USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 533 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 21 ASN : amide:sc= -0.0104 X(o=-3.7,f=-4) USER MOD Set 1.2: A 74 GLN : amide:sc= -3.69! C(o=-3.7!,f=-10!) USER MOD Set 2.1: A 39 LYS NZ :NH3+ -139:sc= 0.777! (180deg=-0.175!) USER MOD Set 2.2: A 51 THR OG1 : rot 180:sc= 0.592 USER MOD Set 3.1: A 47 LYS NZ :NH3+ -108:sc= 0.337! (180deg=-0.742) USER MOD Set 3.2: A 50 SER OG : rot 87:sc= -1.16! USER MOD Set 4.1: A 42 SER OG : rot 180:sc= 0.0846 USER MOD Set 4.2: A 44 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= -0.2 (180deg=-1.1) USER MOD Single : A 16 ASN : amide:sc= -0.578 K(o=-0.58,f=-4.9!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -3.59 X(o=-3.6,f=-4.1!) USER MOD Single : A 31 SER OG : rot 83:sc= 1.22 USER MOD Single : A 32 THR OG1 : rot 93:sc= 1.02 USER MOD Single : A 34 GLN :FLIP amide:sc= -1.79 F(o=-2.9!,f=-1.8) USER MOD Single : A 45 GLN : amide:sc= -0.881 K(o=-0.88,f=-3.4!) USER MOD Single : A 49 HIS : no HE2:sc= 0.754 K(o=0.75,f=-4.6!) USER MOD Single : A 57 LYS NZ :NH3+ 146:sc= -2.71! (180deg=-5.55!) USER MOD Single : A 70 GLN :FLIP amide:sc= -1.01 F(o=-2.2,f=-1) USER MOD Single : A 71 ASN : amide:sc= -3.38! C(o=-3.4!,f=-13!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 144 N LYS A 11 -2.392 3.265 -13.458 1.00 2.53 N ATOM 145 CA LYS A 11 -1.430 2.368 -12.771 1.00 2.17 C ATOM 146 C LYS A 11 -1.896 2.174 -11.375 1.00 1.93 C ATOM 147 O LYS A 11 -1.594 2.875 -10.438 1.00 2.11 O ATOM 148 CB LYS A 11 -0.118 3.001 -12.786 1.00 1.87 C ATOM 149 CG LYS A 11 0.996 2.076 -12.293 1.00 2.84 C ATOM 150 CD LYS A 11 2.303 2.889 -12.257 1.00 3.49 C ATOM 151 CE LYS A 11 3.512 1.964 -12.380 1.00 4.04 C ATOM 152 NZ LYS A 11 3.475 1.282 -13.695 1.00 4.03 N ATOM 0 HA LYS A 11 -1.364 1.400 -13.269 1.00 2.17 H new ATOM 0 HB2 LYS A 11 0.110 3.328 -13.801 1.00 1.87 H new ATOM 0 HB3 LYS A 11 -0.144 3.894 -12.162 1.00 1.87 H new ATOM 0 HG2 LYS A 11 0.760 1.689 -11.302 1.00 2.84 H new ATOM 0 HG3 LYS A 11 1.099 1.216 -12.955 1.00 2.84 H new ATOM 0 HD2 LYS A 11 2.309 3.615 -13.070 1.00 3.49 H new ATOM 0 HD3 LYS A 11 2.362 3.453 -11.326 1.00 3.49 H new ATOM 0 HE2 LYS A 11 4.434 2.537 -12.280 1.00 4.04 H new ATOM 0 HE3 LYS A 11 3.505 1.228 -11.576 1.00 4.04 H new ATOM 0 HZ1 LYS A 11 4.446 1.080 -14.009 1.00 4.03 H new ATOM 0 HZ2 LYS A 11 2.946 0.390 -13.609 1.00 4.03 H new ATOM 0 HZ3 LYS A 11 3.007 1.896 -14.392 1.00 4.03 H new ATOM 166 N VAL A 12 -2.591 1.166 -11.370 1.00 1.71 N ATOM 167 CA VAL A 12 -3.275 0.665 -10.143 1.00 1.54 C ATOM 168 C VAL A 12 -2.489 -0.464 -9.506 1.00 1.46 C ATOM 169 O VAL A 12 -1.874 -1.282 -10.177 1.00 1.90 O ATOM 170 CB VAL A 12 -4.704 0.189 -10.494 1.00 1.68 C ATOM 171 CG1 VAL A 12 -4.659 -0.919 -11.552 1.00 3.39 C ATOM 172 CG2 VAL A 12 -5.417 -0.318 -9.229 1.00 3.01 C ATOM 0 H VAL A 12 -2.756 0.594 -12.198 1.00 1.71 H new ATOM 0 HA VAL A 12 -3.336 1.483 -9.425 1.00 1.54 H new ATOM 0 HB VAL A 12 -5.260 1.034 -10.901 1.00 1.68 H new ATOM 0 HG11 VAL A 12 -5.674 -1.241 -11.786 1.00 3.39 H new ATOM 0 HG12 VAL A 12 -4.181 -0.540 -12.456 1.00 3.39 H new ATOM 0 HG13 VAL A 12 -4.089 -1.766 -11.168 1.00 3.39 H new ATOM 0 HG21 VAL A 12 -6.422 -0.651 -9.487 1.00 3.01 H new ATOM 0 HG22 VAL A 12 -4.857 -1.151 -8.805 1.00 3.01 H new ATOM 0 HG23 VAL A 12 -5.478 0.488 -8.498 1.00 3.01 H new ATOM 182 N PHE A 13 -2.574 -0.476 -8.212 1.00 1.17 N ATOM 183 CA PHE A 13 -1.866 -1.499 -7.420 1.00 1.16 C ATOM 184 C PHE A 13 -2.853 -2.132 -6.467 1.00 0.91 C ATOM 185 O PHE A 13 -3.682 -1.439 -5.911 1.00 0.94 O ATOM 186 CB PHE A 13 -0.775 -0.839 -6.588 1.00 1.45 C ATOM 187 CG PHE A 13 -0.053 0.192 -7.444 1.00 1.07 C ATOM 188 CD1 PHE A 13 -0.540 1.484 -7.557 1.00 1.59 C ATOM 189 CD2 PHE A 13 1.074 -0.169 -8.140 1.00 1.15 C ATOM 190 CE1 PHE A 13 0.106 2.396 -8.357 1.00 1.86 C ATOM 191 CE2 PHE A 13 1.717 0.744 -8.935 1.00 1.33 C ATOM 192 CZ PHE A 13 1.239 2.027 -9.039 1.00 1.58 C ATOM 0 H PHE A 13 -3.114 0.193 -7.663 1.00 1.17 H new ATOM 0 HA PHE A 13 -1.430 -2.240 -8.090 1.00 1.16 H new ATOM 0 HB2 PHE A 13 -1.209 -0.361 -5.709 1.00 1.45 H new ATOM 0 HB3 PHE A 13 -0.071 -1.589 -6.228 1.00 1.45 H new ATOM 0 HD1 PHE A 13 -1.428 1.775 -7.016 1.00 1.59 H new ATOM 0 HD2 PHE A 13 1.455 -1.176 -8.061 1.00 1.15 H new ATOM 0 HE1 PHE A 13 -0.277 3.402 -8.449 1.00 1.86 H new ATOM 0 HE2 PHE A 13 2.602 0.453 -9.481 1.00 1.33 H new ATOM 0 HZ PHE A 13 1.755 2.746 -9.658 1.00 1.58 H new ATOM 202 N ARG A 14 -2.711 -3.411 -6.296 1.00 0.93 N ATOM 203 CA ARG A 14 -3.590 -4.158 -5.368 1.00 1.06 C ATOM 204 C ARG A 14 -2.677 -4.908 -4.420 1.00 1.20 C ATOM 205 O ARG A 14 -1.919 -5.755 -4.842 1.00 1.67 O ATOM 206 CB ARG A 14 -4.457 -5.162 -6.133 1.00 1.22 C ATOM 207 CG ARG A 14 -5.269 -5.981 -5.115 1.00 1.60 C ATOM 208 CD ARG A 14 -6.564 -6.473 -5.760 1.00 1.56 C ATOM 209 NE ARG A 14 -6.223 -7.302 -6.952 1.00 2.14 N ATOM 210 CZ ARG A 14 -6.780 -8.453 -7.118 1.00 3.25 C ATOM 211 NH1 ARG A 14 -8.051 -8.551 -6.862 1.00 3.86 N ATOM 212 NH2 ARG A 14 -6.045 -9.435 -7.530 1.00 4.48 N ATOM 0 H ARG A 14 -2.009 -3.980 -6.770 1.00 0.93 H new ATOM 0 HA ARG A 14 -4.256 -3.476 -4.839 1.00 1.06 H new ATOM 0 HB2 ARG A 14 -5.125 -4.641 -6.819 1.00 1.22 H new ATOM 0 HB3 ARG A 14 -3.832 -5.820 -6.736 1.00 1.22 H new ATOM 0 HG2 ARG A 14 -4.681 -6.830 -4.766 1.00 1.60 H new ATOM 0 HG3 ARG A 14 -5.497 -5.370 -4.242 1.00 1.60 H new ATOM 0 HD2 ARG A 14 -7.142 -7.059 -5.046 1.00 1.56 H new ATOM 0 HD3 ARG A 14 -7.184 -5.626 -6.054 1.00 1.56 H new ATOM 0 HE ARG A 14 -5.549 -6.958 -7.636 1.00 2.14 H new ATOM 0 HH11 ARG A 14 -8.571 -7.734 -6.542 1.00 3.86 H new ATOM 0 HH12 ARG A 14 -8.528 -9.445 -6.981 1.00 3.86 H new ATOM 0 HH21 ARG A 14 -5.053 -9.287 -7.714 1.00 4.48 H new ATOM 0 HH22 ARG A 14 -6.458 -10.357 -7.670 1.00 4.48 H new ATOM 226 N VAL A 15 -2.706 -4.561 -3.183 1.00 0.93 N ATOM 227 CA VAL A 15 -1.830 -5.272 -2.220 1.00 1.06 C ATOM 228 C VAL A 15 -2.676 -6.285 -1.473 1.00 1.04 C ATOM 229 O VAL A 15 -3.889 -6.126 -1.400 1.00 1.22 O ATOM 230 CB VAL A 15 -1.231 -4.213 -1.280 1.00 1.12 C ATOM 231 CG1 VAL A 15 -0.675 -4.832 0.010 1.00 1.62 C ATOM 232 CG2 VAL A 15 -0.091 -3.508 -2.020 1.00 1.58 C ATOM 0 H VAL A 15 -3.290 -3.823 -2.790 1.00 0.93 H new ATOM 0 HA VAL A 15 -1.016 -5.808 -2.708 1.00 1.06 H new ATOM 0 HB VAL A 15 -2.022 -3.517 -1.000 1.00 1.12 H new ATOM 0 HG11 VAL A 15 -0.263 -4.046 0.642 1.00 1.62 H new ATOM 0 HG12 VAL A 15 -1.477 -5.343 0.543 1.00 1.62 H new ATOM 0 HG13 VAL A 15 0.109 -5.547 -0.238 1.00 1.62 H new ATOM 0 HG21 VAL A 15 0.350 -2.751 -1.372 1.00 1.58 H new ATOM 0 HG22 VAL A 15 0.670 -4.238 -2.296 1.00 1.58 H new ATOM 0 HG23 VAL A 15 -0.481 -3.033 -2.920 1.00 1.58 H new ATOM 242 N ASN A 16 -2.020 -7.305 -0.983 1.00 1.01 N ATOM 243 CA ASN A 16 -2.710 -8.368 -0.217 1.00 1.02 C ATOM 244 C ASN A 16 -2.182 -8.290 1.205 1.00 1.00 C ATOM 245 O ASN A 16 -1.045 -8.633 1.438 1.00 1.51 O ATOM 246 CB ASN A 16 -2.355 -9.747 -0.777 1.00 1.14 C ATOM 247 CG ASN A 16 -2.868 -9.917 -2.211 1.00 1.47 C ATOM 248 OD1 ASN A 16 -4.025 -9.704 -2.518 1.00 2.05 O ATOM 249 ND2 ASN A 16 -2.041 -10.322 -3.128 1.00 2.61 N ATOM 0 H ASN A 16 -1.015 -7.442 -1.088 1.00 1.01 H new ATOM 0 HA ASN A 16 -3.790 -8.232 -0.272 1.00 1.02 H new ATOM 0 HB2 ASN A 16 -1.274 -9.882 -0.757 1.00 1.14 H new ATOM 0 HB3 ASN A 16 -2.784 -10.521 -0.141 1.00 1.14 H new ATOM 0 HD21 ASN A 16 -2.367 -10.456 -4.085 1.00 2.61 H new ATOM 0 HD22 ASN A 16 -1.066 -10.506 -2.890 1.00 2.61 H new ATOM 256 N VAL A 17 -2.954 -7.768 2.103 1.00 1.00 N ATOM 257 CA VAL A 17 -2.466 -7.687 3.503 1.00 1.04 C ATOM 258 C VAL A 17 -2.286 -9.132 4.006 1.00 0.94 C ATOM 259 O VAL A 17 -3.152 -9.663 4.674 1.00 1.17 O ATOM 260 CB VAL A 17 -3.503 -6.926 4.354 1.00 1.12 C ATOM 261 CG1 VAL A 17 -2.823 -6.365 5.605 1.00 1.44 C ATOM 262 CG2 VAL A 17 -4.099 -5.761 3.547 1.00 1.76 C ATOM 0 H VAL A 17 -3.890 -7.397 1.936 1.00 1.00 H new ATOM 0 HA VAL A 17 -1.519 -7.152 3.572 1.00 1.04 H new ATOM 0 HB VAL A 17 -4.299 -7.615 4.637 1.00 1.12 H new ATOM 0 HG11 VAL A 17 -3.555 -5.827 6.207 1.00 1.44 H new ATOM 0 HG12 VAL A 17 -2.404 -7.184 6.190 1.00 1.44 H new ATOM 0 HG13 VAL A 17 -2.025 -5.684 5.311 1.00 1.44 H new ATOM 0 HG21 VAL A 17 -4.830 -5.231 4.158 1.00 1.76 H new ATOM 0 HG22 VAL A 17 -3.303 -5.075 3.257 1.00 1.76 H new ATOM 0 HG23 VAL A 17 -4.587 -6.150 2.653 1.00 1.76 H new ATOM 272 N GLU A 18 -1.189 -9.748 3.626 1.00 1.02 N ATOM 273 CA GLU A 18 -0.918 -11.155 4.031 1.00 1.05 C ATOM 274 C GLU A 18 -1.056 -11.324 5.542 1.00 0.99 C ATOM 275 O GLU A 18 -1.952 -12.010 6.020 1.00 1.17 O ATOM 276 CB GLU A 18 0.517 -11.532 3.621 1.00 1.27 C ATOM 277 CG GLU A 18 0.708 -11.534 2.088 1.00 1.96 C ATOM 278 CD GLU A 18 -0.157 -12.616 1.428 1.00 2.18 C ATOM 279 OE1 GLU A 18 0.350 -13.721 1.296 1.00 2.87 O ATOM 280 OE2 GLU A 18 -1.274 -12.279 1.081 1.00 3.07 O ATOM 0 H GLU A 18 -0.465 -9.325 3.045 1.00 1.02 H new ATOM 0 HA GLU A 18 -1.642 -11.802 3.536 1.00 1.05 H new ATOM 0 HB2 GLU A 18 1.218 -10.829 4.071 1.00 1.27 H new ATOM 0 HB3 GLU A 18 0.758 -12.519 4.016 1.00 1.27 H new ATOM 0 HG2 GLU A 18 0.445 -10.556 1.684 1.00 1.96 H new ATOM 0 HG3 GLU A 18 1.757 -11.706 1.849 1.00 1.96 H new ATOM 287 N ASP A 19 -0.199 -10.653 6.248 1.00 0.89 N ATOM 288 CA ASP A 19 -0.197 -10.741 7.722 1.00 0.99 C ATOM 289 C ASP A 19 -0.075 -9.312 8.247 1.00 0.87 C ATOM 290 O ASP A 19 -0.740 -8.421 7.755 1.00 1.07 O ATOM 291 CB ASP A 19 1.006 -11.620 8.149 1.00 1.23 C ATOM 292 CG ASP A 19 2.330 -10.852 7.999 1.00 1.84 C ATOM 293 OD1 ASP A 19 2.594 -10.379 6.907 1.00 3.21 O ATOM 294 OD2 ASP A 19 2.990 -10.733 9.010 1.00 2.44 O ATOM 0 H ASP A 19 0.513 -10.036 5.856 1.00 0.89 H new ATOM 0 HA ASP A 19 -1.103 -11.195 8.124 1.00 0.99 H new ATOM 0 HB2 ASP A 19 0.880 -11.937 9.184 1.00 1.23 H new ATOM 0 HB3 ASP A 19 1.035 -12.524 7.541 1.00 1.23 H new ATOM 299 N GLU A 20 0.776 -9.138 9.216 1.00 0.93 N ATOM 300 CA GLU A 20 1.021 -7.818 9.803 1.00 0.91 C ATOM 301 C GLU A 20 2.053 -7.085 8.935 1.00 0.96 C ATOM 302 O GLU A 20 1.914 -5.915 8.673 1.00 1.02 O ATOM 303 CB GLU A 20 1.604 -8.041 11.198 1.00 1.15 C ATOM 304 CG GLU A 20 0.583 -8.732 12.127 1.00 1.75 C ATOM 305 CD GLU A 20 -0.626 -7.823 12.393 1.00 2.01 C ATOM 306 OE1 GLU A 20 -0.410 -6.625 12.487 1.00 2.81 O ATOM 307 OE2 GLU A 20 -1.703 -8.381 12.506 1.00 2.90 O ATOM 0 H GLU A 20 1.325 -9.891 9.631 1.00 0.93 H new ATOM 0 HA GLU A 20 0.105 -7.230 9.858 1.00 0.91 H new ATOM 0 HB2 GLU A 20 2.504 -8.651 11.125 1.00 1.15 H new ATOM 0 HB3 GLU A 20 1.901 -7.084 11.628 1.00 1.15 H new ATOM 0 HG2 GLU A 20 0.248 -9.665 11.674 1.00 1.75 H new ATOM 0 HG3 GLU A 20 1.062 -8.990 13.071 1.00 1.75 H new ATOM 314 N ASN A 21 3.082 -7.800 8.542 1.00 1.05 N ATOM 315 CA ASN A 21 4.177 -7.193 7.697 1.00 1.19 C ATOM 316 C ASN A 21 3.635 -6.104 6.755 1.00 0.99 C ATOM 317 O ASN A 21 4.012 -4.948 6.857 1.00 0.94 O ATOM 318 CB ASN A 21 4.844 -8.314 6.893 1.00 1.46 C ATOM 319 CG ASN A 21 6.092 -7.787 6.178 1.00 1.90 C ATOM 320 OD1 ASN A 21 6.014 -7.155 5.150 1.00 3.47 O ATOM 321 ND2 ASN A 21 7.262 -8.019 6.701 1.00 2.19 N ATOM 0 H ASN A 21 3.216 -8.785 8.769 1.00 1.05 H new ATOM 0 HA ASN A 21 4.904 -6.711 8.351 1.00 1.19 H new ATOM 0 HB2 ASN A 21 5.116 -9.134 7.557 1.00 1.46 H new ATOM 0 HB3 ASN A 21 4.141 -8.715 6.163 1.00 1.46 H new ATOM 0 HD21 ASN A 21 8.104 -7.668 6.244 1.00 2.19 H new ATOM 0 HD22 ASN A 21 7.337 -8.551 7.568 1.00 2.19 H new ATOM 328 N ASP A 22 2.734 -6.485 5.886 1.00 0.99 N ATOM 329 CA ASP A 22 2.160 -5.467 4.952 1.00 0.96 C ATOM 330 C ASP A 22 1.640 -4.272 5.742 1.00 0.76 C ATOM 331 O ASP A 22 1.921 -3.147 5.434 1.00 0.92 O ATOM 332 CB ASP A 22 0.977 -6.036 4.161 1.00 1.24 C ATOM 333 CG ASP A 22 0.366 -4.909 3.310 1.00 2.95 C ATOM 334 OD1 ASP A 22 1.158 -4.252 2.652 1.00 3.63 O ATOM 335 OD2 ASP A 22 -0.839 -4.753 3.394 1.00 4.18 O ATOM 0 H ASP A 22 2.376 -7.435 5.782 1.00 0.99 H new ATOM 0 HA ASP A 22 2.957 -5.175 4.268 1.00 0.96 H new ATOM 0 HB2 ASP A 22 1.308 -6.855 3.522 1.00 1.24 H new ATOM 0 HB3 ASP A 22 0.229 -6.444 4.841 1.00 1.24 H new ATOM 340 N ILE A 23 0.884 -4.558 6.758 1.00 0.61 N ATOM 341 CA ILE A 23 0.303 -3.463 7.584 1.00 0.62 C ATOM 342 C ILE A 23 1.397 -2.537 8.117 1.00 0.66 C ATOM 343 O ILE A 23 1.278 -1.331 8.013 1.00 0.87 O ATOM 344 CB ILE A 23 -0.495 -4.103 8.731 1.00 0.68 C ATOM 345 CG1 ILE A 23 -1.653 -4.897 8.096 1.00 0.72 C ATOM 346 CG2 ILE A 23 -1.041 -3.008 9.654 1.00 1.06 C ATOM 347 CD1 ILE A 23 -2.391 -5.732 9.144 1.00 0.79 C ATOM 0 H ILE A 23 0.641 -5.503 7.056 1.00 0.61 H new ATOM 0 HA ILE A 23 -0.358 -2.847 6.974 1.00 0.62 H new ATOM 0 HB ILE A 23 0.136 -4.763 9.327 1.00 0.68 H new ATOM 0 HG12 ILE A 23 -2.350 -4.209 7.618 1.00 0.72 H new ATOM 0 HG13 ILE A 23 -1.264 -5.550 7.315 1.00 0.72 H new ATOM 0 HG21 ILE A 23 -1.606 -3.465 10.466 1.00 1.06 H new ATOM 0 HG22 ILE A 23 -0.212 -2.434 10.067 1.00 1.06 H new ATOM 0 HG23 ILE A 23 -1.694 -2.345 9.086 1.00 1.06 H new ATOM 0 HD11 ILE A 23 -3.202 -6.281 8.666 1.00 0.79 H new ATOM 0 HD12 ILE A 23 -1.697 -6.436 9.603 1.00 0.79 H new ATOM 0 HD13 ILE A 23 -2.800 -5.074 9.911 1.00 0.79 H new ATOM 359 N SER A 24 2.422 -3.125 8.670 1.00 0.65 N ATOM 360 CA SER A 24 3.543 -2.306 9.226 1.00 0.77 C ATOM 361 C SER A 24 4.245 -1.545 8.090 1.00 0.75 C ATOM 362 O SER A 24 4.244 -0.329 8.077 1.00 0.90 O ATOM 363 CB SER A 24 4.533 -3.245 9.929 1.00 0.88 C ATOM 364 OG SER A 24 3.757 -3.841 10.967 1.00 1.10 O ATOM 0 H SER A 24 2.534 -4.135 8.762 1.00 0.65 H new ATOM 0 HA SER A 24 3.158 -1.579 9.941 1.00 0.77 H new ATOM 0 HB2 SER A 24 4.928 -3.995 9.244 1.00 0.88 H new ATOM 0 HB3 SER A 24 5.386 -2.699 10.331 1.00 0.88 H new ATOM 0 HG SER A 24 4.315 -4.466 11.475 1.00 1.10 H new ATOM 370 N GLU A 25 4.811 -2.275 7.169 1.00 0.71 N ATOM 371 CA GLU A 25 5.505 -1.638 6.009 1.00 0.73 C ATOM 372 C GLU A 25 4.603 -0.594 5.316 1.00 0.74 C ATOM 373 O GLU A 25 5.043 0.493 4.997 1.00 0.89 O ATOM 374 CB GLU A 25 5.887 -2.758 5.032 1.00 0.80 C ATOM 375 CG GLU A 25 7.291 -3.321 5.360 1.00 1.15 C ATOM 376 CD GLU A 25 7.419 -3.631 6.857 1.00 1.90 C ATOM 377 OE1 GLU A 25 6.651 -4.469 7.317 1.00 3.22 O ATOM 378 OE2 GLU A 25 8.275 -3.004 7.465 1.00 2.82 O ATOM 0 H GLU A 25 4.824 -3.295 7.169 1.00 0.71 H new ATOM 0 HA GLU A 25 6.392 -1.106 6.352 1.00 0.73 H new ATOM 0 HB2 GLU A 25 5.149 -3.558 5.083 1.00 0.80 H new ATOM 0 HB3 GLU A 25 5.873 -2.376 4.011 1.00 0.80 H new ATOM 0 HG2 GLU A 25 7.469 -4.227 4.780 1.00 1.15 H new ATOM 0 HG3 GLU A 25 8.054 -2.600 5.067 1.00 1.15 H new ATOM 385 N LEU A 26 3.362 -0.940 5.090 1.00 0.71 N ATOM 386 CA LEU A 26 2.421 0.008 4.425 1.00 0.80 C ATOM 387 C LEU A 26 2.121 1.176 5.366 1.00 0.81 C ATOM 388 O LEU A 26 2.185 2.315 4.958 1.00 0.93 O ATOM 389 CB LEU A 26 1.133 -0.746 4.078 1.00 0.87 C ATOM 390 CG LEU A 26 0.431 -0.092 2.887 1.00 0.89 C ATOM 391 CD1 LEU A 26 -0.689 -1.022 2.419 1.00 2.00 C ATOM 392 CD2 LEU A 26 -0.176 1.266 3.266 1.00 2.37 C ATOM 0 H LEU A 26 2.959 -1.843 5.339 1.00 0.71 H new ATOM 0 HA LEU A 26 2.865 0.406 3.513 1.00 0.80 H new ATOM 0 HB2 LEU A 26 1.365 -1.785 3.845 1.00 0.87 H new ATOM 0 HB3 LEU A 26 0.466 -0.754 4.940 1.00 0.87 H new ATOM 0 HG LEU A 26 1.164 0.074 2.098 1.00 0.89 H new ATOM 0 HD11 LEU A 26 -1.203 -0.573 1.569 1.00 2.00 H new ATOM 0 HD12 LEU A 26 -0.265 -1.981 2.122 1.00 2.00 H new ATOM 0 HD13 LEU A 26 -1.398 -1.175 3.232 1.00 2.00 H new ATOM 0 HD21 LEU A 26 -0.666 1.701 2.395 1.00 2.37 H new ATOM 0 HD22 LEU A 26 -0.907 1.128 4.063 1.00 2.37 H new ATOM 0 HD23 LEU A 26 0.614 1.934 3.609 1.00 2.37 H new ATOM 404 N HIS A 27 1.799 0.878 6.599 1.00 0.76 N ATOM 405 CA HIS A 27 1.519 1.982 7.574 1.00 0.86 C ATOM 406 C HIS A 27 2.648 2.998 7.461 1.00 0.87 C ATOM 407 O HIS A 27 2.424 4.191 7.390 1.00 1.02 O ATOM 408 CB HIS A 27 1.461 1.414 8.999 1.00 0.90 C ATOM 409 CG HIS A 27 0.047 1.013 9.422 1.00 0.84 C ATOM 410 ND1 HIS A 27 -0.703 0.276 8.655 1.00 2.52 N ATOM 411 CD2 HIS A 27 -0.705 1.320 10.526 1.00 1.71 C ATOM 412 CE1 HIS A 27 -1.877 0.128 9.223 1.00 2.41 C ATOM 413 NE2 HIS A 27 -1.871 0.766 10.367 1.00 1.12 N ATOM 0 H HIS A 27 1.718 -0.068 6.972 1.00 0.76 H new ATOM 0 HA HIS A 27 0.561 2.454 7.355 1.00 0.86 H new ATOM 0 HB2 HIS A 27 2.115 0.545 9.065 1.00 0.90 H new ATOM 0 HB3 HIS A 27 1.847 2.157 9.697 1.00 0.90 H new ATOM 0 HD1 HIS A 27 -0.424 -0.122 7.758 1.00 2.52 H new ATOM 0 HD2 HIS A 27 -0.388 1.912 11.372 1.00 1.71 H new ATOM 0 HE1 HIS A 27 -2.709 -0.427 8.815 1.00 2.41 H new ATOM 421 N GLU A 28 3.831 2.452 7.450 1.00 0.81 N ATOM 422 CA GLU A 28 5.067 3.271 7.329 1.00 0.92 C ATOM 423 C GLU A 28 4.947 4.263 6.162 1.00 0.99 C ATOM 424 O GLU A 28 5.198 5.445 6.320 1.00 1.20 O ATOM 425 CB GLU A 28 6.235 2.298 7.087 1.00 0.93 C ATOM 426 CG GLU A 28 7.570 2.930 7.492 1.00 1.63 C ATOM 427 CD GLU A 28 7.517 3.343 8.961 1.00 2.47 C ATOM 428 OE1 GLU A 28 7.285 2.456 9.769 1.00 3.62 O ATOM 429 OE2 GLU A 28 7.685 4.526 9.184 1.00 3.06 O ATOM 0 H GLU A 28 3.996 1.448 7.522 1.00 0.81 H new ATOM 0 HA GLU A 28 5.230 3.854 8.236 1.00 0.92 H new ATOM 0 HB2 GLU A 28 6.074 1.383 7.657 1.00 0.93 H new ATOM 0 HB3 GLU A 28 6.266 2.017 6.034 1.00 0.93 H new ATOM 0 HG2 GLU A 28 8.383 2.221 7.332 1.00 1.63 H new ATOM 0 HG3 GLU A 28 7.777 3.799 6.867 1.00 1.63 H new ATOM 436 N LEU A 29 4.510 3.761 5.030 1.00 0.89 N ATOM 437 CA LEU A 29 4.372 4.622 3.805 1.00 0.99 C ATOM 438 C LEU A 29 3.087 5.473 3.851 1.00 1.06 C ATOM 439 O LEU A 29 3.133 6.678 3.663 1.00 1.44 O ATOM 440 CB LEU A 29 4.339 3.693 2.576 1.00 1.23 C ATOM 441 CG LEU A 29 4.299 4.493 1.257 1.00 1.44 C ATOM 442 CD1 LEU A 29 5.712 4.935 0.857 1.00 2.07 C ATOM 443 CD2 LEU A 29 3.729 3.599 0.149 1.00 1.74 C ATOM 0 H LEU A 29 4.241 2.786 4.899 1.00 0.89 H new ATOM 0 HA LEU A 29 5.215 5.311 3.753 1.00 0.99 H new ATOM 0 HB2 LEU A 29 5.217 3.048 2.584 1.00 1.23 H new ATOM 0 HB3 LEU A 29 3.466 3.043 2.634 1.00 1.23 H new ATOM 0 HG LEU A 29 3.674 5.375 1.397 1.00 1.44 H new ATOM 0 HD11 LEU A 29 5.667 5.498 -0.075 1.00 2.07 H new ATOM 0 HD12 LEU A 29 6.132 5.565 1.641 1.00 2.07 H new ATOM 0 HD13 LEU A 29 6.343 4.057 0.720 1.00 2.07 H new ATOM 0 HD21 LEU A 29 3.697 4.156 -0.787 1.00 1.74 H new ATOM 0 HD22 LEU A 29 4.363 2.721 0.027 1.00 1.74 H new ATOM 0 HD23 LEU A 29 2.721 3.284 0.418 1.00 1.74 H new ATOM 455 N ALA A 30 1.970 4.828 4.062 1.00 1.23 N ATOM 456 CA ALA A 30 0.676 5.570 4.117 1.00 1.59 C ATOM 457 C ALA A 30 0.732 6.700 5.145 1.00 1.66 C ATOM 458 O ALA A 30 -0.012 7.649 5.055 1.00 1.84 O ATOM 459 CB ALA A 30 -0.442 4.608 4.495 1.00 2.13 C ATOM 0 H ALA A 30 1.898 3.820 4.199 1.00 1.23 H new ATOM 0 HA ALA A 30 0.488 6.003 3.135 1.00 1.59 H new ATOM 0 HB1 ALA A 30 -1.388 5.148 4.536 1.00 2.13 H new ATOM 0 HB2 ALA A 30 -0.508 3.816 3.749 1.00 2.13 H new ATOM 0 HB3 ALA A 30 -0.231 4.171 5.471 1.00 2.13 H new ATOM 465 N SER A 31 1.565 6.548 6.131 1.00 1.92 N ATOM 466 CA SER A 31 1.669 7.622 7.154 1.00 2.35 C ATOM 467 C SER A 31 2.827 8.559 6.802 1.00 2.27 C ATOM 468 O SER A 31 2.604 9.719 6.530 1.00 2.48 O ATOM 469 CB SER A 31 1.892 6.978 8.524 1.00 3.09 C ATOM 470 OG SER A 31 0.863 5.998 8.597 1.00 3.67 O ATOM 0 H SER A 31 2.171 5.740 6.274 1.00 1.92 H new ATOM 0 HA SER A 31 0.750 8.208 7.179 1.00 2.35 H new ATOM 0 HB2 SER A 31 2.882 6.528 8.601 1.00 3.09 H new ATOM 0 HB3 SER A 31 1.810 7.708 9.330 1.00 3.09 H new ATOM 0 HG SER A 31 1.148 5.188 8.124 1.00 3.67 H new ATOM 476 N THR A 32 4.029 8.046 6.756 1.00 2.66 N ATOM 477 CA THR A 32 5.194 8.929 6.425 1.00 3.19 C ATOM 478 C THR A 32 4.975 9.684 5.103 1.00 3.04 C ATOM 479 O THR A 32 5.388 10.821 4.965 1.00 3.58 O ATOM 480 CB THR A 32 6.459 8.062 6.323 1.00 3.52 C ATOM 481 OG1 THR A 32 6.540 7.392 7.572 1.00 4.51 O ATOM 482 CG2 THR A 32 7.736 8.909 6.264 1.00 3.42 C ATOM 0 H THR A 32 4.256 7.067 6.930 1.00 2.66 H new ATOM 0 HA THR A 32 5.302 9.672 7.215 1.00 3.19 H new ATOM 0 HB THR A 32 6.394 7.432 5.436 1.00 3.52 H new ATOM 0 HG1 THR A 32 6.097 6.521 7.505 1.00 4.51 H new ATOM 0 HG21 THR A 32 8.604 8.254 6.192 1.00 3.42 H new ATOM 0 HG22 THR A 32 7.700 9.561 5.391 1.00 3.42 H new ATOM 0 HG23 THR A 32 7.812 9.515 7.167 1.00 3.42 H new ATOM 490 N ARG A 33 4.344 9.028 4.159 1.00 2.77 N ATOM 491 CA ARG A 33 4.112 9.681 2.828 1.00 3.05 C ATOM 492 C ARG A 33 2.623 9.688 2.412 1.00 2.32 C ATOM 493 O ARG A 33 2.325 9.478 1.248 1.00 2.29 O ATOM 494 CB ARG A 33 4.935 8.905 1.783 1.00 4.38 C ATOM 495 CG ARG A 33 5.352 9.846 0.640 1.00 5.41 C ATOM 496 CD ARG A 33 5.375 9.075 -0.684 1.00 6.61 C ATOM 497 NE ARG A 33 3.967 8.959 -1.168 1.00 6.47 N ATOM 498 CZ ARG A 33 3.681 9.309 -2.390 1.00 7.11 C ATOM 499 NH1 ARG A 33 3.819 8.434 -3.343 1.00 7.97 N ATOM 500 NH2 ARG A 33 3.276 10.527 -2.595 1.00 7.26 N ATOM 0 H ARG A 33 3.982 8.079 4.249 1.00 2.77 H new ATOM 0 HA ARG A 33 4.418 10.725 2.896 1.00 3.05 H new ATOM 0 HB2 ARG A 33 5.820 8.474 2.252 1.00 4.38 H new ATOM 0 HB3 ARG A 33 4.348 8.076 1.387 1.00 4.38 H new ATOM 0 HG2 ARG A 33 4.656 10.682 0.573 1.00 5.41 H new ATOM 0 HG3 ARG A 33 6.337 10.267 0.844 1.00 5.41 H new ATOM 0 HD2 ARG A 33 5.990 9.595 -1.418 1.00 6.61 H new ATOM 0 HD3 ARG A 33 5.813 8.087 -0.543 1.00 6.61 H new ATOM 0 HE ARG A 33 3.236 8.609 -0.548 1.00 6.47 H new ATOM 0 HH11 ARG A 33 4.146 7.492 -3.127 1.00 7.97 H new ATOM 0 HH12 ARG A 33 3.600 8.690 -4.306 1.00 7.97 H new ATOM 0 HH21 ARG A 33 3.191 11.175 -1.812 1.00 7.26 H new ATOM 0 HH22 ARG A 33 3.043 10.835 -3.539 1.00 7.26 H new ATOM 514 N GLN A 34 1.750 9.920 3.367 1.00 3.44 N ATOM 515 CA GLN A 34 0.250 9.978 3.128 1.00 4.11 C ATOM 516 C GLN A 34 -0.170 9.826 1.646 1.00 3.46 C ATOM 517 O GLN A 34 -0.064 10.767 0.879 1.00 3.72 O ATOM 518 CB GLN A 34 -0.251 11.329 3.683 1.00 5.55 C ATOM 519 CG GLN A 34 -1.720 11.233 4.158 1.00 6.82 C ATOM 520 CD GLN A 34 -2.725 11.178 2.995 1.00 7.58 C ATOM 521 OE1 GLN A 34 -2.365 11.509 1.794 1.00 8.83 O flip ATOM 522 NE2 GLN A 34 -3.875 10.855 3.189 1.00 7.41 N flip ATOM 0 H GLN A 34 2.016 10.078 4.339 1.00 3.44 H new ATOM 0 HA GLN A 34 -0.201 9.126 3.637 1.00 4.11 H new ATOM 0 HB2 GLN A 34 0.382 11.640 4.514 1.00 5.55 H new ATOM 0 HB3 GLN A 34 -0.165 12.095 2.912 1.00 5.55 H new ATOM 0 HG2 GLN A 34 -1.839 10.343 4.776 1.00 6.82 H new ATOM 0 HG3 GLN A 34 -1.949 12.092 4.789 1.00 6.82 H new ATOM 0 HE21 GLN A 34 -4.179 10.591 4.126 1.00 7.41 H new ATOM 0 HE22 GLN A 34 -4.540 10.847 2.415 1.00 7.41 H new ATOM 531 N ILE A 35 -0.643 8.651 1.272 1.00 2.77 N ATOM 532 CA ILE A 35 -1.088 8.442 -0.155 1.00 2.17 C ATOM 533 C ILE A 35 -2.599 8.159 -0.206 1.00 1.62 C ATOM 534 O ILE A 35 -3.204 7.760 0.771 1.00 1.96 O ATOM 535 CB ILE A 35 -0.327 7.249 -0.782 1.00 1.82 C ATOM 536 CG1 ILE A 35 1.181 7.521 -0.685 1.00 2.32 C ATOM 537 CG2 ILE A 35 -0.724 7.068 -2.268 1.00 2.01 C ATOM 538 CD1 ILE A 35 1.970 6.378 -1.333 1.00 3.03 C ATOM 0 H ILE A 35 -0.739 7.839 1.882 1.00 2.77 H new ATOM 0 HA ILE A 35 -0.870 9.349 -0.719 1.00 2.17 H new ATOM 0 HB ILE A 35 -0.584 6.337 -0.243 1.00 1.82 H new ATOM 0 HG12 ILE A 35 1.420 8.463 -1.179 1.00 2.32 H new ATOM 0 HG13 ILE A 35 1.472 7.626 0.360 1.00 2.32 H new ATOM 0 HG21 ILE A 35 -0.178 6.224 -2.690 1.00 2.01 H new ATOM 0 HG22 ILE A 35 -1.795 6.879 -2.338 1.00 2.01 H new ATOM 0 HG23 ILE A 35 -0.479 7.973 -2.823 1.00 2.01 H new ATOM 0 HD11 ILE A 35 3.038 6.584 -1.257 1.00 3.03 H new ATOM 0 HD12 ILE A 35 1.743 5.443 -0.820 1.00 3.03 H new ATOM 0 HD13 ILE A 35 1.691 6.293 -2.383 1.00 3.03 H new ATOM 550 N ASP A 36 -3.154 8.352 -1.372 1.00 1.38 N ATOM 551 CA ASP A 36 -4.610 8.118 -1.585 1.00 1.05 C ATOM 552 C ASP A 36 -4.870 6.636 -1.901 1.00 0.96 C ATOM 553 O ASP A 36 -4.218 6.044 -2.750 1.00 1.17 O ATOM 554 CB ASP A 36 -5.129 9.023 -2.736 1.00 1.38 C ATOM 555 CG ASP A 36 -4.242 9.026 -4.009 1.00 2.63 C ATOM 556 OD1 ASP A 36 -3.025 9.055 -3.876 1.00 3.91 O ATOM 557 OD2 ASP A 36 -4.835 9.109 -5.070 1.00 3.39 O ATOM 0 H ASP A 36 -2.650 8.668 -2.200 1.00 1.38 H new ATOM 0 HA ASP A 36 -5.148 8.373 -0.672 1.00 1.05 H new ATOM 0 HB2 ASP A 36 -6.133 8.699 -3.010 1.00 1.38 H new ATOM 0 HB3 ASP A 36 -5.214 10.045 -2.366 1.00 1.38 H new ATOM 562 N PHE A 37 -5.840 6.067 -1.217 1.00 0.94 N ATOM 563 CA PHE A 37 -6.164 4.617 -1.422 1.00 1.06 C ATOM 564 C PHE A 37 -7.351 4.437 -2.366 1.00 1.46 C ATOM 565 O PHE A 37 -7.846 5.387 -2.944 1.00 2.19 O ATOM 566 CB PHE A 37 -6.522 3.977 -0.066 1.00 1.10 C ATOM 567 CG PHE A 37 -5.285 3.759 0.824 1.00 0.82 C ATOM 568 CD1 PHE A 37 -4.042 4.284 0.505 1.00 1.74 C ATOM 569 CD2 PHE A 37 -5.414 3.007 1.980 1.00 1.69 C ATOM 570 CE1 PHE A 37 -2.957 4.056 1.322 1.00 1.55 C ATOM 571 CE2 PHE A 37 -4.327 2.784 2.797 1.00 2.09 C ATOM 572 CZ PHE A 37 -3.099 3.307 2.469 1.00 1.24 C ATOM 0 H PHE A 37 -6.420 6.545 -0.527 1.00 0.94 H new ATOM 0 HA PHE A 37 -5.289 4.138 -1.861 1.00 1.06 H new ATOM 0 HB2 PHE A 37 -7.235 4.615 0.457 1.00 1.10 H new ATOM 0 HB3 PHE A 37 -7.016 3.021 -0.238 1.00 1.10 H new ATOM 0 HD1 PHE A 37 -3.924 4.876 -0.391 1.00 1.74 H new ATOM 0 HD2 PHE A 37 -6.375 2.592 2.243 1.00 1.69 H new ATOM 0 HE1 PHE A 37 -1.992 4.466 1.062 1.00 1.55 H new ATOM 0 HE2 PHE A 37 -4.440 2.197 3.697 1.00 2.09 H new ATOM 0 HZ PHE A 37 -2.247 3.131 3.109 1.00 1.24 H new ATOM 582 N TRP A 38 -7.721 3.194 -2.540 1.00 1.26 N ATOM 583 CA TRP A 38 -8.875 2.839 -3.414 1.00 1.66 C ATOM 584 C TRP A 38 -9.838 1.934 -2.636 1.00 1.48 C ATOM 585 O TRP A 38 -11.029 2.171 -2.623 1.00 1.84 O ATOM 586 CB TRP A 38 -8.364 2.108 -4.671 1.00 1.99 C ATOM 587 CG TRP A 38 -8.180 2.974 -5.925 1.00 2.85 C ATOM 588 CD1 TRP A 38 -8.000 4.329 -5.960 1.00 4.00 C ATOM 589 CD2 TRP A 38 -8.201 2.604 -7.254 1.00 3.10 C ATOM 590 NE1 TRP A 38 -7.930 4.742 -7.189 1.00 4.82 N ATOM 591 CE2 TRP A 38 -8.048 3.742 -8.030 1.00 4.27 C ATOM 592 CE3 TRP A 38 -8.349 1.359 -7.842 1.00 2.76 C ATOM 593 CZ2 TRP A 38 -8.046 3.671 -9.397 1.00 4.79 C ATOM 594 CZ3 TRP A 38 -8.347 1.300 -9.231 1.00 3.32 C ATOM 595 CH2 TRP A 38 -8.197 2.444 -10.000 1.00 4.20 C ATOM 0 H TRP A 38 -7.261 2.395 -2.103 1.00 1.26 H new ATOM 0 HA TRP A 38 -9.399 3.745 -3.719 1.00 1.66 H new ATOM 0 HB2 TRP A 38 -7.408 1.642 -4.432 1.00 1.99 H new ATOM 0 HB3 TRP A 38 -9.061 1.304 -4.908 1.00 1.99 H new ATOM 0 HD1 TRP A 38 -7.927 4.965 -5.090 1.00 4.00 H new ATOM 0 HE1 TRP A 38 -7.800 5.716 -7.464 1.00 4.82 H new ATOM 0 HE3 TRP A 38 -8.462 0.467 -7.244 1.00 2.76 H new ATOM 0 HZ2 TRP A 38 -7.928 4.564 -9.993 1.00 4.79 H new ATOM 0 HZ3 TRP A 38 -8.465 0.345 -9.721 1.00 3.32 H new ATOM 0 HH2 TRP A 38 -8.199 2.371 -11.078 1.00 4.20 H new ATOM 606 N LYS A 39 -9.296 0.903 -2.027 1.00 1.16 N ATOM 607 CA LYS A 39 -10.135 -0.055 -1.234 1.00 1.10 C ATOM 608 C LYS A 39 -9.248 -0.733 -0.173 1.00 0.96 C ATOM 609 O LYS A 39 -8.383 -1.513 -0.534 1.00 1.12 O ATOM 610 CB LYS A 39 -10.693 -1.108 -2.221 1.00 1.26 C ATOM 611 CG LYS A 39 -11.724 -2.046 -1.557 1.00 2.35 C ATOM 612 CD LYS A 39 -11.058 -3.172 -0.737 1.00 4.03 C ATOM 613 CE LYS A 39 -10.175 -4.077 -1.624 1.00 4.87 C ATOM 614 NZ LYS A 39 -8.770 -4.097 -1.129 1.00 5.89 N ATOM 0 H LYS A 39 -8.300 0.683 -2.046 1.00 1.16 H new ATOM 0 HA LYS A 39 -10.955 0.455 -0.728 1.00 1.10 H new ATOM 0 HB2 LYS A 39 -11.159 -0.600 -3.066 1.00 1.26 H new ATOM 0 HB3 LYS A 39 -9.870 -1.701 -2.620 1.00 1.26 H new ATOM 0 HG2 LYS A 39 -12.374 -1.462 -0.905 1.00 2.35 H new ATOM 0 HG3 LYS A 39 -12.357 -2.487 -2.327 1.00 2.35 H new ATOM 0 HD2 LYS A 39 -10.451 -2.735 0.056 1.00 4.03 H new ATOM 0 HD3 LYS A 39 -11.827 -3.774 -0.254 1.00 4.03 H new ATOM 0 HE2 LYS A 39 -10.577 -5.090 -1.631 1.00 4.87 H new ATOM 0 HE3 LYS A 39 -10.197 -3.718 -2.653 1.00 4.87 H new ATOM 0 HZ1 LYS A 39 -8.117 -4.058 -1.937 1.00 5.89 H new ATOM 0 HZ2 LYS A 39 -8.607 -3.275 -0.513 1.00 5.89 H new ATOM 0 HZ3 LYS A 39 -8.604 -4.972 -0.591 1.00 5.89 H new ATOM 628 N PRO A 40 -9.475 -0.506 1.107 1.00 1.21 N ATOM 629 CA PRO A 40 -10.557 0.356 1.659 1.00 1.54 C ATOM 630 C PRO A 40 -10.272 1.856 1.447 1.00 2.01 C ATOM 631 O PRO A 40 -9.785 2.256 0.404 1.00 2.84 O ATOM 632 CB PRO A 40 -10.591 -0.017 3.159 1.00 2.14 C ATOM 633 CG PRO A 40 -9.748 -1.299 3.307 1.00 1.92 C ATOM 634 CD PRO A 40 -8.736 -1.243 2.160 1.00 1.64 C ATOM 0 HA PRO A 40 -11.513 0.191 1.162 1.00 1.54 H new ATOM 0 HB2 PRO A 40 -10.183 0.789 3.769 1.00 2.14 H new ATOM 0 HB3 PRO A 40 -11.614 -0.184 3.495 1.00 2.14 H new ATOM 0 HG2 PRO A 40 -9.247 -1.332 4.274 1.00 1.92 H new ATOM 0 HG3 PRO A 40 -10.371 -2.191 3.240 1.00 1.92 H new ATOM 0 HD2 PRO A 40 -7.822 -0.725 2.451 1.00 1.64 H new ATOM 0 HD3 PRO A 40 -8.445 -2.240 1.828 1.00 1.64 H new ATOM 642 N ASP A 41 -10.581 2.648 2.438 1.00 2.03 N ATOM 643 CA ASP A 41 -10.354 4.120 2.316 1.00 2.72 C ATOM 644 C ASP A 41 -9.095 4.595 3.067 1.00 2.43 C ATOM 645 O ASP A 41 -8.326 5.375 2.543 1.00 2.93 O ATOM 646 CB ASP A 41 -11.581 4.835 2.899 1.00 3.57 C ATOM 647 CG ASP A 41 -11.590 4.695 4.425 1.00 3.70 C ATOM 648 OD1 ASP A 41 -11.575 3.550 4.868 1.00 3.53 O ATOM 649 OD2 ASP A 41 -11.565 5.730 5.065 1.00 4.80 O ATOM 0 H ASP A 41 -10.980 2.342 3.325 1.00 2.03 H new ATOM 0 HA ASP A 41 -10.205 4.354 1.262 1.00 2.72 H new ATOM 0 HB2 ASP A 41 -11.564 5.889 2.622 1.00 3.57 H new ATOM 0 HB3 ASP A 41 -12.493 4.410 2.481 1.00 3.57 H new ATOM 654 N SER A 42 -8.915 4.131 4.273 1.00 2.05 N ATOM 655 CA SER A 42 -7.736 4.577 5.080 1.00 2.02 C ATOM 656 C SER A 42 -6.720 3.445 5.306 1.00 1.86 C ATOM 657 O SER A 42 -6.849 2.362 4.760 1.00 2.52 O ATOM 658 CB SER A 42 -8.276 5.086 6.424 1.00 2.22 C ATOM 659 OG SER A 42 -7.150 5.650 7.094 1.00 3.29 O ATOM 0 H SER A 42 -9.531 3.463 4.737 1.00 2.05 H new ATOM 0 HA SER A 42 -7.202 5.360 4.541 1.00 2.02 H new ATOM 0 HB2 SER A 42 -9.059 5.830 6.277 1.00 2.22 H new ATOM 0 HB3 SER A 42 -8.713 4.274 7.005 1.00 2.22 H new ATOM 0 HG SER A 42 -7.429 5.998 7.966 1.00 3.29 H new ATOM 665 N VAL A 43 -5.755 3.720 6.147 1.00 1.58 N ATOM 666 CA VAL A 43 -4.687 2.717 6.455 1.00 1.42 C ATOM 667 C VAL A 43 -4.949 2.066 7.818 1.00 1.17 C ATOM 668 O VAL A 43 -4.484 0.973 8.079 1.00 1.37 O ATOM 669 CB VAL A 43 -3.319 3.442 6.405 1.00 1.68 C ATOM 670 CG1 VAL A 43 -3.320 4.677 7.320 1.00 2.05 C ATOM 671 CG2 VAL A 43 -2.190 2.502 6.843 1.00 1.97 C ATOM 0 H VAL A 43 -5.660 4.608 6.640 1.00 1.58 H new ATOM 0 HA VAL A 43 -4.686 1.912 5.720 1.00 1.42 H new ATOM 0 HB VAL A 43 -3.153 3.755 5.374 1.00 1.68 H new ATOM 0 HG11 VAL A 43 -2.349 5.169 7.268 1.00 2.05 H new ATOM 0 HG12 VAL A 43 -4.096 5.370 6.995 1.00 2.05 H new ATOM 0 HG13 VAL A 43 -3.516 4.369 8.347 1.00 2.05 H new ATOM 0 HG21 VAL A 43 -1.238 3.032 6.800 1.00 1.97 H new ATOM 0 HG22 VAL A 43 -2.372 2.165 7.863 1.00 1.97 H new ATOM 0 HG23 VAL A 43 -2.155 1.640 6.177 1.00 1.97 H new ATOM 681 N THR A 44 -5.712 2.733 8.647 1.00 1.33 N ATOM 682 CA THR A 44 -6.041 2.155 9.985 1.00 1.34 C ATOM 683 C THR A 44 -7.388 1.416 9.917 1.00 1.68 C ATOM 684 O THR A 44 -7.958 1.040 10.923 1.00 2.40 O ATOM 685 CB THR A 44 -6.106 3.295 11.003 1.00 1.80 C ATOM 686 OG1 THR A 44 -6.619 4.403 10.270 1.00 2.25 O ATOM 687 CG2 THR A 44 -4.706 3.738 11.445 1.00 2.45 C ATOM 0 H THR A 44 -6.119 3.648 8.456 1.00 1.33 H new ATOM 0 HA THR A 44 -5.275 1.440 10.286 1.00 1.34 H new ATOM 0 HB THR A 44 -6.686 2.982 11.871 1.00 1.80 H new ATOM 0 HG1 THR A 44 -6.692 5.181 10.862 1.00 2.25 H new ATOM 0 HG21 THR A 44 -4.792 4.549 12.168 1.00 2.45 H new ATOM 0 HG22 THR A 44 -4.186 2.897 11.904 1.00 2.45 H new ATOM 0 HG23 THR A 44 -4.143 4.083 10.578 1.00 2.45 H new ATOM 695 N GLN A 45 -7.873 1.251 8.714 1.00 1.93 N ATOM 696 CA GLN A 45 -9.150 0.519 8.488 1.00 2.66 C ATOM 697 C GLN A 45 -8.788 -0.753 7.712 1.00 2.34 C ATOM 698 O GLN A 45 -9.463 -1.140 6.774 1.00 3.01 O ATOM 699 CB GLN A 45 -10.070 1.400 7.626 1.00 3.64 C ATOM 700 CG GLN A 45 -11.525 1.300 8.094 1.00 3.73 C ATOM 701 CD GLN A 45 -11.979 -0.166 8.214 1.00 3.82 C ATOM 702 OE1 GLN A 45 -11.603 -0.859 9.130 1.00 4.06 O ATOM 703 NE2 GLN A 45 -12.778 -0.684 7.326 1.00 4.75 N ATOM 0 H GLN A 45 -7.428 1.600 7.865 1.00 1.93 H new ATOM 0 HA GLN A 45 -9.656 0.279 9.423 1.00 2.66 H new ATOM 0 HB2 GLN A 45 -9.739 2.437 7.678 1.00 3.64 H new ATOM 0 HB3 GLN A 45 -9.998 1.094 6.582 1.00 3.64 H new ATOM 0 HG2 GLN A 45 -11.633 1.796 9.059 1.00 3.73 H new ATOM 0 HG3 GLN A 45 -12.171 1.826 7.391 1.00 3.73 H new ATOM 0 HE21 GLN A 45 -13.108 -0.117 6.545 1.00 4.75 H new ATOM 0 HE22 GLN A 45 -13.074 -1.656 7.412 1.00 4.75 H new ATOM 712 N ILE A 46 -7.688 -1.344 8.084 1.00 1.57 N ATOM 713 CA ILE A 46 -7.230 -2.571 7.376 1.00 1.29 C ATOM 714 C ILE A 46 -6.891 -3.687 8.361 1.00 1.29 C ATOM 715 O ILE A 46 -6.457 -3.437 9.468 1.00 1.43 O ATOM 716 CB ILE A 46 -5.978 -2.196 6.544 1.00 1.05 C ATOM 717 CG1 ILE A 46 -6.403 -1.349 5.332 1.00 1.50 C ATOM 718 CG2 ILE A 46 -5.253 -3.469 6.070 1.00 1.02 C ATOM 719 CD1 ILE A 46 -5.160 -0.873 4.570 1.00 2.60 C ATOM 0 H ILE A 46 -7.087 -1.031 8.846 1.00 1.57 H new ATOM 0 HA ILE A 46 -8.028 -2.941 6.732 1.00 1.29 H new ATOM 0 HB ILE A 46 -5.294 -1.619 7.166 1.00 1.05 H new ATOM 0 HG12 ILE A 46 -7.042 -1.936 4.673 1.00 1.50 H new ATOM 0 HG13 ILE A 46 -6.988 -0.491 5.663 1.00 1.50 H new ATOM 0 HG21 ILE A 46 -4.375 -3.192 5.486 1.00 1.02 H new ATOM 0 HG22 ILE A 46 -4.943 -4.055 6.935 1.00 1.02 H new ATOM 0 HG23 ILE A 46 -5.927 -4.063 5.452 1.00 1.02 H new ATOM 0 HD11 ILE A 46 -5.466 -0.274 3.713 1.00 2.60 H new ATOM 0 HD12 ILE A 46 -4.537 -0.270 5.231 1.00 2.60 H new ATOM 0 HD13 ILE A 46 -4.592 -1.737 4.225 1.00 2.60 H new ATOM 731 N LYS A 47 -7.086 -4.899 7.910 1.00 1.25 N ATOM 732 CA LYS A 47 -6.767 -6.089 8.751 1.00 1.31 C ATOM 733 C LYS A 47 -5.860 -7.029 7.936 1.00 1.08 C ATOM 734 O LYS A 47 -5.843 -6.953 6.715 1.00 0.99 O ATOM 735 CB LYS A 47 -8.060 -6.831 9.152 1.00 1.61 C ATOM 736 CG LYS A 47 -9.026 -6.909 7.957 1.00 3.13 C ATOM 737 CD LYS A 47 -10.134 -7.948 8.219 1.00 4.50 C ATOM 738 CE LYS A 47 -9.599 -9.383 8.051 1.00 5.67 C ATOM 739 NZ LYS A 47 -9.140 -9.622 6.647 1.00 6.92 N ATOM 0 H LYS A 47 -7.457 -5.116 6.985 1.00 1.25 H new ATOM 0 HA LYS A 47 -6.262 -5.768 9.662 1.00 1.31 H new ATOM 0 HB2 LYS A 47 -7.818 -7.836 9.498 1.00 1.61 H new ATOM 0 HB3 LYS A 47 -8.540 -6.315 9.983 1.00 1.61 H new ATOM 0 HG2 LYS A 47 -9.473 -5.931 7.780 1.00 3.13 H new ATOM 0 HG3 LYS A 47 -8.476 -7.176 7.055 1.00 3.13 H new ATOM 0 HD2 LYS A 47 -10.527 -7.819 9.227 1.00 4.50 H new ATOM 0 HD3 LYS A 47 -10.962 -7.782 7.530 1.00 4.50 H new ATOM 0 HE2 LYS A 47 -8.772 -9.550 8.741 1.00 5.67 H new ATOM 0 HE3 LYS A 47 -10.379 -10.099 8.309 1.00 5.67 H new ATOM 0 HZ1 LYS A 47 -9.812 -10.253 6.165 1.00 6.92 H new ATOM 0 HZ2 LYS A 47 -9.090 -8.716 6.139 1.00 6.92 H new ATOM 0 HZ3 LYS A 47 -8.198 -10.064 6.660 1.00 6.92 H new ATOM 753 N PRO A 48 -5.159 -7.912 8.620 1.00 1.16 N ATOM 754 CA PRO A 48 -4.399 -9.007 7.963 1.00 1.11 C ATOM 755 C PRO A 48 -5.275 -9.799 6.992 1.00 1.01 C ATOM 756 O PRO A 48 -6.470 -9.588 6.927 1.00 1.14 O ATOM 757 CB PRO A 48 -3.927 -9.882 9.128 1.00 1.33 C ATOM 758 CG PRO A 48 -3.932 -8.961 10.363 1.00 1.51 C ATOM 759 CD PRO A 48 -5.013 -7.905 10.101 1.00 1.45 C ATOM 0 HA PRO A 48 -3.573 -8.632 7.359 1.00 1.11 H new ATOM 0 HB2 PRO A 48 -4.590 -10.735 9.272 1.00 1.33 H new ATOM 0 HB3 PRO A 48 -2.930 -10.281 8.940 1.00 1.33 H new ATOM 0 HG2 PRO A 48 -4.150 -9.526 11.269 1.00 1.51 H new ATOM 0 HG3 PRO A 48 -2.957 -8.494 10.505 1.00 1.51 H new ATOM 0 HD2 PRO A 48 -5.950 -8.159 10.597 1.00 1.45 H new ATOM 0 HD3 PRO A 48 -4.713 -6.924 10.469 1.00 1.45 H new ATOM 767 N HIS A 49 -4.657 -10.704 6.283 1.00 1.10 N ATOM 768 CA HIS A 49 -5.387 -11.556 5.292 1.00 1.26 C ATOM 769 C HIS A 49 -6.458 -10.728 4.554 1.00 1.14 C ATOM 770 O HIS A 49 -7.630 -11.065 4.547 1.00 1.33 O ATOM 771 CB HIS A 49 -6.035 -12.734 6.044 1.00 1.52 C ATOM 772 CG HIS A 49 -5.276 -13.158 7.307 1.00 1.73 C ATOM 773 ND1 HIS A 49 -3.970 -13.232 7.342 1.00 2.95 N ATOM 774 CD2 HIS A 49 -5.719 -13.525 8.551 1.00 2.10 C ATOM 775 CE1 HIS A 49 -3.604 -13.628 8.539 1.00 3.33 C ATOM 776 NE2 HIS A 49 -4.675 -13.803 9.271 1.00 2.58 N ATOM 0 H HIS A 49 -3.657 -10.895 6.348 1.00 1.10 H new ATOM 0 HA HIS A 49 -4.689 -11.936 4.546 1.00 1.26 H new ATOM 0 HB2 HIS A 49 -7.054 -12.460 6.319 1.00 1.52 H new ATOM 0 HB3 HIS A 49 -6.105 -13.588 5.370 1.00 1.52 H new ATOM 0 HD1 HIS A 49 -3.341 -13.018 6.568 1.00 2.95 H new ATOM 0 HD2 HIS A 49 -6.749 -13.574 8.873 1.00 2.10 H new ATOM 0 HE1 HIS A 49 -2.587 -13.784 8.866 1.00 3.33 H new ATOM 784 N SER A 50 -6.022 -9.633 3.990 1.00 0.99 N ATOM 785 CA SER A 50 -6.955 -8.730 3.232 1.00 1.04 C ATOM 786 C SER A 50 -6.245 -8.179 2.004 1.00 1.08 C ATOM 787 O SER A 50 -5.200 -8.651 1.632 1.00 1.88 O ATOM 788 CB SER A 50 -7.355 -7.535 4.098 1.00 1.04 C ATOM 789 OG SER A 50 -7.851 -8.114 5.276 1.00 1.93 O ATOM 0 H SER A 50 -5.052 -9.318 4.019 1.00 0.99 H new ATOM 0 HA SER A 50 -7.835 -9.309 2.951 1.00 1.04 H new ATOM 0 HB2 SER A 50 -6.502 -6.887 4.301 1.00 1.04 H new ATOM 0 HB3 SER A 50 -8.111 -6.922 3.607 1.00 1.04 H new ATOM 0 HG SER A 50 -7.110 -8.281 5.896 1.00 1.93 H new ATOM 795 N THR A 51 -6.853 -7.216 1.370 1.00 0.89 N ATOM 796 CA THR A 51 -6.205 -6.585 0.202 1.00 0.90 C ATOM 797 C THR A 51 -6.405 -5.072 0.306 1.00 0.96 C ATOM 798 O THR A 51 -7.452 -4.618 0.754 1.00 1.18 O ATOM 799 CB THR A 51 -6.820 -7.101 -1.106 1.00 1.17 C ATOM 800 OG1 THR A 51 -8.200 -6.767 -1.031 1.00 2.15 O ATOM 801 CG2 THR A 51 -6.781 -8.633 -1.198 1.00 1.69 C ATOM 0 H THR A 51 -7.770 -6.843 1.615 1.00 0.89 H new ATOM 0 HA THR A 51 -5.143 -6.832 0.195 1.00 0.90 H new ATOM 0 HB THR A 51 -6.277 -6.675 -1.949 1.00 1.17 H new ATOM 0 HG1 THR A 51 -8.655 -7.070 -1.844 1.00 2.15 H new ATOM 0 HG21 THR A 51 -7.227 -8.952 -2.140 1.00 1.69 H new ATOM 0 HG22 THR A 51 -5.747 -8.974 -1.152 1.00 1.69 H new ATOM 0 HG23 THR A 51 -7.342 -9.062 -0.367 1.00 1.69 H new ATOM 809 N VAL A 52 -5.400 -4.329 -0.032 1.00 0.96 N ATOM 810 CA VAL A 52 -5.528 -2.844 0.005 1.00 1.11 C ATOM 811 C VAL A 52 -5.043 -2.317 -1.348 1.00 1.20 C ATOM 812 O VAL A 52 -3.917 -2.549 -1.741 1.00 1.53 O ATOM 813 CB VAL A 52 -4.740 -2.262 1.201 1.00 1.29 C ATOM 814 CG1 VAL A 52 -3.312 -2.815 1.269 1.00 3.07 C ATOM 815 CG2 VAL A 52 -4.679 -0.734 1.067 1.00 2.26 C ATOM 0 H VAL A 52 -4.491 -4.680 -0.334 1.00 0.96 H new ATOM 0 HA VAL A 52 -6.561 -2.532 0.158 1.00 1.11 H new ATOM 0 HB VAL A 52 -5.257 -2.551 2.116 1.00 1.29 H new ATOM 0 HG11 VAL A 52 -2.794 -2.380 2.124 1.00 3.07 H new ATOM 0 HG12 VAL A 52 -3.346 -3.899 1.379 1.00 3.07 H new ATOM 0 HG13 VAL A 52 -2.779 -2.560 0.353 1.00 3.07 H new ATOM 0 HG21 VAL A 52 -4.124 -0.317 1.908 1.00 2.26 H new ATOM 0 HG22 VAL A 52 -4.179 -0.470 0.135 1.00 2.26 H new ATOM 0 HG23 VAL A 52 -5.691 -0.328 1.063 1.00 2.26 H new ATOM 825 N ASP A 53 -5.919 -1.639 -2.039 1.00 1.04 N ATOM 826 CA ASP A 53 -5.555 -1.113 -3.390 1.00 1.21 C ATOM 827 C ASP A 53 -5.389 0.405 -3.348 1.00 1.11 C ATOM 828 O ASP A 53 -5.993 1.065 -2.510 1.00 1.23 O ATOM 829 CB ASP A 53 -6.686 -1.447 -4.375 1.00 1.44 C ATOM 830 CG ASP A 53 -6.954 -2.948 -4.448 1.00 2.19 C ATOM 831 OD1 ASP A 53 -7.320 -3.503 -3.424 1.00 2.99 O ATOM 832 OD2 ASP A 53 -6.814 -3.447 -5.537 1.00 3.04 O ATOM 0 H ASP A 53 -6.867 -1.426 -1.730 1.00 1.04 H new ATOM 0 HA ASP A 53 -4.616 -1.570 -3.703 1.00 1.21 H new ATOM 0 HB2 ASP A 53 -7.596 -0.930 -4.071 1.00 1.44 H new ATOM 0 HB3 ASP A 53 -6.425 -1.076 -5.366 1.00 1.44 H new ATOM 837 N PHE A 54 -4.596 0.936 -4.258 1.00 1.07 N ATOM 838 CA PHE A 54 -4.387 2.421 -4.289 1.00 1.10 C ATOM 839 C PHE A 54 -4.291 3.008 -5.713 1.00 1.15 C ATOM 840 O PHE A 54 -4.093 2.305 -6.687 1.00 1.66 O ATOM 841 CB PHE A 54 -3.118 2.818 -3.494 1.00 1.42 C ATOM 842 CG PHE A 54 -2.047 1.712 -3.500 1.00 1.14 C ATOM 843 CD1 PHE A 54 -2.240 0.570 -2.752 1.00 1.38 C ATOM 844 CD2 PHE A 54 -0.853 1.862 -4.194 1.00 1.80 C ATOM 845 CE1 PHE A 54 -1.274 -0.403 -2.686 1.00 1.97 C ATOM 846 CE2 PHE A 54 0.122 0.884 -4.124 1.00 2.30 C ATOM 847 CZ PHE A 54 -0.091 -0.249 -3.366 1.00 2.31 C ATOM 0 H PHE A 54 -4.091 0.410 -4.971 1.00 1.07 H new ATOM 0 HA PHE A 54 -5.277 2.845 -3.823 1.00 1.10 H new ATOM 0 HB2 PHE A 54 -2.697 3.729 -3.920 1.00 1.42 H new ATOM 0 HB3 PHE A 54 -3.395 3.045 -2.465 1.00 1.42 H new ATOM 0 HD1 PHE A 54 -3.165 0.439 -2.210 1.00 1.38 H new ATOM 0 HD2 PHE A 54 -0.686 2.746 -4.791 1.00 1.80 H new ATOM 0 HE1 PHE A 54 -1.445 -1.292 -2.098 1.00 1.97 H new ATOM 0 HE2 PHE A 54 1.050 1.007 -4.663 1.00 2.30 H new ATOM 0 HZ PHE A 54 0.671 -1.013 -3.308 1.00 2.31 H new ATOM 857 N ARG A 55 -4.448 4.317 -5.713 1.00 1.15 N ATOM 858 CA ARG A 55 -4.413 5.243 -6.915 1.00 1.46 C ATOM 859 C ARG A 55 -3.691 4.828 -8.216 1.00 2.00 C ATOM 860 O ARG A 55 -2.855 3.957 -8.249 1.00 3.13 O ATOM 861 CB ARG A 55 -3.769 6.552 -6.446 1.00 2.50 C ATOM 862 CG ARG A 55 -2.490 6.300 -5.603 1.00 4.19 C ATOM 863 CD ARG A 55 -1.553 5.285 -6.282 1.00 5.71 C ATOM 864 NE ARG A 55 -0.268 5.193 -5.524 1.00 7.20 N ATOM 865 CZ ARG A 55 0.865 5.282 -6.153 1.00 8.58 C ATOM 866 NH1 ARG A 55 1.391 4.193 -6.638 1.00 9.82 N ATOM 867 NH2 ARG A 55 1.403 6.443 -6.266 1.00 9.11 N ATOM 0 H ARG A 55 -4.615 4.828 -4.846 1.00 1.15 H new ATOM 0 HA ARG A 55 -5.458 5.273 -7.224 1.00 1.46 H new ATOM 0 HB2 ARG A 55 -3.518 7.164 -7.313 1.00 2.50 H new ATOM 0 HB3 ARG A 55 -4.488 7.118 -5.854 1.00 2.50 H new ATOM 0 HG2 ARG A 55 -1.961 7.241 -5.454 1.00 4.19 H new ATOM 0 HG3 ARG A 55 -2.771 5.933 -4.616 1.00 4.19 H new ATOM 0 HD2 ARG A 55 -2.032 4.307 -6.324 1.00 5.71 H new ATOM 0 HD3 ARG A 55 -1.358 5.589 -7.311 1.00 5.71 H new ATOM 0 HE ARG A 55 -0.281 5.060 -4.513 1.00 7.20 H new ATOM 0 HH11 ARG A 55 0.914 3.299 -6.519 1.00 9.82 H new ATOM 0 HH12 ARG A 55 2.280 4.234 -7.136 1.00 9.82 H new ATOM 0 HH21 ARG A 55 0.941 7.260 -5.868 1.00 9.11 H new ATOM 0 HH22 ARG A 55 2.293 6.548 -6.754 1.00 9.11 H new ATOM 881 N VAL A 56 -4.037 5.560 -9.269 1.00 2.41 N ATOM 882 CA VAL A 56 -3.458 5.383 -10.602 1.00 3.60 C ATOM 883 C VAL A 56 -3.049 6.768 -11.149 1.00 3.11 C ATOM 884 O VAL A 56 -3.314 7.125 -12.280 1.00 3.67 O ATOM 885 CB VAL A 56 -4.535 4.753 -11.472 1.00 5.19 C ATOM 886 CG1 VAL A 56 -4.999 3.439 -10.860 1.00 6.41 C ATOM 887 CG2 VAL A 56 -5.756 5.678 -11.612 1.00 5.90 C ATOM 0 H VAL A 56 -4.735 6.302 -9.224 1.00 2.41 H new ATOM 0 HA VAL A 56 -2.573 4.746 -10.585 1.00 3.60 H new ATOM 0 HB VAL A 56 -4.099 4.583 -12.457 1.00 5.19 H new ATOM 0 HG11 VAL A 56 -5.770 2.996 -11.491 1.00 6.41 H new ATOM 0 HG12 VAL A 56 -4.154 2.754 -10.785 1.00 6.41 H new ATOM 0 HG13 VAL A 56 -5.406 3.624 -9.866 1.00 6.41 H new ATOM 0 HG21 VAL A 56 -6.506 5.197 -12.240 1.00 5.90 H new ATOM 0 HG22 VAL A 56 -6.179 5.874 -10.627 1.00 5.90 H new ATOM 0 HG23 VAL A 56 -5.449 6.619 -12.069 1.00 5.90 H new ATOM 897 N LYS A 57 -2.425 7.534 -10.302 1.00 2.47 N ATOM 898 CA LYS A 57 -1.975 8.903 -10.714 1.00 2.10 C ATOM 899 C LYS A 57 -0.567 8.816 -11.299 1.00 1.92 C ATOM 900 O LYS A 57 -0.119 7.732 -11.614 1.00 2.83 O ATOM 901 CB LYS A 57 -1.951 9.808 -9.482 1.00 2.27 C ATOM 902 CG LYS A 57 -3.302 10.501 -9.284 1.00 3.45 C ATOM 903 CD LYS A 57 -3.169 11.572 -8.184 1.00 3.40 C ATOM 904 CE LYS A 57 -3.569 10.989 -6.826 1.00 4.25 C ATOM 905 NZ LYS A 57 -2.687 9.860 -6.421 1.00 4.88 N ATOM 0 H LYS A 57 -2.204 7.277 -9.340 1.00 2.47 H new ATOM 0 HA LYS A 57 -2.658 9.308 -11.461 1.00 2.10 H new ATOM 0 HB2 LYS A 57 -1.708 9.219 -8.598 1.00 2.27 H new ATOM 0 HB3 LYS A 57 -1.167 10.557 -9.592 1.00 2.27 H new ATOM 0 HG2 LYS A 57 -3.628 10.960 -10.217 1.00 3.45 H new ATOM 0 HG3 LYS A 57 -4.061 9.770 -9.006 1.00 3.45 H new ATOM 0 HD2 LYS A 57 -2.142 11.936 -8.143 1.00 3.40 H new ATOM 0 HD3 LYS A 57 -3.801 12.427 -8.421 1.00 3.40 H new ATOM 0 HE2 LYS A 57 -3.526 11.772 -6.069 1.00 4.25 H new ATOM 0 HE3 LYS A 57 -4.602 10.644 -6.870 1.00 4.25 H new ATOM 0 HZ1 LYS A 57 -2.569 9.865 -5.388 1.00 4.88 H new ATOM 0 HZ2 LYS A 57 -3.117 8.960 -6.716 1.00 4.88 H new ATOM 0 HZ3 LYS A 57 -1.758 9.965 -6.876 1.00 4.88 H new ATOM 919 N ALA A 58 0.075 9.949 -11.458 1.00 1.72 N ATOM 920 CA ALA A 58 1.461 9.974 -12.018 1.00 1.65 C ATOM 921 C ALA A 58 2.386 10.756 -11.074 1.00 1.76 C ATOM 922 O ALA A 58 3.406 10.255 -10.626 1.00 2.08 O ATOM 923 CB ALA A 58 1.429 10.651 -13.390 1.00 1.92 C ATOM 0 H ALA A 58 -0.307 10.865 -11.221 1.00 1.72 H new ATOM 0 HA ALA A 58 1.837 8.956 -12.119 1.00 1.65 H new ATOM 0 HB1 ALA A 58 2.436 10.675 -13.808 1.00 1.92 H new ATOM 0 HB2 ALA A 58 0.773 10.092 -14.057 1.00 1.92 H new ATOM 0 HB3 ALA A 58 1.056 11.670 -13.284 1.00 1.92 H new ATOM 929 N GLU A 59 2.000 11.971 -10.805 1.00 2.33 N ATOM 930 CA GLU A 59 2.792 12.868 -9.907 1.00 2.74 C ATOM 931 C GLU A 59 3.227 12.167 -8.611 1.00 2.75 C ATOM 932 O GLU A 59 4.280 12.467 -8.087 1.00 3.20 O ATOM 933 CB GLU A 59 1.964 14.116 -9.529 1.00 3.40 C ATOM 934 CG GLU A 59 0.921 14.446 -10.612 1.00 4.04 C ATOM 935 CD GLU A 59 -0.371 13.663 -10.318 1.00 4.36 C ATOM 936 OE1 GLU A 59 -1.017 14.035 -9.354 1.00 4.83 O ATOM 937 OE2 GLU A 59 -0.620 12.713 -11.049 1.00 4.88 O ATOM 0 H GLU A 59 1.149 12.393 -11.177 1.00 2.33 H new ATOM 0 HA GLU A 59 3.685 13.151 -10.464 1.00 2.74 H new ATOM 0 HB2 GLU A 59 1.461 13.946 -8.577 1.00 3.40 H new ATOM 0 HB3 GLU A 59 2.630 14.968 -9.391 1.00 3.40 H new ATOM 0 HG2 GLU A 59 0.718 15.517 -10.625 1.00 4.04 H new ATOM 0 HG3 GLU A 59 1.305 14.182 -11.597 1.00 4.04 H new ATOM 944 N ASP A 60 2.416 11.270 -8.094 1.00 2.79 N ATOM 945 CA ASP A 60 2.800 10.576 -6.811 1.00 3.27 C ATOM 946 C ASP A 60 3.196 9.111 -7.019 1.00 2.79 C ATOM 947 O ASP A 60 3.068 8.306 -6.098 1.00 3.45 O ATOM 948 CB ASP A 60 1.603 10.623 -5.843 1.00 4.23 C ATOM 949 CG ASP A 60 0.402 9.890 -6.455 1.00 5.31 C ATOM 950 OD1 ASP A 60 -0.088 10.393 -7.439 1.00 6.13 O ATOM 951 OD2 ASP A 60 0.029 8.861 -5.911 1.00 5.98 O ATOM 0 H ASP A 60 1.520 10.990 -8.493 1.00 2.79 H new ATOM 0 HA ASP A 60 3.668 11.099 -6.409 1.00 3.27 H new ATOM 0 HB2 ASP A 60 1.875 10.162 -4.893 1.00 4.23 H new ATOM 0 HB3 ASP A 60 1.337 11.659 -5.631 1.00 4.23 H new ATOM 956 N ILE A 61 3.728 8.792 -8.170 1.00 1.83 N ATOM 957 CA ILE A 61 4.137 7.364 -8.436 1.00 1.50 C ATOM 958 C ILE A 61 5.664 7.226 -8.387 1.00 1.73 C ATOM 959 O ILE A 61 6.379 8.175 -8.132 1.00 3.36 O ATOM 960 CB ILE A 61 3.626 6.943 -9.836 1.00 1.54 C ATOM 961 CG1 ILE A 61 2.203 7.449 -10.096 1.00 2.01 C ATOM 962 CG2 ILE A 61 3.606 5.417 -10.004 1.00 1.66 C ATOM 963 CD1 ILE A 61 1.240 7.081 -8.972 1.00 3.46 C ATOM 0 H ILE A 61 3.899 9.444 -8.935 1.00 1.83 H new ATOM 0 HA ILE A 61 3.703 6.721 -7.670 1.00 1.50 H new ATOM 0 HB ILE A 61 4.322 7.389 -10.547 1.00 1.54 H new ATOM 0 HG12 ILE A 61 2.222 8.532 -10.214 1.00 2.01 H new ATOM 0 HG13 ILE A 61 1.838 7.032 -11.035 1.00 2.01 H new ATOM 0 HG21 ILE A 61 3.241 5.165 -11.000 1.00 1.66 H new ATOM 0 HG22 ILE A 61 4.615 5.024 -9.877 1.00 1.66 H new ATOM 0 HG23 ILE A 61 2.948 4.977 -9.255 1.00 1.66 H new ATOM 0 HD11 ILE A 61 0.246 7.463 -9.205 1.00 3.46 H new ATOM 0 HD12 ILE A 61 1.198 5.997 -8.870 1.00 3.46 H new ATOM 0 HD13 ILE A 61 1.587 7.520 -8.037 1.00 3.46 H new ATOM 975 N LEU A 62 6.100 6.006 -8.551 1.00 1.34 N ATOM 976 CA LEU A 62 7.542 5.645 -8.552 1.00 1.23 C ATOM 977 C LEU A 62 7.919 5.315 -7.116 1.00 1.12 C ATOM 978 O LEU A 62 8.229 4.187 -6.792 1.00 1.30 O ATOM 979 CB LEU A 62 8.391 6.809 -9.104 1.00 1.59 C ATOM 980 CG LEU A 62 9.778 6.328 -9.557 1.00 1.99 C ATOM 981 CD1 LEU A 62 10.452 7.457 -10.348 1.00 2.89 C ATOM 982 CD2 LEU A 62 10.642 5.990 -8.337 1.00 3.38 C ATOM 0 H LEU A 62 5.480 5.208 -8.691 1.00 1.34 H new ATOM 0 HA LEU A 62 7.731 4.787 -9.197 1.00 1.23 H new ATOM 0 HB2 LEU A 62 7.873 7.272 -9.944 1.00 1.59 H new ATOM 0 HB3 LEU A 62 8.503 7.575 -8.337 1.00 1.59 H new ATOM 0 HG LEU A 62 9.670 5.437 -10.176 1.00 1.99 H new ATOM 0 HD11 LEU A 62 11.439 7.132 -10.677 1.00 2.89 H new ATOM 0 HD12 LEU A 62 9.843 7.706 -11.217 1.00 2.89 H new ATOM 0 HD13 LEU A 62 10.553 8.336 -9.712 1.00 2.89 H new ATOM 0 HD21 LEU A 62 11.623 5.650 -8.669 1.00 3.38 H new ATOM 0 HD22 LEU A 62 10.757 6.878 -7.715 1.00 3.38 H new ATOM 0 HD23 LEU A 62 10.161 5.201 -7.758 1.00 3.38 H new ATOM 994 N ALA A 63 7.699 6.274 -6.258 1.00 1.16 N ATOM 995 CA ALA A 63 8.055 6.094 -4.820 1.00 1.15 C ATOM 996 C ALA A 63 6.968 5.316 -4.077 1.00 1.23 C ATOM 997 O ALA A 63 6.637 5.598 -2.934 1.00 2.25 O ATOM 998 CB ALA A 63 8.245 7.477 -4.192 1.00 1.26 C ATOM 0 H ALA A 63 7.287 7.177 -6.491 1.00 1.16 H new ATOM 0 HA ALA A 63 8.977 5.518 -4.745 1.00 1.15 H new ATOM 0 HB1 ALA A 63 8.506 7.366 -3.140 1.00 1.26 H new ATOM 0 HB2 ALA A 63 9.045 8.005 -4.711 1.00 1.26 H new ATOM 0 HB3 ALA A 63 7.319 8.046 -4.278 1.00 1.26 H new ATOM 1004 N VAL A 64 6.360 4.432 -4.804 1.00 0.88 N ATOM 1005 CA VAL A 64 5.325 3.543 -4.226 1.00 0.83 C ATOM 1006 C VAL A 64 5.639 2.150 -4.756 1.00 0.75 C ATOM 1007 O VAL A 64 5.658 1.195 -4.012 1.00 0.82 O ATOM 1008 CB VAL A 64 3.912 3.977 -4.631 1.00 0.90 C ATOM 1009 CG1 VAL A 64 2.886 3.056 -3.945 1.00 1.05 C ATOM 1010 CG2 VAL A 64 3.690 5.419 -4.165 1.00 1.09 C ATOM 0 H VAL A 64 6.541 4.284 -5.797 1.00 0.88 H new ATOM 0 HA VAL A 64 5.344 3.577 -3.137 1.00 0.83 H new ATOM 0 HB VAL A 64 3.794 3.913 -5.713 1.00 0.90 H new ATOM 0 HG11 VAL A 64 1.878 3.359 -4.229 1.00 1.05 H new ATOM 0 HG12 VAL A 64 3.056 2.026 -4.257 1.00 1.05 H new ATOM 0 HG13 VAL A 64 2.996 3.131 -2.863 1.00 1.05 H new ATOM 0 HG21 VAL A 64 2.688 5.742 -4.446 1.00 1.09 H new ATOM 0 HG22 VAL A 64 3.797 5.472 -3.082 1.00 1.09 H new ATOM 0 HG23 VAL A 64 4.427 6.071 -4.635 1.00 1.09 H new ATOM 1020 N GLU A 65 5.934 2.077 -6.028 1.00 0.70 N ATOM 1021 CA GLU A 65 6.268 0.750 -6.624 1.00 0.77 C ATOM 1022 C GLU A 65 7.669 0.408 -6.136 1.00 0.69 C ATOM 1023 O GLU A 65 7.947 -0.721 -5.759 1.00 0.80 O ATOM 1024 CB GLU A 65 6.219 0.826 -8.165 1.00 1.07 C ATOM 1025 CG GLU A 65 4.821 1.275 -8.607 1.00 1.47 C ATOM 1026 CD GLU A 65 4.629 2.756 -8.272 1.00 2.51 C ATOM 1027 OE1 GLU A 65 5.603 3.467 -8.366 1.00 3.43 O ATOM 1028 OE2 GLU A 65 3.524 3.108 -7.922 1.00 3.69 O ATOM 0 H GLU A 65 5.958 2.867 -6.672 1.00 0.70 H new ATOM 0 HA GLU A 65 5.554 -0.017 -6.325 1.00 0.77 H new ATOM 0 HB2 GLU A 65 6.970 1.526 -8.530 1.00 1.07 H new ATOM 0 HB3 GLU A 65 6.454 -0.147 -8.596 1.00 1.07 H new ATOM 0 HG2 GLU A 65 4.698 1.115 -9.678 1.00 1.47 H new ATOM 0 HG3 GLU A 65 4.060 0.677 -8.106 1.00 1.47 H new ATOM 1035 N ASP A 66 8.509 1.419 -6.106 1.00 0.71 N ATOM 1036 CA ASP A 66 9.889 1.203 -5.618 1.00 0.84 C ATOM 1037 C ASP A 66 9.801 0.665 -4.199 1.00 0.79 C ATOM 1038 O ASP A 66 10.369 -0.343 -3.858 1.00 0.89 O ATOM 1039 CB ASP A 66 10.604 2.550 -5.608 1.00 0.95 C ATOM 1040 CG ASP A 66 11.746 2.519 -6.613 1.00 2.47 C ATOM 1041 OD1 ASP A 66 12.685 1.792 -6.339 1.00 2.49 O ATOM 1042 OD2 ASP A 66 11.614 3.225 -7.601 1.00 4.27 O ATOM 0 H ASP A 66 8.291 2.372 -6.398 1.00 0.71 H new ATOM 0 HA ASP A 66 10.431 0.501 -6.252 1.00 0.84 H new ATOM 0 HB2 ASP A 66 9.905 3.348 -5.859 1.00 0.95 H new ATOM 0 HB3 ASP A 66 10.988 2.764 -4.610 1.00 0.95 H new ATOM 1047 N PHE A 67 9.053 1.384 -3.416 1.00 0.74 N ATOM 1048 CA PHE A 67 8.854 1.004 -1.991 1.00 0.76 C ATOM 1049 C PHE A 67 8.350 -0.440 -1.889 1.00 0.74 C ATOM 1050 O PHE A 67 8.933 -1.258 -1.208 1.00 1.00 O ATOM 1051 CB PHE A 67 7.827 1.965 -1.368 1.00 0.73 C ATOM 1052 CG PHE A 67 7.620 1.623 0.118 1.00 0.81 C ATOM 1053 CD1 PHE A 67 6.778 0.585 0.488 1.00 0.96 C ATOM 1054 CD2 PHE A 67 8.277 2.337 1.109 1.00 0.92 C ATOM 1055 CE1 PHE A 67 6.599 0.268 1.815 1.00 1.05 C ATOM 1056 CE2 PHE A 67 8.090 2.018 2.442 1.00 0.97 C ATOM 1057 CZ PHE A 67 7.250 0.981 2.791 1.00 0.95 C ATOM 0 H PHE A 67 8.564 2.231 -3.705 1.00 0.74 H new ATOM 0 HA PHE A 67 9.802 1.072 -1.457 1.00 0.76 H new ATOM 0 HB2 PHE A 67 8.172 2.994 -1.468 1.00 0.73 H new ATOM 0 HB3 PHE A 67 6.879 1.893 -1.902 1.00 0.73 H new ATOM 0 HD1 PHE A 67 6.258 0.021 -0.272 1.00 0.96 H new ATOM 0 HD2 PHE A 67 8.938 3.147 0.838 1.00 0.92 H new ATOM 0 HE1 PHE A 67 5.944 -0.545 2.090 1.00 1.05 H new ATOM 0 HE2 PHE A 67 8.601 2.581 3.209 1.00 0.97 H new ATOM 0 HZ PHE A 67 7.105 0.730 3.831 1.00 0.95 H new ATOM 1067 N LEU A 68 7.280 -0.722 -2.576 1.00 0.58 N ATOM 1068 CA LEU A 68 6.702 -2.100 -2.519 1.00 0.64 C ATOM 1069 C LEU A 68 7.650 -3.148 -3.102 1.00 0.73 C ATOM 1070 O LEU A 68 7.594 -4.301 -2.709 1.00 1.04 O ATOM 1071 CB LEU A 68 5.387 -2.104 -3.307 1.00 0.73 C ATOM 1072 CG LEU A 68 4.386 -1.161 -2.623 1.00 0.89 C ATOM 1073 CD1 LEU A 68 3.269 -0.795 -3.606 1.00 1.04 C ATOM 1074 CD2 LEU A 68 3.774 -1.868 -1.406 1.00 1.02 C ATOM 0 H LEU A 68 6.780 -0.064 -3.173 1.00 0.58 H new ATOM 0 HA LEU A 68 6.535 -2.361 -1.474 1.00 0.64 H new ATOM 0 HB2 LEU A 68 5.563 -1.784 -4.334 1.00 0.73 H new ATOM 0 HB3 LEU A 68 4.980 -3.114 -3.354 1.00 0.73 H new ATOM 0 HG LEU A 68 4.902 -0.255 -2.304 1.00 0.89 H new ATOM 0 HD11 LEU A 68 2.560 -0.126 -3.118 1.00 1.04 H new ATOM 0 HD12 LEU A 68 3.698 -0.298 -4.476 1.00 1.04 H new ATOM 0 HD13 LEU A 68 2.753 -1.701 -3.924 1.00 1.04 H new ATOM 0 HD21 LEU A 68 3.063 -1.202 -0.918 1.00 1.02 H new ATOM 0 HD22 LEU A 68 3.260 -2.772 -1.731 1.00 1.02 H new ATOM 0 HD23 LEU A 68 4.564 -2.133 -0.704 1.00 1.02 H new ATOM 1086 N GLU A 69 8.492 -2.724 -4.000 1.00 0.71 N ATOM 1087 CA GLU A 69 9.442 -3.665 -4.653 1.00 0.86 C ATOM 1088 C GLU A 69 10.711 -3.862 -3.816 1.00 0.99 C ATOM 1089 O GLU A 69 11.045 -4.968 -3.472 1.00 1.14 O ATOM 1090 CB GLU A 69 9.816 -3.069 -6.008 1.00 1.01 C ATOM 1091 CG GLU A 69 10.662 -4.067 -6.812 1.00 1.34 C ATOM 1092 CD GLU A 69 11.930 -3.378 -7.329 1.00 2.56 C ATOM 1093 OE1 GLU A 69 11.797 -2.252 -7.779 1.00 3.34 O ATOM 1094 OE2 GLU A 69 12.964 -4.019 -7.258 1.00 3.78 O ATOM 0 H GLU A 69 8.564 -1.756 -4.313 1.00 0.71 H new ATOM 0 HA GLU A 69 8.968 -4.641 -4.759 1.00 0.86 H new ATOM 0 HB2 GLU A 69 8.913 -2.816 -6.564 1.00 1.01 H new ATOM 0 HB3 GLU A 69 10.372 -2.143 -5.865 1.00 1.01 H new ATOM 0 HG2 GLU A 69 10.930 -4.918 -6.185 1.00 1.34 H new ATOM 0 HG3 GLU A 69 10.083 -4.457 -7.649 1.00 1.34 H new ATOM 1101 N GLN A 70 11.400 -2.788 -3.536 1.00 1.04 N ATOM 1102 CA GLN A 70 12.653 -2.887 -2.732 1.00 1.30 C ATOM 1103 C GLN A 70 12.447 -3.714 -1.453 1.00 1.28 C ATOM 1104 O GLN A 70 13.397 -4.278 -0.950 1.00 1.44 O ATOM 1105 CB GLN A 70 13.170 -1.476 -2.384 1.00 1.59 C ATOM 1106 CG GLN A 70 13.527 -0.696 -3.672 1.00 2.41 C ATOM 1107 CD GLN A 70 14.336 -1.575 -4.636 1.00 4.22 C ATOM 1108 OE1 GLN A 70 13.814 -1.872 -5.787 1.00 5.07 O flip ATOM 1109 NE2 GLN A 70 15.431 -2.018 -4.335 1.00 5.29 N flip ATOM 0 H GLN A 70 11.149 -1.844 -3.830 1.00 1.04 H new ATOM 0 HA GLN A 70 13.398 -3.404 -3.337 1.00 1.30 H new ATOM 0 HB2 GLN A 70 12.411 -0.933 -1.822 1.00 1.59 H new ATOM 0 HB3 GLN A 70 14.048 -1.552 -1.743 1.00 1.59 H new ATOM 0 HG2 GLN A 70 12.614 -0.357 -4.162 1.00 2.41 H new ATOM 0 HG3 GLN A 70 14.101 0.194 -3.416 1.00 2.41 H new ATOM 0 HE21 GLN A 70 15.844 -1.787 -3.432 1.00 5.29 H new ATOM 0 HE22 GLN A 70 15.934 -2.620 -4.987 1.00 5.29 H new ATOM 1118 N ASN A 71 11.248 -3.715 -0.903 1.00 1.17 N ATOM 1119 CA ASN A 71 11.010 -4.540 0.315 1.00 1.27 C ATOM 1120 C ASN A 71 10.065 -5.690 -0.042 1.00 1.18 C ATOM 1121 O ASN A 71 9.389 -6.224 0.820 1.00 1.29 O ATOM 1122 CB ASN A 71 10.380 -3.699 1.408 1.00 1.32 C ATOM 1123 CG ASN A 71 9.055 -3.132 0.945 1.00 1.78 C ATOM 1124 OD1 ASN A 71 8.305 -3.743 0.220 1.00 3.49 O ATOM 1125 ND2 ASN A 71 8.725 -1.965 1.349 1.00 1.43 N ATOM 0 H ASN A 71 10.444 -3.188 -1.243 1.00 1.17 H new ATOM 0 HA ASN A 71 11.962 -4.929 0.675 1.00 1.27 H new ATOM 0 HB2 ASN A 71 10.230 -4.306 2.301 1.00 1.32 H new ATOM 0 HB3 ASN A 71 11.053 -2.887 1.684 1.00 1.32 H new ATOM 0 HD21 ASN A 71 7.836 -1.558 1.059 1.00 1.43 H new ATOM 0 HD22 ASN A 71 9.351 -1.441 1.961 1.00 1.43 H new ATOM 1132 N GLU A 72 10.118 -6.062 -1.301 1.00 1.27 N ATOM 1133 CA GLU A 72 9.253 -7.144 -1.868 1.00 1.31 C ATOM 1134 C GLU A 72 8.011 -7.365 -1.013 1.00 1.25 C ATOM 1135 O GLU A 72 7.761 -8.447 -0.489 1.00 1.59 O ATOM 1136 CB GLU A 72 10.076 -8.427 -1.974 1.00 1.66 C ATOM 1137 CG GLU A 72 11.065 -8.300 -3.143 1.00 3.04 C ATOM 1138 CD GLU A 72 11.995 -9.514 -3.136 1.00 3.82 C ATOM 1139 OE1 GLU A 72 12.796 -9.564 -2.218 1.00 4.51 O ATOM 1140 OE2 GLU A 72 11.850 -10.342 -4.028 1.00 4.45 O ATOM 0 H GLU A 72 10.751 -5.642 -1.982 1.00 1.27 H new ATOM 0 HA GLU A 72 8.910 -6.846 -2.859 1.00 1.31 H new ATOM 0 HB2 GLU A 72 10.616 -8.605 -1.044 1.00 1.66 H new ATOM 0 HB3 GLU A 72 9.419 -9.283 -2.130 1.00 1.66 H new ATOM 0 HG2 GLU A 72 10.526 -8.243 -4.089 1.00 3.04 H new ATOM 0 HG3 GLU A 72 11.643 -7.381 -3.050 1.00 3.04 H new ATOM 1147 N LEU A 73 7.295 -6.292 -0.838 1.00 1.05 N ATOM 1148 CA LEU A 73 6.070 -6.382 -0.046 1.00 1.10 C ATOM 1149 C LEU A 73 5.124 -7.310 -0.780 1.00 1.36 C ATOM 1150 O LEU A 73 5.336 -7.677 -1.933 1.00 2.52 O ATOM 1151 CB LEU A 73 5.433 -4.987 0.113 1.00 0.94 C ATOM 1152 CG LEU A 73 4.926 -4.823 1.554 1.00 1.11 C ATOM 1153 CD1 LEU A 73 6.123 -4.741 2.517 1.00 1.85 C ATOM 1154 CD2 LEU A 73 4.093 -3.543 1.660 1.00 1.59 C ATOM 0 H LEU A 73 7.514 -5.368 -1.212 1.00 1.05 H new ATOM 0 HA LEU A 73 6.286 -6.764 0.952 1.00 1.10 H new ATOM 0 HB2 LEU A 73 6.164 -4.212 -0.118 1.00 0.94 H new ATOM 0 HB3 LEU A 73 4.609 -4.868 -0.591 1.00 0.94 H new ATOM 0 HG LEU A 73 4.308 -5.681 1.820 1.00 1.11 H new ATOM 0 HD11 LEU A 73 5.761 -4.625 3.538 1.00 1.85 H new ATOM 0 HD12 LEU A 73 6.713 -5.655 2.443 1.00 1.85 H new ATOM 0 HD13 LEU A 73 6.745 -3.885 2.253 1.00 1.85 H new ATOM 0 HD21 LEU A 73 3.733 -3.427 2.682 1.00 1.59 H new ATOM 0 HD22 LEU A 73 4.709 -2.685 1.392 1.00 1.59 H new ATOM 0 HD23 LEU A 73 3.243 -3.605 0.981 1.00 1.59 H new ATOM 1166 N GLN A 74 4.084 -7.632 -0.110 1.00 1.17 N ATOM 1167 CA GLN A 74 3.088 -8.545 -0.706 1.00 1.47 C ATOM 1168 C GLN A 74 2.148 -7.757 -1.629 1.00 1.33 C ATOM 1169 O GLN A 74 0.964 -7.622 -1.368 1.00 1.42 O ATOM 1170 CB GLN A 74 2.327 -9.258 0.428 1.00 1.78 C ATOM 1171 CG GLN A 74 2.166 -8.355 1.661 1.00 3.35 C ATOM 1172 CD GLN A 74 3.381 -8.473 2.603 1.00 4.39 C ATOM 1173 OE1 GLN A 74 4.342 -7.749 2.492 1.00 5.50 O ATOM 1174 NE2 GLN A 74 3.391 -9.381 3.522 1.00 5.00 N ATOM 0 H GLN A 74 3.870 -7.305 0.832 1.00 1.17 H new ATOM 0 HA GLN A 74 3.578 -9.304 -1.317 1.00 1.47 H new ATOM 0 HB2 GLN A 74 1.344 -9.564 0.070 1.00 1.78 H new ATOM 0 HB3 GLN A 74 2.860 -10.166 0.709 1.00 1.78 H new ATOM 0 HG2 GLN A 74 2.049 -7.319 1.343 1.00 3.35 H new ATOM 0 HG3 GLN A 74 1.258 -8.628 2.199 1.00 3.35 H new ATOM 0 HE21 GLN A 74 2.590 -10.003 3.633 1.00 5.00 H new ATOM 0 HE22 GLN A 74 4.200 -9.476 4.136 1.00 5.00 H new ATOM 1183 N TYR A 75 2.711 -7.234 -2.702 1.00 1.36 N ATOM 1184 CA TYR A 75 1.874 -6.439 -3.660 1.00 1.31 C ATOM 1185 C TYR A 75 1.708 -7.148 -5.013 1.00 1.41 C ATOM 1186 O TYR A 75 2.526 -7.962 -5.404 1.00 1.51 O ATOM 1187 CB TYR A 75 2.517 -5.052 -3.895 1.00 1.32 C ATOM 1188 CG TYR A 75 3.835 -5.145 -4.690 1.00 1.35 C ATOM 1189 CD1 TYR A 75 5.009 -5.542 -4.078 1.00 1.39 C ATOM 1190 CD2 TYR A 75 3.874 -4.792 -6.027 1.00 1.47 C ATOM 1191 CE1 TYR A 75 6.195 -5.589 -4.784 1.00 1.52 C ATOM 1192 CE2 TYR A 75 5.066 -4.834 -6.730 1.00 1.60 C ATOM 1193 CZ TYR A 75 6.234 -5.232 -6.113 1.00 1.61 C ATOM 1194 OH TYR A 75 7.425 -5.262 -6.815 1.00 1.84 O ATOM 0 H TYR A 75 3.696 -7.323 -2.950 1.00 1.36 H new ATOM 0 HA TYR A 75 0.887 -6.331 -3.211 1.00 1.31 H new ATOM 0 HB2 TYR A 75 1.815 -4.415 -4.433 1.00 1.32 H new ATOM 0 HB3 TYR A 75 2.708 -4.575 -2.934 1.00 1.32 H new ATOM 0 HD1 TYR A 75 4.999 -5.819 -3.034 1.00 1.39 H new ATOM 0 HD2 TYR A 75 2.968 -4.481 -6.526 1.00 1.47 H new ATOM 0 HE1 TYR A 75 7.100 -5.909 -4.289 1.00 1.52 H new ATOM 0 HE2 TYR A 75 5.082 -4.552 -7.772 1.00 1.60 H new ATOM 0 HH TYR A 75 7.267 -4.980 -7.740 1.00 1.84 H new ATOM 1204 N GLU A 76 0.650 -6.779 -5.698 1.00 1.44 N ATOM 1205 CA GLU A 76 0.330 -7.341 -7.047 1.00 1.58 C ATOM 1206 C GLU A 76 0.401 -6.165 -8.039 1.00 1.82 C ATOM 1207 O GLU A 76 0.111 -5.038 -7.654 1.00 1.96 O ATOM 1208 CB GLU A 76 -1.093 -7.939 -6.979 1.00 1.45 C ATOM 1209 CG GLU A 76 -1.675 -8.231 -8.371 1.00 1.81 C ATOM 1210 CD GLU A 76 -3.129 -8.681 -8.210 1.00 2.31 C ATOM 1211 OE1 GLU A 76 -3.324 -9.855 -7.943 1.00 2.90 O ATOM 1212 OE2 GLU A 76 -3.985 -7.818 -8.314 1.00 3.20 O ATOM 0 H GLU A 76 -0.024 -6.090 -5.365 1.00 1.44 H new ATOM 0 HA GLU A 76 1.019 -8.125 -7.361 1.00 1.58 H new ATOM 0 HB2 GLU A 76 -1.069 -8.861 -6.398 1.00 1.45 H new ATOM 0 HB3 GLU A 76 -1.750 -7.247 -6.452 1.00 1.45 H new ATOM 0 HG2 GLU A 76 -1.622 -7.340 -8.997 1.00 1.81 H new ATOM 0 HG3 GLU A 76 -1.092 -9.006 -8.869 1.00 1.81 H new ATOM 1219 N VAL A 77 0.785 -6.425 -9.273 1.00 2.08 N ATOM 1220 CA VAL A 77 0.878 -5.317 -10.283 1.00 2.54 C ATOM 1221 C VAL A 77 -0.092 -5.616 -11.429 1.00 2.67 C ATOM 1222 O VAL A 77 -0.348 -6.771 -11.714 1.00 2.95 O ATOM 1223 CB VAL A 77 2.323 -5.241 -10.830 1.00 3.06 C ATOM 1224 CG1 VAL A 77 2.524 -3.910 -11.567 1.00 3.47 C ATOM 1225 CG2 VAL A 77 3.332 -5.336 -9.675 1.00 3.53 C ATOM 0 H VAL A 77 1.036 -7.350 -9.621 1.00 2.08 H new ATOM 0 HA VAL A 77 0.621 -4.364 -9.820 1.00 2.54 H new ATOM 0 HB VAL A 77 2.484 -6.072 -11.517 1.00 3.06 H new ATOM 0 HG11 VAL A 77 3.542 -3.857 -11.952 1.00 3.47 H new ATOM 0 HG12 VAL A 77 1.819 -3.843 -12.396 1.00 3.47 H new ATOM 0 HG13 VAL A 77 2.354 -3.083 -10.878 1.00 3.47 H new ATOM 0 HG21 VAL A 77 4.346 -5.281 -10.072 1.00 3.53 H new ATOM 0 HG22 VAL A 77 3.169 -4.511 -8.981 1.00 3.53 H new ATOM 0 HG23 VAL A 77 3.198 -6.283 -9.152 1.00 3.53 H new