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 -130:sc= -3.6! (180deg=-2.96!) USER MOD Set 1.2: A 21 MET CE :methyl 178:sc= -3.65 (180deg=-3.69) USER MOD Single : A 14 SER OG : rot -113:sc=-0.000473 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.197 F(o=-3.8!,f=-0.2) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0419 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.527 K(o=-0.53,f=-3.8!) USER MOD Single : A 36 THR OG1 : rot -66:sc= 1.24 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.4!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 53:sc= -0.696 USER MOD Single : A 49 GLN : amide:sc= -0.481 K(o=-0.48,f=-1.8) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ALA A 7 2.062 -14.284 -2.927 1.00 52.41 N ATOM 75 CA ALA A 7 1.211 -15.415 -3.275 1.00 23.23 C ATOM 76 C ALA A 7 0.778 -16.179 -2.028 1.00 74.44 C ATOM 77 O ALA A 7 1.080 -15.776 -0.905 1.00 60.51 O ATOM 78 CB ALA A 7 1.935 -16.343 -4.240 1.00 1.43 C ATOM 0 HA ALA A 7 0.316 -15.029 -3.762 1.00 23.23 H new ATOM 0 HB1 ALA A 7 1.288 -17.183 -4.491 1.00 1.43 H new ATOM 0 HB2 ALA A 7 2.190 -15.797 -5.148 1.00 1.43 H new ATOM 0 HB3 ALA A 7 2.847 -16.715 -3.772 1.00 1.43 H new ATOM 84 N ASP A 8 0.067 -17.283 -2.234 1.00 44.02 N ATOM 85 CA ASP A 8 -0.408 -18.104 -1.127 1.00 22.04 C ATOM 86 C ASP A 8 0.046 -19.551 -1.289 1.00 63.32 C ATOM 87 O ASP A 8 0.396 -19.999 -2.382 1.00 11.05 O ATOM 88 CB ASP A 8 -1.933 -18.042 -1.036 1.00 33.22 C ATOM 89 CG ASP A 8 -2.410 -17.312 0.204 1.00 34.44 C ATOM 90 OD1 ASP A 8 -1.823 -16.262 0.537 1.00 54.34 O ATOM 91 OD2 ASP A 8 -3.370 -17.793 0.843 1.00 12.54 O ATOM 0 H ASP A 8 -0.193 -17.629 -3.158 1.00 44.02 H new ATOM 0 HA ASP A 8 0.020 -17.709 -0.205 1.00 22.04 H new ATOM 0 HB2 ASP A 8 -2.327 -17.543 -1.922 1.00 33.22 H new ATOM 0 HB3 ASP A 8 -2.335 -19.055 -1.035 1.00 33.22 H new ATOM 96 N PRO A 9 0.043 -20.301 -0.177 1.00 73.43 N ATOM 97 CA PRO A 9 0.452 -21.709 -0.171 1.00 1.04 C ATOM 98 C PRO A 9 -0.545 -22.606 -0.897 1.00 4.04 C ATOM 99 O PRO A 9 -0.163 -23.598 -1.519 1.00 11.54 O ATOM 100 CB PRO A 9 0.499 -22.058 1.319 1.00 11.31 C ATOM 101 CG PRO A 9 -0.446 -21.102 1.962 1.00 71.02 C ATOM 102 CD PRO A 9 -0.362 -19.833 1.159 1.00 23.31 C ATOM 0 HA PRO A 9 1.399 -21.860 -0.689 1.00 1.04 H new ATOM 0 HB2 PRO A 9 0.197 -23.091 1.493 1.00 11.31 H new ATOM 0 HB3 PRO A 9 1.507 -21.948 1.720 1.00 11.31 H new ATOM 0 HG2 PRO A 9 -1.462 -21.498 1.962 1.00 71.02 H new ATOM 0 HG3 PRO A 9 -0.174 -20.924 3.002 1.00 71.02 H new ATOM 0 HD2 PRO A 9 -1.319 -19.312 1.129 1.00 23.31 H new ATOM 0 HD3 PRO A 9 0.366 -19.139 1.579 1.00 23.31 H new ATOM 110 N ARG A 10 -1.823 -22.251 -0.814 1.00 23.24 N ATOM 111 CA ARG A 10 -2.874 -23.025 -1.462 1.00 72.14 C ATOM 112 C ARG A 10 -3.116 -22.528 -2.885 1.00 22.32 C ATOM 113 O ARG A 10 -4.082 -22.926 -3.537 1.00 70.11 O ATOM 114 CB ARG A 10 -4.171 -22.942 -0.655 1.00 4.24 C ATOM 115 CG ARG A 10 -4.208 -23.887 0.535 1.00 14.44 C ATOM 116 CD ARG A 10 -4.905 -23.252 1.729 1.00 52.12 C ATOM 117 NE ARG A 10 -6.085 -24.008 2.139 1.00 14.13 N ATOM 118 CZ ARG A 10 -7.010 -23.535 2.967 1.00 1.35 C ATOM 119 NH1 ARG A 10 -6.892 -22.314 3.470 1.00 4.43 N ATOM 120 NH2 ARG A 10 -8.056 -24.283 3.294 1.00 63.22 N ATOM 0 H ARG A 10 -2.155 -21.432 -0.304 1.00 23.24 H new ATOM 0 HA ARG A 10 -2.549 -24.064 -1.508 1.00 72.14 H new ATOM 0 HB2 ARG A 10 -4.304 -21.920 -0.301 1.00 4.24 H new ATOM 0 HB3 ARG A 10 -5.012 -23.164 -1.311 1.00 4.24 H new ATOM 0 HG2 ARG A 10 -4.725 -24.805 0.256 1.00 14.44 H new ATOM 0 HG3 ARG A 10 -3.191 -24.166 0.812 1.00 14.44 H new ATOM 0 HD2 ARG A 10 -4.207 -23.188 2.564 1.00 52.12 H new ATOM 0 HD3 ARG A 10 -5.197 -22.232 1.478 1.00 52.12 H new ATOM 0 HE ARG A 10 -6.206 -24.951 1.769 1.00 14.13 H new ATOM 0 HH11 ARG A 10 -6.090 -21.735 3.221 1.00 4.43 H new ATOM 0 HH12 ARG A 10 -7.604 -21.953 4.105 1.00 4.43 H new ATOM 0 HH21 ARG A 10 -8.151 -25.223 2.910 1.00 63.22 H new ATOM 0 HH22 ARG A 10 -8.765 -23.918 3.930 1.00 63.22 H new ATOM 134 N LEU A 11 -2.233 -21.657 -3.360 1.00 3.15 N ATOM 135 CA LEU A 11 -2.350 -21.105 -4.705 1.00 4.22 C ATOM 136 C LEU A 11 -1.142 -21.485 -5.556 1.00 54.41 C ATOM 137 O LEU A 11 -1.290 -21.963 -6.681 1.00 62.21 O ATOM 138 CB LEU A 11 -2.486 -19.582 -4.643 1.00 25.55 C ATOM 139 CG LEU A 11 -2.393 -18.845 -5.979 1.00 21.11 C ATOM 140 CD1 LEU A 11 -3.641 -19.091 -6.812 1.00 14.12 C ATOM 141 CD2 LEU A 11 -2.186 -17.355 -5.752 1.00 45.34 C ATOM 0 H LEU A 11 -1.428 -21.318 -2.834 1.00 3.15 H new ATOM 0 HA LEU A 11 -3.244 -21.525 -5.167 1.00 4.22 H new ATOM 0 HB2 LEU A 11 -3.445 -19.341 -4.184 1.00 25.55 H new ATOM 0 HB3 LEU A 11 -1.710 -19.195 -3.982 1.00 25.55 H new ATOM 0 HG LEU A 11 -1.534 -19.232 -6.527 1.00 21.11 H new ATOM 0 HD11 LEU A 11 -3.557 -18.559 -7.759 1.00 14.12 H new ATOM 0 HD12 LEU A 11 -3.746 -20.159 -7.004 1.00 14.12 H new ATOM 0 HD13 LEU A 11 -4.516 -18.732 -6.271 1.00 14.12 H new ATOM 0 HD21 LEU A 11 -2.122 -16.846 -6.714 1.00 45.34 H new ATOM 0 HD22 LEU A 11 -3.025 -16.953 -5.184 1.00 45.34 H new ATOM 0 HD23 LEU A 11 -1.262 -17.197 -5.195 1.00 45.34 H new ATOM 153 N ILE A 12 0.050 -21.270 -5.011 1.00 63.12 N ATOM 154 CA ILE A 12 1.283 -21.593 -5.720 1.00 35.13 C ATOM 155 C ILE A 12 1.263 -23.030 -6.229 1.00 60.24 C ATOM 156 O ILE A 12 1.877 -23.346 -7.248 1.00 52.42 O ATOM 157 CB ILE A 12 2.517 -21.396 -4.820 1.00 62.13 C ATOM 158 CG1 ILE A 12 2.426 -22.297 -3.587 1.00 71.10 C ATOM 159 CG2 ILE A 12 2.645 -19.937 -4.409 1.00 23.02 C ATOM 160 CD1 ILE A 12 3.149 -23.616 -3.747 1.00 43.22 C ATOM 0 H ILE A 12 0.189 -20.874 -4.081 1.00 63.12 H new ATOM 0 HA ILE A 12 1.349 -20.911 -6.567 1.00 35.13 H new ATOM 0 HB ILE A 12 3.408 -21.674 -5.384 1.00 62.13 H new ATOM 0 HG12 ILE A 12 2.839 -21.767 -2.729 1.00 71.10 H new ATOM 0 HG13 ILE A 12 1.377 -22.492 -3.366 1.00 71.10 H new ATOM 0 HG21 ILE A 12 3.522 -19.814 -3.773 1.00 23.02 H new ATOM 0 HG22 ILE A 12 2.752 -19.316 -5.299 1.00 23.02 H new ATOM 0 HG23 ILE A 12 1.753 -19.634 -3.860 1.00 23.02 H new ATOM 0 HD11 ILE A 12 3.042 -24.203 -2.835 1.00 43.22 H new ATOM 0 HD12 ILE A 12 2.721 -24.166 -4.585 1.00 43.22 H new ATOM 0 HD13 ILE A 12 4.206 -23.431 -3.937 1.00 43.22 H new ATOM 172 N GLU A 13 0.552 -23.896 -5.514 1.00 62.52 N ATOM 173 CA GLU A 13 0.452 -25.300 -5.896 1.00 20.44 C ATOM 174 C GLU A 13 -0.021 -25.439 -7.340 1.00 24.41 C ATOM 175 O GLU A 13 0.487 -26.270 -8.093 1.00 72.40 O ATOM 176 CB GLU A 13 -0.508 -26.039 -4.960 1.00 45.21 C ATOM 177 CG GLU A 13 -1.893 -25.419 -4.896 1.00 52.33 C ATOM 178 CD GLU A 13 -2.898 -26.145 -5.769 1.00 33.54 C ATOM 179 OE1 GLU A 13 -2.473 -26.796 -6.747 1.00 13.33 O ATOM 180 OE2 GLU A 13 -4.109 -26.064 -5.474 1.00 21.21 O ATOM 0 H GLU A 13 0.037 -23.651 -4.668 1.00 62.52 H new ATOM 0 HA GLU A 13 1.444 -25.744 -5.813 1.00 20.44 H new ATOM 0 HB2 GLU A 13 -0.597 -27.074 -5.289 1.00 45.21 H new ATOM 0 HB3 GLU A 13 -0.081 -26.059 -3.957 1.00 45.21 H new ATOM 0 HG2 GLU A 13 -2.243 -25.426 -3.864 1.00 52.33 H new ATOM 0 HG3 GLU A 13 -1.835 -24.376 -5.206 1.00 52.33 H new ATOM 187 N SER A 14 -0.996 -24.620 -7.719 1.00 12.15 N ATOM 188 CA SER A 14 -1.541 -24.654 -9.071 1.00 13.34 C ATOM 189 C SER A 14 -0.567 -24.029 -10.065 1.00 20.32 C ATOM 190 O SER A 14 -0.257 -24.618 -11.101 1.00 64.13 O ATOM 191 CB SER A 14 -2.881 -23.918 -9.122 1.00 14.44 C ATOM 192 OG SER A 14 -3.884 -24.635 -8.424 1.00 35.40 O ATOM 0 H SER A 14 -1.425 -23.924 -7.109 1.00 12.15 H new ATOM 0 HA SER A 14 -1.696 -25.697 -9.347 1.00 13.34 H new ATOM 0 HB2 SER A 14 -2.771 -22.925 -8.687 1.00 14.44 H new ATOM 0 HB3 SER A 14 -3.184 -23.780 -10.160 1.00 14.44 H new ATOM 0 HG SER A 14 -4.557 -24.957 -9.059 1.00 35.40 H new ATOM 198 N LEU A 15 -0.088 -22.833 -9.742 1.00 23.22 N ATOM 199 CA LEU A 15 0.852 -22.127 -10.606 1.00 0.34 C ATOM 200 C LEU A 15 2.010 -23.034 -11.007 1.00 65.10 C ATOM 201 O LEU A 15 2.444 -23.031 -12.159 1.00 3.20 O ATOM 202 CB LEU A 15 1.387 -20.880 -9.898 1.00 71.25 C ATOM 203 CG LEU A 15 0.397 -19.727 -9.731 1.00 42.32 C ATOM 204 CD1 LEU A 15 0.371 -19.251 -8.287 1.00 42.20 C ATOM 205 CD2 LEU A 15 0.752 -18.580 -10.666 1.00 51.23 C ATOM 0 H LEU A 15 -0.335 -22.332 -8.889 1.00 23.22 H new ATOM 0 HA LEU A 15 0.322 -21.826 -11.509 1.00 0.34 H new ATOM 0 HB2 LEU A 15 1.744 -21.172 -8.910 1.00 71.25 H new ATOM 0 HB3 LEU A 15 2.250 -20.514 -10.453 1.00 71.25 H new ATOM 0 HG LEU A 15 -0.598 -20.087 -9.991 1.00 42.32 H new ATOM 0 HD11 LEU A 15 -0.339 -18.430 -8.187 1.00 42.20 H new ATOM 0 HD12 LEU A 15 0.069 -20.073 -7.638 1.00 42.20 H new ATOM 0 HD13 LEU A 15 1.365 -18.908 -7.999 1.00 42.20 H new ATOM 0 HD21 LEU A 15 0.037 -17.768 -10.534 1.00 51.23 H new ATOM 0 HD22 LEU A 15 1.755 -18.221 -10.437 1.00 51.23 H new ATOM 0 HD23 LEU A 15 0.718 -18.928 -11.698 1.00 51.23 H new ATOM 217 N SER A 16 2.506 -23.812 -10.049 1.00 53.35 N ATOM 218 CA SER A 16 3.615 -24.724 -10.303 1.00 10.33 C ATOM 219 C SER A 16 3.318 -25.621 -11.500 1.00 41.14 C ATOM 220 O SER A 16 4.226 -26.022 -12.228 1.00 52.02 O ATOM 221 CB SER A 16 3.891 -25.580 -9.066 1.00 23.25 C ATOM 222 OG SER A 16 4.704 -24.885 -8.135 1.00 72.53 O ATOM 0 H SER A 16 2.157 -23.829 -9.091 1.00 53.35 H new ATOM 0 HA SER A 16 4.499 -24.128 -10.529 1.00 10.33 H new ATOM 0 HB2 SER A 16 2.948 -25.857 -8.594 1.00 23.25 H new ATOM 0 HB3 SER A 16 4.383 -26.506 -9.363 1.00 23.25 H new ATOM 0 HG SER A 16 4.864 -25.453 -7.353 1.00 72.53 H new ATOM 228 N GLN A 17 2.041 -25.931 -11.697 1.00 72.11 N ATOM 229 CA GLN A 17 1.624 -26.781 -12.806 1.00 33.52 C ATOM 230 C GLN A 17 1.466 -25.968 -14.086 1.00 61.13 C ATOM 231 O GLN A 17 1.820 -26.427 -15.172 1.00 34.31 O ATOM 232 CB GLN A 17 0.308 -27.485 -12.469 1.00 71.33 C ATOM 233 CG GLN A 17 0.259 -28.039 -11.055 1.00 32.44 C ATOM 234 CD GLN A 17 -0.076 -29.517 -11.018 1.00 72.40 C ATOM 235 OE1 GLN A 17 -1.066 -29.920 -11.806 1.00 30.45 O flip ATOM 236 NE2 GLN A 17 0.548 -30.289 -10.290 1.00 14.01 N flip ATOM 0 H GLN A 17 1.277 -25.607 -11.104 1.00 72.11 H new ATOM 0 HA GLN A 17 2.399 -27.531 -12.967 1.00 33.52 H new ATOM 0 HB2 GLN A 17 -0.515 -26.783 -12.604 1.00 71.33 H new ATOM 0 HB3 GLN A 17 0.150 -28.300 -13.175 1.00 71.33 H new ATOM 0 HG2 GLN A 17 1.222 -27.877 -10.572 1.00 32.44 H new ATOM 0 HG3 GLN A 17 -0.484 -27.488 -10.478 1.00 32.44 H new ATOM 0 HE21 GLN A 17 1.302 -29.937 -9.700 1.00 14.01 H new ATOM 0 HE22 GLN A 17 0.311 -31.281 -10.277 1.00 14.01 H new ATOM 245 N MET A 18 0.933 -24.758 -13.951 1.00 72.31 N ATOM 246 CA MET A 18 0.729 -23.881 -15.098 1.00 3.21 C ATOM 247 C MET A 18 2.064 -23.455 -15.701 1.00 24.53 C ATOM 248 O MET A 18 2.280 -23.580 -16.907 1.00 24.30 O ATOM 249 CB MET A 18 -0.074 -22.646 -14.686 1.00 11.20 C ATOM 250 CG MET A 18 -1.345 -22.975 -13.919 1.00 62.35 C ATOM 251 SD MET A 18 -2.838 -22.626 -14.868 1.00 32.34 S ATOM 252 CE MET A 18 -2.427 -23.383 -16.438 1.00 21.41 C ATOM 0 H MET A 18 0.635 -24.363 -13.059 1.00 72.31 H new ATOM 0 HA MET A 18 0.170 -24.435 -15.852 1.00 3.21 H new ATOM 0 HB2 MET A 18 0.555 -22.002 -14.071 1.00 11.20 H new ATOM 0 HB3 MET A 18 -0.335 -22.078 -15.579 1.00 11.20 H new ATOM 0 HG2 MET A 18 -1.334 -24.029 -13.640 1.00 62.35 H new ATOM 0 HG3 MET A 18 -1.365 -22.400 -12.993 1.00 62.35 H new ATOM 0 HE1 MET A 18 -2.615 -22.674 -17.244 1.00 21.41 H new ATOM 0 HE2 MET A 18 -1.374 -23.665 -16.441 1.00 21.41 H new ATOM 0 HE3 MET A 18 -3.041 -24.271 -16.585 1.00 21.41 H new ATOM 262 N LEU A 19 2.957 -22.953 -14.855 1.00 11.22 N ATOM 263 CA LEU A 19 4.272 -22.508 -15.304 1.00 74.55 C ATOM 264 C LEU A 19 5.050 -23.660 -15.932 1.00 64.10 C ATOM 265 O LEU A 19 5.843 -23.458 -16.852 1.00 21.22 O ATOM 266 CB LEU A 19 5.062 -21.922 -14.133 1.00 53.02 C ATOM 267 CG LEU A 19 4.331 -20.881 -13.285 1.00 52.51 C ATOM 268 CD1 LEU A 19 4.921 -20.823 -11.885 1.00 34.44 C ATOM 269 CD2 LEU A 19 4.394 -19.513 -13.949 1.00 2.42 C ATOM 0 H LEU A 19 2.794 -22.844 -13.854 1.00 11.22 H new ATOM 0 HA LEU A 19 4.129 -21.735 -16.059 1.00 74.55 H new ATOM 0 HB2 LEU A 19 5.369 -22.741 -13.482 1.00 53.02 H new ATOM 0 HB3 LEU A 19 5.972 -21.468 -14.525 1.00 53.02 H new ATOM 0 HG LEU A 19 3.285 -21.176 -13.204 1.00 52.51 H new ATOM 0 HD11 LEU A 19 4.388 -20.077 -11.296 1.00 34.44 H new ATOM 0 HD12 LEU A 19 4.824 -21.798 -11.408 1.00 34.44 H new ATOM 0 HD13 LEU A 19 5.975 -20.552 -11.945 1.00 34.44 H new ATOM 0 HD21 LEU A 19 3.869 -18.784 -13.332 1.00 2.42 H new ATOM 0 HD22 LEU A 19 5.435 -19.210 -14.061 1.00 2.42 H new ATOM 0 HD23 LEU A 19 3.923 -19.563 -14.931 1.00 2.42 H new ATOM 281 N SER A 20 4.817 -24.869 -15.430 1.00 2.52 N ATOM 282 CA SER A 20 5.498 -26.053 -15.940 1.00 50.21 C ATOM 283 C SER A 20 4.810 -26.575 -17.198 1.00 4.10 C ATOM 284 O SER A 20 5.435 -27.227 -18.034 1.00 75.41 O ATOM 285 CB SER A 20 5.532 -27.148 -14.872 1.00 12.51 C ATOM 286 OG SER A 20 5.974 -28.379 -15.417 1.00 54.41 O ATOM 0 H SER A 20 4.162 -25.054 -14.671 1.00 2.52 H new ATOM 0 HA SER A 20 6.520 -25.773 -16.195 1.00 50.21 H new ATOM 0 HB2 SER A 20 6.194 -26.848 -14.060 1.00 12.51 H new ATOM 0 HB3 SER A 20 4.538 -27.273 -14.443 1.00 12.51 H new ATOM 0 HG SER A 20 5.988 -29.062 -14.714 1.00 54.41 H new ATOM 292 N MET A 21 3.520 -26.282 -17.324 1.00 61.41 N ATOM 293 CA MET A 21 2.747 -26.721 -18.480 1.00 70.12 C ATOM 294 C MET A 21 2.986 -25.803 -19.674 1.00 44.25 C ATOM 295 O MET A 21 2.914 -26.233 -20.825 1.00 4.02 O ATOM 296 CB MET A 21 1.256 -26.756 -18.140 1.00 32.21 C ATOM 297 CG MET A 21 0.755 -28.136 -17.746 1.00 32.20 C ATOM 298 SD MET A 21 -1.022 -28.169 -17.439 1.00 42.34 S ATOM 299 CE MET A 21 -1.188 -26.822 -16.271 1.00 13.25 C ATOM 0 H MET A 21 2.988 -25.743 -16.641 1.00 61.41 H new ATOM 0 HA MET A 21 3.076 -27.726 -18.745 1.00 70.12 H new ATOM 0 HB2 MET A 21 1.062 -26.061 -17.323 1.00 32.21 H new ATOM 0 HB3 MET A 21 0.687 -26.404 -19.000 1.00 32.21 H new ATOM 0 HG2 MET A 21 0.996 -28.845 -18.538 1.00 32.20 H new ATOM 0 HG3 MET A 21 1.281 -28.467 -16.850 1.00 32.20 H new ATOM 0 HE1 MET A 21 -2.239 -26.693 -16.011 1.00 13.25 H new ATOM 0 HE2 MET A 21 -0.617 -27.049 -15.371 1.00 13.25 H new ATOM 0 HE3 MET A 21 -0.809 -25.903 -16.719 1.00 13.25 H new ATOM 309 N GLY A 22 3.271 -24.535 -19.393 1.00 3.21 N ATOM 310 CA GLY A 22 3.516 -23.576 -20.455 1.00 23.24 C ATOM 311 C GLY A 22 2.745 -22.286 -20.260 1.00 2.20 C ATOM 312 O GLY A 22 2.054 -21.824 -21.168 1.00 75.40 O ATOM 0 H GLY A 22 3.337 -24.155 -18.449 1.00 3.21 H new ATOM 0 HA2 GLY A 22 4.582 -23.355 -20.502 1.00 23.24 H new ATOM 0 HA3 GLY A 22 3.240 -24.020 -21.412 1.00 23.24 H new ATOM 316 N PHE A 23 2.862 -21.702 -19.072 1.00 1.01 N ATOM 317 CA PHE A 23 2.168 -20.458 -18.760 1.00 20.02 C ATOM 318 C PHE A 23 3.020 -19.572 -17.855 1.00 72.13 C ATOM 319 O PHE A 23 4.128 -19.943 -17.470 1.00 64.54 O ATOM 320 CB PHE A 23 0.826 -20.753 -18.086 1.00 61.15 C ATOM 321 CG PHE A 23 -0.138 -21.493 -18.969 1.00 41.35 C ATOM 322 CD1 PHE A 23 -0.999 -20.803 -19.808 1.00 64.22 C ATOM 323 CD2 PHE A 23 -0.184 -22.878 -18.960 1.00 44.54 C ATOM 324 CE1 PHE A 23 -1.887 -21.481 -20.622 1.00 43.34 C ATOM 325 CE2 PHE A 23 -1.069 -23.560 -19.773 1.00 31.44 C ATOM 326 CZ PHE A 23 -1.923 -22.861 -20.604 1.00 24.24 C ATOM 0 H PHE A 23 3.431 -22.070 -18.310 1.00 1.01 H new ATOM 0 HA PHE A 23 1.989 -19.927 -19.695 1.00 20.02 H new ATOM 0 HB2 PHE A 23 1.003 -21.338 -17.184 1.00 61.15 H new ATOM 0 HB3 PHE A 23 0.371 -19.813 -17.773 1.00 61.15 H new ATOM 0 HD1 PHE A 23 -0.976 -19.723 -19.826 1.00 64.22 H new ATOM 0 HD2 PHE A 23 0.479 -23.430 -18.311 1.00 44.54 H new ATOM 0 HE1 PHE A 23 -2.552 -20.932 -21.272 1.00 43.34 H new ATOM 0 HE2 PHE A 23 -1.093 -24.640 -19.759 1.00 31.44 H new ATOM 0 HZ PHE A 23 -2.617 -23.393 -21.238 1.00 24.24 H new ATOM 336 N SER A 24 2.493 -18.398 -17.521 1.00 21.53 N ATOM 337 CA SER A 24 3.206 -17.457 -16.665 1.00 51.23 C ATOM 338 C SER A 24 2.229 -16.634 -15.831 1.00 20.34 C ATOM 339 O SER A 24 1.034 -16.928 -15.785 1.00 23.14 O ATOM 340 CB SER A 24 4.080 -16.528 -17.511 1.00 33.14 C ATOM 341 OG SER A 24 5.209 -16.085 -16.779 1.00 3.32 O ATOM 0 H SER A 24 1.576 -18.076 -17.830 1.00 21.53 H new ATOM 0 HA SER A 24 3.842 -18.028 -15.989 1.00 51.23 H new ATOM 0 HB2 SER A 24 4.407 -17.050 -18.410 1.00 33.14 H new ATOM 0 HB3 SER A 24 3.494 -15.669 -17.837 1.00 33.14 H new ATOM 0 HG SER A 24 5.752 -15.494 -17.341 1.00 3.32 H new ATOM 347 N ASP A 25 2.746 -15.603 -15.172 1.00 42.02 N ATOM 348 CA ASP A 25 1.921 -14.736 -14.339 1.00 73.12 C ATOM 349 C ASP A 25 2.169 -13.268 -14.670 1.00 52.32 C ATOM 350 O ASP A 25 1.984 -12.392 -13.826 1.00 23.13 O ATOM 351 CB ASP A 25 2.206 -14.993 -12.859 1.00 20.23 C ATOM 352 CG ASP A 25 3.659 -14.751 -12.498 1.00 74.05 C ATOM 353 OD1 ASP A 25 4.021 -13.582 -12.249 1.00 34.42 O ATOM 354 OD2 ASP A 25 4.434 -15.730 -12.467 1.00 33.00 O ATOM 0 H ASP A 25 3.733 -15.347 -15.199 1.00 42.02 H new ATOM 0 HA ASP A 25 0.875 -14.964 -14.544 1.00 73.12 H new ATOM 0 HB2 ASP A 25 1.572 -14.347 -12.252 1.00 20.23 H new ATOM 0 HB3 ASP A 25 1.940 -16.021 -12.614 1.00 20.23 H new ATOM 359 N GLU A 26 2.589 -13.007 -15.904 1.00 61.22 N ATOM 360 CA GLU A 26 2.864 -11.645 -16.345 1.00 42.22 C ATOM 361 C GLU A 26 1.678 -10.730 -16.057 1.00 14.41 C ATOM 362 O GLU A 26 0.575 -10.948 -16.558 1.00 3.14 O ATOM 363 CB GLU A 26 3.187 -11.624 -17.841 1.00 35.42 C ATOM 364 CG GLU A 26 4.376 -12.491 -18.219 1.00 74.51 C ATOM 365 CD GLU A 26 5.658 -11.694 -18.358 1.00 60.43 C ATOM 366 OE1 GLU A 26 5.713 -10.561 -17.836 1.00 72.53 O ATOM 367 OE2 GLU A 26 6.607 -12.205 -18.990 1.00 2.43 O ATOM 0 H GLU A 26 2.746 -13.721 -16.616 1.00 61.22 H new ATOM 0 HA GLU A 26 3.727 -11.278 -15.789 1.00 42.22 H new ATOM 0 HB2 GLU A 26 2.312 -11.959 -18.398 1.00 35.42 H new ATOM 0 HB3 GLU A 26 3.385 -10.597 -18.147 1.00 35.42 H new ATOM 0 HG2 GLU A 26 4.513 -13.263 -17.462 1.00 74.51 H new ATOM 0 HG3 GLU A 26 4.165 -13.000 -19.159 1.00 74.51 H new ATOM 374 N GLY A 27 1.913 -9.703 -15.245 1.00 33.43 N ATOM 375 CA GLY A 27 0.855 -8.771 -14.903 1.00 11.44 C ATOM 376 C GLY A 27 0.048 -9.224 -13.702 1.00 73.24 C ATOM 377 O GLY A 27 -0.176 -8.454 -12.769 1.00 61.41 O ATOM 0 H GLY A 27 2.817 -9.500 -14.818 1.00 33.43 H new ATOM 0 HA2 GLY A 27 1.290 -7.793 -14.697 1.00 11.44 H new ATOM 0 HA3 GLY A 27 0.191 -8.651 -15.759 1.00 11.44 H new ATOM 381 N GLY A 28 -0.393 -10.479 -13.727 1.00 3.42 N ATOM 382 CA GLY A 28 -1.177 -11.011 -12.628 1.00 25.13 C ATOM 383 C GLY A 28 -2.452 -11.682 -13.097 1.00 14.30 C ATOM 384 O GLY A 28 -3.530 -11.423 -12.561 1.00 72.43 O ATOM 0 H GLY A 28 -0.221 -11.136 -14.488 1.00 3.42 H new ATOM 0 HA2 GLY A 28 -0.576 -11.730 -12.071 1.00 25.13 H new ATOM 0 HA3 GLY A 28 -1.427 -10.204 -11.940 1.00 25.13 H new ATOM 388 N TRP A 29 -2.331 -12.543 -14.100 1.00 72.04 N ATOM 389 CA TRP A 29 -3.485 -13.251 -14.643 1.00 31.30 C ATOM 390 C TRP A 29 -3.575 -14.663 -14.073 1.00 42.40 C ATOM 391 O TRP A 29 -4.635 -15.290 -14.105 1.00 44.32 O ATOM 392 CB TRP A 29 -3.403 -13.309 -16.169 1.00 42.32 C ATOM 393 CG TRP A 29 -2.405 -14.307 -16.673 1.00 44.42 C ATOM 394 CD1 TRP A 29 -1.069 -14.101 -16.872 1.00 31.33 C ATOM 395 CD2 TRP A 29 -2.663 -15.665 -17.044 1.00 72.02 C ATOM 396 NE1 TRP A 29 -0.482 -15.250 -17.344 1.00 21.42 N ATOM 397 CE2 TRP A 29 -1.438 -16.224 -17.457 1.00 73.55 C ATOM 398 CE3 TRP A 29 -3.810 -16.464 -17.066 1.00 4.25 C ATOM 399 CZ2 TRP A 29 -1.331 -17.544 -17.887 1.00 65.35 C ATOM 400 CZ3 TRP A 29 -3.701 -17.773 -17.493 1.00 30.42 C ATOM 401 CH2 TRP A 29 -2.469 -18.304 -17.898 1.00 41.53 C ATOM 0 H TRP A 29 -1.446 -12.768 -14.554 1.00 72.04 H new ATOM 0 HA TRP A 29 -4.383 -12.704 -14.355 1.00 31.30 H new ATOM 0 HB2 TRP A 29 -4.386 -13.555 -16.569 1.00 42.32 H new ATOM 0 HB3 TRP A 29 -3.142 -12.321 -16.549 1.00 42.32 H new ATOM 0 HD1 TRP A 29 -0.551 -13.172 -16.686 1.00 31.33 H new ATOM 0 HE1 TRP A 29 0.506 -15.360 -17.573 1.00 21.42 H new ATOM 0 HE3 TRP A 29 -4.764 -16.065 -16.755 1.00 4.25 H new ATOM 0 HZ2 TRP A 29 -0.382 -17.954 -18.201 1.00 65.35 H new ATOM 0 HZ3 TRP A 29 -4.581 -18.399 -17.515 1.00 30.42 H new ATOM 0 HH2 TRP A 29 -2.417 -19.332 -18.225 1.00 41.53 H new ATOM 412 N LEU A 30 -2.458 -15.157 -13.551 1.00 62.55 N ATOM 413 CA LEU A 30 -2.411 -16.496 -12.973 1.00 63.14 C ATOM 414 C LEU A 30 -2.408 -16.431 -11.450 1.00 30.35 C ATOM 415 O LEU A 30 -2.318 -17.457 -10.773 1.00 43.33 O ATOM 416 CB LEU A 30 -1.170 -17.242 -13.466 1.00 25.32 C ATOM 417 CG LEU A 30 -1.208 -18.766 -13.339 1.00 40.43 C ATOM 418 CD1 LEU A 30 -2.322 -19.345 -14.197 1.00 54.50 C ATOM 419 CD2 LEU A 30 0.135 -19.367 -13.729 1.00 35.23 C ATOM 0 H LEU A 30 -1.573 -14.651 -13.516 1.00 62.55 H new ATOM 0 HA LEU A 30 -3.302 -17.035 -13.293 1.00 63.14 H new ATOM 0 HB2 LEU A 30 -1.011 -16.989 -14.514 1.00 25.32 H new ATOM 0 HB3 LEU A 30 -0.306 -16.873 -12.914 1.00 25.32 H new ATOM 0 HG LEU A 30 -1.409 -19.020 -12.298 1.00 40.43 H new ATOM 0 HD11 LEU A 30 -2.334 -20.430 -14.094 1.00 54.50 H new ATOM 0 HD12 LEU A 30 -3.280 -18.939 -13.872 1.00 54.50 H new ATOM 0 HD13 LEU A 30 -2.152 -19.081 -15.241 1.00 54.50 H new ATOM 0 HD21 LEU A 30 0.090 -20.452 -13.633 1.00 35.23 H new ATOM 0 HD22 LEU A 30 0.365 -19.104 -14.761 1.00 35.23 H new ATOM 0 HD23 LEU A 30 0.913 -18.977 -13.073 1.00 35.23 H new ATOM 431 N THR A 31 -2.510 -15.219 -10.913 1.00 42.05 N ATOM 432 CA THR A 31 -2.520 -15.020 -9.470 1.00 12.02 C ATOM 433 C THR A 31 -3.945 -15.004 -8.927 1.00 64.12 C ATOM 434 O THR A 31 -4.170 -15.246 -7.741 1.00 41.42 O ATOM 435 CB THR A 31 -1.819 -13.705 -9.079 1.00 33.22 C ATOM 436 OG1 THR A 31 -1.870 -13.526 -7.659 1.00 71.40 O ATOM 437 CG2 THR A 31 -2.474 -12.517 -9.768 1.00 65.53 C ATOM 0 H THR A 31 -2.587 -14.360 -11.457 1.00 42.05 H new ATOM 0 HA THR A 31 -1.976 -15.857 -9.032 1.00 12.02 H new ATOM 0 HB THR A 31 -0.779 -13.764 -9.401 1.00 33.22 H new ATOM 0 HG1 THR A 31 -1.421 -12.689 -7.418 1.00 71.40 H new ATOM 0 HG21 THR A 31 -1.962 -11.600 -9.477 1.00 65.53 H new ATOM 0 HG22 THR A 31 -2.408 -12.642 -10.849 1.00 65.53 H new ATOM 0 HG23 THR A 31 -3.522 -12.457 -9.473 1.00 65.53 H new ATOM 445 N ARG A 32 -4.903 -14.719 -9.803 1.00 11.15 N ATOM 446 CA ARG A 32 -6.306 -14.671 -9.410 1.00 75.22 C ATOM 447 C ARG A 32 -7.119 -15.716 -10.170 1.00 11.31 C ATOM 448 O ARG A 32 -8.151 -16.186 -9.688 1.00 63.04 O ATOM 449 CB ARG A 32 -6.882 -13.277 -9.665 1.00 73.13 C ATOM 450 CG ARG A 32 -6.109 -12.164 -8.978 1.00 42.42 C ATOM 451 CD ARG A 32 -6.791 -11.723 -7.692 1.00 44.04 C ATOM 452 NE ARG A 32 -7.382 -10.393 -7.814 1.00 71.34 N ATOM 453 CZ ARG A 32 -7.712 -9.637 -6.773 1.00 74.51 C ATOM 454 NH1 ARG A 32 -7.510 -10.078 -5.539 1.00 45.02 N ATOM 455 NH2 ARG A 32 -8.246 -8.438 -6.965 1.00 74.02 N ATOM 0 H ARG A 32 -4.733 -14.518 -10.789 1.00 11.15 H new ATOM 0 HA ARG A 32 -6.367 -14.892 -8.344 1.00 75.22 H new ATOM 0 HB2 ARG A 32 -6.895 -13.089 -10.739 1.00 73.13 H new ATOM 0 HB3 ARG A 32 -7.917 -13.253 -9.324 1.00 73.13 H new ATOM 0 HG2 ARG A 32 -5.098 -12.505 -8.756 1.00 42.42 H new ATOM 0 HG3 ARG A 32 -6.017 -11.313 -9.653 1.00 42.42 H new ATOM 0 HD2 ARG A 32 -7.567 -12.442 -7.428 1.00 44.04 H new ATOM 0 HD3 ARG A 32 -6.066 -11.724 -6.878 1.00 44.04 H new ATOM 0 HE ARG A 32 -7.551 -10.024 -8.750 1.00 71.34 H new ATOM 0 HH11 ARG A 32 -7.100 -11.000 -5.387 1.00 45.02 H new ATOM 0 HH12 ARG A 32 -7.764 -9.495 -4.741 1.00 45.02 H new ATOM 0 HH21 ARG A 32 -8.404 -8.096 -7.913 1.00 74.02 H new ATOM 0 HH22 ARG A 32 -8.499 -7.858 -6.165 1.00 74.02 H new ATOM 469 N LEU A 33 -6.648 -16.074 -11.359 1.00 50.33 N ATOM 470 CA LEU A 33 -7.331 -17.062 -12.187 1.00 22.44 C ATOM 471 C LEU A 33 -7.610 -18.336 -11.395 1.00 4.12 C ATOM 472 O LEU A 33 -8.743 -18.815 -11.348 1.00 73.44 O ATOM 473 CB LEU A 33 -6.491 -17.390 -13.422 1.00 64.12 C ATOM 474 CG LEU A 33 -6.825 -18.703 -14.132 1.00 45.41 C ATOM 475 CD1 LEU A 33 -8.294 -18.740 -14.522 1.00 11.23 C ATOM 476 CD2 LEU A 33 -5.941 -18.886 -15.358 1.00 12.24 C ATOM 0 H LEU A 33 -5.796 -15.695 -11.772 1.00 50.33 H new ATOM 0 HA LEU A 33 -8.283 -16.637 -12.505 1.00 22.44 H new ATOM 0 HB2 LEU A 33 -6.600 -16.575 -14.138 1.00 64.12 H new ATOM 0 HB3 LEU A 33 -5.442 -17.417 -13.127 1.00 64.12 H new ATOM 0 HG LEU A 33 -6.632 -19.526 -13.443 1.00 45.41 H new ATOM 0 HD11 LEU A 33 -8.513 -19.681 -15.026 1.00 11.23 H new ATOM 0 HD12 LEU A 33 -8.910 -18.656 -13.627 1.00 11.23 H new ATOM 0 HD13 LEU A 33 -8.513 -17.910 -15.193 1.00 11.23 H new ATOM 0 HD21 LEU A 33 -6.192 -19.825 -15.851 1.00 12.24 H new ATOM 0 HD22 LEU A 33 -6.102 -18.059 -16.049 1.00 12.24 H new ATOM 0 HD23 LEU A 33 -4.895 -18.905 -15.053 1.00 12.24 H new ATOM 488 N LEU A 34 -6.569 -18.878 -10.771 1.00 74.35 N ATOM 489 CA LEU A 34 -6.702 -20.096 -9.979 1.00 12.34 C ATOM 490 C LEU A 34 -7.699 -19.899 -8.841 1.00 55.24 C ATOM 491 O LEU A 34 -8.568 -20.740 -8.613 1.00 73.03 O ATOM 492 CB LEU A 34 -5.343 -20.511 -9.414 1.00 4.32 C ATOM 493 CG LEU A 34 -4.365 -21.137 -10.409 1.00 51.10 C ATOM 494 CD1 LEU A 34 -5.025 -22.287 -11.154 1.00 52.52 C ATOM 495 CD2 LEU A 34 -3.855 -20.088 -11.387 1.00 25.44 C ATOM 0 H LEU A 34 -5.625 -18.493 -10.798 1.00 74.35 H new ATOM 0 HA LEU A 34 -7.074 -20.886 -10.632 1.00 12.34 H new ATOM 0 HB2 LEU A 34 -4.871 -19.632 -8.975 1.00 4.32 H new ATOM 0 HB3 LEU A 34 -5.510 -21.221 -8.604 1.00 4.32 H new ATOM 0 HG LEU A 34 -3.514 -21.532 -9.854 1.00 51.10 H new ATOM 0 HD11 LEU A 34 -4.314 -22.720 -11.858 1.00 52.52 H new ATOM 0 HD12 LEU A 34 -5.340 -23.049 -10.441 1.00 52.52 H new ATOM 0 HD13 LEU A 34 -5.894 -21.917 -11.698 1.00 52.52 H new ATOM 0 HD21 LEU A 34 -3.160 -20.551 -12.088 1.00 25.44 H new ATOM 0 HD22 LEU A 34 -4.695 -19.664 -11.936 1.00 25.44 H new ATOM 0 HD23 LEU A 34 -3.344 -19.297 -10.838 1.00 25.44 H new ATOM 507 N GLN A 35 -7.569 -18.782 -8.133 1.00 43.33 N ATOM 508 CA GLN A 35 -8.460 -18.474 -7.021 1.00 22.31 C ATOM 509 C GLN A 35 -9.920 -18.576 -7.449 1.00 51.11 C ATOM 510 O GLN A 35 -10.761 -19.088 -6.710 1.00 33.51 O ATOM 511 CB GLN A 35 -8.171 -17.073 -6.481 1.00 2.33 C ATOM 512 CG GLN A 35 -6.810 -16.946 -5.815 1.00 42.35 C ATOM 513 CD GLN A 35 -6.537 -15.544 -5.307 1.00 14.12 C ATOM 514 OE1 GLN A 35 -6.635 -14.570 -6.054 1.00 12.11 O ATOM 515 NE2 GLN A 35 -6.193 -15.434 -4.029 1.00 13.01 N ATOM 0 H GLN A 35 -6.855 -18.075 -8.310 1.00 43.33 H new ATOM 0 HA GLN A 35 -8.280 -19.204 -6.232 1.00 22.31 H new ATOM 0 HB2 GLN A 35 -8.233 -16.357 -7.300 1.00 2.33 H new ATOM 0 HB3 GLN A 35 -8.945 -16.803 -5.762 1.00 2.33 H new ATOM 0 HG2 GLN A 35 -6.750 -17.648 -4.983 1.00 42.35 H new ATOM 0 HG3 GLN A 35 -6.034 -17.228 -6.527 1.00 42.35 H new ATOM 0 HE21 GLN A 35 -6.124 -16.268 -3.446 1.00 13.01 H new ATOM 0 HE22 GLN A 35 -5.998 -14.516 -3.631 1.00 13.01 H new ATOM 524 N THR A 36 -10.216 -18.084 -8.648 1.00 42.22 N ATOM 525 CA THR A 36 -11.574 -18.118 -9.174 1.00 55.34 C ATOM 526 C THR A 36 -11.983 -19.537 -9.550 1.00 34.30 C ATOM 527 O THR A 36 -13.171 -19.855 -9.621 1.00 1.45 O ATOM 528 CB THR A 36 -11.721 -17.209 -10.410 1.00 32.52 C ATOM 529 OG1 THR A 36 -11.129 -17.837 -11.553 1.00 32.35 O ATOM 530 CG2 THR A 36 -11.064 -15.859 -10.170 1.00 0.33 C ATOM 0 H THR A 36 -9.532 -17.657 -9.273 1.00 42.22 H new ATOM 0 HA THR A 36 -12.228 -17.752 -8.383 1.00 55.34 H new ATOM 0 HB THR A 36 -12.784 -17.050 -10.593 1.00 32.52 H new ATOM 0 HG1 THR A 36 -10.161 -17.910 -11.421 1.00 32.35 H new ATOM 0 HG21 THR A 36 -11.181 -15.235 -11.056 1.00 0.33 H new ATOM 0 HG22 THR A 36 -11.536 -15.371 -9.318 1.00 0.33 H new ATOM 0 HG23 THR A 36 -10.003 -16.002 -9.964 1.00 0.33 H new ATOM 538 N LYS A 37 -10.993 -20.390 -9.790 1.00 4.51 N ATOM 539 CA LYS A 37 -11.248 -21.777 -10.157 1.00 33.34 C ATOM 540 C LYS A 37 -11.006 -22.707 -8.972 1.00 5.22 C ATOM 541 O LYS A 37 -10.931 -23.924 -9.131 1.00 64.34 O ATOM 542 CB LYS A 37 -10.358 -22.188 -11.332 1.00 31.34 C ATOM 543 CG LYS A 37 -10.528 -21.310 -12.559 1.00 62.54 C ATOM 544 CD LYS A 37 -11.980 -21.245 -13.002 1.00 11.14 C ATOM 545 CE LYS A 37 -12.098 -20.903 -14.479 1.00 10.41 C ATOM 546 NZ LYS A 37 -13.254 -21.591 -15.117 1.00 53.30 N ATOM 0 H LYS A 37 -10.005 -20.144 -9.737 1.00 4.51 H new ATOM 0 HA LYS A 37 -12.293 -21.861 -10.455 1.00 33.34 H new ATOM 0 HB2 LYS A 37 -9.315 -22.158 -11.015 1.00 31.34 H new ATOM 0 HB3 LYS A 37 -10.580 -23.221 -11.601 1.00 31.34 H new ATOM 0 HG2 LYS A 37 -10.168 -20.305 -12.341 1.00 62.54 H new ATOM 0 HG3 LYS A 37 -9.915 -21.698 -13.373 1.00 62.54 H new ATOM 0 HD2 LYS A 37 -12.463 -22.203 -12.810 1.00 11.14 H new ATOM 0 HD3 LYS A 37 -12.509 -20.497 -12.411 1.00 11.14 H new ATOM 0 HE2 LYS A 37 -12.208 -19.825 -14.594 1.00 10.41 H new ATOM 0 HE3 LYS A 37 -11.179 -21.186 -14.992 1.00 10.41 H new ATOM 0 HZ1 LYS A 37 -13.300 -21.332 -16.123 1.00 53.30 H new ATOM 0 HZ2 LYS A 37 -13.137 -22.621 -15.030 1.00 53.30 H new ATOM 0 HZ3 LYS A 37 -14.134 -21.302 -14.645 1.00 53.30 H new ATOM 560 N ASN A 38 -10.885 -22.124 -7.783 1.00 61.13 N ATOM 561 CA ASN A 38 -10.652 -22.901 -6.571 1.00 44.13 C ATOM 562 C ASN A 38 -9.346 -23.684 -6.670 1.00 2.32 C ATOM 563 O ASN A 38 -9.280 -24.853 -6.289 1.00 54.21 O ATOM 564 CB ASN A 38 -11.817 -23.861 -6.324 1.00 12.35 C ATOM 565 CG ASN A 38 -12.080 -24.082 -4.846 1.00 65.44 C ATOM 566 OD1 ASN A 38 -11.903 -23.177 -4.031 1.00 35.34 O ATOM 567 ND2 ASN A 38 -12.503 -25.291 -4.496 1.00 23.32 N ATOM 0 H ASN A 38 -10.944 -21.117 -7.633 1.00 61.13 H new ATOM 0 HA ASN A 38 -10.577 -22.208 -5.733 1.00 44.13 H new ATOM 0 HB2 ASN A 38 -12.717 -23.465 -6.795 1.00 12.35 H new ATOM 0 HB3 ASN A 38 -11.603 -24.818 -6.799 1.00 12.35 H new ATOM 0 HD21 ASN A 38 -12.695 -25.500 -3.516 1.00 23.32 H new ATOM 0 HD22 ASN A 38 -12.636 -26.010 -5.207 1.00 23.32 H new ATOM 574 N TYR A 39 -8.309 -23.031 -7.182 1.00 63.15 N ATOM 575 CA TYR A 39 -7.005 -23.666 -7.333 1.00 3.11 C ATOM 576 C TYR A 39 -7.107 -24.925 -8.188 1.00 32.31 C ATOM 577 O TYR A 39 -6.698 -26.008 -7.770 1.00 23.34 O ATOM 578 CB TYR A 39 -6.422 -24.013 -5.962 1.00 2.10 C ATOM 579 CG TYR A 39 -6.594 -22.916 -4.936 1.00 31.15 C ATOM 580 CD1 TYR A 39 -6.162 -21.621 -5.195 1.00 34.10 C ATOM 581 CD2 TYR A 39 -7.187 -23.175 -3.706 1.00 54.22 C ATOM 582 CE1 TYR A 39 -6.317 -20.616 -4.260 1.00 40.20 C ATOM 583 CE2 TYR A 39 -7.347 -22.176 -2.766 1.00 15.51 C ATOM 584 CZ TYR A 39 -6.911 -20.898 -3.047 1.00 45.14 C ATOM 585 OH TYR A 39 -7.067 -19.900 -2.113 1.00 2.02 O ATOM 0 H TYR A 39 -8.346 -22.062 -7.500 1.00 63.15 H new ATOM 0 HA TYR A 39 -6.342 -22.961 -7.835 1.00 3.11 H new ATOM 0 HB2 TYR A 39 -6.898 -24.922 -5.593 1.00 2.10 H new ATOM 0 HB3 TYR A 39 -5.360 -24.232 -6.073 1.00 2.10 H new ATOM 0 HD1 TYR A 39 -5.697 -21.396 -6.144 1.00 34.10 H new ATOM 0 HD2 TYR A 39 -7.529 -24.175 -3.481 1.00 54.22 H new ATOM 0 HE1 TYR A 39 -5.975 -19.615 -4.477 1.00 40.20 H new ATOM 0 HE2 TYR A 39 -7.811 -22.394 -1.816 1.00 15.51 H new ATOM 0 HH TYR A 39 -7.503 -20.264 -1.315 1.00 2.02 H new ATOM 595 N ASP A 40 -7.656 -24.774 -9.388 1.00 73.21 N ATOM 596 CA ASP A 40 -7.812 -25.898 -10.305 1.00 0.24 C ATOM 597 C ASP A 40 -6.811 -25.806 -11.452 1.00 1.00 C ATOM 598 O ASP A 40 -6.427 -24.712 -11.867 1.00 64.21 O ATOM 599 CB ASP A 40 -9.238 -25.939 -10.857 1.00 65.12 C ATOM 600 CG ASP A 40 -10.113 -26.939 -10.127 1.00 64.15 C ATOM 601 OD1 ASP A 40 -9.911 -27.125 -8.909 1.00 72.34 O ATOM 602 OD2 ASP A 40 -10.998 -27.536 -10.775 1.00 34.43 O ATOM 0 H ASP A 40 -8.001 -23.884 -9.749 1.00 73.21 H new ATOM 0 HA ASP A 40 -7.619 -26.817 -9.751 1.00 0.24 H new ATOM 0 HB2 ASP A 40 -9.683 -24.947 -10.780 1.00 65.12 H new ATOM 0 HB3 ASP A 40 -9.207 -26.193 -11.917 1.00 65.12 H new ATOM 607 N ILE A 41 -6.392 -26.961 -11.959 1.00 10.42 N ATOM 608 CA ILE A 41 -5.436 -27.010 -13.058 1.00 2.22 C ATOM 609 C ILE A 41 -6.135 -27.296 -14.382 1.00 60.24 C ATOM 610 O ILE A 41 -5.684 -26.862 -15.441 1.00 44.12 O ATOM 611 CB ILE A 41 -4.357 -28.082 -12.818 1.00 23.15 C ATOM 612 CG1 ILE A 41 -3.972 -28.127 -11.337 1.00 41.23 C ATOM 613 CG2 ILE A 41 -3.134 -27.806 -13.680 1.00 53.11 C ATOM 614 CD1 ILE A 41 -3.512 -26.793 -10.792 1.00 12.11 C ATOM 0 H ILE A 41 -6.700 -27.875 -11.626 1.00 10.42 H new ATOM 0 HA ILE A 41 -4.959 -26.031 -13.106 1.00 2.22 H new ATOM 0 HB ILE A 41 -4.763 -29.054 -13.099 1.00 23.15 H new ATOM 0 HG12 ILE A 41 -4.829 -28.471 -10.757 1.00 41.23 H new ATOM 0 HG13 ILE A 41 -3.178 -28.860 -11.198 1.00 41.23 H new ATOM 0 HG21 ILE A 41 -2.381 -28.573 -13.499 1.00 53.11 H new ATOM 0 HG22 ILE A 41 -3.420 -27.820 -14.732 1.00 53.11 H new ATOM 0 HG23 ILE A 41 -2.724 -26.828 -13.428 1.00 53.11 H new ATOM 0 HD11 ILE A 41 -3.256 -26.899 -9.738 1.00 12.11 H new ATOM 0 HD12 ILE A 41 -2.636 -26.456 -11.346 1.00 12.11 H new ATOM 0 HD13 ILE A 41 -4.312 -26.061 -10.898 1.00 12.11 H new ATOM 626 N GLY A 42 -7.242 -28.030 -14.315 1.00 10.43 N ATOM 627 CA GLY A 42 -7.987 -28.360 -15.515 1.00 74.12 C ATOM 628 C GLY A 42 -8.947 -27.260 -15.924 1.00 5.44 C ATOM 629 O GLY A 42 -9.415 -27.226 -17.061 1.00 12.01 O ATOM 0 H GLY A 42 -7.636 -28.402 -13.451 1.00 10.43 H new ATOM 0 HA2 GLY A 42 -7.290 -28.551 -16.331 1.00 74.12 H new ATOM 0 HA3 GLY A 42 -8.545 -29.282 -15.350 1.00 74.12 H new ATOM 633 N ALA A 43 -9.241 -26.358 -14.993 1.00 3.32 N ATOM 634 CA ALA A 43 -10.150 -25.251 -15.262 1.00 50.20 C ATOM 635 C ALA A 43 -9.388 -24.017 -15.735 1.00 74.31 C ATOM 636 O ALA A 43 -9.872 -23.263 -16.579 1.00 33.24 O ATOM 637 CB ALA A 43 -10.967 -24.925 -14.020 1.00 70.15 C ATOM 0 H ALA A 43 -8.863 -26.372 -14.046 1.00 3.32 H new ATOM 0 HA ALA A 43 -10.827 -25.555 -16.060 1.00 50.20 H new ATOM 0 HB1 ALA A 43 -11.642 -24.096 -14.235 1.00 70.15 H new ATOM 0 HB2 ALA A 43 -11.548 -25.799 -13.727 1.00 70.15 H new ATOM 0 HB3 ALA A 43 -10.297 -24.646 -13.207 1.00 70.15 H new ATOM 643 N ALA A 44 -8.195 -23.818 -15.186 1.00 2.22 N ATOM 644 CA ALA A 44 -7.366 -22.676 -15.553 1.00 71.30 C ATOM 645 C ALA A 44 -6.678 -22.906 -16.894 1.00 61.32 C ATOM 646 O ALA A 44 -6.169 -21.969 -17.512 1.00 35.54 O ATOM 647 CB ALA A 44 -6.335 -22.402 -14.469 1.00 23.35 C ATOM 0 H ALA A 44 -7.780 -24.432 -14.485 1.00 2.22 H new ATOM 0 HA ALA A 44 -8.014 -21.805 -15.651 1.00 71.30 H new ATOM 0 HB1 ALA A 44 -5.723 -21.547 -14.757 1.00 23.35 H new ATOM 0 HB2 ALA A 44 -6.844 -22.185 -13.530 1.00 23.35 H new ATOM 0 HB3 ALA A 44 -5.698 -23.278 -14.343 1.00 23.35 H new ATOM 653 N LEU A 45 -6.664 -24.158 -17.340 1.00 14.32 N ATOM 654 CA LEU A 45 -6.037 -24.511 -18.609 1.00 34.22 C ATOM 655 C LEU A 45 -6.902 -24.069 -19.785 1.00 70.31 C ATOM 656 O LEU A 45 -6.410 -23.902 -20.901 1.00 74.14 O ATOM 657 CB LEU A 45 -5.795 -26.020 -18.678 1.00 31.04 C ATOM 658 CG LEU A 45 -4.459 -26.511 -18.119 1.00 71.43 C ATOM 659 CD1 LEU A 45 -4.454 -28.028 -18.005 1.00 1.15 C ATOM 660 CD2 LEU A 45 -3.308 -26.037 -18.995 1.00 34.12 C ATOM 0 H LEU A 45 -7.080 -24.945 -16.842 1.00 14.32 H new ATOM 0 HA LEU A 45 -5.080 -23.992 -18.670 1.00 34.22 H new ATOM 0 HB2 LEU A 45 -6.598 -26.522 -18.139 1.00 31.04 H new ATOM 0 HB3 LEU A 45 -5.867 -26.332 -19.720 1.00 31.04 H new ATOM 0 HG LEU A 45 -4.328 -26.091 -17.122 1.00 71.43 H new ATOM 0 HD11 LEU A 45 -3.496 -28.360 -17.606 1.00 1.15 H new ATOM 0 HD12 LEU A 45 -5.255 -28.345 -17.337 1.00 1.15 H new ATOM 0 HD13 LEU A 45 -4.608 -28.467 -18.991 1.00 1.15 H new ATOM 0 HD21 LEU A 45 -2.365 -26.396 -18.582 1.00 34.12 H new ATOM 0 HD22 LEU A 45 -3.434 -26.428 -20.005 1.00 34.12 H new ATOM 0 HD23 LEU A 45 -3.299 -24.947 -19.026 1.00 34.12 H new ATOM 672 N ASP A 46 -8.191 -23.880 -19.527 1.00 12.03 N ATOM 673 CA ASP A 46 -9.124 -23.454 -20.563 1.00 53.13 C ATOM 674 C ASP A 46 -9.595 -22.024 -20.317 1.00 4.14 C ATOM 675 O ASP A 46 -10.664 -21.622 -20.777 1.00 43.41 O ATOM 676 CB ASP A 46 -10.327 -24.398 -20.616 1.00 42.51 C ATOM 677 CG ASP A 46 -10.596 -24.914 -22.016 1.00 31.33 C ATOM 678 OD1 ASP A 46 -10.950 -24.098 -22.891 1.00 45.54 O ATOM 679 OD2 ASP A 46 -10.454 -26.136 -22.235 1.00 54.20 O ATOM 0 H ASP A 46 -8.614 -24.015 -18.609 1.00 12.03 H new ATOM 0 HA ASP A 46 -8.604 -23.486 -21.520 1.00 53.13 H new ATOM 0 HB2 ASP A 46 -10.153 -25.242 -19.948 1.00 42.51 H new ATOM 0 HB3 ASP A 46 -11.211 -23.877 -20.248 1.00 42.51 H new ATOM 684 N THR A 47 -8.789 -21.259 -19.586 1.00 34.14 N ATOM 685 CA THR A 47 -9.124 -19.875 -19.275 1.00 43.14 C ATOM 686 C THR A 47 -8.195 -18.909 -20.002 1.00 53.15 C ATOM 687 O THR A 47 -8.133 -17.725 -19.670 1.00 41.22 O ATOM 688 CB THR A 47 -9.045 -19.604 -17.761 1.00 45.42 C ATOM 689 OG1 THR A 47 -9.580 -20.716 -17.036 1.00 2.14 O ATOM 690 CG2 THR A 47 -9.808 -18.339 -17.397 1.00 74.34 C ATOM 0 H THR A 47 -7.900 -21.575 -19.199 1.00 34.14 H new ATOM 0 HA THR A 47 -10.148 -19.714 -19.612 1.00 43.14 H new ATOM 0 HB THR A 47 -7.997 -19.467 -17.493 1.00 45.42 H new ATOM 0 HG1 THR A 47 -9.135 -21.540 -17.325 1.00 2.14 H new ATOM 0 HG21 THR A 47 -9.738 -18.168 -16.323 1.00 74.34 H new ATOM 0 HG22 THR A 47 -9.379 -17.490 -17.928 1.00 74.34 H new ATOM 0 HG23 THR A 47 -10.855 -18.452 -17.679 1.00 74.34 H new ATOM 698 N ILE A 48 -7.476 -19.421 -20.996 1.00 13.04 N ATOM 699 CA ILE A 48 -6.553 -18.602 -21.771 1.00 25.15 C ATOM 700 C ILE A 48 -6.946 -18.573 -23.243 1.00 55.14 C ATOM 701 O ILE A 48 -6.708 -17.587 -23.940 1.00 13.53 O ATOM 702 CB ILE A 48 -5.106 -19.116 -21.648 1.00 2.22 C ATOM 703 CG1 ILE A 48 -4.909 -19.835 -20.312 1.00 5.13 C ATOM 704 CG2 ILE A 48 -4.121 -17.964 -21.786 1.00 73.33 C ATOM 705 CD1 ILE A 48 -5.221 -21.314 -20.370 1.00 2.25 C ATOM 0 H ILE A 48 -7.515 -20.399 -21.283 1.00 13.04 H new ATOM 0 HA ILE A 48 -6.608 -17.593 -21.363 1.00 25.15 H new ATOM 0 HB ILE A 48 -4.919 -19.827 -22.453 1.00 2.22 H new ATOM 0 HG12 ILE A 48 -3.878 -19.702 -19.986 1.00 5.13 H new ATOM 0 HG13 ILE A 48 -5.544 -19.367 -19.560 1.00 5.13 H new ATOM 0 HG21 ILE A 48 -3.103 -18.343 -21.697 1.00 73.33 H new ATOM 0 HG22 ILE A 48 -4.248 -17.491 -22.760 1.00 73.33 H new ATOM 0 HG23 ILE A 48 -4.305 -17.231 -21.000 1.00 73.33 H new ATOM 0 HD11 ILE A 48 -5.059 -21.759 -19.388 1.00 2.25 H new ATOM 0 HD12 ILE A 48 -6.261 -21.455 -20.666 1.00 2.25 H new ATOM 0 HD13 ILE A 48 -4.568 -21.795 -21.098 1.00 2.25 H new ATOM 717 N GLN A 49 -7.552 -19.660 -23.710 1.00 61.20 N ATOM 718 CA GLN A 49 -7.980 -19.758 -25.100 1.00 71.34 C ATOM 719 C GLN A 49 -8.805 -18.540 -25.503 1.00 32.50 C ATOM 720 O GLN A 49 -8.602 -17.967 -26.573 1.00 50.23 O ATOM 721 CB GLN A 49 -8.795 -21.035 -25.316 1.00 44.04 C ATOM 722 CG GLN A 49 -8.110 -22.289 -24.796 1.00 50.41 C ATOM 723 CD GLN A 49 -6.699 -22.446 -25.327 1.00 3.11 C ATOM 724 OE1 GLN A 49 -6.357 -21.911 -26.382 1.00 4.43 O ATOM 725 NE2 GLN A 49 -5.870 -23.183 -24.597 1.00 31.13 N ATOM 0 H GLN A 49 -7.757 -20.485 -23.146 1.00 61.20 H new ATOM 0 HA GLN A 49 -7.089 -19.794 -25.726 1.00 71.34 H new ATOM 0 HB2 GLN A 49 -9.761 -20.927 -24.823 1.00 44.04 H new ATOM 0 HB3 GLN A 49 -8.993 -21.154 -26.381 1.00 44.04 H new ATOM 0 HG2 GLN A 49 -8.083 -22.258 -23.707 1.00 50.41 H new ATOM 0 HG3 GLN A 49 -8.699 -23.163 -25.076 1.00 50.41 H new ATOM 0 HE21 GLN A 49 -6.196 -23.608 -23.729 1.00 31.13 H new ATOM 0 HE22 GLN A 49 -4.908 -23.324 -24.904 1.00 31.13 H new ATOM 734 N TYR A 50 -9.736 -18.151 -24.639 1.00 74.33 N ATOM 735 CA TYR A 50 -10.594 -17.003 -24.906 1.00 74.03 C ATOM 736 C TYR A 50 -11.434 -16.653 -23.681 1.00 64.51 C ATOM 737 O TYR A 50 -12.027 -17.529 -23.051 1.00 52.41 O ATOM 738 CB TYR A 50 -11.508 -17.289 -26.099 1.00 40.04 C ATOM 739 CG TYR A 50 -12.616 -18.271 -25.792 1.00 65.42 C ATOM 740 CD1 TYR A 50 -13.838 -17.837 -25.294 1.00 41.34 C ATOM 741 CD2 TYR A 50 -12.440 -19.634 -25.999 1.00 4.05 C ATOM 742 CE1 TYR A 50 -14.853 -18.731 -25.012 1.00 4.55 C ATOM 743 CE2 TYR A 50 -13.449 -20.535 -25.720 1.00 11.21 C ATOM 744 CZ TYR A 50 -14.654 -20.078 -25.226 1.00 65.35 C ATOM 745 OH TYR A 50 -15.661 -20.973 -24.946 1.00 52.33 O ATOM 0 H TYR A 50 -9.916 -18.614 -23.748 1.00 74.33 H new ATOM 0 HA TYR A 50 -9.955 -16.152 -25.141 1.00 74.03 H new ATOM 0 HB2 TYR A 50 -11.949 -16.352 -26.441 1.00 40.04 H new ATOM 0 HB3 TYR A 50 -10.907 -17.678 -26.921 1.00 40.04 H new ATOM 0 HD1 TYR A 50 -13.997 -16.782 -25.124 1.00 41.34 H new ATOM 0 HD2 TYR A 50 -11.498 -19.995 -26.385 1.00 4.05 H new ATOM 0 HE1 TYR A 50 -15.797 -18.376 -24.626 1.00 4.55 H new ATOM 0 HE2 TYR A 50 -13.296 -21.591 -25.887 1.00 11.21 H new ATOM 0 HH TYR A 50 -15.358 -21.882 -25.154 1.00 52.33 H new