10.782 7.704 1.00 2.41 C ATOM 1486 CZ TYR A 93 -5.241 -10.307 8.054 1.00 1.68 C ATOM 1487 OH TYR A 93 -4.324 -11.167 8.566 1.00 2.16 O ATOM 0 H TYR A 93 -10.295 -6.310 6.075 1.00 0.67 H new ATOM 0 HA TYR A 93 -8.788 -7.060 8.416 1.00 0.68 H new ATOM 0 HB2 TYR A 93 -9.034 -8.174 6.035 1.00 0.72 H new ATOM 0 HB3 TYR A 93 -7.767 -7.054 5.579 1.00 0.72 H new ATOM 0 HD1 TYR A 93 -5.638 -7.015 7.213 1.00 1.81 H new ATOM 0 HD2 TYR A 93 -8.473 -10.250 6.955 1.00 2.09 H new ATOM 0 HE1 TYR A 93 -3.944 -8.572 8.156 1.00 1.92 H new ATOM 0 HE2 TYR A 93 -6.762 -11.828 7.827 1.00 2.41 H new ATOM 0 HH TYR A 93 -4.711 -12.066 8.617 1.00 2.16 H new ATOM 1497 N ALA A 94 -7.713 -4.434 6.713 1.00 0.59 N ATOM 1498 CA ALA A 94 -6.916 -3.210 6.866 1.00 0.60 C ATOM 1499 C ALA A 94 -7.367 -2.399 8.093 1.00 0.81 C ATOM 1500 O ALA A 94 -6.565 -2.022 8.945 1.00 0.87 O ATOM 1501 CB ALA A 94 -7.040 -2.404 5.566 1.00 0.67 C ATOM 0 H ALA A 94 -8.213 -4.490 5.826 1.00 0.59 H new ATOM 0 HA ALA A 94 -5.870 -3.460 7.041 1.00 0.60 H new ATOM 0 HB1 ALA A 94 -6.457 -1.487 5.650 1.00 0.67 H new ATOM 0 HB2 ALA A 94 -6.665 -2.998 4.733 1.00 0.67 H new ATOM 0 HB3 ALA A 94 -8.086 -2.154 5.391 1.00 0.67 H new ATOM 1507 N LYS A 95 -8.673 -2.178 8.207 1.00 0.62 N ATOM 1508 CA LYS A 95 -9.291 -1.395 9.274 1.00 0.71 C ATOM 1509 C LYS A 95 -9.256 -2.069 10.660 1.00 0.92 C ATOM 1510 O LYS A 95 -9.386 -1.367 11.664 1.00 1.13 O ATOM 1511 CB LYS A 95 -10.692 -0.996 8.789 1.00 1.00 C ATOM 1512 CG LYS A 95 -11.320 0.125 9.624 1.00 1.55 C ATOM 1513 CD LYS A 95 -12.188 1.065 8.779 1.00 1.48 C ATOM 1514 CE LYS A 95 -13.225 0.331 7.922 1.00 1.75 C ATOM 1515 NZ LYS A 95 -13.434 1.008 6.624 1.00 1.73 N ATOM 0 H LYS A 95 -9.351 -2.549 7.541 1.00 0.62 H new ATOM 0 HA LYS A 95 -8.703 -0.496 9.460 1.00 0.71 H new ATOM 0 HB2 LYS A 95 -10.633 -0.676 7.749 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -11.343 -1.870 8.817 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -11.927 -0.312 10.416 1.00 1.55 H new ATOM 0 HG3 LYS A 95 -10.531 0.700 10.108 1.00 1.55 H new ATOM 0 HD2 LYS A 95 -12.702 1.764 9.439 1.00 1.48 H new ATOM 0 HD3 LYS A 95 -11.543 1.656 8.129 1.00 1.48 H new ATOM 0 HE2 LYS A 95 -12.896 -0.694 7.750 1.00 1.75 H new ATOM 0 HE3 LYS A 95 -14.171 0.276 8.461 1.00 1.75 H new ATOM 0 HZ1 LYS A 95 -14.201 0.535 6.105 1.00 1.73 H new ATOM 0 HZ2 LYS A 95 -13.689 2.003 6.788 1.00 1.73 H new ATOM 0 HZ3 LYS A 95 -12.559 0.963 6.064 1.00 1.73 H new ATOM 1529 N ALA A 96 -9.017 -3.388 10.757 1.00 0.74 N ATOM 1530 CA ALA A 96 -8.784 -4.057 12.044 1.00 0.83 C ATOM 1531 C ALA A 96 -7.503 -3.574 12.755 1.00 1.06 C ATOM 1532 O ALA A 96 -7.446 -3.596 13.981 1.00 1.26 O ATOM 1533 CB ALA A 96 -8.741 -5.573 11.821 1.00 0.85 C ATOM 0 H ALA A 96 -8.980 -4.014 9.952 1.00 0.74 H new ATOM 0 HA ALA A 96 -9.610 -3.797 12.706 1.00 0.83 H new ATOM 0 HB1 ALA A 96 -8.568 -6.076 12.772 1.00 0.85 H new ATOM 0 HB2 ALA A 96 -9.690 -5.906 11.402 1.00 0.85 H new ATOM 0 HB3 ALA A 96 -7.934 -5.816 11.130 1.00 0.85 H new ATOM 1539 N PHE A 97 -6.498 -3.115 11.997 1.00 0.88 N ATOM 1540 CA PHE A 97 -5.249 -2.576 12.548 1.00 0.89 C ATOM 1541 C PHE A 97 -5.369 -1.141 13.068 1.00 1.99 C ATOM 1542 O PHE A 97 -4.634 -0.753 13.981 1.00 2.30 O ATOM 1543 CB PHE A 97 -4.160 -2.659 11.470 1.00 0.94 C ATOM 1544 CG PHE A 97 -3.518 -4.021 11.445 1.00 1.01 C ATOM 1545 CD1 PHE A 97 -2.437 -4.281 12.303 1.00 1.83 C ATOM 1546 CD2 PHE A 97 -4.060 -5.053 10.662 1.00 2.07 C ATOM 1547 CE1 PHE A 97 -1.896 -5.573 12.377 1.00 1.86 C ATOM 1548 CE2 PHE A 97 -3.520 -6.347 10.740 1.00 1.91 C ATOM 1549 CZ PHE A 97 -2.437 -6.607 11.598 1.00 1.16 C ATOM 0 H PHE A 97 -6.530 -3.108 10.978 1.00 0.88 H new ATOM 0 HA PHE A 97 -4.991 -3.183 13.416 1.00 0.89 H new ATOM 0 HB2 PHE A 97 -4.594 -2.441 10.494 1.00 0.94 H new ATOM 0 HB3 PHE A 97 -3.401 -1.900 11.658 1.00 0.94 H new ATOM 0 HD1 PHE A 97 -2.022 -3.486 12.906 1.00 1.83 H new ATOM 0 HD2 PHE A 97 -4.890 -4.852 10.001 1.00 2.07 H new ATOM 0 HE1 PHE A 97 -1.062 -5.772 13.034 1.00 1.86 H new ATOM 0 HE2 PHE A 97 -3.937 -7.143 10.141 1.00 1.91 H new ATOM 0 HZ PHE A 97 -2.022 -7.602 11.657 1.00 1.16 H new ATOM 1559 N HIS A 98 -6.259 -0.345 12.476 1.00 0.98 N ATOM 1560 CA HIS A 98 -6.393 1.091 12.705 1.00 0.95 C ATOM 1561 C HIS A 98 -7.635 1.639 11.955 1.00 1.31 C ATOM 1562 O HIS A 98 -7.744 1.399 10.749 1.00 1.43 O ATOM 1563 CB HIS A 98 -5.098 1.775 12.236 1.00 0.92 C ATOM 1564 CG HIS A 98 -5.231 3.267 12.116 1.00 1.64 C ATOM 1565 ND1 HIS A 98 -5.286 3.959 10.933 1.00 2.13 N ATOM 1566 CD2 HIS A 98 -5.402 4.177 13.123 1.00 2.58 C ATOM 1567 CE1 HIS A 98 -5.471 5.254 11.213 1.00 3.07 C ATOM 1568 NE2 HIS A 98 -5.608 5.428 12.534 1.00 3.38 N ATOM 0 H HIS A 98 -6.933 -0.698 11.797 1.00 0.98 H new ATOM 0 HA HIS A 98 -6.542 1.299 13.765 1.00 0.95 H new ATOM 0 HB2 HIS A 98 -4.297 1.543 12.937 1.00 0.92 H new ATOM 0 HB3 HIS A 98 -4.806 1.363 11.270 1.00 0.92 H new ATOM 0 HD1 HIS A 98 -5.201 3.556 10.000 1.00 2.13 H new ATOM 0 HD2 HIS A 98 -5.382 3.967 14.182 1.00 2.58 H new ATOM 0 HE1 HIS A 98 -5.505 6.046 10.479 1.00 3.07 H new ATOM 1577 N PRO A 99 -8.542 2.389 12.623 1.00 1.09 N ATOM 1578 CA PRO A 99 -9.868 2.720 12.095 1.00 1.35 C ATOM 1579 C PRO A 99 -9.885 3.655 10.878 1.00 1.65 C ATOM 1580 O PRO A 99 -10.814 3.573 10.081 1.00 1.78 O ATOM 1581 CB PRO A 99 -10.652 3.321 13.269 1.00 1.58 C ATOM 1582 CG PRO A 99 -9.568 3.826 14.214 1.00 1.46 C ATOM 1583 CD PRO A 99 -8.473 2.783 14.024 1.00 1.15 C ATOM 0 HA PRO A 99 -10.319 1.808 11.704 1.00 1.35 H new ATOM 0 HB2 PRO A 99 -11.305 4.130 12.941 1.00 1.58 H new ATOM 0 HB3 PRO A 99 -11.285 2.575 13.750 1.00 1.58 H new ATOM 0 HG2 PRO A 99 -9.229 4.827 13.948 1.00 1.46 H new ATOM 0 HG3 PRO A 99 -9.915 3.871 15.246 1.00 1.46 H new ATOM 0 HD2 PRO A 99 -7.494 3.195 14.267 1.00 1.15 H new ATOM 0 HD3 PRO A 99 -8.630 1.927 14.680 1.00 1.15 H new ATOM 1591 N SER A 100 -8.897 4.535 10.693 1.00 1.65 N ATOM 1592 CA SER A 100 -8.869 5.459 9.542 1.00 2.06 C ATOM 1593 C SER A 100 -8.077 4.903 8.330 1.00 1.84 C ATOM 1594 O SER A 100 -7.441 5.668 7.599 1.00 1.97 O ATOM 1595 CB SER A 100 -8.422 6.859 10.005 1.00 2.87 C ATOM 1596 OG SER A 100 -8.464 7.795 8.947 1.00 3.35 O ATOM 0 H SER A 100 -8.101 4.632 11.324 1.00 1.65 H new ATOM 0 HA SER A 100 -9.883 5.557 9.155 1.00 2.06 H new ATOM 0 HB2 SER A 100 -9.066 7.197 10.817 1.00 2.87 H new ATOM 0 HB3 SER A 100 -7.409 6.805 10.404 1.00 2.87 H new ATOM 0 HG SER A 100 -8.125 7.378 8.128 1.00 3.35 H new ATOM 1602 N PHE A 101 -8.095 3.577 8.120 1.00 1.48 N ATOM 1603 CA PHE A 101 -7.615 2.895 6.900 1.00 1.35 C ATOM 1604 C PHE A 101 -8.770 2.454 5.972 1.00 2.13 C ATOM 1605 O PHE A 101 -9.940 2.456 6.361 1.00 2.60 O ATOM 1606 CB PHE A 101 -6.763 1.666 7.285 1.00 1.26 C ATOM 1607 CG PHE A 101 -5.384 1.896 7.888 1.00 1.69 C ATOM 1608 CD1 PHE A 101 -4.802 3.177 7.993 1.00 3.33 C ATOM 1609 CD2 PHE A 101 -4.650 0.768 8.304 1.00 2.05 C ATOM 1610 CE1 PHE A 101 -3.517 3.327 8.546 1.00 3.57 C ATOM 1611 CE2 PHE A 101 -3.364 0.920 8.852 1.00 2.30 C ATOM 1612 CZ PHE A 101 -2.802 2.200 8.984 1.00 2.58 C ATOM 0 H PHE A 101 -8.456 2.925 8.817 1.00 1.48 H new ATOM 0 HA PHE A 101 -7.010 3.615 6.349 1.00 1.35 H new ATOM 0 HB2 PHE A 101 -7.340 1.072 7.994 1.00 1.26 H new ATOM 0 HB3 PHE A 101 -6.636 1.058 6.390 1.00 1.26 H new ATOM 0 HD1 PHE A 101 -5.344 4.045 7.648 1.00 3.33 H new ATOM 0 HD2 PHE A 101 -5.077 -0.219 8.202 1.00 2.05 H new ATOM 0 HE1 PHE A 101 -3.080 4.311 8.634 1.00 3.57 H new ATOM 0 HE2 PHE A 101 -2.808 0.051 9.172 1.00 2.30 H new ATOM 0 HZ PHE A 101 -1.822 2.318 9.422 1.00 2.58 H new ATOM 1622 N LEU A 102 -8.431 2.042 4.742 1.00 0.94 N ATOM 1623 CA LEU A 102 -9.383 1.572 3.722 1.00 0.82 C ATOM 1624 C LEU A 102 -8.824 0.372 2.944 1.00 0.95 C ATOM 1625 O LEU A 102 -7.652 0.389 2.561 1.00 1.21 O ATOM 1626 CB LEU A 102 -9.678 2.764 2.786 1.00 0.90 C ATOM 1627 CG LEU A 102 -10.611 2.485 1.587 1.00 1.01 C ATOM 1628 CD1 LEU A 102 -12.012 2.024 2.013 1.00 1.26 C ATOM 1629 CD2 LEU A 102 -10.742 3.766 0.749 1.00 1.93 C ATOM 0 H LEU A 102 -7.463 2.025 4.420 1.00 0.94 H new ATOM 0 HA LEU A 102 -10.302 1.225 4.193 1.00 0.82 H new ATOM 0 HB2 LEU A 102 -10.118 3.564 3.381 1.00 0.90 H new ATOM 0 HB3 LEU A 102 -8.729 3.138 2.400 1.00 0.90 H new ATOM 0 HG LEU A 102 -10.164 1.675 1.010 1.00 1.01 H new ATOM 0 HD11 LEU A 102 -12.621 1.844 1.127 1.00 1.26 H new ATOM 0 HD12 LEU A 102 -11.932 1.104 2.591 1.00 1.26 H new ATOM 0 HD13 LEU A 102 -12.479 2.797 2.623 1.00 1.26 H new ATOM 0 HD21 LEU A 102 -11.399 3.579 -0.100 1.00 1.93 H new ATOM 0 HD22 LEU A 102 -11.161 4.562 1.364 1.00 1.93 H new ATOM 0 HD23 LEU A 102 -9.759 4.067 0.388 1.00 1.93 H new ATOM 1641 N GLY A 103 -9.668 -0.626 2.657 1.00 0.62 N ATOM 1642 CA GLY A 103 -9.346 -1.737 1.746 1.00 0.55 C ATOM 1643 C GLY A 103 -10.131 -1.668 0.438 1.00 0.68 C ATOM 1644 O GLY A 103 -11.289 -1.247 0.419 1.00 0.80 O ATOM 0 H GLY A 103 -10.605 -0.688 3.054 1.00 0.62 H new ATOM 0 HA2 GLY A 103 -8.278 -1.724 1.526 1.00 0.55 H new ATOM 0 HA3 GLY A 103 -9.558 -2.683 2.243 1.00 0.55 H new ATOM 1648 N LEU A 104 -9.487 -2.095 -0.651 1.00 0.54 N ATOM 1649 CA LEU A 104 -9.983 -2.044 -2.028 1.00 0.54 C ATOM 1650 C LEU A 104 -9.779 -3.380 -2.754 1.00 1.12 C ATOM 1651 O LEU A 104 -8.702 -3.978 -2.719 1.00 1.37 O ATOM 1652 CB LEU A 104 -9.244 -0.939 -2.811 1.00 0.57 C ATOM 1653 CG LEU A 104 -9.378 0.494 -2.264 1.00 0.74 C ATOM 1654 CD1 LEU A 104 -8.607 1.452 -3.184 1.00 0.77 C ATOM 1655 CD2 LEU A 104 -10.833 0.980 -2.179 1.00 1.23 C ATOM 0 H LEU A 104 -8.556 -2.508 -0.592 1.00 0.54 H new ATOM 0 HA LEU A 104 -11.051 -1.831 -1.983 1.00 0.54 H new ATOM 0 HB2 LEU A 104 -8.185 -1.194 -2.845 1.00 0.57 H new ATOM 0 HB3 LEU A 104 -9.607 -0.948 -3.839 1.00 0.57 H new ATOM 0 HG LEU A 104 -8.975 0.483 -1.251 1.00 0.74 H new ATOM 0 HD11 LEU A 104 -8.696 2.470 -2.805 1.00 0.77 H new ATOM 0 HD12 LEU A 104 -7.556 1.165 -3.210 1.00 0.77 H new ATOM 0 HD13 LEU A 104 -9.022 1.402 -4.191 1.00 0.77 H new ATOM 0 HD21 LEU A 104 -10.855 1.996 -1.786 1.00 1.23 H new ATOM 0 HD22 LEU A 104 -11.280 0.966 -3.173 1.00 1.23 H new ATOM 0 HD23 LEU A 104 -11.398 0.323 -1.518 1.00 1.23 H new ATOM 1667 N SER A 105 -10.809 -3.830 -3.460 1.00 0.50 N ATOM 1668 CA SER A 105 -10.732 -4.851 -4.503 1.00 0.49 C ATOM 1669 C SER A 105 -11.764 -4.571 -5.594 1.00 0.81 C ATOM 1670 O SER A 105 -12.890 -4.204 -5.269 1.00 1.13 O ATOM 1671 CB SER A 105 -11.010 -6.227 -3.924 1.00 0.64 C ATOM 1672 OG SER A 105 -10.581 -7.210 -4.842 1.00 0.89 O ATOM 0 H SER A 105 -11.757 -3.482 -3.318 1.00 0.50 H new ATOM 0 HA SER A 105 -9.727 -4.824 -4.923 1.00 0.49 H new ATOM 0 HB2 SER A 105 -10.490 -6.347 -2.974 1.00 0.64 H new ATOM 0 HB3 SER A 105 -12.075 -6.341 -3.721 1.00 0.64 H new ATOM 0 HG SER A 105 -10.450 -8.061 -4.373 1.00 0.89 H new ATOM 1678 N GLY A 106 -11.406 -4.808 -6.858 1.00 0.72 N ATOM 1679 CA GLY A 106 -12.322 -4.804 -8.006 1.00 0.83 C ATOM 1680 C GLY A 106 -11.917 -5.846 -9.043 1.00 0.96 C ATOM 1681 O GLY A 106 -10.980 -6.614 -8.815 1.00 1.26 O ATOM 0 H GLY A 106 -10.442 -5.014 -7.121 1.00 0.72 H new ATOM 0 HA2 GLY A 106 -13.337 -5.004 -7.664 1.00 0.83 H new ATOM 0 HA3 GLY A 106 -12.329 -3.815 -8.465 1.00 0.83 H new ATOM 1685 N SER A 107 -12.594 -5.876 -10.191 1.00 0.99 N ATOM 1686 CA SER A 107 -12.248 -6.787 -11.290 1.00 1.32 C ATOM 1687 C SER A 107 -10.755 -6.725 -11.681 1.00 1.25 C ATOM 1688 O SER A 107 -10.158 -5.635 -11.668 1.00 1.06 O ATOM 1689 CB SER A 107 -13.094 -6.499 -12.531 1.00 1.85 C ATOM 1690 OG SER A 107 -14.471 -6.671 -12.266 1.00 3.00 O ATOM 0 H SER A 107 -13.394 -5.274 -10.388 1.00 0.99 H new ATOM 0 HA SER A 107 -12.458 -7.789 -10.916 1.00 1.32 H new ATOM 0 HB2 SER A 107 -12.911 -5.479 -12.869 1.00 1.85 H new ATOM 0 HB3 SER A 107 -12.792 -7.162 -13.341 1.00 1.85 H new ATOM 0 HG SER A 107 -14.987 -6.478 -13.077 1.00 3.00 H new ATOM 1696 N PRO A 108 -10.130 -7.868 -12.040 1.00 1.33 N ATOM 1697 CA PRO A 108 -8.690 -7.944 -12.256 1.00 1.37 C ATOM 1698 C PRO A 108 -8.179 -6.950 -13.301 1.00 1.38 C ATOM 1699 O PRO A 108 -7.047 -6.512 -13.168 1.00 1.20 O ATOM 1700 CB PRO A 108 -8.376 -9.406 -12.607 1.00 1.86 C ATOM 1701 CG PRO A 108 -9.724 -10.012 -12.988 1.00 2.12 C ATOM 1702 CD PRO A 108 -10.729 -9.188 -12.189 1.00 1.84 C ATOM 0 HA PRO A 108 -8.158 -7.648 -11.352 1.00 1.37 H new ATOM 0 HB2 PRO A 108 -7.666 -9.471 -13.431 1.00 1.86 H new ATOM 0 HB3 PRO A 108 -7.932 -9.930 -11.761 1.00 1.86 H new ATOM 0 HG2 PRO A 108 -9.908 -9.938 -14.060 1.00 2.12 H new ATOM 0 HG3 PRO A 108 -9.776 -11.069 -12.728 1.00 2.12 H new ATOM 0 HD2 PRO A 108 -11.686 -9.127 -12.708 1.00 1.84 H new ATOM 0 HD3 PRO A 108 -10.922 -9.642 -11.217 1.00 1.84 H new ATOM 1710 N GLU A 109 -9.001 -6.512 -14.262 1.00 1.13 N ATOM 1711 CA GLU A 109 -8.723 -5.403 -15.191 1.00 1.03 C ATOM 1712 C GLU A 109 -8.321 -4.107 -14.458 1.00 1.12 C ATOM 1713 O GLU A 109 -7.280 -3.516 -14.746 1.00 1.31 O ATOM 1714 CB GLU A 109 -9.943 -5.097 -16.092 1.00 1.19 C ATOM 1715 CG GLU A 109 -10.632 -6.298 -16.757 1.00 1.57 C ATOM 1716 CD GLU A 109 -11.642 -6.938 -15.807 1.00 2.47 C ATOM 1717 OE1 GLU A 109 -12.778 -6.433 -15.722 1.00 3.13 O ATOM 1718 OE2 GLU A 109 -11.234 -7.872 -15.087 1.00 3.59 O ATOM 0 H GLU A 109 -9.915 -6.935 -14.423 1.00 1.13 H new ATOM 0 HA GLU A 109 -7.885 -5.737 -15.803 1.00 1.03 H new ATOM 0 HB2 GLU A 109 -10.685 -4.569 -15.492 1.00 1.19 H new ATOM 0 HB3 GLU A 109 -9.622 -4.412 -16.877 1.00 1.19 H new ATOM 0 HG2 GLU A 109 -11.136 -5.975 -17.668 1.00 1.57 H new ATOM 0 HG3 GLU A 109 -9.885 -7.035 -17.051 1.00 1.57 H new ATOM 1725 N ALA A 110 -9.096 -3.685 -13.451 1.00 0.88 N ATOM 1726 CA ALA A 110 -8.780 -2.526 -12.611 1.00 0.82 C ATOM 1727 C ALA A 110 -7.486 -2.750 -11.808 1.00 1.02 C ATOM 1728 O ALA A 110 -6.671 -1.837 -11.637 1.00 0.97 O ATOM 1729 CB ALA A 110 -9.996 -2.274 -11.704 1.00 0.88 C ATOM 0 H ALA A 110 -9.970 -4.145 -13.195 1.00 0.88 H new ATOM 0 HA ALA A 110 -8.591 -1.645 -13.225 1.00 0.82 H new ATOM 0 HB1 ALA A 110 -9.799 -1.416 -11.061 1.00 0.88 H new ATOM 0 HB2 ALA A 110 -10.873 -2.073 -12.319 1.00 0.88 H new ATOM 0 HB3 ALA A 110 -10.179 -3.154 -11.088 1.00 0.88 H new ATOM 1735 N VAL A 111 -7.265 -3.991 -11.373 1.00 0.99 N ATOM 1736 CA VAL A 111 -6.045 -4.379 -10.648 1.00 1.00 C ATOM 1737 C VAL A 111 -4.824 -4.361 -11.594 1.00 1.32 C ATOM 1738 O VAL A 111 -3.745 -3.954 -11.165 1.00 1.20 O ATOM 1739 CB VAL A 111 -6.213 -5.723 -9.897 1.00 1.04 C ATOM 1740 CG1 VAL A 111 -4.995 -6.030 -9.008 1.00 1.45 C ATOM 1741 CG2 VAL A 111 -7.467 -5.725 -9.004 1.00 1.13 C ATOM 0 H VAL A 111 -7.923 -4.758 -11.511 1.00 0.99 H new ATOM 0 HA VAL A 111 -5.861 -3.637 -9.871 1.00 1.00 H new ATOM 0 HB VAL A 111 -6.311 -6.487 -10.668 1.00 1.04 H new ATOM 0 HG11 VAL A 111 -5.148 -6.980 -8.497 1.00 1.45 H new ATOM 0 HG12 VAL A 111 -4.099 -6.091 -9.626 1.00 1.45 H new ATOM 0 HG13 VAL A 111 -4.874 -5.237 -8.271 1.00 1.45 H new ATOM 0 HG21 VAL A 111 -7.549 -6.685 -8.494 1.00 1.13 H new ATOM 0 HG22 VAL A 111 -7.389 -4.928 -8.265 1.00 1.13 H new ATOM 0 HG23 VAL A 111 -8.352 -5.564 -9.619 1.00 1.13 H new ATOM 1751 N ARG A 112 -4.986 -4.674 -12.895 1.00 0.98 N ATOM 1752 CA ARG A 112 -3.945 -4.472 -13.909 1.00 0.97 C ATOM 1753 C ARG A 112 -3.619 -2.990 -14.076 1.00 1.06 C ATOM 1754 O ARG A 112 -2.430 -2.692 -14.062 1.00 1.18 O ATOM 1755 CB ARG A 112 -4.302 -5.051 -15.290 1.00 1.08 C ATOM 1756 CG ARG A 112 -4.430 -6.576 -15.373 1.00 1.65 C ATOM 1757 CD ARG A 112 -3.179 -7.388 -15.010 1.00 2.62 C ATOM 1758 NE ARG A 112 -2.156 -7.332 -16.070 1.00 3.21 N ATOM 1759 CZ ARG A 112 -1.067 -6.567 -16.094 1.00 4.24 C ATOM 1760 NH1 ARG A 112 -0.733 -5.770 -15.104 1.00 5.19 N ATOM 1761 NH2 ARG A 112 -0.275 -6.585 -17.139 1.00 5.17 N ATOM 0 H ARG A 112 -5.847 -5.075 -13.268 1.00 0.98 H new ATOM 0 HA ARG A 112 -3.078 -5.016 -13.534 1.00 0.97 H new ATOM 0 HB2 ARG A 112 -5.245 -4.610 -15.613 1.00 1.08 H new ATOM 0 HB3 ARG A 112 -3.541 -4.732 -16.002 1.00 1.08 H new ATOM 0 HG2 ARG A 112 -5.241 -6.887 -14.715 1.00 1.65 H new ATOM 0 HG3 ARG A 112 -4.725 -6.839 -16.389 1.00 1.65 H new ATOM 0 HD2 ARG A 112 -2.758 -7.008 -14.079 1.00 2.62 H new ATOM 0 HD3 ARG A 112 -3.460 -8.426 -14.832 1.00 2.62 H new ATOM 0 HE ARG A 112 -2.298 -7.946 -16.872 1.00 3.21 H new ATOM 0 HH11 ARG A 112 -1.319 -5.719 -14.271 1.00 5.19 H new ATOM 0 HH12 ARG A 112 0.112 -5.203 -15.169 1.00 5.19 H new ATOM 0 HH21 ARG A 112 -0.493 -7.185 -17.934 1.00 5.17 H new ATOM 0 HH22 ARG A 112 0.559 -5.999 -17.157 1.00 5.17 H new ATOM 1775 N GLU A 113 -4.608 -2.101 -14.195 1.00 0.73 N ATOM 1776 CA GLU A 113 -4.378 -0.647 -14.297 1.00 0.67 C ATOM 1777 C GLU A 113 -3.443 -0.150 -13.182 1.00 1.02 C ATOM 1778 O GLU A 113 -2.319 0.284 -13.440 1.00 1.07 O ATOM 1779 CB GLU A 113 -5.705 0.119 -14.274 1.00 0.74 C ATOM 1780 CG GLU A 113 -6.381 0.068 -15.641 1.00 1.02 C ATOM 1781 CD GLU A 113 -5.725 1.036 -16.618 1.00 1.84 C ATOM 1782 OE1 GLU A 113 -6.067 2.237 -16.540 1.00 2.89 O ATOM 1783 OE2 GLU A 113 -4.882 0.549 -17.400 1.00 2.58 O ATOM 0 H GLU A 113 -5.593 -2.363 -14.224 1.00 0.73 H new ATOM 0 HA GLU A 113 -3.890 -0.455 -15.252 1.00 0.67 H new ATOM 0 HB2 GLU A 113 -6.365 -0.310 -13.520 1.00 0.74 H new ATOM 0 HB3 GLU A 113 -5.527 1.156 -13.989 1.00 0.74 H new ATOM 0 HG2 GLU A 113 -6.327 -0.946 -16.038 1.00 1.02 H new ATOM 0 HG3 GLU A 113 -7.438 0.314 -15.536 1.00 1.02 H new ATOM 1790 N ALA A 114 -3.853 -0.324 -11.917 1.00 0.61 N ATOM 1791 CA ALA A 114 -3.061 0.078 -10.753 1.00 0.62 C ATOM 1792 C ALA A 114 -1.660 -0.556 -10.743 1.00 0.95 C ATOM 1793 O ALA A 114 -0.663 0.116 -10.490 1.00 1.04 O ATOM 1794 CB ALA A 114 -3.849 -0.299 -9.494 1.00 0.66 C ATOM 0 H ALA A 114 -4.748 -0.750 -11.675 1.00 0.61 H new ATOM 0 HA ALA A 114 -2.895 1.155 -10.791 1.00 0.62 H new ATOM 0 HB1 ALA A 114 -3.281 -0.010 -8.609 1.00 0.66 H new ATOM 0 HB2 ALA A 114 -4.807 0.220 -9.495 1.00 0.66 H new ATOM 0 HB3 ALA A 114 -4.020 -1.375 -9.480 1.00 0.66 H new ATOM 1800 N ALA A 115 -1.564 -1.848 -11.056 1.00 0.71 N ATOM 1801 CA ALA A 115 -0.294 -2.558 -11.112 1.00 0.81 C ATOM 1802 C ALA A 115 0.656 -2.012 -12.188 1.00 1.04 C ATOM 1803 O ALA A 115 1.847 -1.861 -11.912 1.00 1.11 O ATOM 1804 CB ALA A 115 -0.599 -4.032 -11.346 1.00 0.90 C ATOM 0 H ALA A 115 -2.371 -2.431 -11.278 1.00 0.71 H new ATOM 0 HA ALA A 115 0.231 -2.414 -10.168 1.00 0.81 H new ATOM 0 HB1 ALA A 115 0.334 -4.594 -11.393 1.00 0.90 H new ATOM 0 HB2 ALA A 115 -1.210 -4.412 -10.527 1.00 0.90 H new ATOM 0 HB3 ALA A 115 -1.140 -4.147 -12.285 1.00 0.90 H new ATOM 1810 N GLN A 116 0.161 -1.694 -13.390 1.00 0.90 N ATOM 1811 CA GLN A 116 0.964 -1.098 -14.460 1.00 1.05 C ATOM 1812 C GLN A 116 1.444 0.310 -14.105 1.00 1.37 C ATOM 1813 O GLN A 116 2.567 0.660 -14.467 1.00 1.56 O ATOM 1814 CB GLN A 116 0.149 -1.060 -15.764 1.00 1.19 C ATOM 1815 CG GLN A 116 -0.083 -2.444 -16.394 1.00 1.34 C ATOM 1816 CD GLN A 116 1.204 -3.193 -16.746 1.00 2.18 C ATOM 1817 OE1 GLN A 116 1.341 -4.376 -16.465 1.00 2.40 O ATOM 1818 NE2 GLN A 116 2.199 -2.573 -17.340 1.00 3.46 N ATOM 0 H GLN A 116 -0.814 -1.845 -13.647 1.00 0.90 H new ATOM 0 HA GLN A 116 1.848 -1.721 -14.593 1.00 1.05 H new ATOM 0 HB2 GLN A 116 -0.817 -0.596 -15.564 1.00 1.19 H new ATOM 0 HB3 GLN A 116 0.664 -0.425 -16.485 1.00 1.19 H new ATOM 0 HG2 GLN A 116 -0.668 -3.052 -15.704 1.00 1.34 H new ATOM 0 HG3 GLN A 116 -0.680 -2.325 -17.298 1.00 1.34 H new ATOM 0 HE21 GLN A 116 2.112 -1.587 -17.585 1.00 3.46 H new ATOM 0 HE22 GLN A 116 3.059 -3.078 -17.556 1.00 3.46 H new ATOM 1827 N THR A 117 0.638 1.078 -13.356 1.00 0.85 N ATOM 1828 CA THR A 117 1.047 2.390 -12.828 1.00 0.90 C ATOM 1829 C THR A 117 2.232 2.228 -11.886 1.00 1.03 C ATOM 1830 O THR A 117 3.268 2.870 -12.076 1.00 1.01 O ATOM 1831 CB THR A 117 -0.153 3.094 -12.167 1.00 1.03 C ATOM 1832 OG1 THR A 117 -0.904 3.656 -13.214 1.00 1.52 O ATOM 1833 CG2 THR A 117 0.235 4.244 -11.236 1.00 1.56 C ATOM 0 H THR A 117 -0.312 0.809 -13.100 1.00 0.85 H new ATOM 0 HA THR A 117 1.377 3.031 -13.645 1.00 0.90 H new ATOM 0 HB THR A 117 -0.683 2.355 -11.566 1.00 1.03 H new ATOM 0 HG1 THR A 117 -1.614 4.220 -12.841 1.00 1.52 H new ATOM 0 HG21 THR A 117 -0.665 4.687 -10.811 1.00 1.56 H new ATOM 0 HG22 THR A 117 0.867 3.865 -10.433 1.00 1.56 H new ATOM 0 HG23 THR A 117 0.780 5.001 -11.800 1.00 1.56 H new ATOM 1841 N PHE A 118 2.082 1.403 -10.853 1.00 0.67 N ATOM 1842 CA PHE A 118 3.092 1.197 -9.808 1.00 0.73 C ATOM 1843 C PHE A 118 4.323 0.366 -10.224 1.00 1.73 C ATOM 1844 O PHE A 118 5.368 0.488 -9.590 1.00 2.07 O ATOM 1845 CB PHE A 118 2.379 0.655 -8.559 1.00 0.72 C ATOM 1846 CG PHE A 118 1.521 1.715 -7.884 1.00 0.85 C ATOM 1847 CD1 PHE A 118 2.133 2.869 -7.370 1.00 1.83 C ATOM 1848 CD2 PHE A 118 0.122 1.592 -7.808 1.00 2.15 C ATOM 1849 CE1 PHE A 118 1.363 3.893 -6.793 1.00 1.66 C ATOM 1850 CE2 PHE A 118 -0.654 2.618 -7.246 1.00 2.25 C ATOM 1851 CZ PHE A 118 -0.035 3.771 -6.735 1.00 1.15 C ATOM 0 H PHE A 118 1.239 0.846 -10.712 1.00 0.67 H new ATOM 0 HA PHE A 118 3.547 2.163 -9.591 1.00 0.73 H new ATOM 0 HB2 PHE A 118 1.754 -0.193 -8.838 1.00 0.72 H new ATOM 0 HB3 PHE A 118 3.120 0.285 -7.851 1.00 0.72 H new ATOM 0 HD1 PHE A 118 3.207 2.971 -7.419 1.00 1.83 H new ATOM 0 HD2 PHE A 118 -0.359 0.701 -8.185 1.00 2.15 H new ATOM 0 HE1 PHE A 118 1.846 4.773 -6.394 1.00 1.66 H new ATOM 0 HE2 PHE A 118 -1.729 2.521 -7.206 1.00 2.25 H new ATOM 0 HZ PHE A 118 -0.631 4.559 -6.300 1.00 1.15 H new ATOM 1861 N GLY A 119 4.232 -0.451 -11.280 1.00 0.74 N ATOM 1862 CA GLY A 119 5.292 -1.387 -11.697 1.00 0.80 C ATOM 1863 C GLY A 119 5.179 -2.764 -11.051 1.00 0.83 C ATOM 1864 O GLY A 119 6.164 -3.494 -11.000 1.00 0.92 O ATOM 0 H GLY A 119 3.408 -0.484 -11.881 1.00 0.74 H new ATOM 0 HA2 GLY A 119 5.260 -1.500 -12.781 1.00 0.80 H new ATOM 0 HA3 GLY A 119 6.263 -0.957 -11.450 1.00 0.80 H new ATOM 1868 N VAL A 120 3.987 -3.121 -10.571 1.00 0.64 N ATOM 1869 CA VAL A 120 3.687 -4.436 -9.990 1.00 0.61 C ATOM 1870 C VAL A 120 3.457 -5.458 -11.099 1.00 0.97 C ATOM 1871 O VAL A 120 2.656 -5.250 -12.012 1.00 1.11 O ATOM 1872 CB VAL A 120 2.472 -4.357 -9.037 1.00 0.66 C ATOM 1873 CG1 VAL A 120 1.810 -5.713 -8.725 1.00 0.99 C ATOM 1874 CG2 VAL A 120 2.902 -3.677 -7.736 1.00 1.12 C ATOM 0 H VAL A 120 3.184 -2.492 -10.574 1.00 0.64 H new ATOM 0 HA VAL A 120 4.543 -4.759 -9.398 1.00 0.61 H new ATOM 0 HB VAL A 120 1.711 -3.776 -9.558 1.00 0.66 H new ATOM 0 HG11 VAL A 120 0.968 -5.560 -8.050 1.00 0.99 H new ATOM 0 HG12 VAL A 120 1.455 -6.166 -9.651 1.00 0.99 H new ATOM 0 HG13 VAL A 120 2.538 -6.373 -8.253 1.00 0.99 H new ATOM 0 HG21 VAL A 120 2.051 -3.617 -7.058 1.00 1.12 H new ATOM 0 HG22 VAL A 120 3.698 -4.256 -7.269 1.00 1.12 H new ATOM 0 HG23 VAL A 120 3.264 -2.672 -7.953 1.00 1.12 H new ATOM 1884 N PHE A 121 4.128 -6.599 -10.966 1.00 1.04 N ATOM 1885 CA PHE A 121 3.888 -7.808 -11.735 1.00 1.11 C ATOM 1886 C PHE A 121 3.232 -8.853 -10.821 1.00 1.64 C ATOM 1887 O PHE A 121 3.704 -9.134 -9.719 1.00 1.64 O ATOM 1888 CB PHE A 121 5.204 -8.271 -12.384 1.00 1.18 C ATOM 1889 CG PHE A 121 6.430 -8.246 -11.488 1.00 1.24 C ATOM 1890 CD1 PHE A 121 7.136 -7.041 -11.274 1.00 2.54 C ATOM 1891 CD2 PHE A 121 6.864 -9.431 -10.864 1.00 1.92 C ATOM 1892 CE1 PHE A 121 8.264 -7.033 -10.436 1.00 2.56 C ATOM 1893 CE2 PHE A 121 7.996 -9.418 -10.031 1.00 1.88 C ATOM 1894 CZ PHE A 121 8.694 -8.218 -9.818 1.00 1.40 C ATOM 0 H PHE A 121 4.884 -6.707 -10.290 1.00 1.04 H new ATOM 0 HA PHE A 121 3.194 -7.633 -12.557 1.00 1.11 H new ATOM 0 HB2 PHE A 121 5.067 -9.288 -12.752 1.00 1.18 H new ATOM 0 HB3 PHE A 121 5.399 -7.642 -13.252 1.00 1.18 H new ATOM 0 HD1 PHE A 121 6.810 -6.129 -11.753 1.00 2.54 H new ATOM 0 HD2 PHE A 121 6.325 -10.353 -11.026 1.00 1.92 H new ATOM 0 HE1 PHE A 121 8.802 -6.112 -10.267 1.00 2.56 H new ATOM 0 HE2 PHE A 121 8.328 -10.329 -9.556 1.00 1.88 H new ATOM 0 HZ PHE A 121 9.563 -8.207 -9.177 1.00 1.40 H new ATOM 1904 N TYR A 122 2.091 -9.379 -11.266 1.00 1.01 N ATOM 1905 CA TYR A 122 1.356 -10.444 -10.581 1.00 1.01 C ATOM 1906 C TYR A 122 0.723 -11.412 -11.592 1.00 1.26 C ATOM 1907 O TYR A 122 0.341 -11.023 -12.700 1.00 1.38 O ATOM 1908 CB TYR A 122 0.342 -9.868 -9.574 1.00 1.24 C ATOM 1909 CG TYR A 122 -0.929 -9.303 -10.179 1.00 1.21 C ATOM 1910 CD1 TYR A 122 -0.908 -8.043 -10.812 1.00 2.38 C ATOM 1911 CD2 TYR A 122 -2.134 -10.033 -10.107 1.00 1.48 C ATOM 1912 CE1 TYR A 122 -2.078 -7.529 -11.397 1.00 2.42 C ATOM 1913 CE2 TYR A 122 -3.309 -9.522 -10.694 1.00 1.60 C ATOM 1914 CZ TYR A 122 -3.277 -8.277 -11.360 1.00 1.43 C ATOM 1915 OH TYR A 122 -4.381 -7.786 -11.985 1.00 1.72 O ATOM 0 H TYR A 122 1.643 -9.071 -12.129 1.00 1.01 H new ATOM 0 HA TYR A 122 2.063 -11.030 -9.993 1.00 1.01 H new ATOM 0 HB2 TYR A 122 0.070 -10.653 -8.869 1.00 1.24 H new ATOM 0 HB3 TYR A 122 0.832 -9.081 -9.001 1.00 1.24 H new ATOM 0 HD1 TYR A 122 0.008 -7.472 -10.847 1.00 2.38 H new ATOM 0 HD2 TYR A 122 -2.156 -10.987 -9.600 1.00 1.48 H new ATOM 0 HE1 TYR A 122 -2.061 -6.561 -11.876 1.00 2.42 H new ATOM 0 HE2 TYR A 122 -4.231 -10.081 -10.635 1.00 1.60 H new ATOM 0 HH TYR A 122 -5.126 -8.412 -11.873 1.00 1.72 H new ATOM 1925 N GLN A 123 0.619 -12.676 -11.209 1.00 1.11 N ATOM 1926 CA GLN A 123 0.069 -13.779 -11.989 1.00 1.31 C ATOM 1927 C GLN A 123 -0.690 -14.676 -10.995 1.00 1.57 C ATOM 1928 O GLN A 123 -0.663 -14.416 -9.795 1.00 2.07 O ATOM 1929 CB GLN A 123 1.268 -14.461 -12.682 1.00 1.42 C ATOM 1930 CG GLN A 123 0.998 -15.652 -13.617 1.00 2.33 C ATOM 1931 CD GLN A 123 2.303 -16.348 -13.991 1.00 2.72 C ATOM 1932 OE1 GLN A 123 2.780 -16.274 -15.111 1.00 3.09 O ATOM 1933 NE2 GLN A 123 2.937 -17.021 -13.054 1.00 3.47 N ATOM 0 H GLN A 123 0.936 -12.979 -10.288 1.00 1.11 H new ATOM 0 HA GLN A 123 -0.636 -13.493 -12.770 1.00 1.31 H new ATOM 0 HB2 GLN A 123 1.794 -13.700 -13.259 1.00 1.42 H new ATOM 0 HB3 GLN A 123 1.952 -14.800 -11.903 1.00 1.42 H new ATOM 0 HG2 GLN A 123 0.329 -16.360 -13.128 1.00 2.33 H new ATOM 0 HG3 GLN A 123 0.493 -15.306 -14.519 1.00 2.33 H new ATOM 0 HE21 GLN A 123 2.541 -17.085 -12.116 1.00 3.47 H new ATOM 0 HE22 GLN A 123 3.824 -17.478 -13.266 1.00 3.47 H new ATOM 1942 N LYS A 124 -1.341 -15.745 -11.451 1.00 1.27 N ATOM 1943 CA LYS A 124 -1.582 -16.910 -10.595 1.00 1.23 C ATOM 1944 C LYS A 124 -1.268 -18.219 -11.326 1.00 1.38 C ATOM 1945 O LYS A 124 -1.523 -18.372 -12.520 1.00 1.75 O ATOM 1946 CB LYS A 124 -2.978 -16.853 -9.952 1.00 1.49 C ATOM 1947 CG LYS A 124 -4.151 -16.713 -10.933 1.00 1.68 C ATOM 1948 CD LYS A 124 -5.483 -16.597 -10.182 1.00 2.11 C ATOM 1949 CE LYS A 124 -5.558 -15.322 -9.326 1.00 3.20 C ATOM 1950 NZ LYS A 124 -6.787 -15.301 -8.515 1.00 3.75 N ATOM 0 H LYS A 124 -1.709 -15.831 -12.399 1.00 1.27 H new ATOM 0 HA LYS A 124 -0.883 -16.881 -9.759 1.00 1.23 H new ATOM 0 HB2 LYS A 124 -3.125 -17.758 -9.363 1.00 1.49 H new ATOM 0 HB3 LYS A 124 -3.005 -16.013 -9.258 1.00 1.49 H new ATOM 0 HG2 LYS A 124 -4.004 -15.832 -11.558 1.00 1.68 H new ATOM 0 HG3 LYS A 124 -4.178 -17.576 -11.599 1.00 1.68 H new ATOM 0 HD2 LYS A 124 -6.304 -16.600 -10.899 1.00 2.11 H new ATOM 0 HD3 LYS A 124 -5.615 -17.470 -9.543 1.00 2.11 H new ATOM 0 HE2 LYS A 124 -4.687 -15.266 -8.673 1.00 3.20 H new ATOM 0 HE3 LYS A 124 -5.529 -14.444 -9.972 1.00 3.20 H new ATOM 0 HZ1 LYS A 124 -7.122 -14.321 -8.417 1.00 3.75 H new ATOM 0 HZ2 LYS A 124 -7.520 -15.873 -8.981 1.00 3.75 H new ATOM 0 HZ3 LYS A 124 -6.588 -15.694 -7.573 1.00 3.75 H new ATOM 2120 N VAL A 135 -1.304 -17.591 -6.030 1.00 1.54 N ATOM 2121 CA VAL A 135 -1.153 -16.300 -6.707 1.00 1.38 C ATOM 2122 C VAL A 135 0.302 -15.870 -6.564 1.00 1.42 C ATOM 2123 O VAL A 135 0.895 -15.999 -5.494 1.00 1.47 O ATOM 2124 CB VAL A 135 -2.158 -15.258 -6.168 1.00 1.63 C ATOM 2125 CG1 VAL A 135 -2.060 -15.063 -4.649 1.00 2.34 C ATOM 2126 CG2 VAL A 135 -2.085 -13.898 -6.883 1.00 2.40 C ATOM 0 HA VAL A 135 -1.389 -16.389 -7.767 1.00 1.38 H new ATOM 0 HB VAL A 135 -3.133 -15.689 -6.393 1.00 1.63 H new ATOM 0 HG11 VAL A 135 -2.790 -14.319 -4.330 1.00 2.34 H new ATOM 0 HG12 VAL A 135 -2.262 -16.009 -4.147 1.00 2.34 H new ATOM 0 HG13 VAL A 135 -1.058 -14.722 -4.390 1.00 2.34 H new ATOM 0 HG21 VAL A 135 -2.820 -13.219 -6.450 1.00 2.40 H new ATOM 0 HG22 VAL A 135 -1.087 -13.477 -6.763 1.00 2.40 H new ATOM 0 HG23 VAL A 135 -2.297 -14.033 -7.944 1.00 2.40 H new ATOM 2136 N ASP A 136 0.888 -15.413 -7.664 1.00 1.03 N ATOM 2137 CA ASP A 136 2.276 -14.975 -7.751 1.00 1.09 C ATOM 2138 C ASP A 136 2.261 -13.445 -7.661 1.00 1.14 C ATOM 2139 O ASP A 136 1.706 -12.783 -8.536 1.00 1.35 O ATOM 2140 CB ASP A 136 2.906 -15.448 -9.079 1.00 1.60 C ATOM 2141 CG ASP A 136 2.511 -16.865 -9.520 1.00 2.95 C ATOM 2142 OD1 ASP A 136 3.056 -17.842 -8.960 1.00 3.58 O ATOM 2143 OD2 ASP A 136 1.717 -16.987 -10.485 1.00 4.23 O ATOM 0 H ASP A 136 0.392 -15.334 -8.552 1.00 1.03 H new ATOM 0 HA ASP A 136 2.877 -15.400 -6.947 1.00 1.09 H new ATOM 0 HB2 ASP A 136 2.625 -14.748 -9.866 1.00 1.60 H new ATOM 0 HB3 ASP A 136 3.991 -15.403 -8.985 1.00 1.60 H new ATOM 2148 N HIS A 137 2.793 -12.849 -6.593 1.00 0.76 N ATOM 2149 CA HIS A 137 2.507 -11.449 -6.273 1.00 0.68 C ATOM 2150 C HIS A 137 3.741 -10.651 -5.826 1.00 1.01 C ATOM 2151 O HIS A 137 4.565 -11.125 -5.038 1.00 1.20 O ATOM 2152 CB HIS A 137 1.393 -11.386 -5.215 1.00 1.01 C ATOM 2153 CG HIS A 137 1.794 -11.878 -3.845 1.00 1.64 C ATOM 2154 ND1 HIS A 137 1.976 -11.097 -2.725 1.00 2.45 N ATOM 2155 CD2 HIS A 137 2.012 -13.177 -3.468 1.00 2.45 C ATOM 2156 CE1 HIS A 137 2.289 -11.909 -1.702 1.00 2.94 C ATOM 2157 NE2 HIS A 137 2.325 -13.185 -2.106 1.00 2.96 N ATOM 0 H HIS A 137 3.422 -13.312 -5.937 1.00 0.76 H new ATOM 0 HA HIS A 137 2.175 -10.970 -7.194 1.00 0.68 H new ATOM 0 HB2 HIS A 137 1.050 -10.355 -5.130 1.00 1.01 H new ATOM 0 HB3 HIS A 137 0.546 -11.976 -5.564 1.00 1.01 H new ATOM 0 HD2 HIS A 137 1.952 -14.043 -4.111 1.00 2.45 H new ATOM 0 HE1 HIS A 137 2.485 -11.578 -0.693 1.00 2.94 H new ATOM 0 HE2 HIS A 137 2.539 -14.001 -1.533 1.00 2.96 H new ATOM 2166 N THR A 138 3.817 -9.394 -6.286 1.00 0.70 N ATOM 2167 CA THR A 138 4.811 -8.416 -5.838 1.00 0.77 C ATOM 2168 C THR A 138 4.286 -7.743 -4.575 1.00 1.23 C ATOM 2169 O THR A 138 3.482 -6.818 -4.644 1.00 2.07 O ATOM 2170 CB THR A 138 5.109 -7.412 -6.953 1.00 0.79 C ATOM 2171 OG1 THR A 138 5.625 -8.112 -8.056 1.00 1.38 O ATOM 2172 CG2 THR A 138 6.154 -6.368 -6.564 1.00 1.07 C ATOM 0 H THR A 138 3.178 -9.025 -6.991 1.00 0.70 H new ATOM 0 HA THR A 138 5.756 -8.906 -5.603 1.00 0.77 H new ATOM 0 HB THR A 138 4.173 -6.897 -7.170 1.00 0.79 H new ATOM 0 HG1 THR A 138 4.898 -8.325 -8.678 1.00 1.38 H new ATOM 0 HG21 THR A 138 6.318 -5.688 -7.400 1.00 1.07 H new ATOM 0 HG22 THR A 138 5.801 -5.804 -5.701 1.00 1.07 H new ATOM 0 HG23 THR A 138 7.090 -6.866 -6.313 1.00 1.07 H new ATOM 2180 N ALA A 139 4.735 -8.213 -3.410 1.00 0.65 N ATOM 2181 CA ALA A 139 4.409 -7.616 -2.112 1.00 0.73 C ATOM 2182 C ALA A 139 5.218 -6.322 -1.910 1.00 0.85 C ATOM 2183 O ALA A 139 6.350 -6.348 -1.415 1.00 1.26 O ATOM 2184 CB ALA A 139 4.643 -8.662 -1.011 1.00 0.99 C ATOM 0 H ALA A 139 5.343 -9.029 -3.340 1.00 0.65 H new ATOM 0 HA ALA A 139 3.359 -7.327 -2.068 1.00 0.73 H new ATOM 0 HB1 ALA A 139 4.403 -8.228 -0.040 1.00 0.99 H new ATOM 0 HB2 ALA A 139 4.004 -9.527 -1.189 1.00 0.99 H new ATOM 0 HB3 ALA A 139 5.687 -8.974 -1.021 1.00 0.99 H new ATOM 2190 N THR A 140 4.687 -5.179 -2.360 1.00 0.81 N ATOM 2191 CA THR A 140 5.375 -3.876 -2.289 1.00 0.84 C ATOM 2192 C THR A 140 4.399 -2.773 -1.911 1.00 0.99 C ATOM 2193 O THR A 140 3.201 -2.866 -2.182 1.00 1.23 O ATOM 2194 CB THR A 140 6.112 -3.592 -3.611 1.00 0.81 C ATOM 2195 OG1 THR A 140 7.097 -4.586 -3.762 1.00 1.11 O ATOM 2196 CG2 THR A 140 6.850 -2.252 -3.683 1.00 0.96 C ATOM 0 H THR A 140 3.762 -5.127 -2.787 1.00 0.81 H new ATOM 0 HA THR A 140 6.128 -3.908 -1.502 1.00 0.84 H new ATOM 0 HB THR A 140 5.342 -3.575 -4.382 1.00 0.81 H new ATOM 0 HG1 THR A 140 7.587 -4.437 -4.598 1.00 1.11 H new ATOM 0 HG21 THR A 140 7.333 -2.155 -4.655 1.00 0.96 H new ATOM 0 HG22 THR A 140 6.139 -1.437 -3.548 1.00 0.96 H new ATOM 0 HG23 THR A 140 7.604 -2.209 -2.897 1.00 0.96 H new ATOM 2204 N THR A 141 4.942 -1.745 -1.251 1.00 0.94 N ATOM 2205 CA THR A 141 4.282 -0.503 -0.840 1.00 0.99 C ATOM 2206 C THR A 141 4.824 0.618 -1.709 1.00 1.13 C ATOM 2207 O THR A 141 6.028 0.693 -1.950 1.00 1.12 O ATOM 2208 CB THR A 141 4.557 -0.150 0.630 1.00 1.16 C ATOM 2209 OG1 THR A 141 4.627 -1.307 1.421 1.00 1.33 O ATOM 2210 CG2 THR A 141 3.474 0.756 1.218 1.00 1.59 C ATOM 0 H THR A 141 5.923 -1.761 -0.971 1.00 0.94 H new ATOM 0 HA THR A 141 3.206 -0.634 -0.953 1.00 0.99 H new ATOM 0 HB THR A 141 5.511 0.377 0.640 1.00 1.16 H new ATOM 0 HG1 THR A 141 3.835 -1.862 1.260 1.00 1.33 H new ATOM 0 HG21 THR A 141 3.711 0.979 2.258 1.00 1.59 H new ATOM 0 HG22 THR A 141 3.429 1.685 0.649 1.00 1.59 H new ATOM 0 HG23 THR A 141 2.509 0.251 1.166 1.00 1.59 H new ATOM 2218 N PHE A 142 3.940 1.506 -2.139 1.00 0.97 N ATOM 2219 CA PHE A 142 4.231 2.615 -3.029 1.00 0.94 C ATOM 2220 C PHE A 142 3.794 3.924 -2.368 1.00 1.96 C ATOM 2221 O PHE A 142 2.605 4.152 -2.130 1.00 2.38 O ATOM 2222 CB PHE A 142 3.491 2.354 -4.343 1.00 0.88 C ATOM 2223 CG PHE A 142 3.969 1.096 -5.044 1.00 0.85 C ATOM 2224 CD1 PHE A 142 5.075 1.143 -5.914 1.00 1.95 C ATOM 2225 CD2 PHE A 142 3.339 -0.136 -4.781 1.00 1.80 C ATOM 2226 CE1 PHE A 142 5.531 -0.035 -6.529 1.00 1.76 C ATOM 2227 CE2 PHE A 142 3.812 -1.315 -5.381 1.00 1.74 C ATOM 2228 CZ PHE A 142 4.910 -1.263 -6.258 1.00 0.80 C ATOM 0 H PHE A 142 2.958 1.470 -1.864 1.00 0.97 H new ATOM 0 HA PHE A 142 5.298 2.702 -3.234 1.00 0.94 H new ATOM 0 HB2 PHE A 142 2.423 2.270 -4.143 1.00 0.88 H new ATOM 0 HB3 PHE A 142 3.625 3.208 -5.007 1.00 0.88 H new ATOM 0 HD1 PHE A 142 5.572 2.082 -6.108 1.00 1.95 H new ATOM 0 HD2 PHE A 142 2.489 -0.174 -4.116 1.00 1.80 H new ATOM 0 HE1 PHE A 142 6.365 0.005 -7.214 1.00 1.76 H new ATOM 0 HE2 PHE A 142 3.333 -2.260 -5.169 1.00 1.74 H new ATOM 0 HZ PHE A 142 5.275 -2.167 -6.722 1.00 0.80 H new ATOM 2238 N VAL A 143 4.768 4.789 -2.077 1.00 0.79 N ATOM 2239 CA VAL A 143 4.532 6.065 -1.404 1.00 0.75 C ATOM 2240 C VAL A 143 4.437 7.140 -2.473 1.00 0.89 C ATOM 2241 O VAL A 143 5.328 7.314 -3.308 1.00 1.04 O ATOM 2242 CB VAL A 143 5.596 6.419 -0.341 1.00 0.80 C ATOM 2243 CG1 VAL A 143 5.205 7.706 0.406 1.00 0.85 C ATOM 2244 CG2 VAL A 143 5.702 5.282 0.687 1.00 1.15 C ATOM 0 H VAL A 143 5.748 4.621 -2.304 1.00 0.79 H new ATOM 0 HA VAL A 143 3.601 5.990 -0.841 1.00 0.75 H new ATOM 0 HB VAL A 143 6.549 6.564 -0.850 1.00 0.80 H new ATOM 0 HG11 VAL A 143 5.966 7.940 1.151 1.00 0.85 H new ATOM 0 HG12 VAL A 143 5.127 8.529 -0.304 1.00 0.85 H new ATOM 0 HG13 VAL A 143 4.245 7.562 0.901 1.00 0.85 H new ATOM 0 HG21 VAL A 143 6.454 5.536 1.434 1.00 1.15 H new ATOM 0 HG22 VAL A 143 4.738 5.142 1.175 1.00 1.15 H new ATOM 0 HG23 VAL A 143 5.990 4.360 0.182 1.00 1.15 H new ATOM 2254 N VAL A 144 3.299 7.822 -2.433 1.00 0.68 N ATOM 2255 CA VAL A 144 2.928 8.895 -3.352 1.00 0.67 C ATOM 2256 C VAL A 144 2.658 10.163 -2.544 1.00 0.99 C ATOM 2257 O VAL A 144 1.754 10.182 -1.706 1.00 1.08 O ATOM 2258 CB VAL A 144 1.686 8.489 -4.181 1.00 0.74 C ATOM 2259 CG1 VAL A 144 1.198 9.595 -5.131 1.00 1.71 C ATOM 2260 CG2 VAL A 144 1.986 7.229 -5.008 1.00 1.56 C ATOM 0 H VAL A 144 2.580 7.637 -1.733 1.00 0.68 H new ATOM 0 HA VAL A 144 3.743 9.083 -4.051 1.00 0.67 H new ATOM 0 HB VAL A 144 0.893 8.300 -3.458 1.00 0.74 H new ATOM 0 HG11 VAL A 144 0.325 9.243 -5.681 1.00 1.71 H new ATOM 0 HG12 VAL A 144 0.930 10.479 -4.553 1.00 1.71 H new ATOM 0 HG13 VAL A 144 1.992 9.848 -5.834 1.00 1.71 H new ATOM 0 HG21 VAL A 144 1.104 6.955 -5.586 1.00 1.56 H new ATOM 0 HG22 VAL A 144 2.816 7.428 -5.685 1.00 1.56 H new ATOM 0 HG23 VAL A 144 2.251 6.410 -4.340 1.00 1.56 H new ATOM 2270 N LYS A 145 3.438 11.213 -2.817 1.00 0.63 N ATOM 2271 CA LYS A 145 3.175 12.591 -2.394 1.00 0.74 C ATOM 2272 C LYS A 145 2.781 13.406 -3.634 1.00 0.93 C ATOM 2273 O LYS A 145 3.463 13.307 -4.653 1.00 1.19 O ATOM 2274 CB LYS A 145 4.460 13.161 -1.756 1.00 0.92 C ATOM 2275 CG LYS A 145 4.310 14.558 -1.117 1.00 1.20 C ATOM 2276 CD LYS A 145 3.640 14.477 0.261 1.00 1.51 C ATOM 2277 CE LYS A 145 3.501 15.828 0.978 1.00 1.72 C ATOM 2278 NZ LYS A 145 4.811 16.399 1.373 1.00 1.67 N ATOM 0 H LYS A 145 4.299 11.124 -3.357 1.00 0.63 H new ATOM 0 HA LYS A 145 2.367 12.634 -1.663 1.00 0.74 H new ATOM 0 HB2 LYS A 145 4.808 12.465 -0.993 1.00 0.92 H new ATOM 0 HB3 LYS A 145 5.236 13.210 -2.520 1.00 0.92 H new ATOM 0 HG2 LYS A 145 5.292 15.022 -1.019 1.00 1.20 H new ATOM 0 HG3 LYS A 145 3.719 15.198 -1.773 1.00 1.20 H new ATOM 0 HD2 LYS A 145 2.649 14.037 0.145 1.00 1.51 H new ATOM 0 HD3 LYS A 145 4.217 13.801 0.893 1.00 1.51 H new ATOM 0 HE2 LYS A 145 2.984 16.531 0.325 1.00 1.72 H new ATOM 0 HE3 LYS A 145 2.881 15.703 1.865 1.00 1.72 H new ATOM 0 HZ1 LYS A 145 4.694 16.974 2.232 1.00 1.67 H new ATOM 0 HZ2 LYS A 145 5.483 15.628 1.561 1.00 1.67 H new ATOM 0 HZ3 LYS A 145 5.176 16.996 0.604 1.00 1.67 H new ATOM 2292 N GLU A 146 1.717 14.214 -3.570 1.00 0.78 N ATOM 2293 CA GLU A 146 1.423 15.238 -4.591 1.00 0.92 C ATOM 2294 C GLU A 146 0.931 14.608 -5.923 1.00 1.23 C ATOM 2295 O GLU A 146 1.076 15.184 -6.997 1.00 1.58 O ATOM 2296 CB GLU A 146 2.679 16.116 -4.786 1.00 1.06 C ATOM 2297 CG GLU A 146 2.406 17.593 -5.034 1.00 1.66 C ATOM 2298 CD GLU A 146 3.750 18.269 -5.255 1.00 1.88 C ATOM 2299 OE1 GLU A 146 4.292 18.114 -6.376 1.00 2.32 O ATOM 2300 OE2 GLU A 146 4.289 18.864 -4.299 1.00 2.60 O ATOM 0 H GLU A 146 1.034 14.181 -2.813 1.00 0.78 H new ATOM 0 HA GLU A 146 0.601 15.866 -4.246 1.00 0.92 H new ATOM 0 HB2 GLU A 146 3.308 16.023 -3.901 1.00 1.06 H new ATOM 0 HB3 GLU A 146 3.251 15.723 -5.627 1.00 1.06 H new ATOM 0 HG2 GLU A 146 1.762 17.724 -5.904 1.00 1.66 H new ATOM 0 HG3 GLU A 146 1.888 18.036 -4.184 1.00 1.66 H new ATOM 2307 N GLY A 147 0.426 13.368 -5.868 1.00 0.90 N ATOM 2308 CA GLY A 147 0.048 12.581 -7.050 1.00 0.94 C ATOM 2309 C GLY A 147 1.232 11.995 -7.824 1.00 0.92 C ATOM 2310 O GLY A 147 1.022 11.419 -8.895 1.00 0.98 O ATOM 0 H GLY A 147 0.266 12.876 -4.989 1.00 0.90 H new ATOM 0 HA2 GLY A 147 -0.604 11.766 -6.736 1.00 0.94 H new ATOM 0 HA3 GLY A 147 -0.533 13.213 -7.722 1.00 0.94 H new ATOM 2314 N ARG A 148 2.470 12.119 -7.319 1.00 0.88 N ATOM 2315 CA ARG A 148 3.678 11.538 -7.922 1.00 0.85 C ATOM 2316 C ARG A 148 4.399 10.543 -7.008 1.00 1.10 C ATOM 2317 O ARG A 148 4.432 10.673 -5.786 1.00 1.27 O ATOM 2318 CB ARG A 148 4.633 12.609 -8.482 1.00 0.94 C ATOM 2319 CG ARG A 148 4.662 13.965 -7.772 1.00 1.41 C ATOM 2320 CD ARG A 148 5.782 14.803 -8.394 1.00 1.45 C ATOM 2321 NE ARG A 148 5.723 16.229 -8.022 1.00 1.87 N ATOM 2322 CZ ARG A 148 6.464 17.198 -8.544 1.00 2.59 C ATOM 2323 NH1 ARG A 148 7.394 16.962 -9.450 1.00 3.33 N ATOM 2324 NH2 ARG A 148 6.276 18.434 -8.151 1.00 3.04 N ATOM 0 H ARG A 148 2.662 12.637 -6.462 1.00 0.88 H new ATOM 0 HA ARG A 148 3.323 10.956 -8.772 1.00 0.85 H new ATOM 0 HB2 ARG A 148 5.643 12.200 -8.469 1.00 0.94 H new ATOM 0 HB3 ARG A 148 4.372 12.781 -9.526 1.00 0.94 H new ATOM 0 HG2 ARG A 148 3.703 14.472 -7.879 1.00 1.41 H new ATOM 0 HG3 ARG A 148 4.834 13.832 -6.704 1.00 1.41 H new ATOM 0 HD2 ARG A 148 6.745 14.395 -8.087 1.00 1.45 H new ATOM 0 HD3 ARG A 148 5.731 14.716 -9.479 1.00 1.45 H new ATOM 0 HE ARG A 148 5.053 16.494 -7.300 1.00 1.87 H new ATOM 0 HH11 ARG A 148 7.563 16.009 -9.772 1.00 3.33 H new ATOM 0 HH12 ARG A 148 7.944 17.733 -9.829 1.00 3.33 H new ATOM 0 HH21 ARG A 148 5.565 18.644 -7.450 1.00 3.04 H new ATOM 0 HH22 ARG A 148 6.840 19.186 -8.546 1.00 3.04 H new ATOM 2338 N LEU A 149 4.973 9.504 -7.624 1.00 0.73 N ATOM 2339 CA LEU A 149 5.649 8.399 -6.940 1.00 0.66 C ATOM 2340 C LEU A 149 6.941 8.950 -6.340 1.00 0.97 C ATOM 2341 O LEU A 149 7.672 9.646 -7.037 1.00 1.39 O ATOM 2342 CB LEU A 149 5.921 7.266 -7.956 1.00 0.80 C ATOM 2343 CG LEU A 149 6.087 5.832 -7.406 1.00 0.90 C ATOM 2344 CD1 LEU A 149 7.086 5.662 -6.254 1.00 2.01 C ATOM 2345 CD2 LEU A 149 4.745 5.266 -6.941 1.00 2.08 C ATOM 0 H LEU A 149 4.980 9.407 -8.639 1.00 0.73 H new ATOM 0 HA LEU A 149 5.037 7.981 -6.141 1.00 0.66 H new ATOM 0 HB2 LEU A 149 5.102 7.257 -8.675 1.00 0.80 H new ATOM 0 HB3 LEU A 149 6.826 7.520 -8.508 1.00 0.80 H new ATOM 0 HG LEU A 149 6.494 5.287 -8.258 1.00 0.90 H new ATOM 0 HD11 LEU A 149 7.118 4.615 -5.952 1.00 2.01 H new ATOM 0 HD12 LEU A 149 8.077 5.975 -6.583 1.00 2.01 H new ATOM 0 HD13 LEU A 149 6.774 6.275 -5.408 1.00 2.01 H new ATOM 0 HD21 LEU A 149 4.889 4.256 -6.558 1.00 2.08 H new ATOM 0 HD22 LEU A 149 4.337 5.898 -6.152 1.00 2.08 H new ATOM 0 HD23 LEU A 149 4.050 5.240 -7.781 1.00 2.08 H new ATOM 2357 N VAL A 150 7.224 8.650 -5.073 1.00 0.52 N ATOM 2358 CA VAL A 150 8.362 9.266 -4.369 1.00 0.61 C ATOM 2359 C VAL A 150 9.267 8.262 -3.625 1.00 1.00 C ATOM 2360 O VAL A 150 10.448 8.549 -3.415 1.00 1.14 O ATOM 2361 CB VAL A 150 7.814 10.411 -3.484 1.00 0.75 C ATOM 2362 CG1 VAL A 150 7.330 9.938 -2.108 1.00 2.65 C ATOM 2363 CG2 VAL A 150 8.807 11.565 -3.349 1.00 2.23 C ATOM 0 H VAL A 150 6.688 7.989 -4.511 1.00 0.52 H new ATOM 0 HA VAL A 150 9.050 9.685 -5.103 1.00 0.61 H new ATOM 0 HB VAL A 150 6.937 10.785 -4.012 1.00 0.75 H new ATOM 0 HG11 VAL A 150 6.959 10.791 -1.540 1.00 2.65 H new ATOM 0 HG12 VAL A 150 6.529 9.210 -2.235 1.00 2.65 H new ATOM 0 HG13 VAL A 150 8.158 9.476 -1.570 1.00 2.65 H new ATOM 0 HG21 VAL A 150 8.377 12.343 -2.719 1.00 2.23 H new ATOM 0 HG22 VAL A 150 9.729 11.200 -2.896 1.00 2.23 H new ATOM 0 HG23 VAL A 150 9.024 11.975 -4.335 1.00 2.23 H new ATOM 2373 N LEU A 151 8.754 7.065 -3.288 1.00 0.60 N ATOM 2374 CA LEU A 151 9.449 6.025 -2.519 1.00 0.65 C ATOM 2375 C LEU A 151 8.725 4.671 -2.589 1.00 1.17 C ATOM 2376 O LEU A 151 7.495 4.625 -2.593 1.00 1.34 O ATOM 2377 CB LEU A 151 9.613 6.497 -1.051 1.00 0.64 C ATOM 2378 CG LEU A 151 11.091 6.662 -0.674 1.00 0.80 C ATOM 2379 CD1 LEU A 151 11.309 7.556 0.535 1.00 0.97 C ATOM 2380 CD2 LEU A 151 11.738 5.307 -0.403 1.00 0.87 C ATOM 0 H LEU A 151 7.809 6.788 -3.555 1.00 0.60 H new ATOM 0 HA LEU A 151 10.433 5.870 -2.962 1.00 0.65 H new ATOM 0 HB2 LEU A 151 9.093 7.445 -0.913 1.00 0.64 H new ATOM 0 HB3 LEU A 151 9.144 5.776 -0.382 1.00 0.64 H new ATOM 0 HG LEU A 151 11.558 7.143 -1.533 1.00 0.80 H new ATOM 0 HD11 LEU A 151 12.376 7.629 0.746 1.00 0.97 H new ATOM 0 HD12 LEU A 151 10.911 8.550 0.329 1.00 0.97 H new ATOM 0 HD13 LEU A 151 10.797 7.132 1.398 1.00 0.97 H new ATOM 0 HD21 LEU A 151 12.785 5.450 -0.138 1.00 0.87 H new ATOM 0 HD22 LEU A 151 11.220 4.814 0.420 1.00 0.87 H new ATOM 0 HD23 LEU A 151 11.672 4.687 -1.297 1.00 0.87 H new ATOM 2392 N LEU A 152 9.486 3.576 -2.639 1.00 0.82 N ATOM 2393 CA LEU A 152 8.992 2.196 -2.594 1.00 0.93 C ATOM 2394 C LEU A 152 9.520 1.447 -1.364 1.00 1.32 C ATOM 2395 O LEU A 152 10.672 1.646 -0.975 1.00 1.33 O ATOM 2396 CB LEU A 152 9.400 1.413 -3.860 1.00 1.15 C ATOM 2397 CG LEU A 152 9.099 2.102 -5.206 1.00 1.15 C ATOM 2398 CD1 LEU A 152 10.161 3.084 -5.729 1.00 1.93 C ATOM 2399 CD2 LEU A 152 8.906 1.032 -6.292 1.00 1.31 C ATOM 0 H LEU A 152 10.502 3.627 -2.715 1.00 0.82 H new ATOM 0 HA LEU A 152 7.905 2.259 -2.538 1.00 0.93 H new ATOM 0 HB2 LEU A 152 10.470 1.211 -3.809 1.00 1.15 H new ATOM 0 HB3 LEU A 152 8.892 0.449 -3.846 1.00 1.15 H new ATOM 0 HG LEU A 152 8.207 2.694 -5.002 1.00 1.15 H new ATOM 0 HD11 LEU A 152 9.833 3.502 -6.681 1.00 1.93 H new ATOM 0 HD12 LEU A 152 10.298 3.889 -5.008 1.00 1.93 H new ATOM 0 HD13 LEU A 152 11.105 2.558 -5.870 1.00 1.93 H new ATOM 0 HD21 LEU A 152 8.693 1.516 -7.245 1.00 1.31 H new ATOM 0 HD22 LEU A 152 9.815 0.437 -6.382 1.00 1.31 H new ATOM 0 HD23 LEU A 152 8.073 0.384 -6.020 1.00 1.31 H new ATOM 2411 N TYR A 153 8.717 0.525 -0.821 1.00 0.94 N ATOM 2412 CA TYR A 153 9.137 -0.431 0.211 1.00 0.84 C ATOM 2413 C TYR A 153 8.710 -1.875 -0.119 1.00 1.32 C ATOM 2414 O TYR A 153 7.519 -2.187 -0.181 1.00 1.87 O ATOM 2415 CB TYR A 153 8.533 -0.059 1.574 1.00 0.80 C ATOM 2416 CG TYR A 153 8.858 1.294 2.181 1.00 0.94 C ATOM 2417 CD1 TYR A 153 10.197 1.674 2.381 1.00 1.71 C ATOM 2418 CD2 TYR A 153 7.818 2.108 2.681 1.00 2.60 C ATOM 2419 CE1 TYR A 153 10.499 2.837 3.110 1.00 1.84 C ATOM 2420 CE2 TYR A 153 8.112 3.281 3.401 1.00 2.92 C ATOM 2421 CZ TYR A 153 9.461 3.635 3.630 1.00 1.74 C ATOM 2422 OH TYR A 153 9.780 4.716 4.386 1.00 2.25 O ATOM 0 H TYR A 153 7.739 0.420 -1.091 1.00 0.94 H new ATOM 0 HA TYR A 153 10.225 -0.382 0.245 1.00 0.84 H new ATOM 0 HB2 TYR A 153 7.449 -0.126 1.482 1.00 0.80 H new ATOM 0 HB3 TYR A 153 8.840 -0.822 2.289 1.00 0.80 H new ATOM 0 HD1 TYR A 153 10.995 1.071 1.974 1.00 1.71 H new ATOM 0 HD2 TYR A 153 6.789 1.828 2.510 1.00 2.60 H new ATOM 0 HE1 TYR A 153 11.529 3.119 3.272 1.00 1.84 H new ATOM 0 HE2 TYR A 153 7.314 3.905 3.775 1.00 2.92 H new ATOM 0 HH TYR A 153 8.987 5.280 4.501 1.00 2.25 H new ATOM 2432 N SER A 154 9.670 -2.795 -0.234 1.00 1.02 N ATOM 2433 CA SER A 154 9.456 -4.220 0.071 1.00 0.93 C ATOM 2434 C SER A 154 9.244 -4.424 1.591 1.00 1.00 C ATOM 2435 O SER A 154 9.568 -3.509 2.361 1.00 1.13 O ATOM 2436 CB SER A 154 10.690 -5.000 -0.430 1.00 1.15 C ATOM 2437 OG SER A 154 11.896 -4.363 -0.043 1.00 1.48 O ATOM 0 H SER A 154 10.618 -2.578 -0.541 1.00 1.02 H new ATOM 0 HA SER A 154 8.559 -4.587 -0.429 1.00 0.93 H new ATOM 0 HB2 SER A 154 10.668 -6.014 -0.031 1.00 1.15 H new ATOM 0 HB3 SER A 154 10.653 -5.084 -1.516 1.00 1.15 H new ATOM 0 HG SER A 154 12.505 -5.024 0.348 1.00 1.48 H new ATOM 2443 N PRO A 155 8.735 -5.582 2.069 1.00 0.71 N ATOM 2444 CA PRO A 155 8.543 -5.824 3.498 1.00 0.89 C ATOM 2445 C PRO A 155 9.846 -5.690 4.295 1.00 1.16 C ATOM 2446 O PRO A 155 9.853 -5.069 5.353 1.00 1.13 O ATOM 2447 CB PRO A 155 7.922 -7.220 3.622 1.00 1.20 C ATOM 2448 CG PRO A 155 8.248 -7.891 2.289 1.00 1.02 C ATOM 2449 CD PRO A 155 8.234 -6.719 1.310 1.00 0.83 C ATOM 0 HA PRO A 155 7.884 -5.071 3.929 1.00 0.89 H new ATOM 0 HB2 PRO A 155 8.346 -7.772 4.461 1.00 1.20 H new ATOM 0 HB3 PRO A 155 6.846 -7.165 3.788 1.00 1.20 H new ATOM 0 HG2 PRO A 155 9.218 -8.387 2.312 1.00 1.02 H new ATOM 0 HG3 PRO A 155 7.509 -8.648 2.025 1.00 1.02 H new ATOM 0 HD2 PRO A 155 8.863 -6.922 0.443 1.00 0.83 H new ATOM 0 HD3 PRO A 155 7.228 -6.530 0.936 1.00 0.83 H new ATOM 2457 N ASP A 156 10.984 -6.157 3.773 1.00 0.94 N ATOM 2458 CA ASP A 156 12.268 -6.055 4.479 1.00 1.15 C ATOM 2459 C ASP A 156 12.795 -4.605 4.618 1.00 1.31 C ATOM 2460 O ASP A 156 13.777 -4.344 5.317 1.00 1.76 O ATOM 2461 CB ASP A 156 13.288 -6.970 3.782 1.00 1.32 C ATOM 2462 CG ASP A 156 13.867 -6.345 2.509 1.00 1.60 C ATOM 2463 OD1 ASP A 156 13.080 -5.949 1.615 1.00 2.21 O ATOM 2464 OD2 ASP A 156 15.101 -6.145 2.479 1.00 2.38 O ATOM 0 H ASP A 156 11.044 -6.611 2.862 1.00 0.94 H new ATOM 0 HA ASP A 156 12.110 -6.385 5.506 1.00 1.15 H new ATOM 0 HB2 ASP A 156 14.100 -7.196 4.473 1.00 1.32 H new ATOM 0 HB3 ASP A 156 12.810 -7.917 3.532 1.00 1.32 H new ATOM 2469 N LYS A 157 12.158 -3.645 3.941 1.00 1.03 N ATOM 2470 CA LYS A 157 12.265 -2.209 4.218 1.00 1.10 C ATOM 2471 C LYS A 157 11.138 -1.731 5.159 1.00 1.22 C ATOM 2472 O LYS A 157 11.423 -1.041 6.139 1.00 1.30 O ATOM 2473 CB LYS A 157 12.255 -1.406 2.899 1.00 1.25 C ATOM 2474 CG LYS A 157 13.296 -1.836 1.855 1.00 1.65 C ATOM 2475 CD LYS A 157 14.751 -1.491 2.214 1.00 1.95 C ATOM 2476 CE LYS A 157 15.669 -2.706 2.040 1.00 2.30 C ATOM 2477 NZ LYS A 157 15.581 -3.632 3.188 1.00 2.79 N ATOM 0 H LYS A 157 11.534 -3.852 3.161 1.00 1.03 H new ATOM 0 HA LYS A 157 13.213 -2.034 4.726 1.00 1.10 H new ATOM 0 HB2 LYS A 157 11.264 -1.486 2.453 1.00 1.25 H new ATOM 0 HB3 LYS A 157 12.415 -0.354 3.134 1.00 1.25 H new ATOM 0 HG2 LYS A 157 13.219 -2.913 1.708 1.00 1.65 H new ATOM 0 HG3 LYS A 157 13.050 -1.366 0.903 1.00 1.65 H new ATOM 0 HD2 LYS A 157 15.100 -0.675 1.582 1.00 1.95 H new ATOM 0 HD3 LYS A 157 14.800 -1.140 3.245 1.00 1.95 H new ATOM 0 HE2 LYS A 157 15.401 -3.235 1.125 1.00 2.30 H new ATOM 0 HE3 LYS A 157 16.699 -2.369 1.924 1.00 2.30 H new ATOM 0 HZ1 LYS A 157 15.631 -4.613 2.847 1.00 2.79 H new ATOM 0 HZ2 LYS A 157 16.370 -3.452 3.841 1.00 2.79 H new ATOM 0 HZ3 LYS A 157 14.680 -3.484 3.686 1.00 2.79 H new ATOM 2491 N ALA A 158 9.884 -2.099 4.864 1.00 0.81 N ATOM 2492 CA ALA A 158 8.669 -1.602 5.520 1.00 0.78 C ATOM 2493 C ALA A 158 8.542 -2.009 6.996 1.00 0.97 C ATOM 2494 O ALA A 158 8.083 -1.208 7.807 1.00 0.99 O ATOM 2495 CB ALA A 158 7.448 -2.120 4.741 1.00 0.79 C ATOM 0 H ALA A 158 9.681 -2.779 4.131 1.00 0.81 H new ATOM 0 HA ALA A 158 8.725 -0.513 5.512 1.00 0.78 H new ATOM 0 HB1 ALA A 158 6.535 -1.760 5.215 1.00 0.79 H new ATOM 0 HB2 ALA A 158 7.491 -1.758 3.714 1.00 0.79 H new ATOM 0 HB3 ALA A 158 7.452 -3.210 4.742 1.00 0.79 H new ATOM 2501 N GLU A 159 8.943 -3.235 7.351 1.00 0.73 N ATOM 2502 CA GLU A 159 8.698 -3.777 8.690 1.00 0.76 C ATOM 2503 C GLU A 159 9.586 -3.118 9.771 1.00 1.05 C ATOM 2504 O GLU A 159 9.322 -3.233 10.965 1.00 1.27 O ATOM 2505 CB GLU A 159 8.737 -5.321 8.664 1.00 0.93 C ATOM 2506 CG GLU A 159 7.662 -5.865 7.699 1.00 1.32 C ATOM 2507 CD GLU A 159 7.354 -7.355 7.829 1.00 1.79 C ATOM 2508 OE1 GLU A 159 8.231 -8.124 8.261 1.00 2.25 O ATOM 2509 OE2 GLU A 159 6.207 -7.715 7.461 1.00 2.75 O ATOM 0 H GLU A 159 9.440 -3.871 6.727 1.00 0.73 H new ATOM 0 HA GLU A 159 7.687 -3.509 8.996 1.00 0.76 H new ATOM 0 HB2 GLU A 159 9.724 -5.662 8.350 1.00 0.93 H new ATOM 0 HB3 GLU A 159 8.568 -5.713 9.667 1.00 0.93 H new ATOM 0 HG2 GLU A 159 6.740 -5.306 7.858 1.00 1.32 H new ATOM 0 HG3 GLU A 159 7.983 -5.666 6.676 1.00 1.32 H new ATOM 2516 N ALA A 160 10.592 -2.330 9.366 1.00 0.75 N ATOM 2517 CA ALA A 160 11.358 -1.450 10.250 1.00 0.75 C ATOM 2518 C ALA A 160 10.632 -0.104 10.477 1.00 0.97 C ATOM 2519 O ALA A 160 11.044 0.922 9.923 1.00 0.90 O ATOM 2520 CB ALA A 160 12.773 -1.272 9.670 1.00 0.78 C ATOM 0 H ALA A 160 10.900 -2.288 8.394 1.00 0.75 H new ATOM 0 HA ALA A 160 11.445 -1.905 11.236 1.00 0.75 H new ATOM 0 HB1 ALA A 160 13.353 -0.618 10.321 1.00 0.78 H new ATOM 0 HB2 ALA A 160 13.263 -2.243 9.602 1.00 0.78 H new ATOM 0 HB3 ALA A 160 12.706 -0.829 8.676 1.00 0.78 H new ATOM 2526 N THR A 161 9.595 -0.093 11.332 1.00 0.77 N ATOM 2527 CA THR A 161 8.789 1.095 11.701 1.00 0.81 C ATOM 2528 C THR A 161 9.619 2.361 11.885 1.00 0.97 C ATOM 2529 O THR A 161 9.415 3.327 11.159 1.00 1.24 O ATOM 2530 CB THR A 161 7.991 0.810 12.979 1.00 0.91 C ATOM 2531 OG1 THR A 161 7.044 -0.191 12.709 1.00 1.09 O ATOM 2532 CG2 THR A 161 7.243 2.037 13.498 1.00 1.04 C ATOM 0 H THR A 161 9.279 -0.940 11.805 1.00 0.77 H new ATOM 0 HA THR A 161 8.116 1.281 10.864 1.00 0.81 H new ATOM 0 HB THR A 161 8.707 0.503 13.742 1.00 0.91 H new ATOM 0 HG1 THR A 161 6.305 0.189 12.189 1.00 1.09 H new ATOM 0 HG21 THR A 161 6.697 1.774 14.404 1.00 1.04 H new ATOM 0 HG22 THR A 161 7.956 2.830 13.722 1.00 1.04 H new ATOM 0 HG23 THR A 161 6.542 2.384 12.739 1.00 1.04 H new ATOM 2540 N ASP A 162 10.559 2.369 12.830 1.00 0.86 N ATOM 2541 CA ASP A 162 11.387 3.547 13.127 1.00 0.95 C ATOM 2542 C ASP A 162 12.388 3.909 12.013 1.00 1.31 C ATOM 2543 O ASP A 162 12.785 5.069 11.923 1.00 1.48 O ATOM 2544 CB ASP A 162 12.042 3.388 14.504 1.00 1.04 C ATOM 2545 CG ASP A 162 11.019 3.688 15.610 1.00 1.69 C ATOM 2546 OD1 ASP A 162 10.907 4.864 16.028 1.00 2.76 O ATOM 2547 OD2 ASP A 162 10.251 2.772 15.998 1.00 2.57 O ATOM 0 H ASP A 162 10.771 1.560 13.414 1.00 0.86 H new ATOM 0 HA ASP A 162 10.724 4.412 13.162 1.00 0.95 H new ATOM 0 HB2 ASP A 162 12.427 2.374 14.618 1.00 1.04 H new ATOM 0 HB3 ASP A 162 12.893 4.064 14.591 1.00 1.04 H new ATOM 2552 N ARG A 163 12.716 2.996 11.084 1.00 1.02 N ATOM 2553 CA ARG A 163 13.292 3.410 9.792 1.00 1.06 C ATOM 2554 C ARG A 163 12.245 4.122 8.941 1.00 1.15 C ATOM 2555 O ARG A 163 12.496 5.258 8.556 1.00 1.42 O ATOM 2556 CB ARG A 163 13.918 2.245 9.005 1.00 1.05 C ATOM 2557 CG ARG A 163 15.078 1.555 9.736 1.00 1.27 C ATOM 2558 CD ARG A 163 16.273 2.478 9.990 1.00 1.54 C ATOM 2559 NE ARG A 163 17.071 2.752 8.772 1.00 2.37 N ATOM 2560 CZ ARG A 163 17.116 3.861 8.033 1.00 3.84 C ATOM 2561 NH1 ARG A 163 16.323 4.900 8.209 1.00 4.42 N ATOM 2562 NH2 ARG A 163 17.989 3.938 7.053 1.00 5.17 N ATOM 0 H ARG A 163 12.596 1.989 11.197 1.00 1.02 H new ATOM 0 HA ARG A 163 14.103 4.101 10.025 1.00 1.06 H new ATOM 0 HB2 ARG A 163 13.145 1.507 8.791 1.00 1.05 H new ATOM 0 HB3 ARG A 163 14.276 2.618 8.046 1.00 1.05 H new ATOM 0 HG2 ARG A 163 14.718 1.169 10.690 1.00 1.27 H new ATOM 0 HG3 ARG A 163 15.409 0.698 9.149 1.00 1.27 H new ATOM 0 HD2 ARG A 163 15.914 3.422 10.400 1.00 1.54 H new ATOM 0 HD3 ARG A 163 16.918 2.027 10.745 1.00 1.54 H new ATOM 0 HE ARG A 163 17.668 1.988 8.455 1.00 2.37 H new ATOM 0 HH11 ARG A 163 15.620 4.886 8.948 1.00 4.42 H new ATOM 0 HH12 ARG A 163 16.412 5.718 7.606 1.00 4.42 H new ATOM 0 HH21 ARG A 163 18.618 3.157 6.868 1.00 5.17 H new ATOM 0 HH22 ARG A 163 18.037 4.779 6.478 1.00 5.17 H new ATOM 2576 N VAL A 164 11.078 3.505 8.715 1.00 0.96 N ATOM 2577 CA VAL A 164 10.006 4.067 7.865 1.00 0.99 C ATOM 2578 C VAL A 164 9.631 5.478 8.314 1.00 1.22 C ATOM 2579 O VAL A 164 9.481 6.352 7.469 1.00 1.32 O ATOM 2580 CB VAL A 164 8.741 3.176 7.815 1.00 0.91 C ATOM 2581 CG1 VAL A 164 7.518 3.871 7.170 1.00 0.94 C ATOM 2582 CG2 VAL A 164 9.040 1.882 7.041 1.00 1.08 C ATOM 0 H VAL A 164 10.844 2.597 9.116 1.00 0.96 H new ATOM 0 HA VAL A 164 10.414 4.105 6.855 1.00 0.99 H new ATOM 0 HB VAL A 164 8.482 2.962 8.852 1.00 0.91 H new ATOM 0 HG11 VAL A 164 6.669 3.187 7.169 1.00 0.94 H new ATOM 0 HG12 VAL A 164 7.264 4.764 7.741 1.00 0.94 H new ATOM 0 HG13 VAL A 164 7.758 4.152 6.145 1.00 0.94 H new ATOM 0 HG21 VAL A 164 8.145 1.261 7.011 1.00 1.08 H new ATOM 0 HG22 VAL A 164 9.345 2.129 6.024 1.00 1.08 H new ATOM 0 HG23 VAL A 164 9.842 1.338 7.539 1.00 1.08 H new ATOM 2592 N VAL A 165 9.546 5.711 9.628 1.00 1.00 N ATOM 2593 CA VAL A 165 9.301 7.035 10.222 1.00 1.02 C ATOM 2594 C VAL A 165 10.258 8.097 9.678 1.00 1.24 C ATOM 2595 O VAL A 165 9.800 9.187 9.364 1.00 1.35 O ATOM 2596 CB VAL A 165 9.431 6.963 11.761 1.00 1.07 C ATOM 2597 CG1 VAL A 165 9.494 8.334 12.465 1.00 1.24 C ATOM 2598 CG2 VAL A 165 8.244 6.182 12.341 1.00 1.22 C ATOM 0 H VAL A 165 9.647 4.972 10.324 1.00 1.00 H new ATOM 0 HA VAL A 165 8.287 7.327 9.949 1.00 1.02 H new ATOM 0 HB VAL A 165 10.383 6.466 11.949 1.00 1.07 H new ATOM 0 HG11 VAL A 165 9.585 8.187 13.541 1.00 1.24 H new ATOM 0 HG12 VAL A 165 10.358 8.891 12.101 1.00 1.24 H new ATOM 0 HG13 VAL A 165 8.584 8.895 12.251 1.00 1.24 H new ATOM 0 HG21 VAL A 165 8.337 6.132 13.426 1.00 1.22 H new ATOM 0 HG22 VAL A 165 7.314 6.686 12.079 1.00 1.22 H new ATOM 0 HG23 VAL A 165 8.237 5.172 11.930 1.00 1.22 H new ATOM 2608 N ALA A 166 11.556 7.815 9.559 1.00 1.05 N ATOM 2609 CA ALA A 166 12.531 8.798 9.085 1.00 1.08 C ATOM 2610 C ALA A 166 12.363 9.141 7.597 1.00 1.22 C ATOM 2611 O ALA A 166 12.391 10.325 7.266 1.00 1.26 O ATOM 2612 CB ALA A 166 13.940 8.275 9.398 1.00 1.17 C ATOM 0 H ALA A 166 11.959 6.906 9.787 1.00 1.05 H new ATOM 0 HA ALA A 166 12.362 9.738 9.610 1.00 1.08 H new ATOM 0 HB1 ALA A 166 14.681 8.995 9.051 1.00 1.17 H new ATOM 0 HB2 ALA A 166 14.046 8.135 10.474 1.00 1.17 H new ATOM 0 HB3 ALA A 166 14.095 7.323 8.891 1.00 1.17 H new ATOM 2618 N ASP A 167 12.136 8.165 6.710 1.00 1.05 N ATOM 2619 CA ASP A 167 11.915 8.468 5.288 1.00 1.08 C ATOM 2620 C ASP A 167 10.583 9.211 5.099 1.00 1.32 C ATOM 2621 O ASP A 167 10.503 10.165 4.334 1.00 1.29 O ATOM 2622 CB ASP A 167 11.898 7.236 4.364 1.00 1.30 C ATOM 2623 CG ASP A 167 12.799 6.022 4.630 1.00 1.74 C ATOM 2624 OD1 ASP A 167 13.404 5.852 5.714 1.00 3.23 O ATOM 2625 OD2 ASP A 167 12.964 5.281 3.639 1.00 2.23 O ATOM 0 H ASP A 167 12.100 7.173 6.945 1.00 1.05 H new ATOM 0 HA ASP A 167 12.769 9.082 5.002 1.00 1.08 H new ATOM 0 HB2 ASP A 167 10.871 6.870 4.343 1.00 1.30 H new ATOM 0 HB3 ASP A 167 12.131 7.590 3.360 1.00 1.30 H new ATOM 2630 N LEU A 168 9.548 8.795 5.836 1.00 1.03 N ATOM 2631 CA LEU A 168 8.222 9.415 5.900 1.00 1.06 C ATOM 2632 C LEU A 168 8.303 10.859 6.413 1.00 1.39 C ATOM 2633 O LEU A 168 7.666 11.743 5.856 1.00 1.54 O ATOM 2634 CB LEU A 168 7.377 8.494 6.803 1.00 1.27 C ATOM 2635 CG LEU A 168 5.862 8.703 6.963 1.00 1.61 C ATOM 2636 CD1 LEU A 168 5.525 9.957 7.774 1.00 3.07 C ATOM 2637 CD2 LEU A 168 5.142 8.660 5.614 1.00 1.89 C ATOM 0 H LEU A 168 9.617 7.973 6.436 1.00 1.03 H new ATOM 0 HA LEU A 168 7.762 9.504 4.916 1.00 1.06 H new ATOM 0 HB2 LEU A 168 7.521 7.476 6.442 1.00 1.27 H new ATOM 0 HB3 LEU A 168 7.812 8.542 7.801 1.00 1.27 H new ATOM 0 HG LEU A 168 5.485 7.864 7.547 1.00 1.61 H new ATOM 0 HD11 LEU A 168 4.443 10.057 7.857 1.00 3.07 H new ATOM 0 HD12 LEU A 168 5.959 9.873 8.770 1.00 3.07 H new ATOM 0 HD13 LEU A 168 5.933 10.835 7.273 1.00 3.07 H new ATOM 0 HD21 LEU A 168 4.073 8.811 5.767 1.00 1.89 H new ATOM 0 HD22 LEU A 168 5.531 9.447 4.969 1.00 1.89 H new ATOM 0 HD23 LEU A 168 5.307 7.691 5.144 1.00 1.89 H new ATOM 2649 N GLN A 169 9.158 11.121 7.403 1.00 1.01 N ATOM 2650 CA GLN A 169 9.471 12.462 7.895 1.00 1.04 C ATOM 2651 C GLN A 169 10.238 13.309 6.870 1.00 1.37 C ATOM 2652 O GLN A 169 10.006 14.511 6.806 1.00 1.47 O ATOM 2653 CB GLN A 169 10.211 12.354 9.246 1.00 1.06 C ATOM 2654 CG GLN A 169 9.232 12.159 10.425 1.00 1.20 C ATOM 2655 CD GLN A 169 9.556 13.004 11.651 1.00 1.41 C ATOM 2656 OE1 GLN A 169 8.765 13.819 12.096 1.00 2.07 O ATOM 2657 NE2 GLN A 169 10.707 12.834 12.271 1.00 1.79 N ATOM 0 H GLN A 169 9.665 10.386 7.897 1.00 1.01 H new ATOM 0 HA GLN A 169 8.534 12.995 8.053 1.00 1.04 H new ATOM 0 HB2 GLN A 169 10.909 11.518 9.212 1.00 1.06 H new ATOM 0 HB3 GLN A 169 10.801 13.256 9.410 1.00 1.06 H new ATOM 0 HG2 GLN A 169 8.223 12.398 10.089 1.00 1.20 H new ATOM 0 HG3 GLN A 169 9.231 11.107 10.712 1.00 1.20 H new ATOM 0 HE21 GLN A 169 11.383 12.158 11.916 1.00 1.79 H new ATOM 0 HE22 GLN A 169 10.922 13.379 13.106 1.00 1.79 H new ATOM 2666 N ALA A 170 11.094 12.707 6.037 1.00 1.08 N ATOM 2667 CA ALA A 170 11.774 13.385 4.928 1.00 1.19 C ATOM 2668 C ALA A 170 10.852 13.739 3.741 1.00 1.30 C ATOM 2669 O ALA A 170 11.230 14.540 2.882 1.00 1.52 O ATOM 2670 CB ALA A 170 12.928 12.488 4.476 1.00 1.24 C ATOM 0 H ALA A 170 11.338 11.720 6.116 1.00 1.08 H new ATOM 0 HA ALA A 170 12.134 14.348 5.290 1.00 1.19 H new ATOM 0 HB1 ALA A 170 13.457 12.964 3.650 1.00 1.24 H new ATOM 0 HB2 ALA A 170 13.617 12.335 5.307 1.00 1.24 H new ATOM 0 HB3 ALA A 170 12.534 11.526 4.149 1.00 1.24 H new ATOM 2676 N LEU A 171 9.683 13.096 3.659 1.00 1.16 N ATOM 2677 CA LEU A 171 8.667 13.306 2.627 1.00 1.17 C ATOM 2678 C LEU A 171 7.509 14.186 3.094 1.00 1.48 C ATOM 2679 O LEU A 171 6.852 14.774 2.235 1.00 1.76 O ATOM 2680 CB LEU A 171 8.080 11.941 2.236 1.00 1.17 C ATOM 2681 CG LEU A 171 9.038 10.992 1.500 1.00 1.24 C ATOM 2682 CD1 LEU A 171 8.286 9.667 1.326 1.00 1.43 C ATOM 2683 CD2 LEU A 171 9.493 11.571 0.154 1.00 1.54 C ATOM 0 H LEU A 171 9.409 12.386 4.338 1.00 1.16 H new ATOM 0 HA LEU A 171 9.158 13.808 1.794 1.00 1.17 H new ATOM 0 HB2 LEU A 171 7.729 11.444 3.140 1.00 1.17 H new ATOM 0 HB3 LEU A 171 7.207 12.108 1.605 1.00 1.17 H new ATOM 0 HG LEU A 171 9.954 10.845 2.073 1.00 1.24 H new ATOM 0 HD11 LEU A 171 8.924 8.952 0.806 1.00 1.43 H new ATOM 0 HD12 LEU A 171 8.018 9.269 2.305 1.00 1.43 H new ATOM 0 HD13 LEU A 171 7.381 9.836 0.743 1.00 1.43 H new ATOM 0 HD21 LEU A 171 10.169 10.869 -0.334 1.00 1.54 H new ATOM 0 HD22 LEU A 171 8.624 11.740 -0.482 1.00 1.54 H new ATOM 0 HD23 LEU A 171 10.010 12.516 0.321 1.00 1.54 H new ATOM 2695 N LEU A 172 7.248 14.208 4.409 1.00 1.28 N ATOM 2696 CA LEU A 172 6.036 14.705 5.085 1.00 1.41 C ATOM 2697 C LEU A 172 5.123 15.635 4.279 1.00 1.78 C ATOM 2698 O LEU A 172 5.390 16.842 4.093 1.00 1.94 O ATOM 2699 CB LEU A 172 6.439 15.279 6.467 1.00 1.50 C ATOM 2700 CG LEU A 172 6.032 14.413 7.670 1.00 1.81 C ATOM 2701 CD1 LEU A 172 6.554 15.053 8.956 1.00 2.33 C ATOM 2702 CD2 LEU A 172 4.520 14.264 7.823 1.00 2.11 C ATOM 2703 OXT LEU A 172 4.013 15.185 3.928 1.00 3.03 O ATOM 0 H LEU A 172 7.929 13.852 5.080 1.00 1.28 H new ATOM 0 HA LEU A 172 5.381 13.843 5.210 1.00 1.41 H new ATOM 0 HB2 LEU A 172 7.520 15.417 6.486 1.00 1.50 H new ATOM 0 HB3 LEU A 172 5.990 16.266 6.579 1.00 1.50 H new ATOM 0 HG LEU A 172 6.460 13.426 7.493 1.00 1.81 H new ATOM 0 HD11 LEU A 172 6.266 14.440 9.810 1.00 2.33 H new ATOM 0 HD12 LEU A 172 7.641 15.126 8.911 1.00 2.33 H new ATOM 0 HD13 LEU A 172 6.128 16.050 9.065 1.00 2.33 H new ATOM 0 HD21 LEU A 172 4.302 13.641 8.691 1.00 2.11 H new ATOM 0 HD22 LEU A 172 4.069 15.247 7.959 1.00 2.11 H new ATOM 0 HD23 LEU A 172 4.108 13.797 6.928 1.00 2.11 H new