USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 608 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 53 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 56 SER OG : rot 50:sc= 0.921 USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= 1.12 (180deg=1.08) USER MOD Single : A 29 SER OG : rot 65:sc= 1.31 USER MOD Single : A 33 LYS NZ :NH3+ -171:sc= 1.22 (180deg=0.943) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0511) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot -160:sc= -1.25 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -2.82! C(o=-2.8!,f=-10!) USER MOD Single : A 50 SER OG : rot -160:sc= 0.893 USER MOD Single : A 57 LYS NZ :NH3+ 172:sc= 2.4 (180deg=2.34) USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= 1.11 (180deg=0.813) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 179:sc= 1.1 (180deg=1.05) USER MOD Single : A 77 LYS NZ :NH3+ -163:sc= -0.0848 (180deg=-0.351) USER MOD Single : A 78 THR OG1 : rot -79:sc= 0.954 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 61 N PHE A 6 15.460 -1.170 -8.082 1.00 43.11 N ATOM 62 CA PHE A 6 14.869 -1.556 -6.808 1.00 73.01 C ATOM 63 C PHE A 6 15.659 -2.706 -6.202 1.00 55.23 C ATOM 64 O PHE A 6 16.410 -3.386 -6.901 1.00 71.35 O ATOM 65 CB PHE A 6 13.407 -1.990 -6.977 1.00 22.32 C ATOM 66 CG PHE A 6 12.444 -0.874 -7.271 1.00 73.30 C ATOM 67 CD1 PHE A 6 11.959 -0.076 -6.247 1.00 50.24 C ATOM 68 CD2 PHE A 6 12.005 -0.638 -8.563 1.00 10.44 C ATOM 69 CE1 PHE A 6 11.058 0.939 -6.507 1.00 22.25 C ATOM 70 CE2 PHE A 6 11.106 0.378 -8.830 1.00 52.41 C ATOM 71 CZ PHE A 6 10.631 1.167 -7.801 1.00 73.14 C ATOM 0 HA PHE A 6 14.900 -0.688 -6.150 1.00 73.01 H new ATOM 0 HB2 PHE A 6 13.351 -2.720 -7.784 1.00 22.32 H new ATOM 0 HB3 PHE A 6 13.086 -2.496 -6.067 1.00 22.32 H new ATOM 0 HD1 PHE A 6 12.289 -0.249 -5.233 1.00 50.24 H new ATOM 0 HD2 PHE A 6 12.369 -1.255 -9.371 1.00 10.44 H new ATOM 0 HE1 PHE A 6 10.688 1.553 -5.700 1.00 22.25 H new ATOM 0 HE2 PHE A 6 10.775 0.554 -9.843 1.00 52.41 H new ATOM 0 HZ PHE A 6 9.928 1.960 -8.007 1.00 73.14 H new ATOM 81 N ILE A 7 15.491 -2.920 -4.907 1.00 54.02 N ATOM 82 CA ILE A 7 16.106 -4.058 -4.243 1.00 70.12 C ATOM 83 C ILE A 7 15.297 -5.314 -4.550 1.00 53.50 C ATOM 84 O ILE A 7 15.767 -6.217 -5.243 1.00 23.34 O ATOM 85 CB ILE A 7 16.198 -3.853 -2.715 1.00 4.14 C ATOM 86 CG1 ILE A 7 16.937 -2.550 -2.399 1.00 33.35 C ATOM 87 CG2 ILE A 7 16.899 -5.034 -2.060 1.00 53.32 C ATOM 88 CD1 ILE A 7 16.981 -2.210 -0.923 1.00 71.14 C ATOM 0 H ILE A 7 14.935 -2.322 -4.296 1.00 54.02 H new ATOM 0 HA ILE A 7 17.123 -4.163 -4.620 1.00 70.12 H new ATOM 0 HB ILE A 7 15.187 -3.787 -2.312 1.00 4.14 H new ATOM 0 HG12 ILE A 7 17.957 -2.622 -2.775 1.00 33.35 H new ATOM 0 HG13 ILE A 7 16.456 -1.732 -2.936 1.00 33.35 H new ATOM 0 HG21 ILE A 7 16.955 -4.873 -0.983 1.00 53.32 H new ATOM 0 HG22 ILE A 7 16.339 -5.947 -2.261 1.00 53.32 H new ATOM 0 HG23 ILE A 7 17.906 -5.130 -2.465 1.00 53.32 H new ATOM 0 HD11 ILE A 7 17.521 -1.274 -0.781 1.00 71.14 H new ATOM 0 HD12 ILE A 7 15.965 -2.104 -0.544 1.00 71.14 H new ATOM 0 HD13 ILE A 7 17.489 -3.008 -0.381 1.00 71.14 H new ATOM 100 N ILE A 8 14.074 -5.351 -4.043 1.00 31.23 N ATOM 101 CA ILE A 8 13.143 -6.417 -4.367 1.00 63.01 C ATOM 102 C ILE A 8 12.301 -6.016 -5.574 1.00 23.12 C ATOM 103 O ILE A 8 11.814 -4.883 -5.667 1.00 71.23 O ATOM 104 CB ILE A 8 12.222 -6.759 -3.168 1.00 12.43 C ATOM 105 CG1 ILE A 8 13.060 -7.258 -1.988 1.00 31.41 C ATOM 106 CG2 ILE A 8 11.183 -7.805 -3.561 1.00 44.44 C ATOM 107 CD1 ILE A 8 12.253 -7.526 -0.733 1.00 42.41 C ATOM 0 H ILE A 8 13.703 -4.650 -3.402 1.00 31.23 H new ATOM 0 HA ILE A 8 13.723 -7.309 -4.603 1.00 63.01 H new ATOM 0 HB ILE A 8 11.694 -5.853 -2.870 1.00 12.43 H new ATOM 0 HG12 ILE A 8 13.573 -8.174 -2.281 1.00 31.41 H new ATOM 0 HG13 ILE A 8 13.829 -6.519 -1.763 1.00 31.41 H new ATOM 0 HG21 ILE A 8 10.549 -8.028 -2.703 1.00 44.44 H new ATOM 0 HG22 ILE A 8 10.569 -7.420 -4.375 1.00 44.44 H new ATOM 0 HG23 ILE A 8 11.688 -8.715 -3.886 1.00 44.44 H new ATOM 0 HD11 ILE A 8 12.916 -7.876 0.058 1.00 42.41 H new ATOM 0 HD12 ILE A 8 11.761 -6.607 -0.414 1.00 42.41 H new ATOM 0 HD13 ILE A 8 11.501 -8.287 -0.940 1.00 42.41 H new ATOM 119 N LYS A 9 12.159 -6.938 -6.505 1.00 62.24 N ATOM 120 CA LYS A 9 11.407 -6.709 -7.719 1.00 71.23 C ATOM 121 C LYS A 9 10.043 -7.377 -7.616 1.00 15.25 C ATOM 122 O LYS A 9 9.591 -7.706 -6.520 1.00 71.42 O ATOM 123 CB LYS A 9 12.198 -7.265 -8.900 1.00 24.10 C ATOM 124 CG LYS A 9 13.560 -6.607 -9.068 1.00 61.25 C ATOM 125 CD LYS A 9 14.450 -7.381 -10.025 1.00 72.42 C ATOM 126 CE LYS A 9 13.868 -7.437 -11.426 1.00 24.24 C ATOM 127 NZ LYS A 9 14.763 -8.165 -12.363 1.00 71.15 N ATOM 0 H LYS A 9 12.565 -7.871 -6.439 1.00 62.24 H new ATOM 0 HA LYS A 9 11.249 -5.641 -7.867 1.00 71.23 H new ATOM 0 HB2 LYS A 9 12.333 -8.338 -8.766 1.00 24.10 H new ATOM 0 HB3 LYS A 9 11.620 -7.128 -9.814 1.00 24.10 H new ATOM 0 HG2 LYS A 9 13.428 -5.590 -9.437 1.00 61.25 H new ATOM 0 HG3 LYS A 9 14.049 -6.533 -8.097 1.00 61.25 H new ATOM 0 HD2 LYS A 9 15.435 -6.916 -10.060 1.00 72.42 H new ATOM 0 HD3 LYS A 9 14.590 -8.395 -9.650 1.00 72.42 H new ATOM 0 HE2 LYS A 9 12.895 -7.927 -11.397 1.00 24.24 H new ATOM 0 HE3 LYS A 9 13.703 -6.424 -11.793 1.00 24.24 H new ATOM 0 HZ1 LYS A 9 14.333 -8.183 -13.310 1.00 71.15 H new ATOM 0 HZ2 LYS A 9 15.683 -7.683 -12.410 1.00 71.15 H new ATOM 0 HZ3 LYS A 9 14.900 -9.139 -12.026 1.00 71.15 H new ATOM 141 N GLU A 10 9.377 -7.542 -8.750 1.00 11.23 N ATOM 142 CA GLU A 10 8.128 -8.279 -8.796 1.00 23.43 C ATOM 143 C GLU A 10 8.349 -9.722 -8.361 1.00 42.21 C ATOM 144 O GLU A 10 9.482 -10.214 -8.348 1.00 55.11 O ATOM 145 CB GLU A 10 7.552 -8.245 -10.207 1.00 31.30 C ATOM 146 CG GLU A 10 6.584 -7.102 -10.451 1.00 44.00 C ATOM 147 CD GLU A 10 5.300 -7.263 -9.662 1.00 25.44 C ATOM 148 OE1 GLU A 10 4.891 -8.420 -9.419 1.00 53.05 O ATOM 149 OE2 GLU A 10 4.692 -6.244 -9.287 1.00 71.01 O ATOM 0 H GLU A 10 9.684 -7.174 -9.650 1.00 11.23 H new ATOM 0 HA GLU A 10 7.421 -7.810 -8.112 1.00 23.43 H new ATOM 0 HB2 GLU A 10 8.372 -8.172 -10.921 1.00 31.30 H new ATOM 0 HB3 GLU A 10 7.042 -9.188 -10.403 1.00 31.30 H new ATOM 0 HG2 GLU A 10 7.060 -6.160 -10.179 1.00 44.00 H new ATOM 0 HG3 GLU A 10 6.351 -7.046 -11.514 1.00 44.00 H new ATOM 156 N GLY A 11 7.270 -10.406 -8.042 1.00 40.24 N ATOM 157 CA GLY A 11 7.379 -11.756 -7.545 1.00 24.51 C ATOM 158 C GLY A 11 6.036 -12.436 -7.459 1.00 51.41 C ATOM 159 O GLY A 11 5.037 -11.923 -7.967 1.00 14.41 O ATOM 0 H GLY A 11 6.317 -10.051 -8.118 1.00 40.24 H new ATOM 0 HA2 GLY A 11 8.035 -12.331 -8.198 1.00 24.51 H new ATOM 0 HA3 GLY A 11 7.843 -11.743 -6.559 1.00 24.51 H new ATOM 163 N ASP A 12 6.011 -13.582 -6.807 1.00 25.22 N ATOM 164 CA ASP A 12 4.796 -14.375 -6.695 1.00 71.42 C ATOM 165 C ASP A 12 4.067 -14.026 -5.409 1.00 45.30 C ATOM 166 O ASP A 12 2.850 -14.169 -5.309 1.00 44.23 O ATOM 167 CB ASP A 12 5.127 -15.869 -6.714 1.00 14.51 C ATOM 168 CG ASP A 12 6.040 -16.250 -7.863 1.00 51.25 C ATOM 169 OD1 ASP A 12 7.276 -16.206 -7.679 1.00 12.10 O ATOM 170 OD2 ASP A 12 5.537 -16.594 -8.951 1.00 2.22 O ATOM 0 H ASP A 12 6.823 -13.989 -6.343 1.00 25.22 H new ATOM 0 HA ASP A 12 4.154 -14.148 -7.546 1.00 71.42 H new ATOM 0 HB2 ASP A 12 5.601 -16.144 -5.772 1.00 14.51 H new ATOM 0 HB3 ASP A 12 4.202 -16.441 -6.785 1.00 14.51 H new ATOM 175 N GLU A 13 4.830 -13.580 -4.427 1.00 51.01 N ATOM 176 CA GLU A 13 4.289 -13.177 -3.136 1.00 20.14 C ATOM 177 C GLU A 13 4.629 -11.721 -2.837 1.00 53.14 C ATOM 178 O GLU A 13 4.541 -11.274 -1.695 1.00 11.24 O ATOM 179 CB GLU A 13 4.810 -14.086 -2.009 1.00 2.40 C ATOM 180 CG GLU A 13 6.122 -14.809 -2.313 1.00 71.52 C ATOM 181 CD GLU A 13 7.262 -13.880 -2.691 1.00 25.11 C ATOM 182 OE1 GLU A 13 7.934 -13.341 -1.786 1.00 11.54 O ATOM 183 OE2 GLU A 13 7.498 -13.700 -3.908 1.00 13.35 O ATOM 0 H GLU A 13 5.843 -13.486 -4.500 1.00 51.01 H new ATOM 0 HA GLU A 13 3.205 -13.279 -3.185 1.00 20.14 H new ATOM 0 HB2 GLU A 13 4.945 -13.484 -1.111 1.00 2.40 H new ATOM 0 HB3 GLU A 13 4.047 -14.831 -1.782 1.00 2.40 H new ATOM 0 HG2 GLU A 13 6.415 -15.392 -1.440 1.00 71.52 H new ATOM 0 HG3 GLU A 13 5.956 -15.515 -3.127 1.00 71.52 H new ATOM 190 N VAL A 14 5.004 -10.988 -3.874 1.00 71.43 N ATOM 191 CA VAL A 14 5.373 -9.583 -3.732 1.00 3.23 C ATOM 192 C VAL A 14 4.265 -8.685 -4.271 1.00 22.12 C ATOM 193 O VAL A 14 3.840 -8.840 -5.416 1.00 65.31 O ATOM 194 CB VAL A 14 6.679 -9.257 -4.492 1.00 31.44 C ATOM 195 CG1 VAL A 14 7.139 -7.837 -4.193 1.00 31.31 C ATOM 196 CG2 VAL A 14 7.772 -10.261 -4.160 1.00 71.20 C ATOM 0 H VAL A 14 5.062 -11.343 -4.829 1.00 71.43 H new ATOM 0 HA VAL A 14 5.525 -9.399 -2.668 1.00 3.23 H new ATOM 0 HB VAL A 14 6.472 -9.330 -5.560 1.00 31.44 H new ATOM 0 HG11 VAL A 14 8.060 -7.630 -4.739 1.00 31.31 H new ATOM 0 HG12 VAL A 14 6.368 -7.132 -4.502 1.00 31.31 H new ATOM 0 HG13 VAL A 14 7.320 -7.731 -3.123 1.00 31.31 H new ATOM 0 HG21 VAL A 14 8.679 -10.007 -4.709 1.00 71.20 H new ATOM 0 HG22 VAL A 14 7.977 -10.235 -3.090 1.00 71.20 H new ATOM 0 HG23 VAL A 14 7.445 -11.262 -4.443 1.00 71.20 H new ATOM 206 N ALA A 15 3.792 -7.759 -3.448 1.00 11.44 N ATOM 207 CA ALA A 15 2.776 -6.804 -3.875 1.00 4.41 C ATOM 208 C ALA A 15 3.142 -5.395 -3.430 1.00 1.53 C ATOM 209 O ALA A 15 3.399 -5.159 -2.249 1.00 64.52 O ATOM 210 CB ALA A 15 1.414 -7.193 -3.322 1.00 62.43 C ATOM 0 H ALA A 15 4.095 -7.648 -2.480 1.00 11.44 H new ATOM 0 HA ALA A 15 2.728 -6.821 -4.964 1.00 4.41 H new ATOM 0 HB1 ALA A 15 0.668 -6.470 -3.650 1.00 62.43 H new ATOM 0 HB2 ALA A 15 1.143 -8.184 -3.686 1.00 62.43 H new ATOM 0 HB3 ALA A 15 1.453 -7.205 -2.233 1.00 62.43 H new ATOM 216 N ASP A 16 3.186 -4.463 -4.375 1.00 52.15 N ATOM 217 CA ASP A 16 3.510 -3.083 -4.059 1.00 42.23 C ATOM 218 C ASP A 16 2.297 -2.179 -4.164 1.00 71.33 C ATOM 219 O ASP A 16 1.408 -2.390 -4.990 1.00 22.04 O ATOM 220 CB ASP A 16 4.640 -2.550 -4.952 1.00 10.32 C ATOM 221 CG ASP A 16 4.348 -2.620 -6.436 1.00 3.03 C ATOM 222 OD1 ASP A 16 3.588 -1.774 -6.944 1.00 2.13 O ATOM 223 OD2 ASP A 16 4.914 -3.507 -7.110 1.00 32.42 O ATOM 0 H ASP A 16 3.002 -4.640 -5.362 1.00 52.15 H new ATOM 0 HA ASP A 16 3.852 -3.075 -3.024 1.00 42.23 H new ATOM 0 HB2 ASP A 16 4.842 -1.513 -4.682 1.00 10.32 H new ATOM 0 HB3 ASP A 16 5.548 -3.116 -4.745 1.00 10.32 H new ATOM 228 N VAL A 17 2.267 -1.183 -3.298 1.00 43.34 N ATOM 229 CA VAL A 17 1.232 -0.170 -3.321 1.00 40.03 C ATOM 230 C VAL A 17 1.850 1.162 -3.698 1.00 44.13 C ATOM 231 O VAL A 17 2.915 1.533 -3.197 1.00 73.34 O ATOM 232 CB VAL A 17 0.524 -0.028 -1.958 1.00 31.14 C ATOM 233 CG1 VAL A 17 -0.704 0.860 -2.073 1.00 11.54 C ATOM 234 CG2 VAL A 17 0.155 -1.390 -1.387 1.00 61.20 C ATOM 0 H VAL A 17 2.959 -1.055 -2.560 1.00 43.34 H new ATOM 0 HA VAL A 17 0.485 -0.475 -4.054 1.00 40.03 H new ATOM 0 HB VAL A 17 1.222 0.447 -1.269 1.00 31.14 H new ATOM 0 HG11 VAL A 17 -1.185 0.944 -1.098 1.00 11.54 H new ATOM 0 HG12 VAL A 17 -0.406 1.850 -2.417 1.00 11.54 H new ATOM 0 HG13 VAL A 17 -1.403 0.423 -2.786 1.00 11.54 H new ATOM 0 HG21 VAL A 17 -0.343 -1.259 -0.426 1.00 61.20 H new ATOM 0 HG22 VAL A 17 -0.516 -1.904 -2.076 1.00 61.20 H new ATOM 0 HG23 VAL A 17 1.059 -1.984 -1.250 1.00 61.20 H new ATOM 244 N THR A 18 1.189 1.860 -4.592 1.00 22.20 N ATOM 245 CA THR A 18 1.670 3.132 -5.080 1.00 21.51 C ATOM 246 C THR A 18 0.768 4.255 -4.575 1.00 52.45 C ATOM 247 O THR A 18 -0.392 4.363 -4.974 1.00 31.33 O ATOM 248 CB THR A 18 1.709 3.122 -6.618 1.00 35.21 C ATOM 249 OG1 THR A 18 2.387 1.939 -7.070 1.00 15.53 O ATOM 250 CG2 THR A 18 2.413 4.356 -7.161 1.00 23.50 C ATOM 0 H THR A 18 0.303 1.563 -5.001 1.00 22.20 H new ATOM 0 HA THR A 18 2.680 3.302 -4.708 1.00 21.51 H new ATOM 0 HB THR A 18 0.684 3.128 -6.988 1.00 35.21 H new ATOM 0 HG1 THR A 18 2.411 1.930 -8.050 1.00 15.53 H new ATOM 0 HG21 THR A 18 2.424 4.319 -8.250 1.00 23.50 H new ATOM 0 HG22 THR A 18 1.883 5.251 -6.834 1.00 23.50 H new ATOM 0 HG23 THR A 18 3.437 4.384 -6.789 1.00 23.50 H new ATOM 258 N ILE A 19 1.299 5.073 -3.676 1.00 73.51 N ATOM 259 CA ILE A 19 0.509 6.109 -3.028 1.00 4.31 C ATOM 260 C ILE A 19 0.884 7.486 -3.574 1.00 14.44 C ATOM 261 O ILE A 19 2.046 7.733 -3.902 1.00 14.55 O ATOM 262 CB ILE A 19 0.720 6.098 -1.497 1.00 52.33 C ATOM 263 CG1 ILE A 19 0.717 4.661 -0.961 1.00 52.32 C ATOM 264 CG2 ILE A 19 -0.360 6.921 -0.808 1.00 43.41 C ATOM 265 CD1 ILE A 19 1.078 4.552 0.508 1.00 4.54 C ATOM 0 H ILE A 19 2.274 5.038 -3.379 1.00 73.51 H new ATOM 0 HA ILE A 19 -0.540 5.903 -3.241 1.00 4.31 H new ATOM 0 HB ILE A 19 1.691 6.544 -1.281 1.00 52.33 H new ATOM 0 HG12 ILE A 19 -0.271 4.228 -1.115 1.00 52.32 H new ATOM 0 HG13 ILE A 19 1.420 4.065 -1.543 1.00 52.32 H new ATOM 0 HG21 ILE A 19 -0.198 6.904 0.270 1.00 43.41 H new ATOM 0 HG22 ILE A 19 -0.317 7.950 -1.165 1.00 43.41 H new ATOM 0 HG23 ILE A 19 -1.339 6.499 -1.035 1.00 43.41 H new ATOM 0 HD11 ILE A 19 1.054 3.506 0.812 1.00 4.54 H new ATOM 0 HD12 ILE A 19 2.079 4.953 0.667 1.00 4.54 H new ATOM 0 HD13 ILE A 19 0.361 5.119 1.102 1.00 4.54 H new ATOM 277 N PHE A 20 -0.107 8.370 -3.676 1.00 44.13 N ATOM 278 CA PHE A 20 0.107 9.729 -4.161 1.00 55.44 C ATOM 279 C PHE A 20 -0.411 10.736 -3.138 1.00 11.35 C ATOM 280 O PHE A 20 -1.498 10.556 -2.583 1.00 44.55 O ATOM 281 CB PHE A 20 -0.629 9.957 -5.482 1.00 64.25 C ATOM 282 CG PHE A 20 -0.341 8.937 -6.551 1.00 34.24 C ATOM 283 CD1 PHE A 20 -1.118 7.794 -6.667 1.00 51.33 C ATOM 284 CD2 PHE A 20 0.697 9.129 -7.447 1.00 24.05 C ATOM 285 CE1 PHE A 20 -0.861 6.862 -7.656 1.00 65.10 C ATOM 286 CE2 PHE A 20 0.956 8.200 -8.438 1.00 52.11 C ATOM 287 CZ PHE A 20 0.177 7.067 -8.543 1.00 73.43 C ATOM 0 H PHE A 20 -1.074 8.165 -3.426 1.00 44.13 H new ATOM 0 HA PHE A 20 1.178 9.865 -4.315 1.00 55.44 H new ATOM 0 HB2 PHE A 20 -1.701 9.965 -5.287 1.00 64.25 H new ATOM 0 HB3 PHE A 20 -0.367 10.944 -5.862 1.00 64.25 H new ATOM 0 HD1 PHE A 20 -1.933 7.630 -5.977 1.00 51.33 H new ATOM 0 HD2 PHE A 20 1.311 10.014 -7.371 1.00 24.05 H new ATOM 0 HE1 PHE A 20 -1.472 5.975 -7.734 1.00 65.10 H new ATOM 0 HE2 PHE A 20 1.769 8.362 -9.130 1.00 52.11 H new ATOM 0 HZ PHE A 20 0.378 6.342 -9.317 1.00 73.43 H new ATOM 297 N ALA A 21 0.360 11.790 -2.907 1.00 22.24 N ATOM 298 CA ALA A 21 -0.023 12.845 -1.969 1.00 62.12 C ATOM 299 C ALA A 21 0.914 14.039 -2.094 1.00 4.30 C ATOM 300 O ALA A 21 1.957 13.947 -2.740 1.00 23.20 O ATOM 301 CB ALA A 21 -0.021 12.331 -0.535 1.00 11.44 C ATOM 0 H ALA A 21 1.262 11.941 -3.359 1.00 22.24 H new ATOM 0 HA ALA A 21 -1.035 13.162 -2.220 1.00 62.12 H new ATOM 0 HB1 ALA A 21 -0.309 13.136 0.141 1.00 11.44 H new ATOM 0 HB2 ALA A 21 -0.730 11.508 -0.442 1.00 11.44 H new ATOM 0 HB3 ALA A 21 0.978 11.980 -0.276 1.00 11.44 H new ATOM 307 N GLU A 22 0.530 15.156 -1.483 1.00 21.05 N ATOM 308 CA GLU A 22 1.332 16.376 -1.500 1.00 11.14 C ATOM 309 C GLU A 22 2.714 16.168 -0.882 1.00 53.35 C ATOM 310 O GLU A 22 3.719 16.625 -1.427 1.00 42.22 O ATOM 311 CB GLU A 22 0.612 17.494 -0.737 1.00 3.02 C ATOM 312 CG GLU A 22 -0.525 18.162 -1.498 1.00 14.22 C ATOM 313 CD GLU A 22 -1.596 17.194 -1.952 1.00 41.02 C ATOM 314 OE1 GLU A 22 -1.970 16.304 -1.168 1.00 65.24 O ATOM 315 OE2 GLU A 22 -2.068 17.322 -3.101 1.00 44.15 O ATOM 0 H GLU A 22 -0.344 15.241 -0.963 1.00 21.05 H new ATOM 0 HA GLU A 22 1.463 16.654 -2.546 1.00 11.14 H new ATOM 0 HB2 GLU A 22 0.216 17.083 0.192 1.00 3.02 H new ATOM 0 HB3 GLU A 22 1.342 18.255 -0.463 1.00 3.02 H new ATOM 0 HG2 GLU A 22 -0.979 18.923 -0.863 1.00 14.22 H new ATOM 0 HG3 GLU A 22 -0.117 18.675 -2.369 1.00 14.22 H new ATOM 322 N THR A 23 2.760 15.497 0.258 1.00 15.42 N ATOM 323 CA THR A 23 3.997 15.359 1.006 1.00 33.31 C ATOM 324 C THR A 23 4.345 13.899 1.266 1.00 23.13 C ATOM 325 O THR A 23 3.471 13.027 1.275 1.00 45.14 O ATOM 326 CB THR A 23 3.905 16.095 2.358 1.00 23.32 C ATOM 327 OG1 THR A 23 2.711 15.694 3.048 1.00 30.24 O ATOM 328 CG2 THR A 23 3.907 17.605 2.162 1.00 51.41 C ATOM 0 H THR A 23 1.954 15.040 0.685 1.00 15.42 H new ATOM 0 HA THR A 23 4.782 15.803 0.394 1.00 33.31 H new ATOM 0 HB THR A 23 4.778 15.828 2.953 1.00 23.32 H new ATOM 0 HG1 THR A 23 2.657 16.162 3.907 1.00 30.24 H new ATOM 0 HG21 THR A 23 3.841 18.098 3.132 1.00 51.41 H new ATOM 0 HG22 THR A 23 4.829 17.906 1.664 1.00 51.41 H new ATOM 0 HG23 THR A 23 3.053 17.894 1.550 1.00 51.41 H new ATOM 336 N LYS A 24 5.628 13.652 1.492 1.00 22.13 N ATOM 337 CA LYS A 24 6.113 12.331 1.858 1.00 1.31 C ATOM 338 C LYS A 24 5.551 11.951 3.216 1.00 50.42 C ATOM 339 O LYS A 24 5.217 10.799 3.461 1.00 65.31 O ATOM 340 CB LYS A 24 7.644 12.338 1.906 1.00 23.32 C ATOM 341 CG LYS A 24 8.264 10.985 2.227 1.00 53.43 C ATOM 342 CD LYS A 24 9.786 11.033 2.157 1.00 52.31 C ATOM 343 CE LYS A 24 10.384 11.976 3.196 1.00 32.22 C ATOM 344 NZ LYS A 24 10.257 11.447 4.583 1.00 15.33 N ATOM 0 H LYS A 24 6.359 14.360 1.427 1.00 22.13 H new ATOM 0 HA LYS A 24 5.788 11.602 1.116 1.00 1.31 H new ATOM 0 HB2 LYS A 24 8.025 12.681 0.944 1.00 23.32 H new ATOM 0 HB3 LYS A 24 7.970 13.061 2.654 1.00 23.32 H new ATOM 0 HG2 LYS A 24 7.955 10.670 3.224 1.00 53.43 H new ATOM 0 HG3 LYS A 24 7.891 10.238 1.527 1.00 53.43 H new ATOM 0 HD2 LYS A 24 10.186 10.030 2.307 1.00 52.31 H new ATOM 0 HD3 LYS A 24 10.092 11.353 1.161 1.00 52.31 H new ATOM 0 HE2 LYS A 24 11.437 12.142 2.968 1.00 32.22 H new ATOM 0 HE3 LYS A 24 9.887 12.944 3.132 1.00 32.22 H new ATOM 0 HZ1 LYS A 24 10.923 11.945 5.207 1.00 15.33 H new ATOM 0 HZ2 LYS A 24 9.286 11.596 4.924 1.00 15.33 H new ATOM 0 HZ3 LYS A 24 10.473 10.430 4.588 1.00 15.33 H new ATOM 358 N ASP A 25 5.450 12.948 4.084 1.00 74.33 N ATOM 359 CA ASP A 25 4.877 12.780 5.421 1.00 12.23 C ATOM 360 C ASP A 25 3.496 12.132 5.355 1.00 23.24 C ATOM 361 O ASP A 25 3.199 11.190 6.095 1.00 14.03 O ATOM 362 CB ASP A 25 4.784 14.142 6.113 1.00 11.00 C ATOM 363 CG ASP A 25 4.186 14.068 7.505 1.00 2.05 C ATOM 364 OD1 ASP A 25 2.945 14.087 7.624 1.00 61.13 O ATOM 365 OD2 ASP A 25 4.957 14.024 8.487 1.00 53.13 O ATOM 0 H ASP A 25 5.762 13.899 3.885 1.00 74.33 H new ATOM 0 HA ASP A 25 5.529 12.121 5.994 1.00 12.23 H new ATOM 0 HB2 ASP A 25 5.781 14.579 6.176 1.00 11.00 H new ATOM 0 HB3 ASP A 25 4.181 14.812 5.501 1.00 11.00 H new ATOM 370 N ALA A 26 2.657 12.634 4.457 1.00 52.44 N ATOM 371 CA ALA A 26 1.323 12.078 4.265 1.00 44.00 C ATOM 372 C ALA A 26 1.411 10.655 3.725 1.00 1.11 C ATOM 373 O ALA A 26 0.711 9.757 4.199 1.00 54.20 O ATOM 374 CB ALA A 26 0.509 12.958 3.332 1.00 61.21 C ATOM 0 H ALA A 26 2.876 13.424 3.851 1.00 52.44 H new ATOM 0 HA ALA A 26 0.819 12.046 5.231 1.00 44.00 H new ATOM 0 HB1 ALA A 26 -0.484 12.528 3.200 1.00 61.21 H new ATOM 0 HB2 ALA A 26 0.418 13.956 3.760 1.00 61.21 H new ATOM 0 HB3 ALA A 26 1.008 13.022 2.365 1.00 61.21 H new ATOM 380 N LEU A 27 2.292 10.460 2.749 1.00 10.15 N ATOM 381 CA LEU A 27 2.543 9.147 2.178 1.00 12.51 C ATOM 382 C LEU A 27 2.976 8.161 3.259 1.00 52.34 C ATOM 383 O LEU A 27 2.476 7.042 3.326 1.00 41.51 O ATOM 384 CB LEU A 27 3.637 9.254 1.112 1.00 54.21 C ATOM 385 CG LEU A 27 3.300 10.131 -0.096 1.00 35.04 C ATOM 386 CD1 LEU A 27 4.510 10.278 -1.004 1.00 55.41 C ATOM 387 CD2 LEU A 27 2.128 9.544 -0.862 1.00 64.15 C ATOM 0 H LEU A 27 2.849 11.207 2.335 1.00 10.15 H new ATOM 0 HA LEU A 27 1.621 8.782 1.726 1.00 12.51 H new ATOM 0 HB2 LEU A 27 4.540 9.645 1.582 1.00 54.21 H new ATOM 0 HB3 LEU A 27 3.872 8.251 0.756 1.00 54.21 H new ATOM 0 HG LEU A 27 3.020 11.121 0.263 1.00 35.04 H new ATOM 0 HD11 LEU A 27 4.251 10.905 -1.857 1.00 55.41 H new ATOM 0 HD12 LEU A 27 5.327 10.740 -0.450 1.00 55.41 H new ATOM 0 HD13 LEU A 27 4.821 9.295 -1.357 1.00 55.41 H new ATOM 0 HD21 LEU A 27 1.899 10.178 -1.719 1.00 64.15 H new ATOM 0 HD22 LEU A 27 2.385 8.543 -1.209 1.00 64.15 H new ATOM 0 HD23 LEU A 27 1.257 9.489 -0.209 1.00 64.15 H new ATOM 399 N GLU A 28 3.904 8.592 4.103 1.00 42.44 N ATOM 400 CA GLU A 28 4.420 7.772 5.182 1.00 13.13 C ATOM 401 C GLU A 28 3.332 7.427 6.187 1.00 63.21 C ATOM 402 O GLU A 28 3.298 6.313 6.706 1.00 34.31 O ATOM 403 CB GLU A 28 5.565 8.499 5.876 1.00 13.12 C ATOM 404 CG GLU A 28 6.823 8.585 5.033 1.00 22.25 C ATOM 405 CD GLU A 28 7.916 9.382 5.708 1.00 62.01 C ATOM 406 OE1 GLU A 28 7.955 10.616 5.526 1.00 44.30 O ATOM 407 OE2 GLU A 28 8.754 8.781 6.410 1.00 62.43 O ATOM 0 H GLU A 28 4.319 9.523 4.055 1.00 42.44 H new ATOM 0 HA GLU A 28 4.786 6.838 4.756 1.00 13.13 H new ATOM 0 HB2 GLU A 28 5.241 9.507 6.136 1.00 13.12 H new ATOM 0 HB3 GLU A 28 5.797 7.988 6.810 1.00 13.12 H new ATOM 0 HG2 GLU A 28 7.187 7.579 4.824 1.00 22.25 H new ATOM 0 HG3 GLU A 28 6.583 9.043 4.073 1.00 22.25 H new ATOM 414 N SER A 29 2.444 8.378 6.452 1.00 53.44 N ATOM 415 CA SER A 29 1.355 8.168 7.395 1.00 2.13 C ATOM 416 C SER A 29 0.433 7.048 6.918 1.00 71.44 C ATOM 417 O SER A 29 0.024 6.185 7.698 1.00 74.40 O ATOM 418 CB SER A 29 0.566 9.466 7.574 1.00 0.22 C ATOM 419 OG SER A 29 1.404 10.524 8.018 1.00 53.12 O ATOM 0 H SER A 29 2.458 9.304 6.025 1.00 53.44 H new ATOM 0 HA SER A 29 1.778 7.873 8.355 1.00 2.13 H new ATOM 0 HB2 SER A 29 0.098 9.742 6.629 1.00 0.22 H new ATOM 0 HB3 SER A 29 -0.237 9.309 8.294 1.00 0.22 H new ATOM 0 HG SER A 29 2.067 10.729 7.326 1.00 53.12 H new ATOM 425 N GLU A 30 0.116 7.067 5.634 1.00 25.41 N ATOM 426 CA GLU A 30 -0.701 6.045 5.024 1.00 51.33 C ATOM 427 C GLU A 30 0.078 4.744 4.881 1.00 42.31 C ATOM 428 O GLU A 30 -0.435 3.665 5.182 1.00 62.13 O ATOM 429 CB GLU A 30 -1.165 6.550 3.666 1.00 32.30 C ATOM 430 CG GLU A 30 -2.279 7.578 3.757 1.00 3.51 C ATOM 431 CD GLU A 30 -2.811 7.983 2.401 1.00 14.33 C ATOM 432 OE1 GLU A 30 -3.184 7.091 1.614 1.00 65.40 O ATOM 433 OE2 GLU A 30 -2.891 9.196 2.128 1.00 4.33 O ATOM 0 H GLU A 30 0.421 7.795 4.989 1.00 25.41 H new ATOM 0 HA GLU A 30 -1.565 5.837 5.655 1.00 51.33 H new ATOM 0 HB2 GLU A 30 -0.317 6.989 3.140 1.00 32.30 H new ATOM 0 HB3 GLU A 30 -1.508 5.705 3.069 1.00 32.30 H new ATOM 0 HG2 GLU A 30 -3.094 7.172 4.356 1.00 3.51 H new ATOM 0 HG3 GLU A 30 -1.910 8.462 4.277 1.00 3.51 H new ATOM 440 N LEU A 31 1.324 4.857 4.438 1.00 52.23 N ATOM 441 CA LEU A 31 2.186 3.697 4.248 1.00 63.23 C ATOM 442 C LEU A 31 2.333 2.916 5.543 1.00 71.31 C ATOM 443 O LEU A 31 2.296 1.688 5.546 1.00 24.04 O ATOM 444 CB LEU A 31 3.565 4.131 3.770 1.00 43.41 C ATOM 445 CG LEU A 31 4.427 3.007 3.201 1.00 14.42 C ATOM 446 CD1 LEU A 31 3.856 2.517 1.881 1.00 13.21 C ATOM 447 CD2 LEU A 31 5.866 3.467 3.036 1.00 71.41 C ATOM 0 H LEU A 31 1.763 5.747 4.202 1.00 52.23 H new ATOM 0 HA LEU A 31 1.723 3.059 3.495 1.00 63.23 H new ATOM 0 HB2 LEU A 31 3.444 4.900 3.007 1.00 43.41 H new ATOM 0 HB3 LEU A 31 4.096 4.590 4.604 1.00 43.41 H new ATOM 0 HG LEU A 31 4.420 2.174 3.904 1.00 14.42 H new ATOM 0 HD11 LEU A 31 4.482 1.716 1.489 1.00 13.21 H new ATOM 0 HD12 LEU A 31 2.844 2.143 2.039 1.00 13.21 H new ATOM 0 HD13 LEU A 31 3.831 3.340 1.167 1.00 13.21 H new ATOM 0 HD21 LEU A 31 6.464 2.652 2.629 1.00 71.41 H new ATOM 0 HD22 LEU A 31 5.900 4.317 2.355 1.00 71.41 H new ATOM 0 HD23 LEU A 31 6.267 3.763 4.006 1.00 71.41 H new ATOM 459 N ALA A 32 2.500 3.645 6.638 1.00 33.42 N ATOM 460 CA ALA A 32 2.631 3.039 7.964 1.00 70.01 C ATOM 461 C ALA A 32 1.431 2.158 8.286 1.00 2.23 C ATOM 462 O ALA A 32 1.557 1.143 8.970 1.00 41.24 O ATOM 463 CB ALA A 32 2.794 4.118 9.023 1.00 1.25 C ATOM 0 H ALA A 32 2.549 4.664 6.638 1.00 33.42 H new ATOM 0 HA ALA A 32 3.521 2.409 7.962 1.00 70.01 H new ATOM 0 HB1 ALA A 32 2.890 3.653 10.004 1.00 1.25 H new ATOM 0 HB2 ALA A 32 3.688 4.705 8.810 1.00 1.25 H new ATOM 0 HB3 ALA A 32 1.921 4.771 9.015 1.00 1.25 H new ATOM 469 N LYS A 33 0.268 2.551 7.790 1.00 11.51 N ATOM 470 CA LYS A 33 -0.947 1.792 7.995 1.00 32.55 C ATOM 471 C LYS A 33 -0.985 0.555 7.099 1.00 12.41 C ATOM 472 O LYS A 33 -1.575 -0.464 7.462 1.00 51.52 O ATOM 473 CB LYS A 33 -2.159 2.695 7.770 1.00 62.14 C ATOM 474 CG LYS A 33 -2.449 3.600 8.958 1.00 53.12 C ATOM 475 CD LYS A 33 -2.771 2.786 10.205 1.00 42.05 C ATOM 476 CE LYS A 33 -2.721 3.636 11.466 1.00 0.02 C ATOM 477 NZ LYS A 33 -3.000 2.830 12.685 1.00 34.25 N ATOM 0 H LYS A 33 0.144 3.400 7.238 1.00 11.51 H new ATOM 0 HA LYS A 33 -0.972 1.433 9.024 1.00 32.55 H new ATOM 0 HB2 LYS A 33 -1.990 3.308 6.885 1.00 62.14 H new ATOM 0 HB3 LYS A 33 -3.034 2.077 7.568 1.00 62.14 H new ATOM 0 HG2 LYS A 33 -1.587 4.239 9.150 1.00 53.12 H new ATOM 0 HG3 LYS A 33 -3.287 4.256 8.723 1.00 53.12 H new ATOM 0 HD2 LYS A 33 -3.762 2.344 10.104 1.00 42.05 H new ATOM 0 HD3 LYS A 33 -2.062 1.962 10.294 1.00 42.05 H new ATOM 0 HE2 LYS A 33 -1.738 4.100 11.553 1.00 0.02 H new ATOM 0 HE3 LYS A 33 -3.449 4.444 11.389 1.00 0.02 H new ATOM 0 HZ1 LYS A 33 -3.108 3.463 13.503 1.00 34.25 H new ATOM 0 HZ2 LYS A 33 -3.877 2.287 12.549 1.00 34.25 H new ATOM 0 HZ3 LYS A 33 -2.210 2.175 12.856 1.00 34.25 H new ATOM 491 N TYR A 34 -0.338 0.638 5.942 1.00 41.51 N ATOM 492 CA TYR A 34 -0.189 -0.525 5.072 1.00 65.41 C ATOM 493 C TYR A 34 0.800 -1.509 5.684 1.00 74.43 C ATOM 494 O TYR A 34 0.578 -2.718 5.667 1.00 4.53 O ATOM 495 CB TYR A 34 0.276 -0.117 3.670 1.00 61.01 C ATOM 496 CG TYR A 34 -0.784 0.577 2.849 1.00 72.04 C ATOM 497 CD1 TYR A 34 -1.838 -0.136 2.295 1.00 4.51 C ATOM 498 CD2 TYR A 34 -0.723 1.943 2.613 1.00 75.02 C ATOM 499 CE1 TYR A 34 -2.802 0.493 1.531 1.00 42.24 C ATOM 500 CE2 TYR A 34 -1.685 2.581 1.852 1.00 11.21 C ATOM 501 CZ TYR A 34 -2.722 1.850 1.313 1.00 11.52 C ATOM 502 OH TYR A 34 -3.679 2.477 0.551 1.00 33.32 O ATOM 0 H TYR A 34 0.090 1.493 5.585 1.00 41.51 H new ATOM 0 HA TYR A 34 -1.164 -1.003 4.977 1.00 65.41 H new ATOM 0 HB2 TYR A 34 1.139 0.542 3.762 1.00 61.01 H new ATOM 0 HB3 TYR A 34 0.610 -1.007 3.136 1.00 61.01 H new ATOM 0 HD1 TYR A 34 -1.906 -1.201 2.464 1.00 4.51 H new ATOM 0 HD2 TYR A 34 0.090 2.518 3.031 1.00 75.02 H new ATOM 0 HE1 TYR A 34 -3.615 -0.077 1.107 1.00 42.24 H new ATOM 0 HE2 TYR A 34 -1.624 3.646 1.681 1.00 11.21 H new ATOM 0 HH TYR A 34 -3.477 3.434 0.495 1.00 33.32 H new ATOM 512 N ILE A 35 1.889 -0.980 6.234 1.00 2.42 N ATOM 513 CA ILE A 35 2.870 -1.800 6.937 1.00 25.13 C ATOM 514 C ILE A 35 2.218 -2.476 8.141 1.00 3.03 C ATOM 515 O ILE A 35 2.492 -3.636 8.455 1.00 0.12 O ATOM 516 CB ILE A 35 4.079 -0.958 7.409 1.00 21.21 C ATOM 517 CG1 ILE A 35 4.729 -0.249 6.216 1.00 30.31 C ATOM 518 CG2 ILE A 35 5.094 -1.838 8.125 1.00 73.33 C ATOM 519 CD1 ILE A 35 5.872 0.669 6.595 1.00 43.05 C ATOM 0 H ILE A 35 2.114 0.014 6.206 1.00 2.42 H new ATOM 0 HA ILE A 35 3.232 -2.556 6.240 1.00 25.13 H new ATOM 0 HB ILE A 35 3.725 -0.203 8.111 1.00 21.21 H new ATOM 0 HG12 ILE A 35 5.096 -1.000 5.516 1.00 30.31 H new ATOM 0 HG13 ILE A 35 3.969 0.331 5.692 1.00 30.31 H new ATOM 0 HG21 ILE A 35 5.938 -1.229 8.450 1.00 73.33 H new ATOM 0 HG22 ILE A 35 4.625 -2.302 8.993 1.00 73.33 H new ATOM 0 HG23 ILE A 35 5.447 -2.614 7.445 1.00 73.33 H new ATOM 0 HD11 ILE A 35 6.279 1.133 5.697 1.00 43.05 H new ATOM 0 HD12 ILE A 35 5.508 1.443 7.270 1.00 43.05 H new ATOM 0 HD13 ILE A 35 6.653 0.092 7.091 1.00 43.05 H new ATOM 531 N GLU A 36 1.333 -1.736 8.795 1.00 31.51 N ATOM 532 CA GLU A 36 0.581 -2.223 9.922 1.00 71.15 C ATOM 533 C GLU A 36 -0.302 -3.396 9.510 1.00 13.14 C ATOM 534 O GLU A 36 -0.338 -4.428 10.186 1.00 14.32 O ATOM 535 CB GLU A 36 -0.254 -1.069 10.471 1.00 74.44 C ATOM 536 CG GLU A 36 -0.983 -1.392 11.747 1.00 14.23 C ATOM 537 CD GLU A 36 -1.840 -0.240 12.228 1.00 41.45 C ATOM 538 OE1 GLU A 36 -1.315 0.654 12.925 1.00 43.33 O ATOM 539 OE2 GLU A 36 -3.040 -0.207 11.893 1.00 24.23 O ATOM 0 H GLU A 36 1.121 -0.769 8.547 1.00 31.51 H new ATOM 0 HA GLU A 36 1.256 -2.586 10.697 1.00 71.15 H new ATOM 0 HB2 GLU A 36 0.398 -0.213 10.644 1.00 74.44 H new ATOM 0 HB3 GLU A 36 -0.980 -0.769 9.716 1.00 74.44 H new ATOM 0 HG2 GLU A 36 -1.611 -2.269 11.592 1.00 14.23 H new ATOM 0 HG3 GLU A 36 -0.260 -1.651 12.520 1.00 14.23 H new ATOM 546 N LEU A 37 -0.996 -3.232 8.392 1.00 1.40 N ATOM 547 CA LEU A 37 -1.825 -4.287 7.835 1.00 11.32 C ATOM 548 C LEU A 37 -0.953 -5.479 7.441 1.00 40.50 C ATOM 549 O LEU A 37 -1.333 -6.634 7.628 1.00 72.12 O ATOM 550 CB LEU A 37 -2.583 -3.756 6.612 1.00 42.52 C ATOM 551 CG LEU A 37 -4.006 -4.293 6.428 1.00 74.34 C ATOM 552 CD1 LEU A 37 -4.692 -3.585 5.272 1.00 72.30 C ATOM 553 CD2 LEU A 37 -4.002 -5.797 6.192 1.00 71.34 C ATOM 0 H LEU A 37 -0.999 -2.368 7.850 1.00 1.40 H new ATOM 0 HA LEU A 37 -2.546 -4.613 8.584 1.00 11.32 H new ATOM 0 HB2 LEU A 37 -2.631 -2.669 6.681 1.00 42.52 H new ATOM 0 HB3 LEU A 37 -2.006 -3.994 5.718 1.00 42.52 H new ATOM 0 HG LEU A 37 -4.560 -4.095 7.346 1.00 74.34 H new ATOM 0 HD11 LEU A 37 -5.702 -3.977 5.153 1.00 72.30 H new ATOM 0 HD12 LEU A 37 -4.740 -2.516 5.477 1.00 72.30 H new ATOM 0 HD13 LEU A 37 -4.127 -3.754 4.355 1.00 72.30 H new ATOM 0 HD21 LEU A 37 -5.026 -6.148 6.065 1.00 71.34 H new ATOM 0 HD22 LEU A 37 -3.427 -6.023 5.294 1.00 71.34 H new ATOM 0 HD23 LEU A 37 -3.550 -6.298 7.048 1.00 71.34 H new ATOM 565 N ALA A 38 0.236 -5.183 6.933 1.00 30.22 N ATOM 566 CA ALA A 38 1.148 -6.219 6.462 1.00 70.02 C ATOM 567 C ALA A 38 1.610 -7.098 7.615 1.00 41.42 C ATOM 568 O ALA A 38 1.596 -8.324 7.514 1.00 40.11 O ATOM 569 CB ALA A 38 2.340 -5.595 5.755 1.00 2.05 C ATOM 0 H ALA A 38 0.593 -4.232 6.836 1.00 30.22 H new ATOM 0 HA ALA A 38 0.613 -6.847 5.750 1.00 70.02 H new ATOM 0 HB1 ALA A 38 3.011 -6.382 5.410 1.00 2.05 H new ATOM 0 HB2 ALA A 38 1.993 -5.013 4.901 1.00 2.05 H new ATOM 0 HB3 ALA A 38 2.872 -4.942 6.447 1.00 2.05 H new ATOM 575 N LYS A 39 1.992 -6.467 8.716 1.00 11.53 N ATOM 576 CA LYS A 39 2.430 -7.182 9.907 1.00 52.34 C ATOM 577 C LYS A 39 1.288 -7.986 10.518 1.00 15.31 C ATOM 578 O LYS A 39 1.515 -8.972 11.219 1.00 23.02 O ATOM 579 CB LYS A 39 2.985 -6.197 10.931 1.00 33.40 C ATOM 580 CG LYS A 39 4.333 -5.619 10.540 1.00 61.13 C ATOM 581 CD LYS A 39 4.745 -4.484 11.460 1.00 34.35 C ATOM 582 CE LYS A 39 6.176 -4.049 11.193 1.00 73.42 C ATOM 583 NZ LYS A 39 7.166 -5.035 11.703 1.00 15.32 N ATOM 0 H LYS A 39 2.007 -5.451 8.809 1.00 11.53 H new ATOM 0 HA LYS A 39 3.215 -7.879 9.616 1.00 52.34 H new ATOM 0 HB2 LYS A 39 2.273 -5.382 11.064 1.00 33.40 H new ATOM 0 HB3 LYS A 39 3.078 -6.699 11.894 1.00 33.40 H new ATOM 0 HG2 LYS A 39 5.088 -6.404 10.570 1.00 61.13 H new ATOM 0 HG3 LYS A 39 4.290 -5.257 9.513 1.00 61.13 H new ATOM 0 HD2 LYS A 39 4.073 -3.637 11.320 1.00 34.35 H new ATOM 0 HD3 LYS A 39 4.647 -4.801 12.498 1.00 34.35 H new ATOM 0 HE2 LYS A 39 6.319 -3.914 10.121 1.00 73.42 H new ATOM 0 HE3 LYS A 39 6.354 -3.082 11.663 1.00 73.42 H new ATOM 0 HZ1 LYS A 39 8.121 -4.625 11.654 1.00 15.32 H new ATOM 0 HZ2 LYS A 39 6.942 -5.273 12.690 1.00 15.32 H new ATOM 0 HZ3 LYS A 39 7.129 -5.897 11.122 1.00 15.32 H new ATOM 597 N SER A 40 0.061 -7.562 10.245 1.00 51.35 N ATOM 598 CA SER A 40 -1.120 -8.258 10.736 1.00 52.52 C ATOM 599 C SER A 40 -1.338 -9.554 9.950 1.00 12.34 C ATOM 600 O SER A 40 -1.880 -10.530 10.473 1.00 3.00 O ATOM 601 CB SER A 40 -2.349 -7.345 10.622 1.00 54.41 C ATOM 602 OG SER A 40 -3.511 -7.958 11.156 1.00 44.15 O ATOM 0 H SER A 40 -0.142 -6.735 9.683 1.00 51.35 H new ATOM 0 HA SER A 40 -0.971 -8.515 11.785 1.00 52.52 H new ATOM 0 HB2 SER A 40 -2.157 -6.410 11.148 1.00 54.41 H new ATOM 0 HB3 SER A 40 -2.519 -7.093 9.575 1.00 54.41 H new ATOM 0 HG SER A 40 -4.273 -7.348 11.068 1.00 44.15 H new ATOM 608 N VAL A 41 -0.908 -9.556 8.694 1.00 42.01 N ATOM 609 CA VAL A 41 -1.031 -10.733 7.845 1.00 14.32 C ATOM 610 C VAL A 41 0.216 -11.607 7.960 1.00 53.13 C ATOM 611 O VAL A 41 0.127 -12.827 8.116 1.00 14.32 O ATOM 612 CB VAL A 41 -1.250 -10.345 6.362 1.00 63.21 C ATOM 613 CG1 VAL A 41 -1.390 -11.584 5.490 1.00 13.45 C ATOM 614 CG2 VAL A 41 -2.471 -9.449 6.217 1.00 52.32 C ATOM 0 H VAL A 41 -0.470 -8.754 8.241 1.00 42.01 H new ATOM 0 HA VAL A 41 -1.902 -11.291 8.188 1.00 14.32 H new ATOM 0 HB VAL A 41 -0.374 -9.791 6.025 1.00 63.21 H new ATOM 0 HG11 VAL A 41 -1.543 -11.284 4.453 1.00 13.45 H new ATOM 0 HG12 VAL A 41 -0.484 -12.185 5.564 1.00 13.45 H new ATOM 0 HG13 VAL A 41 -2.244 -12.172 5.827 1.00 13.45 H new ATOM 0 HG21 VAL A 41 -2.608 -9.187 5.168 1.00 52.32 H new ATOM 0 HG22 VAL A 41 -3.354 -9.976 6.578 1.00 52.32 H new ATOM 0 HG23 VAL A 41 -2.327 -8.540 6.802 1.00 52.32 H new ATOM 624 N CYS A 42 1.376 -10.973 7.905 1.00 75.13 N ATOM 625 CA CYS A 42 2.635 -11.688 7.941 1.00 70.42 C ATOM 626 C CYS A 42 3.695 -10.856 8.652 1.00 3.33 C ATOM 627 O CYS A 42 4.148 -9.837 8.135 1.00 70.33 O ATOM 628 CB CYS A 42 3.083 -12.018 6.517 1.00 51.32 C ATOM 629 SG CYS A 42 4.485 -13.153 6.412 1.00 53.11 S ATOM 0 H CYS A 42 1.469 -9.960 7.835 1.00 75.13 H new ATOM 0 HA CYS A 42 2.500 -12.618 8.494 1.00 70.42 H new ATOM 0 HB2 CYS A 42 2.241 -12.451 5.977 1.00 51.32 H new ATOM 0 HB3 CYS A 42 3.345 -11.090 6.009 1.00 51.32 H new ATOM 0 HG CYS A 42 5.046 -13.043 5.244 1.00 53.11 H new ATOM 635 N ALA A 43 4.074 -11.283 9.849 1.00 54.13 N ATOM 636 CA ALA A 43 5.119 -10.606 10.608 1.00 54.01 C ATOM 637 C ALA A 43 6.463 -10.705 9.890 1.00 63.22 C ATOM 638 O ALA A 43 7.309 -9.816 10.004 1.00 10.05 O ATOM 639 CB ALA A 43 5.219 -11.193 12.007 1.00 64.44 C ATOM 0 H ALA A 43 3.673 -12.096 10.317 1.00 54.13 H new ATOM 0 HA ALA A 43 4.855 -9.552 10.689 1.00 54.01 H new ATOM 0 HB1 ALA A 43 6.003 -10.678 12.562 1.00 64.44 H new ATOM 0 HB2 ALA A 43 4.267 -11.068 12.523 1.00 64.44 H new ATOM 0 HB3 ALA A 43 5.459 -12.254 11.940 1.00 64.44 H new ATOM 645 N GLY A 44 6.637 -11.780 9.127 1.00 41.24 N ATOM 646 CA GLY A 44 7.877 -11.999 8.405 1.00 52.13 C ATOM 647 C GLY A 44 7.864 -11.372 7.025 1.00 40.51 C ATOM 648 O GLY A 44 8.584 -11.814 6.124 1.00 33.22 O ATOM 0 H GLY A 44 5.935 -12.508 8.996 1.00 41.24 H new ATOM 0 HA2 GLY A 44 8.706 -11.587 8.980 1.00 52.13 H new ATOM 0 HA3 GLY A 44 8.055 -13.070 8.312 1.00 52.13 H new ATOM 652 N VAL A 45 7.037 -10.352 6.849 1.00 13.53 N ATOM 653 CA VAL A 45 6.972 -9.633 5.588 1.00 14.30 C ATOM 654 C VAL A 45 8.246 -8.808 5.373 1.00 65.31 C ATOM 655 O VAL A 45 8.779 -8.212 6.314 1.00 54.01 O ATOM 656 CB VAL A 45 5.729 -8.708 5.531 1.00 0.02 C ATOM 657 CG1 VAL A 45 5.792 -7.626 6.602 1.00 45.13 C ATOM 658 CG2 VAL A 45 5.570 -8.086 4.151 1.00 42.20 C ATOM 0 H VAL A 45 6.401 -10.004 7.566 1.00 13.53 H new ATOM 0 HA VAL A 45 6.886 -10.371 4.791 1.00 14.30 H new ATOM 0 HB VAL A 45 4.854 -9.327 5.729 1.00 0.02 H new ATOM 0 HG11 VAL A 45 4.906 -6.995 6.534 1.00 45.13 H new ATOM 0 HG12 VAL A 45 5.832 -8.091 7.587 1.00 45.13 H new ATOM 0 HG13 VAL A 45 6.683 -7.017 6.452 1.00 45.13 H new ATOM 0 HG21 VAL A 45 4.690 -7.443 4.141 1.00 42.20 H new ATOM 0 HG22 VAL A 45 6.455 -7.495 3.914 1.00 42.20 H new ATOM 0 HG23 VAL A 45 5.451 -8.875 3.408 1.00 42.20 H new ATOM 668 N GLU A 46 8.749 -8.813 4.147 1.00 11.54 N ATOM 669 CA GLU A 46 9.889 -7.983 3.778 1.00 53.35 C ATOM 670 C GLU A 46 9.437 -6.946 2.763 1.00 42.20 C ATOM 671 O GLU A 46 8.736 -7.275 1.810 1.00 71.43 O ATOM 672 CB GLU A 46 11.023 -8.829 3.195 1.00 14.32 C ATOM 673 CG GLU A 46 11.636 -9.795 4.193 1.00 55.02 C ATOM 674 CD GLU A 46 12.759 -10.621 3.599 1.00 1.43 C ATOM 675 OE1 GLU A 46 13.829 -10.050 3.291 1.00 24.42 O ATOM 676 OE2 GLU A 46 12.587 -11.847 3.452 1.00 32.22 O ATOM 0 H GLU A 46 8.384 -9.386 3.386 1.00 11.54 H new ATOM 0 HA GLU A 46 10.269 -7.489 4.672 1.00 53.35 H new ATOM 0 HB2 GLU A 46 10.643 -9.393 2.343 1.00 14.32 H new ATOM 0 HB3 GLU A 46 11.802 -8.167 2.818 1.00 14.32 H new ATOM 0 HG2 GLU A 46 12.016 -9.235 5.047 1.00 55.02 H new ATOM 0 HG3 GLU A 46 10.860 -10.462 4.569 1.00 55.02 H new ATOM 683 N TYR A 47 9.825 -5.700 2.960 1.00 11.33 N ATOM 684 CA TYR A 47 9.334 -4.632 2.108 1.00 51.14 C ATOM 685 C TYR A 47 10.411 -3.614 1.783 1.00 3.23 C ATOM 686 O TYR A 47 11.328 -3.384 2.572 1.00 53.32 O ATOM 687 CB TYR A 47 8.131 -3.937 2.754 1.00 31.35 C ATOM 688 CG TYR A 47 8.340 -3.525 4.200 1.00 10.30 C ATOM 689 CD1 TYR A 47 8.880 -2.286 4.524 1.00 41.24 C ATOM 690 CD2 TYR A 47 7.982 -4.375 5.241 1.00 12.00 C ATOM 691 CE1 TYR A 47 9.064 -1.908 5.842 1.00 61.41 C ATOM 692 CE2 TYR A 47 8.164 -4.004 6.561 1.00 44.32 C ATOM 693 CZ TYR A 47 8.704 -2.770 6.856 1.00 23.13 C ATOM 694 OH TYR A 47 8.882 -2.396 8.171 1.00 54.21 O ATOM 0 H TYR A 47 10.470 -5.404 3.692 1.00 11.33 H new ATOM 0 HA TYR A 47 9.023 -5.091 1.170 1.00 51.14 H new ATOM 0 HB2 TYR A 47 7.883 -3.051 2.170 1.00 31.35 H new ATOM 0 HB3 TYR A 47 7.271 -4.604 2.701 1.00 31.35 H new ATOM 0 HD1 TYR A 47 9.161 -1.606 3.733 1.00 41.24 H new ATOM 0 HD2 TYR A 47 7.555 -5.341 5.015 1.00 12.00 H new ATOM 0 HE1 TYR A 47 9.488 -0.942 6.075 1.00 61.41 H new ATOM 0 HE2 TYR A 47 7.884 -4.678 7.357 1.00 44.32 H new ATOM 0 HH TYR A 47 8.576 -3.117 8.760 1.00 54.21 H new ATOM 704 N ASN A 48 10.295 -3.026 0.601 1.00 30.42 N ATOM 705 CA ASN A 48 11.154 -1.922 0.190 1.00 12.35 C ATOM 706 C ASN A 48 10.291 -0.739 -0.194 1.00 74.40 C ATOM 707 O ASN A 48 9.083 -0.879 -0.380 1.00 64.43 O ATOM 708 CB ASN A 48 12.036 -2.273 -1.010 1.00 32.54 C ATOM 709 CG ASN A 48 13.015 -3.405 -0.759 1.00 14.52 C ATOM 710 OD1 ASN A 48 13.342 -4.151 -1.676 1.00 75.53 O ATOM 711 ND2 ASN A 48 13.499 -3.537 0.466 1.00 0.13 N ATOM 0 H ASN A 48 9.605 -3.299 -0.099 1.00 30.42 H new ATOM 0 HA ASN A 48 11.805 -1.693 1.034 1.00 12.35 H new ATOM 0 HB2 ASN A 48 11.395 -2.542 -1.850 1.00 32.54 H new ATOM 0 HB3 ASN A 48 12.594 -1.385 -1.307 1.00 32.54 H new ATOM 0 HD21 ASN A 48 14.168 -4.279 0.673 1.00 0.13 H new ATOM 0 HD22 ASN A 48 13.203 -2.897 1.203 1.00 0.13 H new ATOM 718 N VAL A 49 10.922 0.409 -0.335 1.00 4.31 N ATOM 719 CA VAL A 49 10.231 1.638 -0.695 1.00 25.00 C ATOM 720 C VAL A 49 11.070 2.406 -1.713 1.00 73.52 C ATOM 721 O VAL A 49 12.292 2.249 -1.751 1.00 34.32 O ATOM 722 CB VAL A 49 9.979 2.544 0.543 1.00 60.54 C ATOM 723 CG1 VAL A 49 9.089 3.726 0.184 1.00 12.55 C ATOM 724 CG2 VAL A 49 9.368 1.753 1.690 1.00 53.24 C ATOM 0 H VAL A 49 11.927 0.520 -0.204 1.00 4.31 H new ATOM 0 HA VAL A 49 9.263 1.367 -1.118 1.00 25.00 H new ATOM 0 HB VAL A 49 10.946 2.927 0.869 1.00 60.54 H new ATOM 0 HG11 VAL A 49 8.929 4.343 1.068 1.00 12.55 H new ATOM 0 HG12 VAL A 49 9.570 4.322 -0.592 1.00 12.55 H new ATOM 0 HG13 VAL A 49 8.129 3.361 -0.182 1.00 12.55 H new ATOM 0 HG21 VAL A 49 9.204 2.414 2.541 1.00 53.24 H new ATOM 0 HG22 VAL A 49 8.416 1.327 1.372 1.00 53.24 H new ATOM 0 HG23 VAL A 49 10.046 0.950 1.980 1.00 53.24 H new ATOM 734 N SER A 50 10.419 3.210 -2.542 1.00 34.04 N ATOM 735 CA SER A 50 11.118 4.067 -3.489 1.00 34.40 C ATOM 736 C SER A 50 11.985 5.086 -2.747 1.00 42.22 C ATOM 737 O SER A 50 11.946 5.171 -1.515 1.00 41.22 O ATOM 738 CB SER A 50 10.101 4.788 -4.374 1.00 44.11 C ATOM 739 OG SER A 50 9.161 3.872 -4.916 1.00 65.11 O ATOM 0 H SER A 50 9.403 3.287 -2.578 1.00 34.04 H new ATOM 0 HA SER A 50 11.766 3.452 -4.113 1.00 34.40 H new ATOM 0 HB2 SER A 50 9.580 5.548 -3.791 1.00 44.11 H new ATOM 0 HB3 SER A 50 10.618 5.305 -5.182 1.00 44.11 H new ATOM 0 HG SER A 50 8.732 4.270 -5.702 1.00 65.11 H new ATOM 745 N GLU A 51 12.758 5.861 -3.493 1.00 25.51 N ATOM 746 CA GLU A 51 13.628 6.860 -2.895 1.00 2.11 C ATOM 747 C GLU A 51 12.799 7.963 -2.250 1.00 53.43 C ATOM 748 O GLU A 51 12.024 8.658 -2.907 1.00 54.33 O ATOM 749 CB GLU A 51 14.600 7.447 -3.921 1.00 25.53 C ATOM 750 CG GLU A 51 13.931 8.001 -5.165 1.00 74.43 C ATOM 751 CD GLU A 51 13.767 6.962 -6.261 1.00 23.51 C ATOM 752 OE1 GLU A 51 12.909 6.068 -6.119 1.00 4.31 O ATOM 753 OE2 GLU A 51 14.508 7.026 -7.263 1.00 30.34 O ATOM 0 H GLU A 51 12.800 5.817 -4.511 1.00 25.51 H new ATOM 0 HA GLU A 51 14.222 6.368 -2.125 1.00 2.11 H new ATOM 0 HB2 GLU A 51 15.175 8.242 -3.447 1.00 25.53 H new ATOM 0 HB3 GLU A 51 15.309 6.674 -4.217 1.00 25.53 H new ATOM 0 HG2 GLU A 51 12.952 8.398 -4.898 1.00 74.43 H new ATOM 0 HG3 GLU A 51 14.520 8.835 -5.547 1.00 74.43 H new ATOM 760 N LEU A 52 12.962 8.101 -0.955 1.00 64.12 N ATOM 761 CA LEU A 52 12.184 9.042 -0.184 1.00 4.42 C ATOM 762 C LEU A 52 12.923 10.364 -0.053 1.00 43.12 C ATOM 763 O LEU A 52 14.023 10.421 0.496 1.00 40.03 O ATOM 764 CB LEU A 52 11.879 8.459 1.194 1.00 52.40 C ATOM 765 CG LEU A 52 11.003 7.202 1.189 1.00 71.42 C ATOM 766 CD1 LEU A 52 10.805 6.683 2.604 1.00 42.13 C ATOM 767 CD2 LEU A 52 9.659 7.489 0.533 1.00 73.05 C ATOM 0 H LEU A 52 13.636 7.566 -0.407 1.00 64.12 H new ATOM 0 HA LEU A 52 11.243 9.229 -0.702 1.00 4.42 H new ATOM 0 HB2 LEU A 52 12.821 8.224 1.689 1.00 52.40 H new ATOM 0 HB3 LEU A 52 11.386 9.224 1.794 1.00 52.40 H new ATOM 0 HG LEU A 52 11.512 6.432 0.609 1.00 71.42 H new ATOM 0 HD11 LEU A 52 10.180 5.790 2.580 1.00 42.13 H new ATOM 0 HD12 LEU A 52 11.773 6.437 3.040 1.00 42.13 H new ATOM 0 HD13 LEU A 52 10.319 7.449 3.208 1.00 42.13 H new ATOM 0 HD21 LEU A 52 9.051 6.584 0.539 1.00 73.05 H new ATOM 0 HD22 LEU A 52 9.145 8.275 1.086 1.00 73.05 H new ATOM 0 HD23 LEU A 52 9.818 7.813 -0.496 1.00 73.05 H new ATOM 779 N THR A 53 12.312 11.416 -0.568 1.00 40.52 N ATOM 780 CA THR A 53 12.893 12.749 -0.526 1.00 12.44 C ATOM 781 C THR A 53 11.813 13.777 -0.209 1.00 65.13 C ATOM 782 O THR A 53 10.686 13.416 0.139 1.00 70.40 O ATOM 783 CB THR A 53 13.555 13.112 -1.872 1.00 71.15 C ATOM 784 OG1 THR A 53 12.629 12.896 -2.944 1.00 2.04 O ATOM 785 CG2 THR A 53 14.816 12.293 -2.115 1.00 61.53 C ATOM 0 H THR A 53 11.402 11.372 -1.026 1.00 40.52 H new ATOM 0 HA THR A 53 13.656 12.757 0.253 1.00 12.44 H new ATOM 0 HB THR A 53 13.837 14.164 -1.832 1.00 71.15 H new ATOM 0 HG1 THR A 53 13.054 13.130 -3.796 1.00 2.04 H new ATOM 0 HG21 THR A 53 15.255 12.576 -3.072 1.00 61.53 H new ATOM 0 HG22 THR A 53 15.533 12.484 -1.317 1.00 61.53 H new ATOM 0 HG23 THR A 53 14.564 11.233 -2.131 1.00 61.53 H new ATOM 793 N GLU A 54 12.150 15.052 -0.326 1.00 74.12 N ATOM 794 CA GLU A 54 11.166 16.107 -0.178 1.00 0.40 C ATOM 795 C GLU A 54 10.297 16.191 -1.427 1.00 2.35 C ATOM 796 O GLU A 54 9.172 16.680 -1.380 1.00 4.31 O ATOM 797 CB GLU A 54 11.850 17.453 0.071 1.00 14.34 C ATOM 798 CG GLU A 54 12.251 17.701 1.520 1.00 53.44 C ATOM 799 CD GLU A 54 13.324 16.754 2.017 1.00 43.25 C ATOM 800 OE1 GLU A 54 14.498 16.928 1.625 1.00 42.13 O ATOM 801 OE2 GLU A 54 13.006 15.858 2.823 1.00 51.34 O ATOM 0 H GLU A 54 13.096 15.378 -0.523 1.00 74.12 H new ATOM 0 HA GLU A 54 10.537 15.872 0.681 1.00 0.40 H new ATOM 0 HB2 GLU A 54 12.741 17.515 -0.555 1.00 14.34 H new ATOM 0 HB3 GLU A 54 11.180 18.251 -0.249 1.00 14.34 H new ATOM 0 HG2 GLU A 54 12.607 18.726 1.621 1.00 53.44 H new ATOM 0 HG3 GLU A 54 11.370 17.606 2.155 1.00 53.44 H new ATOM 808 N GLU A 55 10.816 15.686 -2.543 1.00 65.33 N ATOM 809 CA GLU A 55 10.121 15.792 -3.816 1.00 43.10 C ATOM 810 C GLU A 55 9.450 14.488 -4.229 1.00 22.30 C ATOM 811 O GLU A 55 9.016 14.348 -5.372 1.00 42.10 O ATOM 812 CB GLU A 55 11.073 16.257 -4.913 1.00 43.35 C ATOM 813 CG GLU A 55 11.188 17.766 -5.001 1.00 72.32 C ATOM 814 CD GLU A 55 9.833 18.428 -5.165 1.00 12.14 C ATOM 815 OE1 GLU A 55 9.093 18.055 -6.099 1.00 44.11 O ATOM 816 OE2 GLU A 55 9.491 19.308 -4.349 1.00 42.31 O ATOM 0 H GLU A 55 11.712 15.202 -2.589 1.00 65.33 H new ATOM 0 HA GLU A 55 9.334 16.534 -3.679 1.00 43.10 H new ATOM 0 HB2 GLU A 55 12.061 15.833 -4.732 1.00 43.35 H new ATOM 0 HB3 GLU A 55 10.730 15.868 -5.872 1.00 43.35 H new ATOM 0 HG2 GLU A 55 11.671 18.146 -4.101 1.00 72.32 H new ATOM 0 HG3 GLU A 55 11.827 18.033 -5.843 1.00 72.32 H new ATOM 823 N SER A 56 9.352 13.540 -3.315 1.00 63.32 N ATOM 824 CA SER A 56 8.601 12.333 -3.591 1.00 44.15 C ATOM 825 C SER A 56 7.146 12.514 -3.187 1.00 23.22 C ATOM 826 O SER A 56 6.797 12.408 -2.013 1.00 4.41 O ATOM 827 CB SER A 56 9.219 11.129 -2.880 1.00 34.24 C ATOM 828 OG SER A 56 9.653 11.470 -1.573 1.00 45.14 O ATOM 0 H SER A 56 9.777 13.582 -2.389 1.00 63.32 H new ATOM 0 HA SER A 56 8.640 12.141 -4.663 1.00 44.15 H new ATOM 0 HB2 SER A 56 8.488 10.322 -2.824 1.00 34.24 H new ATOM 0 HB3 SER A 56 10.063 10.755 -3.460 1.00 34.24 H new ATOM 0 HG SER A 56 8.932 11.936 -1.100 1.00 45.14 H new ATOM 834 N LYS A 57 6.312 12.826 -4.169 1.00 51.34 N ATOM 835 CA LYS A 57 4.874 12.930 -3.958 1.00 13.40 C ATOM 836 C LYS A 57 4.240 11.595 -4.315 1.00 63.34 C ATOM 837 O LYS A 57 3.019 11.426 -4.283 1.00 34.44 O ATOM 838 CB LYS A 57 4.262 14.054 -4.811 1.00 70.52 C ATOM 839 CG LYS A 57 4.694 15.463 -4.409 1.00 12.15 C ATOM 840 CD LYS A 57 6.098 15.801 -4.893 1.00 33.34 C ATOM 841 CE LYS A 57 6.175 15.832 -6.412 1.00 32.15 C ATOM 842 NZ LYS A 57 7.567 16.034 -6.896 1.00 1.44 N ATOM 0 H LYS A 57 6.609 13.013 -5.127 1.00 51.34 H new ATOM 0 HA LYS A 57 4.682 13.174 -2.913 1.00 13.40 H new ATOM 0 HB2 LYS A 57 4.532 13.889 -5.854 1.00 70.52 H new ATOM 0 HB3 LYS A 57 3.176 13.989 -4.749 1.00 70.52 H new ATOM 0 HG2 LYS A 57 3.988 16.187 -4.817 1.00 12.15 H new ATOM 0 HG3 LYS A 57 4.655 15.556 -3.324 1.00 12.15 H new ATOM 0 HD2 LYS A 57 6.398 16.770 -4.493 1.00 33.34 H new ATOM 0 HD3 LYS A 57 6.803 15.065 -4.507 1.00 33.34 H new ATOM 0 HE2 LYS A 57 5.784 14.897 -6.814 1.00 32.15 H new ATOM 0 HE3 LYS A 57 5.540 16.633 -6.791 1.00 32.15 H new ATOM 0 HZ1 LYS A 57 7.596 15.914 -7.929 1.00 1.44 H new ATOM 0 HZ2 LYS A 57 7.884 16.993 -6.650 1.00 1.44 H new ATOM 0 HZ3 LYS A 57 8.195 15.336 -6.448 1.00 1.44 H new ATOM 856 N GLU A 58 5.104 10.649 -4.651 1.00 5.33 N ATOM 857 CA GLU A 58 4.698 9.317 -5.041 1.00 42.22 C ATOM 858 C GLU A 58 5.730 8.322 -4.544 1.00 73.25 C ATOM 859 O GLU A 58 6.929 8.593 -4.591 1.00 20.23 O ATOM 860 CB GLU A 58 4.586 9.227 -6.567 1.00 4.34 C ATOM 861 CG GLU A 58 4.276 7.835 -7.094 1.00 32.42 C ATOM 862 CD GLU A 58 4.696 7.655 -8.540 1.00 24.32 C ATOM 863 OE1 GLU A 58 4.154 8.358 -9.420 1.00 4.23 O ATOM 864 OE2 GLU A 58 5.592 6.826 -8.803 1.00 1.04 O ATOM 0 H GLU A 58 6.114 10.790 -4.659 1.00 5.33 H new ATOM 0 HA GLU A 58 3.725 9.091 -4.605 1.00 42.22 H new ATOM 0 HB2 GLU A 58 3.807 9.911 -6.903 1.00 4.34 H new ATOM 0 HB3 GLU A 58 5.522 9.569 -7.008 1.00 4.34 H new ATOM 0 HG2 GLU A 58 4.784 7.095 -6.476 1.00 32.42 H new ATOM 0 HG3 GLU A 58 3.206 7.645 -7.003 1.00 32.42 H new ATOM 871 N LEU A 59 5.272 7.190 -4.053 1.00 75.54 N ATOM 872 CA LEU A 59 6.180 6.143 -3.622 1.00 41.42 C ATOM 873 C LEU A 59 5.586 4.778 -3.907 1.00 24.44 C ATOM 874 O LEU A 59 4.367 4.601 -3.897 1.00 21.22 O ATOM 875 CB LEU A 59 6.536 6.271 -2.131 1.00 72.41 C ATOM 876 CG LEU A 59 5.507 5.730 -1.127 1.00 21.42 C ATOM 877 CD1 LEU A 59 6.047 5.833 0.287 1.00 2.11 C ATOM 878 CD2 LEU A 59 4.184 6.468 -1.221 1.00 12.32 C ATOM 0 H LEU A 59 4.282 6.970 -3.942 1.00 75.54 H new ATOM 0 HA LEU A 59 7.103 6.256 -4.191 1.00 41.42 H new ATOM 0 HB2 LEU A 59 7.481 5.755 -1.961 1.00 72.41 H new ATOM 0 HB3 LEU A 59 6.705 7.325 -1.911 1.00 72.41 H new ATOM 0 HG LEU A 59 5.329 4.684 -1.377 1.00 21.42 H new ATOM 0 HD11 LEU A 59 5.307 5.446 0.988 1.00 2.11 H new ATOM 0 HD12 LEU A 59 6.965 5.250 0.369 1.00 2.11 H new ATOM 0 HD13 LEU A 59 6.258 6.877 0.521 1.00 2.11 H new ATOM 0 HD21 LEU A 59 3.484 6.055 -0.494 1.00 12.32 H new ATOM 0 HD22 LEU A 59 4.342 7.526 -1.012 1.00 12.32 H new ATOM 0 HD23 LEU A 59 3.774 6.354 -2.225 1.00 12.32 H new ATOM 890 N THR A 60 6.452 3.826 -4.180 1.00 30.31 N ATOM 891 CA THR A 60 6.031 2.468 -4.441 1.00 64.42 C ATOM 892 C THR A 60 6.691 1.516 -3.448 1.00 34.33 C ATOM 893 O THR A 60 7.888 1.246 -3.528 1.00 70.32 O ATOM 894 CB THR A 60 6.381 2.057 -5.883 1.00 43.33 C ATOM 895 OG1 THR A 60 5.875 3.042 -6.798 1.00 10.32 O ATOM 896 CG2 THR A 60 5.794 0.700 -6.225 1.00 41.12 C ATOM 0 H THR A 60 7.461 3.970 -4.227 1.00 30.31 H new ATOM 0 HA THR A 60 4.949 2.413 -4.321 1.00 64.42 H new ATOM 0 HB THR A 60 7.466 1.991 -5.966 1.00 43.33 H new ATOM 0 HG1 THR A 60 6.099 2.782 -7.716 1.00 10.32 H new ATOM 0 HG21 THR A 60 6.058 0.437 -7.249 1.00 41.12 H new ATOM 0 HG22 THR A 60 6.193 -0.051 -5.543 1.00 41.12 H new ATOM 0 HG23 THR A 60 4.709 0.738 -6.128 1.00 41.12 H new ATOM 904 N ALA A 61 5.910 1.035 -2.496 1.00 4.34 N ATOM 905 CA ALA A 61 6.422 0.136 -1.478 1.00 51.31 C ATOM 906 C ALA A 61 5.854 -1.259 -1.674 1.00 51.42 C ATOM 907 O ALA A 61 4.636 -1.438 -1.708 1.00 3.32 O ATOM 908 CB ALA A 61 6.091 0.660 -0.090 1.00 71.21 C ATOM 0 H ALA A 61 4.917 1.253 -2.407 1.00 4.34 H new ATOM 0 HA ALA A 61 7.507 0.084 -1.573 1.00 51.31 H new ATOM 0 HB1 ALA A 61 6.482 -0.026 0.661 1.00 71.21 H new ATOM 0 HB2 ALA A 61 6.543 1.642 0.045 1.00 71.21 H new ATOM 0 HB3 ALA A 61 5.010 0.740 0.020 1.00 71.21 H new ATOM 914 N ARG A 62 6.732 -2.240 -1.818 1.00 45.43 N ATOM 915 CA ARG A 62 6.299 -3.607 -2.058 1.00 21.03 C ATOM 916 C ARG A 62 6.575 -4.502 -0.875 1.00 42.54 C ATOM 917 O ARG A 62 7.692 -4.559 -0.364 1.00 75.41 O ATOM 918 CB ARG A 62 6.928 -4.185 -3.324 1.00 65.20 C ATOM 919 CG ARG A 62 8.411 -3.913 -3.483 1.00 43.41 C ATOM 920 CD ARG A 62 8.897 -4.415 -4.831 1.00 63.24 C ATOM 921 NE ARG A 62 8.002 -3.999 -5.914 1.00 12.43 N ATOM 922 CZ ARG A 62 8.404 -3.446 -7.052 1.00 64.45 C ATOM 923 NH1 ARG A 62 9.700 -3.277 -7.292 1.00 25.12 N ATOM 924 NH2 ARG A 62 7.502 -3.074 -7.955 1.00 35.31 N ATOM 0 H ARG A 62 7.743 -2.116 -1.773 1.00 45.43 H new ATOM 0 HA ARG A 62 5.219 -3.569 -2.203 1.00 21.03 H new ATOM 0 HB2 ARG A 62 6.769 -5.263 -3.331 1.00 65.20 H new ATOM 0 HB3 ARG A 62 6.404 -3.779 -4.190 1.00 65.20 H new ATOM 0 HG2 ARG A 62 8.603 -2.844 -3.395 1.00 43.41 H new ATOM 0 HG3 ARG A 62 8.966 -4.404 -2.683 1.00 43.41 H new ATOM 0 HD2 ARG A 62 9.901 -4.035 -5.021 1.00 63.24 H new ATOM 0 HD3 ARG A 62 8.966 -5.503 -4.812 1.00 63.24 H new ATOM 0 HE ARG A 62 7.001 -4.144 -5.785 1.00 12.43 H new ATOM 0 HH11 ARG A 62 10.389 -3.573 -6.601 1.00 25.12 H new ATOM 0 HH12 ARG A 62 10.005 -2.852 -8.167 1.00 25.12 H new ATOM 0 HH21 ARG A 62 6.509 -3.214 -7.771 1.00 35.31 H new ATOM 0 HH22 ARG A 62 7.803 -2.648 -8.832 1.00 35.31 H new ATOM 938 N PHE A 63 5.534 -5.189 -0.454 1.00 51.42 N ATOM 939 CA PHE A 63 5.612 -6.128 0.642 1.00 64.50 C ATOM 940 C PHE A 63 5.637 -7.541 0.084 1.00 52.13 C ATOM 941 O PHE A 63 4.710 -7.945 -0.620 1.00 72.44 O ATOM 942 CB PHE A 63 4.398 -5.968 1.568 1.00 71.35 C ATOM 943 CG PHE A 63 4.187 -4.570 2.074 1.00 43.14 C ATOM 944 CD1 PHE A 63 3.424 -3.666 1.353 1.00 14.42 C ATOM 945 CD2 PHE A 63 4.746 -4.164 3.273 1.00 52.22 C ATOM 946 CE1 PHE A 63 3.224 -2.383 1.818 1.00 23.00 C ATOM 947 CE2 PHE A 63 4.551 -2.881 3.744 1.00 51.20 C ATOM 948 CZ PHE A 63 3.788 -1.989 3.016 1.00 71.30 C ATOM 0 H PHE A 63 4.604 -5.110 -0.866 1.00 51.42 H new ATOM 0 HA PHE A 63 6.519 -5.935 1.214 1.00 64.50 H new ATOM 0 HB2 PHE A 63 3.503 -6.287 1.033 1.00 71.35 H new ATOM 0 HB3 PHE A 63 4.515 -6.637 2.421 1.00 71.35 H new ATOM 0 HD1 PHE A 63 2.981 -3.969 0.416 1.00 14.42 H new ATOM 0 HD2 PHE A 63 5.342 -4.859 3.847 1.00 52.22 H new ATOM 0 HE1 PHE A 63 2.627 -1.687 1.246 1.00 23.00 H new ATOM 0 HE2 PHE A 63 4.994 -2.575 4.680 1.00 51.20 H new ATOM 0 HZ PHE A 63 3.633 -0.985 3.383 1.00 71.30 H new ATOM 958 N LYS A 64 6.698 -8.280 0.358 1.00 11.23 N ATOM 959 CA LYS A 64 6.741 -9.675 -0.031 1.00 5.32 C ATOM 960 C LYS A 64 6.422 -10.541 1.171 1.00 64.33 C ATOM 961 O LYS A 64 6.897 -10.290 2.281 1.00 45.31 O ATOM 962 CB LYS A 64 8.093 -10.076 -0.626 1.00 21.05 C ATOM 963 CG LYS A 64 9.243 -10.083 0.363 1.00 53.21 C ATOM 964 CD LYS A 64 10.406 -10.904 -0.161 1.00 24.20 C ATOM 965 CE LYS A 64 10.517 -12.250 0.544 1.00 31.10 C ATOM 966 NZ LYS A 64 9.251 -13.033 0.499 1.00 62.41 N ATOM 0 H LYS A 64 7.530 -7.942 0.842 1.00 11.23 H new ATOM 0 HA LYS A 64 5.995 -9.825 -0.811 1.00 5.32 H new ATOM 0 HB2 LYS A 64 8.002 -11.070 -1.063 1.00 21.05 H new ATOM 0 HB3 LYS A 64 8.335 -9.391 -1.439 1.00 21.05 H new ATOM 0 HG2 LYS A 64 9.571 -9.061 0.552 1.00 53.21 H new ATOM 0 HG3 LYS A 64 8.905 -10.491 1.316 1.00 53.21 H new ATOM 0 HD2 LYS A 64 10.283 -11.065 -1.232 1.00 24.20 H new ATOM 0 HD3 LYS A 64 11.333 -10.347 -0.027 1.00 24.20 H new ATOM 0 HE2 LYS A 64 11.315 -12.832 0.082 1.00 31.10 H new ATOM 0 HE3 LYS A 64 10.801 -12.088 1.584 1.00 31.10 H new ATOM 0 HZ1 LYS A 64 9.442 -14.017 0.775 1.00 62.41 H new ATOM 0 HZ2 LYS A 64 8.561 -12.616 1.157 1.00 62.41 H new ATOM 0 HZ3 LYS A 64 8.865 -13.013 -0.466 1.00 62.41 H new ATOM 980 N PHE A 65 5.625 -11.556 0.939 1.00 42.12 N ATOM 981 CA PHE A 65 5.142 -12.407 2.008 1.00 64.31 C ATOM 982 C PHE A 65 5.786 -13.778 1.914 1.00 31.12 C ATOM 983 O PHE A 65 6.686 -13.995 1.103 1.00 71.01 O ATOM 984 CB PHE A 65 3.620 -12.522 1.936 1.00 63.54 C ATOM 985 CG PHE A 65 2.915 -11.204 2.081 1.00 63.04 C ATOM 986 CD1 PHE A 65 2.617 -10.699 3.337 1.00 24.11 C ATOM 987 CD2 PHE A 65 2.549 -10.472 0.964 1.00 61.40 C ATOM 988 CE1 PHE A 65 1.967 -9.488 3.475 1.00 51.15 C ATOM 989 CE2 PHE A 65 1.900 -9.261 1.096 1.00 31.20 C ATOM 990 CZ PHE A 65 1.608 -8.769 2.354 1.00 3.12 C ATOM 0 H PHE A 65 5.293 -11.817 0.011 1.00 42.12 H new ATOM 0 HA PHE A 65 5.412 -11.964 2.967 1.00 64.31 H new ATOM 0 HB2 PHE A 65 3.342 -12.972 0.983 1.00 63.54 H new ATOM 0 HB3 PHE A 65 3.277 -13.198 2.719 1.00 63.54 H new ATOM 0 HD1 PHE A 65 2.896 -11.259 4.218 1.00 24.11 H new ATOM 0 HD2 PHE A 65 2.774 -10.853 -0.021 1.00 61.40 H new ATOM 0 HE1 PHE A 65 1.740 -9.105 4.459 1.00 51.15 H new ATOM 0 HE2 PHE A 65 1.621 -8.699 0.217 1.00 31.20 H new ATOM 0 HZ PHE A 65 1.099 -7.822 2.459 1.00 3.12 H new ATOM 1000 N GLU A 66 5.325 -14.700 2.736 1.00 71.22 N ATOM 1001 CA GLU A 66 5.885 -16.033 2.768 1.00 54.42 C ATOM 1002 C GLU A 66 5.255 -16.893 1.688 1.00 65.10 C ATOM 1003 O GLU A 66 5.925 -17.708 1.053 1.00 61.13 O ATOM 1004 CB GLU A 66 5.665 -16.644 4.147 1.00 41.41 C ATOM 1005 CG GLU A 66 6.395 -15.898 5.253 1.00 62.34 C ATOM 1006 CD GLU A 66 7.900 -15.973 5.112 1.00 12.25 C ATOM 1007 OE1 GLU A 66 8.457 -15.345 4.186 1.00 75.34 O ATOM 1008 OE2 GLU A 66 8.539 -16.669 5.925 1.00 63.54 O ATOM 0 H GLU A 66 4.560 -14.547 3.393 1.00 71.22 H new ATOM 0 HA GLU A 66 6.956 -15.981 2.575 1.00 54.42 H new ATOM 0 HB2 GLU A 66 4.598 -16.654 4.367 1.00 41.41 H new ATOM 0 HB3 GLU A 66 5.998 -17.682 4.135 1.00 41.41 H new ATOM 0 HG2 GLU A 66 6.085 -14.853 5.247 1.00 62.34 H new ATOM 0 HG3 GLU A 66 6.103 -16.311 6.219 1.00 62.34 H new ATOM 1015 N VAL A 67 3.964 -16.702 1.474 1.00 75.45 N ATOM 1016 CA VAL A 67 3.255 -17.418 0.429 1.00 74.11 C ATOM 1017 C VAL A 67 2.427 -16.455 -0.412 1.00 1.20 C ATOM 1018 O VAL A 67 2.078 -15.360 0.038 1.00 3.04 O ATOM 1019 CB VAL A 67 2.342 -18.527 1.002 1.00 75.20 C ATOM 1020 CG1 VAL A 67 3.166 -19.564 1.746 1.00 23.24 C ATOM 1021 CG2 VAL A 67 1.274 -17.947 1.916 1.00 15.33 C ATOM 0 H VAL A 67 3.386 -16.056 2.011 1.00 75.45 H new ATOM 0 HA VAL A 67 4.008 -17.894 -0.199 1.00 74.11 H new ATOM 0 HB VAL A 67 1.841 -19.011 0.164 1.00 75.20 H new ATOM 0 HG11 VAL A 67 2.507 -20.336 2.142 1.00 23.24 H new ATOM 0 HG12 VAL A 67 3.885 -20.016 1.063 1.00 23.24 H new ATOM 0 HG13 VAL A 67 3.698 -19.085 2.568 1.00 23.24 H new ATOM 0 HG21 VAL A 67 0.649 -18.752 2.302 1.00 15.33 H new ATOM 0 HG22 VAL A 67 1.750 -17.427 2.747 1.00 15.33 H new ATOM 0 HG23 VAL A 67 0.656 -17.246 1.355 1.00 15.33 H new ATOM 1031 N SER A 68 2.111 -16.865 -1.633 1.00 35.03 N ATOM 1032 CA SER A 68 1.355 -16.032 -2.553 1.00 51.35 C ATOM 1033 C SER A 68 -0.069 -15.802 -2.052 1.00 11.24 C ATOM 1034 O SER A 68 -0.735 -14.845 -2.449 1.00 25.43 O ATOM 1035 CB SER A 68 1.342 -16.682 -3.936 1.00 74.21 C ATOM 1036 OG SER A 68 2.663 -16.824 -4.439 1.00 11.13 O ATOM 0 H SER A 68 2.370 -17.777 -2.010 1.00 35.03 H new ATOM 0 HA SER A 68 1.839 -15.057 -2.618 1.00 51.35 H new ATOM 0 HB2 SER A 68 0.863 -17.659 -3.879 1.00 74.21 H new ATOM 0 HB3 SER A 68 0.750 -16.076 -4.622 1.00 74.21 H new ATOM 0 HG SER A 68 2.633 -17.243 -5.324 1.00 11.13 H new ATOM 1042 N ALA A 69 -0.514 -16.674 -1.160 1.00 13.33 N ATOM 1043 CA ALA A 69 -1.834 -16.553 -0.559 1.00 31.11 C ATOM 1044 C ALA A 69 -1.919 -15.294 0.297 1.00 53.45 C ATOM 1045 O ALA A 69 -2.932 -14.598 0.288 1.00 20.41 O ATOM 1046 CB ALA A 69 -2.155 -17.788 0.273 1.00 0.31 C ATOM 0 H ALA A 69 0.023 -17.478 -0.835 1.00 13.33 H new ATOM 0 HA ALA A 69 -2.571 -16.475 -1.358 1.00 31.11 H new ATOM 0 HB1 ALA A 69 -3.145 -17.681 0.715 1.00 0.31 H new ATOM 0 HB2 ALA A 69 -2.136 -18.672 -0.365 1.00 0.31 H new ATOM 0 HB3 ALA A 69 -1.414 -17.896 1.065 1.00 0.31 H new ATOM 1052 N GLU A 70 -0.839 -14.995 1.014 1.00 74.43 N ATOM 1053 CA GLU A 70 -0.782 -13.824 1.879 1.00 62.21 C ATOM 1054 C GLU A 70 -0.848 -12.541 1.053 1.00 1.35 C ATOM 1055 O GLU A 70 -1.420 -11.540 1.486 1.00 53.33 O ATOM 1056 CB GLU A 70 0.498 -13.861 2.712 1.00 44.40 C ATOM 1057 CG GLU A 70 0.562 -15.046 3.657 1.00 20.40 C ATOM 1058 CD GLU A 70 1.846 -15.087 4.452 1.00 61.15 C ATOM 1059 OE1 GLU A 70 2.931 -15.012 3.842 1.00 63.43 O ATOM 1060 OE2 GLU A 70 1.778 -15.219 5.690 1.00 40.32 O ATOM 0 H GLU A 70 0.014 -15.554 1.011 1.00 74.43 H new ATOM 0 HA GLU A 70 -1.641 -13.838 2.549 1.00 62.21 H new ATOM 0 HB2 GLU A 70 1.358 -13.891 2.043 1.00 44.40 H new ATOM 0 HB3 GLU A 70 0.575 -12.940 3.289 1.00 44.40 H new ATOM 0 HG2 GLU A 70 -0.284 -15.005 4.343 1.00 20.40 H new ATOM 0 HG3 GLU A 70 0.464 -15.968 3.084 1.00 20.40 H new ATOM 1067 N LYS A 71 -0.266 -12.592 -0.142 1.00 54.22 N ATOM 1068 CA LYS A 71 -0.337 -11.479 -1.082 1.00 2.40 C ATOM 1069 C LYS A 71 -1.786 -11.183 -1.408 1.00 63.55 C ATOM 1070 O LYS A 71 -2.267 -10.066 -1.233 1.00 5.02 O ATOM 1071 CB LYS A 71 0.393 -11.827 -2.377 1.00 73.31 C ATOM 1072 CG LYS A 71 0.575 -10.637 -3.310 1.00 22.33 C ATOM 1073 CD LYS A 71 1.313 -11.020 -4.581 1.00 43.12 C ATOM 1074 CE LYS A 71 0.529 -12.021 -5.416 1.00 74.11 C ATOM 1075 NZ LYS A 71 -0.679 -11.420 -6.045 1.00 63.44 N ATOM 0 H LYS A 71 0.262 -13.396 -0.483 1.00 54.22 H new ATOM 0 HA LYS A 71 0.133 -10.609 -0.624 1.00 2.40 H new ATOM 0 HB2 LYS A 71 1.372 -12.241 -2.133 1.00 73.31 H new ATOM 0 HB3 LYS A 71 -0.162 -12.607 -2.899 1.00 73.31 H new ATOM 0 HG2 LYS A 71 -0.401 -10.225 -3.567 1.00 22.33 H new ATOM 0 HG3 LYS A 71 1.126 -9.852 -2.793 1.00 22.33 H new ATOM 0 HD2 LYS A 71 1.504 -10.125 -5.173 1.00 43.12 H new ATOM 0 HD3 LYS A 71 2.283 -11.444 -4.323 1.00 43.12 H new ATOM 0 HE2 LYS A 71 1.176 -12.425 -6.194 1.00 74.11 H new ATOM 0 HE3 LYS A 71 0.228 -12.858 -4.786 1.00 74.11 H new ATOM 0 HZ1 LYS A 71 -1.167 -12.139 -6.616 1.00 63.44 H new ATOM 0 HZ2 LYS A 71 -1.320 -11.073 -5.303 1.00 63.44 H new ATOM 0 HZ3 LYS A 71 -0.395 -10.628 -6.656 1.00 63.44 H new ATOM 1089 N LEU A 72 -2.462 -12.217 -1.881 1.00 72.13 N ATOM 1090 CA LEU A 72 -3.874 -12.133 -2.246 1.00 73.02 C ATOM 1091 C LEU A 72 -4.714 -11.594 -1.093 1.00 4.43 C ATOM 1092 O LEU A 72 -5.560 -10.725 -1.293 1.00 32.32 O ATOM 1093 CB LEU A 72 -4.388 -13.508 -2.670 1.00 52.03 C ATOM 1094 CG LEU A 72 -3.709 -14.102 -3.904 1.00 52.54 C ATOM 1095 CD1 LEU A 72 -4.244 -15.495 -4.189 1.00 64.55 C ATOM 1096 CD2 LEU A 72 -3.910 -13.196 -5.112 1.00 4.03 C ATOM 0 H LEU A 72 -2.051 -13.140 -2.024 1.00 72.13 H new ATOM 0 HA LEU A 72 -3.965 -11.440 -3.082 1.00 73.02 H new ATOM 0 HB2 LEU A 72 -4.261 -14.199 -1.837 1.00 52.03 H new ATOM 0 HB3 LEU A 72 -5.458 -13.435 -2.863 1.00 52.03 H new ATOM 0 HG LEU A 72 -2.640 -14.178 -3.704 1.00 52.54 H new ATOM 0 HD11 LEU A 72 -3.749 -15.902 -5.071 1.00 64.55 H new ATOM 0 HD12 LEU A 72 -4.050 -16.142 -3.333 1.00 64.55 H new ATOM 0 HD13 LEU A 72 -5.318 -15.443 -4.368 1.00 64.55 H new ATOM 0 HD21 LEU A 72 -3.420 -13.635 -5.981 1.00 4.03 H new ATOM 0 HD22 LEU A 72 -4.976 -13.088 -5.312 1.00 4.03 H new ATOM 0 HD23 LEU A 72 -3.478 -12.216 -4.908 1.00 4.03 H new ATOM 1108 N ILE A 73 -4.473 -12.105 0.110 1.00 11.32 N ATOM 1109 CA ILE A 73 -5.186 -11.642 1.300 1.00 22.13 C ATOM 1110 C ILE A 73 -4.960 -10.147 1.521 1.00 2.33 C ATOM 1111 O ILE A 73 -5.903 -9.399 1.792 1.00 2.12 O ATOM 1112 CB ILE A 73 -4.745 -12.420 2.562 1.00 20.44 C ATOM 1113 CG1 ILE A 73 -5.093 -13.903 2.413 1.00 14.40 C ATOM 1114 CG2 ILE A 73 -5.400 -11.842 3.812 1.00 43.31 C ATOM 1115 CD1 ILE A 73 -4.590 -14.773 3.548 1.00 71.30 C ATOM 0 H ILE A 73 -3.789 -12.840 0.289 1.00 11.32 H new ATOM 0 HA ILE A 73 -6.247 -11.825 1.131 1.00 22.13 H new ATOM 0 HB ILE A 73 -3.665 -12.320 2.669 1.00 20.44 H new ATOM 0 HG12 ILE A 73 -6.176 -14.006 2.343 1.00 14.40 H new ATOM 0 HG13 ILE A 73 -4.676 -14.271 1.475 1.00 14.40 H new ATOM 0 HG21 ILE A 73 -5.075 -12.405 4.687 1.00 43.31 H new ATOM 0 HG22 ILE A 73 -5.110 -10.797 3.925 1.00 43.31 H new ATOM 0 HG23 ILE A 73 -6.484 -11.910 3.719 1.00 43.31 H new ATOM 0 HD11 ILE A 73 -4.877 -15.809 3.367 1.00 71.30 H new ATOM 0 HD12 ILE A 73 -3.504 -14.703 3.607 1.00 71.30 H new ATOM 0 HD13 ILE A 73 -5.027 -14.434 4.487 1.00 71.30 H new ATOM 1127 N PHE A 74 -3.711 -9.714 1.393 1.00 14.40 N ATOM 1128 CA PHE A 74 -3.369 -8.306 1.557 1.00 53.21 C ATOM 1129 C PHE A 74 -4.053 -7.464 0.482 1.00 0.50 C ATOM 1130 O PHE A 74 -4.583 -6.387 0.764 1.00 61.34 O ATOM 1131 CB PHE A 74 -1.850 -8.121 1.499 1.00 13.52 C ATOM 1132 CG PHE A 74 -1.389 -6.723 1.810 1.00 1.34 C ATOM 1133 CD1 PHE A 74 -1.359 -6.264 3.117 1.00 70.50 C ATOM 1134 CD2 PHE A 74 -0.977 -5.871 0.796 1.00 5.53 C ATOM 1135 CE1 PHE A 74 -0.930 -4.984 3.409 1.00 53.24 C ATOM 1136 CE2 PHE A 74 -0.547 -4.589 1.081 1.00 22.25 C ATOM 1137 CZ PHE A 74 -0.524 -4.144 2.391 1.00 34.30 C ATOM 0 H PHE A 74 -2.918 -10.318 1.176 1.00 14.40 H new ATOM 0 HA PHE A 74 -3.722 -7.971 2.532 1.00 53.21 H new ATOM 0 HB2 PHE A 74 -1.384 -8.811 2.202 1.00 13.52 H new ATOM 0 HB3 PHE A 74 -1.499 -8.395 0.504 1.00 13.52 H new ATOM 0 HD1 PHE A 74 -1.675 -6.916 3.918 1.00 70.50 H new ATOM 0 HD2 PHE A 74 -0.992 -6.213 -0.228 1.00 5.53 H new ATOM 0 HE1 PHE A 74 -0.912 -4.640 4.433 1.00 53.24 H new ATOM 0 HE2 PHE A 74 -0.229 -3.935 0.282 1.00 22.25 H new ATOM 0 HZ PHE A 74 -0.189 -3.142 2.617 1.00 34.30 H new ATOM 1147 N GLU A 75 -4.051 -7.968 -0.747 1.00 34.52 N ATOM 1148 CA GLU A 75 -4.708 -7.295 -1.861 1.00 72.02 C ATOM 1149 C GLU A 75 -6.216 -7.219 -1.632 1.00 41.04 C ATOM 1150 O GLU A 75 -6.840 -6.194 -1.901 1.00 62.01 O ATOM 1151 CB GLU A 75 -4.402 -8.012 -3.182 1.00 11.52 C ATOM 1152 CG GLU A 75 -2.941 -7.915 -3.601 1.00 32.11 C ATOM 1153 CD GLU A 75 -2.636 -8.690 -4.868 1.00 74.54 C ATOM 1154 OE1 GLU A 75 -2.322 -9.893 -4.771 1.00 31.31 O ATOM 1155 OE2 GLU A 75 -2.699 -8.094 -5.969 1.00 13.55 O ATOM 0 H GLU A 75 -3.598 -8.847 -0.998 1.00 34.52 H new ATOM 0 HA GLU A 75 -4.318 -6.279 -1.922 1.00 72.02 H new ATOM 0 HB2 GLU A 75 -4.676 -9.063 -3.088 1.00 11.52 H new ATOM 0 HB3 GLU A 75 -5.026 -7.589 -3.969 1.00 11.52 H new ATOM 0 HG2 GLU A 75 -2.680 -6.867 -3.751 1.00 32.11 H new ATOM 0 HG3 GLU A 75 -2.311 -8.288 -2.793 1.00 32.11 H new ATOM 1162 N LEU A 76 -6.792 -8.298 -1.115 1.00 60.12 N ATOM 1163 CA LEU A 76 -8.205 -8.352 -0.816 1.00 64.41 C ATOM 1164 C LEU A 76 -8.582 -7.365 0.286 1.00 12.52 C ATOM 1165 O LEU A 76 -9.582 -6.653 0.179 1.00 4.44 O ATOM 1166 CB LEU A 76 -8.569 -9.774 -0.402 1.00 3.24 C ATOM 1167 CG LEU A 76 -8.639 -10.793 -1.542 1.00 52.51 C ATOM 1168 CD1 LEU A 76 -8.919 -12.184 -0.996 1.00 12.13 C ATOM 1169 CD2 LEU A 76 -9.701 -10.397 -2.555 1.00 65.34 C ATOM 0 H LEU A 76 -6.287 -9.156 -0.894 1.00 60.12 H new ATOM 0 HA LEU A 76 -8.763 -8.070 -1.709 1.00 64.41 H new ATOM 0 HB2 LEU A 76 -7.837 -10.120 0.328 1.00 3.24 H new ATOM 0 HB3 LEU A 76 -9.535 -9.751 0.102 1.00 3.24 H new ATOM 0 HG LEU A 76 -7.673 -10.806 -2.047 1.00 52.51 H new ATOM 0 HD11 LEU A 76 -8.965 -12.896 -1.820 1.00 12.13 H new ATOM 0 HD12 LEU A 76 -8.122 -12.473 -0.311 1.00 12.13 H new ATOM 0 HD13 LEU A 76 -9.871 -12.182 -0.465 1.00 12.13 H new ATOM 0 HD21 LEU A 76 -9.733 -11.135 -3.356 1.00 65.34 H new ATOM 0 HD22 LEU A 76 -10.673 -10.352 -2.064 1.00 65.34 H new ATOM 0 HD23 LEU A 76 -9.459 -9.419 -2.972 1.00 65.34 H new ATOM 1181 N LYS A 77 -7.778 -7.317 1.342 1.00 50.24 N ATOM 1182 CA LYS A 77 -8.048 -6.419 2.460 1.00 21.50 C ATOM 1183 C LYS A 77 -7.869 -4.958 2.063 1.00 45.51 C ATOM 1184 O LYS A 77 -8.664 -4.100 2.453 1.00 32.23 O ATOM 1185 CB LYS A 77 -7.154 -6.756 3.655 1.00 45.20 C ATOM 1186 CG LYS A 77 -7.513 -8.069 4.328 1.00 11.11 C ATOM 1187 CD LYS A 77 -6.696 -8.294 5.586 1.00 33.42 C ATOM 1188 CE LYS A 77 -7.125 -9.559 6.315 1.00 61.12 C ATOM 1189 NZ LYS A 77 -8.553 -9.506 6.732 1.00 22.13 N ATOM 0 H LYS A 77 -6.938 -7.886 1.448 1.00 50.24 H new ATOM 0 HA LYS A 77 -9.089 -6.563 2.748 1.00 21.50 H new ATOM 0 HB2 LYS A 77 -6.117 -6.799 3.322 1.00 45.20 H new ATOM 0 HB3 LYS A 77 -7.221 -5.951 4.387 1.00 45.20 H new ATOM 0 HG2 LYS A 77 -8.574 -8.072 4.577 1.00 11.11 H new ATOM 0 HG3 LYS A 77 -7.346 -8.892 3.633 1.00 11.11 H new ATOM 0 HD2 LYS A 77 -5.640 -8.364 5.327 1.00 33.42 H new ATOM 0 HD3 LYS A 77 -6.805 -7.436 6.250 1.00 33.42 H new ATOM 0 HE2 LYS A 77 -6.968 -10.421 5.667 1.00 61.12 H new ATOM 0 HE3 LYS A 77 -6.496 -9.702 7.194 1.00 61.12 H new ATOM 0 HZ1 LYS A 77 -8.730 -10.230 7.457 1.00 22.13 H new ATOM 0 HZ2 LYS A 77 -8.766 -8.566 7.122 1.00 22.13 H new ATOM 0 HZ3 LYS A 77 -9.162 -9.685 5.908 1.00 22.13 H new ATOM 1203 N THR A 78 -6.841 -4.673 1.268 1.00 22.40 N ATOM 1204 CA THR A 78 -6.569 -3.304 0.854 1.00 21.01 C ATOM 1205 C THR A 78 -7.683 -2.754 -0.030 1.00 54.53 C ATOM 1206 O THR A 78 -7.857 -1.547 -0.130 1.00 3.45 O ATOM 1207 CB THR A 78 -5.217 -3.176 0.125 1.00 23.20 C ATOM 1208 OG1 THR A 78 -5.060 -4.238 -0.821 1.00 61.12 O ATOM 1209 CG2 THR A 78 -4.066 -3.194 1.118 1.00 13.01 C ATOM 0 H THR A 78 -6.189 -5.367 0.901 1.00 22.40 H new ATOM 0 HA THR A 78 -6.521 -2.713 1.769 1.00 21.01 H new ATOM 0 HB THR A 78 -5.205 -2.223 -0.404 1.00 23.20 H new ATOM 0 HG1 THR A 78 -4.785 -5.054 -0.354 1.00 61.12 H new ATOM 0 HG21 THR A 78 -3.121 -3.102 0.582 1.00 13.01 H new ATOM 0 HG22 THR A 78 -4.171 -2.360 1.812 1.00 13.01 H new ATOM 0 HG23 THR A 78 -4.079 -4.132 1.673 1.00 13.01 H new ATOM 1217 N ARG A 79 -8.450 -3.640 -0.651 1.00 12.31 N ATOM 1218 CA ARG A 79 -9.582 -3.235 -1.457 1.00 62.12 C ATOM 1219 C ARG A 79 -10.612 -2.473 -0.627 1.00 72.25 C ATOM 1220 O ARG A 79 -11.134 -1.450 -1.060 1.00 34.42 O ATOM 1221 CB ARG A 79 -10.212 -4.461 -2.102 1.00 1.12 C ATOM 1222 CG ARG A 79 -9.415 -4.989 -3.280 1.00 71.34 C ATOM 1223 CD ARG A 79 -9.417 -3.992 -4.428 1.00 43.34 C ATOM 1224 NE ARG A 79 -8.449 -4.331 -5.468 1.00 11.43 N ATOM 1225 CZ ARG A 79 -8.198 -3.553 -6.521 1.00 63.03 C ATOM 1226 NH1 ARG A 79 -8.866 -2.417 -6.688 1.00 53.02 N ATOM 1227 NH2 ARG A 79 -7.279 -3.902 -7.408 1.00 4.35 N ATOM 0 H ARG A 79 -8.303 -4.648 -0.608 1.00 12.31 H new ATOM 0 HA ARG A 79 -9.229 -2.560 -2.236 1.00 62.12 H new ATOM 0 HB2 ARG A 79 -10.309 -5.248 -1.354 1.00 1.12 H new ATOM 0 HB3 ARG A 79 -11.220 -4.212 -2.435 1.00 1.12 H new ATOM 0 HG2 ARG A 79 -8.390 -5.190 -2.970 1.00 71.34 H new ATOM 0 HG3 ARG A 79 -9.838 -5.936 -3.615 1.00 71.34 H new ATOM 0 HD2 ARG A 79 -10.415 -3.949 -4.865 1.00 43.34 H new ATOM 0 HD3 ARG A 79 -9.196 -2.997 -4.041 1.00 43.34 H new ATOM 0 HE ARG A 79 -7.938 -5.210 -5.384 1.00 11.43 H new ATOM 0 HH11 ARG A 79 -9.574 -2.137 -6.009 1.00 53.02 H new ATOM 0 HH12 ARG A 79 -8.671 -1.825 -7.495 1.00 53.02 H new ATOM 0 HH21 ARG A 79 -6.758 -4.771 -7.288 1.00 4.35 H new ATOM 0 HH22 ARG A 79 -7.092 -3.302 -8.211 1.00 4.35 H new ATOM 1241 N SER A 80 -10.899 -2.974 0.565 1.00 44.41 N ATOM 1242 CA SER A 80 -11.851 -2.337 1.450 1.00 20.22 C ATOM 1243 C SER A 80 -11.225 -1.172 2.208 1.00 41.05 C ATOM 1244 O SER A 80 -11.927 -0.354 2.801 1.00 3.21 O ATOM 1245 CB SER A 80 -12.388 -3.375 2.424 1.00 73.40 C ATOM 1246 OG SER A 80 -13.011 -4.437 1.723 1.00 10.42 O ATOM 0 H SER A 80 -10.481 -3.826 0.940 1.00 44.41 H new ATOM 0 HA SER A 80 -12.665 -1.929 0.851 1.00 20.22 H new ATOM 0 HB2 SER A 80 -11.574 -3.763 3.036 1.00 73.40 H new ATOM 0 HB3 SER A 80 -13.103 -2.910 3.102 1.00 73.40 H new ATOM 0 HG SER A 80 -13.350 -5.097 2.363 1.00 10.42 H new ATOM 1252 N LEU A 81 -9.905 -1.090 2.170 1.00 32.31 N ATOM 1253 CA LEU A 81 -9.186 -0.054 2.878 1.00 71.01 C ATOM 1254 C LEU A 81 -8.904 1.140 1.966 1.00 32.10 C ATOM 1255 O LEU A 81 -9.014 2.291 2.382 1.00 4.41 O ATOM 1256 CB LEU A 81 -7.879 -0.637 3.417 1.00 43.51 C ATOM 1257 CG LEU A 81 -6.797 0.388 3.721 1.00 64.50 C ATOM 1258 CD1 LEU A 81 -7.182 1.258 4.911 1.00 74.43 C ATOM 1259 CD2 LEU A 81 -5.461 -0.295 3.963 1.00 5.31 C ATOM 0 H LEU A 81 -9.310 -1.736 1.651 1.00 32.31 H new ATOM 0 HA LEU A 81 -9.798 0.303 3.706 1.00 71.01 H new ATOM 0 HB2 LEU A 81 -8.096 -1.196 4.327 1.00 43.51 H new ATOM 0 HB3 LEU A 81 -7.490 -1.350 2.690 1.00 43.51 H new ATOM 0 HG LEU A 81 -6.697 1.037 2.851 1.00 64.50 H new ATOM 0 HD11 LEU A 81 -6.390 1.981 5.105 1.00 74.43 H new ATOM 0 HD12 LEU A 81 -8.109 1.786 4.690 1.00 74.43 H new ATOM 0 HD13 LEU A 81 -7.323 0.630 5.791 1.00 74.43 H new ATOM 0 HD21 LEU A 81 -4.702 0.457 4.179 1.00 5.31 H new ATOM 0 HD22 LEU A 81 -5.548 -0.976 4.810 1.00 5.31 H new ATOM 0 HD23 LEU A 81 -5.173 -0.857 3.074 1.00 5.31 H new