USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=15 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 Single : A 11 LYS NZ :NH3+ -135:sc= 1.08 (180deg=-0.509) USER MOD Single : A 16 ASN : amide:sc= -0.547 K(o=-0.55,f=-5.4!) USER MOD Single : A 21 ASN :FLIP amide:sc= -1.37 F(o=-3.1!,f=-1.4) USER MOD Single : A 24 SER OG : rot 83:sc= 0.29 USER MOD Single : A 27 HIS : no HD1:sc= -0.586 X(o=-0.59,f=-0.93) USER MOD Single : A 31 SER OG : rot 95:sc= 0.623 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00343 USER MOD Single : A 34 GLN : amide:sc= -0.912 X(o=-0.91,f=-0.57) USER MOD Single : A 39 LYS NZ :NH3+ -120:sc= -4.57! (180deg=-5.01!) USER MOD Single : A 42 SER OG : rot 77:sc= 0.941 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.23 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 47 LYS NZ :NH3+ -146:sc= -0.335 (180deg=-2.58!) USER MOD Single : A 49 HIS : no HE2:sc= -1.97! C(o=-2!,f=-7!) USER MOD Single : A 50 SER OG : rot -121:sc= 1.19 USER MOD Single : A 51 THR OG1 : rot 94:sc= 0.848 USER MOD Single : A 57 LYS NZ :NH3+ -150:sc= -1.32! (180deg=-4.65!) USER MOD Single : A 70 GLN : amide:sc= 0.436 K(o=0.44,f=-0.64) USER MOD Single : A 71 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.17) USER MOD Single : A 74 GLN :FLIP amide:sc= -2.77! C(o=-4.7!,f=-2.8!) USER MOD Single : A 75 TYR OH : rot -109:sc= 0.484 USER MOD ----------------------------------------------------------------- ATOM 144 N LYS A 11 -1.136 4.925 -13.244 1.00 2.23 N ATOM 145 CA LYS A 11 -1.192 3.475 -12.886 1.00 2.04 C ATOM 146 C LYS A 11 -2.171 3.201 -11.745 1.00 1.69 C ATOM 147 O LYS A 11 -2.629 4.106 -11.060 1.00 1.67 O ATOM 148 CB LYS A 11 0.179 2.980 -12.419 1.00 2.01 C ATOM 149 CG LYS A 11 1.032 2.544 -13.610 1.00 2.55 C ATOM 150 CD LYS A 11 2.219 1.732 -13.069 1.00 3.33 C ATOM 151 CE LYS A 11 3.200 1.455 -14.202 1.00 3.61 C ATOM 152 NZ LYS A 11 4.555 1.160 -13.660 1.00 4.57 N ATOM 0 HA LYS A 11 -1.517 2.956 -13.788 1.00 2.04 H new ATOM 0 HB2 LYS A 11 0.689 3.772 -11.871 1.00 2.01 H new ATOM 0 HB3 LYS A 11 0.054 2.145 -11.730 1.00 2.01 H new ATOM 0 HG2 LYS A 11 0.442 1.943 -14.302 1.00 2.55 H new ATOM 0 HG3 LYS A 11 1.386 3.413 -14.165 1.00 2.55 H new ATOM 0 HD2 LYS A 11 2.716 2.281 -12.269 1.00 3.33 H new ATOM 0 HD3 LYS A 11 1.867 0.794 -12.640 1.00 3.33 H new ATOM 0 HE2 LYS A 11 2.849 0.612 -14.797 1.00 3.61 H new ATOM 0 HE3 LYS A 11 3.248 2.317 -14.868 1.00 3.61 H new ATOM 0 HZ1 LYS A 11 5.269 1.683 -14.207 1.00 4.57 H new ATOM 0 HZ2 LYS A 11 4.601 1.451 -12.663 1.00 4.57 H new ATOM 0 HZ3 LYS A 11 4.743 0.140 -13.732 1.00 4.57 H new ATOM 166 N VAL A 12 -2.409 1.933 -11.556 1.00 1.69 N ATOM 167 CA VAL A 12 -3.297 1.450 -10.473 1.00 1.45 C ATOM 168 C VAL A 12 -2.545 0.284 -9.813 1.00 1.32 C ATOM 169 O VAL A 12 -1.882 -0.469 -10.513 1.00 1.77 O ATOM 170 CB VAL A 12 -4.642 1.000 -11.087 1.00 1.74 C ATOM 171 CG1 VAL A 12 -4.402 0.032 -12.260 1.00 3.64 C ATOM 172 CG2 VAL A 12 -5.507 0.315 -10.023 1.00 2.36 C ATOM 0 H VAL A 12 -2.009 1.191 -12.130 1.00 1.69 H new ATOM 0 HA VAL A 12 -3.528 2.216 -9.733 1.00 1.45 H new ATOM 0 HB VAL A 12 -5.162 1.883 -11.458 1.00 1.74 H new ATOM 0 HG11 VAL A 12 -5.360 -0.275 -12.680 1.00 3.64 H new ATOM 0 HG12 VAL A 12 -3.811 0.531 -13.028 1.00 3.64 H new ATOM 0 HG13 VAL A 12 -3.865 -0.846 -11.903 1.00 3.64 H new ATOM 0 HG21 VAL A 12 -6.452 0.003 -10.468 1.00 2.36 H new ATOM 0 HG22 VAL A 12 -4.983 -0.558 -9.635 1.00 2.36 H new ATOM 0 HG23 VAL A 12 -5.703 1.013 -9.209 1.00 2.36 H new ATOM 182 N PHE A 13 -2.624 0.159 -8.511 1.00 1.06 N ATOM 183 CA PHE A 13 -1.895 -0.962 -7.857 1.00 1.06 C ATOM 184 C PHE A 13 -2.756 -1.569 -6.768 1.00 0.83 C ATOM 185 O PHE A 13 -3.706 -0.968 -6.293 1.00 0.92 O ATOM 186 CB PHE A 13 -0.585 -0.479 -7.205 1.00 1.35 C ATOM 187 CG PHE A 13 0.469 -0.080 -8.254 1.00 1.08 C ATOM 188 CD1 PHE A 13 0.400 1.150 -8.876 1.00 1.44 C ATOM 189 CD2 PHE A 13 1.560 -0.897 -8.510 1.00 1.40 C ATOM 190 CE1 PHE A 13 1.405 1.571 -9.720 1.00 1.69 C ATOM 191 CE2 PHE A 13 2.568 -0.476 -9.360 1.00 1.63 C ATOM 192 CZ PHE A 13 2.489 0.762 -9.960 1.00 1.63 C ATOM 0 H PHE A 13 -3.150 0.771 -7.888 1.00 1.06 H new ATOM 0 HA PHE A 13 -1.666 -1.695 -8.630 1.00 1.06 H new ATOM 0 HB2 PHE A 13 -0.794 0.374 -6.559 1.00 1.35 H new ATOM 0 HB3 PHE A 13 -0.184 -1.269 -6.570 1.00 1.35 H new ATOM 0 HD1 PHE A 13 -0.452 1.790 -8.699 1.00 1.44 H new ATOM 0 HD2 PHE A 13 1.624 -1.869 -8.043 1.00 1.40 H new ATOM 0 HE1 PHE A 13 1.340 2.539 -10.194 1.00 1.69 H new ATOM 0 HE2 PHE A 13 3.416 -1.117 -9.553 1.00 1.63 H new ATOM 0 HZ PHE A 13 3.278 1.096 -10.618 1.00 1.63 H new ATOM 202 N ARG A 14 -2.398 -2.765 -6.413 1.00 0.81 N ATOM 203 CA ARG A 14 -3.141 -3.468 -5.337 1.00 0.80 C ATOM 204 C ARG A 14 -2.139 -4.058 -4.346 1.00 0.80 C ATOM 205 O ARG A 14 -1.095 -4.541 -4.738 1.00 1.10 O ATOM 206 CB ARG A 14 -3.986 -4.589 -5.955 1.00 1.00 C ATOM 207 CG ARG A 14 -4.740 -5.333 -4.840 1.00 1.41 C ATOM 208 CD ARG A 14 -5.790 -6.274 -5.450 1.00 1.43 C ATOM 209 NE ARG A 14 -7.007 -5.534 -5.948 1.00 2.13 N ATOM 210 CZ ARG A 14 -7.087 -4.230 -5.947 1.00 3.61 C ATOM 211 NH1 ARG A 14 -7.158 -3.604 -4.821 1.00 4.93 N ATOM 212 NH2 ARG A 14 -7.081 -3.608 -7.088 1.00 4.57 N ATOM 0 H ARG A 14 -1.623 -3.288 -6.821 1.00 0.81 H new ATOM 0 HA ARG A 14 -3.798 -2.770 -4.817 1.00 0.80 H new ATOM 0 HB2 ARG A 14 -4.693 -4.173 -6.673 1.00 1.00 H new ATOM 0 HB3 ARG A 14 -3.347 -5.282 -6.502 1.00 1.00 H new ATOM 0 HG2 ARG A 14 -4.037 -5.904 -4.233 1.00 1.41 H new ATOM 0 HG3 ARG A 14 -5.224 -4.616 -4.177 1.00 1.41 H new ATOM 0 HD2 ARG A 14 -5.342 -6.827 -6.275 1.00 1.43 H new ATOM 0 HD3 ARG A 14 -6.095 -7.007 -4.703 1.00 1.43 H new ATOM 0 HE ARG A 14 -7.798 -6.073 -6.299 1.00 2.13 H new ATOM 0 HH11 ARG A 14 -7.151 -4.127 -3.945 1.00 4.93 H new ATOM 0 HH12 ARG A 14 -7.221 -2.586 -4.807 1.00 4.93 H new ATOM 0 HH21 ARG A 14 -7.015 -4.138 -7.957 1.00 4.57 H new ATOM 0 HH22 ARG A 14 -7.142 -2.590 -7.114 1.00 4.57 H new ATOM 226 N VAL A 15 -2.495 -4.018 -3.091 1.00 0.70 N ATOM 227 CA VAL A 15 -1.604 -4.583 -2.029 1.00 0.75 C ATOM 228 C VAL A 15 -2.343 -5.764 -1.420 1.00 0.73 C ATOM 229 O VAL A 15 -3.528 -5.653 -1.135 1.00 0.90 O ATOM 230 CB VAL A 15 -1.334 -3.502 -0.963 1.00 0.92 C ATOM 231 CG1 VAL A 15 -0.450 -4.067 0.167 1.00 1.30 C ATOM 232 CG2 VAL A 15 -0.616 -2.320 -1.628 1.00 1.08 C ATOM 0 H VAL A 15 -3.369 -3.617 -2.751 1.00 0.70 H new ATOM 0 HA VAL A 15 -0.644 -4.903 -2.434 1.00 0.75 H new ATOM 0 HB VAL A 15 -2.282 -3.177 -0.534 1.00 0.92 H new ATOM 0 HG11 VAL A 15 -0.270 -3.291 0.910 1.00 1.30 H new ATOM 0 HG12 VAL A 15 -0.956 -4.910 0.638 1.00 1.30 H new ATOM 0 HG13 VAL A 15 0.501 -4.401 -0.248 1.00 1.30 H new ATOM 0 HG21 VAL A 15 -0.419 -1.548 -0.884 1.00 1.08 H new ATOM 0 HG22 VAL A 15 0.327 -2.661 -2.055 1.00 1.08 H new ATOM 0 HG23 VAL A 15 -1.245 -1.910 -2.418 1.00 1.08 H new ATOM 242 N ASN A 16 -1.648 -6.843 -1.227 1.00 0.71 N ATOM 243 CA ASN A 16 -2.296 -8.050 -0.654 1.00 0.77 C ATOM 244 C ASN A 16 -1.815 -8.157 0.786 1.00 0.80 C ATOM 245 O ASN A 16 -0.765 -7.643 1.085 1.00 1.24 O ATOM 246 CB ASN A 16 -1.850 -9.263 -1.472 1.00 0.88 C ATOM 247 CG ASN A 16 -2.804 -10.418 -1.217 1.00 1.59 C ATOM 248 OD1 ASN A 16 -3.011 -10.829 -0.101 1.00 2.84 O ATOM 249 ND2 ASN A 16 -3.431 -10.960 -2.216 1.00 2.56 N ATOM 0 H ASN A 16 -0.656 -6.943 -1.442 1.00 0.71 H new ATOM 0 HA ASN A 16 -3.384 -7.997 -0.681 1.00 0.77 H new ATOM 0 HB2 ASN A 16 -1.836 -9.015 -2.533 1.00 0.88 H new ATOM 0 HB3 ASN A 16 -0.834 -9.548 -1.198 1.00 0.88 H new ATOM 0 HD21 ASN A 16 -4.088 -11.723 -2.052 1.00 2.56 H new ATOM 0 HD22 ASN A 16 -3.266 -10.623 -3.165 1.00 2.56 H new ATOM 256 N VAL A 17 -2.532 -8.838 1.632 1.00 1.10 N ATOM 257 CA VAL A 17 -2.073 -8.913 3.052 1.00 1.15 C ATOM 258 C VAL A 17 -1.901 -10.363 3.486 1.00 1.19 C ATOM 259 O VAL A 17 -2.863 -11.128 3.496 1.00 1.51 O ATOM 260 CB VAL A 17 -3.096 -8.238 3.983 1.00 1.35 C ATOM 261 CG1 VAL A 17 -2.400 -7.925 5.315 1.00 1.56 C ATOM 262 CG2 VAL A 17 -3.615 -6.929 3.371 1.00 1.66 C ATOM 0 H VAL A 17 -3.395 -9.336 1.414 1.00 1.10 H new ATOM 0 HA VAL A 17 -1.115 -8.397 3.119 1.00 1.15 H new ATOM 0 HB VAL A 17 -3.943 -8.909 4.130 1.00 1.35 H new ATOM 0 HG11 VAL A 17 -3.108 -7.445 5.991 1.00 1.56 H new ATOM 0 HG12 VAL A 17 -2.040 -8.851 5.764 1.00 1.56 H new ATOM 0 HG13 VAL A 17 -1.558 -7.256 5.137 1.00 1.56 H new ATOM 0 HG21 VAL A 17 -4.336 -6.472 4.048 1.00 1.66 H new ATOM 0 HG22 VAL A 17 -2.781 -6.245 3.213 1.00 1.66 H new ATOM 0 HG23 VAL A 17 -4.097 -7.140 2.416 1.00 1.66 H new ATOM 272 N GLU A 18 -0.696 -10.676 3.909 1.00 1.01 N ATOM 273 CA GLU A 18 -0.380 -12.050 4.361 1.00 1.12 C ATOM 274 C GLU A 18 -0.574 -12.134 5.872 1.00 1.07 C ATOM 275 O GLU A 18 -1.374 -12.908 6.364 1.00 1.16 O ATOM 276 CB GLU A 18 1.091 -12.346 4.049 1.00 1.24 C ATOM 277 CG GLU A 18 1.514 -11.758 2.698 1.00 1.97 C ATOM 278 CD GLU A 18 0.606 -12.243 1.563 1.00 2.30 C ATOM 279 OE1 GLU A 18 0.382 -13.443 1.507 1.00 2.60 O ATOM 280 OE2 GLU A 18 0.247 -11.393 0.775 1.00 3.21 O ATOM 0 H GLU A 18 0.085 -10.021 3.957 1.00 1.01 H new ATOM 0 HA GLU A 18 -1.030 -12.764 3.855 1.00 1.12 H new ATOM 0 HB2 GLU A 18 1.720 -11.934 4.838 1.00 1.24 H new ATOM 0 HB3 GLU A 18 1.252 -13.424 4.043 1.00 1.24 H new ATOM 0 HG2 GLU A 18 1.484 -10.670 2.749 1.00 1.97 H new ATOM 0 HG3 GLU A 18 2.545 -12.039 2.485 1.00 1.97 H new ATOM 287 N ASP A 19 0.163 -11.317 6.578 1.00 1.06 N ATOM 288 CA ASP A 19 0.049 -11.319 8.060 1.00 1.17 C ATOM 289 C ASP A 19 0.018 -9.861 8.495 1.00 1.08 C ATOM 290 O ASP A 19 -0.500 -9.026 7.778 1.00 1.21 O ATOM 291 CB ASP A 19 1.233 -12.090 8.701 1.00 1.35 C ATOM 292 CG ASP A 19 2.510 -11.244 8.717 1.00 1.70 C ATOM 293 OD1 ASP A 19 2.888 -10.800 7.652 1.00 2.72 O ATOM 294 OD2 ASP A 19 3.003 -11.037 9.809 1.00 2.67 O ATOM 0 H ASP A 19 0.834 -10.653 6.192 1.00 1.06 H new ATOM 0 HA ASP A 19 -0.856 -11.830 8.389 1.00 1.17 H new ATOM 0 HB2 ASP A 19 0.973 -12.377 9.720 1.00 1.35 H new ATOM 0 HB3 ASP A 19 1.412 -13.011 8.146 1.00 1.35 H new ATOM 299 N GLU A 20 0.594 -9.579 9.619 1.00 1.03 N ATOM 300 CA GLU A 20 0.596 -8.182 10.114 1.00 1.01 C ATOM 301 C GLU A 20 1.768 -7.441 9.487 1.00 0.93 C ATOM 302 O GLU A 20 1.775 -6.229 9.437 1.00 0.88 O ATOM 303 CB GLU A 20 0.738 -8.232 11.636 1.00 1.08 C ATOM 304 CG GLU A 20 0.561 -6.837 12.262 1.00 1.71 C ATOM 305 CD GLU A 20 -0.873 -6.314 12.083 1.00 2.57 C ATOM 306 OE1 GLU A 20 -1.786 -7.118 12.173 1.00 2.98 O ATOM 307 OE2 GLU A 20 -0.998 -5.115 11.923 1.00 3.89 O ATOM 0 H GLU A 20 1.065 -10.255 10.220 1.00 1.03 H new ATOM 0 HA GLU A 20 -0.324 -7.661 9.848 1.00 1.01 H new ATOM 0 HB2 GLU A 20 -0.004 -8.915 12.050 1.00 1.08 H new ATOM 0 HB3 GLU A 20 1.719 -8.629 11.899 1.00 1.08 H new ATOM 0 HG2 GLU A 20 0.803 -6.881 13.324 1.00 1.71 H new ATOM 0 HG3 GLU A 20 1.263 -6.140 11.804 1.00 1.71 H new ATOM 314 N ASN A 21 2.754 -8.183 9.061 1.00 1.02 N ATOM 315 CA ASN A 21 3.945 -7.544 8.418 1.00 1.01 C ATOM 316 C ASN A 21 3.493 -6.508 7.372 1.00 0.87 C ATOM 317 O ASN A 21 3.703 -5.328 7.562 1.00 0.93 O ATOM 318 CB ASN A 21 4.801 -8.628 7.754 1.00 1.11 C ATOM 319 CG ASN A 21 6.213 -8.099 7.513 1.00 1.38 C ATOM 320 OD1 ASN A 21 6.583 -7.805 6.309 1.00 1.92 O flip ATOM 321 ND2 ASN A 21 6.990 -7.930 8.432 1.00 1.97 N flip ATOM 0 H ASN A 21 2.789 -9.200 9.129 1.00 1.02 H new ATOM 0 HA ASN A 21 4.535 -7.031 9.177 1.00 1.01 H new ATOM 0 HB2 ASN A 21 4.838 -9.514 8.388 1.00 1.11 H new ATOM 0 HB3 ASN A 21 4.351 -8.931 6.809 1.00 1.11 H new ATOM 0 HD21 ASN A 21 6.709 -8.158 9.386 1.00 1.97 H new ATOM 0 HD22 ASN A 21 7.923 -7.560 8.250 1.00 1.97 H new ATOM 328 N ASP A 22 2.859 -6.963 6.307 1.00 0.77 N ATOM 329 CA ASP A 22 2.386 -6.000 5.252 1.00 0.68 C ATOM 330 C ASP A 22 1.707 -4.798 5.902 1.00 0.65 C ATOM 331 O ASP A 22 2.090 -3.677 5.680 1.00 0.85 O ATOM 332 CB ASP A 22 1.370 -6.683 4.304 1.00 0.75 C ATOM 333 CG ASP A 22 0.808 -5.629 3.306 1.00 2.27 C ATOM 334 OD1 ASP A 22 -0.033 -4.864 3.759 1.00 3.67 O ATOM 335 OD2 ASP A 22 1.257 -5.625 2.165 1.00 2.90 O ATOM 0 H ASP A 22 2.652 -7.945 6.126 1.00 0.77 H new ATOM 0 HA ASP A 22 3.257 -5.675 4.682 1.00 0.68 H new ATOM 0 HB2 ASP A 22 1.852 -7.495 3.760 1.00 0.75 H new ATOM 0 HB3 ASP A 22 0.557 -7.124 4.881 1.00 0.75 H new ATOM 340 N ILE A 23 0.718 -5.069 6.705 1.00 0.70 N ATOM 341 CA ILE A 23 -0.020 -3.955 7.366 1.00 0.73 C ATOM 342 C ILE A 23 0.950 -2.990 8.049 1.00 0.81 C ATOM 343 O ILE A 23 0.875 -1.785 7.859 1.00 0.94 O ATOM 344 CB ILE A 23 -0.996 -4.559 8.383 1.00 0.85 C ATOM 345 CG1 ILE A 23 -1.856 -5.611 7.668 1.00 0.90 C ATOM 346 CG2 ILE A 23 -1.887 -3.444 8.946 1.00 1.07 C ATOM 347 CD1 ILE A 23 -2.730 -6.340 8.673 1.00 1.01 C ATOM 0 H ILE A 23 0.389 -6.007 6.932 1.00 0.70 H new ATOM 0 HA ILE A 23 -0.572 -3.384 6.620 1.00 0.73 H new ATOM 0 HB ILE A 23 -0.453 -5.028 9.203 1.00 0.85 H new ATOM 0 HG12 ILE A 23 -2.479 -5.131 6.913 1.00 0.90 H new ATOM 0 HG13 ILE A 23 -1.216 -6.323 7.147 1.00 0.90 H new ATOM 0 HG21 ILE A 23 -2.584 -3.866 9.670 1.00 1.07 H new ATOM 0 HG22 ILE A 23 -1.266 -2.694 9.435 1.00 1.07 H new ATOM 0 HG23 ILE A 23 -2.445 -2.979 8.133 1.00 1.07 H new ATOM 0 HD11 ILE A 23 -3.336 -7.084 8.156 1.00 1.01 H new ATOM 0 HD12 ILE A 23 -2.100 -6.835 9.412 1.00 1.01 H new ATOM 0 HD13 ILE A 23 -3.383 -5.625 9.174 1.00 1.01 H new ATOM 359 N SER A 24 1.844 -3.564 8.802 1.00 0.85 N ATOM 360 CA SER A 24 2.866 -2.763 9.522 1.00 0.97 C ATOM 361 C SER A 24 3.697 -1.970 8.504 1.00 0.93 C ATOM 362 O SER A 24 3.856 -0.768 8.640 1.00 1.09 O ATOM 363 CB SER A 24 3.767 -3.720 10.315 1.00 1.11 C ATOM 364 OG SER A 24 2.874 -4.372 11.212 1.00 1.48 O ATOM 0 H SER A 24 1.909 -4.571 8.950 1.00 0.85 H new ATOM 0 HA SER A 24 2.389 -2.062 10.207 1.00 0.97 H new ATOM 0 HB2 SER A 24 4.266 -4.434 9.659 1.00 1.11 H new ATOM 0 HB3 SER A 24 4.548 -3.181 10.851 1.00 1.11 H new ATOM 0 HG SER A 24 2.435 -5.118 10.752 1.00 1.48 H new ATOM 370 N GLU A 25 4.184 -2.665 7.498 1.00 0.83 N ATOM 371 CA GLU A 25 5.001 -2.014 6.444 1.00 0.84 C ATOM 372 C GLU A 25 4.150 -0.959 5.730 1.00 0.83 C ATOM 373 O GLU A 25 4.385 0.226 5.863 1.00 1.08 O ATOM 374 CB GLU A 25 5.456 -3.115 5.465 1.00 0.89 C ATOM 375 CG GLU A 25 6.339 -4.140 6.208 1.00 1.52 C ATOM 376 CD GLU A 25 6.772 -5.263 5.250 1.00 2.47 C ATOM 377 OE1 GLU A 25 5.880 -5.855 4.656 1.00 3.81 O ATOM 378 OE2 GLU A 25 7.974 -5.493 5.175 1.00 3.00 O ATOM 0 H GLU A 25 4.043 -3.667 7.370 1.00 0.83 H new ATOM 0 HA GLU A 25 5.874 -1.515 6.865 1.00 0.84 H new ATOM 0 HB2 GLU A 25 4.588 -3.613 5.034 1.00 0.89 H new ATOM 0 HB3 GLU A 25 6.012 -2.673 4.639 1.00 0.89 H new ATOM 0 HG2 GLU A 25 7.218 -3.643 6.618 1.00 1.52 H new ATOM 0 HG3 GLU A 25 5.789 -4.562 7.049 1.00 1.52 H new ATOM 385 N LEU A 26 3.139 -1.413 5.023 1.00 0.76 N ATOM 386 CA LEU A 26 2.232 -0.514 4.291 1.00 0.83 C ATOM 387 C LEU A 26 1.915 0.711 5.144 1.00 0.82 C ATOM 388 O LEU A 26 1.999 1.829 4.658 1.00 0.89 O ATOM 389 CB LEU A 26 0.966 -1.321 3.966 1.00 0.91 C ATOM 390 CG LEU A 26 -0.104 -0.372 3.448 1.00 0.87 C ATOM 391 CD1 LEU A 26 0.280 0.141 2.052 1.00 1.63 C ATOM 392 CD2 LEU A 26 -1.472 -1.073 3.405 1.00 1.79 C ATOM 0 H LEU A 26 2.912 -2.403 4.930 1.00 0.76 H new ATOM 0 HA LEU A 26 2.686 -0.150 3.369 1.00 0.83 H new ATOM 0 HB2 LEU A 26 1.187 -2.084 3.219 1.00 0.91 H new ATOM 0 HB3 LEU A 26 0.611 -1.840 4.856 1.00 0.91 H new ATOM 0 HG LEU A 26 -0.177 0.477 4.127 1.00 0.87 H new ATOM 0 HD11 LEU A 26 -0.492 0.820 1.689 1.00 1.63 H new ATOM 0 HD12 LEU A 26 1.231 0.670 2.108 1.00 1.63 H new ATOM 0 HD13 LEU A 26 0.373 -0.702 1.367 1.00 1.63 H new ATOM 0 HD21 LEU A 26 -2.225 -0.379 3.032 1.00 1.79 H new ATOM 0 HD22 LEU A 26 -1.417 -1.938 2.744 1.00 1.79 H new ATOM 0 HD23 LEU A 26 -1.745 -1.400 4.408 1.00 1.79 H new ATOM 404 N HIS A 27 1.535 0.451 6.378 1.00 0.82 N ATOM 405 CA HIS A 27 1.212 1.561 7.335 1.00 0.90 C ATOM 406 C HIS A 27 2.182 2.715 7.132 1.00 0.87 C ATOM 407 O HIS A 27 1.772 3.844 6.977 1.00 1.00 O ATOM 408 CB HIS A 27 1.344 1.050 8.777 1.00 0.94 C ATOM 409 CG HIS A 27 0.028 1.049 9.550 1.00 0.85 C ATOM 410 ND1 HIS A 27 -0.301 2.041 10.326 1.00 1.34 N ATOM 411 CD2 HIS A 27 -1.003 0.151 9.599 1.00 1.19 C ATOM 412 CE1 HIS A 27 -1.480 1.794 10.849 1.00 1.43 C ATOM 413 NE2 HIS A 27 -1.903 0.636 10.402 1.00 1.15 N ATOM 0 H HIS A 27 1.435 -0.488 6.763 1.00 0.82 H new ATOM 0 HA HIS A 27 0.193 1.902 7.153 1.00 0.90 H new ATOM 0 HB2 HIS A 27 1.745 0.037 8.759 1.00 0.94 H new ATOM 0 HB3 HIS A 27 2.067 1.670 9.308 1.00 0.94 H new ATOM 0 HD2 HIS A 27 -1.059 -0.788 9.068 1.00 1.19 H new ATOM 0 HE1 HIS A 27 -2.013 2.438 11.533 1.00 1.43 H new ATOM 0 HE2 HIS A 27 -2.788 0.191 10.644 1.00 1.15 H new ATOM 421 N GLU A 28 3.440 2.373 7.170 1.00 0.79 N ATOM 422 CA GLU A 28 4.517 3.382 6.979 1.00 0.82 C ATOM 423 C GLU A 28 4.156 4.366 5.855 1.00 0.91 C ATOM 424 O GLU A 28 4.169 5.572 6.054 1.00 1.15 O ATOM 425 CB GLU A 28 5.786 2.623 6.620 1.00 0.80 C ATOM 426 CG GLU A 28 6.960 3.589 6.484 1.00 1.60 C ATOM 427 CD GLU A 28 8.133 2.916 5.763 1.00 3.18 C ATOM 428 OE1 GLU A 28 7.974 1.777 5.331 1.00 4.32 O ATOM 429 OE2 GLU A 28 9.128 3.601 5.680 1.00 4.09 O ATOM 0 H GLU A 28 3.771 1.421 7.328 1.00 0.79 H new ATOM 0 HA GLU A 28 4.652 3.965 7.890 1.00 0.82 H new ATOM 0 HB2 GLU A 28 6.004 1.881 7.388 1.00 0.80 H new ATOM 0 HB3 GLU A 28 5.642 2.081 5.685 1.00 0.80 H new ATOM 0 HG2 GLU A 28 6.647 4.475 5.931 1.00 1.60 H new ATOM 0 HG3 GLU A 28 7.278 3.925 7.471 1.00 1.60 H new ATOM 436 N LEU A 29 3.877 3.805 4.693 1.00 0.82 N ATOM 437 CA LEU A 29 3.499 4.619 3.482 1.00 0.95 C ATOM 438 C LEU A 29 2.653 5.823 3.912 1.00 1.01 C ATOM 439 O LEU A 29 2.915 6.964 3.532 1.00 1.42 O ATOM 440 CB LEU A 29 2.681 3.701 2.534 1.00 1.27 C ATOM 441 CG LEU A 29 2.567 4.240 1.080 1.00 1.45 C ATOM 442 CD1 LEU A 29 2.212 5.725 1.030 1.00 2.45 C ATOM 443 CD2 LEU A 29 3.886 4.047 0.332 1.00 1.77 C ATOM 0 H LEU A 29 3.896 2.798 4.531 1.00 0.82 H new ATOM 0 HA LEU A 29 4.389 4.991 2.973 1.00 0.95 H new ATOM 0 HB2 LEU A 29 3.144 2.715 2.510 1.00 1.27 H new ATOM 0 HB3 LEU A 29 1.679 3.573 2.943 1.00 1.27 H new ATOM 0 HG LEU A 29 1.765 3.671 0.609 1.00 1.45 H new ATOM 0 HD11 LEU A 29 2.145 6.048 -0.009 1.00 2.45 H new ATOM 0 HD12 LEU A 29 1.253 5.887 1.523 1.00 2.45 H new ATOM 0 HD13 LEU A 29 2.984 6.301 1.540 1.00 2.45 H new ATOM 0 HD21 LEU A 29 3.788 4.430 -0.684 1.00 1.77 H new ATOM 0 HD22 LEU A 29 4.679 4.587 0.848 1.00 1.77 H new ATOM 0 HD23 LEU A 29 4.133 2.986 0.297 1.00 1.77 H new ATOM 455 N ALA A 30 1.663 5.533 4.720 1.00 0.97 N ATOM 456 CA ALA A 30 0.743 6.602 5.203 1.00 1.28 C ATOM 457 C ALA A 30 1.525 7.860 5.597 1.00 1.34 C ATOM 458 O ALA A 30 1.167 8.954 5.212 1.00 1.59 O ATOM 459 CB ALA A 30 -0.047 6.089 6.412 1.00 1.66 C ATOM 0 H ALA A 30 1.454 4.596 5.066 1.00 0.97 H new ATOM 0 HA ALA A 30 0.058 6.861 4.395 1.00 1.28 H new ATOM 0 HB1 ALA A 30 -0.720 6.871 6.765 1.00 1.66 H new ATOM 0 HB2 ALA A 30 -0.628 5.214 6.122 1.00 1.66 H new ATOM 0 HB3 ALA A 30 0.644 5.817 7.210 1.00 1.66 H new ATOM 465 N SER A 31 2.575 7.666 6.356 1.00 1.59 N ATOM 466 CA SER A 31 3.422 8.820 6.808 1.00 1.94 C ATOM 467 C SER A 31 3.591 9.872 5.704 1.00 1.81 C ATOM 468 O SER A 31 3.573 11.054 5.971 1.00 2.25 O ATOM 469 CB SER A 31 4.792 8.295 7.223 1.00 2.59 C ATOM 470 OG SER A 31 4.481 7.321 8.208 1.00 2.79 O ATOM 0 H SER A 31 2.886 6.752 6.686 1.00 1.59 H new ATOM 0 HA SER A 31 2.922 9.300 7.649 1.00 1.94 H new ATOM 0 HB2 SER A 31 5.328 7.859 6.380 1.00 2.59 H new ATOM 0 HB3 SER A 31 5.422 9.088 7.626 1.00 2.59 H new ATOM 0 HG SER A 31 4.445 6.435 7.792 1.00 2.79 H new ATOM 476 N THR A 32 3.774 9.408 4.495 1.00 1.66 N ATOM 477 CA THR A 32 3.940 10.357 3.344 1.00 2.14 C ATOM 478 C THR A 32 2.666 10.393 2.504 1.00 2.31 C ATOM 479 O THR A 32 2.467 11.280 1.702 1.00 2.91 O ATOM 480 CB THR A 32 5.102 9.891 2.457 1.00 2.63 C ATOM 481 OG1 THR A 32 4.883 8.502 2.203 1.00 3.24 O ATOM 482 CG2 THR A 32 6.438 9.949 3.204 1.00 2.58 C ATOM 0 H THR A 32 3.816 8.418 4.251 1.00 1.66 H new ATOM 0 HA THR A 32 4.145 11.352 3.738 1.00 2.14 H new ATOM 0 HB THR A 32 5.140 10.522 1.569 1.00 2.63 H new ATOM 0 HG1 THR A 32 5.603 8.156 1.635 1.00 3.24 H new ATOM 0 HG21 THR A 32 7.238 9.612 2.545 1.00 2.58 H new ATOM 0 HG22 THR A 32 6.635 10.974 3.519 1.00 2.58 H new ATOM 0 HG23 THR A 32 6.393 9.303 4.080 1.00 2.58 H new ATOM 490 N ARG A 33 1.828 9.415 2.737 1.00 2.36 N ATOM 491 CA ARG A 33 0.542 9.285 1.991 1.00 3.03 C ATOM 492 C ARG A 33 0.706 9.718 0.529 1.00 1.85 C ATOM 493 O ARG A 33 -0.128 10.409 -0.028 1.00 2.39 O ATOM 494 CB ARG A 33 -0.526 10.143 2.692 1.00 4.62 C ATOM 495 CG ARG A 33 -1.747 9.269 3.008 1.00 6.14 C ATOM 496 CD ARG A 33 -2.937 10.148 3.409 1.00 7.79 C ATOM 497 NE ARG A 33 -3.162 11.173 2.346 1.00 7.96 N ATOM 498 CZ ARG A 33 -4.089 10.961 1.458 1.00 8.55 C ATOM 499 NH1 ARG A 33 -3.776 10.302 0.387 1.00 8.07 N ATOM 500 NH2 ARG A 33 -5.292 11.401 1.691 1.00 10.02 N ATOM 0 H ARG A 33 1.987 8.684 3.430 1.00 2.36 H new ATOM 0 HA ARG A 33 0.232 8.240 1.989 1.00 3.03 H new ATOM 0 HB2 ARG A 33 -0.122 10.570 3.610 1.00 4.62 H new ATOM 0 HB3 ARG A 33 -0.816 10.977 2.053 1.00 4.62 H new ATOM 0 HG2 ARG A 33 -2.007 8.667 2.138 1.00 6.14 H new ATOM 0 HG3 ARG A 33 -1.509 8.576 3.815 1.00 6.14 H new ATOM 0 HD2 ARG A 33 -3.830 9.537 3.538 1.00 7.79 H new ATOM 0 HD3 ARG A 33 -2.742 10.633 4.365 1.00 7.79 H new ATOM 0 HE ARG A 33 -2.599 12.023 2.317 1.00 7.96 H new ATOM 0 HH11 ARG A 33 -2.823 9.964 0.257 1.00 8.07 H new ATOM 0 HH12 ARG A 33 -4.483 10.121 -0.326 1.00 8.07 H new ATOM 0 HH21 ARG A 33 -5.493 11.901 2.557 1.00 10.02 H new ATOM 0 HH22 ARG A 33 -6.033 11.245 1.008 1.00 10.02 H new ATOM 514 N GLN A 34 1.788 9.277 -0.064 1.00 1.87 N ATOM 515 CA GLN A 34 2.036 9.628 -1.492 1.00 2.66 C ATOM 516 C GLN A 34 0.818 9.202 -2.322 1.00 2.17 C ATOM 517 O GLN A 34 0.563 9.723 -3.388 1.00 2.26 O ATOM 518 CB GLN A 34 3.302 8.901 -1.981 1.00 4.40 C ATOM 519 CG GLN A 34 4.081 9.816 -2.938 1.00 5.41 C ATOM 520 CD GLN A 34 4.525 11.071 -2.177 1.00 5.30 C ATOM 521 OE1 GLN A 34 5.431 11.039 -1.368 1.00 6.00 O ATOM 522 NE2 GLN A 34 3.894 12.189 -2.374 1.00 5.28 N ATOM 0 H GLN A 34 2.502 8.696 0.375 1.00 1.87 H new ATOM 0 HA GLN A 34 2.186 10.702 -1.600 1.00 2.66 H new ATOM 0 HB2 GLN A 34 3.928 8.628 -1.132 1.00 4.40 H new ATOM 0 HB3 GLN A 34 3.030 7.975 -2.487 1.00 4.40 H new ATOM 0 HG2 GLN A 34 4.949 9.291 -3.338 1.00 5.41 H new ATOM 0 HG3 GLN A 34 3.456 10.092 -3.787 1.00 5.41 H new ATOM 0 HE21 GLN A 34 3.131 12.232 -3.050 1.00 5.28 H new ATOM 0 HE22 GLN A 34 4.161 13.024 -1.853 1.00 5.28 H new ATOM 531 N ILE A 35 0.115 8.251 -1.783 1.00 1.83 N ATOM 532 CA ILE A 35 -1.104 7.710 -2.435 1.00 1.45 C ATOM 533 C ILE A 35 -2.309 7.869 -1.504 1.00 1.15 C ATOM 534 O ILE A 35 -2.173 8.313 -0.373 1.00 1.38 O ATOM 535 CB ILE A 35 -0.883 6.214 -2.700 1.00 1.58 C ATOM 536 CG1 ILE A 35 -0.598 5.471 -1.366 1.00 1.65 C ATOM 537 CG2 ILE A 35 0.301 6.037 -3.653 1.00 1.96 C ATOM 538 CD1 ILE A 35 -1.890 4.852 -0.820 1.00 2.20 C ATOM 0 H ILE A 35 0.342 7.813 -0.890 1.00 1.83 H new ATOM 0 HA ILE A 35 -1.293 8.248 -3.364 1.00 1.45 H new ATOM 0 HB ILE A 35 -1.782 5.794 -3.151 1.00 1.58 H new ATOM 0 HG12 ILE A 35 0.148 4.692 -1.527 1.00 1.65 H new ATOM 0 HG13 ILE A 35 -0.182 6.165 -0.636 1.00 1.65 H new ATOM 0 HG21 ILE A 35 0.460 4.975 -3.843 1.00 1.96 H new ATOM 0 HG22 ILE A 35 0.090 6.546 -4.593 1.00 1.96 H new ATOM 0 HG23 ILE A 35 1.197 6.463 -3.203 1.00 1.96 H new ATOM 0 HD11 ILE A 35 -1.678 4.334 0.115 1.00 2.20 H new ATOM 0 HD12 ILE A 35 -2.623 5.639 -0.641 1.00 2.20 H new ATOM 0 HD13 ILE A 35 -2.289 4.143 -1.546 1.00 2.20 H new ATOM 550 N ASP A 36 -3.456 7.510 -2.013 1.00 1.04 N ATOM 551 CA ASP A 36 -4.716 7.572 -1.209 1.00 1.10 C ATOM 552 C ASP A 36 -5.325 6.163 -1.237 1.00 0.96 C ATOM 553 O ASP A 36 -4.709 5.267 -1.784 1.00 1.08 O ATOM 554 CB ASP A 36 -5.685 8.591 -1.825 1.00 1.44 C ATOM 555 CG ASP A 36 -6.470 9.282 -0.706 1.00 3.11 C ATOM 556 OD1 ASP A 36 -7.131 8.571 0.026 1.00 4.49 O ATOM 557 OD2 ASP A 36 -6.314 10.487 -0.618 1.00 3.86 O ATOM 0 H ASP A 36 -3.578 7.171 -2.967 1.00 1.04 H new ATOM 0 HA ASP A 36 -4.517 7.888 -0.185 1.00 1.10 H new ATOM 0 HB2 ASP A 36 -5.133 9.329 -2.407 1.00 1.44 H new ATOM 0 HB3 ASP A 36 -6.370 8.091 -2.510 1.00 1.44 H new ATOM 562 N PHE A 37 -6.497 5.975 -0.680 1.00 0.94 N ATOM 563 CA PHE A 37 -7.097 4.605 -0.689 1.00 0.91 C ATOM 564 C PHE A 37 -8.559 4.613 -1.156 1.00 1.02 C ATOM 565 O PHE A 37 -9.205 5.648 -1.180 1.00 1.36 O ATOM 566 CB PHE A 37 -6.994 4.029 0.729 1.00 0.98 C ATOM 567 CG PHE A 37 -5.522 3.719 1.067 1.00 0.85 C ATOM 568 CD1 PHE A 37 -4.794 2.828 0.298 1.00 1.23 C ATOM 569 CD2 PHE A 37 -4.933 4.259 2.198 1.00 1.39 C ATOM 570 CE1 PHE A 37 -3.512 2.474 0.659 1.00 1.42 C ATOM 571 CE2 PHE A 37 -3.649 3.905 2.559 1.00 1.45 C ATOM 572 CZ PHE A 37 -2.939 3.007 1.791 1.00 1.19 C ATOM 0 H PHE A 37 -7.056 6.698 -0.227 1.00 0.94 H new ATOM 0 HA PHE A 37 -6.548 3.986 -1.399 1.00 0.91 H new ATOM 0 HB2 PHE A 37 -7.399 4.740 1.449 1.00 0.98 H new ATOM 0 HB3 PHE A 37 -7.592 3.121 0.806 1.00 0.98 H new ATOM 0 HD1 PHE A 37 -5.235 2.406 -0.593 1.00 1.23 H new ATOM 0 HD2 PHE A 37 -5.484 4.964 2.803 1.00 1.39 H new ATOM 0 HE1 PHE A 37 -2.955 1.776 0.052 1.00 1.42 H new ATOM 0 HE2 PHE A 37 -3.200 4.332 3.444 1.00 1.45 H new ATOM 0 HZ PHE A 37 -1.937 2.723 2.077 1.00 1.19 H new ATOM 582 N TRP A 38 -9.026 3.449 -1.534 1.00 1.04 N ATOM 583 CA TRP A 38 -10.436 3.304 -2.009 1.00 1.19 C ATOM 584 C TRP A 38 -11.096 2.145 -1.253 1.00 1.13 C ATOM 585 O TRP A 38 -12.180 2.274 -0.728 1.00 1.29 O ATOM 586 CB TRP A 38 -10.425 3.021 -3.519 1.00 1.31 C ATOM 587 CG TRP A 38 -11.795 2.953 -4.207 1.00 2.22 C ATOM 588 CD1 TRP A 38 -13.017 3.174 -3.628 1.00 3.28 C ATOM 589 CD2 TRP A 38 -12.098 2.651 -5.516 1.00 2.62 C ATOM 590 NE1 TRP A 38 -13.965 3.017 -4.502 1.00 4.19 N ATOM 591 CE2 TRP A 38 -13.474 2.691 -5.676 1.00 3.83 C ATOM 592 CE3 TRP A 38 -11.268 2.307 -6.568 1.00 2.28 C ATOM 593 CZ2 TRP A 38 -14.049 2.397 -6.884 1.00 4.53 C ATOM 594 CZ3 TRP A 38 -11.866 2.006 -7.786 1.00 3.01 C ATOM 595 CH2 TRP A 38 -13.241 2.047 -7.942 1.00 4.06 C ATOM 0 H TRP A 38 -8.485 2.585 -1.534 1.00 1.04 H new ATOM 0 HA TRP A 38 -11.000 4.218 -1.823 1.00 1.19 H new ATOM 0 HB2 TRP A 38 -9.834 3.796 -4.008 1.00 1.31 H new ATOM 0 HB3 TRP A 38 -9.911 2.075 -3.686 1.00 1.31 H new ATOM 0 HD1 TRP A 38 -13.170 3.441 -2.593 1.00 3.28 H new ATOM 0 HE1 TRP A 38 -14.959 3.132 -4.303 1.00 4.19 H new ATOM 0 HE3 TRP A 38 -10.195 2.274 -6.447 1.00 2.28 H new ATOM 0 HZ2 TRP A 38 -15.121 2.439 -7.005 1.00 4.53 H new ATOM 0 HZ3 TRP A 38 -11.246 1.735 -8.627 1.00 3.01 H new ATOM 0 HH2 TRP A 38 -13.681 1.803 -8.898 1.00 4.06 H new ATOM 606 N LYS A 39 -10.440 1.020 -1.272 1.00 0.99 N ATOM 607 CA LYS A 39 -10.969 -0.185 -0.558 1.00 1.02 C ATOM 608 C LYS A 39 -9.824 -0.816 0.253 1.00 0.91 C ATOM 609 O LYS A 39 -8.824 -1.195 -0.326 1.00 0.96 O ATOM 610 CB LYS A 39 -11.479 -1.214 -1.581 1.00 1.15 C ATOM 611 CG LYS A 39 -12.664 -0.632 -2.370 1.00 1.88 C ATOM 612 CD LYS A 39 -13.008 -1.546 -3.564 1.00 2.42 C ATOM 613 CE LYS A 39 -11.964 -1.383 -4.681 1.00 3.01 C ATOM 614 NZ LYS A 39 -11.887 0.042 -5.104 1.00 3.88 N ATOM 0 H LYS A 39 -9.552 0.878 -1.754 1.00 0.99 H new ATOM 0 HA LYS A 39 -11.788 0.108 0.099 1.00 1.02 H new ATOM 0 HB2 LYS A 39 -10.676 -1.487 -2.265 1.00 1.15 H new ATOM 0 HB3 LYS A 39 -11.786 -2.126 -1.069 1.00 1.15 H new ATOM 0 HG2 LYS A 39 -13.531 -0.532 -1.717 1.00 1.88 H new ATOM 0 HG3 LYS A 39 -12.417 0.368 -2.727 1.00 1.88 H new ATOM 0 HD2 LYS A 39 -13.041 -2.585 -3.237 1.00 2.42 H new ATOM 0 HD3 LYS A 39 -13.999 -1.300 -3.945 1.00 2.42 H new ATOM 0 HE2 LYS A 39 -10.989 -1.720 -4.330 1.00 3.01 H new ATOM 0 HE3 LYS A 39 -12.230 -2.009 -5.532 1.00 3.01 H new ATOM 0 HZ1 LYS A 39 -12.125 0.118 -6.113 1.00 3.88 H new ATOM 0 HZ2 LYS A 39 -12.559 0.607 -4.546 1.00 3.88 H new ATOM 0 HZ3 LYS A 39 -10.923 0.399 -4.948 1.00 3.88 H new ATOM 628 N PRO A 40 -9.964 -0.938 1.554 1.00 1.07 N ATOM 629 CA PRO A 40 -10.856 -0.104 2.409 1.00 1.41 C ATOM 630 C PRO A 40 -10.532 1.399 2.303 1.00 1.64 C ATOM 631 O PRO A 40 -9.823 1.830 1.410 1.00 2.44 O ATOM 632 CB PRO A 40 -10.596 -0.640 3.827 1.00 2.03 C ATOM 633 CG PRO A 40 -10.003 -2.054 3.639 1.00 1.77 C ATOM 634 CD PRO A 40 -9.255 -2.002 2.303 1.00 1.36 C ATOM 0 HA PRO A 40 -11.902 -0.176 2.110 1.00 1.41 H new ATOM 0 HB2 PRO A 40 -9.904 0.005 4.369 1.00 2.03 H new ATOM 0 HB3 PRO A 40 -11.518 -0.676 4.407 1.00 2.03 H new ATOM 0 HG2 PRO A 40 -9.330 -2.311 4.457 1.00 1.77 H new ATOM 0 HG3 PRO A 40 -10.787 -2.811 3.622 1.00 1.77 H new ATOM 0 HD2 PRO A 40 -8.201 -1.762 2.442 1.00 1.36 H new ATOM 0 HD3 PRO A 40 -9.298 -2.958 1.781 1.00 1.36 H new ATOM 642 N ASP A 41 -11.050 2.149 3.240 1.00 1.73 N ATOM 643 CA ASP A 41 -10.832 3.627 3.262 1.00 2.29 C ATOM 644 C ASP A 41 -9.683 4.002 4.204 1.00 1.89 C ATOM 645 O ASP A 41 -8.796 4.750 3.836 1.00 2.31 O ATOM 646 CB ASP A 41 -12.121 4.293 3.772 1.00 3.28 C ATOM 647 CG ASP A 41 -12.399 3.846 5.217 1.00 3.53 C ATOM 648 OD1 ASP A 41 -12.429 2.639 5.415 1.00 3.87 O ATOM 649 OD2 ASP A 41 -12.507 4.721 6.057 1.00 4.25 O ATOM 0 H ASP A 41 -11.625 1.794 4.004 1.00 1.73 H new ATOM 0 HA ASP A 41 -10.579 3.963 2.256 1.00 2.29 H new ATOM 0 HB2 ASP A 41 -12.023 5.378 3.729 1.00 3.28 H new ATOM 0 HB3 ASP A 41 -12.960 4.023 3.130 1.00 3.28 H new ATOM 654 N SER A 42 -9.727 3.473 5.400 1.00 1.69 N ATOM 655 CA SER A 42 -8.665 3.784 6.398 1.00 1.66 C ATOM 656 C SER A 42 -7.672 2.622 6.509 1.00 1.41 C ATOM 657 O SER A 42 -8.054 1.466 6.504 1.00 2.01 O ATOM 658 CB SER A 42 -9.341 4.019 7.754 1.00 2.01 C ATOM 659 OG SER A 42 -10.145 5.180 7.558 1.00 2.73 O ATOM 0 H SER A 42 -10.455 2.838 5.727 1.00 1.69 H new ATOM 0 HA SER A 42 -8.114 4.671 6.085 1.00 1.66 H new ATOM 0 HB2 SER A 42 -9.947 3.162 8.049 1.00 2.01 H new ATOM 0 HB3 SER A 42 -8.605 4.175 8.542 1.00 2.01 H new ATOM 0 HG SER A 42 -10.954 4.938 7.060 1.00 2.73 H new ATOM 665 N VAL A 43 -6.423 2.966 6.688 1.00 1.15 N ATOM 666 CA VAL A 43 -5.354 1.925 6.801 1.00 0.93 C ATOM 667 C VAL A 43 -4.911 1.839 8.276 1.00 1.10 C ATOM 668 O VAL A 43 -3.745 1.751 8.602 1.00 1.89 O ATOM 669 CB VAL A 43 -4.204 2.339 5.842 1.00 1.19 C ATOM 670 CG1 VAL A 43 -3.575 3.675 6.274 1.00 1.61 C ATOM 671 CG2 VAL A 43 -3.118 1.252 5.771 1.00 1.61 C ATOM 0 H VAL A 43 -6.094 3.929 6.761 1.00 1.15 H new ATOM 0 HA VAL A 43 -5.697 0.932 6.512 1.00 0.93 H new ATOM 0 HB VAL A 43 -4.640 2.461 4.850 1.00 1.19 H new ATOM 0 HG11 VAL A 43 -2.773 3.939 5.585 1.00 1.61 H new ATOM 0 HG12 VAL A 43 -4.336 4.456 6.263 1.00 1.61 H new ATOM 0 HG13 VAL A 43 -3.170 3.578 7.281 1.00 1.61 H new ATOM 0 HG21 VAL A 43 -2.327 1.571 5.092 1.00 1.61 H new ATOM 0 HG22 VAL A 43 -2.700 1.090 6.764 1.00 1.61 H new ATOM 0 HG23 VAL A 43 -3.556 0.323 5.406 1.00 1.61 H new ATOM 681 N THR A 44 -5.907 1.838 9.128 1.00 1.17 N ATOM 682 CA THR A 44 -5.666 1.776 10.608 1.00 1.46 C ATOM 683 C THR A 44 -6.283 0.514 11.231 1.00 1.65 C ATOM 684 O THR A 44 -5.578 -0.372 11.681 1.00 2.18 O ATOM 685 CB THR A 44 -6.314 3.009 11.245 1.00 1.73 C ATOM 686 OG1 THR A 44 -7.654 3.004 10.753 1.00 1.78 O ATOM 687 CG2 THR A 44 -5.698 4.304 10.710 1.00 1.92 C ATOM 0 H THR A 44 -6.890 1.878 8.859 1.00 1.17 H new ATOM 0 HA THR A 44 -4.591 1.749 10.788 1.00 1.46 H new ATOM 0 HB THR A 44 -6.203 2.972 12.329 1.00 1.73 H new ATOM 0 HG1 THR A 44 -8.140 3.771 11.121 1.00 1.78 H new ATOM 0 HG21 THR A 44 -6.181 5.159 11.183 1.00 1.92 H new ATOM 0 HG22 THR A 44 -4.632 4.320 10.935 1.00 1.92 H new ATOM 0 HG23 THR A 44 -5.842 4.357 9.631 1.00 1.92 H new ATOM 695 N GLN A 45 -7.590 0.459 11.228 1.00 1.87 N ATOM 696 CA GLN A 45 -8.306 -0.721 11.804 1.00 2.25 C ATOM 697 C GLN A 45 -8.341 -1.835 10.755 1.00 2.07 C ATOM 698 O GLN A 45 -9.370 -2.407 10.450 1.00 2.30 O ATOM 699 CB GLN A 45 -9.738 -0.305 12.214 1.00 2.83 C ATOM 700 CG GLN A 45 -10.328 0.672 11.184 1.00 2.56 C ATOM 701 CD GLN A 45 -11.838 0.817 11.406 1.00 3.16 C ATOM 702 OE1 GLN A 45 -12.317 0.897 12.519 1.00 4.19 O ATOM 703 NE2 GLN A 45 -12.621 0.870 10.372 1.00 3.45 N ATOM 0 H GLN A 45 -8.197 1.186 10.849 1.00 1.87 H new ATOM 0 HA GLN A 45 -7.788 -1.085 12.691 1.00 2.25 H new ATOM 0 HB2 GLN A 45 -10.372 -1.188 12.292 1.00 2.83 H new ATOM 0 HB3 GLN A 45 -9.720 0.162 13.199 1.00 2.83 H new ATOM 0 HG2 GLN A 45 -9.844 1.644 11.273 1.00 2.56 H new ATOM 0 HG3 GLN A 45 -10.133 0.311 10.174 1.00 2.56 H new ATOM 0 HE21 GLN A 45 -12.230 0.804 9.432 1.00 3.45 H new ATOM 0 HE22 GLN A 45 -13.627 0.978 10.499 1.00 3.45 H new ATOM 712 N ILE A 46 -7.183 -2.121 10.247 1.00 1.86 N ATOM 713 CA ILE A 46 -7.056 -3.173 9.204 1.00 1.72 C ATOM 714 C ILE A 46 -6.200 -4.314 9.745 1.00 1.48 C ATOM 715 O ILE A 46 -5.248 -4.089 10.464 1.00 1.38 O ATOM 716 CB ILE A 46 -6.397 -2.555 7.958 1.00 1.56 C ATOM 717 CG1 ILE A 46 -7.222 -1.395 7.421 1.00 2.35 C ATOM 718 CG2 ILE A 46 -6.163 -3.631 6.881 1.00 1.61 C ATOM 719 CD1 ILE A 46 -8.568 -1.909 7.000 1.00 3.15 C ATOM 0 H ILE A 46 -6.308 -1.668 10.510 1.00 1.86 H new ATOM 0 HA ILE A 46 -8.037 -3.565 8.936 1.00 1.72 H new ATOM 0 HB ILE A 46 -5.425 -2.154 8.246 1.00 1.56 H new ATOM 0 HG12 ILE A 46 -7.334 -0.627 8.186 1.00 2.35 H new ATOM 0 HG13 ILE A 46 -6.714 -0.931 6.575 1.00 2.35 H new ATOM 0 HG21 ILE A 46 -5.696 -3.176 6.007 1.00 1.61 H new ATOM 0 HG22 ILE A 46 -5.509 -4.407 7.278 1.00 1.61 H new ATOM 0 HG23 ILE A 46 -7.118 -4.072 6.594 1.00 1.61 H new ATOM 0 HD11 ILE A 46 -9.168 -1.085 6.613 1.00 3.15 H new ATOM 0 HD12 ILE A 46 -8.443 -2.663 6.223 1.00 3.15 H new ATOM 0 HD13 ILE A 46 -9.072 -2.353 7.858 1.00 3.15 H new ATOM 731 N LYS A 47 -6.575 -5.510 9.383 1.00 1.56 N ATOM 732 CA LYS A 47 -5.840 -6.722 9.841 1.00 1.40 C ATOM 733 C LYS A 47 -5.681 -7.678 8.636 1.00 1.11 C ATOM 734 O LYS A 47 -6.203 -7.390 7.578 1.00 1.40 O ATOM 735 CB LYS A 47 -6.654 -7.313 11.014 1.00 2.13 C ATOM 736 CG LYS A 47 -6.501 -6.385 12.245 1.00 3.58 C ATOM 737 CD LYS A 47 -5.054 -6.451 12.793 1.00 4.95 C ATOM 738 CE LYS A 47 -4.573 -5.065 13.263 1.00 6.50 C ATOM 739 NZ LYS A 47 -3.089 -5.087 13.438 1.00 7.74 N ATOM 0 H LYS A 47 -7.374 -5.701 8.778 1.00 1.56 H new ATOM 0 HA LYS A 47 -4.832 -6.516 10.201 1.00 1.40 H new ATOM 0 HB2 LYS A 47 -7.704 -7.403 10.737 1.00 2.13 H new ATOM 0 HB3 LYS A 47 -6.300 -8.316 11.251 1.00 2.13 H new ATOM 0 HG2 LYS A 47 -6.746 -5.360 11.968 1.00 3.58 H new ATOM 0 HG3 LYS A 47 -7.205 -6.682 13.022 1.00 3.58 H new ATOM 0 HD2 LYS A 47 -5.009 -7.156 13.623 1.00 4.95 H new ATOM 0 HD3 LYS A 47 -4.386 -6.828 12.019 1.00 4.95 H new ATOM 0 HE2 LYS A 47 -4.853 -4.304 12.534 1.00 6.50 H new ATOM 0 HE3 LYS A 47 -5.057 -4.799 14.203 1.00 6.50 H new ATOM 0 HZ1 LYS A 47 -2.824 -4.467 14.230 1.00 7.74 H new ATOM 0 HZ2 LYS A 47 -2.778 -6.059 13.639 1.00 7.74 H new ATOM 0 HZ3 LYS A 47 -2.632 -4.750 12.567 1.00 7.74 H new ATOM 753 N PRO A 48 -4.880 -8.720 8.796 1.00 0.87 N ATOM 754 CA PRO A 48 -4.443 -9.609 7.677 1.00 0.79 C ATOM 755 C PRO A 48 -5.554 -10.103 6.733 1.00 0.90 C ATOM 756 O PRO A 48 -6.720 -9.784 6.879 1.00 1.11 O ATOM 757 CB PRO A 48 -3.773 -10.787 8.386 1.00 0.88 C ATOM 758 CG PRO A 48 -3.265 -10.212 9.723 1.00 1.00 C ATOM 759 CD PRO A 48 -4.258 -9.098 10.095 1.00 1.02 C ATOM 0 HA PRO A 48 -3.794 -9.050 7.002 1.00 0.79 H new ATOM 0 HB2 PRO A 48 -4.478 -11.602 8.549 1.00 0.88 H new ATOM 0 HB3 PRO A 48 -2.952 -11.190 7.792 1.00 0.88 H new ATOM 0 HG2 PRO A 48 -3.232 -10.982 10.494 1.00 1.00 H new ATOM 0 HG3 PRO A 48 -2.254 -9.818 9.622 1.00 1.00 H new ATOM 0 HD2 PRO A 48 -5.004 -9.450 10.807 1.00 1.02 H new ATOM 0 HD3 PRO A 48 -3.752 -8.250 10.557 1.00 1.02 H new ATOM 767 N HIS A 49 -5.124 -10.909 5.779 1.00 0.97 N ATOM 768 CA HIS A 49 -6.036 -11.512 4.752 1.00 1.20 C ATOM 769 C HIS A 49 -7.274 -10.651 4.458 1.00 1.29 C ATOM 770 O HIS A 49 -8.390 -10.989 4.820 1.00 1.60 O ATOM 771 CB HIS A 49 -6.460 -12.916 5.222 1.00 1.38 C ATOM 772 CG HIS A 49 -6.732 -13.012 6.724 1.00 1.72 C ATOM 773 ND1 HIS A 49 -7.459 -12.123 7.332 1.00 3.39 N ATOM 774 CD2 HIS A 49 -6.348 -13.922 7.674 1.00 1.87 C ATOM 775 CE1 HIS A 49 -7.546 -12.442 8.602 1.00 4.08 C ATOM 776 NE2 HIS A 49 -6.865 -13.541 8.805 1.00 2.93 N ATOM 0 H HIS A 49 -4.146 -11.179 5.671 1.00 0.97 H new ATOM 0 HA HIS A 49 -5.481 -11.572 3.816 1.00 1.20 H new ATOM 0 HB2 HIS A 49 -7.358 -13.214 4.681 1.00 1.38 H new ATOM 0 HB3 HIS A 49 -5.678 -13.628 4.958 1.00 1.38 H new ATOM 0 HD1 HIS A 49 -7.892 -11.310 6.894 1.00 3.39 H new ATOM 0 HD2 HIS A 49 -5.731 -14.794 7.513 1.00 1.87 H new ATOM 0 HE1 HIS A 49 -8.089 -11.890 9.354 1.00 4.08 H new ATOM 784 N SER A 50 -7.012 -9.520 3.864 1.00 1.26 N ATOM 785 CA SER A 50 -8.113 -8.593 3.474 1.00 1.48 C ATOM 786 C SER A 50 -7.808 -8.027 2.071 1.00 1.68 C ATOM 787 O SER A 50 -8.444 -8.428 1.115 1.00 3.30 O ATOM 788 CB SER A 50 -8.243 -7.483 4.530 1.00 1.39 C ATOM 789 OG SER A 50 -6.905 -7.121 4.858 1.00 1.80 O ATOM 0 H SER A 50 -6.074 -9.195 3.630 1.00 1.26 H new ATOM 0 HA SER A 50 -9.068 -9.117 3.430 1.00 1.48 H new ATOM 0 HB2 SER A 50 -8.797 -6.630 4.138 1.00 1.39 H new ATOM 0 HB3 SER A 50 -8.782 -7.837 5.409 1.00 1.39 H new ATOM 0 HG SER A 50 -6.754 -7.262 5.816 1.00 1.80 H new ATOM 795 N THR A 51 -6.829 -7.136 2.004 1.00 1.16 N ATOM 796 CA THR A 51 -6.366 -6.476 0.706 1.00 1.09 C ATOM 797 C THR A 51 -6.649 -4.972 0.730 1.00 1.11 C ATOM 798 O THR A 51 -7.536 -4.509 1.427 1.00 1.50 O ATOM 799 CB THR A 51 -7.061 -7.057 -0.551 1.00 1.32 C ATOM 800 OG1 THR A 51 -6.633 -8.404 -0.621 1.00 2.06 O ATOM 801 CG2 THR A 51 -6.540 -6.446 -1.861 1.00 2.10 C ATOM 0 H THR A 51 -6.309 -6.824 2.824 1.00 1.16 H new ATOM 0 HA THR A 51 -5.296 -6.677 0.644 1.00 1.09 H new ATOM 0 HB THR A 51 -8.133 -6.881 -0.462 1.00 1.32 H new ATOM 0 HG1 THR A 51 -7.284 -8.978 -0.166 1.00 2.06 H new ATOM 0 HG21 THR A 51 -7.065 -6.893 -2.705 1.00 2.10 H new ATOM 0 HG22 THR A 51 -6.713 -5.370 -1.855 1.00 2.10 H new ATOM 0 HG23 THR A 51 -5.472 -6.641 -1.954 1.00 2.10 H new ATOM 809 N VAL A 52 -5.887 -4.250 -0.067 1.00 0.88 N ATOM 810 CA VAL A 52 -6.070 -2.764 -0.158 1.00 0.95 C ATOM 811 C VAL A 52 -6.143 -2.345 -1.641 1.00 0.91 C ATOM 812 O VAL A 52 -5.614 -3.035 -2.501 1.00 1.24 O ATOM 813 CB VAL A 52 -4.877 -2.050 0.504 1.00 1.17 C ATOM 814 CG1 VAL A 52 -5.290 -0.619 0.885 1.00 2.08 C ATOM 815 CG2 VAL A 52 -4.414 -2.812 1.758 1.00 1.35 C ATOM 0 H VAL A 52 -5.147 -4.629 -0.658 1.00 0.88 H new ATOM 0 HA VAL A 52 -6.992 -2.487 0.353 1.00 0.95 H new ATOM 0 HB VAL A 52 -4.048 -2.019 -0.203 1.00 1.17 H new ATOM 0 HG11 VAL A 52 -4.448 -0.110 1.354 1.00 2.08 H new ATOM 0 HG12 VAL A 52 -5.589 -0.076 -0.011 1.00 2.08 H new ATOM 0 HG13 VAL A 52 -6.126 -0.655 1.583 1.00 2.08 H new ATOM 0 HG21 VAL A 52 -3.570 -2.290 2.210 1.00 1.35 H new ATOM 0 HG22 VAL A 52 -5.234 -2.866 2.475 1.00 1.35 H new ATOM 0 HG23 VAL A 52 -4.110 -3.821 1.479 1.00 1.35 H new ATOM 825 N ASP A 53 -6.790 -1.241 -1.912 1.00 0.84 N ATOM 826 CA ASP A 53 -6.904 -0.760 -3.321 1.00 0.95 C ATOM 827 C ASP A 53 -6.656 0.752 -3.425 1.00 0.95 C ATOM 828 O ASP A 53 -7.023 1.487 -2.519 1.00 0.89 O ATOM 829 CB ASP A 53 -8.325 -1.052 -3.804 1.00 1.24 C ATOM 830 CG ASP A 53 -8.441 -0.630 -5.262 1.00 2.01 C ATOM 831 OD1 ASP A 53 -7.723 -1.216 -6.043 1.00 2.72 O ATOM 832 OD2 ASP A 53 -9.229 0.252 -5.505 1.00 3.36 O ATOM 0 H ASP A 53 -7.245 -0.650 -1.216 1.00 0.84 H new ATOM 0 HA ASP A 53 -6.155 -1.270 -3.927 1.00 0.95 H new ATOM 0 HB2 ASP A 53 -8.549 -2.113 -3.699 1.00 1.24 H new ATOM 0 HB3 ASP A 53 -9.050 -0.511 -3.195 1.00 1.24 H new ATOM 837 N PHE A 54 -6.050 1.171 -4.523 1.00 1.35 N ATOM 838 CA PHE A 54 -5.782 2.628 -4.759 1.00 1.59 C ATOM 839 C PHE A 54 -5.013 2.805 -6.069 1.00 1.34 C ATOM 840 O PHE A 54 -4.693 1.825 -6.725 1.00 1.68 O ATOM 841 CB PHE A 54 -4.945 3.236 -3.626 1.00 2.00 C ATOM 842 CG PHE A 54 -3.574 2.561 -3.509 1.00 1.55 C ATOM 843 CD1 PHE A 54 -3.426 1.402 -2.773 1.00 1.64 C ATOM 844 CD2 PHE A 54 -2.458 3.130 -4.099 1.00 1.85 C ATOM 845 CE1 PHE A 54 -2.183 0.825 -2.622 1.00 1.87 C ATOM 846 CE2 PHE A 54 -1.214 2.552 -3.947 1.00 2.00 C ATOM 847 CZ PHE A 54 -1.077 1.399 -3.206 1.00 1.94 C ATOM 0 H PHE A 54 -5.729 0.555 -5.270 1.00 1.35 H new ATOM 0 HA PHE A 54 -6.745 3.137 -4.802 1.00 1.59 H new ATOM 0 HB2 PHE A 54 -4.811 4.303 -3.805 1.00 2.00 H new ATOM 0 HB3 PHE A 54 -5.482 3.135 -2.683 1.00 2.00 H new ATOM 0 HD1 PHE A 54 -4.289 0.945 -2.313 1.00 1.64 H new ATOM 0 HD2 PHE A 54 -2.562 4.033 -4.682 1.00 1.85 H new ATOM 0 HE1 PHE A 54 -2.077 -0.081 -2.043 1.00 1.87 H new ATOM 0 HE2 PHE A 54 -0.348 3.003 -4.409 1.00 2.00 H new ATOM 0 HZ PHE A 54 -0.104 0.947 -3.084 1.00 1.94 H new ATOM 857 N ARG A 55 -4.735 4.047 -6.425 1.00 1.49 N ATOM 858 CA ARG A 55 -3.968 4.320 -7.684 1.00 1.78 C ATOM 859 C ARG A 55 -2.831 5.314 -7.404 1.00 1.51 C ATOM 860 O ARG A 55 -2.677 5.787 -6.292 1.00 1.79 O ATOM 861 CB ARG A 55 -4.869 4.942 -8.763 1.00 2.77 C ATOM 862 CG ARG A 55 -6.223 4.232 -8.854 1.00 3.59 C ATOM 863 CD ARG A 55 -6.874 4.552 -10.216 1.00 4.85 C ATOM 864 NE ARG A 55 -6.424 5.906 -10.707 1.00 5.09 N ATOM 865 CZ ARG A 55 -5.790 6.014 -11.844 1.00 6.40 C ATOM 866 NH1 ARG A 55 -6.484 6.003 -12.940 1.00 7.61 N ATOM 867 NH2 ARG A 55 -4.491 6.105 -11.841 1.00 7.00 N ATOM 0 H ARG A 55 -5.007 4.876 -5.897 1.00 1.49 H new ATOM 0 HA ARG A 55 -3.576 3.366 -8.035 1.00 1.78 H new ATOM 0 HB2 ARG A 55 -5.027 5.997 -8.540 1.00 2.77 H new ATOM 0 HB3 ARG A 55 -4.367 4.891 -9.729 1.00 2.77 H new ATOM 0 HG2 ARG A 55 -6.091 3.156 -8.745 1.00 3.59 H new ATOM 0 HG3 ARG A 55 -6.873 4.557 -8.042 1.00 3.59 H new ATOM 0 HD2 ARG A 55 -6.606 3.786 -10.944 1.00 4.85 H new ATOM 0 HD3 ARG A 55 -7.960 4.535 -10.121 1.00 4.85 H new ATOM 0 HE ARG A 55 -6.615 6.739 -10.150 1.00 5.09 H new ATOM 0 HH11 ARG A 55 -7.499 5.912 -12.900 1.00 7.61 H new ATOM 0 HH12 ARG A 55 -6.015 6.086 -13.842 1.00 7.61 H new ATOM 0 HH21 ARG A 55 -3.981 6.091 -10.958 1.00 7.00 H new ATOM 0 HH22 ARG A 55 -3.984 6.190 -12.722 1.00 7.00 H new ATOM 881 N VAL A 56 -2.079 5.617 -8.431 1.00 1.85 N ATOM 882 CA VAL A 56 -0.951 6.583 -8.264 1.00 2.29 C ATOM 883 C VAL A 56 -1.152 7.689 -9.309 1.00 1.78 C ATOM 884 O VAL A 56 -2.020 7.542 -10.173 1.00 2.14 O ATOM 885 CB VAL A 56 0.388 5.840 -8.490 1.00 3.55 C ATOM 886 CG1 VAL A 56 1.542 6.590 -7.802 1.00 5.13 C ATOM 887 CG2 VAL A 56 0.310 4.414 -7.920 1.00 4.50 C ATOM 0 H VAL A 56 -2.196 5.241 -9.372 1.00 1.85 H new ATOM 0 HA VAL A 56 -0.929 7.015 -7.264 1.00 2.29 H new ATOM 0 HB VAL A 56 0.573 5.795 -9.563 1.00 3.55 H new ATOM 0 HG11 VAL A 56 2.476 6.054 -7.971 1.00 5.13 H new ATOM 0 HG12 VAL A 56 1.621 7.595 -8.216 1.00 5.13 H new ATOM 0 HG13 VAL A 56 1.348 6.653 -6.731 1.00 5.13 H new ATOM 0 HG21 VAL A 56 1.259 3.903 -8.086 1.00 4.50 H new ATOM 0 HG22 VAL A 56 0.105 4.460 -6.850 1.00 4.50 H new ATOM 0 HG23 VAL A 56 -0.489 3.866 -8.419 1.00 4.50 H new ATOM 897 N LYS A 57 -0.397 8.758 -9.210 1.00 1.86 N ATOM 898 CA LYS A 57 -0.553 9.855 -10.210 1.00 1.75 C ATOM 899 C LYS A 57 0.483 9.589 -11.307 1.00 1.80 C ATOM 900 O LYS A 57 0.493 8.507 -11.853 1.00 2.62 O ATOM 901 CB LYS A 57 -0.287 11.200 -9.518 1.00 2.43 C ATOM 902 CG LYS A 57 -1.199 11.356 -8.287 1.00 2.56 C ATOM 903 CD LYS A 57 -0.622 12.388 -7.300 1.00 3.24 C ATOM 904 CE LYS A 57 -0.466 13.762 -7.967 1.00 4.10 C ATOM 905 NZ LYS A 57 0.789 13.818 -8.765 1.00 4.67 N ATOM 0 H LYS A 57 0.309 8.915 -8.491 1.00 1.86 H new ATOM 0 HA LYS A 57 -1.556 9.890 -10.635 1.00 1.75 H new ATOM 0 HB2 LYS A 57 0.758 11.261 -9.215 1.00 2.43 H new ATOM 0 HB3 LYS A 57 -0.464 12.018 -10.217 1.00 2.43 H new ATOM 0 HG2 LYS A 57 -2.194 11.668 -8.604 1.00 2.56 H new ATOM 0 HG3 LYS A 57 -1.311 10.393 -7.788 1.00 2.56 H new ATOM 0 HD2 LYS A 57 -1.277 12.473 -6.433 1.00 3.24 H new ATOM 0 HD3 LYS A 57 0.346 12.045 -6.935 1.00 3.24 H new ATOM 0 HE2 LYS A 57 -1.322 13.958 -8.612 1.00 4.10 H new ATOM 0 HE3 LYS A 57 -0.455 14.542 -7.206 1.00 4.10 H new ATOM 0 HZ1 LYS A 57 1.147 14.794 -8.781 1.00 4.67 H new ATOM 0 HZ2 LYS A 57 1.502 13.194 -8.335 1.00 4.67 H new ATOM 0 HZ3 LYS A 57 0.596 13.504 -9.738 1.00 4.67 H new ATOM 919 N ALA A 58 1.313 10.550 -11.613 1.00 1.96 N ATOM 920 CA ALA A 58 2.359 10.335 -12.656 1.00 2.03 C ATOM 921 C ALA A 58 3.712 10.651 -12.018 1.00 2.09 C ATOM 922 O ALA A 58 4.575 9.802 -11.870 1.00 2.44 O ATOM 923 CB ALA A 58 2.086 11.277 -13.835 1.00 2.36 C ATOM 0 H ALA A 58 1.312 11.476 -11.185 1.00 1.96 H new ATOM 0 HA ALA A 58 2.352 9.309 -13.025 1.00 2.03 H new ATOM 0 HB1 ALA A 58 2.845 11.128 -14.603 1.00 2.36 H new ATOM 0 HB2 ALA A 58 1.102 11.063 -14.251 1.00 2.36 H new ATOM 0 HB3 ALA A 58 2.117 12.310 -13.490 1.00 2.36 H new ATOM 929 N GLU A 59 3.836 11.884 -11.644 1.00 2.47 N ATOM 930 CA GLU A 59 5.070 12.383 -10.982 1.00 2.70 C ATOM 931 C GLU A 59 5.520 11.436 -9.858 1.00 2.13 C ATOM 932 O GLU A 59 6.695 11.345 -9.565 1.00 2.54 O ATOM 933 CB GLU A 59 4.778 13.768 -10.371 1.00 3.28 C ATOM 934 CG GLU A 59 3.890 14.622 -11.304 1.00 4.26 C ATOM 935 CD GLU A 59 2.426 14.559 -10.841 1.00 4.29 C ATOM 936 OE1 GLU A 59 1.781 13.561 -11.142 1.00 4.38 O ATOM 937 OE2 GLU A 59 2.030 15.491 -10.162 1.00 5.02 O ATOM 0 H GLU A 59 3.113 12.592 -11.772 1.00 2.47 H new ATOM 0 HA GLU A 59 5.864 12.441 -11.727 1.00 2.70 H new ATOM 0 HB2 GLU A 59 4.283 13.645 -9.408 1.00 3.28 H new ATOM 0 HB3 GLU A 59 5.717 14.289 -10.183 1.00 3.28 H new ATOM 0 HG2 GLU A 59 4.236 15.656 -11.303 1.00 4.26 H new ATOM 0 HG3 GLU A 59 3.972 14.260 -12.329 1.00 4.26 H new ATOM 944 N ASP A 60 4.572 10.758 -9.251 1.00 1.73 N ATOM 945 CA ASP A 60 4.887 9.840 -8.105 1.00 1.83 C ATOM 946 C ASP A 60 4.773 8.327 -8.395 1.00 1.69 C ATOM 947 O ASP A 60 4.626 7.546 -7.476 1.00 2.21 O ATOM 948 CB ASP A 60 3.953 10.210 -6.936 1.00 2.63 C ATOM 949 CG ASP A 60 2.578 10.639 -7.473 1.00 3.94 C ATOM 950 OD1 ASP A 60 2.515 11.778 -7.918 1.00 4.63 O ATOM 951 OD2 ASP A 60 1.680 9.817 -7.453 1.00 4.88 O ATOM 0 H ASP A 60 3.584 10.802 -9.503 1.00 1.73 H new ATOM 0 HA ASP A 60 5.942 9.992 -7.877 1.00 1.83 H new ATOM 0 HB2 ASP A 60 3.841 9.357 -6.266 1.00 2.63 H new ATOM 0 HB3 ASP A 60 4.392 11.019 -6.352 1.00 2.63 H new ATOM 956 N ILE A 61 4.981 7.898 -9.615 1.00 1.51 N ATOM 957 CA ILE A 61 4.905 6.405 -9.909 1.00 1.57 C ATOM 958 C ILE A 61 6.306 5.813 -9.684 1.00 1.59 C ATOM 959 O ILE A 61 6.901 5.109 -10.477 1.00 3.23 O ATOM 960 CB ILE A 61 4.543 6.230 -11.343 1.00 1.72 C ATOM 961 CG1 ILE A 61 3.189 6.918 -11.610 1.00 2.00 C ATOM 962 CG2 ILE A 61 4.444 4.722 -11.728 1.00 2.13 C ATOM 963 CD1 ILE A 61 2.707 6.610 -13.032 1.00 2.91 C ATOM 0 H ILE A 61 5.197 8.492 -10.416 1.00 1.51 H new ATOM 0 HA ILE A 61 4.169 5.916 -9.270 1.00 1.57 H new ATOM 0 HB ILE A 61 5.326 6.682 -11.952 1.00 1.72 H new ATOM 0 HG12 ILE A 61 2.450 6.575 -10.886 1.00 2.00 H new ATOM 0 HG13 ILE A 61 3.288 7.995 -11.478 1.00 2.00 H new ATOM 0 HG21 ILE A 61 4.178 4.632 -12.781 1.00 2.13 H new ATOM 0 HG22 ILE A 61 5.405 4.238 -11.554 1.00 2.13 H new ATOM 0 HG23 ILE A 61 3.679 4.240 -11.118 1.00 2.13 H new ATOM 0 HD11 ILE A 61 1.750 7.102 -13.206 1.00 2.91 H new ATOM 0 HD12 ILE A 61 3.440 6.975 -13.752 1.00 2.91 H new ATOM 0 HD13 ILE A 61 2.588 5.533 -13.151 1.00 2.91 H new ATOM 975 N LEU A 62 6.849 6.379 -8.720 1.00 1.05 N ATOM 976 CA LEU A 62 8.185 5.977 -8.228 1.00 1.26 C ATOM 977 C LEU A 62 8.146 5.613 -6.744 1.00 1.23 C ATOM 978 O LEU A 62 8.629 4.572 -6.355 1.00 1.35 O ATOM 979 CB LEU A 62 9.184 7.122 -8.458 1.00 1.73 C ATOM 980 CG LEU A 62 8.651 8.442 -7.858 1.00 4.00 C ATOM 981 CD1 LEU A 62 9.323 8.736 -6.511 1.00 5.75 C ATOM 982 CD2 LEU A 62 8.964 9.579 -8.825 1.00 4.92 C ATOM 0 H LEU A 62 6.426 7.149 -8.202 1.00 1.05 H new ATOM 0 HA LEU A 62 8.501 5.093 -8.783 1.00 1.26 H new ATOM 0 HB2 LEU A 62 10.143 6.871 -8.004 1.00 1.73 H new ATOM 0 HB3 LEU A 62 9.361 7.248 -9.526 1.00 1.73 H new ATOM 0 HG LEU A 62 7.576 8.352 -7.701 1.00 4.00 H new ATOM 0 HD11 LEU A 62 8.933 9.670 -6.106 1.00 5.75 H new ATOM 0 HD12 LEU A 62 9.114 7.924 -5.815 1.00 5.75 H new ATOM 0 HD13 LEU A 62 10.400 8.824 -6.653 1.00 5.75 H new ATOM 0 HD21 LEU A 62 8.593 10.518 -8.414 1.00 4.92 H new ATOM 0 HD22 LEU A 62 10.042 9.647 -8.970 1.00 4.92 H new ATOM 0 HD23 LEU A 62 8.481 9.386 -9.783 1.00 4.92 H new ATOM 994 N ALA A 63 7.504 6.432 -5.954 1.00 1.42 N ATOM 995 CA ALA A 63 7.483 6.146 -4.486 1.00 1.63 C ATOM 996 C ALA A 63 6.731 4.866 -4.180 1.00 1.29 C ATOM 997 O ALA A 63 7.145 4.098 -3.347 1.00 1.38 O ATOM 998 CB ALA A 63 6.837 7.307 -3.731 1.00 2.17 C ATOM 0 H ALA A 63 7.003 7.269 -6.251 1.00 1.42 H new ATOM 0 HA ALA A 63 8.516 6.024 -4.160 1.00 1.63 H new ATOM 0 HB1 ALA A 63 6.828 7.087 -2.664 1.00 2.17 H new ATOM 0 HB2 ALA A 63 7.408 8.219 -3.908 1.00 2.17 H new ATOM 0 HB3 ALA A 63 5.814 7.445 -4.082 1.00 2.17 H new ATOM 1004 N VAL A 64 5.627 4.670 -4.833 1.00 1.19 N ATOM 1005 CA VAL A 64 4.859 3.424 -4.575 1.00 1.10 C ATOM 1006 C VAL A 64 5.715 2.227 -4.981 1.00 0.69 C ATOM 1007 O VAL A 64 5.993 1.357 -4.172 1.00 0.72 O ATOM 1008 CB VAL A 64 3.574 3.465 -5.414 1.00 1.39 C ATOM 1009 CG1 VAL A 64 2.744 2.199 -5.159 1.00 1.81 C ATOM 1010 CG2 VAL A 64 2.756 4.701 -5.019 1.00 1.88 C ATOM 0 H VAL A 64 5.226 5.305 -5.523 1.00 1.19 H new ATOM 0 HA VAL A 64 4.602 3.337 -3.519 1.00 1.10 H new ATOM 0 HB VAL A 64 3.832 3.515 -6.472 1.00 1.39 H new ATOM 0 HG11 VAL A 64 1.834 2.234 -5.757 1.00 1.81 H new ATOM 0 HG12 VAL A 64 3.326 1.320 -5.436 1.00 1.81 H new ATOM 0 HG13 VAL A 64 2.482 2.142 -4.102 1.00 1.81 H new ATOM 0 HG21 VAL A 64 1.842 4.737 -5.611 1.00 1.88 H new ATOM 0 HG22 VAL A 64 2.501 4.646 -3.961 1.00 1.88 H new ATOM 0 HG23 VAL A 64 3.343 5.600 -5.204 1.00 1.88 H new ATOM 1020 N GLU A 65 6.126 2.222 -6.228 1.00 0.61 N ATOM 1021 CA GLU A 65 6.964 1.097 -6.722 1.00 0.79 C ATOM 1022 C GLU A 65 8.183 0.941 -5.777 1.00 0.84 C ATOM 1023 O GLU A 65 8.435 -0.135 -5.274 1.00 1.01 O ATOM 1024 CB GLU A 65 7.380 1.382 -8.185 1.00 1.02 C ATOM 1025 CG GLU A 65 6.146 1.835 -9.026 1.00 1.28 C ATOM 1026 CD GLU A 65 6.500 1.877 -10.526 1.00 2.03 C ATOM 1027 OE1 GLU A 65 7.570 2.371 -10.817 1.00 3.41 O ATOM 1028 OE2 GLU A 65 5.687 1.419 -11.312 1.00 2.42 O ATOM 0 H GLU A 65 5.916 2.945 -6.916 1.00 0.61 H new ATOM 0 HA GLU A 65 6.413 0.156 -6.718 1.00 0.79 H new ATOM 0 HB2 GLU A 65 8.147 2.157 -8.207 1.00 1.02 H new ATOM 0 HB3 GLU A 65 7.819 0.487 -8.625 1.00 1.02 H new ATOM 0 HG2 GLU A 65 5.315 1.149 -8.862 1.00 1.28 H new ATOM 0 HG3 GLU A 65 5.816 2.820 -8.697 1.00 1.28 H new ATOM 1035 N ASP A 66 8.888 2.022 -5.522 1.00 0.90 N ATOM 1036 CA ASP A 66 10.068 1.955 -4.599 1.00 1.15 C ATOM 1037 C ASP A 66 9.624 1.371 -3.250 1.00 1.05 C ATOM 1038 O ASP A 66 10.088 0.330 -2.844 1.00 1.15 O ATOM 1039 CB ASP A 66 10.622 3.372 -4.372 1.00 1.34 C ATOM 1040 CG ASP A 66 11.917 3.293 -3.557 1.00 1.87 C ATOM 1041 OD1 ASP A 66 12.944 2.994 -4.160 1.00 1.87 O ATOM 1042 OD2 ASP A 66 11.793 3.495 -2.367 1.00 2.99 O ATOM 0 H ASP A 66 8.697 2.945 -5.913 1.00 0.90 H new ATOM 0 HA ASP A 66 10.839 1.324 -5.041 1.00 1.15 H new ATOM 0 HB2 ASP A 66 10.812 3.857 -5.330 1.00 1.34 H new ATOM 0 HB3 ASP A 66 9.886 3.981 -3.847 1.00 1.34 H new ATOM 1047 N PHE A 67 8.711 2.061 -2.614 1.00 0.92 N ATOM 1048 CA PHE A 67 8.174 1.608 -1.289 1.00 0.92 C ATOM 1049 C PHE A 67 7.891 0.106 -1.301 1.00 0.76 C ATOM 1050 O PHE A 67 8.138 -0.597 -0.332 1.00 0.99 O ATOM 1051 CB PHE A 67 6.877 2.379 -0.969 1.00 0.93 C ATOM 1052 CG PHE A 67 6.421 2.028 0.452 1.00 1.05 C ATOM 1053 CD1 PHE A 67 5.695 0.869 0.679 1.00 0.81 C ATOM 1054 CD2 PHE A 67 6.756 2.835 1.527 1.00 1.59 C ATOM 1055 CE1 PHE A 67 5.315 0.525 1.956 1.00 0.95 C ATOM 1056 CE2 PHE A 67 6.371 2.487 2.803 1.00 1.70 C ATOM 1057 CZ PHE A 67 5.653 1.329 3.017 1.00 1.31 C ATOM 0 H PHE A 67 8.308 2.932 -2.960 1.00 0.92 H new ATOM 0 HA PHE A 67 8.922 1.811 -0.523 1.00 0.92 H new ATOM 0 HB2 PHE A 67 7.047 3.452 -1.055 1.00 0.93 H new ATOM 0 HB3 PHE A 67 6.099 2.121 -1.688 1.00 0.93 H new ATOM 0 HD1 PHE A 67 5.426 0.233 -0.151 1.00 0.81 H new ATOM 0 HD2 PHE A 67 7.321 3.741 1.364 1.00 1.59 H new ATOM 0 HE1 PHE A 67 4.749 -0.380 2.124 1.00 0.95 H new ATOM 0 HE2 PHE A 67 6.632 3.122 3.637 1.00 1.70 H new ATOM 0 HZ PHE A 67 5.357 1.055 4.019 1.00 1.31 H new ATOM 1067 N LEU A 68 7.350 -0.349 -2.393 1.00 0.61 N ATOM 1068 CA LEU A 68 7.035 -1.802 -2.507 1.00 0.77 C ATOM 1069 C LEU A 68 8.298 -2.609 -2.859 1.00 1.04 C ATOM 1070 O LEU A 68 8.843 -3.295 -2.008 1.00 1.78 O ATOM 1071 CB LEU A 68 5.977 -1.982 -3.607 1.00 0.90 C ATOM 1072 CG LEU A 68 4.723 -1.164 -3.257 1.00 0.89 C ATOM 1073 CD1 LEU A 68 3.823 -1.057 -4.498 1.00 1.13 C ATOM 1074 CD2 LEU A 68 3.963 -1.867 -2.127 1.00 1.03 C ATOM 0 H LEU A 68 7.112 0.216 -3.208 1.00 0.61 H new ATOM 0 HA LEU A 68 6.658 -2.168 -1.552 1.00 0.77 H new ATOM 0 HB2 LEU A 68 6.378 -1.658 -4.567 1.00 0.90 H new ATOM 0 HB3 LEU A 68 5.719 -3.036 -3.708 1.00 0.90 H new ATOM 0 HG LEU A 68 5.012 -0.164 -2.934 1.00 0.89 H new ATOM 0 HD11 LEU A 68 2.933 -0.478 -4.253 1.00 1.13 H new ATOM 0 HD12 LEU A 68 4.368 -0.562 -5.301 1.00 1.13 H new ATOM 0 HD13 LEU A 68 3.528 -2.055 -4.821 1.00 1.13 H new ATOM 0 HD21 LEU A 68 3.073 -1.291 -1.874 1.00 1.03 H new ATOM 0 HD22 LEU A 68 3.670 -2.865 -2.452 1.00 1.03 H new ATOM 0 HD23 LEU A 68 4.605 -1.945 -1.250 1.00 1.03 H new ATOM 1086 N GLU A 69 8.733 -2.486 -4.089 1.00 0.81 N ATOM 1087 CA GLU A 69 9.941 -3.229 -4.565 1.00 1.02 C ATOM 1088 C GLU A 69 11.115 -3.160 -3.579 1.00 1.19 C ATOM 1089 O GLU A 69 11.731 -4.171 -3.314 1.00 1.54 O ATOM 1090 CB GLU A 69 10.386 -2.668 -5.928 1.00 1.09 C ATOM 1091 CG GLU A 69 10.264 -3.760 -7.014 1.00 1.37 C ATOM 1092 CD GLU A 69 8.805 -3.977 -7.454 1.00 2.42 C ATOM 1093 OE1 GLU A 69 7.924 -3.577 -6.711 1.00 3.69 O ATOM 1094 OE2 GLU A 69 8.654 -4.572 -8.510 1.00 3.19 O ATOM 0 H GLU A 69 8.295 -1.893 -4.794 1.00 0.81 H new ATOM 0 HA GLU A 69 9.656 -4.277 -4.652 1.00 1.02 H new ATOM 0 HB2 GLU A 69 9.772 -1.808 -6.195 1.00 1.09 H new ATOM 0 HB3 GLU A 69 11.416 -2.317 -5.867 1.00 1.09 H new ATOM 0 HG2 GLU A 69 10.865 -3.480 -7.879 1.00 1.37 H new ATOM 0 HG3 GLU A 69 10.671 -4.697 -6.633 1.00 1.37 H new ATOM 1101 N GLN A 70 11.455 -1.973 -3.114 1.00 1.15 N ATOM 1102 CA GLN A 70 12.605 -1.855 -2.139 1.00 1.37 C ATOM 1103 C GLN A 70 12.594 -3.017 -1.149 1.00 1.38 C ATOM 1104 O GLN A 70 13.633 -3.508 -0.762 1.00 1.69 O ATOM 1105 CB GLN A 70 12.518 -0.551 -1.328 1.00 1.38 C ATOM 1106 CG GLN A 70 13.007 0.662 -2.140 1.00 1.97 C ATOM 1107 CD GLN A 70 14.494 0.546 -2.498 1.00 2.44 C ATOM 1108 OE1 GLN A 70 15.295 -0.004 -1.770 1.00 2.89 O ATOM 1109 NE2 GLN A 70 14.916 1.077 -3.607 1.00 3.20 N ATOM 0 H GLN A 70 10.998 -1.095 -3.360 1.00 1.15 H new ATOM 0 HA GLN A 70 13.521 -1.865 -2.729 1.00 1.37 H new ATOM 0 HB2 GLN A 70 11.487 -0.386 -1.014 1.00 1.38 H new ATOM 0 HB3 GLN A 70 13.116 -0.646 -0.422 1.00 1.38 H new ATOM 0 HG2 GLN A 70 12.419 0.749 -3.054 1.00 1.97 H new ATOM 0 HG3 GLN A 70 12.841 1.574 -1.566 1.00 1.97 H new ATOM 0 HE21 GLN A 70 14.258 1.543 -4.232 1.00 3.20 H new ATOM 0 HE22 GLN A 70 15.905 1.027 -3.852 1.00 3.20 H new ATOM 1118 N ASN A 71 11.415 -3.372 -0.718 1.00 1.20 N ATOM 1119 CA ASN A 71 11.271 -4.487 0.242 1.00 1.43 C ATOM 1120 C ASN A 71 10.333 -5.552 -0.328 1.00 1.43 C ATOM 1121 O ASN A 71 9.564 -6.110 0.424 1.00 1.49 O ATOM 1122 CB ASN A 71 10.651 -3.937 1.531 1.00 1.46 C ATOM 1123 CG ASN A 71 10.940 -2.446 1.696 1.00 1.82 C ATOM 1124 OD1 ASN A 71 11.894 -2.058 2.344 1.00 3.02 O ATOM 1125 ND2 ASN A 71 10.151 -1.580 1.112 1.00 1.64 N ATOM 0 H ASN A 71 10.540 -2.928 -0.997 1.00 1.20 H new ATOM 0 HA ASN A 71 12.248 -4.930 0.434 1.00 1.43 H new ATOM 0 HB2 ASN A 71 9.574 -4.101 1.517 1.00 1.46 H new ATOM 0 HB3 ASN A 71 11.046 -4.483 2.388 1.00 1.46 H new ATOM 0 HD21 ASN A 71 10.336 -0.581 1.200 1.00 1.64 H new ATOM 0 HD22 ASN A 71 9.351 -1.904 0.569 1.00 1.64 H new ATOM 1132 N GLU A 72 10.444 -5.844 -1.603 1.00 1.57 N ATOM 1133 CA GLU A 72 9.543 -6.865 -2.250 1.00 1.61 C ATOM 1134 C GLU A 72 8.270 -7.132 -1.412 1.00 1.50 C ATOM 1135 O GLU A 72 8.044 -8.219 -0.902 1.00 1.80 O ATOM 1136 CB GLU A 72 10.335 -8.173 -2.469 1.00 2.01 C ATOM 1137 CG GLU A 72 11.406 -8.363 -1.374 1.00 3.01 C ATOM 1138 CD GLU A 72 12.548 -7.350 -1.554 1.00 4.60 C ATOM 1139 OE1 GLU A 72 12.838 -7.038 -2.701 1.00 5.43 O ATOM 1140 OE2 GLU A 72 13.065 -6.945 -0.530 1.00 5.60 O ATOM 0 H GLU A 72 11.124 -5.418 -2.232 1.00 1.57 H new ATOM 0 HA GLU A 72 9.210 -6.469 -3.209 1.00 1.61 H new ATOM 0 HB2 GLU A 72 9.651 -9.021 -2.464 1.00 2.01 H new ATOM 0 HB3 GLU A 72 10.812 -8.154 -3.449 1.00 2.01 H new ATOM 0 HG2 GLU A 72 10.954 -8.239 -0.390 1.00 3.01 H new ATOM 0 HG3 GLU A 72 11.802 -9.378 -1.417 1.00 3.01 H new ATOM 1147 N LEU A 73 7.476 -6.103 -1.281 1.00 1.26 N ATOM 1148 CA LEU A 73 6.216 -6.230 -0.499 1.00 1.23 C ATOM 1149 C LEU A 73 5.225 -7.091 -1.293 1.00 1.34 C ATOM 1150 O LEU A 73 5.484 -7.453 -2.430 1.00 2.59 O ATOM 1151 CB LEU A 73 5.637 -4.818 -0.260 1.00 1.10 C ATOM 1152 CG LEU A 73 5.436 -4.537 1.245 1.00 1.07 C ATOM 1153 CD1 LEU A 73 6.788 -4.458 1.971 1.00 2.05 C ATOM 1154 CD2 LEU A 73 4.724 -3.184 1.417 1.00 1.56 C ATOM 0 H LEU A 73 7.647 -5.181 -1.682 1.00 1.26 H new ATOM 0 HA LEU A 73 6.405 -6.705 0.464 1.00 1.23 H new ATOM 0 HB2 LEU A 73 6.308 -4.072 -0.684 1.00 1.10 H new ATOM 0 HB3 LEU A 73 4.684 -4.721 -0.780 1.00 1.10 H new ATOM 0 HG LEU A 73 4.843 -5.348 1.668 1.00 1.07 H new ATOM 0 HD11 LEU A 73 6.621 -4.259 3.030 1.00 2.05 H new ATOM 0 HD12 LEU A 73 7.317 -5.404 1.858 1.00 2.05 H new ATOM 0 HD13 LEU A 73 7.386 -3.654 1.541 1.00 2.05 H new ATOM 0 HD21 LEU A 73 4.580 -2.981 2.478 1.00 1.56 H new ATOM 0 HD22 LEU A 73 5.332 -2.394 0.976 1.00 1.56 H new ATOM 0 HD23 LEU A 73 3.755 -3.217 0.919 1.00 1.56 H new ATOM 1166 N GLN A 74 4.100 -7.359 -0.693 1.00 0.81 N ATOM 1167 CA GLN A 74 3.075 -8.209 -1.367 1.00 0.97 C ATOM 1168 C GLN A 74 2.103 -7.347 -2.168 1.00 0.93 C ATOM 1169 O GLN A 74 1.028 -7.023 -1.715 1.00 1.21 O ATOM 1170 CB GLN A 74 2.309 -8.990 -0.293 1.00 1.28 C ATOM 1171 CG GLN A 74 3.262 -9.951 0.427 1.00 1.71 C ATOM 1172 CD GLN A 74 3.553 -11.162 -0.461 1.00 2.28 C ATOM 1173 OE1 GLN A 74 3.102 -12.328 -0.120 1.00 3.19 O flip ATOM 1174 NE2 GLN A 74 4.191 -11.059 -1.484 1.00 3.45 N flip ATOM 0 H GLN A 74 3.844 -7.027 0.237 1.00 0.81 H new ATOM 0 HA GLN A 74 3.569 -8.895 -2.056 1.00 0.97 H new ATOM 0 HB2 GLN A 74 1.863 -8.300 0.424 1.00 1.28 H new ATOM 0 HB3 GLN A 74 1.491 -9.548 -0.749 1.00 1.28 H new ATOM 0 HG2 GLN A 74 4.192 -9.438 0.673 1.00 1.71 H new ATOM 0 HG3 GLN A 74 2.820 -10.278 1.368 1.00 1.71 H new ATOM 0 HE21 GLN A 74 4.554 -10.150 -1.769 1.00 3.45 H new ATOM 0 HE22 GLN A 74 4.365 -11.882 -2.061 1.00 3.45 H new ATOM 1183 N TYR A 75 2.515 -6.973 -3.342 1.00 0.91 N ATOM 1184 CA TYR A 75 1.633 -6.132 -4.215 1.00 0.92 C ATOM 1185 C TYR A 75 1.369 -6.847 -5.542 1.00 1.00 C ATOM 1186 O TYR A 75 1.964 -7.870 -5.839 1.00 1.13 O ATOM 1187 CB TYR A 75 2.324 -4.792 -4.512 1.00 0.98 C ATOM 1188 CG TYR A 75 3.561 -5.064 -5.374 1.00 1.02 C ATOM 1189 CD1 TYR A 75 4.646 -5.726 -4.837 1.00 1.11 C ATOM 1190 CD2 TYR A 75 3.552 -4.789 -6.729 1.00 1.21 C ATOM 1191 CE1 TYR A 75 5.686 -6.140 -5.637 1.00 1.39 C ATOM 1192 CE2 TYR A 75 4.602 -5.198 -7.524 1.00 1.41 C ATOM 1193 CZ TYR A 75 5.664 -5.887 -6.984 1.00 1.51 C ATOM 1194 OH TYR A 75 6.657 -6.371 -7.799 1.00 1.91 O ATOM 0 H TYR A 75 3.423 -7.209 -3.742 1.00 0.91 H new ATOM 0 HA TYR A 75 0.691 -5.962 -3.694 1.00 0.92 H new ATOM 0 HB2 TYR A 75 1.641 -4.120 -5.031 1.00 0.98 H new ATOM 0 HB3 TYR A 75 2.611 -4.299 -3.583 1.00 0.98 H new ATOM 0 HD1 TYR A 75 4.679 -5.922 -3.775 1.00 1.11 H new ATOM 0 HD2 TYR A 75 2.722 -4.253 -7.165 1.00 1.21 H new ATOM 0 HE1 TYR A 75 6.523 -6.666 -5.202 1.00 1.39 H new ATOM 0 HE2 TYR A 75 4.591 -4.975 -8.581 1.00 1.41 H new ATOM 0 HH TYR A 75 7.222 -5.630 -8.102 1.00 1.91 H new ATOM 1204 N GLU A 76 0.480 -6.279 -6.307 1.00 1.10 N ATOM 1205 CA GLU A 76 0.145 -6.854 -7.642 1.00 1.25 C ATOM 1206 C GLU A 76 0.263 -5.716 -8.670 1.00 1.59 C ATOM 1207 O GLU A 76 0.098 -4.558 -8.311 1.00 1.90 O ATOM 1208 CB GLU A 76 -1.299 -7.395 -7.643 1.00 1.38 C ATOM 1209 CG GLU A 76 -1.677 -8.015 -6.278 1.00 2.13 C ATOM 1210 CD GLU A 76 -3.092 -8.624 -6.344 1.00 2.39 C ATOM 1211 OE1 GLU A 76 -3.826 -8.209 -7.237 1.00 2.88 O ATOM 1212 OE2 GLU A 76 -3.366 -9.450 -5.479 1.00 3.27 O ATOM 0 H GLU A 76 -0.035 -5.433 -6.063 1.00 1.10 H new ATOM 0 HA GLU A 76 0.819 -7.676 -7.882 1.00 1.25 H new ATOM 0 HB2 GLU A 76 -1.991 -6.586 -7.880 1.00 1.38 H new ATOM 0 HB3 GLU A 76 -1.406 -8.146 -8.426 1.00 1.38 H new ATOM 0 HG2 GLU A 76 -0.954 -8.785 -6.007 1.00 2.13 H new ATOM 0 HG3 GLU A 76 -1.637 -7.252 -5.500 1.00 2.13 H new ATOM 1219 N VAL A 77 0.517 -6.041 -9.913 1.00 1.74 N ATOM 1220 CA VAL A 77 0.638 -4.960 -10.946 1.00 2.29 C ATOM 1221 C VAL A 77 -0.448 -5.162 -12.016 1.00 2.46 C ATOM 1222 O VAL A 77 -0.193 -5.085 -13.195 1.00 3.20 O ATOM 1223 CB VAL A 77 2.041 -5.004 -11.591 1.00 2.69 C ATOM 1224 CG1 VAL A 77 2.324 -3.655 -12.274 1.00 3.20 C ATOM 1225 CG2 VAL A 77 3.117 -5.254 -10.521 1.00 3.14 C ATOM 0 H VAL A 77 0.645 -6.993 -10.256 1.00 1.74 H new ATOM 0 HA VAL A 77 0.504 -3.986 -10.476 1.00 2.29 H new ATOM 0 HB VAL A 77 2.068 -5.814 -12.320 1.00 2.69 H new ATOM 0 HG11 VAL A 77 3.313 -3.679 -12.731 1.00 3.20 H new ATOM 0 HG12 VAL A 77 1.573 -3.472 -13.043 1.00 3.20 H new ATOM 0 HG13 VAL A 77 2.287 -2.857 -11.533 1.00 3.20 H new ATOM 0 HG21 VAL A 77 4.099 -5.282 -10.992 1.00 3.14 H new ATOM 0 HG22 VAL A 77 3.091 -4.451 -9.784 1.00 3.14 H new ATOM 0 HG23 VAL A 77 2.924 -6.206 -10.027 1.00 3.14 H new