USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 337 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 18 MET CE :methyl -153:sc= -4.74! (180deg=-3.94!) USER MOD Set 1.2: A 21 MET CE :methyl -179:sc= -4.09! (180deg=-3.56!) USER MOD Single : A 14 SER OG : rot -100:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.836 X(o=-0.84,f=-1.3!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= -0.371 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.2) USER MOD Single : A 36 THR OG1 : rot -52:sc= 1.3 USER MOD Single : A 37 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.256) USER MOD Single : A 38 ASN : amide:sc=-0.00319 X(o=-0.0032,f=-0.0032) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 57:sc= -0.0864 USER MOD Single : A 49 GLN : amide:sc= -0.775 X(o=-0.78,f=-0.97) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ALA A 7 1.830 -14.268 -3.255 1.00 73.11 N ATOM 75 CA ALA A 7 1.002 -15.414 -3.611 1.00 51.12 C ATOM 76 C ALA A 7 0.491 -16.130 -2.366 1.00 14.02 C ATOM 77 O ALA A 7 0.622 -15.626 -1.250 1.00 55.44 O ATOM 78 CB ALA A 7 1.784 -16.377 -4.492 1.00 42.42 C ATOM 0 HA ALA A 7 0.139 -15.048 -4.168 1.00 51.12 H new ATOM 0 HB1 ALA A 7 1.153 -17.228 -4.750 1.00 42.42 H new ATOM 0 HB2 ALA A 7 2.095 -15.866 -5.403 1.00 42.42 H new ATOM 0 HB3 ALA A 7 2.665 -16.728 -3.955 1.00 42.42 H new ATOM 84 N ASP A 8 -0.093 -17.307 -2.563 1.00 65.15 N ATOM 85 CA ASP A 8 -0.624 -18.093 -1.456 1.00 4.13 C ATOM 86 C ASP A 8 -0.152 -19.541 -1.542 1.00 34.21 C ATOM 87 O ASP A 8 0.259 -20.024 -2.597 1.00 63.10 O ATOM 88 CB ASP A 8 -2.152 -18.040 -1.452 1.00 32.32 C ATOM 89 CG ASP A 8 -2.702 -17.274 -0.265 1.00 0.01 C ATOM 90 OD1 ASP A 8 -2.176 -16.180 0.031 1.00 74.13 O ATOM 91 OD2 ASP A 8 -3.658 -17.768 0.368 1.00 14.40 O ATOM 0 H ASP A 8 -0.211 -17.738 -3.480 1.00 65.15 H new ATOM 0 HA ASP A 8 -0.251 -17.664 -0.526 1.00 4.13 H new ATOM 0 HB2 ASP A 8 -2.499 -17.573 -2.374 1.00 32.32 H new ATOM 0 HB3 ASP A 8 -2.548 -19.056 -1.440 1.00 32.32 H new ATOM 96 N PRO A 9 -0.212 -20.252 -0.406 1.00 12.10 N ATOM 97 CA PRO A 9 0.205 -21.655 -0.327 1.00 71.11 C ATOM 98 C PRO A 9 -0.745 -22.585 -1.074 1.00 50.02 C ATOM 99 O PRO A 9 -0.317 -23.563 -1.686 1.00 60.55 O ATOM 100 CB PRO A 9 0.172 -21.951 1.174 1.00 22.03 C ATOM 101 CG PRO A 9 -0.812 -20.981 1.730 1.00 35.13 C ATOM 102 CD PRO A 9 -0.692 -19.741 0.889 1.00 51.41 C ATOM 0 HA PRO A 9 1.180 -21.817 -0.786 1.00 71.11 H new ATOM 0 HB2 PRO A 9 -0.133 -22.979 1.368 1.00 22.03 H new ATOM 0 HB3 PRO A 9 1.156 -21.820 1.625 1.00 22.03 H new ATOM 0 HG2 PRO A 9 -1.824 -21.384 1.688 1.00 35.13 H new ATOM 0 HG3 PRO A 9 -0.598 -20.765 2.777 1.00 35.13 H new ATOM 0 HD2 PRO A 9 -1.649 -19.229 0.789 1.00 51.41 H new ATOM 0 HD3 PRO A 9 0.008 -19.027 1.323 1.00 51.41 H new ATOM 110 N ARG A 10 -2.036 -22.273 -1.020 1.00 3.11 N ATOM 111 CA ARG A 10 -3.046 -23.082 -1.691 1.00 52.42 C ATOM 112 C ARG A 10 -3.265 -22.600 -3.122 1.00 54.14 C ATOM 113 O ARG A 10 -4.194 -23.040 -3.802 1.00 11.35 O ATOM 114 CB ARG A 10 -4.365 -23.033 -0.918 1.00 32.22 C ATOM 115 CG ARG A 10 -4.465 -24.077 0.182 1.00 22.24 C ATOM 116 CD ARG A 10 -3.982 -23.529 1.516 1.00 10.11 C ATOM 117 NE ARG A 10 -4.925 -23.807 2.596 1.00 71.21 N ATOM 118 CZ ARG A 10 -6.078 -23.165 2.749 1.00 44.41 C ATOM 119 NH1 ARG A 10 -6.428 -22.212 1.896 1.00 63.24 N ATOM 120 NH2 ARG A 10 -6.883 -23.475 3.757 1.00 42.21 N ATOM 0 H ARG A 10 -2.407 -21.466 -0.519 1.00 3.11 H new ATOM 0 HA ARG A 10 -2.689 -24.111 -1.723 1.00 52.42 H new ATOM 0 HB2 ARG A 10 -4.482 -22.042 -0.479 1.00 32.22 H new ATOM 0 HB3 ARG A 10 -5.191 -23.172 -1.616 1.00 32.22 H new ATOM 0 HG2 ARG A 10 -5.499 -24.409 0.277 1.00 22.24 H new ATOM 0 HG3 ARG A 10 -3.873 -24.951 -0.089 1.00 22.24 H new ATOM 0 HD2 ARG A 10 -3.014 -23.967 1.759 1.00 10.11 H new ATOM 0 HD3 ARG A 10 -3.833 -22.452 1.433 1.00 10.11 H new ATOM 0 HE ARG A 10 -4.685 -24.534 3.270 1.00 71.21 H new ATOM 0 HH11 ARG A 10 -5.811 -21.970 1.120 1.00 63.24 H new ATOM 0 HH12 ARG A 10 -7.314 -21.721 2.016 1.00 63.24 H new ATOM 0 HH21 ARG A 10 -6.617 -24.207 4.416 1.00 42.21 H new ATOM 0 HH22 ARG A 10 -7.768 -22.981 3.873 1.00 42.21 H new ATOM 134 N LEU A 11 -2.405 -21.694 -3.574 1.00 53.03 N ATOM 135 CA LEU A 11 -2.505 -21.152 -4.925 1.00 4.41 C ATOM 136 C LEU A 11 -1.275 -21.516 -5.750 1.00 24.21 C ATOM 137 O LEU A 11 -1.390 -21.945 -6.898 1.00 54.14 O ATOM 138 CB LEU A 11 -2.667 -19.631 -4.874 1.00 64.35 C ATOM 139 CG LEU A 11 -2.562 -18.900 -6.213 1.00 62.44 C ATOM 140 CD1 LEU A 11 -3.788 -19.177 -7.070 1.00 24.10 C ATOM 141 CD2 LEU A 11 -2.390 -17.405 -5.993 1.00 1.45 C ATOM 0 H LEU A 11 -1.631 -21.319 -3.025 1.00 53.03 H new ATOM 0 HA LEU A 11 -3.382 -21.590 -5.402 1.00 4.41 H new ATOM 0 HB2 LEU A 11 -3.638 -19.404 -4.434 1.00 64.35 H new ATOM 0 HB3 LEU A 11 -1.910 -19.227 -4.202 1.00 64.35 H new ATOM 0 HG LEU A 11 -1.684 -19.272 -6.740 1.00 62.44 H new ATOM 0 HD11 LEU A 11 -3.696 -18.649 -8.019 1.00 24.10 H new ATOM 0 HD12 LEU A 11 -3.867 -20.248 -7.257 1.00 24.10 H new ATOM 0 HD13 LEU A 11 -4.681 -18.833 -6.549 1.00 24.10 H new ATOM 0 HD21 LEU A 11 -2.317 -16.901 -6.957 1.00 1.45 H new ATOM 0 HD22 LEU A 11 -3.248 -17.017 -5.445 1.00 1.45 H new ATOM 0 HD23 LEU A 11 -1.481 -17.224 -5.419 1.00 1.45 H new ATOM 153 N ILE A 12 -0.098 -21.345 -5.156 1.00 53.02 N ATOM 154 CA ILE A 12 1.153 -21.659 -5.835 1.00 74.33 C ATOM 155 C ILE A 12 1.169 -23.107 -6.315 1.00 52.55 C ATOM 156 O ILE A 12 1.800 -23.430 -7.321 1.00 50.51 O ATOM 157 CB ILE A 12 2.366 -21.421 -4.918 1.00 25.01 C ATOM 158 CG1 ILE A 12 2.271 -22.302 -3.670 1.00 43.24 C ATOM 159 CG2 ILE A 12 2.457 -19.953 -4.530 1.00 44.44 C ATOM 160 CD1 ILE A 12 3.030 -23.605 -3.791 1.00 41.24 C ATOM 0 H ILE A 12 0.015 -20.991 -4.206 1.00 53.02 H new ATOM 0 HA ILE A 12 1.222 -20.992 -6.695 1.00 74.33 H new ATOM 0 HB ILE A 12 3.272 -21.690 -5.462 1.00 25.01 H new ATOM 0 HG12 ILE A 12 2.653 -21.747 -2.813 1.00 43.24 H new ATOM 0 HG13 ILE A 12 1.222 -22.519 -3.467 1.00 43.24 H new ATOM 0 HG21 ILE A 12 3.320 -19.801 -3.881 1.00 44.44 H new ATOM 0 HG22 ILE A 12 2.567 -19.345 -5.428 1.00 44.44 H new ATOM 0 HG23 ILE A 12 1.550 -19.659 -4.002 1.00 44.44 H new ATOM 0 HD11 ILE A 12 2.918 -24.178 -2.870 1.00 41.24 H new ATOM 0 HD12 ILE A 12 2.633 -24.181 -4.627 1.00 41.24 H new ATOM 0 HD13 ILE A 12 4.086 -23.396 -3.963 1.00 41.24 H new ATOM 172 N GLU A 13 0.469 -23.973 -5.590 1.00 33.00 N ATOM 173 CA GLU A 13 0.402 -25.386 -5.943 1.00 63.24 C ATOM 174 C GLU A 13 -0.097 -25.566 -7.374 1.00 65.32 C ATOM 175 O GLU A 13 0.347 -26.465 -8.089 1.00 71.00 O ATOM 176 CB GLU A 13 -0.515 -26.135 -4.974 1.00 1.41 C ATOM 177 CG GLU A 13 -1.836 -25.429 -4.719 1.00 34.31 C ATOM 178 CD GLU A 13 -2.925 -26.379 -4.259 1.00 74.14 C ATOM 179 OE1 GLU A 13 -2.595 -27.381 -3.591 1.00 42.00 O ATOM 180 OE2 GLU A 13 -4.108 -26.121 -4.568 1.00 65.11 O ATOM 0 H GLU A 13 -0.060 -23.721 -4.755 1.00 33.00 H new ATOM 0 HA GLU A 13 1.408 -25.799 -5.872 1.00 63.24 H new ATOM 0 HB2 GLU A 13 -0.715 -27.130 -5.372 1.00 1.41 H new ATOM 0 HB3 GLU A 13 0.005 -26.269 -4.025 1.00 1.41 H new ATOM 0 HG2 GLU A 13 -1.691 -24.656 -3.965 1.00 34.31 H new ATOM 0 HG3 GLU A 13 -2.158 -24.928 -5.632 1.00 34.31 H new ATOM 187 N SER A 14 -1.022 -24.705 -7.785 1.00 32.22 N ATOM 188 CA SER A 14 -1.585 -24.771 -9.128 1.00 73.23 C ATOM 189 C SER A 14 -0.616 -24.190 -10.153 1.00 24.11 C ATOM 190 O SER A 14 -0.276 -24.840 -11.142 1.00 72.35 O ATOM 191 CB SER A 14 -2.916 -24.018 -9.184 1.00 43.11 C ATOM 192 OG SER A 14 -3.902 -24.666 -8.399 1.00 42.22 O ATOM 0 H SER A 14 -1.398 -23.953 -7.207 1.00 32.22 H new ATOM 0 HA SER A 14 -1.758 -25.819 -9.371 1.00 73.23 H new ATOM 0 HB2 SER A 14 -2.775 -22.998 -8.827 1.00 43.11 H new ATOM 0 HB3 SER A 14 -3.256 -23.950 -10.217 1.00 43.11 H new ATOM 0 HG SER A 14 -4.487 -25.196 -8.980 1.00 42.22 H new ATOM 198 N LEU A 15 -0.173 -22.962 -9.909 1.00 10.44 N ATOM 199 CA LEU A 15 0.758 -22.291 -10.809 1.00 43.31 C ATOM 200 C LEU A 15 1.927 -23.204 -11.163 1.00 62.40 C ATOM 201 O LEU A 15 2.396 -23.217 -12.301 1.00 41.51 O ATOM 202 CB LEU A 15 1.279 -21.003 -10.169 1.00 53.51 C ATOM 203 CG LEU A 15 0.245 -19.898 -9.948 1.00 12.13 C ATOM 204 CD1 LEU A 15 0.281 -19.414 -8.506 1.00 72.23 C ATOM 205 CD2 LEU A 15 0.487 -18.741 -10.907 1.00 35.25 C ATOM 0 H LEU A 15 -0.444 -22.410 -9.095 1.00 10.44 H new ATOM 0 HA LEU A 15 0.223 -22.044 -11.726 1.00 43.31 H new ATOM 0 HB2 LEU A 15 1.725 -21.254 -9.206 1.00 53.51 H new ATOM 0 HB3 LEU A 15 2.077 -20.606 -10.796 1.00 53.51 H new ATOM 0 HG LEU A 15 -0.745 -20.308 -10.148 1.00 12.13 H new ATOM 0 HD11 LEU A 15 -0.461 -18.628 -8.367 1.00 72.23 H new ATOM 0 HD12 LEU A 15 0.058 -20.246 -7.837 1.00 72.23 H new ATOM 0 HD13 LEU A 15 1.272 -19.021 -8.279 1.00 72.23 H new ATOM 0 HD21 LEU A 15 -0.258 -17.964 -10.735 1.00 35.25 H new ATOM 0 HD22 LEU A 15 1.483 -18.332 -10.739 1.00 35.25 H new ATOM 0 HD23 LEU A 15 0.409 -19.097 -11.934 1.00 35.25 H new ATOM 217 N SER A 16 2.392 -23.970 -10.181 1.00 12.02 N ATOM 218 CA SER A 16 3.507 -24.886 -10.388 1.00 61.20 C ATOM 219 C SER A 16 3.260 -25.777 -11.602 1.00 1.12 C ATOM 220 O SER A 16 4.182 -26.083 -12.358 1.00 12.43 O ATOM 221 CB SER A 16 3.724 -25.749 -9.144 1.00 34.35 C ATOM 222 OG SER A 16 4.517 -26.885 -9.442 1.00 72.02 O ATOM 0 H SER A 16 2.013 -23.974 -9.234 1.00 12.02 H new ATOM 0 HA SER A 16 4.403 -24.293 -10.570 1.00 61.20 H new ATOM 0 HB2 SER A 16 4.209 -25.157 -8.367 1.00 34.35 H new ATOM 0 HB3 SER A 16 2.761 -26.068 -8.747 1.00 34.35 H new ATOM 0 HG SER A 16 4.642 -27.419 -8.630 1.00 72.02 H new ATOM 228 N GLN A 17 2.009 -26.189 -11.781 1.00 22.35 N ATOM 229 CA GLN A 17 1.641 -27.046 -12.902 1.00 15.53 C ATOM 230 C GLN A 17 1.547 -26.241 -14.194 1.00 12.54 C ATOM 231 O GLN A 17 1.951 -26.708 -15.258 1.00 11.21 O ATOM 232 CB GLN A 17 0.307 -27.741 -12.622 1.00 61.24 C ATOM 233 CG GLN A 17 0.178 -28.260 -11.199 1.00 53.33 C ATOM 234 CD GLN A 17 -0.335 -29.685 -11.142 1.00 33.11 C ATOM 235 OE1 GLN A 17 -0.068 -30.490 -12.035 1.00 11.31 O ATOM 236 NE2 GLN A 17 -1.077 -30.006 -10.088 1.00 1.40 N ATOM 0 H GLN A 17 1.234 -25.944 -11.165 1.00 22.35 H new ATOM 0 HA GLN A 17 2.418 -27.801 -13.021 1.00 15.53 H new ATOM 0 HB2 GLN A 17 -0.506 -27.042 -12.820 1.00 61.24 H new ATOM 0 HB3 GLN A 17 0.188 -28.573 -13.316 1.00 61.24 H new ATOM 0 HG2 GLN A 17 1.150 -28.208 -10.708 1.00 53.33 H new ATOM 0 HG3 GLN A 17 -0.497 -27.612 -10.640 1.00 53.33 H new ATOM 0 HE21 GLN A 17 -1.274 -29.308 -9.371 1.00 1.40 H new ATOM 0 HE22 GLN A 17 -1.450 -30.951 -9.996 1.00 1.40 H new ATOM 245 N MET A 18 1.011 -25.029 -14.092 1.00 52.43 N ATOM 246 CA MET A 18 0.865 -24.158 -15.253 1.00 60.44 C ATOM 247 C MET A 18 2.229 -23.767 -15.814 1.00 54.11 C ATOM 248 O MET A 18 2.507 -23.972 -16.996 1.00 41.13 O ATOM 249 CB MET A 18 0.074 -22.903 -14.880 1.00 44.15 C ATOM 250 CG MET A 18 -1.263 -23.200 -14.222 1.00 71.21 C ATOM 251 SD MET A 18 -2.659 -22.930 -15.331 1.00 64.15 S ATOM 252 CE MET A 18 -2.195 -23.967 -16.717 1.00 14.42 C ATOM 0 H MET A 18 0.671 -24.628 -13.218 1.00 52.43 H new ATOM 0 HA MET A 18 0.320 -24.706 -16.021 1.00 60.44 H new ATOM 0 HB2 MET A 18 0.674 -22.293 -14.205 1.00 44.15 H new ATOM 0 HB3 MET A 18 -0.097 -22.311 -15.779 1.00 44.15 H new ATOM 0 HG2 MET A 18 -1.272 -24.234 -13.878 1.00 71.21 H new ATOM 0 HG3 MET A 18 -1.377 -22.570 -13.340 1.00 71.21 H new ATOM 0 HE1 MET A 18 -2.644 -23.576 -17.630 1.00 14.42 H new ATOM 0 HE2 MET A 18 -1.110 -23.973 -16.820 1.00 14.42 H new ATOM 0 HE3 MET A 18 -2.549 -24.984 -16.545 1.00 14.42 H new ATOM 262 N LEU A 19 3.075 -23.203 -14.959 1.00 53.24 N ATOM 263 CA LEU A 19 4.410 -22.782 -15.370 1.00 30.21 C ATOM 264 C LEU A 19 5.181 -23.944 -15.987 1.00 63.41 C ATOM 265 O LEU A 19 5.923 -23.767 -16.953 1.00 4.40 O ATOM 266 CB LEU A 19 5.180 -22.223 -14.173 1.00 3.53 C ATOM 267 CG LEU A 19 4.468 -21.138 -13.363 1.00 72.34 C ATOM 268 CD1 LEU A 19 5.055 -21.045 -11.964 1.00 14.35 C ATOM 269 CD2 LEU A 19 4.560 -19.795 -14.073 1.00 62.53 C ATOM 0 H LEU A 19 2.861 -23.027 -13.978 1.00 53.24 H new ATOM 0 HA LEU A 19 4.303 -22.001 -16.123 1.00 30.21 H new ATOM 0 HB2 LEU A 19 5.421 -23.049 -13.504 1.00 3.53 H new ATOM 0 HB3 LEU A 19 6.126 -21.818 -14.532 1.00 3.53 H new ATOM 0 HG LEU A 19 3.416 -21.408 -13.276 1.00 72.34 H new ATOM 0 HD11 LEU A 19 4.536 -20.268 -11.403 1.00 14.35 H new ATOM 0 HD12 LEU A 19 4.936 -22.001 -11.455 1.00 14.35 H new ATOM 0 HD13 LEU A 19 6.115 -20.799 -12.030 1.00 14.35 H new ATOM 0 HD21 LEU A 19 4.048 -19.035 -13.482 1.00 62.53 H new ATOM 0 HD22 LEU A 19 5.607 -19.517 -14.192 1.00 62.53 H new ATOM 0 HD23 LEU A 19 4.091 -19.869 -15.054 1.00 62.53 H new ATOM 281 N SER A 20 4.999 -25.134 -15.424 1.00 72.50 N ATOM 282 CA SER A 20 5.679 -26.326 -15.918 1.00 33.20 C ATOM 283 C SER A 20 5.041 -26.818 -17.214 1.00 11.32 C ATOM 284 O SER A 20 5.699 -27.446 -18.043 1.00 13.03 O ATOM 285 CB SER A 20 5.640 -27.435 -14.865 1.00 12.15 C ATOM 286 OG SER A 20 6.235 -28.624 -15.354 1.00 32.33 O ATOM 0 H SER A 20 4.386 -25.299 -14.625 1.00 72.50 H new ATOM 0 HA SER A 20 6.717 -26.063 -16.121 1.00 33.20 H new ATOM 0 HB2 SER A 20 6.162 -27.106 -13.967 1.00 12.15 H new ATOM 0 HB3 SER A 20 4.607 -27.633 -14.579 1.00 12.15 H new ATOM 0 HG SER A 20 6.199 -29.317 -14.662 1.00 32.33 H new ATOM 292 N MET A 21 3.755 -26.526 -17.381 1.00 31.55 N ATOM 293 CA MET A 21 3.027 -26.937 -18.576 1.00 24.53 C ATOM 294 C MET A 21 3.314 -25.993 -19.739 1.00 3.15 C ATOM 295 O MET A 21 3.204 -26.375 -20.903 1.00 1.32 O ATOM 296 CB MET A 21 1.524 -26.978 -18.295 1.00 40.40 C ATOM 297 CG MET A 21 0.995 -28.375 -18.015 1.00 3.14 C ATOM 298 SD MET A 21 -0.783 -28.398 -17.718 1.00 71.11 S ATOM 299 CE MET A 21 -0.924 -27.184 -16.409 1.00 0.01 C ATOM 0 H MET A 21 3.196 -26.007 -16.704 1.00 31.55 H new ATOM 0 HA MET A 21 3.365 -27.936 -18.851 1.00 24.53 H new ATOM 0 HB2 MET A 21 1.305 -26.338 -17.441 1.00 40.40 H new ATOM 0 HB3 MET A 21 0.992 -26.562 -19.150 1.00 40.40 H new ATOM 0 HG2 MET A 21 1.227 -29.023 -18.860 1.00 3.14 H new ATOM 0 HG3 MET A 21 1.510 -28.787 -17.147 1.00 3.14 H new ATOM 0 HE1 MET A 21 -1.967 -27.098 -16.103 1.00 0.01 H new ATOM 0 HE2 MET A 21 -0.320 -27.496 -15.557 1.00 0.01 H new ATOM 0 HE3 MET A 21 -0.571 -26.218 -16.769 1.00 0.01 H new ATOM 309 N GLY A 22 3.683 -24.757 -19.414 1.00 71.05 N ATOM 310 CA GLY A 22 3.979 -23.777 -20.443 1.00 62.54 C ATOM 311 C GLY A 22 3.154 -22.515 -20.297 1.00 11.44 C ATOM 312 O GLY A 22 2.554 -22.041 -21.262 1.00 0.54 O ATOM 0 H GLY A 22 3.782 -24.417 -18.457 1.00 71.05 H new ATOM 0 HA2 GLY A 22 5.038 -23.522 -20.403 1.00 62.54 H new ATOM 0 HA3 GLY A 22 3.794 -24.217 -21.423 1.00 62.54 H new ATOM 316 N PHE A 23 3.121 -21.968 -19.086 1.00 22.55 N ATOM 317 CA PHE A 23 2.361 -20.754 -18.815 1.00 33.02 C ATOM 318 C PHE A 23 3.147 -19.810 -17.910 1.00 63.01 C ATOM 319 O PHE A 23 4.288 -20.092 -17.543 1.00 11.30 O ATOM 320 CB PHE A 23 1.019 -21.101 -18.166 1.00 3.03 C ATOM 321 CG PHE A 23 0.086 -21.843 -19.079 1.00 33.24 C ATOM 322 CD1 PHE A 23 0.118 -23.227 -19.148 1.00 12.31 C ATOM 323 CD2 PHE A 23 -0.824 -21.158 -19.867 1.00 13.30 C ATOM 324 CE1 PHE A 23 -0.740 -23.912 -19.988 1.00 24.02 C ATOM 325 CE2 PHE A 23 -1.685 -21.838 -20.708 1.00 44.45 C ATOM 326 CZ PHE A 23 -1.643 -23.217 -20.768 1.00 42.20 C ATOM 0 H PHE A 23 3.612 -22.347 -18.276 1.00 22.55 H new ATOM 0 HA PHE A 23 2.179 -20.251 -19.764 1.00 33.02 H new ATOM 0 HB2 PHE A 23 1.200 -21.704 -17.276 1.00 3.03 H new ATOM 0 HB3 PHE A 23 0.536 -20.182 -17.835 1.00 3.03 H new ATOM 0 HD1 PHE A 23 0.821 -23.776 -18.539 1.00 12.31 H new ATOM 0 HD2 PHE A 23 -0.861 -20.080 -19.824 1.00 13.30 H new ATOM 0 HE1 PHE A 23 -0.704 -24.990 -20.034 1.00 24.02 H new ATOM 0 HE2 PHE A 23 -2.390 -21.291 -21.317 1.00 44.45 H new ATOM 0 HZ PHE A 23 -2.315 -23.751 -21.424 1.00 42.20 H new ATOM 336 N SER A 24 2.529 -18.688 -17.555 1.00 70.20 N ATOM 337 CA SER A 24 3.172 -17.700 -16.697 1.00 52.21 C ATOM 338 C SER A 24 2.132 -16.888 -15.930 1.00 24.21 C ATOM 339 O SER A 24 0.948 -17.223 -15.924 1.00 73.23 O ATOM 340 CB SER A 24 4.052 -16.766 -17.530 1.00 54.50 C ATOM 341 OG SER A 24 4.534 -17.419 -18.691 1.00 74.51 O ATOM 0 H SER A 24 1.584 -18.441 -17.848 1.00 70.20 H new ATOM 0 HA SER A 24 3.796 -18.230 -15.978 1.00 52.21 H new ATOM 0 HB2 SER A 24 3.481 -15.883 -17.817 1.00 54.50 H new ATOM 0 HB3 SER A 24 4.892 -16.421 -16.928 1.00 54.50 H new ATOM 0 HG SER A 24 5.092 -16.800 -19.206 1.00 74.51 H new ATOM 347 N ASP A 25 2.585 -15.820 -15.283 1.00 50.34 N ATOM 348 CA ASP A 25 1.695 -14.958 -14.513 1.00 63.41 C ATOM 349 C ASP A 25 1.903 -13.493 -14.883 1.00 1.02 C ATOM 350 O ASP A 25 1.637 -12.598 -14.082 1.00 13.31 O ATOM 351 CB ASP A 25 1.929 -15.157 -13.015 1.00 22.32 C ATOM 352 CG ASP A 25 3.312 -14.713 -12.581 1.00 22.23 C ATOM 353 OD1 ASP A 25 3.578 -13.493 -12.603 1.00 64.15 O ATOM 354 OD2 ASP A 25 4.128 -15.586 -12.217 1.00 42.34 O ATOM 0 H ASP A 25 3.563 -15.530 -15.276 1.00 50.34 H new ATOM 0 HA ASP A 25 0.667 -15.232 -14.752 1.00 63.41 H new ATOM 0 HB2 ASP A 25 1.179 -14.598 -12.456 1.00 22.32 H new ATOM 0 HB3 ASP A 25 1.794 -16.209 -12.766 1.00 22.32 H new ATOM 359 N GLU A 26 2.381 -13.257 -16.101 1.00 24.24 N ATOM 360 CA GLU A 26 2.627 -11.900 -16.575 1.00 35.23 C ATOM 361 C GLU A 26 1.367 -11.047 -16.456 1.00 2.51 C ATOM 362 O GLU A 26 0.353 -11.325 -17.094 1.00 40.32 O ATOM 363 CB GLU A 26 3.106 -11.923 -18.028 1.00 15.53 C ATOM 364 CG GLU A 26 4.330 -12.795 -18.252 1.00 15.53 C ATOM 365 CD GLU A 26 5.490 -12.027 -18.856 1.00 34.50 C ATOM 366 OE1 GLU A 26 5.245 -11.188 -19.748 1.00 73.30 O ATOM 367 OE2 GLU A 26 6.642 -12.266 -18.438 1.00 34.14 O ATOM 0 H GLU A 26 2.605 -13.987 -16.777 1.00 24.24 H new ATOM 0 HA GLU A 26 3.404 -11.459 -15.951 1.00 35.23 H new ATOM 0 HB2 GLU A 26 2.295 -12.280 -18.663 1.00 15.53 H new ATOM 0 HB3 GLU A 26 3.333 -10.905 -18.343 1.00 15.53 H new ATOM 0 HG2 GLU A 26 4.642 -13.229 -17.302 1.00 15.53 H new ATOM 0 HG3 GLU A 26 4.066 -13.624 -18.909 1.00 15.53 H new ATOM 374 N GLY A 27 1.441 -10.005 -15.633 1.00 13.05 N ATOM 375 CA GLY A 27 0.301 -9.127 -15.444 1.00 11.23 C ATOM 376 C GLY A 27 -0.562 -9.541 -14.268 1.00 70.45 C ATOM 377 O GLY A 27 -1.097 -8.696 -13.553 1.00 53.54 O ATOM 0 H GLY A 27 2.270 -9.754 -15.094 1.00 13.05 H new ATOM 0 HA2 GLY A 27 0.654 -8.107 -15.291 1.00 11.23 H new ATOM 0 HA3 GLY A 27 -0.304 -9.122 -16.351 1.00 11.23 H new ATOM 381 N GLY A 28 -0.699 -10.849 -14.069 1.00 11.12 N ATOM 382 CA GLY A 28 -1.506 -11.351 -12.972 1.00 61.21 C ATOM 383 C GLY A 28 -2.753 -12.069 -13.451 1.00 5.45 C ATOM 384 O GLY A 28 -3.826 -11.918 -12.867 1.00 41.41 O ATOM 0 H GLY A 28 -0.266 -11.569 -14.647 1.00 11.12 H new ATOM 0 HA2 GLY A 28 -0.908 -12.032 -12.367 1.00 61.21 H new ATOM 0 HA3 GLY A 28 -1.794 -10.521 -12.327 1.00 61.21 H new ATOM 388 N TRP A 29 -2.611 -12.850 -14.515 1.00 55.44 N ATOM 389 CA TRP A 29 -3.736 -13.592 -15.073 1.00 55.31 C ATOM 390 C TRP A 29 -3.835 -14.980 -14.450 1.00 54.21 C ATOM 391 O TRP A 29 -4.896 -15.607 -14.471 1.00 44.43 O ATOM 392 CB TRP A 29 -3.594 -13.710 -16.591 1.00 42.54 C ATOM 393 CG TRP A 29 -2.566 -14.714 -17.015 1.00 63.32 C ATOM 394 CD1 TRP A 29 -1.223 -14.505 -17.153 1.00 52.14 C ATOM 395 CD2 TRP A 29 -2.797 -16.085 -17.358 1.00 32.15 C ATOM 396 NE1 TRP A 29 -0.606 -15.663 -17.561 1.00 53.02 N ATOM 397 CE2 TRP A 29 -1.550 -16.647 -17.693 1.00 22.23 C ATOM 398 CE3 TRP A 29 -3.936 -16.893 -17.412 1.00 12.14 C ATOM 399 CZ2 TRP A 29 -1.413 -17.978 -18.077 1.00 23.40 C ATOM 400 CZ3 TRP A 29 -3.798 -18.214 -17.793 1.00 55.24 C ATOM 401 CH2 TRP A 29 -2.545 -18.746 -18.121 1.00 65.23 C ATOM 0 H TRP A 29 -1.729 -12.986 -15.009 1.00 55.44 H new ATOM 0 HA TRP A 29 -4.650 -13.044 -14.843 1.00 55.31 H new ATOM 0 HB2 TRP A 29 -4.558 -13.985 -17.019 1.00 42.54 H new ATOM 0 HB3 TRP A 29 -3.330 -12.735 -17.001 1.00 42.54 H new ATOM 0 HD1 TRP A 29 -0.720 -13.567 -16.968 1.00 52.14 H new ATOM 0 HE1 TRP A 29 0.393 -15.772 -17.737 1.00 53.02 H new ATOM 0 HE3 TRP A 29 -4.907 -16.492 -17.160 1.00 12.14 H new ATOM 0 HZ2 TRP A 29 -0.448 -18.390 -18.331 1.00 23.40 H new ATOM 0 HZ3 TRP A 29 -4.672 -18.847 -17.839 1.00 55.24 H new ATOM 0 HH2 TRP A 29 -2.470 -19.783 -18.414 1.00 65.23 H new ATOM 412 N LEU A 30 -2.726 -15.455 -13.896 1.00 23.12 N ATOM 413 CA LEU A 30 -2.688 -16.770 -13.266 1.00 21.42 C ATOM 414 C LEU A 30 -2.663 -16.646 -11.746 1.00 4.42 C ATOM 415 O LEU A 30 -2.615 -17.647 -11.030 1.00 13.40 O ATOM 416 CB LEU A 30 -1.464 -17.552 -13.745 1.00 64.22 C ATOM 417 CG LEU A 30 -1.518 -19.068 -13.553 1.00 22.10 C ATOM 418 CD1 LEU A 30 -2.628 -19.674 -14.398 1.00 23.02 C ATOM 419 CD2 LEU A 30 -0.177 -19.698 -13.900 1.00 24.01 C ATOM 0 H LEU A 30 -1.841 -14.949 -13.870 1.00 23.12 H new ATOM 0 HA LEU A 30 -3.591 -17.309 -13.553 1.00 21.42 H new ATOM 0 HB2 LEU A 30 -1.318 -17.345 -14.805 1.00 64.22 H new ATOM 0 HB3 LEU A 30 -0.587 -17.171 -13.222 1.00 64.22 H new ATOM 0 HG LEU A 30 -1.733 -19.274 -12.505 1.00 22.10 H new ATOM 0 HD11 LEU A 30 -2.651 -20.753 -14.248 1.00 23.02 H new ATOM 0 HD12 LEU A 30 -3.586 -19.246 -14.102 1.00 23.02 H new ATOM 0 HD13 LEU A 30 -2.444 -19.457 -15.450 1.00 23.02 H new ATOM 0 HD21 LEU A 30 -0.234 -20.777 -13.757 1.00 24.01 H new ATOM 0 HD22 LEU A 30 0.068 -19.482 -14.940 1.00 24.01 H new ATOM 0 HD23 LEU A 30 0.597 -19.287 -13.252 1.00 24.01 H new ATOM 431 N THR A 31 -2.697 -15.409 -11.258 1.00 25.31 N ATOM 432 CA THR A 31 -2.679 -15.153 -9.823 1.00 64.13 C ATOM 433 C THR A 31 -4.093 -15.079 -9.260 1.00 73.52 C ATOM 434 O THR A 31 -4.304 -15.257 -8.060 1.00 61.44 O ATOM 435 CB THR A 31 -1.939 -13.842 -9.496 1.00 31.10 C ATOM 436 OG1 THR A 31 -1.818 -13.689 -8.077 1.00 55.24 O ATOM 437 CG2 THR A 31 -2.675 -12.646 -10.080 1.00 1.53 C ATOM 0 H THR A 31 -2.737 -14.569 -11.836 1.00 25.31 H new ATOM 0 HA THR A 31 -2.150 -15.986 -9.360 1.00 64.13 H new ATOM 0 HB THR A 31 -0.945 -13.890 -9.941 1.00 31.10 H new ATOM 0 HG1 THR A 31 -1.345 -12.854 -7.877 1.00 55.24 H new ATOM 0 HG21 THR A 31 -2.134 -11.732 -9.836 1.00 1.53 H new ATOM 0 HG22 THR A 31 -2.740 -12.752 -11.163 1.00 1.53 H new ATOM 0 HG23 THR A 31 -3.679 -12.596 -9.660 1.00 1.53 H new ATOM 445 N ARG A 32 -5.060 -14.817 -10.134 1.00 1.03 N ATOM 446 CA ARG A 32 -6.455 -14.719 -9.723 1.00 33.53 C ATOM 447 C ARG A 32 -7.302 -15.784 -10.415 1.00 25.14 C ATOM 448 O ARG A 32 -8.337 -16.203 -9.896 1.00 30.42 O ATOM 449 CB ARG A 32 -7.007 -13.328 -10.040 1.00 63.44 C ATOM 450 CG ARG A 32 -6.194 -12.197 -9.431 1.00 74.41 C ATOM 451 CD ARG A 32 -6.849 -11.659 -8.169 1.00 10.33 C ATOM 452 NE ARG A 32 -7.232 -10.256 -8.306 1.00 64.03 N ATOM 453 CZ ARG A 32 -6.362 -9.252 -8.292 1.00 63.21 C ATOM 454 NH1 ARG A 32 -5.066 -9.495 -8.148 1.00 33.23 N ATOM 455 NH2 ARG A 32 -6.787 -8.002 -8.423 1.00 71.22 N ATOM 0 H ARG A 32 -4.903 -14.669 -11.131 1.00 1.03 H new ATOM 0 HA ARG A 32 -6.502 -14.884 -8.647 1.00 33.53 H new ATOM 0 HB2 ARG A 32 -7.041 -13.198 -11.122 1.00 63.44 H new ATOM 0 HB3 ARG A 32 -8.033 -13.262 -9.678 1.00 63.44 H new ATOM 0 HG2 ARG A 32 -5.190 -12.553 -9.198 1.00 74.41 H new ATOM 0 HG3 ARG A 32 -6.086 -11.392 -10.158 1.00 74.41 H new ATOM 0 HD2 ARG A 32 -7.732 -12.255 -7.937 1.00 10.33 H new ATOM 0 HD3 ARG A 32 -6.162 -11.767 -7.330 1.00 10.33 H new ATOM 0 HE ARG A 32 -8.221 -10.035 -8.419 1.00 64.03 H new ATOM 0 HH11 ARG A 32 -4.735 -10.455 -8.048 1.00 33.23 H new ATOM 0 HH12 ARG A 32 -4.400 -8.722 -8.138 1.00 33.23 H new ATOM 0 HH21 ARG A 32 -7.783 -7.811 -8.535 1.00 71.22 H new ATOM 0 HH22 ARG A 32 -6.118 -7.232 -8.412 1.00 71.22 H new ATOM 469 N LEU A 33 -6.855 -16.217 -11.588 1.00 44.13 N ATOM 470 CA LEU A 33 -7.571 -17.233 -12.352 1.00 44.44 C ATOM 471 C LEU A 33 -7.826 -18.473 -11.503 1.00 72.51 C ATOM 472 O LEU A 33 -8.972 -18.881 -11.309 1.00 13.11 O ATOM 473 CB LEU A 33 -6.777 -17.612 -13.604 1.00 4.33 C ATOM 474 CG LEU A 33 -7.130 -18.956 -14.241 1.00 40.23 C ATOM 475 CD1 LEU A 33 -8.614 -19.019 -14.566 1.00 53.44 C ATOM 476 CD2 LEU A 33 -6.297 -19.187 -15.494 1.00 35.21 C ATOM 0 H LEU A 33 -6.000 -15.881 -12.031 1.00 44.13 H new ATOM 0 HA LEU A 33 -8.533 -16.817 -12.652 1.00 44.44 H new ATOM 0 HB2 LEU A 33 -6.919 -16.830 -14.350 1.00 4.33 H new ATOM 0 HB3 LEU A 33 -5.717 -17.621 -13.349 1.00 4.33 H new ATOM 0 HG LEU A 33 -6.902 -19.747 -13.526 1.00 40.23 H new ATOM 0 HD11 LEU A 33 -8.847 -19.983 -15.019 1.00 53.44 H new ATOM 0 HD12 LEU A 33 -9.192 -18.899 -13.650 1.00 53.44 H new ATOM 0 HD13 LEU A 33 -8.868 -18.220 -15.263 1.00 53.44 H new ATOM 0 HD21 LEU A 33 -6.561 -20.148 -15.935 1.00 35.21 H new ATOM 0 HD22 LEU A 33 -6.494 -18.392 -16.213 1.00 35.21 H new ATOM 0 HD23 LEU A 33 -5.239 -19.186 -15.233 1.00 35.21 H new ATOM 488 N LEU A 34 -6.752 -19.069 -10.997 1.00 61.34 N ATOM 489 CA LEU A 34 -6.859 -20.263 -10.166 1.00 33.20 C ATOM 490 C LEU A 34 -7.854 -20.048 -9.030 1.00 2.23 C ATOM 491 O LEU A 34 -8.702 -20.899 -8.766 1.00 31.34 O ATOM 492 CB LEU A 34 -5.490 -20.637 -9.596 1.00 43.24 C ATOM 493 CG LEU A 34 -4.537 -21.354 -10.554 1.00 14.10 C ATOM 494 CD1 LEU A 34 -5.211 -22.574 -11.162 1.00 22.51 C ATOM 495 CD2 LEU A 34 -4.064 -20.405 -11.645 1.00 42.12 C ATOM 0 H LEU A 34 -5.797 -18.745 -11.148 1.00 61.34 H new ATOM 0 HA LEU A 34 -7.220 -21.079 -10.791 1.00 33.20 H new ATOM 0 HB2 LEU A 34 -5.004 -19.727 -9.245 1.00 43.24 H new ATOM 0 HB3 LEU A 34 -5.643 -21.273 -8.724 1.00 43.24 H new ATOM 0 HG LEU A 34 -3.667 -21.688 -9.989 1.00 14.10 H new ATOM 0 HD11 LEU A 34 -4.519 -23.072 -11.841 1.00 22.51 H new ATOM 0 HD12 LEU A 34 -5.500 -23.263 -10.369 1.00 22.51 H new ATOM 0 HD13 LEU A 34 -6.098 -22.263 -11.713 1.00 22.51 H new ATOM 0 HD21 LEU A 34 -3.387 -20.932 -12.317 1.00 42.12 H new ATOM 0 HD22 LEU A 34 -4.923 -20.040 -12.208 1.00 42.12 H new ATOM 0 HD23 LEU A 34 -3.542 -19.562 -11.193 1.00 42.12 H new ATOM 507 N GLN A 35 -7.744 -18.903 -8.363 1.00 22.31 N ATOM 508 CA GLN A 35 -8.635 -18.576 -7.256 1.00 42.11 C ATOM 509 C GLN A 35 -10.095 -18.746 -7.664 1.00 5.03 C ATOM 510 O GLN A 35 -10.902 -19.291 -6.910 1.00 1.30 O ATOM 511 CB GLN A 35 -8.389 -17.142 -6.783 1.00 21.34 C ATOM 512 CG GLN A 35 -7.003 -16.924 -6.197 1.00 31.32 C ATOM 513 CD GLN A 35 -6.843 -15.552 -5.572 1.00 63.25 C ATOM 514 OE1 GLN A 35 -7.826 -14.874 -5.274 1.00 74.33 O ATOM 515 NE2 GLN A 35 -5.598 -15.135 -5.371 1.00 32.11 N ATOM 0 H GLN A 35 -7.047 -18.187 -8.570 1.00 22.31 H new ATOM 0 HA GLN A 35 -8.423 -19.263 -6.437 1.00 42.11 H new ATOM 0 HB2 GLN A 35 -8.530 -16.462 -7.623 1.00 21.34 H new ATOM 0 HB3 GLN A 35 -9.136 -16.882 -6.033 1.00 21.34 H new ATOM 0 HG2 GLN A 35 -6.807 -17.687 -5.444 1.00 31.32 H new ATOM 0 HG3 GLN A 35 -6.257 -17.051 -6.981 1.00 31.32 H new ATOM 0 HE21 GLN A 35 -4.812 -15.730 -5.633 1.00 32.11 H new ATOM 0 HE22 GLN A 35 -5.428 -14.220 -4.954 1.00 32.11 H new ATOM 524 N THR A 36 -10.428 -18.276 -8.862 1.00 10.12 N ATOM 525 CA THR A 36 -11.791 -18.374 -9.369 1.00 64.43 C ATOM 526 C THR A 36 -12.124 -19.805 -9.777 1.00 24.13 C ATOM 527 O THR A 36 -13.292 -20.189 -9.836 1.00 61.05 O ATOM 528 CB THR A 36 -12.009 -17.445 -10.578 1.00 4.41 C ATOM 529 OG1 THR A 36 -11.414 -18.015 -11.749 1.00 24.44 O ATOM 530 CG2 THR A 36 -11.411 -16.070 -10.318 1.00 20.11 C ATOM 0 H THR A 36 -9.772 -17.824 -9.499 1.00 10.12 H new ATOM 0 HA THR A 36 -12.452 -18.066 -8.559 1.00 64.43 H new ATOM 0 HB THR A 36 -13.082 -17.335 -10.734 1.00 4.41 H new ATOM 0 HG1 THR A 36 -10.481 -18.249 -11.561 1.00 24.44 H new ATOM 0 HG21 THR A 36 -11.577 -15.431 -11.185 1.00 20.11 H new ATOM 0 HG22 THR A 36 -11.887 -15.626 -9.444 1.00 20.11 H new ATOM 0 HG23 THR A 36 -10.340 -16.167 -10.138 1.00 20.11 H new ATOM 538 N LYS A 37 -11.090 -20.592 -10.056 1.00 3.42 N ATOM 539 CA LYS A 37 -11.271 -21.982 -10.456 1.00 14.11 C ATOM 540 C LYS A 37 -11.024 -22.923 -9.281 1.00 43.03 C ATOM 541 O LYS A 37 -10.873 -24.130 -9.463 1.00 24.34 O ATOM 542 CB LYS A 37 -10.328 -22.330 -11.609 1.00 43.45 C ATOM 543 CG LYS A 37 -10.472 -21.412 -12.811 1.00 52.01 C ATOM 544 CD LYS A 37 -11.909 -21.361 -13.304 1.00 45.22 C ATOM 545 CE LYS A 37 -11.980 -20.977 -14.774 1.00 62.13 C ATOM 546 NZ LYS A 37 -12.816 -21.930 -15.556 1.00 44.23 N ATOM 0 H LYS A 37 -10.117 -20.290 -10.012 1.00 3.42 H new ATOM 0 HA LYS A 37 -12.302 -22.107 -10.788 1.00 14.11 H new ATOM 0 HB2 LYS A 37 -9.299 -22.288 -11.251 1.00 43.45 H new ATOM 0 HB3 LYS A 37 -10.515 -23.357 -11.922 1.00 43.45 H new ATOM 0 HG2 LYS A 37 -10.142 -20.408 -12.545 1.00 52.01 H new ATOM 0 HG3 LYS A 37 -9.823 -21.759 -13.615 1.00 52.01 H new ATOM 0 HD2 LYS A 37 -12.380 -22.333 -13.158 1.00 45.22 H new ATOM 0 HD3 LYS A 37 -12.473 -20.641 -12.711 1.00 45.22 H new ATOM 0 HE2 LYS A 37 -12.391 -19.972 -14.867 1.00 62.13 H new ATOM 0 HE3 LYS A 37 -10.973 -20.950 -15.191 1.00 62.13 H new ATOM 0 HZ1 LYS A 37 -13.121 -21.478 -16.442 1.00 44.23 H new ATOM 0 HZ2 LYS A 37 -12.260 -22.781 -15.775 1.00 44.23 H new ATOM 0 HZ3 LYS A 37 -13.652 -22.197 -14.998 1.00 44.23 H new ATOM 560 N ASN A 38 -10.985 -22.362 -8.077 1.00 41.32 N ATOM 561 CA ASN A 38 -10.757 -23.152 -6.873 1.00 4.43 C ATOM 562 C ASN A 38 -9.448 -23.930 -6.972 1.00 40.43 C ATOM 563 O ASN A 38 -9.388 -25.111 -6.630 1.00 53.21 O ATOM 564 CB ASN A 38 -11.921 -24.117 -6.643 1.00 22.42 C ATOM 565 CG ASN A 38 -12.036 -24.550 -5.194 1.00 1.32 C ATOM 566 OD1 ASN A 38 -11.752 -25.698 -4.853 1.00 2.15 O ATOM 567 ND2 ASN A 38 -12.455 -23.629 -4.333 1.00 43.03 N ATOM 0 H ASN A 38 -11.108 -21.363 -7.909 1.00 41.32 H new ATOM 0 HA ASN A 38 -10.689 -22.468 -6.027 1.00 4.43 H new ATOM 0 HB2 ASN A 38 -12.851 -23.640 -6.952 1.00 22.42 H new ATOM 0 HB3 ASN A 38 -11.790 -24.997 -7.273 1.00 22.42 H new ATOM 0 HD21 ASN A 38 -12.552 -23.862 -3.345 1.00 43.03 H new ATOM 0 HD22 ASN A 38 -12.679 -22.689 -4.660 1.00 43.03 H new ATOM 574 N TYR A 39 -8.402 -23.259 -7.442 1.00 70.13 N ATOM 575 CA TYR A 39 -7.094 -23.887 -7.589 1.00 34.43 C ATOM 576 C TYR A 39 -7.197 -25.176 -8.399 1.00 61.00 C ATOM 577 O TYR A 39 -6.911 -26.263 -7.896 1.00 52.05 O ATOM 578 CB TYR A 39 -6.490 -24.182 -6.215 1.00 33.42 C ATOM 579 CG TYR A 39 -6.700 -23.072 -5.210 1.00 70.21 C ATOM 580 CD1 TYR A 39 -6.296 -21.772 -5.488 1.00 23.13 C ATOM 581 CD2 TYR A 39 -7.301 -23.323 -3.983 1.00 74.20 C ATOM 582 CE1 TYR A 39 -6.485 -20.754 -4.573 1.00 24.54 C ATOM 583 CE2 TYR A 39 -7.496 -22.312 -3.063 1.00 4.44 C ATOM 584 CZ TYR A 39 -7.085 -21.029 -3.362 1.00 34.23 C ATOM 585 OH TYR A 39 -7.276 -20.019 -2.447 1.00 22.01 O ATOM 0 H TYR A 39 -8.434 -22.280 -7.728 1.00 70.13 H new ATOM 0 HA TYR A 39 -6.444 -23.194 -8.123 1.00 34.43 H new ATOM 0 HB2 TYR A 39 -6.927 -25.101 -5.825 1.00 33.42 H new ATOM 0 HB3 TYR A 39 -5.421 -24.361 -6.328 1.00 33.42 H new ATOM 0 HD1 TYR A 39 -5.826 -21.553 -6.436 1.00 23.13 H new ATOM 0 HD2 TYR A 39 -7.621 -24.326 -3.744 1.00 74.20 H new ATOM 0 HE1 TYR A 39 -6.165 -19.749 -4.805 1.00 24.54 H new ATOM 0 HE2 TYR A 39 -7.967 -22.524 -2.115 1.00 4.44 H new ATOM 0 HH TYR A 39 -7.712 -20.380 -1.647 1.00 22.01 H new ATOM 595 N ASP A 40 -7.606 -25.045 -9.656 1.00 71.41 N ATOM 596 CA ASP A 40 -7.745 -26.198 -10.539 1.00 32.15 C ATOM 597 C ASP A 40 -6.711 -26.152 -11.659 1.00 74.34 C ATOM 598 O ASP A 40 -6.306 -25.076 -12.100 1.00 34.04 O ATOM 599 CB ASP A 40 -9.155 -26.247 -11.130 1.00 21.42 C ATOM 600 CG ASP A 40 -10.027 -27.291 -10.460 1.00 54.11 C ATOM 601 OD1 ASP A 40 -10.635 -26.974 -9.416 1.00 62.32 O ATOM 602 OD2 ASP A 40 -10.102 -28.424 -10.979 1.00 71.35 O ATOM 0 H ASP A 40 -7.847 -24.152 -10.087 1.00 71.41 H new ATOM 0 HA ASP A 40 -7.575 -27.099 -9.950 1.00 32.15 H new ATOM 0 HB2 ASP A 40 -9.623 -25.268 -11.029 1.00 21.42 H new ATOM 0 HB3 ASP A 40 -9.092 -26.461 -12.197 1.00 21.42 H new ATOM 607 N ILE A 41 -6.288 -27.326 -12.115 1.00 73.43 N ATOM 608 CA ILE A 41 -5.302 -27.420 -13.184 1.00 41.34 C ATOM 609 C ILE A 41 -5.969 -27.713 -14.524 1.00 12.21 C ATOM 610 O ILE A 41 -5.451 -27.351 -15.580 1.00 34.04 O ATOM 611 CB ILE A 41 -4.258 -28.514 -12.893 1.00 40.13 C ATOM 612 CG1 ILE A 41 -3.847 -28.479 -11.420 1.00 14.42 C ATOM 613 CG2 ILE A 41 -3.043 -28.339 -13.792 1.00 3.02 C ATOM 614 CD1 ILE A 41 -3.268 -27.150 -10.986 1.00 31.44 C ATOM 0 H ILE A 41 -6.613 -28.226 -11.761 1.00 73.43 H new ATOM 0 HA ILE A 41 -4.800 -26.454 -13.235 1.00 41.34 H new ATOM 0 HB ILE A 41 -4.704 -29.486 -13.103 1.00 40.13 H new ATOM 0 HG12 ILE A 41 -4.716 -28.706 -10.803 1.00 14.42 H new ATOM 0 HG13 ILE A 41 -3.112 -29.263 -11.237 1.00 14.42 H new ATOM 0 HG21 ILE A 41 -2.314 -29.120 -13.574 1.00 3.02 H new ATOM 0 HG22 ILE A 41 -3.349 -28.409 -14.836 1.00 3.02 H new ATOM 0 HG23 ILE A 41 -2.594 -27.362 -13.611 1.00 3.02 H new ATOM 0 HD11 ILE A 41 -2.999 -27.198 -9.931 1.00 31.44 H new ATOM 0 HD12 ILE A 41 -2.379 -26.930 -11.578 1.00 31.44 H new ATOM 0 HD13 ILE A 41 -4.008 -26.364 -11.137 1.00 31.44 H new ATOM 626 N GLY A 42 -7.124 -28.370 -14.473 1.00 21.04 N ATOM 627 CA GLY A 42 -7.845 -28.699 -15.688 1.00 63.34 C ATOM 628 C GLY A 42 -8.764 -27.581 -16.138 1.00 72.31 C ATOM 629 O GLY A 42 -9.157 -27.522 -17.303 1.00 21.32 O ATOM 0 H GLY A 42 -7.573 -28.680 -13.611 1.00 21.04 H new ATOM 0 HA2 GLY A 42 -7.131 -28.920 -16.482 1.00 63.34 H new ATOM 0 HA3 GLY A 42 -8.431 -29.604 -15.525 1.00 63.34 H new ATOM 633 N ALA A 43 -9.110 -26.693 -15.212 1.00 42.10 N ATOM 634 CA ALA A 43 -9.989 -25.571 -15.520 1.00 23.44 C ATOM 635 C ALA A 43 -9.187 -24.346 -15.945 1.00 22.13 C ATOM 636 O ALA A 43 -9.649 -23.540 -16.751 1.00 43.43 O ATOM 637 CB ALA A 43 -10.863 -25.242 -14.319 1.00 54.31 C ATOM 0 H ALA A 43 -8.795 -26.729 -14.242 1.00 42.10 H new ATOM 0 HA ALA A 43 -10.629 -25.860 -16.354 1.00 23.44 H new ATOM 0 HB1 ALA A 43 -11.514 -24.403 -14.562 1.00 54.31 H new ATOM 0 HB2 ALA A 43 -11.470 -26.110 -14.062 1.00 54.31 H new ATOM 0 HB3 ALA A 43 -10.231 -24.977 -13.471 1.00 54.31 H new ATOM 643 N ALA A 44 -7.984 -24.213 -15.396 1.00 44.53 N ATOM 644 CA ALA A 44 -7.117 -23.086 -15.720 1.00 52.11 C ATOM 645 C ALA A 44 -6.493 -23.253 -17.101 1.00 41.22 C ATOM 646 O ALA A 44 -6.109 -22.274 -17.743 1.00 3.24 O ATOM 647 CB ALA A 44 -6.033 -22.933 -14.664 1.00 30.24 C ATOM 0 H ALA A 44 -7.588 -24.871 -14.725 1.00 44.53 H new ATOM 0 HA ALA A 44 -7.727 -22.182 -15.732 1.00 52.11 H new ATOM 0 HB1 ALA A 44 -5.393 -22.088 -14.919 1.00 30.24 H new ATOM 0 HB2 ALA A 44 -6.494 -22.759 -13.692 1.00 30.24 H new ATOM 0 HB3 ALA A 44 -5.434 -23.842 -14.623 1.00 30.24 H new ATOM 653 N LEU A 45 -6.394 -24.498 -17.554 1.00 4.31 N ATOM 654 CA LEU A 45 -5.815 -24.793 -18.860 1.00 23.10 C ATOM 655 C LEU A 45 -6.761 -24.377 -19.982 1.00 21.13 C ATOM 656 O LEU A 45 -6.344 -24.207 -21.128 1.00 12.45 O ATOM 657 CB LEU A 45 -5.496 -26.285 -18.973 1.00 12.01 C ATOM 658 CG LEU A 45 -4.198 -26.746 -18.310 1.00 22.21 C ATOM 659 CD1 LEU A 45 -4.136 -28.265 -18.256 1.00 41.24 C ATOM 660 CD2 LEU A 45 -2.992 -26.187 -19.052 1.00 33.23 C ATOM 0 H LEU A 45 -6.707 -25.319 -17.036 1.00 4.31 H new ATOM 0 HA LEU A 45 -4.892 -24.222 -18.958 1.00 23.10 H new ATOM 0 HB2 LEU A 45 -6.322 -26.847 -18.537 1.00 12.01 H new ATOM 0 HB3 LEU A 45 -5.454 -26.548 -20.030 1.00 12.01 H new ATOM 0 HG LEU A 45 -4.179 -26.366 -17.289 1.00 22.21 H new ATOM 0 HD11 LEU A 45 -3.205 -28.574 -17.781 1.00 41.24 H new ATOM 0 HD12 LEU A 45 -4.981 -28.643 -17.680 1.00 41.24 H new ATOM 0 HD13 LEU A 45 -4.178 -28.667 -19.268 1.00 41.24 H new ATOM 0 HD21 LEU A 45 -2.077 -26.525 -18.566 1.00 33.23 H new ATOM 0 HD22 LEU A 45 -3.006 -26.537 -20.084 1.00 33.23 H new ATOM 0 HD23 LEU A 45 -3.029 -25.098 -19.038 1.00 33.23 H new ATOM 672 N ASP A 46 -8.035 -24.213 -19.643 1.00 70.45 N ATOM 673 CA ASP A 46 -9.040 -23.814 -20.621 1.00 54.23 C ATOM 674 C ASP A 46 -9.492 -22.377 -20.381 1.00 5.45 C ATOM 675 O ASP A 46 -10.604 -21.994 -20.744 1.00 14.02 O ATOM 676 CB ASP A 46 -10.244 -24.756 -20.561 1.00 42.04 C ATOM 677 CG ASP A 46 -10.629 -25.290 -21.927 1.00 34.12 C ATOM 678 OD1 ASP A 46 -9.717 -25.608 -22.718 1.00 54.03 O ATOM 679 OD2 ASP A 46 -11.843 -25.390 -22.204 1.00 51.43 O ATOM 0 H ASP A 46 -8.396 -24.350 -18.699 1.00 70.45 H new ATOM 0 HA ASP A 46 -8.590 -23.874 -21.612 1.00 54.23 H new ATOM 0 HB2 ASP A 46 -10.016 -25.591 -19.899 1.00 42.04 H new ATOM 0 HB3 ASP A 46 -11.094 -24.228 -20.128 1.00 42.04 H new ATOM 684 N THR A 47 -8.620 -21.583 -19.764 1.00 74.53 N ATOM 685 CA THR A 47 -8.929 -20.189 -19.473 1.00 34.43 C ATOM 686 C THR A 47 -8.021 -19.249 -20.256 1.00 64.23 C ATOM 687 O THR A 47 -8.060 -18.033 -20.068 1.00 24.04 O ATOM 688 CB THR A 47 -8.789 -19.886 -17.969 1.00 54.41 C ATOM 689 OG1 THR A 47 -9.347 -20.956 -17.199 1.00 75.10 O ATOM 690 CG2 THR A 47 -9.487 -18.581 -17.613 1.00 65.14 C ATOM 0 H THR A 47 -7.695 -21.883 -19.457 1.00 74.53 H new ATOM 0 HA THR A 47 -9.963 -20.024 -19.775 1.00 34.43 H new ATOM 0 HB THR A 47 -7.728 -19.788 -17.738 1.00 54.41 H new ATOM 0 HG1 THR A 47 -8.904 -21.797 -17.438 1.00 75.10 H new ATOM 0 HG21 THR A 47 -9.375 -18.388 -16.546 1.00 65.14 H new ATOM 0 HG22 THR A 47 -9.040 -17.763 -18.179 1.00 65.14 H new ATOM 0 HG23 THR A 47 -10.546 -18.656 -17.859 1.00 65.14 H new ATOM 698 N ILE A 48 -7.204 -19.820 -21.136 1.00 12.32 N ATOM 699 CA ILE A 48 -6.287 -19.031 -21.949 1.00 60.21 C ATOM 700 C ILE A 48 -6.710 -19.034 -23.414 1.00 53.31 C ATOM 701 O ILE A 48 -6.471 -18.069 -24.140 1.00 74.44 O ATOM 702 CB ILE A 48 -4.844 -19.559 -21.842 1.00 50.15 C ATOM 703 CG1 ILE A 48 -4.632 -20.258 -20.498 1.00 63.54 C ATOM 704 CG2 ILE A 48 -3.850 -18.421 -22.016 1.00 44.33 C ATOM 705 CD1 ILE A 48 -4.958 -21.735 -20.528 1.00 21.33 C ATOM 0 H ILE A 48 -7.159 -20.825 -21.304 1.00 12.32 H new ATOM 0 HA ILE A 48 -6.322 -18.011 -21.565 1.00 60.21 H new ATOM 0 HB ILE A 48 -4.678 -20.285 -22.638 1.00 50.15 H new ATOM 0 HG12 ILE A 48 -3.594 -20.129 -20.190 1.00 63.54 H new ATOM 0 HG13 ILE A 48 -5.251 -19.773 -19.743 1.00 63.54 H new ATOM 0 HG21 ILE A 48 -2.835 -18.810 -21.938 1.00 44.33 H new ATOM 0 HG22 ILE A 48 -3.989 -17.963 -22.995 1.00 44.33 H new ATOM 0 HG23 ILE A 48 -4.013 -17.674 -21.240 1.00 44.33 H new ATOM 0 HD11 ILE A 48 -4.785 -22.166 -19.542 1.00 21.33 H new ATOM 0 HD12 ILE A 48 -6.003 -21.871 -20.805 1.00 21.33 H new ATOM 0 HD13 ILE A 48 -4.321 -22.233 -21.259 1.00 21.33 H new ATOM 717 N GLN A 49 -7.341 -20.123 -23.840 1.00 73.11 N ATOM 718 CA GLN A 49 -7.799 -20.250 -25.219 1.00 32.23 C ATOM 719 C GLN A 49 -8.615 -19.031 -25.636 1.00 33.22 C ATOM 720 O GLN A 49 -8.469 -18.525 -26.748 1.00 43.44 O ATOM 721 CB GLN A 49 -8.636 -21.520 -25.386 1.00 25.05 C ATOM 722 CG GLN A 49 -9.653 -21.728 -24.276 1.00 35.31 C ATOM 723 CD GLN A 49 -10.599 -22.879 -24.560 1.00 12.51 C ATOM 724 OE1 GLN A 49 -10.402 -23.641 -25.507 1.00 4.44 O ATOM 725 NE2 GLN A 49 -11.635 -23.010 -23.739 1.00 24.40 N ATOM 0 H GLN A 49 -7.547 -20.930 -23.251 1.00 73.11 H new ATOM 0 HA GLN A 49 -6.921 -20.314 -25.862 1.00 32.23 H new ATOM 0 HB2 GLN A 49 -9.158 -21.478 -26.342 1.00 25.05 H new ATOM 0 HB3 GLN A 49 -7.970 -22.382 -25.423 1.00 25.05 H new ATOM 0 HG2 GLN A 49 -9.129 -21.916 -23.339 1.00 35.31 H new ATOM 0 HG3 GLN A 49 -10.230 -20.813 -24.141 1.00 35.31 H new ATOM 0 HE21 GLN A 49 -11.760 -22.356 -22.967 1.00 24.40 H new ATOM 0 HE22 GLN A 49 -12.306 -23.765 -23.881 1.00 24.40 H new ATOM 734 N TYR A 50 -9.475 -18.565 -24.737 1.00 20.33 N ATOM 735 CA TYR A 50 -10.317 -17.407 -25.013 1.00 22.25 C ATOM 736 C TYR A 50 -11.086 -16.983 -23.765 1.00 21.30 C ATOM 737 O TYR A 50 -11.552 -17.822 -22.994 1.00 64.41 O ATOM 738 CB TYR A 50 -11.295 -17.720 -26.147 1.00 4.45 C ATOM 739 CG TYR A 50 -12.330 -18.760 -25.784 1.00 21.21 C ATOM 740 CD1 TYR A 50 -13.491 -18.408 -25.107 1.00 42.40 C ATOM 741 CD2 TYR A 50 -12.147 -20.096 -26.119 1.00 73.24 C ATOM 742 CE1 TYR A 50 -14.439 -19.355 -24.773 1.00 62.21 C ATOM 743 CE2 TYR A 50 -13.091 -21.050 -25.791 1.00 23.51 C ATOM 744 CZ TYR A 50 -14.234 -20.675 -25.117 1.00 74.24 C ATOM 745 OH TYR A 50 -15.177 -21.622 -24.788 1.00 11.11 O ATOM 0 H TYR A 50 -9.607 -18.971 -23.811 1.00 20.33 H new ATOM 0 HA TYR A 50 -9.671 -16.583 -25.317 1.00 22.25 H new ATOM 0 HB2 TYR A 50 -11.803 -16.802 -26.441 1.00 4.45 H new ATOM 0 HB3 TYR A 50 -10.733 -18.066 -27.015 1.00 4.45 H new ATOM 0 HD1 TYR A 50 -13.655 -17.375 -24.837 1.00 42.40 H new ATOM 0 HD2 TYR A 50 -11.252 -20.394 -26.645 1.00 73.24 H new ATOM 0 HE1 TYR A 50 -15.335 -19.064 -24.246 1.00 62.21 H new ATOM 0 HE2 TYR A 50 -12.935 -22.084 -26.061 1.00 23.51 H new ATOM 0 HH TYR A 50 -14.881 -22.502 -25.103 1.00 11.11 H new