USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 645 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 23 HIS : no HD1:sc=-0.00279 X(o=0.96,f=0.85) USER MOD Set 1.2: A 64 GLN : amide:sc= 0.116 K(o=0.96,f=-0.43!) USER MOD Set 1.3: A 67 THR OG1 : rot -54:sc= 0.846 USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= 0.835 USER MOD Set 2.2: A 70 LYS NZ :NH3+ -138:sc= 2.2 (180deg=0.773) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.133 K(o=-0.13,f=-1.4) USER MOD Single : A 22 ASN : amide:sc= -0.285 K(o=-0.29,f=-2.1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0589 K(o=-0.059,f=-0.82) USER MOD Single : A 27 SER OG : rot 25:sc= 1.2 USER MOD Single : A 28 SER OG : rot -22:sc= 0.0573 USER MOD Single : A 31 GLN : amide:sc= -1 K(o=-1,f=-2.1!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.21) USER MOD Single : A 58 MET CE :methyl 178:sc= -0.0981 (180deg=-0.113) USER MOD Single : A 65 HIS : no HD1:sc= 0.129 K(o=0.13,f=-6.4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -1.59 X(o=-1.6,f=-1.1) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N ARG A 3 -12.812 6.851 0.388 1.00 2.02 N ATOM 23 CA ARG A 3 -11.538 6.181 0.145 1.00 14.15 C ATOM 24 C ARG A 3 -10.678 6.198 1.393 1.00 23.14 C ATOM 25 O ARG A 3 -10.837 7.066 2.257 1.00 3.41 O ATOM 26 CB ARG A 3 -10.773 6.770 -1.048 1.00 1.45 C ATOM 27 CG ARG A 3 -10.364 8.246 -0.928 1.00 13.14 C ATOM 28 CD ARG A 3 -9.099 8.466 -1.761 1.00 2.41 C ATOM 29 NE ARG A 3 -8.771 9.884 -1.934 1.00 1.33 N ATOM 30 CZ ARG A 3 -7.896 10.637 -1.263 1.00 44.42 C ATOM 31 NH1 ARG A 3 -7.345 10.207 -0.136 1.00 54.42 N ATOM 32 NH2 ARG A 3 -7.578 11.829 -1.744 1.00 21.35 N ATOM 0 HA ARG A 3 -11.772 5.148 -0.112 1.00 14.15 H new ATOM 0 HB2 ARG A 3 -9.872 6.176 -1.205 1.00 1.45 H new ATOM 0 HB3 ARG A 3 -11.389 6.656 -1.940 1.00 1.45 H new ATOM 0 HG2 ARG A 3 -11.168 8.892 -1.281 1.00 13.14 H new ATOM 0 HG3 ARG A 3 -10.181 8.505 0.115 1.00 13.14 H new ATOM 0 HD2 ARG A 3 -8.261 7.960 -1.281 1.00 2.41 H new ATOM 0 HD3 ARG A 3 -9.230 8.006 -2.741 1.00 2.41 H new ATOM 0 HE ARG A 3 -9.285 10.364 -2.673 1.00 1.33 H new ATOM 0 HH11 ARG A 3 -7.588 9.287 0.232 1.00 54.42 H new ATOM 0 HH12 ARG A 3 -6.678 10.796 0.363 1.00 54.42 H new ATOM 0 HH21 ARG A 3 -8.000 12.157 -2.613 1.00 21.35 H new ATOM 0 HH22 ARG A 3 -6.912 12.419 -1.246 1.00 21.35 H new ATOM 46 N PHE A 4 -9.749 5.256 1.450 1.00 24.12 N ATOM 47 CA PHE A 4 -8.795 5.062 2.530 1.00 2.03 C ATOM 48 C PHE A 4 -7.408 5.042 1.896 1.00 63.12 C ATOM 49 O PHE A 4 -7.304 4.915 0.669 1.00 35.13 O ATOM 50 CB PHE A 4 -9.129 3.758 3.269 1.00 51.42 C ATOM 51 CG PHE A 4 -10.492 3.748 3.940 1.00 20.10 C ATOM 52 CD1 PHE A 4 -11.652 3.468 3.189 1.00 65.23 C ATOM 53 CD2 PHE A 4 -10.605 4.021 5.316 1.00 22.55 C ATOM 54 CE1 PHE A 4 -12.917 3.516 3.798 1.00 73.13 C ATOM 55 CE2 PHE A 4 -11.870 4.053 5.928 1.00 33.11 C ATOM 56 CZ PHE A 4 -13.027 3.813 5.166 1.00 32.54 C ATOM 0 H PHE A 4 -9.635 4.570 0.704 1.00 24.12 H new ATOM 0 HA PHE A 4 -8.834 5.860 3.271 1.00 2.03 H new ATOM 0 HB2 PHE A 4 -9.080 2.931 2.561 1.00 51.42 H new ATOM 0 HB3 PHE A 4 -8.364 3.577 4.024 1.00 51.42 H new ATOM 0 HD1 PHE A 4 -11.568 3.216 2.142 1.00 65.23 H new ATOM 0 HD2 PHE A 4 -9.718 4.206 5.903 1.00 22.55 H new ATOM 0 HE1 PHE A 4 -13.805 3.324 3.214 1.00 73.13 H new ATOM 0 HE2 PHE A 4 -11.953 4.262 6.984 1.00 33.11 H new ATOM 0 HZ PHE A 4 -14.000 3.857 5.633 1.00 32.54 H new ATOM 66 N ILE A 5 -6.361 5.225 2.700 1.00 2.42 N ATOM 67 CA ILE A 5 -4.978 5.229 2.250 1.00 3.31 C ATOM 68 C ILE A 5 -4.177 4.273 3.131 1.00 23.32 C ATOM 69 O ILE A 5 -4.495 4.065 4.305 1.00 74.14 O ATOM 70 CB ILE A 5 -4.376 6.658 2.212 1.00 40.21 C ATOM 71 CG1 ILE A 5 -5.290 7.688 1.517 1.00 12.21 C ATOM 72 CG2 ILE A 5 -3.007 6.690 1.513 1.00 64.24 C ATOM 73 CD1 ILE A 5 -5.865 8.615 2.575 1.00 32.23 C ATOM 0 H ILE A 5 -6.458 5.378 3.704 1.00 2.42 H new ATOM 0 HA ILE A 5 -4.932 4.879 1.219 1.00 3.31 H new ATOM 0 HB ILE A 5 -4.269 6.935 3.261 1.00 40.21 H new ATOM 0 HG12 ILE A 5 -4.725 8.259 0.780 1.00 12.21 H new ATOM 0 HG13 ILE A 5 -6.093 7.181 0.981 1.00 12.21 H new ATOM 0 HG21 ILE A 5 -2.624 7.710 1.510 1.00 64.24 H new ATOM 0 HG22 ILE A 5 -2.311 6.043 2.046 1.00 64.24 H new ATOM 0 HG23 ILE A 5 -3.114 6.340 0.486 1.00 64.24 H new ATOM 0 HD11 ILE A 5 -6.514 9.350 2.100 1.00 32.23 H new ATOM 0 HD12 ILE A 5 -6.441 8.033 3.294 1.00 32.23 H new ATOM 0 HD13 ILE A 5 -5.053 9.127 3.090 1.00 32.23 H new ATOM 85 N VAL A 6 -3.142 3.676 2.552 1.00 41.12 N ATOM 86 CA VAL A 6 -2.239 2.750 3.204 1.00 53.44 C ATOM 87 C VAL A 6 -0.883 3.446 3.362 1.00 0.52 C ATOM 88 O VAL A 6 -0.330 3.970 2.386 1.00 44.11 O ATOM 89 CB VAL A 6 -2.164 1.461 2.369 1.00 4.03 C ATOM 90 CG1 VAL A 6 -1.272 0.417 3.026 1.00 40.03 C ATOM 91 CG2 VAL A 6 -3.538 0.812 2.169 1.00 73.21 C ATOM 0 H VAL A 6 -2.903 3.834 1.573 1.00 41.12 H new ATOM 0 HA VAL A 6 -2.585 2.465 4.197 1.00 53.44 H new ATOM 0 HB VAL A 6 -1.755 1.770 1.407 1.00 4.03 H new ATOM 0 HG11 VAL A 6 -1.244 -0.479 2.407 1.00 40.03 H new ATOM 0 HG12 VAL A 6 -0.263 0.816 3.133 1.00 40.03 H new ATOM 0 HG13 VAL A 6 -1.669 0.166 4.010 1.00 40.03 H new ATOM 0 HG21 VAL A 6 -3.429 -0.094 1.573 1.00 73.21 H new ATOM 0 HG22 VAL A 6 -3.966 0.559 3.139 1.00 73.21 H new ATOM 0 HG23 VAL A 6 -4.198 1.509 1.652 1.00 73.21 H new ATOM 101 N PHE A 7 -0.370 3.513 4.594 1.00 42.04 N ATOM 102 CA PHE A 7 0.920 4.117 4.892 1.00 71.14 C ATOM 103 C PHE A 7 1.931 2.986 4.804 1.00 41.03 C ATOM 104 O PHE A 7 2.037 2.180 5.731 1.00 33.40 O ATOM 105 CB PHE A 7 0.957 4.738 6.295 1.00 3.21 C ATOM 106 CG PHE A 7 2.299 5.379 6.602 1.00 2.34 C ATOM 107 CD1 PHE A 7 2.589 6.669 6.122 1.00 13.24 C ATOM 108 CD2 PHE A 7 3.288 4.674 7.314 1.00 64.11 C ATOM 109 CE1 PHE A 7 3.845 7.248 6.356 1.00 23.10 C ATOM 110 CE2 PHE A 7 4.545 5.248 7.551 1.00 32.31 C ATOM 111 CZ PHE A 7 4.818 6.535 7.073 1.00 41.23 C ATOM 0 H PHE A 7 -0.848 3.144 5.416 1.00 42.04 H new ATOM 0 HA PHE A 7 1.131 4.926 4.193 1.00 71.14 H new ATOM 0 HB2 PHE A 7 0.170 5.487 6.380 1.00 3.21 H new ATOM 0 HB3 PHE A 7 0.745 3.968 7.037 1.00 3.21 H new ATOM 0 HD1 PHE A 7 1.840 7.217 5.570 1.00 13.24 H new ATOM 0 HD2 PHE A 7 3.076 3.681 7.681 1.00 64.11 H new ATOM 0 HE1 PHE A 7 4.062 8.239 5.986 1.00 23.10 H new ATOM 0 HE2 PHE A 7 5.298 4.701 8.099 1.00 32.31 H new ATOM 0 HZ PHE A 7 5.784 6.982 7.257 1.00 41.23 H new ATOM 121 N VAL A 8 2.651 2.886 3.690 1.00 12.41 N ATOM 122 CA VAL A 8 3.659 1.848 3.523 1.00 2.31 C ATOM 123 C VAL A 8 5.008 2.543 3.690 1.00 1.54 C ATOM 124 O VAL A 8 5.198 3.567 3.029 1.00 32.53 O ATOM 125 CB VAL A 8 3.522 1.182 2.140 1.00 20.13 C ATOM 126 CG1 VAL A 8 4.504 0.014 1.985 1.00 31.32 C ATOM 127 CG2 VAL A 8 2.127 0.654 1.825 1.00 32.44 C ATOM 0 H VAL A 8 2.554 3.512 2.891 1.00 12.41 H new ATOM 0 HA VAL A 8 3.547 1.048 4.255 1.00 2.31 H new ATOM 0 HB VAL A 8 3.743 1.986 1.438 1.00 20.13 H new ATOM 0 HG11 VAL A 8 4.383 -0.435 0.999 1.00 31.32 H new ATOM 0 HG12 VAL A 8 5.525 0.380 2.094 1.00 31.32 H new ATOM 0 HG13 VAL A 8 4.303 -0.734 2.752 1.00 31.32 H new ATOM 0 HG21 VAL A 8 2.124 0.203 0.833 1.00 32.44 H new ATOM 0 HG22 VAL A 8 1.846 -0.095 2.565 1.00 32.44 H new ATOM 0 HG23 VAL A 8 1.412 1.476 1.851 1.00 32.44 H new ATOM 137 N GLY A 9 5.962 2.035 4.488 1.00 54.54 N ATOM 138 CA GLY A 9 7.267 2.689 4.633 1.00 3.35 C ATOM 139 C GLY A 9 8.408 1.723 4.947 1.00 21.15 C ATOM 140 O GLY A 9 8.200 0.517 5.057 1.00 12.03 O ATOM 0 H GLY A 9 5.853 1.182 5.036 1.00 54.54 H new ATOM 0 HA2 GLY A 9 7.499 3.224 3.712 1.00 3.35 H new ATOM 0 HA3 GLY A 9 7.204 3.433 5.427 1.00 3.35 H new ATOM 144 N SER A 10 9.623 2.266 5.075 1.00 3.03 N ATOM 145 CA SER A 10 10.898 1.590 5.356 1.00 13.03 C ATOM 146 C SER A 10 11.494 0.939 4.095 1.00 20.12 C ATOM 147 O SER A 10 12.422 0.133 4.189 1.00 31.15 O ATOM 148 CB SER A 10 10.741 0.561 6.486 1.00 52.33 C ATOM 149 OG SER A 10 11.908 0.480 7.285 1.00 23.10 O ATOM 0 H SER A 10 9.753 3.273 4.977 1.00 3.03 H new ATOM 0 HA SER A 10 11.601 2.354 5.688 1.00 13.03 H new ATOM 0 HB2 SER A 10 9.890 0.833 7.111 1.00 52.33 H new ATOM 0 HB3 SER A 10 10.523 -0.418 6.059 1.00 52.33 H new ATOM 0 HG SER A 10 11.773 -0.182 7.995 1.00 23.10 H new ATOM 155 N LEU A 11 10.980 1.294 2.918 1.00 14.24 N ATOM 156 CA LEU A 11 11.371 0.761 1.619 1.00 74.35 C ATOM 157 C LEU A 11 12.869 0.882 1.289 1.00 54.51 C ATOM 158 O LEU A 11 13.561 1.749 1.841 1.00 23.33 O ATOM 159 CB LEU A 11 10.505 1.433 0.532 1.00 23.43 C ATOM 160 CG LEU A 11 9.127 0.770 0.339 1.00 52.44 C ATOM 161 CD1 LEU A 11 8.265 0.638 1.608 1.00 1.50 C ATOM 162 CD2 LEU A 11 8.325 1.585 -0.665 1.00 33.40 C ATOM 0 H LEU A 11 10.244 1.996 2.844 1.00 14.24 H new ATOM 0 HA LEU A 11 11.195 -0.314 1.652 1.00 74.35 H new ATOM 0 HB2 LEU A 11 10.360 2.482 0.792 1.00 23.43 H new ATOM 0 HB3 LEU A 11 11.045 1.411 -0.415 1.00 23.43 H new ATOM 0 HG LEU A 11 9.349 -0.244 0.005 1.00 52.44 H new ATOM 0 HD11 LEU A 11 7.319 0.159 1.357 1.00 1.50 H new ATOM 0 HD12 LEU A 11 8.793 0.034 2.346 1.00 1.50 H new ATOM 0 HD13 LEU A 11 8.072 1.628 2.021 1.00 1.50 H new ATOM 0 HD21 LEU A 11 7.348 1.125 -0.809 1.00 33.40 H new ATOM 0 HD22 LEU A 11 8.196 2.600 -0.289 1.00 33.40 H new ATOM 0 HD23 LEU A 11 8.856 1.615 -1.616 1.00 33.40 H new ATOM 174 N PRO A 12 13.363 0.032 0.366 1.00 14.21 N ATOM 175 CA PRO A 12 14.748 0.024 -0.084 1.00 65.43 C ATOM 176 C PRO A 12 15.036 1.246 -0.954 1.00 53.44 C ATOM 177 O PRO A 12 14.159 1.743 -1.662 1.00 11.31 O ATOM 178 CB PRO A 12 14.918 -1.258 -0.915 1.00 51.34 C ATOM 179 CG PRO A 12 13.505 -1.588 -1.377 1.00 71.21 C ATOM 180 CD PRO A 12 12.604 -1.015 -0.301 1.00 72.25 C ATOM 0 HA PRO A 12 15.436 0.054 0.761 1.00 65.43 H new ATOM 0 HB2 PRO A 12 15.588 -1.100 -1.760 1.00 51.34 H new ATOM 0 HB3 PRO A 12 15.342 -2.066 -0.319 1.00 51.34 H new ATOM 0 HG2 PRO A 12 13.292 -1.144 -2.349 1.00 71.21 H new ATOM 0 HG3 PRO A 12 13.363 -2.664 -1.480 1.00 71.21 H new ATOM 0 HD2 PRO A 12 11.689 -0.612 -0.736 1.00 72.25 H new ATOM 0 HD3 PRO A 12 12.307 -1.788 0.407 1.00 72.25 H new ATOM 188 N ARG A 13 16.298 1.678 -0.977 1.00 22.43 N ATOM 189 CA ARG A 13 16.738 2.828 -1.770 1.00 61.22 C ATOM 190 C ARG A 13 16.516 2.601 -3.266 1.00 62.44 C ATOM 191 O ARG A 13 16.204 3.540 -3.992 1.00 0.13 O ATOM 192 CB ARG A 13 18.239 3.074 -1.512 1.00 74.14 C ATOM 193 CG ARG A 13 18.619 4.543 -1.306 1.00 41.41 C ATOM 194 CD ARG A 13 18.176 5.072 0.064 1.00 12.10 C ATOM 195 NE ARG A 13 18.741 6.406 0.304 1.00 73.31 N ATOM 196 CZ ARG A 13 18.820 7.056 1.470 1.00 60.25 C ATOM 197 NH1 ARG A 13 18.391 6.521 2.611 1.00 11.20 N ATOM 198 NH2 ARG A 13 19.351 8.268 1.464 1.00 73.41 N ATOM 0 H ARG A 13 17.048 1.238 -0.443 1.00 22.43 H new ATOM 0 HA ARG A 13 16.148 3.694 -1.469 1.00 61.22 H new ATOM 0 HB2 ARG A 13 18.540 2.508 -0.631 1.00 74.14 H new ATOM 0 HB3 ARG A 13 18.808 2.680 -2.354 1.00 74.14 H new ATOM 0 HG2 ARG A 13 19.699 4.654 -1.404 1.00 41.41 H new ATOM 0 HG3 ARG A 13 18.164 5.147 -2.091 1.00 41.41 H new ATOM 0 HD2 ARG A 13 17.088 5.117 0.109 1.00 12.10 H new ATOM 0 HD3 ARG A 13 18.499 4.387 0.848 1.00 12.10 H new ATOM 0 HE ARG A 13 19.116 6.892 -0.511 1.00 73.31 H new ATOM 0 HH11 ARG A 13 17.986 5.585 2.615 1.00 11.20 H new ATOM 0 HH12 ARG A 13 18.468 7.047 3.482 1.00 11.20 H new ATOM 0 HH21 ARG A 13 19.683 8.675 0.590 1.00 73.41 H new ATOM 0 HH22 ARG A 13 19.428 8.795 2.334 1.00 73.41 H new ATOM 212 N ASP A 14 16.666 1.356 -3.717 1.00 35.10 N ATOM 213 CA ASP A 14 16.524 0.946 -5.113 1.00 61.24 C ATOM 214 C ASP A 14 15.106 0.518 -5.515 1.00 21.33 C ATOM 215 O ASP A 14 14.932 -0.085 -6.569 1.00 31.45 O ATOM 216 CB ASP A 14 17.531 -0.159 -5.403 1.00 1.32 C ATOM 217 CG ASP A 14 17.875 -0.240 -6.889 1.00 3.00 C ATOM 218 OD1 ASP A 14 18.521 0.726 -7.373 1.00 33.14 O ATOM 219 OD2 ASP A 14 17.515 -1.243 -7.537 1.00 32.10 O ATOM 0 H ASP A 14 16.898 0.579 -3.099 1.00 35.10 H new ATOM 0 HA ASP A 14 16.725 1.826 -5.724 1.00 61.24 H new ATOM 0 HB2 ASP A 14 18.440 0.019 -4.829 1.00 1.32 H new ATOM 0 HB3 ASP A 14 17.126 -1.115 -5.071 1.00 1.32 H new ATOM 224 N ILE A 15 14.086 0.751 -4.684 1.00 13.23 N ATOM 225 CA ILE A 15 12.700 0.359 -4.967 1.00 3.53 C ATOM 226 C ILE A 15 12.217 0.689 -6.399 1.00 41.44 C ATOM 227 O ILE A 15 12.507 1.763 -6.929 1.00 2.00 O ATOM 228 CB ILE A 15 11.780 0.929 -3.868 1.00 54.12 C ATOM 229 CG1 ILE A 15 10.349 0.387 -4.001 1.00 74.43 C ATOM 230 CG2 ILE A 15 11.770 2.462 -3.860 1.00 71.11 C ATOM 231 CD1 ILE A 15 10.223 -1.106 -3.730 1.00 72.23 C ATOM 0 H ILE A 15 14.199 1.222 -3.786 1.00 13.23 H new ATOM 0 HA ILE A 15 12.655 -0.730 -4.941 1.00 3.53 H new ATOM 0 HB ILE A 15 12.190 0.596 -2.915 1.00 54.12 H new ATOM 0 HG12 ILE A 15 9.702 0.927 -3.310 1.00 74.43 H new ATOM 0 HG13 ILE A 15 9.985 0.595 -5.007 1.00 74.43 H new ATOM 0 HG21 ILE A 15 11.109 2.817 -3.070 1.00 71.11 H new ATOM 0 HG22 ILE A 15 12.780 2.832 -3.682 1.00 71.11 H new ATOM 0 HG23 ILE A 15 11.414 2.829 -4.823 1.00 71.11 H new ATOM 0 HD11 ILE A 15 9.183 -1.410 -3.844 1.00 72.23 H new ATOM 0 HD12 ILE A 15 10.842 -1.658 -4.437 1.00 72.23 H new ATOM 0 HD13 ILE A 15 10.554 -1.321 -2.714 1.00 72.23 H new ATOM 243 N THR A 16 11.446 -0.216 -7.011 1.00 20.30 N ATOM 244 CA THR A 16 10.886 -0.074 -8.351 1.00 14.14 C ATOM 245 C THR A 16 9.366 -0.217 -8.266 1.00 2.40 C ATOM 246 O THR A 16 8.865 -0.990 -7.450 1.00 3.23 O ATOM 247 CB THR A 16 11.542 -1.086 -9.317 1.00 32.32 C ATOM 248 OG1 THR A 16 11.894 -2.303 -8.668 1.00 42.15 O ATOM 249 CG2 THR A 16 12.823 -0.516 -9.926 1.00 44.14 C ATOM 0 H THR A 16 11.188 -1.098 -6.567 1.00 20.30 H new ATOM 0 HA THR A 16 11.103 0.914 -8.758 1.00 14.14 H new ATOM 0 HB THR A 16 10.796 -1.281 -10.088 1.00 32.32 H new ATOM 0 HG1 THR A 16 12.303 -2.913 -9.317 1.00 42.15 H new ATOM 0 HG21 THR A 16 13.263 -1.250 -10.601 1.00 44.14 H new ATOM 0 HG22 THR A 16 12.589 0.393 -10.480 1.00 44.14 H new ATOM 0 HG23 THR A 16 13.532 -0.284 -9.131 1.00 44.14 H new ATOM 257 N ALA A 17 8.630 0.488 -9.134 1.00 0.51 N ATOM 258 CA ALA A 17 7.168 0.448 -9.172 1.00 63.23 C ATOM 259 C ALA A 17 6.664 -0.964 -9.460 1.00 1.43 C ATOM 260 O ALA A 17 5.590 -1.337 -8.995 1.00 60.15 O ATOM 261 CB ALA A 17 6.667 1.420 -10.245 1.00 74.31 C ATOM 0 H ALA A 17 9.039 1.107 -9.834 1.00 0.51 H new ATOM 0 HA ALA A 17 6.782 0.745 -8.197 1.00 63.23 H new ATOM 0 HB1 ALA A 17 5.578 1.395 -10.279 1.00 74.31 H new ATOM 0 HB2 ALA A 17 7.000 2.430 -10.005 1.00 74.31 H new ATOM 0 HB3 ALA A 17 7.067 1.128 -11.216 1.00 74.31 H new ATOM 267 N VAL A 18 7.450 -1.756 -10.188 1.00 21.42 N ATOM 268 CA VAL A 18 7.129 -3.130 -10.534 1.00 61.14 C ATOM 269 C VAL A 18 6.941 -3.942 -9.248 1.00 52.35 C ATOM 270 O VAL A 18 6.007 -4.735 -9.139 1.00 23.45 O ATOM 271 CB VAL A 18 8.284 -3.724 -11.376 1.00 40.14 C ATOM 272 CG1 VAL A 18 7.878 -5.076 -11.973 1.00 53.13 C ATOM 273 CG2 VAL A 18 8.762 -2.784 -12.499 1.00 25.41 C ATOM 0 H VAL A 18 8.348 -1.448 -10.560 1.00 21.42 H new ATOM 0 HA VAL A 18 6.208 -3.165 -11.116 1.00 61.14 H new ATOM 0 HB VAL A 18 9.121 -3.858 -10.690 1.00 40.14 H new ATOM 0 HG11 VAL A 18 8.704 -5.477 -12.561 1.00 53.13 H new ATOM 0 HG12 VAL A 18 7.635 -5.770 -11.169 1.00 53.13 H new ATOM 0 HG13 VAL A 18 7.006 -4.944 -12.614 1.00 53.13 H new ATOM 0 HG21 VAL A 18 9.572 -3.260 -13.051 1.00 25.41 H new ATOM 0 HG22 VAL A 18 7.934 -2.576 -13.177 1.00 25.41 H new ATOM 0 HG23 VAL A 18 9.118 -1.850 -12.065 1.00 25.41 H new ATOM 283 N GLU A 19 7.838 -3.726 -8.283 1.00 42.01 N ATOM 284 CA GLU A 19 7.854 -4.403 -6.988 1.00 53.02 C ATOM 285 C GLU A 19 6.730 -3.906 -6.074 1.00 71.22 C ATOM 286 O GLU A 19 6.486 -4.471 -5.010 1.00 51.41 O ATOM 287 CB GLU A 19 9.256 -4.249 -6.379 1.00 61.13 C ATOM 288 CG GLU A 19 10.333 -4.987 -7.190 1.00 13.43 C ATOM 289 CD GLU A 19 10.394 -6.498 -6.928 1.00 20.14 C ATOM 290 OE1 GLU A 19 9.400 -7.200 -7.190 1.00 34.41 O ATOM 291 OE2 GLU A 19 11.484 -7.018 -6.583 1.00 51.03 O ATOM 0 H GLU A 19 8.597 -3.053 -8.387 1.00 42.01 H new ATOM 0 HA GLU A 19 7.653 -5.467 -7.116 1.00 53.02 H new ATOM 0 HB2 GLU A 19 9.510 -3.191 -6.322 1.00 61.13 H new ATOM 0 HB3 GLU A 19 9.249 -4.630 -5.358 1.00 61.13 H new ATOM 0 HG2 GLU A 19 10.150 -4.821 -8.252 1.00 13.43 H new ATOM 0 HG3 GLU A 19 11.306 -4.551 -6.962 1.00 13.43 H new ATOM 298 N LEU A 20 6.166 -2.733 -6.364 1.00 41.43 N ATOM 299 CA LEU A 20 5.053 -2.187 -5.607 1.00 11.11 C ATOM 300 C LEU A 20 3.740 -2.732 -6.165 1.00 4.01 C ATOM 301 O LEU A 20 2.849 -3.127 -5.412 1.00 15.53 O ATOM 302 CB LEU A 20 5.099 -0.657 -5.617 1.00 24.34 C ATOM 303 CG LEU A 20 6.249 -0.082 -4.770 1.00 24.21 C ATOM 304 CD1 LEU A 20 6.090 1.434 -4.712 1.00 13.31 C ATOM 305 CD2 LEU A 20 6.304 -0.603 -3.329 1.00 0.34 C ATOM 0 H LEU A 20 6.473 -2.138 -7.133 1.00 41.43 H new ATOM 0 HA LEU A 20 5.127 -2.498 -4.565 1.00 11.11 H new ATOM 0 HB2 LEU A 20 5.204 -0.309 -6.645 1.00 24.34 H new ATOM 0 HB3 LEU A 20 4.151 -0.268 -5.244 1.00 24.34 H new ATOM 0 HG LEU A 20 7.172 -0.400 -5.254 1.00 24.21 H new ATOM 0 HD11 LEU A 20 6.896 1.862 -4.116 1.00 13.31 H new ATOM 0 HD12 LEU A 20 6.129 1.843 -5.722 1.00 13.31 H new ATOM 0 HD13 LEU A 20 5.131 1.682 -4.257 1.00 13.31 H new ATOM 0 HD21 LEU A 20 7.144 -0.144 -2.808 1.00 0.34 H new ATOM 0 HD22 LEU A 20 5.377 -0.350 -2.815 1.00 0.34 H new ATOM 0 HD23 LEU A 20 6.430 -1.686 -3.338 1.00 0.34 H new ATOM 317 N GLN A 21 3.616 -2.752 -7.496 1.00 22.13 N ATOM 318 CA GLN A 21 2.436 -3.235 -8.196 1.00 31.11 C ATOM 319 C GLN A 21 2.196 -4.708 -7.905 1.00 2.33 C ATOM 320 O GLN A 21 1.070 -5.083 -7.601 1.00 72.25 O ATOM 321 CB GLN A 21 2.625 -3.038 -9.711 1.00 34.53 C ATOM 322 CG GLN A 21 2.456 -1.580 -10.158 1.00 73.43 C ATOM 323 CD GLN A 21 0.994 -1.151 -10.304 1.00 20.30 C ATOM 324 OE1 GLN A 21 0.073 -1.750 -9.750 1.00 65.23 O ATOM 325 NE2 GLN A 21 0.758 -0.081 -11.043 1.00 31.12 N ATOM 0 H GLN A 21 4.351 -2.425 -8.123 1.00 22.13 H new ATOM 0 HA GLN A 21 1.572 -2.669 -7.849 1.00 31.11 H new ATOM 0 HB2 GLN A 21 3.619 -3.385 -9.995 1.00 34.53 H new ATOM 0 HB3 GLN A 21 1.906 -3.660 -10.244 1.00 34.53 H new ATOM 0 HG2 GLN A 21 2.947 -0.928 -9.436 1.00 73.43 H new ATOM 0 HG3 GLN A 21 2.964 -1.440 -11.112 1.00 73.43 H new ATOM 0 HE21 GLN A 21 1.531 0.406 -11.497 1.00 31.12 H new ATOM 0 HE22 GLN A 21 -0.197 0.258 -11.160 1.00 31.12 H new ATOM 334 N ASN A 22 3.242 -5.536 -7.962 1.00 0.43 N ATOM 335 CA ASN A 22 3.131 -6.976 -7.738 1.00 33.33 C ATOM 336 C ASN A 22 2.719 -7.358 -6.318 1.00 33.44 C ATOM 337 O ASN A 22 2.065 -8.389 -6.120 1.00 63.25 O ATOM 338 CB ASN A 22 4.459 -7.660 -8.133 1.00 4.54 C ATOM 339 CG ASN A 22 5.446 -7.762 -6.977 1.00 2.13 C ATOM 340 OD1 ASN A 22 5.652 -6.803 -6.258 1.00 65.22 O ATOM 341 ND2 ASN A 22 6.048 -8.907 -6.749 1.00 41.14 N ATOM 0 H ASN A 22 4.192 -5.224 -8.165 1.00 0.43 H new ATOM 0 HA ASN A 22 2.320 -7.332 -8.373 1.00 33.33 H new ATOM 0 HB2 ASN A 22 4.247 -8.660 -8.511 1.00 4.54 H new ATOM 0 HB3 ASN A 22 4.920 -7.102 -8.948 1.00 4.54 H new ATOM 0 HD21 ASN A 22 6.694 -8.996 -5.964 1.00 41.14 H new ATOM 0 HD22 ASN A 22 5.870 -9.707 -7.357 1.00 41.14 H new ATOM 348 N HIS A 23 3.033 -6.516 -5.343 1.00 2.42 N ATOM 349 CA HIS A 23 2.732 -6.732 -3.942 1.00 51.31 C ATOM 350 C HIS A 23 1.248 -6.503 -3.698 1.00 75.34 C ATOM 351 O HIS A 23 0.518 -7.428 -3.346 1.00 60.32 O ATOM 352 CB HIS A 23 3.614 -5.801 -3.092 1.00 74.23 C ATOM 353 CG HIS A 23 4.244 -6.508 -1.925 1.00 13.53 C ATOM 354 ND1 HIS A 23 5.474 -7.158 -1.969 1.00 11.12 N ATOM 355 CD2 HIS A 23 3.717 -6.627 -0.676 1.00 23.21 C ATOM 356 CE1 HIS A 23 5.628 -7.724 -0.761 1.00 33.23 C ATOM 357 NE2 HIS A 23 4.596 -7.408 0.044 1.00 73.43 N ATOM 0 H HIS A 23 3.520 -5.636 -5.515 1.00 2.42 H new ATOM 0 HA HIS A 23 2.953 -7.760 -3.654 1.00 51.31 H new ATOM 0 HB2 HIS A 23 4.397 -5.375 -3.720 1.00 74.23 H new ATOM 0 HB3 HIS A 23 3.011 -4.970 -2.726 1.00 74.23 H new ATOM 0 HD2 HIS A 23 2.793 -6.195 -0.319 1.00 23.21 H new ATOM 0 HE1 HIS A 23 6.463 -8.346 -0.475 1.00 33.23 H new ATOM 0 HE2 HIS A 23 4.484 -7.696 1.016 1.00 73.43 H new ATOM 365 N PHE A 24 0.781 -5.283 -3.969 1.00 5.31 N ATOM 366 CA PHE A 24 -0.604 -4.867 -3.769 1.00 11.34 C ATOM 367 C PHE A 24 -1.561 -5.284 -4.881 1.00 31.12 C ATOM 368 O PHE A 24 -2.748 -4.973 -4.785 1.00 61.14 O ATOM 369 CB PHE A 24 -0.641 -3.363 -3.462 1.00 23.34 C ATOM 370 CG PHE A 24 0.137 -3.024 -2.203 1.00 1.24 C ATOM 371 CD1 PHE A 24 -0.365 -3.401 -0.940 1.00 24.12 C ATOM 372 CD2 PHE A 24 1.391 -2.393 -2.293 1.00 44.34 C ATOM 373 CE1 PHE A 24 0.393 -3.161 0.222 1.00 14.22 C ATOM 374 CE2 PHE A 24 2.137 -2.136 -1.131 1.00 61.13 C ATOM 375 CZ PHE A 24 1.647 -2.533 0.125 1.00 34.30 C ATOM 0 H PHE A 24 1.372 -4.540 -4.343 1.00 5.31 H new ATOM 0 HA PHE A 24 -0.989 -5.412 -2.907 1.00 11.34 H new ATOM 0 HB2 PHE A 24 -0.227 -2.810 -4.305 1.00 23.34 H new ATOM 0 HB3 PHE A 24 -1.676 -3.041 -3.347 1.00 23.34 H new ATOM 0 HD1 PHE A 24 -1.333 -3.875 -0.864 1.00 24.12 H new ATOM 0 HD2 PHE A 24 1.781 -2.105 -3.258 1.00 44.34 H new ATOM 0 HE1 PHE A 24 0.011 -3.459 1.187 1.00 14.22 H new ATOM 0 HE2 PHE A 24 3.090 -1.632 -1.203 1.00 61.13 H new ATOM 0 HZ PHE A 24 2.233 -2.356 1.015 1.00 34.30 H new ATOM 385 N LYS A 25 -1.099 -6.036 -5.882 1.00 5.03 N ATOM 386 CA LYS A 25 -1.876 -6.522 -7.007 1.00 32.20 C ATOM 387 C LYS A 25 -3.183 -7.160 -6.524 1.00 63.32 C ATOM 388 O LYS A 25 -4.244 -6.728 -6.968 1.00 2.00 O ATOM 389 CB LYS A 25 -0.978 -7.446 -7.856 1.00 3.34 C ATOM 390 CG LYS A 25 -1.132 -7.163 -9.347 1.00 43.41 C ATOM 391 CD LYS A 25 -0.260 -8.122 -10.171 1.00 25.21 C ATOM 392 CE LYS A 25 -0.413 -7.874 -11.673 1.00 2.40 C ATOM 393 NZ LYS A 25 0.751 -8.362 -12.436 1.00 0.21 N ATOM 0 H LYS A 25 -0.124 -6.333 -5.925 1.00 5.03 H new ATOM 0 HA LYS A 25 -2.194 -5.706 -7.656 1.00 32.20 H new ATOM 0 HB2 LYS A 25 0.064 -7.310 -7.565 1.00 3.34 H new ATOM 0 HB3 LYS A 25 -1.232 -8.487 -7.654 1.00 3.34 H new ATOM 0 HG2 LYS A 25 -2.177 -7.272 -9.638 1.00 43.41 H new ATOM 0 HG3 LYS A 25 -0.848 -6.132 -9.558 1.00 43.41 H new ATOM 0 HD2 LYS A 25 0.785 -8.000 -9.886 1.00 25.21 H new ATOM 0 HD3 LYS A 25 -0.534 -9.152 -9.942 1.00 25.21 H new ATOM 0 HE2 LYS A 25 -1.315 -8.369 -12.032 1.00 2.40 H new ATOM 0 HE3 LYS A 25 -0.542 -6.807 -11.853 1.00 2.40 H new ATOM 0 HZ1 LYS A 25 0.606 -8.174 -13.449 1.00 0.21 H new ATOM 0 HZ2 LYS A 25 1.609 -7.871 -12.112 1.00 0.21 H new ATOM 0 HZ3 LYS A 25 0.860 -9.385 -12.286 1.00 0.21 H new ATOM 407 N ASN A 26 -3.132 -8.099 -5.570 1.00 0.04 N ATOM 408 CA ASN A 26 -4.319 -8.770 -5.019 1.00 24.15 C ATOM 409 C ASN A 26 -5.287 -7.771 -4.357 1.00 5.03 C ATOM 410 O ASN A 26 -6.503 -7.845 -4.546 1.00 20.34 O ATOM 411 CB ASN A 26 -3.880 -9.860 -4.016 1.00 42.11 C ATOM 412 CG ASN A 26 -5.051 -10.606 -3.370 1.00 25.14 C ATOM 413 OD1 ASN A 26 -6.163 -10.611 -3.883 1.00 11.30 O ATOM 414 ND2 ASN A 26 -4.840 -11.256 -2.239 1.00 61.23 N ATOM 0 H ASN A 26 -2.257 -8.418 -5.154 1.00 0.04 H new ATOM 0 HA ASN A 26 -4.860 -9.237 -5.842 1.00 24.15 H new ATOM 0 HB2 ASN A 26 -3.241 -10.579 -4.530 1.00 42.11 H new ATOM 0 HB3 ASN A 26 -3.277 -9.400 -3.233 1.00 42.11 H new ATOM 0 HD21 ASN A 26 -5.604 -11.763 -1.792 1.00 61.23 H new ATOM 0 HD22 ASN A 26 -3.913 -11.251 -1.813 1.00 61.23 H new ATOM 421 N SER A 27 -4.767 -6.831 -3.562 1.00 13.11 N ATOM 422 CA SER A 27 -5.577 -5.819 -2.880 1.00 4.42 C ATOM 423 C SER A 27 -6.168 -4.768 -3.846 1.00 5.42 C ATOM 424 O SER A 27 -7.103 -4.073 -3.474 1.00 12.40 O ATOM 425 CB SER A 27 -4.749 -5.204 -1.740 1.00 11.43 C ATOM 426 OG SER A 27 -3.405 -4.970 -2.124 1.00 5.52 O ATOM 0 H SER A 27 -3.768 -6.751 -3.373 1.00 13.11 H new ATOM 0 HA SER A 27 -6.454 -6.301 -2.448 1.00 4.42 H new ATOM 0 HB2 SER A 27 -5.205 -4.265 -1.427 1.00 11.43 H new ATOM 0 HB3 SER A 27 -4.769 -5.871 -0.878 1.00 11.43 H new ATOM 0 HG SER A 27 -3.357 -4.862 -3.097 1.00 5.52 H new ATOM 432 N SER A 28 -5.653 -4.661 -5.073 1.00 53.23 N ATOM 433 CA SER A 28 -6.091 -3.748 -6.132 1.00 23.30 C ATOM 434 C SER A 28 -6.245 -2.262 -5.728 1.00 45.11 C ATOM 435 O SER A 28 -7.369 -1.755 -5.658 1.00 3.01 O ATOM 436 CB SER A 28 -7.381 -4.295 -6.761 1.00 2.25 C ATOM 437 OG SER A 28 -7.304 -5.681 -7.052 1.00 32.31 O ATOM 0 H SER A 28 -4.872 -5.245 -5.372 1.00 53.23 H new ATOM 0 HA SER A 28 -5.280 -3.724 -6.859 1.00 23.30 H new ATOM 0 HB2 SER A 28 -8.215 -4.116 -6.082 1.00 2.25 H new ATOM 0 HB3 SER A 28 -7.594 -3.747 -7.679 1.00 2.25 H new ATOM 0 HG SER A 28 -6.364 -5.947 -7.131 1.00 32.31 H new ATOM 443 N PRO A 29 -5.140 -1.531 -5.487 1.00 40.14 N ATOM 444 CA PRO A 29 -5.186 -0.110 -5.137 1.00 63.23 C ATOM 445 C PRO A 29 -5.711 0.713 -6.320 1.00 41.02 C ATOM 446 O PRO A 29 -5.774 0.246 -7.464 1.00 61.43 O ATOM 447 CB PRO A 29 -3.745 0.281 -4.783 1.00 63.51 C ATOM 448 CG PRO A 29 -2.917 -0.731 -5.574 1.00 1.32 C ATOM 449 CD PRO A 29 -3.765 -1.996 -5.532 1.00 63.23 C ATOM 0 HA PRO A 29 -5.859 0.082 -4.301 1.00 63.23 H new ATOM 0 HB2 PRO A 29 -3.520 1.306 -5.077 1.00 63.51 H new ATOM 0 HB3 PRO A 29 -3.557 0.208 -3.712 1.00 63.51 H new ATOM 0 HG2 PRO A 29 -2.745 -0.397 -6.597 1.00 1.32 H new ATOM 0 HG3 PRO A 29 -1.938 -0.889 -5.122 1.00 1.32 H new ATOM 0 HD2 PRO A 29 -3.588 -2.618 -6.409 1.00 63.23 H new ATOM 0 HD3 PRO A 29 -3.525 -2.602 -4.658 1.00 63.23 H new ATOM 457 N ASP A 30 -6.074 1.956 -6.033 1.00 45.24 N ATOM 458 CA ASP A 30 -6.585 2.935 -6.982 1.00 11.10 C ATOM 459 C ASP A 30 -5.437 3.857 -7.377 1.00 20.50 C ATOM 460 O ASP A 30 -5.174 4.084 -8.561 1.00 34.24 O ATOM 461 CB ASP A 30 -7.707 3.761 -6.327 1.00 31.32 C ATOM 462 CG ASP A 30 -8.084 4.984 -7.165 1.00 0.35 C ATOM 463 OD1 ASP A 30 -8.388 4.804 -8.361 1.00 53.23 O ATOM 464 OD2 ASP A 30 -8.123 6.120 -6.634 1.00 13.33 O ATOM 0 H ASP A 30 -6.017 2.327 -5.085 1.00 45.24 H new ATOM 0 HA ASP A 30 -6.988 2.431 -7.861 1.00 11.10 H new ATOM 0 HB2 ASP A 30 -8.586 3.132 -6.188 1.00 31.32 H new ATOM 0 HB3 ASP A 30 -7.387 4.085 -5.337 1.00 31.32 H new ATOM 469 N GLN A 31 -4.702 4.337 -6.374 1.00 31.34 N ATOM 470 CA GLN A 31 -3.586 5.263 -6.544 1.00 33.32 C ATOM 471 C GLN A 31 -2.284 4.600 -6.082 1.00 2.41 C ATOM 472 O GLN A 31 -2.332 3.742 -5.203 1.00 20.12 O ATOM 473 CB GLN A 31 -3.970 6.541 -5.776 1.00 52.41 C ATOM 474 CG GLN A 31 -3.378 7.866 -6.258 1.00 42.32 C ATOM 475 CD GLN A 31 -1.895 7.979 -5.960 1.00 73.52 C ATOM 476 OE1 GLN A 31 -1.080 7.957 -6.878 1.00 2.43 O ATOM 477 NE2 GLN A 31 -1.516 8.077 -4.694 1.00 63.35 N ATOM 0 H GLN A 31 -4.871 4.086 -5.400 1.00 31.34 H new ATOM 0 HA GLN A 31 -3.400 5.532 -7.584 1.00 33.32 H new ATOM 0 HB2 GLN A 31 -5.056 6.632 -5.798 1.00 52.41 H new ATOM 0 HB3 GLN A 31 -3.682 6.405 -4.734 1.00 52.41 H new ATOM 0 HG2 GLN A 31 -3.539 7.963 -7.332 1.00 42.32 H new ATOM 0 HG3 GLN A 31 -3.906 8.692 -5.781 1.00 42.32 H new ATOM 0 HE21 GLN A 31 -2.216 8.093 -3.952 1.00 63.35 H new ATOM 0 HE22 GLN A 31 -0.525 8.137 -4.462 1.00 63.35 H new ATOM 486 N ILE A 32 -1.138 4.951 -6.681 1.00 21.40 N ATOM 487 CA ILE A 32 0.191 4.412 -6.368 1.00 51.32 C ATOM 488 C ILE A 32 1.202 5.548 -6.588 1.00 23.25 C ATOM 489 O ILE A 32 1.412 5.960 -7.734 1.00 2.11 O ATOM 490 CB ILE A 32 0.520 3.180 -7.259 1.00 12.32 C ATOM 491 CG1 ILE A 32 -0.475 2.016 -7.040 1.00 64.23 C ATOM 492 CG2 ILE A 32 1.957 2.665 -7.028 1.00 4.22 C ATOM 493 CD1 ILE A 32 -0.295 0.867 -8.030 1.00 14.40 C ATOM 0 H ILE A 32 -1.111 5.646 -7.427 1.00 21.40 H new ATOM 0 HA ILE A 32 0.231 4.063 -5.336 1.00 51.32 H new ATOM 0 HB ILE A 32 0.429 3.530 -8.287 1.00 12.32 H new ATOM 0 HG12 ILE A 32 -0.357 1.634 -6.026 1.00 64.23 H new ATOM 0 HG13 ILE A 32 -1.493 2.398 -7.120 1.00 64.23 H new ATOM 0 HG21 ILE A 32 2.143 1.804 -7.671 1.00 4.22 H new ATOM 0 HG22 ILE A 32 2.669 3.455 -7.265 1.00 4.22 H new ATOM 0 HG23 ILE A 32 2.075 2.371 -5.985 1.00 4.22 H new ATOM 0 HD11 ILE A 32 -1.025 0.086 -7.818 1.00 14.40 H new ATOM 0 HD12 ILE A 32 -0.442 1.235 -9.045 1.00 14.40 H new ATOM 0 HD13 ILE A 32 0.711 0.459 -7.934 1.00 14.40 H new ATOM 505 N ARG A 33 1.836 6.055 -5.522 1.00 20.41 N ATOM 506 CA ARG A 33 2.818 7.136 -5.550 1.00 54.31 C ATOM 507 C ARG A 33 3.960 6.838 -4.568 1.00 74.41 C ATOM 508 O ARG A 33 3.773 7.009 -3.361 1.00 5.14 O ATOM 509 CB ARG A 33 2.056 8.425 -5.199 1.00 43.55 C ATOM 510 CG ARG A 33 2.594 9.629 -5.962 1.00 40.32 C ATOM 511 CD ARG A 33 1.768 10.850 -5.559 1.00 33.15 C ATOM 512 NE ARG A 33 2.374 12.115 -5.987 1.00 4.43 N ATOM 513 CZ ARG A 33 3.171 12.900 -5.255 1.00 34.43 C ATOM 514 NH1 ARG A 33 3.656 12.501 -4.080 1.00 33.53 N ATOM 515 NH2 ARG A 33 3.457 14.108 -5.708 1.00 32.14 N ATOM 0 H ARG A 33 1.668 5.705 -4.579 1.00 20.41 H new ATOM 0 HA ARG A 33 3.286 7.242 -6.529 1.00 54.31 H new ATOM 0 HB2 ARG A 33 0.998 8.294 -5.426 1.00 43.55 H new ATOM 0 HB3 ARG A 33 2.131 8.611 -4.128 1.00 43.55 H new ATOM 0 HG2 ARG A 33 3.647 9.788 -5.730 1.00 40.32 H new ATOM 0 HG3 ARG A 33 2.526 9.461 -7.037 1.00 40.32 H new ATOM 0 HD2 ARG A 33 0.771 10.766 -5.991 1.00 33.15 H new ATOM 0 HD3 ARG A 33 1.647 10.859 -4.476 1.00 33.15 H new ATOM 0 HE ARG A 33 2.167 12.426 -6.936 1.00 4.43 H new ATOM 0 HH11 ARG A 33 3.421 11.576 -3.719 1.00 33.53 H new ATOM 0 HH12 ARG A 33 4.262 13.120 -3.542 1.00 33.53 H new ATOM 0 HH21 ARG A 33 3.072 14.423 -6.598 1.00 32.14 H new ATOM 0 HH22 ARG A 33 4.063 14.725 -5.167 1.00 32.14 H new ATOM 529 N LEU A 34 5.132 6.421 -5.052 1.00 4.52 N ATOM 530 CA LEU A 34 6.327 6.082 -4.261 1.00 51.31 C ATOM 531 C LEU A 34 7.209 7.319 -4.060 1.00 12.22 C ATOM 532 O LEU A 34 7.532 8.019 -5.024 1.00 22.33 O ATOM 533 CB LEU A 34 7.083 4.932 -4.984 1.00 4.23 C ATOM 534 CG LEU A 34 8.407 4.357 -4.390 1.00 12.44 C ATOM 535 CD1 LEU A 34 9.604 5.228 -4.784 1.00 62.44 C ATOM 536 CD2 LEU A 34 8.357 4.216 -2.869 1.00 13.04 C ATOM 0 H LEU A 34 5.286 6.303 -6.054 1.00 4.52 H new ATOM 0 HA LEU A 34 6.041 5.742 -3.266 1.00 51.31 H new ATOM 0 HB2 LEU A 34 6.386 4.100 -5.081 1.00 4.23 H new ATOM 0 HB3 LEU A 34 7.307 5.279 -5.993 1.00 4.23 H new ATOM 0 HG LEU A 34 8.525 3.359 -4.812 1.00 12.44 H new ATOM 0 HD11 LEU A 34 10.515 4.808 -4.359 1.00 62.44 H new ATOM 0 HD12 LEU A 34 9.691 5.258 -5.870 1.00 62.44 H new ATOM 0 HD13 LEU A 34 9.459 6.239 -4.404 1.00 62.44 H new ATOM 0 HD21 LEU A 34 9.303 3.812 -2.510 1.00 13.04 H new ATOM 0 HD22 LEU A 34 8.185 5.194 -2.418 1.00 13.04 H new ATOM 0 HD23 LEU A 34 7.546 3.542 -2.593 1.00 13.04 H new ATOM 548 N ARG A 35 7.577 7.628 -2.811 1.00 34.24 N ATOM 549 CA ARG A 35 8.447 8.736 -2.415 1.00 75.41 C ATOM 550 C ARG A 35 9.680 8.149 -1.723 1.00 40.13 C ATOM 551 O ARG A 35 9.731 8.059 -0.490 1.00 51.25 O ATOM 552 CB ARG A 35 7.678 9.752 -1.545 1.00 0.10 C ATOM 553 CG ARG A 35 7.155 10.942 -2.358 1.00 45.05 C ATOM 554 CD ARG A 35 8.287 11.935 -2.627 1.00 52.43 C ATOM 555 NE ARG A 35 7.857 13.091 -3.429 1.00 64.22 N ATOM 556 CZ ARG A 35 8.684 14.043 -3.880 1.00 14.04 C ATOM 557 NH1 ARG A 35 10.000 13.910 -3.760 1.00 32.22 N ATOM 558 NH2 ARG A 35 8.202 15.145 -4.444 1.00 23.31 N ATOM 0 H ARG A 35 7.258 7.083 -2.010 1.00 34.24 H new ATOM 0 HA ARG A 35 8.783 9.299 -3.286 1.00 75.41 H new ATOM 0 HB2 ARG A 35 6.840 9.250 -1.061 1.00 0.10 H new ATOM 0 HB3 ARG A 35 8.332 10.116 -0.753 1.00 0.10 H new ATOM 0 HG2 ARG A 35 6.737 10.592 -3.302 1.00 45.05 H new ATOM 0 HG3 ARG A 35 6.349 11.436 -1.816 1.00 45.05 H new ATOM 0 HD2 ARG A 35 8.688 12.288 -1.677 1.00 52.43 H new ATOM 0 HD3 ARG A 35 9.098 11.422 -3.144 1.00 52.43 H new ATOM 0 HE ARG A 35 6.866 13.173 -3.656 1.00 64.22 H new ATOM 0 HH11 ARG A 35 10.390 13.076 -3.321 1.00 32.22 H new ATOM 0 HH12 ARG A 35 10.620 14.642 -4.107 1.00 32.22 H new ATOM 0 HH21 ARG A 35 7.194 15.272 -4.537 1.00 23.31 H new ATOM 0 HH22 ARG A 35 8.840 15.865 -4.784 1.00 23.31 H new ATOM 572 N ALA A 36 10.695 7.767 -2.505 1.00 42.33 N ATOM 573 CA ALA A 36 11.937 7.191 -1.987 1.00 23.20 C ATOM 574 C ALA A 36 12.646 8.120 -0.989 1.00 15.42 C ATOM 575 O ALA A 36 13.354 7.628 -0.112 1.00 52.42 O ATOM 576 CB ALA A 36 12.875 6.835 -3.140 1.00 12.42 C ATOM 0 H ALA A 36 10.676 7.850 -3.521 1.00 42.33 H new ATOM 0 HA ALA A 36 11.669 6.285 -1.444 1.00 23.20 H new ATOM 0 HB1 ALA A 36 13.795 6.408 -2.742 1.00 12.42 H new ATOM 0 HB2 ALA A 36 12.390 6.109 -3.792 1.00 12.42 H new ATOM 0 HB3 ALA A 36 13.109 7.734 -3.709 1.00 12.42 H new ATOM 582 N ASP A 37 12.362 9.427 -1.042 1.00 21.45 N ATOM 583 CA ASP A 37 12.903 10.498 -0.195 1.00 13.01 C ATOM 584 C ASP A 37 12.775 10.179 1.304 1.00 34.41 C ATOM 585 O ASP A 37 13.533 10.695 2.130 1.00 44.03 O ATOM 586 CB ASP A 37 12.135 11.791 -0.512 1.00 22.23 C ATOM 587 CG ASP A 37 12.354 12.267 -1.946 1.00 35.45 C ATOM 588 OD1 ASP A 37 11.582 11.815 -2.824 1.00 53.03 O ATOM 589 OD2 ASP A 37 13.269 13.078 -2.209 1.00 34.34 O ATOM 0 H ASP A 37 11.700 9.791 -1.728 1.00 21.45 H new ATOM 0 HA ASP A 37 13.966 10.605 -0.409 1.00 13.01 H new ATOM 0 HB2 ASP A 37 11.070 11.627 -0.346 1.00 22.23 H new ATOM 0 HB3 ASP A 37 12.448 12.574 0.179 1.00 22.23 H new ATOM 594 N LYS A 38 11.764 9.383 1.671 1.00 43.32 N ATOM 595 CA LYS A 38 11.473 8.908 3.021 1.00 72.15 C ATOM 596 C LYS A 38 11.181 7.400 3.008 1.00 11.13 C ATOM 597 O LYS A 38 10.701 6.868 4.008 1.00 13.32 O ATOM 598 CB LYS A 38 10.330 9.728 3.628 1.00 44.42 C ATOM 599 CG LYS A 38 10.821 10.998 4.320 1.00 51.01 C ATOM 600 CD LYS A 38 11.457 10.698 5.688 1.00 75.23 C ATOM 601 CE LYS A 38 11.608 12.017 6.441 1.00 11.14 C ATOM 602 NZ LYS A 38 12.160 11.852 7.797 1.00 4.20 N ATOM 0 H LYS A 38 11.089 9.035 0.990 1.00 43.32 H new ATOM 0 HA LYS A 38 12.346 9.052 3.657 1.00 72.15 H new ATOM 0 HB2 LYS A 38 9.624 9.997 2.843 1.00 44.42 H new ATOM 0 HB3 LYS A 38 9.789 9.113 4.347 1.00 44.42 H new ATOM 0 HG2 LYS A 38 11.550 11.500 3.683 1.00 51.01 H new ATOM 0 HG3 LYS A 38 9.986 11.686 4.451 1.00 51.01 H new ATOM 0 HD2 LYS A 38 10.833 10.006 6.254 1.00 75.23 H new ATOM 0 HD3 LYS A 38 12.428 10.220 5.560 1.00 75.23 H new ATOM 0 HE2 LYS A 38 12.257 12.681 5.870 1.00 11.14 H new ATOM 0 HE3 LYS A 38 10.635 12.503 6.509 1.00 11.14 H new ATOM 0 HZ1 LYS A 38 12.238 12.782 8.256 1.00 4.20 H new ATOM 0 HZ2 LYS A 38 11.530 11.242 8.356 1.00 4.20 H new ATOM 0 HZ3 LYS A 38 13.102 11.415 7.738 1.00 4.20 H new ATOM 616 N GLY A 39 11.393 6.724 1.876 1.00 11.40 N ATOM 617 CA GLY A 39 11.148 5.300 1.721 1.00 31.44 C ATOM 618 C GLY A 39 9.705 4.933 2.048 1.00 73.12 C ATOM 619 O GLY A 39 9.482 3.880 2.642 1.00 42.23 O ATOM 0 H GLY A 39 11.747 7.166 1.028 1.00 11.40 H new ATOM 0 HA2 GLY A 39 11.376 5.002 0.698 1.00 31.44 H new ATOM 0 HA3 GLY A 39 11.821 4.743 2.373 1.00 31.44 H new ATOM 623 N ILE A 40 8.746 5.798 1.707 1.00 31.12 N ATOM 624 CA ILE A 40 7.319 5.633 1.922 1.00 54.31 C ATOM 625 C ILE A 40 6.603 5.826 0.593 1.00 54.21 C ATOM 626 O ILE A 40 7.201 6.260 -0.394 1.00 31.52 O ATOM 627 CB ILE A 40 6.778 6.593 3.016 1.00 12.24 C ATOM 628 CG1 ILE A 40 7.355 8.014 2.969 1.00 73.33 C ATOM 629 CG2 ILE A 40 7.046 6.033 4.419 1.00 71.22 C ATOM 630 CD1 ILE A 40 6.930 8.841 1.765 1.00 13.02 C ATOM 0 H ILE A 40 8.965 6.682 1.247 1.00 31.12 H new ATOM 0 HA ILE A 40 7.127 4.626 2.293 1.00 54.31 H new ATOM 0 HB ILE A 40 5.711 6.661 2.803 1.00 12.24 H new ATOM 0 HG12 ILE A 40 7.058 8.541 3.876 1.00 73.33 H new ATOM 0 HG13 ILE A 40 8.443 7.949 2.980 1.00 73.33 H new ATOM 0 HG21 ILE A 40 6.657 6.724 5.167 1.00 71.22 H new ATOM 0 HG22 ILE A 40 6.552 5.067 4.526 1.00 71.22 H new ATOM 0 HG23 ILE A 40 8.119 5.909 4.562 1.00 71.22 H new ATOM 0 HD11 ILE A 40 7.389 9.828 1.822 1.00 13.02 H new ATOM 0 HD12 ILE A 40 7.252 8.343 0.850 1.00 13.02 H new ATOM 0 HD13 ILE A 40 5.845 8.945 1.760 1.00 13.02 H new ATOM 642 N ALA A 41 5.316 5.516 0.569 1.00 43.42 N ATOM 643 CA ALA A 41 4.462 5.635 -0.586 1.00 4.33 C ATOM 644 C ALA A 41 3.045 5.844 -0.087 1.00 54.42 C ATOM 645 O ALA A 41 2.773 5.727 1.112 1.00 51.14 O ATOM 646 CB ALA A 41 4.548 4.372 -1.447 1.00 51.42 C ATOM 0 H ALA A 41 4.826 5.161 1.390 1.00 43.42 H new ATOM 0 HA ALA A 41 4.774 6.475 -1.206 1.00 4.33 H new ATOM 0 HB1 ALA A 41 3.897 4.478 -2.315 1.00 51.42 H new ATOM 0 HB2 ALA A 41 5.576 4.228 -1.780 1.00 51.42 H new ATOM 0 HB3 ALA A 41 4.232 3.509 -0.860 1.00 51.42 H new ATOM 652 N PHE A 42 2.151 6.161 -1.012 1.00 3.34 N ATOM 653 CA PHE A 42 0.743 6.388 -0.738 1.00 4.30 C ATOM 654 C PHE A 42 -0.007 5.501 -1.716 1.00 21.43 C ATOM 655 O PHE A 42 0.377 5.404 -2.890 1.00 51.24 O ATOM 656 CB PHE A 42 0.358 7.871 -0.929 1.00 62.32 C ATOM 657 CG PHE A 42 1.156 8.848 -0.083 1.00 53.11 C ATOM 658 CD1 PHE A 42 2.497 9.158 -0.389 1.00 51.42 C ATOM 659 CD2 PHE A 42 0.555 9.435 1.040 1.00 32.22 C ATOM 660 CE1 PHE A 42 3.250 9.993 0.461 1.00 73.34 C ATOM 661 CE2 PHE A 42 1.298 10.262 1.896 1.00 22.32 C ATOM 662 CZ PHE A 42 2.649 10.534 1.613 1.00 13.02 C ATOM 0 H PHE A 42 2.392 6.270 -1.997 1.00 3.34 H new ATOM 0 HA PHE A 42 0.498 6.150 0.297 1.00 4.30 H new ATOM 0 HB2 PHE A 42 0.485 8.133 -1.979 1.00 62.32 H new ATOM 0 HB3 PHE A 42 -0.700 7.990 -0.697 1.00 62.32 H new ATOM 0 HD1 PHE A 42 2.951 8.753 -1.281 1.00 51.42 H new ATOM 0 HD2 PHE A 42 -0.488 9.249 1.248 1.00 32.22 H new ATOM 0 HE1 PHE A 42 4.281 10.216 0.230 1.00 73.34 H new ATOM 0 HE2 PHE A 42 0.833 10.690 2.772 1.00 22.32 H new ATOM 0 HZ PHE A 42 3.225 11.158 2.280 1.00 13.02 H new ATOM 672 N LEU A 43 -1.032 4.816 -1.221 1.00 35.11 N ATOM 673 CA LEU A 43 -1.874 3.929 -1.999 1.00 14.12 C ATOM 674 C LEU A 43 -3.297 4.179 -1.558 1.00 2.53 C ATOM 675 O LEU A 43 -3.610 3.901 -0.402 1.00 33.34 O ATOM 676 CB LEU A 43 -1.535 2.446 -1.807 1.00 3.01 C ATOM 677 CG LEU A 43 -0.164 2.036 -2.352 1.00 5.15 C ATOM 678 CD1 LEU A 43 0.917 2.055 -1.266 1.00 41.44 C ATOM 679 CD2 LEU A 43 -0.234 0.636 -2.955 1.00 73.31 C ATOM 0 H LEU A 43 -1.304 4.867 -0.239 1.00 35.11 H new ATOM 0 HA LEU A 43 -1.719 4.139 -3.057 1.00 14.12 H new ATOM 0 HB2 LEU A 43 -1.575 2.211 -0.743 1.00 3.01 H new ATOM 0 HB3 LEU A 43 -2.302 1.844 -2.295 1.00 3.01 H new ATOM 0 HG LEU A 43 0.105 2.764 -3.117 1.00 5.15 H new ATOM 0 HD11 LEU A 43 1.872 1.757 -1.698 1.00 41.44 H new ATOM 0 HD12 LEU A 43 1.002 3.061 -0.855 1.00 41.44 H new ATOM 0 HD13 LEU A 43 0.646 1.360 -0.471 1.00 41.44 H new ATOM 0 HD21 LEU A 43 0.747 0.356 -3.339 1.00 73.31 H new ATOM 0 HD22 LEU A 43 -0.540 -0.076 -2.188 1.00 73.31 H new ATOM 0 HD23 LEU A 43 -0.959 0.626 -3.769 1.00 73.31 H new ATOM 691 N GLU A 44 -4.087 4.824 -2.409 1.00 34.44 N ATOM 692 CA GLU A 44 -5.489 5.114 -2.124 1.00 24.23 C ATOM 693 C GLU A 44 -6.287 3.907 -2.609 1.00 12.11 C ATOM 694 O GLU A 44 -5.848 3.203 -3.527 1.00 11.20 O ATOM 695 CB GLU A 44 -5.989 6.377 -2.842 1.00 45.32 C ATOM 696 CG GLU A 44 -5.207 7.643 -2.462 1.00 52.23 C ATOM 697 CD GLU A 44 -5.604 8.904 -3.241 1.00 34.10 C ATOM 698 OE1 GLU A 44 -6.534 8.894 -4.077 1.00 32.44 O ATOM 699 OE2 GLU A 44 -4.931 9.936 -3.029 1.00 33.35 O ATOM 0 H GLU A 44 -3.773 5.162 -3.319 1.00 34.44 H new ATOM 0 HA GLU A 44 -5.611 5.296 -1.056 1.00 24.23 H new ATOM 0 HB2 GLU A 44 -5.920 6.225 -3.919 1.00 45.32 H new ATOM 0 HB3 GLU A 44 -7.043 6.526 -2.608 1.00 45.32 H new ATOM 0 HG2 GLU A 44 -5.345 7.832 -1.397 1.00 52.23 H new ATOM 0 HG3 GLU A 44 -4.144 7.457 -2.617 1.00 52.23 H new ATOM 706 N PHE A 45 -7.458 3.679 -2.023 1.00 2.41 N ATOM 707 CA PHE A 45 -8.347 2.581 -2.351 1.00 5.31 C ATOM 708 C PHE A 45 -9.774 3.113 -2.325 1.00 20.43 C ATOM 709 O PHE A 45 -10.262 3.518 -1.263 1.00 43.11 O ATOM 710 CB PHE A 45 -8.180 1.453 -1.331 1.00 43.43 C ATOM 711 CG PHE A 45 -6.894 0.658 -1.417 1.00 24.32 C ATOM 712 CD1 PHE A 45 -5.668 1.196 -0.978 1.00 63.11 C ATOM 713 CD2 PHE A 45 -6.947 -0.685 -1.824 1.00 23.10 C ATOM 714 CE1 PHE A 45 -4.511 0.396 -0.950 1.00 52.33 C ATOM 715 CE2 PHE A 45 -5.806 -1.491 -1.737 1.00 65.14 C ATOM 716 CZ PHE A 45 -4.585 -0.963 -1.293 1.00 13.10 C ATOM 0 H PHE A 45 -7.822 4.277 -1.282 1.00 2.41 H new ATOM 0 HA PHE A 45 -8.114 2.181 -3.338 1.00 5.31 H new ATOM 0 HB2 PHE A 45 -8.251 1.882 -0.331 1.00 43.43 H new ATOM 0 HB3 PHE A 45 -9.017 0.764 -1.443 1.00 43.43 H new ATOM 0 HD1 PHE A 45 -5.616 2.227 -0.662 1.00 63.11 H new ATOM 0 HD2 PHE A 45 -7.870 -1.097 -2.205 1.00 23.10 H new ATOM 0 HE1 PHE A 45 -3.564 0.829 -0.664 1.00 52.33 H new ATOM 0 HE2 PHE A 45 -5.867 -2.533 -2.015 1.00 65.14 H new ATOM 0 HZ PHE A 45 -3.712 -1.594 -1.216 1.00 13.10 H new ATOM 726 N ASP A 46 -10.439 3.093 -3.482 1.00 2.23 N ATOM 727 CA ASP A 46 -11.803 3.579 -3.620 1.00 25.32 C ATOM 728 C ASP A 46 -12.799 2.660 -2.919 1.00 60.11 C ATOM 729 O ASP A 46 -13.026 1.516 -3.330 1.00 22.32 O ATOM 730 CB ASP A 46 -12.203 3.779 -5.088 1.00 31.13 C ATOM 731 CG ASP A 46 -13.580 4.449 -5.161 1.00 33.32 C ATOM 732 OD1 ASP A 46 -13.859 5.294 -4.282 1.00 42.05 O ATOM 733 OD2 ASP A 46 -14.355 4.199 -6.112 1.00 41.21 O ATOM 0 H ASP A 46 -10.040 2.737 -4.350 1.00 2.23 H new ATOM 0 HA ASP A 46 -11.832 4.554 -3.133 1.00 25.32 H new ATOM 0 HB2 ASP A 46 -11.461 4.394 -5.597 1.00 31.13 H new ATOM 0 HB3 ASP A 46 -12.227 2.818 -5.603 1.00 31.13 H new ATOM 738 N ALA A 47 -13.357 3.133 -1.809 1.00 14.44 N ATOM 739 CA ALA A 47 -14.339 2.417 -1.016 1.00 34.50 C ATOM 740 C ALA A 47 -15.654 2.314 -1.782 1.00 13.53 C ATOM 741 O ALA A 47 -16.369 1.321 -1.622 1.00 43.53 O ATOM 742 CB ALA A 47 -14.537 3.103 0.339 1.00 51.11 C ATOM 0 H ALA A 47 -13.129 4.052 -1.429 1.00 14.44 H new ATOM 0 HA ALA A 47 -13.975 1.407 -0.826 1.00 34.50 H new ATOM 0 HB1 ALA A 47 -15.277 2.553 0.921 1.00 51.11 H new ATOM 0 HB2 ALA A 47 -13.591 3.121 0.879 1.00 51.11 H new ATOM 0 HB3 ALA A 47 -14.885 4.124 0.182 1.00 51.11 H new ATOM 748 N ASP A 48 -15.961 3.313 -2.615 1.00 42.32 N ATOM 749 CA ASP A 48 -17.181 3.352 -3.417 1.00 55.04 C ATOM 750 C ASP A 48 -17.190 2.258 -4.492 1.00 53.14 C ATOM 751 O ASP A 48 -18.254 1.853 -4.972 1.00 51.51 O ATOM 752 CB ASP A 48 -17.336 4.738 -4.042 1.00 12.43 C ATOM 753 CG ASP A 48 -18.686 4.879 -4.723 1.00 60.44 C ATOM 754 OD1 ASP A 48 -19.683 5.151 -4.009 1.00 61.53 O ATOM 755 OD2 ASP A 48 -18.755 4.757 -5.965 1.00 21.21 O ATOM 0 H ASP A 48 -15.360 4.126 -2.751 1.00 42.32 H new ATOM 0 HA ASP A 48 -18.031 3.157 -2.763 1.00 55.04 H new ATOM 0 HB2 ASP A 48 -17.231 5.502 -3.272 1.00 12.43 H new ATOM 0 HB3 ASP A 48 -16.539 4.905 -4.767 1.00 12.43 H new ATOM 760 N LYS A 49 -16.012 1.736 -4.855 1.00 35.31 N ATOM 761 CA LYS A 49 -15.874 0.675 -5.844 1.00 11.24 C ATOM 762 C LYS A 49 -16.602 -0.566 -5.330 1.00 60.41 C ATOM 763 O LYS A 49 -17.183 -1.278 -6.144 1.00 15.41 O ATOM 764 CB LYS A 49 -14.380 0.404 -6.117 1.00 5.15 C ATOM 765 CG LYS A 49 -14.025 -0.007 -7.559 1.00 24.52 C ATOM 766 CD LYS A 49 -14.649 -1.302 -8.108 1.00 14.54 C ATOM 767 CE LYS A 49 -14.418 -2.498 -7.179 1.00 74.52 C ATOM 768 NZ LYS A 49 -15.004 -3.756 -7.687 1.00 14.01 N ATOM 0 H LYS A 49 -15.123 2.046 -4.463 1.00 35.31 H new ATOM 0 HA LYS A 49 -16.323 0.969 -6.793 1.00 11.24 H new ATOM 0 HB2 LYS A 49 -13.816 1.302 -5.866 1.00 5.15 H new ATOM 0 HB3 LYS A 49 -14.044 -0.383 -5.442 1.00 5.15 H new ATOM 0 HG2 LYS A 49 -14.312 0.810 -8.221 1.00 24.52 H new ATOM 0 HG3 LYS A 49 -12.941 -0.104 -7.623 1.00 24.52 H new ATOM 0 HD2 LYS A 49 -15.720 -1.155 -8.249 1.00 14.54 H new ATOM 0 HD3 LYS A 49 -14.226 -1.519 -9.089 1.00 14.54 H new ATOM 0 HE2 LYS A 49 -13.346 -2.636 -7.036 1.00 74.52 H new ATOM 0 HE3 LYS A 49 -14.844 -2.276 -6.200 1.00 74.52 H new ATOM 0 HZ1 LYS A 49 -14.813 -4.525 -7.013 1.00 14.01 H new ATOM 0 HZ2 LYS A 49 -16.032 -3.640 -7.798 1.00 14.01 H new ATOM 0 HZ3 LYS A 49 -14.581 -3.989 -8.608 1.00 14.01 H new ATOM 782 N ASP A 50 -16.552 -0.864 -4.025 1.00 55.52 N ATOM 783 CA ASP A 50 -17.224 -2.020 -3.431 1.00 25.32 C ATOM 784 C ASP A 50 -17.442 -1.826 -1.932 1.00 71.42 C ATOM 785 O ASP A 50 -16.515 -2.021 -1.132 1.00 15.43 O ATOM 786 CB ASP A 50 -16.448 -3.318 -3.659 1.00 12.34 C ATOM 787 CG ASP A 50 -17.240 -4.557 -3.233 1.00 12.34 C ATOM 788 OD1 ASP A 50 -18.317 -4.457 -2.595 1.00 44.22 O ATOM 789 OD2 ASP A 50 -16.749 -5.662 -3.549 1.00 43.12 O ATOM 0 H ASP A 50 -16.038 -0.301 -3.347 1.00 55.52 H new ATOM 0 HA ASP A 50 -18.189 -2.100 -3.931 1.00 25.32 H new ATOM 0 HB2 ASP A 50 -16.188 -3.402 -4.714 1.00 12.34 H new ATOM 0 HB3 ASP A 50 -15.512 -3.280 -3.102 1.00 12.34 H new ATOM 794 N ARG A 51 -18.678 -1.494 -1.546 1.00 22.13 N ATOM 795 CA ARG A 51 -19.068 -1.286 -0.148 1.00 64.52 C ATOM 796 C ARG A 51 -18.694 -2.457 0.748 1.00 23.13 C ATOM 797 O ARG A 51 -18.345 -2.221 1.906 1.00 5.30 O ATOM 798 CB ARG A 51 -20.605 -1.171 0.009 1.00 13.50 C ATOM 799 CG ARG A 51 -21.336 0.139 -0.300 1.00 51.02 C ATOM 800 CD ARG A 51 -21.314 0.476 -1.783 1.00 40.24 C ATOM 801 NE ARG A 51 -22.350 1.444 -2.184 1.00 42.05 N ATOM 802 CZ ARG A 51 -22.104 2.660 -2.679 1.00 3.03 C ATOM 803 NH1 ARG A 51 -20.974 3.291 -2.387 1.00 32.14 N ATOM 804 NH2 ARG A 51 -22.997 3.247 -3.463 1.00 2.03 N ATOM 0 H ARG A 51 -19.446 -1.360 -2.204 1.00 22.13 H new ATOM 0 HA ARG A 51 -18.545 -0.374 0.139 1.00 64.52 H new ATOM 0 HB2 ARG A 51 -21.048 -1.940 -0.623 1.00 13.50 H new ATOM 0 HB3 ARG A 51 -20.840 -1.432 1.041 1.00 13.50 H new ATOM 0 HG2 ARG A 51 -22.370 0.064 0.038 1.00 51.02 H new ATOM 0 HG3 ARG A 51 -20.875 0.951 0.262 1.00 51.02 H new ATOM 0 HD2 ARG A 51 -20.334 0.878 -2.041 1.00 40.24 H new ATOM 0 HD3 ARG A 51 -21.444 -0.441 -2.357 1.00 40.24 H new ATOM 0 HE ARG A 51 -23.325 1.165 -2.076 1.00 42.05 H new ATOM 0 HH11 ARG A 51 -20.285 2.848 -1.780 1.00 32.14 H new ATOM 0 HH12 ARG A 51 -20.795 4.219 -2.770 1.00 32.14 H new ATOM 0 HH21 ARG A 51 -23.870 2.770 -3.687 1.00 2.03 H new ATOM 0 HH22 ARG A 51 -22.811 4.176 -3.842 1.00 2.03 H new ATOM 818 N THR A 52 -18.731 -3.692 0.256 1.00 71.24 N ATOM 819 CA THR A 52 -18.442 -4.865 1.072 1.00 11.01 C ATOM 820 C THR A 52 -17.161 -5.604 0.660 1.00 72.14 C ATOM 821 O THR A 52 -16.915 -6.715 1.141 1.00 72.43 O ATOM 822 CB THR A 52 -19.729 -5.717 1.188 1.00 1.32 C ATOM 823 OG1 THR A 52 -20.911 -4.931 1.062 1.00 41.22 O ATOM 824 CG2 THR A 52 -19.855 -6.341 2.579 1.00 44.23 C ATOM 0 H THR A 52 -18.961 -3.906 -0.714 1.00 71.24 H new ATOM 0 HA THR A 52 -18.179 -4.559 2.085 1.00 11.01 H new ATOM 0 HB THR A 52 -19.643 -6.457 0.392 1.00 1.32 H new ATOM 0 HG1 THR A 52 -21.698 -5.509 1.140 1.00 41.22 H new ATOM 0 HG21 THR A 52 -20.768 -6.934 2.631 1.00 44.23 H new ATOM 0 HG22 THR A 52 -18.995 -6.983 2.769 1.00 44.23 H new ATOM 0 HG23 THR A 52 -19.892 -5.552 3.330 1.00 44.23 H new ATOM 832 N GLY A 53 -16.324 -4.987 -0.183 1.00 72.24 N ATOM 833 CA GLY A 53 -15.059 -5.544 -0.662 1.00 14.14 C ATOM 834 C GLY A 53 -13.860 -4.706 -0.223 1.00 31.13 C ATOM 835 O GLY A 53 -12.761 -5.246 -0.084 1.00 3.23 O ATOM 0 H GLY A 53 -16.517 -4.059 -0.560 1.00 72.24 H new ATOM 0 HA2 GLY A 53 -14.946 -6.561 -0.287 1.00 14.14 H new ATOM 0 HA3 GLY A 53 -15.079 -5.605 -1.750 1.00 14.14 H new ATOM 839 N ILE A 54 -14.054 -3.405 0.049 1.00 62.55 N ATOM 840 CA ILE A 54 -12.981 -2.510 0.488 1.00 64.14 C ATOM 841 C ILE A 54 -12.289 -3.068 1.746 1.00 4.02 C ATOM 842 O ILE A 54 -11.072 -2.935 1.894 1.00 12.30 O ATOM 843 CB ILE A 54 -13.526 -1.067 0.653 1.00 22.24 C ATOM 844 CG1 ILE A 54 -12.411 -0.053 0.996 1.00 4.40 C ATOM 845 CG2 ILE A 54 -14.655 -0.931 1.675 1.00 45.44 C ATOM 846 CD1 ILE A 54 -11.454 0.215 -0.167 1.00 1.52 C ATOM 0 H ILE A 54 -14.962 -2.948 -0.031 1.00 62.55 H new ATOM 0 HA ILE A 54 -12.204 -2.457 -0.275 1.00 64.14 H new ATOM 0 HB ILE A 54 -13.944 -0.836 -0.327 1.00 22.24 H new ATOM 0 HG12 ILE A 54 -12.868 0.887 1.305 1.00 4.40 H new ATOM 0 HG13 ILE A 54 -11.841 -0.425 1.847 1.00 4.40 H new ATOM 0 HG21 ILE A 54 -14.976 0.109 1.727 1.00 45.44 H new ATOM 0 HG22 ILE A 54 -15.496 -1.555 1.373 1.00 45.44 H new ATOM 0 HG23 ILE A 54 -14.299 -1.250 2.655 1.00 45.44 H new ATOM 0 HD11 ILE A 54 -10.697 0.935 0.143 1.00 1.52 H new ATOM 0 HD12 ILE A 54 -10.970 -0.716 -0.462 1.00 1.52 H new ATOM 0 HD13 ILE A 54 -12.012 0.617 -1.012 1.00 1.52 H new ATOM 858 N GLN A 55 -13.054 -3.750 2.610 1.00 4.00 N ATOM 859 CA GLN A 55 -12.565 -4.365 3.842 1.00 23.32 C ATOM 860 C GLN A 55 -11.432 -5.344 3.512 1.00 0.40 C ATOM 861 O GLN A 55 -10.295 -5.150 3.935 1.00 41.34 O ATOM 862 CB GLN A 55 -13.698 -5.137 4.564 1.00 11.15 C ATOM 863 CG GLN A 55 -13.786 -5.016 6.092 1.00 3.44 C ATOM 864 CD GLN A 55 -12.489 -4.688 6.823 1.00 52.34 C ATOM 865 OE1 GLN A 55 -12.401 -3.647 7.469 1.00 23.10 O ATOM 866 NE2 GLN A 55 -11.479 -5.529 6.746 1.00 13.13 N ATOM 0 H GLN A 55 -14.054 -3.890 2.464 1.00 4.00 H new ATOM 0 HA GLN A 55 -12.203 -3.573 4.498 1.00 23.32 H new ATOM 0 HB2 GLN A 55 -14.648 -4.805 4.146 1.00 11.15 H new ATOM 0 HB3 GLN A 55 -13.593 -6.194 4.317 1.00 11.15 H new ATOM 0 HG2 GLN A 55 -14.518 -4.244 6.332 1.00 3.44 H new ATOM 0 HG3 GLN A 55 -14.172 -5.955 6.487 1.00 3.44 H new ATOM 0 HE21 GLN A 55 -11.571 -6.389 6.205 1.00 13.13 H new ATOM 0 HE22 GLN A 55 -10.604 -5.321 7.228 1.00 13.13 H new ATOM 875 N ARG A 56 -11.720 -6.383 2.717 1.00 42.44 N ATOM 876 CA ARG A 56 -10.716 -7.379 2.363 1.00 15.21 C ATOM 877 C ARG A 56 -9.551 -6.755 1.626 1.00 24.13 C ATOM 878 O ARG A 56 -8.419 -7.186 1.835 1.00 13.41 O ATOM 879 CB ARG A 56 -11.334 -8.529 1.558 1.00 61.12 C ATOM 880 CG ARG A 56 -12.032 -9.511 2.503 1.00 1.22 C ATOM 881 CD ARG A 56 -11.039 -10.429 3.219 1.00 4.03 C ATOM 882 NE ARG A 56 -11.662 -11.114 4.355 1.00 31.50 N ATOM 883 CZ ARG A 56 -12.458 -12.184 4.350 1.00 52.42 C ATOM 884 NH1 ARG A 56 -12.801 -12.780 3.208 1.00 11.31 N ATOM 885 NH2 ARG A 56 -12.898 -12.640 5.515 1.00 13.20 N ATOM 0 H ARG A 56 -12.640 -6.550 2.310 1.00 42.44 H new ATOM 0 HA ARG A 56 -10.327 -7.797 3.292 1.00 15.21 H new ATOM 0 HB2 ARG A 56 -12.049 -8.135 0.836 1.00 61.12 H new ATOM 0 HB3 ARG A 56 -10.559 -9.045 0.991 1.00 61.12 H new ATOM 0 HG2 ARG A 56 -12.608 -8.954 3.242 1.00 1.22 H new ATOM 0 HG3 ARG A 56 -12.740 -10.116 1.937 1.00 1.22 H new ATOM 0 HD2 ARG A 56 -10.652 -11.167 2.516 1.00 4.03 H new ATOM 0 HD3 ARG A 56 -10.188 -9.844 3.568 1.00 4.03 H new ATOM 0 HE ARG A 56 -11.459 -10.719 5.273 1.00 31.50 H new ATOM 0 HH11 ARG A 56 -12.454 -12.419 2.320 1.00 11.31 H new ATOM 0 HH12 ARG A 56 -13.411 -13.598 3.222 1.00 11.31 H new ATOM 0 HH21 ARG A 56 -12.626 -12.174 6.381 1.00 13.20 H new ATOM 0 HH22 ARG A 56 -13.508 -13.457 5.545 1.00 13.20 H new ATOM 899 N ARG A 57 -9.792 -5.760 0.771 1.00 42.23 N ATOM 900 CA ARG A 57 -8.697 -5.107 0.062 1.00 61.32 C ATOM 901 C ARG A 57 -7.734 -4.511 1.089 1.00 3.15 C ATOM 902 O ARG A 57 -6.520 -4.668 0.935 1.00 3.43 O ATOM 903 CB ARG A 57 -9.239 -4.046 -0.894 1.00 74.33 C ATOM 904 CG ARG A 57 -9.895 -4.668 -2.131 1.00 62.33 C ATOM 905 CD ARG A 57 -10.342 -3.537 -3.058 1.00 11.15 C ATOM 906 NE ARG A 57 -10.443 -3.995 -4.447 1.00 2.41 N ATOM 907 CZ ARG A 57 -10.597 -3.206 -5.516 1.00 34.34 C ATOM 908 NH1 ARG A 57 -10.572 -1.876 -5.418 1.00 5.10 N ATOM 909 NH2 ARG A 57 -10.768 -3.769 -6.702 1.00 32.53 N ATOM 0 H ARG A 57 -10.720 -5.395 0.557 1.00 42.23 H new ATOM 0 HA ARG A 57 -8.155 -5.833 -0.544 1.00 61.32 H new ATOM 0 HB2 ARG A 57 -9.967 -3.425 -0.371 1.00 74.33 H new ATOM 0 HB3 ARG A 57 -8.426 -3.390 -1.206 1.00 74.33 H new ATOM 0 HG2 ARG A 57 -9.192 -5.324 -2.644 1.00 62.33 H new ATOM 0 HG3 ARG A 57 -10.749 -5.281 -1.841 1.00 62.33 H new ATOM 0 HD2 ARG A 57 -11.308 -3.154 -2.728 1.00 11.15 H new ATOM 0 HD3 ARG A 57 -9.633 -2.711 -2.996 1.00 11.15 H new ATOM 0 HE ARG A 57 -10.391 -5.000 -4.612 1.00 2.41 H new ATOM 0 HH11 ARG A 57 -10.432 -1.434 -4.509 1.00 5.10 H new ATOM 0 HH12 ARG A 57 -10.692 -1.301 -6.252 1.00 5.10 H new ATOM 0 HH21 ARG A 57 -10.780 -4.785 -6.787 1.00 32.53 H new ATOM 0 HH22 ARG A 57 -10.887 -3.186 -7.531 1.00 32.53 H new ATOM 923 N MET A 58 -8.254 -3.871 2.143 1.00 1.22 N ATOM 924 CA MET A 58 -7.428 -3.293 3.185 1.00 43.31 C ATOM 925 C MET A 58 -6.747 -4.419 3.953 1.00 64.42 C ATOM 926 O MET A 58 -5.542 -4.326 4.140 1.00 53.14 O ATOM 927 CB MET A 58 -8.236 -2.402 4.152 1.00 20.22 C ATOM 928 CG MET A 58 -7.949 -0.922 3.905 1.00 41.42 C ATOM 929 SD MET A 58 -8.560 0.242 5.143 1.00 73.15 S ATOM 930 CE MET A 58 -10.247 0.446 4.522 1.00 2.20 C ATOM 0 H MET A 58 -9.256 -3.745 2.288 1.00 1.22 H new ATOM 0 HA MET A 58 -6.686 -2.650 2.712 1.00 43.31 H new ATOM 0 HB2 MET A 58 -9.301 -2.595 4.025 1.00 20.22 H new ATOM 0 HB3 MET A 58 -7.986 -2.657 5.182 1.00 20.22 H new ATOM 0 HG2 MET A 58 -6.870 -0.794 3.822 1.00 41.42 H new ATOM 0 HG3 MET A 58 -8.378 -0.649 2.941 1.00 41.42 H new ATOM 0 HE1 MET A 58 -10.801 1.111 5.184 1.00 2.20 H new ATOM 0 HE2 MET A 58 -10.217 0.874 3.520 1.00 2.20 H new ATOM 0 HE3 MET A 58 -10.742 -0.525 4.487 1.00 2.20 H new ATOM 940 N ASP A 59 -7.452 -5.493 4.338 1.00 40.05 N ATOM 941 CA ASP A 59 -6.878 -6.630 5.078 1.00 14.42 C ATOM 942 C ASP A 59 -5.642 -7.155 4.352 1.00 12.44 C ATOM 943 O ASP A 59 -4.574 -7.300 4.942 1.00 21.25 O ATOM 944 CB ASP A 59 -7.838 -7.828 5.202 1.00 60.33 C ATOM 945 CG ASP A 59 -8.927 -7.733 6.261 1.00 21.33 C ATOM 946 OD1 ASP A 59 -8.718 -7.074 7.300 1.00 44.03 O ATOM 947 OD2 ASP A 59 -9.998 -8.349 6.030 1.00 40.21 O ATOM 0 H ASP A 59 -8.448 -5.599 4.143 1.00 40.05 H new ATOM 0 HA ASP A 59 -6.653 -6.243 6.072 1.00 14.42 H new ATOM 0 HB2 ASP A 59 -8.318 -7.979 4.235 1.00 60.33 H new ATOM 0 HB3 ASP A 59 -7.244 -8.719 5.406 1.00 60.33 H new ATOM 952 N ILE A 60 -5.788 -7.430 3.054 1.00 0.33 N ATOM 953 CA ILE A 60 -4.746 -7.949 2.182 1.00 60.25 C ATOM 954 C ILE A 60 -3.555 -6.992 2.145 1.00 72.22 C ATOM 955 O ILE A 60 -2.406 -7.447 2.089 1.00 62.41 O ATOM 956 CB ILE A 60 -5.371 -8.243 0.790 1.00 22.13 C ATOM 957 CG1 ILE A 60 -6.379 -9.415 0.858 1.00 20.40 C ATOM 958 CG2 ILE A 60 -4.320 -8.568 -0.284 1.00 40.14 C ATOM 959 CD1 ILE A 60 -7.378 -9.433 -0.310 1.00 63.11 C ATOM 0 H ILE A 60 -6.673 -7.290 2.567 1.00 0.33 H new ATOM 0 HA ILE A 60 -4.344 -8.889 2.561 1.00 60.25 H new ATOM 0 HB ILE A 60 -5.883 -7.324 0.506 1.00 22.13 H new ATOM 0 HG12 ILE A 60 -5.829 -10.356 0.870 1.00 20.40 H new ATOM 0 HG13 ILE A 60 -6.930 -9.356 1.796 1.00 20.40 H new ATOM 0 HG21 ILE A 60 -4.818 -8.764 -1.233 1.00 40.14 H new ATOM 0 HG22 ILE A 60 -3.642 -7.722 -0.398 1.00 40.14 H new ATOM 0 HG23 ILE A 60 -3.753 -9.449 0.017 1.00 40.14 H new ATOM 0 HD11 ILE A 60 -8.054 -10.281 -0.198 1.00 63.11 H new ATOM 0 HD12 ILE A 60 -7.954 -8.507 -0.311 1.00 63.11 H new ATOM 0 HD13 ILE A 60 -6.836 -9.524 -1.251 1.00 63.11 H new ATOM 971 N ALA A 61 -3.794 -5.680 2.140 1.00 31.40 N ATOM 972 CA ALA A 61 -2.722 -4.702 2.130 1.00 42.55 C ATOM 973 C ALA A 61 -2.056 -4.654 3.510 1.00 72.41 C ATOM 974 O ALA A 61 -0.834 -4.601 3.590 1.00 24.53 O ATOM 975 CB ALA A 61 -3.270 -3.324 1.735 1.00 40.51 C ATOM 0 H ALA A 61 -4.730 -5.275 2.143 1.00 31.40 H new ATOM 0 HA ALA A 61 -1.972 -4.991 1.394 1.00 42.55 H new ATOM 0 HB1 ALA A 61 -2.458 -2.597 1.730 1.00 40.51 H new ATOM 0 HB2 ALA A 61 -3.713 -3.380 0.740 1.00 40.51 H new ATOM 0 HB3 ALA A 61 -4.029 -3.015 2.453 1.00 40.51 H new ATOM 981 N LEU A 62 -2.844 -4.684 4.587 1.00 31.10 N ATOM 982 CA LEU A 62 -2.394 -4.622 5.980 1.00 63.41 C ATOM 983 C LEU A 62 -1.577 -5.851 6.358 1.00 54.33 C ATOM 984 O LEU A 62 -0.662 -5.770 7.179 1.00 15.30 O ATOM 985 CB LEU A 62 -3.604 -4.497 6.918 1.00 32.10 C ATOM 986 CG LEU A 62 -4.272 -3.108 6.927 1.00 51.02 C ATOM 987 CD1 LEU A 62 -5.631 -3.194 7.629 1.00 63.14 C ATOM 988 CD2 LEU A 62 -3.412 -2.048 7.629 1.00 13.42 C ATOM 0 H LEU A 62 -3.858 -4.755 4.509 1.00 31.10 H new ATOM 0 HA LEU A 62 -1.756 -3.745 6.085 1.00 63.41 H new ATOM 0 HB2 LEU A 62 -4.347 -5.241 6.631 1.00 32.10 H new ATOM 0 HB3 LEU A 62 -3.287 -4.739 7.932 1.00 32.10 H new ATOM 0 HG LEU A 62 -4.394 -2.803 5.888 1.00 51.02 H new ATOM 0 HD11 LEU A 62 -6.101 -2.210 7.634 1.00 63.14 H new ATOM 0 HD12 LEU A 62 -6.271 -3.899 7.098 1.00 63.14 H new ATOM 0 HD13 LEU A 62 -5.490 -3.534 8.655 1.00 63.14 H new ATOM 0 HD21 LEU A 62 -3.928 -1.088 7.608 1.00 13.42 H new ATOM 0 HD22 LEU A 62 -3.241 -2.345 8.664 1.00 13.42 H new ATOM 0 HD23 LEU A 62 -2.455 -1.957 7.115 1.00 13.42 H new ATOM 1000 N LEU A 63 -1.870 -6.992 5.739 1.00 74.33 N ATOM 1001 CA LEU A 63 -1.154 -8.233 5.986 1.00 53.33 C ATOM 1002 C LEU A 63 0.299 -8.118 5.514 1.00 14.40 C ATOM 1003 O LEU A 63 1.110 -8.964 5.875 1.00 24.30 O ATOM 1004 CB LEU A 63 -1.898 -9.404 5.315 1.00 71.34 C ATOM 1005 CG LEU A 63 -3.053 -9.937 6.186 1.00 12.23 C ATOM 1006 CD1 LEU A 63 -4.033 -10.749 5.334 1.00 33.33 C ATOM 1007 CD2 LEU A 63 -2.536 -10.812 7.335 1.00 41.41 C ATOM 0 H LEU A 63 -2.616 -7.078 5.049 1.00 74.33 H new ATOM 0 HA LEU A 63 -1.123 -8.431 7.057 1.00 53.33 H new ATOM 0 HB2 LEU A 63 -2.292 -9.078 4.352 1.00 71.34 H new ATOM 0 HB3 LEU A 63 -1.194 -10.212 5.114 1.00 71.34 H new ATOM 0 HG LEU A 63 -3.564 -9.073 6.612 1.00 12.23 H new ATOM 0 HD11 LEU A 63 -4.843 -11.118 5.963 1.00 33.33 H new ATOM 0 HD12 LEU A 63 -4.444 -10.115 4.549 1.00 33.33 H new ATOM 0 HD13 LEU A 63 -3.510 -11.592 4.883 1.00 33.33 H new ATOM 0 HD21 LEU A 63 -3.378 -11.170 7.927 1.00 41.41 H new ATOM 0 HD22 LEU A 63 -1.991 -11.664 6.927 1.00 41.41 H new ATOM 0 HD23 LEU A 63 -1.870 -10.225 7.968 1.00 41.41 H new ATOM 1019 N GLN A 64 0.641 -7.081 4.738 1.00 40.31 N ATOM 1020 CA GLN A 64 1.991 -6.845 4.241 1.00 64.32 C ATOM 1021 C GLN A 64 2.823 -6.042 5.269 1.00 44.52 C ATOM 1022 O GLN A 64 3.928 -5.584 4.975 1.00 32.34 O ATOM 1023 CB GLN A 64 1.956 -6.210 2.840 1.00 2.00 C ATOM 1024 CG GLN A 64 0.941 -6.817 1.860 1.00 1.30 C ATOM 1025 CD GLN A 64 1.093 -8.321 1.635 1.00 45.34 C ATOM 1026 OE1 GLN A 64 2.041 -8.784 1.007 1.00 32.32 O ATOM 1027 NE2 GLN A 64 0.126 -9.107 2.080 1.00 71.31 N ATOM 0 H GLN A 64 -0.029 -6.374 4.436 1.00 40.31 H new ATOM 0 HA GLN A 64 2.501 -7.801 4.123 1.00 64.32 H new ATOM 0 HB2 GLN A 64 1.739 -5.147 2.948 1.00 2.00 H new ATOM 0 HB3 GLN A 64 2.950 -6.289 2.400 1.00 2.00 H new ATOM 0 HG2 GLN A 64 -0.065 -6.618 2.230 1.00 1.30 H new ATOM 0 HG3 GLN A 64 1.034 -6.308 0.900 1.00 1.30 H new ATOM 0 HE21 GLN A 64 -0.656 -8.709 2.600 1.00 71.31 H new ATOM 0 HE22 GLN A 64 0.162 -10.111 1.903 1.00 71.31 H new ATOM 1036 N HIS A 65 2.289 -5.788 6.469 1.00 21.11 N ATOM 1037 CA HIS A 65 2.981 -5.082 7.535 1.00 44.43 C ATOM 1038 C HIS A 65 4.006 -6.068 8.073 1.00 32.42 C ATOM 1039 O HIS A 65 3.640 -7.125 8.598 1.00 5.31 O ATOM 1040 CB HIS A 65 2.011 -4.650 8.637 1.00 53.24 C ATOM 1041 CG HIS A 65 2.617 -3.786 9.707 1.00 64.11 C ATOM 1042 ND1 HIS A 65 3.783 -3.034 9.581 1.00 21.10 N ATOM 1043 CD2 HIS A 65 2.056 -3.541 10.924 1.00 72.41 C ATOM 1044 CE1 HIS A 65 3.898 -2.352 10.730 1.00 23.45 C ATOM 1045 NE2 HIS A 65 2.880 -2.642 11.557 1.00 31.24 N ATOM 0 H HIS A 65 1.344 -6.076 6.724 1.00 21.11 H new ATOM 0 HA HIS A 65 3.449 -4.168 7.169 1.00 44.43 H new ATOM 0 HB2 HIS A 65 1.181 -4.110 8.180 1.00 53.24 H new ATOM 0 HB3 HIS A 65 1.593 -5.542 9.103 1.00 53.24 H new ATOM 0 HD2 HIS A 65 1.144 -3.969 11.314 1.00 72.41 H new ATOM 0 HE1 HIS A 65 4.699 -1.664 10.959 1.00 23.45 H new ATOM 0 HE2 HIS A 65 2.742 -2.261 12.493 1.00 31.24 H new ATOM 1053 N GLY A 66 5.277 -5.739 7.910 1.00 54.31 N ATOM 1054 CA GLY A 66 6.406 -6.542 8.336 1.00 42.41 C ATOM 1055 C GLY A 66 6.857 -7.508 7.251 1.00 14.34 C ATOM 1056 O GLY A 66 7.680 -8.376 7.547 1.00 11.50 O ATOM 0 H GLY A 66 5.559 -4.869 7.458 1.00 54.31 H new ATOM 0 HA2 GLY A 66 7.235 -5.888 8.607 1.00 42.41 H new ATOM 0 HA3 GLY A 66 6.136 -7.102 9.231 1.00 42.41 H new ATOM 1060 N THR A 67 6.296 -7.458 6.036 1.00 22.51 N ATOM 1061 CA THR A 67 6.777 -8.366 5.012 1.00 5.34 C ATOM 1062 C THR A 67 8.127 -7.827 4.526 1.00 52.51 C ATOM 1063 O THR A 67 8.526 -6.679 4.763 1.00 12.32 O ATOM 1064 CB THR A 67 5.748 -8.613 3.894 1.00 21.24 C ATOM 1065 OG1 THR A 67 5.226 -7.434 3.332 1.00 3.33 O ATOM 1066 CG2 THR A 67 4.587 -9.460 4.412 1.00 72.25 C ATOM 0 H THR A 67 5.545 -6.828 5.755 1.00 22.51 H new ATOM 0 HA THR A 67 6.923 -9.364 5.424 1.00 5.34 H new ATOM 0 HB THR A 67 6.294 -9.137 3.109 1.00 21.24 H new ATOM 0 HG1 THR A 67 4.861 -6.867 4.043 1.00 3.33 H new ATOM 0 HG21 THR A 67 3.870 -9.624 3.608 1.00 72.25 H new ATOM 0 HG22 THR A 67 4.965 -10.420 4.763 1.00 72.25 H new ATOM 0 HG23 THR A 67 4.097 -8.941 5.235 1.00 72.25 H new ATOM 1074 N LEU A 68 8.865 -8.696 3.862 1.00 61.31 N ATOM 1075 CA LEU A 68 10.161 -8.467 3.290 1.00 62.44 C ATOM 1076 C LEU A 68 9.971 -8.098 1.820 1.00 11.41 C ATOM 1077 O LEU A 68 9.117 -8.661 1.134 1.00 41.23 O ATOM 1078 CB LEU A 68 10.992 -9.741 3.518 1.00 33.23 C ATOM 1079 CG LEU A 68 11.267 -10.037 5.015 1.00 41.04 C ATOM 1080 CD1 LEU A 68 12.451 -10.974 5.226 1.00 0.30 C ATOM 1081 CD2 LEU A 68 11.567 -8.795 5.857 1.00 4.11 C ATOM 0 H LEU A 68 8.542 -9.650 3.701 1.00 61.31 H new ATOM 0 HA LEU A 68 10.701 -7.640 3.751 1.00 62.44 H new ATOM 0 HB2 LEU A 68 10.470 -10.590 3.077 1.00 33.23 H new ATOM 0 HB3 LEU A 68 11.943 -9.644 2.994 1.00 33.23 H new ATOM 0 HG LEU A 68 10.332 -10.493 5.340 1.00 41.04 H new ATOM 0 HD11 LEU A 68 12.595 -11.144 6.293 1.00 0.30 H new ATOM 0 HD12 LEU A 68 12.255 -11.925 4.730 1.00 0.30 H new ATOM 0 HD13 LEU A 68 13.351 -10.524 4.806 1.00 0.30 H new ATOM 0 HD21 LEU A 68 11.747 -9.091 6.890 1.00 4.11 H new ATOM 0 HD22 LEU A 68 12.451 -8.294 5.464 1.00 4.11 H new ATOM 0 HD23 LEU A 68 10.716 -8.115 5.818 1.00 4.11 H new ATOM 1093 N LEU A 69 10.743 -7.126 1.340 1.00 41.13 N ATOM 1094 CA LEU A 69 10.732 -6.597 -0.015 1.00 55.23 C ATOM 1095 C LEU A 69 12.159 -6.215 -0.374 1.00 34.20 C ATOM 1096 O LEU A 69 12.749 -5.407 0.338 1.00 4.34 O ATOM 1097 CB LEU A 69 9.847 -5.340 -0.062 1.00 63.21 C ATOM 1098 CG LEU A 69 9.761 -4.685 -1.452 1.00 13.15 C ATOM 1099 CD1 LEU A 69 9.084 -5.614 -2.463 1.00 40.51 C ATOM 1100 CD2 LEU A 69 8.973 -3.382 -1.329 1.00 14.00 C ATOM 0 H LEU A 69 11.435 -6.660 1.927 1.00 41.13 H new ATOM 0 HA LEU A 69 10.342 -7.338 -0.713 1.00 55.23 H new ATOM 0 HB2 LEU A 69 8.842 -5.604 0.267 1.00 63.21 H new ATOM 0 HB3 LEU A 69 10.233 -4.610 0.649 1.00 63.21 H new ATOM 0 HG LEU A 69 10.770 -4.484 -1.813 1.00 13.15 H new ATOM 0 HD11 LEU A 69 9.038 -5.123 -3.435 1.00 40.51 H new ATOM 0 HD12 LEU A 69 9.657 -6.537 -2.550 1.00 40.51 H new ATOM 0 HD13 LEU A 69 8.074 -5.845 -2.125 1.00 40.51 H new ATOM 0 HD21 LEU A 69 8.903 -2.905 -2.307 1.00 14.00 H new ATOM 0 HD22 LEU A 69 7.971 -3.596 -0.958 1.00 14.00 H new ATOM 0 HD23 LEU A 69 9.482 -2.713 -0.635 1.00 14.00 H new ATOM 1112 N LYS A 70 12.708 -6.774 -1.456 1.00 54.34 N ATOM 1113 CA LYS A 70 14.070 -6.504 -1.940 1.00 61.44 C ATOM 1114 C LYS A 70 15.111 -6.434 -0.804 1.00 41.24 C ATOM 1115 O LYS A 70 15.919 -5.509 -0.733 1.00 24.25 O ATOM 1116 CB LYS A 70 14.092 -5.268 -2.849 1.00 3.45 C ATOM 1117 CG LYS A 70 13.095 -5.329 -4.022 1.00 32.11 C ATOM 1118 CD LYS A 70 13.603 -4.618 -5.285 1.00 24.33 C ATOM 1119 CE LYS A 70 13.398 -3.098 -5.367 1.00 74.13 C ATOM 1120 NZ LYS A 70 13.947 -2.617 -6.656 1.00 33.10 N ATOM 0 H LYS A 70 12.206 -7.445 -2.037 1.00 54.34 H new ATOM 0 HA LYS A 70 14.373 -7.358 -2.546 1.00 61.44 H new ATOM 0 HB2 LYS A 70 13.875 -4.385 -2.248 1.00 3.45 H new ATOM 0 HB3 LYS A 70 15.098 -5.142 -3.248 1.00 3.45 H new ATOM 0 HG2 LYS A 70 12.886 -6.372 -4.259 1.00 32.11 H new ATOM 0 HG3 LYS A 70 12.152 -4.878 -3.713 1.00 32.11 H new ATOM 0 HD2 LYS A 70 14.670 -4.820 -5.380 1.00 24.33 H new ATOM 0 HD3 LYS A 70 13.114 -5.072 -6.147 1.00 24.33 H new ATOM 0 HE2 LYS A 70 12.338 -2.854 -5.293 1.00 74.13 H new ATOM 0 HE3 LYS A 70 13.898 -2.603 -4.534 1.00 74.13 H new ATOM 0 HZ1 LYS A 70 14.466 -1.729 -6.502 1.00 33.10 H new ATOM 0 HZ2 LYS A 70 14.592 -3.333 -7.047 1.00 33.10 H new ATOM 0 HZ3 LYS A 70 13.168 -2.451 -7.325 1.00 33.10 H new ATOM 1134 N GLU A 71 15.060 -7.415 0.097 1.00 14.43 N ATOM 1135 CA GLU A 71 15.939 -7.589 1.256 1.00 20.34 C ATOM 1136 C GLU A 71 15.839 -6.523 2.354 1.00 42.44 C ATOM 1137 O GLU A 71 16.768 -6.330 3.138 1.00 65.21 O ATOM 1138 CB GLU A 71 17.363 -7.973 0.825 1.00 72.13 C ATOM 1139 CG GLU A 71 17.325 -9.343 0.132 1.00 75.42 C ATOM 1140 CD GLU A 71 18.661 -9.842 -0.398 1.00 32.33 C ATOM 1141 OE1 GLU A 71 19.652 -9.083 -0.355 1.00 13.44 O ATOM 1142 OE2 GLU A 71 18.689 -10.992 -0.902 1.00 32.43 O ATOM 0 H GLU A 71 14.361 -8.155 0.034 1.00 14.43 H new ATOM 0 HA GLU A 71 15.541 -8.447 1.797 1.00 20.34 H new ATOM 0 HB2 GLU A 71 17.767 -7.220 0.148 1.00 72.13 H new ATOM 0 HB3 GLU A 71 18.022 -8.008 1.693 1.00 72.13 H new ATOM 0 HG2 GLU A 71 16.936 -10.077 0.837 1.00 75.42 H new ATOM 0 HG3 GLU A 71 16.620 -9.292 -0.698 1.00 75.42 H new ATOM 1149 N LYS A 72 14.701 -5.840 2.433 1.00 20.10 N ATOM 1150 CA LYS A 72 14.362 -4.840 3.438 1.00 12.20 C ATOM 1151 C LYS A 72 13.047 -5.307 4.045 1.00 40.15 C ATOM 1152 O LYS A 72 12.307 -6.048 3.399 1.00 74.14 O ATOM 1153 CB LYS A 72 14.170 -3.454 2.804 1.00 63.15 C ATOM 1154 CG LYS A 72 15.497 -2.735 2.571 1.00 13.13 C ATOM 1155 CD LYS A 72 16.031 -2.111 3.861 1.00 31.13 C ATOM 1156 CE LYS A 72 17.380 -1.480 3.534 1.00 3.34 C ATOM 1157 NZ LYS A 72 17.789 -0.478 4.535 1.00 2.45 N ATOM 0 H LYS A 72 13.948 -5.978 1.759 1.00 20.10 H new ATOM 0 HA LYS A 72 15.157 -4.745 4.177 1.00 12.20 H new ATOM 0 HB2 LYS A 72 13.645 -3.561 1.855 1.00 63.15 H new ATOM 0 HB3 LYS A 72 13.538 -2.845 3.451 1.00 63.15 H new ATOM 0 HG2 LYS A 72 16.229 -3.439 2.176 1.00 13.13 H new ATOM 0 HG3 LYS A 72 15.364 -1.958 1.818 1.00 13.13 H new ATOM 0 HD2 LYS A 72 15.338 -1.361 4.241 1.00 31.13 H new ATOM 0 HD3 LYS A 72 16.139 -2.868 4.638 1.00 31.13 H new ATOM 0 HE2 LYS A 72 18.138 -2.261 3.474 1.00 3.34 H new ATOM 0 HE3 LYS A 72 17.329 -1.009 2.552 1.00 3.34 H new ATOM 0 HZ1 LYS A 72 18.711 -0.078 4.269 1.00 2.45 H new ATOM 0 HZ2 LYS A 72 17.080 0.282 4.575 1.00 2.45 H new ATOM 0 HZ3 LYS A 72 17.864 -0.930 5.468 1.00 2.45 H new ATOM 1171 N LYS A 73 12.765 -4.961 5.295 1.00 11.30 N ATOM 1172 CA LYS A 73 11.499 -5.317 5.957 1.00 32.41 C ATOM 1173 C LYS A 73 10.733 -4.008 5.919 1.00 53.54 C ATOM 1174 O LYS A 73 11.327 -2.969 6.240 1.00 51.24 O ATOM 1175 CB LYS A 73 11.726 -5.789 7.401 1.00 53.11 C ATOM 1176 CG LYS A 73 10.391 -6.215 8.038 1.00 31.12 C ATOM 1177 CD LYS A 73 10.521 -7.422 8.976 1.00 2.33 C ATOM 1178 CE LYS A 73 10.835 -7.089 10.428 1.00 41.11 C ATOM 1179 NZ LYS A 73 12.146 -6.448 10.641 1.00 45.02 N ATOM 0 H LYS A 73 13.402 -4.426 5.885 1.00 11.30 H new ATOM 0 HA LYS A 73 10.978 -6.144 5.474 1.00 32.41 H new ATOM 0 HB2 LYS A 73 12.426 -6.625 7.412 1.00 53.11 H new ATOM 0 HB3 LYS A 73 12.177 -4.988 7.986 1.00 53.11 H new ATOM 0 HG2 LYS A 73 9.978 -5.374 8.595 1.00 31.12 H new ATOM 0 HG3 LYS A 73 9.680 -6.454 7.247 1.00 31.12 H new ATOM 0 HD2 LYS A 73 9.590 -7.988 8.944 1.00 2.33 H new ATOM 0 HD3 LYS A 73 11.305 -8.076 8.593 1.00 2.33 H new ATOM 0 HE2 LYS A 73 10.056 -6.430 10.813 1.00 41.11 H new ATOM 0 HE3 LYS A 73 10.794 -8.007 11.015 1.00 41.11 H new ATOM 0 HZ1 LYS A 73 12.278 -6.256 11.655 1.00 45.02 H new ATOM 0 HZ2 LYS A 73 12.900 -7.081 10.307 1.00 45.02 H new ATOM 0 HZ3 LYS A 73 12.185 -5.554 10.112 1.00 45.02 H new ATOM 1193 N ILE A 74 9.453 -4.022 5.573 1.00 75.32 N ATOM 1194 CA ILE A 74 8.669 -2.796 5.464 1.00 41.03 C ATOM 1195 C ILE A 74 7.436 -2.798 6.360 1.00 64.22 C ATOM 1196 O ILE A 74 7.013 -3.843 6.841 1.00 1.22 O ATOM 1197 CB ILE A 74 8.383 -2.539 3.973 1.00 73.35 C ATOM 1198 CG1 ILE A 74 7.452 -3.612 3.373 1.00 1.05 C ATOM 1199 CG2 ILE A 74 9.724 -2.429 3.203 1.00 53.13 C ATOM 1200 CD1 ILE A 74 7.176 -3.368 1.892 1.00 11.52 C ATOM 0 H ILE A 74 8.932 -4.873 5.362 1.00 75.32 H new ATOM 0 HA ILE A 74 9.242 -1.951 5.847 1.00 41.03 H new ATOM 0 HB ILE A 74 7.849 -1.594 3.874 1.00 73.35 H new ATOM 0 HG12 ILE A 74 7.904 -4.596 3.500 1.00 1.05 H new ATOM 0 HG13 ILE A 74 6.510 -3.621 3.920 1.00 1.05 H new ATOM 0 HG21 ILE A 74 9.523 -2.247 2.147 1.00 53.13 H new ATOM 0 HG22 ILE A 74 10.310 -1.604 3.608 1.00 53.13 H new ATOM 0 HG23 ILE A 74 10.283 -3.358 3.311 1.00 53.13 H new ATOM 0 HD11 ILE A 74 6.516 -4.148 1.512 1.00 11.52 H new ATOM 0 HD12 ILE A 74 6.699 -2.396 1.766 1.00 11.52 H new ATOM 0 HD13 ILE A 74 8.115 -3.386 1.339 1.00 11.52 H new ATOM 1212 N ASN A 75 6.889 -1.611 6.619 1.00 21.22 N ATOM 1213 CA ASN A 75 5.713 -1.399 7.461 1.00 24.53 C ATOM 1214 C ASN A 75 4.500 -1.041 6.629 1.00 23.32 C ATOM 1215 O ASN A 75 4.656 -0.493 5.539 1.00 54.43 O ATOM 1216 CB ASN A 75 5.948 -0.242 8.458 1.00 33.11 C ATOM 1217 CG ASN A 75 6.328 1.089 7.821 1.00 2.51 C ATOM 1218 OD1 ASN A 75 7.490 1.486 7.825 1.00 33.43 O ATOM 1219 ND2 ASN A 75 5.385 1.816 7.246 1.00 72.43 N ATOM 0 H ASN A 75 7.264 -0.743 6.236 1.00 21.22 H new ATOM 0 HA ASN A 75 5.540 -2.333 7.995 1.00 24.53 H new ATOM 0 HB2 ASN A 75 5.042 -0.100 9.047 1.00 33.11 H new ATOM 0 HB3 ASN A 75 6.737 -0.534 9.151 1.00 33.11 H new ATOM 0 HD21 ASN A 75 5.623 2.705 6.807 1.00 72.43 H new ATOM 0 HD22 ASN A 75 4.419 1.488 7.242 1.00 72.43 H new ATOM 1226 N VAL A 76 3.309 -1.285 7.181 1.00 13.13 N ATOM 1227 CA VAL A 76 2.023 -0.988 6.577 1.00 31.32 C ATOM 1228 C VAL A 76 1.043 -0.637 7.703 1.00 21.21 C ATOM 1229 O VAL A 76 0.773 -1.474 8.562 1.00 52.44 O ATOM 1230 CB VAL A 76 1.507 -2.154 5.712 1.00 42.45 C ATOM 1231 CG1 VAL A 76 0.222 -1.690 5.031 1.00 61.11 C ATOM 1232 CG2 VAL A 76 2.489 -2.553 4.609 1.00 51.33 C ATOM 0 H VAL A 76 3.219 -1.714 8.102 1.00 13.13 H new ATOM 0 HA VAL A 76 2.125 -0.142 5.897 1.00 31.32 H new ATOM 0 HB VAL A 76 1.362 -3.015 6.364 1.00 42.45 H new ATOM 0 HG11 VAL A 76 -0.171 -2.494 4.409 1.00 61.11 H new ATOM 0 HG12 VAL A 76 -0.515 -1.424 5.788 1.00 61.11 H new ATOM 0 HG13 VAL A 76 0.434 -0.820 4.409 1.00 61.11 H new ATOM 0 HG21 VAL A 76 2.072 -3.379 4.032 1.00 51.33 H new ATOM 0 HG22 VAL A 76 2.662 -1.702 3.951 1.00 51.33 H new ATOM 0 HG23 VAL A 76 3.433 -2.863 5.057 1.00 51.33 H new ATOM 1242 N GLU A 77 0.507 0.582 7.717 1.00 5.44 N ATOM 1243 CA GLU A 77 -0.449 1.058 8.718 1.00 54.24 C ATOM 1244 C GLU A 77 -1.518 1.946 8.062 1.00 65.44 C ATOM 1245 O GLU A 77 -1.500 2.145 6.843 1.00 71.45 O ATOM 1246 CB GLU A 77 0.269 1.675 9.935 1.00 75.44 C ATOM 1247 CG GLU A 77 1.490 2.566 9.664 1.00 64.11 C ATOM 1248 CD GLU A 77 2.276 2.907 10.938 1.00 32.41 C ATOM 1249 OE1 GLU A 77 2.188 2.163 11.944 1.00 44.34 O ATOM 1250 OE2 GLU A 77 3.045 3.897 10.910 1.00 1.21 O ATOM 0 H GLU A 77 0.731 1.286 7.014 1.00 5.44 H new ATOM 0 HA GLU A 77 -0.997 0.213 9.134 1.00 54.24 H new ATOM 0 HB2 GLU A 77 -0.460 2.264 10.492 1.00 75.44 H new ATOM 0 HB3 GLU A 77 0.585 0.861 10.587 1.00 75.44 H new ATOM 0 HG2 GLU A 77 2.151 2.062 8.959 1.00 64.11 H new ATOM 0 HG3 GLU A 77 1.161 3.490 9.188 1.00 64.11 H new ATOM 1257 N LEU A 78 -2.525 2.376 8.825 1.00 33.34 N ATOM 1258 CA LEU A 78 -3.620 3.216 8.346 1.00 34.14 C ATOM 1259 C LEU A 78 -3.227 4.689 8.361 1.00 14.33 C ATOM 1260 O LEU A 78 -2.441 5.136 9.203 1.00 20.34 O ATOM 1261 CB LEU A 78 -4.880 3.010 9.200 1.00 32.15 C ATOM 1262 CG LEU A 78 -5.690 1.782 8.747 1.00 4.21 C ATOM 1263 CD1 LEU A 78 -5.288 0.552 9.559 1.00 40.05 C ATOM 1264 CD2 LEU A 78 -7.191 2.045 8.868 1.00 55.11 C ATOM 0 H LEU A 78 -2.602 2.144 9.815 1.00 33.34 H new ATOM 0 HA LEU A 78 -3.835 2.921 7.319 1.00 34.14 H new ATOM 0 HB2 LEU A 78 -4.594 2.890 10.245 1.00 32.15 H new ATOM 0 HB3 LEU A 78 -5.507 3.900 9.141 1.00 32.15 H new ATOM 0 HG LEU A 78 -5.467 1.591 7.697 1.00 4.21 H new ATOM 0 HD11 LEU A 78 -5.869 -0.309 9.228 1.00 40.05 H new ATOM 0 HD12 LEU A 78 -4.227 0.351 9.414 1.00 40.05 H new ATOM 0 HD13 LEU A 78 -5.481 0.735 10.616 1.00 40.05 H new ATOM 0 HD21 LEU A 78 -7.742 1.163 8.542 1.00 55.11 H new ATOM 0 HD22 LEU A 78 -7.439 2.265 9.906 1.00 55.11 H new ATOM 0 HD23 LEU A 78 -7.463 2.895 8.242 1.00 55.11 H new ATOM 1276 N THR A 79 -3.841 5.452 7.461 1.00 51.43 N ATOM 1277 CA THR A 79 -3.622 6.876 7.297 1.00 2.41 C ATOM 1278 C THR A 79 -4.901 7.428 6.678 1.00 14.24 C ATOM 1279 O THR A 79 -5.298 6.994 5.598 1.00 45.03 O ATOM 1280 CB THR A 79 -2.365 7.114 6.437 1.00 24.24 C ATOM 1281 OG1 THR A 79 -2.215 8.456 6.026 1.00 32.32 O ATOM 1282 CG2 THR A 79 -2.267 6.177 5.247 1.00 24.23 C ATOM 0 H THR A 79 -4.527 5.078 6.806 1.00 51.43 H new ATOM 0 HA THR A 79 -3.429 7.391 8.238 1.00 2.41 H new ATOM 0 HB THR A 79 -1.534 6.883 7.104 1.00 24.24 H new ATOM 0 HG1 THR A 79 -1.401 8.544 5.487 1.00 32.32 H new ATOM 0 HG21 THR A 79 -1.360 6.398 4.684 1.00 24.23 H new ATOM 0 HG22 THR A 79 -2.234 5.146 5.598 1.00 24.23 H new ATOM 0 HG23 THR A 79 -3.136 6.314 4.603 1.00 24.23 H new