USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 436 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00386) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.66) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -1.96 F(o=-3.6,f=-2) USER MOD Single : A 29 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-2.6) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0343 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.659 K(o=-0.66,f=-1.6) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -1.57 K(o=-1.6,f=-2.4) USER MOD Single : A 63 LYS NZ :NH3+ -173:sc= 0.282 (180deg=0.231) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 1.278 0.172 -3.520 1.00 41.35 N ATOM 19 CA LYS A 2 0.520 -0.232 -4.698 1.00 53.23 C ATOM 20 C LYS A 2 1.441 -0.427 -5.898 1.00 61.31 C ATOM 21 O LYS A 2 2.467 0.241 -6.022 1.00 4.55 O ATOM 22 CB LYS A 2 -0.548 0.815 -5.027 1.00 23.53 C ATOM 23 CG LYS A 2 -1.563 1.018 -3.915 1.00 65.11 C ATOM 24 CD LYS A 2 -2.233 -0.289 -3.526 1.00 25.23 C ATOM 25 CE LYS A 2 -3.567 -0.048 -2.838 1.00 13.15 C ATOM 26 NZ LYS A 2 -4.175 -1.316 -2.346 1.00 51.53 N ATOM 0 HA LYS A 2 0.034 -1.182 -4.477 1.00 53.23 H new ATOM 0 HB2 LYS A 2 -0.059 1.766 -5.240 1.00 23.53 H new ATOM 0 HB3 LYS A 2 -1.071 0.515 -5.935 1.00 23.53 H new ATOM 0 HG2 LYS A 2 -1.069 1.448 -3.044 1.00 65.11 H new ATOM 0 HG3 LYS A 2 -2.319 1.734 -4.238 1.00 65.11 H new ATOM 0 HD2 LYS A 2 -2.386 -0.899 -4.416 1.00 25.23 H new ATOM 0 HD3 LYS A 2 -1.577 -0.852 -2.862 1.00 25.23 H new ATOM 0 HE2 LYS A 2 -3.426 0.636 -2.001 1.00 13.15 H new ATOM 0 HE3 LYS A 2 -4.252 0.437 -3.533 1.00 13.15 H new ATOM 0 HZ1 LYS A 2 -5.083 -1.109 -1.883 1.00 51.53 H new ATOM 0 HZ2 LYS A 2 -4.334 -1.959 -3.148 1.00 51.53 H new ATOM 0 HZ3 LYS A 2 -3.533 -1.767 -1.663 1.00 51.53 H new ATOM 40 N LYS A 3 1.068 -1.347 -6.781 1.00 73.04 N ATOM 41 CA LYS A 3 1.858 -1.629 -7.973 1.00 65.25 C ATOM 42 C LYS A 3 0.965 -1.746 -9.204 1.00 72.30 C ATOM 43 O LYS A 3 -0.073 -2.407 -9.169 1.00 44.32 O ATOM 44 CB LYS A 3 2.658 -2.920 -7.786 1.00 62.52 C ATOM 45 CG LYS A 3 3.320 -3.034 -6.424 1.00 4.31 C ATOM 46 CD LYS A 3 4.076 -4.344 -6.278 1.00 75.11 C ATOM 47 CE LYS A 3 5.192 -4.462 -7.305 1.00 15.51 C ATOM 48 NZ LYS A 3 4.827 -5.381 -8.418 1.00 33.11 N ATOM 0 H LYS A 3 0.222 -1.911 -6.693 1.00 73.04 H new ATOM 0 HA LYS A 3 2.548 -0.799 -8.125 1.00 65.25 H new ATOM 0 HB2 LYS A 3 1.995 -3.773 -7.931 1.00 62.52 H new ATOM 0 HB3 LYS A 3 3.424 -2.978 -8.559 1.00 62.52 H new ATOM 0 HG2 LYS A 3 4.006 -2.199 -6.281 1.00 4.31 H new ATOM 0 HG3 LYS A 3 2.563 -2.961 -5.643 1.00 4.31 H new ATOM 0 HD2 LYS A 3 4.495 -4.413 -5.274 1.00 75.11 H new ATOM 0 HD3 LYS A 3 3.385 -5.179 -6.393 1.00 75.11 H new ATOM 0 HE2 LYS A 3 5.420 -3.475 -7.709 1.00 15.51 H new ATOM 0 HE3 LYS A 3 6.097 -4.824 -6.818 1.00 15.51 H new ATOM 0 HZ1 LYS A 3 5.592 -5.395 -9.122 1.00 33.11 H new ATOM 0 HZ2 LYS A 3 4.684 -6.340 -8.043 1.00 33.11 H new ATOM 0 HZ3 LYS A 3 3.949 -5.050 -8.868 1.00 33.11 H new ATOM 62 N GLY A 4 1.376 -1.101 -10.292 1.00 35.41 N ATOM 63 CA GLY A 4 0.601 -1.147 -11.518 1.00 60.43 C ATOM 64 C GLY A 4 1.306 -0.468 -12.675 1.00 43.03 C ATOM 65 O GLY A 4 2.340 0.176 -12.491 1.00 72.03 O ATOM 0 H GLY A 4 2.231 -0.548 -10.346 1.00 35.41 H new ATOM 0 HA2 GLY A 4 0.400 -2.186 -11.778 1.00 60.43 H new ATOM 0 HA3 GLY A 4 -0.364 -0.668 -11.353 1.00 60.43 H new ATOM 69 N THR A 5 0.748 -0.612 -13.873 1.00 65.15 N ATOM 70 CA THR A 5 1.332 -0.010 -15.066 1.00 11.04 C ATOM 71 C THR A 5 0.902 1.445 -15.213 1.00 50.12 C ATOM 72 O THR A 5 -0.222 1.809 -14.868 1.00 32.12 O ATOM 73 CB THR A 5 0.934 -0.783 -16.337 1.00 51.54 C ATOM 74 OG1 THR A 5 -0.492 -0.871 -16.431 1.00 13.41 O ATOM 75 CG2 THR A 5 1.534 -2.180 -16.331 1.00 60.35 C ATOM 0 H THR A 5 -0.108 -1.140 -14.043 1.00 65.15 H new ATOM 0 HA THR A 5 2.414 -0.056 -14.947 1.00 11.04 H new ATOM 0 HB THR A 5 1.322 -0.242 -17.200 1.00 51.54 H new ATOM 0 HG1 THR A 5 -0.737 -1.362 -17.243 1.00 13.41 H new ATOM 0 HG21 THR A 5 1.239 -2.707 -17.239 1.00 60.35 H new ATOM 0 HG22 THR A 5 2.621 -2.109 -16.290 1.00 60.35 H new ATOM 0 HG23 THR A 5 1.173 -2.727 -15.460 1.00 60.35 H new ATOM 83 N VAL A 6 1.804 2.274 -15.729 1.00 53.32 N ATOM 84 CA VAL A 6 1.517 3.690 -15.924 1.00 53.44 C ATOM 85 C VAL A 6 0.819 3.931 -17.258 1.00 74.11 C ATOM 86 O VAL A 6 1.094 3.251 -18.247 1.00 53.43 O ATOM 87 CB VAL A 6 2.803 4.536 -15.871 1.00 12.33 C ATOM 88 CG1 VAL A 6 3.363 4.747 -17.269 1.00 74.43 C ATOM 89 CG2 VAL A 6 2.535 5.869 -15.189 1.00 0.53 C ATOM 0 H VAL A 6 2.739 1.989 -16.019 1.00 53.32 H new ATOM 0 HA VAL A 6 0.857 3.993 -15.111 1.00 53.44 H new ATOM 0 HB VAL A 6 3.548 3.996 -15.286 1.00 12.33 H new ATOM 0 HG11 VAL A 6 4.271 5.347 -17.210 1.00 74.43 H new ATOM 0 HG12 VAL A 6 3.594 3.781 -17.718 1.00 74.43 H new ATOM 0 HG13 VAL A 6 2.625 5.265 -17.882 1.00 74.43 H new ATOM 0 HG21 VAL A 6 3.454 6.454 -15.160 1.00 0.53 H new ATOM 0 HG22 VAL A 6 1.774 6.416 -15.746 1.00 0.53 H new ATOM 0 HG23 VAL A 6 2.185 5.693 -14.172 1.00 0.53 H new ATOM 99 N LYS A 7 -0.087 4.903 -17.279 1.00 2.22 N ATOM 100 CA LYS A 7 -0.825 5.236 -18.491 1.00 42.54 C ATOM 101 C LYS A 7 -0.228 6.465 -19.171 1.00 61.53 C ATOM 102 O LYS A 7 -0.305 6.609 -20.391 1.00 62.45 O ATOM 103 CB LYS A 7 -2.298 5.488 -18.164 1.00 33.45 C ATOM 104 CG LYS A 7 -3.197 5.521 -19.388 1.00 22.33 C ATOM 105 CD LYS A 7 -3.436 4.126 -19.942 1.00 44.31 C ATOM 106 CE LYS A 7 -2.687 3.910 -21.249 1.00 13.24 C ATOM 107 NZ LYS A 7 -3.492 4.338 -22.426 1.00 52.21 N ATOM 0 H LYS A 7 -0.328 5.474 -16.469 1.00 2.22 H new ATOM 0 HA LYS A 7 -0.750 4.390 -19.175 1.00 42.54 H new ATOM 0 HB2 LYS A 7 -2.649 4.709 -17.487 1.00 33.45 H new ATOM 0 HB3 LYS A 7 -2.386 6.436 -17.633 1.00 33.45 H new ATOM 0 HG2 LYS A 7 -4.151 5.978 -19.127 1.00 22.33 H new ATOM 0 HG3 LYS A 7 -2.743 6.146 -20.157 1.00 22.33 H new ATOM 0 HD2 LYS A 7 -3.116 3.383 -19.211 1.00 44.31 H new ATOM 0 HD3 LYS A 7 -4.503 3.975 -20.104 1.00 44.31 H new ATOM 0 HE2 LYS A 7 -1.750 4.467 -21.227 1.00 13.24 H new ATOM 0 HE3 LYS A 7 -2.428 2.856 -21.350 1.00 13.24 H new ATOM 0 HZ1 LYS A 7 -2.947 4.175 -23.297 1.00 52.21 H new ATOM 0 HZ2 LYS A 7 -4.374 3.789 -22.461 1.00 52.21 H new ATOM 0 HZ3 LYS A 7 -3.717 5.350 -22.343 1.00 52.21 H new ATOM 121 N TRP A 8 0.367 7.345 -18.375 1.00 0.10 N ATOM 122 CA TRP A 8 0.978 8.560 -18.901 1.00 44.32 C ATOM 123 C TRP A 8 1.683 9.338 -17.795 1.00 42.03 C ATOM 124 O TRP A 8 1.160 9.475 -16.689 1.00 63.31 O ATOM 125 CB TRP A 8 -0.080 9.441 -19.566 1.00 51.55 C ATOM 126 CG TRP A 8 -0.889 10.239 -18.589 1.00 2.23 C ATOM 127 CD1 TRP A 8 -0.534 11.421 -18.004 1.00 14.24 C ATOM 128 CD2 TRP A 8 -2.187 9.911 -18.081 1.00 42.20 C ATOM 129 NE1 TRP A 8 -1.534 11.848 -17.163 1.00 21.23 N ATOM 130 CE2 TRP A 8 -2.559 10.940 -17.193 1.00 62.42 C ATOM 131 CE3 TRP A 8 -3.072 8.850 -18.292 1.00 3.44 C ATOM 132 CZ2 TRP A 8 -3.776 10.935 -16.518 1.00 12.04 C ATOM 133 CZ3 TRP A 8 -4.279 8.847 -17.620 1.00 54.20 C ATOM 134 CH2 TRP A 8 -4.623 9.884 -16.742 1.00 52.05 C ATOM 0 H TRP A 8 0.440 7.240 -17.363 1.00 0.10 H new ATOM 0 HA TRP A 8 1.720 8.271 -19.645 1.00 44.32 H new ATOM 0 HB2 TRP A 8 0.410 10.122 -20.262 1.00 51.55 H new ATOM 0 HB3 TRP A 8 -0.749 8.812 -20.153 1.00 51.55 H new ATOM 0 HD1 TRP A 8 0.395 11.943 -18.177 1.00 14.24 H new ATOM 0 HE1 TRP A 8 -1.516 12.703 -16.607 1.00 21.23 H new ATOM 0 HE3 TRP A 8 -2.817 8.047 -18.968 1.00 3.44 H new ATOM 0 HZ2 TRP A 8 -4.043 11.733 -15.841 1.00 12.04 H new ATOM 0 HZ3 TRP A 8 -4.970 8.031 -17.774 1.00 54.20 H new ATOM 0 HH2 TRP A 8 -5.575 9.853 -16.233 1.00 52.05 H new ATOM 145 N PHE A 9 2.872 9.846 -18.101 1.00 5.23 N ATOM 146 CA PHE A 9 3.649 10.610 -17.131 1.00 42.13 C ATOM 147 C PHE A 9 4.316 11.812 -17.795 1.00 23.45 C ATOM 148 O PHE A 9 5.365 11.683 -18.424 1.00 4.21 O ATOM 149 CB PHE A 9 4.709 9.719 -16.480 1.00 10.44 C ATOM 150 CG PHE A 9 5.698 10.479 -15.642 1.00 71.03 C ATOM 151 CD1 PHE A 9 5.384 10.855 -14.346 1.00 61.12 C ATOM 152 CD2 PHE A 9 6.941 10.818 -16.152 1.00 22.54 C ATOM 153 CE1 PHE A 9 6.292 11.554 -13.573 1.00 31.42 C ATOM 154 CE2 PHE A 9 7.853 11.516 -15.383 1.00 22.31 C ATOM 155 CZ PHE A 9 7.528 11.885 -14.092 1.00 52.34 C ATOM 0 H PHE A 9 3.319 9.743 -19.012 1.00 5.23 H new ATOM 0 HA PHE A 9 2.968 10.974 -16.362 1.00 42.13 H new ATOM 0 HB2 PHE A 9 4.214 8.974 -15.857 1.00 10.44 H new ATOM 0 HB3 PHE A 9 5.245 9.177 -17.259 1.00 10.44 H new ATOM 0 HD1 PHE A 9 4.419 10.599 -13.935 1.00 61.12 H new ATOM 0 HD2 PHE A 9 7.200 10.534 -17.161 1.00 22.54 H new ATOM 0 HE1 PHE A 9 6.035 11.841 -12.564 1.00 31.42 H new ATOM 0 HE2 PHE A 9 8.819 11.773 -15.791 1.00 22.31 H new ATOM 0 HZ PHE A 9 8.239 12.431 -13.490 1.00 52.34 H new ATOM 165 N ASN A 10 3.698 12.979 -17.648 1.00 45.23 N ATOM 166 CA ASN A 10 4.231 14.204 -18.234 1.00 10.33 C ATOM 167 C ASN A 10 5.516 14.630 -17.530 1.00 33.15 C ATOM 168 O ASN A 10 5.499 15.000 -16.356 1.00 30.31 O ATOM 169 CB ASN A 10 3.194 15.327 -18.150 1.00 64.42 C ATOM 170 CG ASN A 10 3.272 16.274 -19.332 1.00 12.23 C ATOM 171 OD1 ASN A 10 3.425 15.846 -20.476 1.00 1.22 O ATOM 172 ND2 ASN A 10 3.166 17.569 -19.059 1.00 10.51 N ATOM 0 H ASN A 10 2.829 13.103 -17.129 1.00 45.23 H new ATOM 0 HA ASN A 10 4.460 14.007 -19.281 1.00 10.33 H new ATOM 0 HB2 ASN A 10 2.195 14.893 -18.101 1.00 64.42 H new ATOM 0 HB3 ASN A 10 3.344 15.888 -17.228 1.00 64.42 H new ATOM 0 HD21 ASN A 10 3.210 18.254 -19.813 1.00 10.51 H new ATOM 0 HD22 ASN A 10 3.040 17.878 -18.095 1.00 10.51 H new ATOM 179 N ALA A 11 6.628 14.575 -18.255 1.00 52.32 N ATOM 180 CA ALA A 11 7.921 14.958 -17.701 1.00 72.54 C ATOM 181 C ALA A 11 8.153 16.459 -17.836 1.00 24.44 C ATOM 182 O ALA A 11 8.958 17.038 -17.107 1.00 41.22 O ATOM 183 CB ALA A 11 9.038 14.185 -18.387 1.00 72.04 C ATOM 0 H ALA A 11 6.660 14.269 -19.227 1.00 52.32 H new ATOM 0 HA ALA A 11 7.922 14.711 -16.639 1.00 72.54 H new ATOM 0 HB1 ALA A 11 9.998 14.481 -17.964 1.00 72.04 H new ATOM 0 HB2 ALA A 11 8.888 13.116 -18.234 1.00 72.04 H new ATOM 0 HB3 ALA A 11 9.029 14.404 -19.455 1.00 72.04 H new ATOM 189 N GLU A 12 7.444 17.081 -18.772 1.00 2.42 N ATOM 190 CA GLU A 12 7.576 18.515 -19.001 1.00 51.43 C ATOM 191 C GLU A 12 7.133 19.306 -17.773 1.00 62.14 C ATOM 192 O GLU A 12 7.855 20.177 -17.288 1.00 10.30 O ATOM 193 CB GLU A 12 6.750 18.938 -20.218 1.00 71.42 C ATOM 194 CG GLU A 12 7.521 18.882 -21.526 1.00 60.33 C ATOM 195 CD GLU A 12 8.372 20.115 -21.755 1.00 5.53 C ATOM 196 OE1 GLU A 12 9.537 20.123 -21.304 1.00 43.40 O ATOM 197 OE2 GLU A 12 7.875 21.073 -22.383 1.00 74.44 O ATOM 0 H GLU A 12 6.773 16.615 -19.383 1.00 2.42 H new ATOM 0 HA GLU A 12 8.627 18.731 -19.191 1.00 51.43 H new ATOM 0 HB2 GLU A 12 5.874 18.293 -20.294 1.00 71.42 H new ATOM 0 HB3 GLU A 12 6.386 19.954 -20.064 1.00 71.42 H new ATOM 0 HG2 GLU A 12 8.160 17.999 -21.529 1.00 60.33 H new ATOM 0 HG3 GLU A 12 6.819 18.771 -22.353 1.00 60.33 H new ATOM 204 N LYS A 13 5.941 18.996 -17.276 1.00 31.33 N ATOM 205 CA LYS A 13 5.400 19.675 -16.104 1.00 71.14 C ATOM 206 C LYS A 13 5.899 19.024 -14.819 1.00 25.53 C ATOM 207 O LYS A 13 6.162 19.704 -13.828 1.00 12.00 O ATOM 208 CB LYS A 13 3.870 19.654 -16.138 1.00 61.23 C ATOM 209 CG LYS A 13 3.273 20.558 -17.203 1.00 33.42 C ATOM 210 CD LYS A 13 3.346 22.020 -16.798 1.00 3.32 C ATOM 211 CE LYS A 13 2.571 22.905 -17.762 1.00 0.22 C ATOM 212 NZ LYS A 13 2.222 24.218 -17.151 1.00 75.31 N ATOM 0 H LYS A 13 5.330 18.278 -17.667 1.00 31.33 H new ATOM 0 HA LYS A 13 5.744 20.709 -16.124 1.00 71.14 H new ATOM 0 HB2 LYS A 13 3.533 18.632 -16.310 1.00 61.23 H new ATOM 0 HB3 LYS A 13 3.489 19.955 -15.162 1.00 61.23 H new ATOM 0 HG2 LYS A 13 3.804 20.413 -18.144 1.00 33.42 H new ATOM 0 HG3 LYS A 13 2.234 20.279 -17.377 1.00 33.42 H new ATOM 0 HD2 LYS A 13 2.946 22.140 -15.791 1.00 3.32 H new ATOM 0 HD3 LYS A 13 4.388 22.339 -16.768 1.00 3.32 H new ATOM 0 HE2 LYS A 13 3.164 23.069 -18.661 1.00 0.22 H new ATOM 0 HE3 LYS A 13 1.659 22.394 -18.071 1.00 0.22 H new ATOM 0 HZ1 LYS A 13 1.695 24.792 -17.839 1.00 75.31 H new ATOM 0 HZ2 LYS A 13 1.634 24.063 -16.307 1.00 75.31 H new ATOM 0 HZ3 LYS A 13 3.093 24.717 -16.879 1.00 75.31 H new ATOM 226 N GLY A 14 6.030 17.700 -14.843 1.00 1.53 N ATOM 227 CA GLY A 14 6.499 16.980 -13.674 1.00 3.14 C ATOM 228 C GLY A 14 5.374 16.295 -12.924 1.00 73.25 C ATOM 229 O GLY A 14 5.351 16.290 -11.693 1.00 74.15 O ATOM 0 H GLY A 14 5.820 17.114 -15.651 1.00 1.53 H new ATOM 0 HA2 GLY A 14 7.233 16.235 -13.981 1.00 3.14 H new ATOM 0 HA3 GLY A 14 7.008 17.673 -13.005 1.00 3.14 H new ATOM 233 N TYR A 15 4.437 15.716 -13.668 1.00 0.24 N ATOM 234 CA TYR A 15 3.301 15.029 -13.066 1.00 73.50 C ATOM 235 C TYR A 15 2.902 13.809 -13.892 1.00 41.42 C ATOM 236 O TYR A 15 3.339 13.647 -15.031 1.00 32.02 O ATOM 237 CB TYR A 15 2.111 15.982 -12.936 1.00 64.53 C ATOM 238 CG TYR A 15 1.384 16.223 -14.240 1.00 2.43 C ATOM 239 CD1 TYR A 15 0.363 15.378 -14.655 1.00 34.01 C ATOM 240 CD2 TYR A 15 1.719 17.296 -15.056 1.00 41.33 C ATOM 241 CE1 TYR A 15 -0.304 15.594 -15.845 1.00 53.53 C ATOM 242 CE2 TYR A 15 1.057 17.521 -16.247 1.00 52.35 C ATOM 243 CZ TYR A 15 0.046 16.668 -16.638 1.00 21.32 C ATOM 244 OH TYR A 15 -0.615 16.888 -17.824 1.00 71.44 O ATOM 0 H TYR A 15 4.442 15.709 -14.688 1.00 0.24 H new ATOM 0 HA TYR A 15 3.598 14.692 -12.073 1.00 73.50 H new ATOM 0 HB2 TYR A 15 1.409 15.576 -12.208 1.00 64.53 H new ATOM 0 HB3 TYR A 15 2.462 16.936 -12.543 1.00 64.53 H new ATOM 0 HD1 TYR A 15 0.086 14.537 -14.036 1.00 34.01 H new ATOM 0 HD2 TYR A 15 2.511 17.966 -14.754 1.00 41.33 H new ATOM 0 HE1 TYR A 15 -1.095 14.926 -16.153 1.00 53.53 H new ATOM 0 HE2 TYR A 15 1.330 18.361 -16.869 1.00 52.35 H new ATOM 0 HH TYR A 15 -0.248 17.685 -18.260 1.00 71.44 H new ATOM 254 N GLY A 16 2.068 12.954 -13.309 1.00 12.14 N ATOM 255 CA GLY A 16 1.623 11.761 -14.004 1.00 32.41 C ATOM 256 C GLY A 16 0.580 10.988 -13.221 1.00 10.24 C ATOM 257 O GLY A 16 0.258 11.341 -12.086 1.00 10.11 O ATOM 0 H GLY A 16 1.692 13.066 -12.367 1.00 12.14 H new ATOM 0 HA2 GLY A 16 1.211 12.042 -14.973 1.00 32.41 H new ATOM 0 HA3 GLY A 16 2.480 11.116 -14.197 1.00 32.41 H new ATOM 261 N PHE A 17 0.049 9.932 -13.827 1.00 61.33 N ATOM 262 CA PHE A 17 -0.966 9.109 -13.180 1.00 61.51 C ATOM 263 C PHE A 17 -0.750 7.631 -13.496 1.00 15.32 C ATOM 264 O PHE A 17 -0.653 7.242 -14.660 1.00 43.40 O ATOM 265 CB PHE A 17 -2.364 9.539 -13.629 1.00 30.12 C ATOM 266 CG PHE A 17 -3.002 10.549 -12.718 1.00 24.43 C ATOM 267 CD1 PHE A 17 -2.528 11.850 -12.665 1.00 34.21 C ATOM 268 CD2 PHE A 17 -4.074 10.197 -11.915 1.00 34.34 C ATOM 269 CE1 PHE A 17 -3.113 12.780 -11.827 1.00 2.51 C ATOM 270 CE2 PHE A 17 -4.663 11.123 -11.075 1.00 13.41 C ATOM 271 CZ PHE A 17 -4.182 12.417 -11.032 1.00 13.22 C ATOM 0 H PHE A 17 0.305 9.626 -14.766 1.00 61.33 H new ATOM 0 HA PHE A 17 -0.879 9.249 -12.103 1.00 61.51 H new ATOM 0 HB2 PHE A 17 -2.302 9.956 -14.634 1.00 30.12 H new ATOM 0 HB3 PHE A 17 -3.005 8.659 -13.688 1.00 30.12 H new ATOM 0 HD1 PHE A 17 -1.693 12.140 -13.285 1.00 34.21 H new ATOM 0 HD2 PHE A 17 -4.454 9.187 -11.946 1.00 34.34 H new ATOM 0 HE1 PHE A 17 -2.734 13.791 -11.794 1.00 2.51 H new ATOM 0 HE2 PHE A 17 -5.498 10.835 -10.453 1.00 13.41 H new ATOM 0 HZ PHE A 17 -4.641 13.143 -10.378 1.00 13.22 H new ATOM 281 N ILE A 18 -0.677 6.814 -12.451 1.00 21.12 N ATOM 282 CA ILE A 18 -0.474 5.380 -12.616 1.00 4.00 C ATOM 283 C ILE A 18 -1.795 4.624 -12.527 1.00 63.35 C ATOM 284 O ILE A 18 -2.733 5.070 -11.868 1.00 22.34 O ATOM 285 CB ILE A 18 0.496 4.823 -11.557 1.00 12.23 C ATOM 286 CG1 ILE A 18 1.823 5.583 -11.599 1.00 1.34 C ATOM 287 CG2 ILE A 18 0.724 3.335 -11.778 1.00 1.33 C ATOM 288 CD1 ILE A 18 2.576 5.557 -10.287 1.00 63.21 C ATOM 0 H ILE A 18 -0.755 7.120 -11.481 1.00 21.12 H new ATOM 0 HA ILE A 18 -0.041 5.235 -13.606 1.00 4.00 H new ATOM 0 HB ILE A 18 0.052 4.960 -10.571 1.00 12.23 H new ATOM 0 HG12 ILE A 18 2.453 5.155 -12.379 1.00 1.34 H new ATOM 0 HG13 ILE A 18 1.630 6.619 -11.878 1.00 1.34 H new ATOM 0 HG21 ILE A 18 1.412 2.956 -11.022 1.00 1.33 H new ATOM 0 HG22 ILE A 18 -0.226 2.806 -11.702 1.00 1.33 H new ATOM 0 HG23 ILE A 18 1.150 3.175 -12.768 1.00 1.33 H new ATOM 0 HD11 ILE A 18 3.506 6.115 -10.390 1.00 63.21 H new ATOM 0 HD12 ILE A 18 1.965 6.012 -9.508 1.00 63.21 H new ATOM 0 HD13 ILE A 18 2.800 4.525 -10.016 1.00 63.21 H new ATOM 300 N GLN A 19 -1.859 3.476 -13.195 1.00 53.32 N ATOM 301 CA GLN A 19 -3.066 2.657 -13.191 1.00 4.24 C ATOM 302 C GLN A 19 -2.758 1.237 -12.728 1.00 4.14 C ATOM 303 O GLN A 19 -1.724 0.670 -13.080 1.00 43.44 O ATOM 304 CB GLN A 19 -3.692 2.627 -14.586 1.00 31.12 C ATOM 305 CG GLN A 19 -3.699 3.980 -15.279 1.00 61.42 C ATOM 306 CD GLN A 19 -4.184 5.096 -14.376 1.00 12.12 C ATOM 307 OE1 GLN A 19 -3.442 6.197 -14.343 1.00 51.21 O flip ATOM 308 NE2 GLN A 19 -5.215 4.971 -13.714 1.00 63.41 N flip ATOM 0 H GLN A 19 -1.090 3.093 -13.745 1.00 53.32 H new ATOM 0 HA GLN A 19 -3.775 3.102 -12.492 1.00 4.24 H new ATOM 0 HB2 GLN A 19 -3.147 1.914 -15.205 1.00 31.12 H new ATOM 0 HB3 GLN A 19 -4.716 2.263 -14.508 1.00 31.12 H new ATOM 0 HG2 GLN A 19 -2.692 4.211 -15.627 1.00 61.42 H new ATOM 0 HG3 GLN A 19 -4.337 3.929 -16.161 1.00 61.42 H new ATOM 0 HE21 GLN A 19 -5.755 4.107 -13.769 1.00 63.41 H new ATOM 0 HE22 GLN A 19 -5.529 5.731 -13.110 1.00 63.41 H new ATOM 385 N ASP A 25 -6.871 5.869 -9.520 1.00 2.12 N ATOM 386 CA ASP A 25 -6.447 7.240 -9.779 1.00 12.32 C ATOM 387 C ASP A 25 -5.461 7.714 -8.716 1.00 10.41 C ATOM 388 O ASP A 25 -5.854 8.072 -7.605 1.00 44.43 O ATOM 389 CB ASP A 25 -7.659 8.172 -9.819 1.00 55.14 C ATOM 390 CG ASP A 25 -8.711 7.799 -8.793 1.00 2.33 C ATOM 391 OD1 ASP A 25 -8.332 7.327 -7.700 1.00 75.53 O ATOM 392 OD2 ASP A 25 -9.912 7.981 -9.081 1.00 41.23 O ATOM 0 HA ASP A 25 -5.948 7.263 -10.748 1.00 12.32 H new ATOM 0 HB2 ASP A 25 -7.332 9.197 -9.643 1.00 55.14 H new ATOM 0 HB3 ASP A 25 -8.101 8.145 -10.815 1.00 55.14 H new ATOM 397 N VAL A 26 -4.178 7.713 -9.064 1.00 10.24 N ATOM 398 CA VAL A 26 -3.135 8.143 -8.140 1.00 11.02 C ATOM 399 C VAL A 26 -2.375 9.344 -8.690 1.00 44.30 C ATOM 400 O VAL A 26 -2.145 9.449 -9.895 1.00 72.42 O ATOM 401 CB VAL A 26 -2.137 7.006 -7.851 1.00 73.23 C ATOM 402 CG1 VAL A 26 -0.870 7.186 -8.672 1.00 44.44 C ATOM 403 CG2 VAL A 26 -1.816 6.944 -6.366 1.00 22.22 C ATOM 0 H VAL A 26 -3.836 7.419 -9.979 1.00 10.24 H new ATOM 0 HA VAL A 26 -3.631 8.425 -7.211 1.00 11.02 H new ATOM 0 HB VAL A 26 -2.596 6.061 -8.140 1.00 73.23 H new ATOM 0 HG11 VAL A 26 -0.177 6.373 -8.454 1.00 44.44 H new ATOM 0 HG12 VAL A 26 -1.119 7.176 -9.733 1.00 44.44 H new ATOM 0 HG13 VAL A 26 -0.404 8.138 -8.418 1.00 44.44 H new ATOM 0 HG21 VAL A 26 -1.110 6.135 -6.180 1.00 22.22 H new ATOM 0 HG22 VAL A 26 -1.376 7.890 -6.049 1.00 22.22 H new ATOM 0 HG23 VAL A 26 -2.732 6.763 -5.803 1.00 22.22 H new ATOM 413 N PHE A 27 -1.985 10.250 -7.799 1.00 32.12 N ATOM 414 CA PHE A 27 -1.250 11.445 -8.195 1.00 11.42 C ATOM 415 C PHE A 27 0.248 11.263 -7.969 1.00 32.31 C ATOM 416 O PHE A 27 0.698 11.074 -6.839 1.00 3.53 O ATOM 417 CB PHE A 27 -1.751 12.661 -7.412 1.00 20.34 C ATOM 418 CG PHE A 27 -1.330 13.973 -8.008 1.00 51.30 C ATOM 419 CD1 PHE A 27 -2.055 14.544 -9.042 1.00 61.52 C ATOM 420 CD2 PHE A 27 -0.210 14.637 -7.534 1.00 52.32 C ATOM 421 CE1 PHE A 27 -1.669 15.751 -9.593 1.00 72.13 C ATOM 422 CE2 PHE A 27 0.180 15.845 -8.081 1.00 41.31 C ATOM 423 CZ PHE A 27 -0.551 16.403 -9.111 1.00 51.23 C ATOM 0 H PHE A 27 -2.166 10.179 -6.798 1.00 32.12 H new ATOM 0 HA PHE A 27 -1.422 11.610 -9.259 1.00 11.42 H new ATOM 0 HB2 PHE A 27 -2.839 12.627 -7.361 1.00 20.34 H new ATOM 0 HB3 PHE A 27 -1.382 12.601 -6.388 1.00 20.34 H new ATOM 0 HD1 PHE A 27 -2.932 14.040 -9.421 1.00 61.52 H new ATOM 0 HD2 PHE A 27 0.365 14.206 -6.728 1.00 52.32 H new ATOM 0 HE1 PHE A 27 -2.241 16.184 -10.400 1.00 72.13 H new ATOM 0 HE2 PHE A 27 1.056 16.352 -7.703 1.00 41.31 H new ATOM 0 HZ PHE A 27 -0.249 17.348 -9.539 1.00 51.23 H new ATOM 433 N VAL A 28 1.015 11.319 -9.053 1.00 0.10 N ATOM 434 CA VAL A 28 2.462 11.160 -8.974 1.00 42.55 C ATOM 435 C VAL A 28 3.180 12.330 -9.638 1.00 41.24 C ATOM 436 O VAL A 28 2.729 12.851 -10.659 1.00 62.33 O ATOM 437 CB VAL A 28 2.920 9.848 -9.638 1.00 51.12 C ATOM 438 CG1 VAL A 28 1.902 8.744 -9.397 1.00 54.20 C ATOM 439 CG2 VAL A 28 3.150 10.057 -11.127 1.00 72.44 C ATOM 0 H VAL A 28 0.658 11.473 -9.996 1.00 0.10 H new ATOM 0 HA VAL A 28 2.720 11.132 -7.915 1.00 42.55 H new ATOM 0 HB VAL A 28 3.864 9.543 -9.187 1.00 51.12 H new ATOM 0 HG11 VAL A 28 2.243 7.825 -9.873 1.00 54.20 H new ATOM 0 HG12 VAL A 28 1.792 8.578 -8.325 1.00 54.20 H new ATOM 0 HG13 VAL A 28 0.941 9.037 -9.819 1.00 54.20 H new ATOM 0 HG21 VAL A 28 3.473 9.120 -11.580 1.00 72.44 H new ATOM 0 HG22 VAL A 28 2.223 10.386 -11.596 1.00 72.44 H new ATOM 0 HG23 VAL A 28 3.919 10.815 -11.273 1.00 72.44 H new ATOM 449 N HIS A 29 4.301 12.739 -9.052 1.00 52.33 N ATOM 450 CA HIS A 29 5.083 13.848 -9.588 1.00 30.12 C ATOM 451 C HIS A 29 6.517 13.412 -9.875 1.00 12.51 C ATOM 452 O HIS A 29 6.998 12.422 -9.324 1.00 74.22 O ATOM 453 CB HIS A 29 5.081 15.022 -8.608 1.00 75.40 C ATOM 454 CG HIS A 29 4.071 16.077 -8.940 1.00 41.02 C ATOM 455 ND1 HIS A 29 4.119 17.354 -8.422 1.00 43.24 N ATOM 456 CD2 HIS A 29 2.983 16.040 -9.745 1.00 21.44 C ATOM 457 CE1 HIS A 29 3.104 18.056 -8.893 1.00 12.14 C ATOM 458 NE2 HIS A 29 2.399 17.282 -9.698 1.00 21.43 N ATOM 0 H HIS A 29 4.688 12.320 -8.207 1.00 52.33 H new ATOM 0 HA HIS A 29 4.624 14.165 -10.524 1.00 30.12 H new ATOM 0 HB2 HIS A 29 4.885 14.646 -7.604 1.00 75.40 H new ATOM 0 HB3 HIS A 29 6.073 15.473 -8.592 1.00 75.40 H new ATOM 0 HD2 HIS A 29 2.639 15.192 -10.318 1.00 21.44 H new ATOM 0 HE1 HIS A 29 2.887 19.088 -8.659 1.00 12.14 H new ATOM 0 HE2 HIS A 29 1.558 17.561 -10.203 1.00 21.43 H new ATOM 466 N PHE A 30 7.195 14.159 -10.741 1.00 35.32 N ATOM 467 CA PHE A 30 8.573 13.849 -11.102 1.00 72.34 C ATOM 468 C PHE A 30 9.460 13.791 -9.863 1.00 25.24 C ATOM 469 O PHE A 30 10.524 13.169 -9.874 1.00 13.42 O ATOM 470 CB PHE A 30 9.113 14.893 -12.082 1.00 13.03 C ATOM 471 CG PHE A 30 9.490 16.191 -11.426 1.00 62.33 C ATOM 472 CD1 PHE A 30 8.517 17.023 -10.897 1.00 44.41 C ATOM 473 CD2 PHE A 30 10.818 16.578 -11.339 1.00 73.41 C ATOM 474 CE1 PHE A 30 8.862 18.218 -10.294 1.00 41.43 C ATOM 475 CE2 PHE A 30 11.169 17.771 -10.737 1.00 15.30 C ATOM 476 CZ PHE A 30 10.189 18.592 -10.213 1.00 3.20 C ATOM 0 H PHE A 30 6.812 14.983 -11.205 1.00 35.32 H new ATOM 0 HA PHE A 30 8.585 12.870 -11.582 1.00 72.34 H new ATOM 0 HB2 PHE A 30 9.986 14.485 -12.591 1.00 13.03 H new ATOM 0 HB3 PHE A 30 8.360 15.086 -12.846 1.00 13.03 H new ATOM 0 HD1 PHE A 30 7.478 16.735 -10.956 1.00 44.41 H new ATOM 0 HD2 PHE A 30 11.588 15.939 -11.747 1.00 73.41 H new ATOM 0 HE1 PHE A 30 8.094 18.859 -9.886 1.00 41.43 H new ATOM 0 HE2 PHE A 30 12.207 18.061 -10.676 1.00 15.30 H new ATOM 0 HZ PHE A 30 10.460 19.525 -9.741 1.00 3.20 H new ATOM 486 N THR A 31 9.017 14.444 -8.793 1.00 74.01 N ATOM 487 CA THR A 31 9.770 14.469 -7.546 1.00 12.23 C ATOM 488 C THR A 31 9.281 13.390 -6.586 1.00 63.25 C ATOM 489 O THR A 31 9.505 13.472 -5.379 1.00 63.42 O ATOM 490 CB THR A 31 9.664 15.841 -6.853 1.00 45.24 C ATOM 491 OG1 THR A 31 8.346 16.374 -7.020 1.00 72.01 O ATOM 492 CG2 THR A 31 10.686 16.814 -7.423 1.00 12.44 C ATOM 0 H THR A 31 8.139 14.963 -8.766 1.00 74.01 H new ATOM 0 HA THR A 31 10.812 14.279 -7.803 1.00 12.23 H new ATOM 0 HB THR A 31 9.868 15.704 -5.791 1.00 45.24 H new ATOM 0 HG1 THR A 31 8.287 17.245 -6.575 1.00 72.01 H new ATOM 0 HG21 THR A 31 10.593 17.776 -6.919 1.00 12.44 H new ATOM 0 HG22 THR A 31 11.690 16.419 -7.268 1.00 12.44 H new ATOM 0 HG23 THR A 31 10.508 16.945 -8.490 1.00 12.44 H new ATOM 500 N ALA A 32 8.613 12.378 -7.132 1.00 5.43 N ATOM 501 CA ALA A 32 8.096 11.281 -6.324 1.00 12.11 C ATOM 502 C ALA A 32 8.648 9.942 -6.799 1.00 70.52 C ATOM 503 O ALA A 32 8.416 8.907 -6.173 1.00 60.22 O ATOM 504 CB ALA A 32 6.575 11.270 -6.361 1.00 53.31 C ATOM 0 H ALA A 32 8.418 12.296 -8.130 1.00 5.43 H new ATOM 0 HA ALA A 32 8.423 11.435 -5.295 1.00 12.11 H new ATOM 0 HB1 ALA A 32 6.202 10.445 -5.753 1.00 53.31 H new ATOM 0 HB2 ALA A 32 6.195 12.212 -5.967 1.00 53.31 H new ATOM 0 HB3 ALA A 32 6.237 11.144 -7.390 1.00 53.31 H new ATOM 510 N ILE A 33 9.378 9.968 -7.909 1.00 3.12 N ATOM 511 CA ILE A 33 9.963 8.755 -8.467 1.00 3.31 C ATOM 512 C ILE A 33 11.345 8.491 -7.879 1.00 22.30 C ATOM 513 O ILE A 33 12.183 9.389 -7.810 1.00 42.13 O ATOM 514 CB ILE A 33 10.078 8.840 -10.000 1.00 72.45 C ATOM 515 CG1 ILE A 33 8.689 8.960 -10.631 1.00 42.35 C ATOM 516 CG2 ILE A 33 10.809 7.621 -10.545 1.00 11.43 C ATOM 517 CD1 ILE A 33 8.270 10.389 -10.900 1.00 73.53 C ATOM 0 H ILE A 33 9.578 10.816 -8.440 1.00 3.12 H new ATOM 0 HA ILE A 33 9.296 7.933 -8.206 1.00 3.31 H new ATOM 0 HB ILE A 33 10.653 9.730 -10.258 1.00 72.45 H new ATOM 0 HG12 ILE A 33 8.675 8.403 -11.568 1.00 42.35 H new ATOM 0 HG13 ILE A 33 7.957 8.493 -9.972 1.00 42.35 H new ATOM 0 HG21 ILE A 33 10.882 7.696 -11.630 1.00 11.43 H new ATOM 0 HG22 ILE A 33 11.810 7.575 -10.116 1.00 11.43 H new ATOM 0 HG23 ILE A 33 10.259 6.718 -10.280 1.00 11.43 H new ATOM 0 HD11 ILE A 33 7.276 10.399 -11.347 1.00 73.53 H new ATOM 0 HD12 ILE A 33 8.252 10.945 -9.963 1.00 73.53 H new ATOM 0 HD13 ILE A 33 8.980 10.854 -11.584 1.00 73.53 H new ATOM 529 N GLU A 34 11.576 7.251 -7.458 1.00 12.02 N ATOM 530 CA GLU A 34 12.857 6.868 -6.877 1.00 2.44 C ATOM 531 C GLU A 34 13.544 5.803 -7.726 1.00 75.24 C ATOM 532 O GLU A 34 13.401 4.607 -7.475 1.00 72.42 O ATOM 533 CB GLU A 34 12.661 6.351 -5.450 1.00 62.52 C ATOM 534 CG GLU A 34 11.727 7.209 -4.614 1.00 71.21 C ATOM 535 CD GLU A 34 12.323 7.582 -3.271 1.00 31.24 C ATOM 536 OE1 GLU A 34 13.147 6.802 -2.749 1.00 71.33 O ATOM 537 OE2 GLU A 34 11.965 8.655 -2.741 1.00 21.32 O ATOM 0 H GLU A 34 10.893 6.495 -7.509 1.00 12.02 H new ATOM 0 HA GLU A 34 13.493 7.752 -6.851 1.00 2.44 H new ATOM 0 HB2 GLU A 34 12.268 5.335 -5.492 1.00 62.52 H new ATOM 0 HB3 GLU A 34 13.631 6.297 -4.956 1.00 62.52 H new ATOM 0 HG2 GLU A 34 11.484 8.118 -5.165 1.00 71.21 H new ATOM 0 HG3 GLU A 34 10.791 6.673 -4.456 1.00 71.21 H new ATOM 650 N ASN A 42 7.692 5.083 -17.562 1.00 40.41 N ATOM 651 CA ASN A 42 7.530 4.828 -18.989 1.00 34.43 C ATOM 652 C ASN A 42 6.099 4.403 -19.306 1.00 21.42 C ATOM 653 O ASN A 42 5.565 3.481 -18.690 1.00 55.01 O ATOM 654 CB ASN A 42 8.509 3.746 -19.449 1.00 32.43 C ATOM 655 CG ASN A 42 9.906 4.289 -19.677 1.00 0.34 C ATOM 656 OD1 ASN A 42 10.292 4.586 -20.807 1.00 70.34 O ATOM 657 ND2 ASN A 42 10.672 4.423 -18.600 1.00 33.42 N ATOM 0 HA ASN A 42 7.743 5.753 -19.525 1.00 34.43 H new ATOM 0 HB2 ASN A 42 8.548 2.954 -18.702 1.00 32.43 H new ATOM 0 HB3 ASN A 42 8.142 3.296 -20.372 1.00 32.43 H new ATOM 0 HD21 ASN A 42 11.621 4.785 -18.691 1.00 33.42 H new ATOM 0 HD22 ASN A 42 10.311 4.164 -17.682 1.00 33.42 H new ATOM 664 N GLU A 43 5.486 5.081 -20.271 1.00 0.02 N ATOM 665 CA GLU A 43 4.117 4.773 -20.669 1.00 45.41 C ATOM 666 C GLU A 43 3.993 3.317 -21.109 1.00 10.35 C ATOM 667 O GLU A 43 4.657 2.882 -22.049 1.00 14.43 O ATOM 668 CB GLU A 43 3.672 5.700 -21.803 1.00 22.53 C ATOM 669 CG GLU A 43 2.295 5.369 -22.353 1.00 11.40 C ATOM 670 CD GLU A 43 1.970 6.145 -23.615 1.00 35.12 C ATOM 671 OE1 GLU A 43 2.286 5.648 -24.716 1.00 23.14 O ATOM 672 OE2 GLU A 43 1.397 7.249 -23.501 1.00 5.33 O ATOM 0 H GLU A 43 5.915 5.846 -20.791 1.00 0.02 H new ATOM 0 HA GLU A 43 3.470 4.930 -19.806 1.00 45.41 H new ATOM 0 HB2 GLU A 43 3.672 6.728 -21.442 1.00 22.53 H new ATOM 0 HB3 GLU A 43 4.400 5.646 -22.612 1.00 22.53 H new ATOM 0 HG2 GLU A 43 2.239 4.301 -22.563 1.00 11.40 H new ATOM 0 HG3 GLU A 43 1.543 5.585 -21.594 1.00 11.40 H new ATOM 679 N GLY A 44 3.137 2.568 -20.420 1.00 2.34 N ATOM 680 CA GLY A 44 2.941 1.169 -20.752 1.00 42.43 C ATOM 681 C GLY A 44 3.873 0.254 -19.982 1.00 52.34 C ATOM 682 O GLY A 44 3.934 -0.945 -20.249 1.00 35.54 O ATOM 0 H GLY A 44 2.576 2.905 -19.638 1.00 2.34 H new ATOM 0 HA2 GLY A 44 1.908 0.890 -20.542 1.00 42.43 H new ATOM 0 HA3 GLY A 44 3.099 1.027 -21.821 1.00 42.43 H new ATOM 686 N GLU A 45 4.601 0.822 -19.027 1.00 4.44 N ATOM 687 CA GLU A 45 5.536 0.049 -18.218 1.00 63.31 C ATOM 688 C GLU A 45 5.000 -0.146 -16.803 1.00 32.02 C ATOM 689 O GLU A 45 4.118 0.588 -16.355 1.00 20.54 O ATOM 690 CB GLU A 45 6.898 0.744 -18.168 1.00 3.23 C ATOM 691 CG GLU A 45 7.970 -0.067 -17.460 1.00 22.13 C ATOM 692 CD GLU A 45 9.361 0.211 -17.995 1.00 5.43 C ATOM 693 OE1 GLU A 45 9.970 1.216 -17.572 1.00 41.41 O ATOM 694 OE2 GLU A 45 9.841 -0.577 -18.836 1.00 44.44 O ATOM 0 H GLU A 45 4.562 1.814 -18.794 1.00 4.44 H new ATOM 0 HA GLU A 45 5.653 -0.931 -18.682 1.00 63.31 H new ATOM 0 HB2 GLU A 45 7.227 0.954 -19.186 1.00 3.23 H new ATOM 0 HB3 GLU A 45 6.788 1.704 -17.664 1.00 3.23 H new ATOM 0 HG2 GLU A 45 7.944 0.156 -16.393 1.00 22.13 H new ATOM 0 HG3 GLU A 45 7.748 -1.129 -17.569 1.00 22.13 H new ATOM 701 N HIS A 46 5.538 -1.140 -16.104 1.00 20.42 N ATOM 702 CA HIS A 46 5.114 -1.433 -14.739 1.00 40.41 C ATOM 703 C HIS A 46 5.932 -0.629 -13.732 1.00 73.14 C ATOM 704 O HIS A 46 7.137 -0.444 -13.903 1.00 31.25 O ATOM 705 CB HIS A 46 5.252 -2.927 -14.449 1.00 20.43 C ATOM 706 CG HIS A 46 4.809 -3.801 -15.581 1.00 74.05 C ATOM 707 ND1 HIS A 46 3.573 -4.411 -15.622 1.00 74.02 N ATOM 708 CD2 HIS A 46 5.444 -4.165 -16.720 1.00 54.43 C ATOM 709 CE1 HIS A 46 3.467 -5.113 -16.736 1.00 62.41 C ATOM 710 NE2 HIS A 46 4.589 -4.980 -17.420 1.00 60.24 N ATOM 0 H HIS A 46 6.269 -1.756 -16.460 1.00 20.42 H new ATOM 0 HA HIS A 46 4.067 -1.147 -14.641 1.00 40.41 H new ATOM 0 HB2 HIS A 46 6.293 -3.149 -14.216 1.00 20.43 H new ATOM 0 HB3 HIS A 46 4.668 -3.172 -13.562 1.00 20.43 H new ATOM 0 HD2 HIS A 46 6.438 -3.869 -17.022 1.00 54.43 H new ATOM 0 HE1 HIS A 46 2.609 -5.696 -17.036 1.00 62.41 H new ATOM 0 HE2 HIS A 46 4.788 -5.413 -18.322 1.00 60.24 H new ATOM 718 N VAL A 47 5.268 -0.153 -12.684 1.00 0.13 N ATOM 719 CA VAL A 47 5.933 0.630 -11.649 1.00 41.54 C ATOM 720 C VAL A 47 5.144 0.602 -10.346 1.00 15.34 C ATOM 721 O VAL A 47 3.915 0.669 -10.352 1.00 31.34 O ATOM 722 CB VAL A 47 6.124 2.094 -12.090 1.00 1.14 C ATOM 723 CG1 VAL A 47 7.301 2.215 -13.046 1.00 1.14 C ATOM 724 CG2 VAL A 47 4.851 2.628 -12.728 1.00 50.41 C ATOM 0 H VAL A 47 4.270 -0.296 -12.529 1.00 0.13 H new ATOM 0 HA VAL A 47 6.911 0.176 -11.487 1.00 41.54 H new ATOM 0 HB VAL A 47 6.341 2.696 -11.207 1.00 1.14 H new ATOM 0 HG11 VAL A 47 7.420 3.256 -13.346 1.00 1.14 H new ATOM 0 HG12 VAL A 47 8.210 1.874 -12.549 1.00 1.14 H new ATOM 0 HG13 VAL A 47 7.118 1.601 -13.928 1.00 1.14 H new ATOM 0 HG21 VAL A 47 5.004 3.663 -13.034 1.00 50.41 H new ATOM 0 HG22 VAL A 47 4.601 2.025 -13.601 1.00 50.41 H new ATOM 0 HG23 VAL A 47 4.035 2.579 -12.007 1.00 50.41 H new ATOM 734 N GLU A 48 5.858 0.504 -9.229 1.00 64.01 N ATOM 735 CA GLU A 48 5.223 0.467 -7.917 1.00 64.20 C ATOM 736 C GLU A 48 5.229 1.849 -7.271 1.00 15.23 C ATOM 737 O GLU A 48 6.277 2.482 -7.140 1.00 33.55 O ATOM 738 CB GLU A 48 5.938 -0.536 -7.008 1.00 53.23 C ATOM 739 CG GLU A 48 5.628 -0.347 -5.533 1.00 25.54 C ATOM 740 CD GLU A 48 6.305 -1.385 -4.658 1.00 3.33 C ATOM 741 OE1 GLU A 48 6.467 -2.534 -5.119 1.00 31.35 O ATOM 742 OE2 GLU A 48 6.673 -1.048 -3.513 1.00 50.41 O ATOM 0 H GLU A 48 6.876 0.449 -9.207 1.00 64.01 H new ATOM 0 HA GLU A 48 4.188 0.152 -8.051 1.00 64.20 H new ATOM 0 HB2 GLU A 48 5.656 -1.547 -7.303 1.00 53.23 H new ATOM 0 HB3 GLU A 48 7.014 -0.448 -7.159 1.00 53.23 H new ATOM 0 HG2 GLU A 48 5.947 0.648 -5.223 1.00 25.54 H new ATOM 0 HG3 GLU A 48 4.550 -0.398 -5.383 1.00 25.54 H new ATOM 749 N PHE A 49 4.049 2.312 -6.869 1.00 45.41 N ATOM 750 CA PHE A 49 3.917 3.620 -6.238 1.00 13.31 C ATOM 751 C PHE A 49 3.341 3.489 -4.831 1.00 1.12 C ATOM 752 O PHE A 49 2.524 2.609 -4.564 1.00 14.24 O ATOM 753 CB PHE A 49 3.023 4.530 -7.084 1.00 4.12 C ATOM 754 CG PHE A 49 1.689 3.924 -7.410 1.00 74.14 C ATOM 755 CD1 PHE A 49 1.558 3.026 -8.458 1.00 1.14 C ATOM 756 CD2 PHE A 49 0.564 4.252 -6.670 1.00 41.45 C ATOM 757 CE1 PHE A 49 0.331 2.466 -8.761 1.00 3.14 C ATOM 758 CE2 PHE A 49 -0.665 3.695 -6.969 1.00 12.45 C ATOM 759 CZ PHE A 49 -0.782 2.802 -8.016 1.00 10.24 C ATOM 0 H PHE A 49 3.172 1.801 -6.969 1.00 45.41 H new ATOM 0 HA PHE A 49 4.910 4.063 -6.166 1.00 13.31 H new ATOM 0 HB2 PHE A 49 2.867 5.468 -6.552 1.00 4.12 H new ATOM 0 HB3 PHE A 49 3.540 4.772 -8.013 1.00 4.12 H new ATOM 0 HD1 PHE A 49 2.425 2.761 -9.045 1.00 1.14 H new ATOM 0 HD2 PHE A 49 0.649 4.951 -5.851 1.00 41.45 H new ATOM 0 HE1 PHE A 49 0.243 1.767 -9.579 1.00 3.14 H new ATOM 0 HE2 PHE A 49 -1.534 3.958 -6.384 1.00 12.45 H new ATOM 0 HZ PHE A 49 -1.742 2.367 -8.252 1.00 10.24 H new ATOM 769 N GLU A 50 3.775 4.371 -3.936 1.00 22.13 N ATOM 770 CA GLU A 50 3.304 4.353 -2.556 1.00 22.32 C ATOM 771 C GLU A 50 2.363 5.524 -2.286 1.00 64.45 C ATOM 772 O GLU A 50 2.805 6.648 -2.052 1.00 43.51 O ATOM 773 CB GLU A 50 4.489 4.403 -1.588 1.00 73.05 C ATOM 774 CG GLU A 50 5.212 3.075 -1.442 1.00 72.31 C ATOM 775 CD GLU A 50 4.608 2.197 -0.363 1.00 15.41 C ATOM 776 OE1 GLU A 50 3.438 2.431 0.007 1.00 41.30 O ATOM 777 OE2 GLU A 50 5.305 1.276 0.111 1.00 10.24 O ATOM 0 H GLU A 50 4.451 5.106 -4.142 1.00 22.13 H new ATOM 0 HA GLU A 50 2.755 3.425 -2.399 1.00 22.32 H new ATOM 0 HB2 GLU A 50 5.197 5.157 -1.933 1.00 73.05 H new ATOM 0 HB3 GLU A 50 4.134 4.723 -0.609 1.00 73.05 H new ATOM 0 HG2 GLU A 50 5.185 2.545 -2.394 1.00 72.31 H new ATOM 0 HG3 GLU A 50 6.261 3.260 -1.210 1.00 72.31 H new ATOM 784 N VAL A 51 1.063 5.251 -2.322 1.00 71.45 N ATOM 785 CA VAL A 51 0.059 6.280 -2.082 1.00 73.01 C ATOM 786 C VAL A 51 0.170 6.837 -0.667 1.00 63.22 C ATOM 787 O VAL A 51 0.115 6.091 0.310 1.00 75.34 O ATOM 788 CB VAL A 51 -1.366 5.735 -2.297 1.00 1.33 C ATOM 789 CG1 VAL A 51 -1.528 5.206 -3.714 1.00 4.24 C ATOM 790 CG2 VAL A 51 -1.682 4.653 -1.275 1.00 44.14 C ATOM 0 H VAL A 51 0.680 4.325 -2.515 1.00 71.45 H new ATOM 0 HA VAL A 51 0.247 7.079 -2.800 1.00 73.01 H new ATOM 0 HB VAL A 51 -2.074 6.552 -2.158 1.00 1.33 H new ATOM 0 HG11 VAL A 51 -2.541 4.825 -3.847 1.00 4.24 H new ATOM 0 HG12 VAL A 51 -1.347 6.011 -4.426 1.00 4.24 H new ATOM 0 HG13 VAL A 51 -0.813 4.402 -3.886 1.00 4.24 H new ATOM 0 HG21 VAL A 51 -2.692 4.279 -1.441 1.00 44.14 H new ATOM 0 HG22 VAL A 51 -0.970 3.834 -1.380 1.00 44.14 H new ATOM 0 HG23 VAL A 51 -1.610 5.069 -0.270 1.00 44.14 H new ATOM 800 N GLU A 52 0.328 8.153 -0.566 1.00 32.12 N ATOM 801 CA GLU A 52 0.448 8.810 0.731 1.00 75.53 C ATOM 802 C GLU A 52 -0.748 9.721 0.991 1.00 12.24 C ATOM 803 O GLU A 52 -1.441 10.156 0.072 1.00 52.45 O ATOM 804 CB GLU A 52 1.744 9.619 0.800 1.00 63.34 C ATOM 805 CG GLU A 52 2.809 8.989 1.682 1.00 72.40 C ATOM 806 CD GLU A 52 2.813 7.474 1.600 1.00 10.42 C ATOM 807 OE1 GLU A 52 2.720 6.942 0.474 1.00 20.55 O ATOM 808 OE2 GLU A 52 2.909 6.823 2.661 1.00 72.41 O ATOM 0 H GLU A 52 0.376 8.785 -1.365 1.00 32.12 H new ATOM 0 HA GLU A 52 0.469 8.038 1.500 1.00 75.53 H new ATOM 0 HB2 GLU A 52 2.142 9.738 -0.208 1.00 63.34 H new ATOM 0 HB3 GLU A 52 1.519 10.618 1.174 1.00 63.34 H new ATOM 0 HG2 GLU A 52 3.788 9.368 1.389 1.00 72.40 H new ATOM 0 HG3 GLU A 52 2.646 9.293 2.716 1.00 72.40 H new ATOM 815 N PRO A 53 -0.997 10.017 2.276 1.00 51.13 N ATOM 816 CA PRO A 53 -2.109 10.879 2.688 1.00 4.23 C ATOM 817 C PRO A 53 -1.890 12.336 2.293 1.00 33.30 C ATOM 818 O PRO A 53 -2.299 12.764 1.215 1.00 40.42 O ATOM 819 CB PRO A 53 -2.123 10.735 4.212 1.00 4.01 C ATOM 820 CG PRO A 53 -0.726 10.360 4.570 1.00 2.50 C ATOM 821 CD PRO A 53 -0.212 9.533 3.424 1.00 53.51 C ATOM 0 HA PRO A 53 -3.046 10.592 2.210 1.00 4.23 H new ATOM 0 HB2 PRO A 53 -2.419 11.666 4.695 1.00 4.01 H new ATOM 0 HB3 PRO A 53 -2.832 9.971 4.531 1.00 4.01 H new ATOM 0 HG2 PRO A 53 -0.110 11.247 4.718 1.00 2.50 H new ATOM 0 HG3 PRO A 53 -0.700 9.795 5.502 1.00 2.50 H new ATOM 0 HD2 PRO A 53 0.857 9.680 3.270 1.00 53.51 H new ATOM 0 HD3 PRO A 53 -0.366 8.468 3.596 1.00 53.51 H new ATOM 829 N GLY A 54 -1.242 13.093 3.174 1.00 73.54 N ATOM 830 CA GLY A 54 -0.981 14.493 2.898 1.00 42.04 C ATOM 831 C GLY A 54 0.179 14.689 1.941 1.00 73.30 C ATOM 832 O GLY A 54 1.149 15.374 2.263 1.00 3.04 O ATOM 0 H GLY A 54 -0.894 12.761 4.073 1.00 73.54 H new ATOM 0 HA2 GLY A 54 -1.876 14.950 2.477 1.00 42.04 H new ATOM 0 HA3 GLY A 54 -0.768 15.011 3.833 1.00 42.04 H new ATOM 836 N ARG A 55 0.079 14.084 0.762 1.00 43.24 N ATOM 837 CA ARG A 55 1.130 14.193 -0.244 1.00 15.13 C ATOM 838 C ARG A 55 0.542 14.539 -1.609 1.00 33.23 C ATOM 839 O ARG A 55 1.090 15.360 -2.342 1.00 43.12 O ATOM 840 CB ARG A 55 1.918 12.885 -0.332 1.00 74.14 C ATOM 841 CG ARG A 55 2.934 12.710 0.784 1.00 65.43 C ATOM 842 CD ARG A 55 4.065 13.720 0.671 1.00 40.40 C ATOM 843 NE ARG A 55 5.058 13.551 1.729 1.00 50.15 N ATOM 844 CZ ARG A 55 6.050 14.406 1.948 1.00 4.35 C ATOM 845 NH1 ARG A 55 6.181 15.485 1.189 1.00 61.03 N ATOM 846 NH2 ARG A 55 6.914 14.183 2.931 1.00 44.44 N ATOM 0 H ARG A 55 -0.718 13.514 0.480 1.00 43.24 H new ATOM 0 HA ARG A 55 1.804 14.996 0.056 1.00 15.13 H new ATOM 0 HB2 ARG A 55 1.220 12.048 -0.311 1.00 74.14 H new ATOM 0 HB3 ARG A 55 2.434 12.845 -1.291 1.00 74.14 H new ATOM 0 HG2 ARG A 55 2.439 12.822 1.749 1.00 65.43 H new ATOM 0 HG3 ARG A 55 3.342 11.700 0.751 1.00 65.43 H new ATOM 0 HD2 ARG A 55 4.549 13.615 -0.300 1.00 40.40 H new ATOM 0 HD3 ARG A 55 3.656 14.729 0.716 1.00 40.40 H new ATOM 0 HE ARG A 55 4.985 12.732 2.332 1.00 50.15 H new ATOM 0 HH11 ARG A 55 5.518 15.661 0.434 1.00 61.03 H new ATOM 0 HH12 ARG A 55 6.944 16.139 1.360 1.00 61.03 H new ATOM 0 HH21 ARG A 55 6.816 13.355 3.518 1.00 44.44 H new ATOM 0 HH22 ARG A 55 7.676 14.840 3.099 1.00 44.44 H new ATOM 860 N GLY A 56 -0.578 13.905 -1.943 1.00 73.10 N ATOM 861 CA GLY A 56 -1.221 14.158 -3.219 1.00 54.11 C ATOM 862 C GLY A 56 -2.304 15.214 -3.123 1.00 52.51 C ATOM 863 O GLY A 56 -3.109 15.206 -2.193 1.00 21.15 O ATOM 0 H GLY A 56 -1.051 13.221 -1.353 1.00 73.10 H new ATOM 0 HA2 GLY A 56 -0.471 14.476 -3.944 1.00 54.11 H new ATOM 0 HA3 GLY A 56 -1.654 13.231 -3.594 1.00 54.11 H new ATOM 867 N GLY A 57 -2.324 16.129 -4.088 1.00 1.31 N ATOM 868 CA GLY A 57 -3.319 17.186 -4.088 1.00 71.44 C ATOM 869 C GLY A 57 -4.724 16.659 -3.873 1.00 21.32 C ATOM 870 O GLY A 57 -5.554 17.319 -3.247 1.00 61.14 O ATOM 0 H GLY A 57 -1.669 16.157 -4.869 1.00 1.31 H new ATOM 0 HA2 GLY A 57 -3.080 17.906 -3.305 1.00 71.44 H new ATOM 0 HA3 GLY A 57 -3.276 17.721 -5.037 1.00 71.44 H new ATOM 874 N LYS A 58 -4.993 15.466 -4.393 1.00 52.11 N ATOM 875 CA LYS A 58 -6.307 14.850 -4.255 1.00 74.25 C ATOM 876 C LYS A 58 -6.335 13.884 -3.075 1.00 4.42 C ATOM 877 O LYS A 58 -7.397 13.581 -2.533 1.00 63.22 O ATOM 878 CB LYS A 58 -6.684 14.110 -5.541 1.00 42.34 C ATOM 879 CG LYS A 58 -7.479 14.957 -6.520 1.00 11.44 C ATOM 880 CD LYS A 58 -6.576 15.614 -7.551 1.00 35.50 C ATOM 881 CE LYS A 58 -6.310 14.688 -8.728 1.00 31.30 C ATOM 882 NZ LYS A 58 -6.035 15.447 -9.979 1.00 72.44 N ATOM 0 H LYS A 58 -4.318 14.906 -4.914 1.00 52.11 H new ATOM 0 HA LYS A 58 -7.033 15.642 -4.071 1.00 74.25 H new ATOM 0 HB2 LYS A 58 -5.774 13.762 -6.030 1.00 42.34 H new ATOM 0 HB3 LYS A 58 -7.266 13.225 -5.284 1.00 42.34 H new ATOM 0 HG2 LYS A 58 -8.217 14.334 -7.026 1.00 11.44 H new ATOM 0 HG3 LYS A 58 -8.029 15.724 -5.975 1.00 11.44 H new ATOM 0 HD2 LYS A 58 -7.038 16.534 -7.908 1.00 35.50 H new ATOM 0 HD3 LYS A 58 -5.631 15.892 -7.084 1.00 35.50 H new ATOM 0 HE2 LYS A 58 -5.460 14.045 -8.499 1.00 31.30 H new ATOM 0 HE3 LYS A 58 -7.171 14.037 -8.880 1.00 31.30 H new ATOM 0 HZ1 LYS A 58 -5.859 14.781 -10.758 1.00 72.44 H new ATOM 0 HZ2 LYS A 58 -6.856 16.042 -10.212 1.00 72.44 H new ATOM 0 HZ3 LYS A 58 -5.198 16.049 -9.843 1.00 72.44 H new ATOM 896 N GLY A 59 -5.159 13.406 -2.680 1.00 4.13 N ATOM 897 CA GLY A 59 -5.071 12.481 -1.565 1.00 5.42 C ATOM 898 C GLY A 59 -3.920 11.505 -1.710 1.00 41.44 C ATOM 899 O GLY A 59 -2.783 11.793 -1.337 1.00 4.21 O ATOM 0 H GLY A 59 -4.266 13.643 -3.112 1.00 4.13 H new ATOM 0 HA2 GLY A 59 -4.952 13.043 -0.639 1.00 5.42 H new ATOM 0 HA3 GLY A 59 -6.006 11.926 -1.483 1.00 5.42 H new ATOM 903 N PRO A 60 -4.212 10.319 -2.264 1.00 23.00 N ATOM 904 CA PRO A 60 -3.206 9.273 -2.470 1.00 22.44 C ATOM 905 C PRO A 60 -2.199 9.641 -3.554 1.00 11.31 C ATOM 906 O PRO A 60 -2.555 9.772 -4.725 1.00 30.34 O ATOM 907 CB PRO A 60 -4.037 8.062 -2.901 1.00 22.41 C ATOM 908 CG PRO A 60 -5.272 8.643 -3.498 1.00 21.13 C ATOM 909 CD PRO A 60 -5.546 9.908 -2.732 1.00 61.13 C ATOM 0 HA PRO A 60 -2.608 9.101 -1.575 1.00 22.44 H new ATOM 0 HB2 PRO A 60 -3.498 7.449 -3.624 1.00 22.41 H new ATOM 0 HB3 PRO A 60 -4.272 7.421 -2.052 1.00 22.41 H new ATOM 0 HG2 PRO A 60 -5.132 8.852 -4.559 1.00 21.13 H new ATOM 0 HG3 PRO A 60 -6.108 7.949 -3.417 1.00 21.13 H new ATOM 0 HD2 PRO A 60 -6.002 10.670 -3.364 1.00 61.13 H new ATOM 0 HD3 PRO A 60 -6.228 9.734 -1.900 1.00 61.13 H new ATOM 917 N GLN A 61 -0.942 9.807 -3.156 1.00 1.21 N ATOM 918 CA GLN A 61 0.116 10.161 -4.095 1.00 52.21 C ATOM 919 C GLN A 61 1.205 9.094 -4.116 1.00 73.43 C ATOM 920 O GLN A 61 1.355 8.327 -3.165 1.00 54.14 O ATOM 921 CB GLN A 61 0.721 11.517 -3.727 1.00 22.21 C ATOM 922 CG GLN A 61 2.172 11.672 -4.155 1.00 34.21 C ATOM 923 CD GLN A 61 2.703 13.072 -3.920 1.00 51.13 C ATOM 924 OE1 GLN A 61 2.093 14.058 -4.337 1.00 24.33 O ATOM 925 NE2 GLN A 61 3.845 13.168 -3.250 1.00 21.41 N ATOM 0 H GLN A 61 -0.631 9.702 -2.190 1.00 1.21 H new ATOM 0 HA GLN A 61 -0.323 10.225 -5.091 1.00 52.21 H new ATOM 0 HB2 GLN A 61 0.128 12.307 -4.188 1.00 22.21 H new ATOM 0 HB3 GLN A 61 0.652 11.655 -2.648 1.00 22.21 H new ATOM 0 HG2 GLN A 61 2.787 10.958 -3.607 1.00 34.21 H new ATOM 0 HG3 GLN A 61 2.263 11.426 -5.213 1.00 34.21 H new ATOM 0 HE21 GLN A 61 4.317 12.325 -2.923 1.00 21.41 H new ATOM 0 HE22 GLN A 61 4.251 14.085 -3.062 1.00 21.41 H new ATOM 934 N ALA A 62 1.962 9.050 -5.208 1.00 21.55 N ATOM 935 CA ALA A 62 3.038 8.077 -5.352 1.00 2.03 C ATOM 936 C ALA A 62 4.275 8.507 -4.571 1.00 4.41 C ATOM 937 O ALA A 62 5.359 8.657 -5.137 1.00 33.14 O ATOM 938 CB ALA A 62 3.380 7.883 -6.821 1.00 65.44 C ATOM 0 H ALA A 62 1.850 9.676 -6.005 1.00 21.55 H new ATOM 0 HA ALA A 62 2.694 7.128 -4.942 1.00 2.03 H new ATOM 0 HB1 ALA A 62 4.185 7.154 -6.914 1.00 65.44 H new ATOM 0 HB2 ALA A 62 2.501 7.523 -7.355 1.00 65.44 H new ATOM 0 HB3 ALA A 62 3.700 8.833 -7.249 1.00 65.44 H new ATOM 944 N LYS A 63 4.107 8.706 -3.268 1.00 5.20 N ATOM 945 CA LYS A 63 5.210 9.119 -2.408 1.00 42.11 C ATOM 946 C LYS A 63 6.472 8.320 -2.720 1.00 12.51 C ATOM 947 O LYS A 63 7.580 8.856 -2.695 1.00 62.11 O ATOM 948 CB LYS A 63 4.831 8.940 -0.936 1.00 41.03 C ATOM 949 CG LYS A 63 5.987 9.170 0.022 1.00 60.22 C ATOM 950 CD LYS A 63 6.002 10.596 0.545 1.00 2.24 C ATOM 951 CE LYS A 63 6.186 11.602 -0.581 1.00 72.51 C ATOM 952 NZ LYS A 63 7.403 11.313 -1.389 1.00 72.12 N ATOM 0 H LYS A 63 3.217 8.588 -2.784 1.00 5.20 H new ATOM 0 HA LYS A 63 5.412 10.173 -2.599 1.00 42.11 H new ATOM 0 HB2 LYS A 63 4.024 9.630 -0.691 1.00 41.03 H new ATOM 0 HB3 LYS A 63 4.444 7.932 -0.789 1.00 41.03 H new ATOM 0 HG2 LYS A 63 5.911 8.475 0.859 1.00 60.22 H new ATOM 0 HG3 LYS A 63 6.928 8.957 -0.485 1.00 60.22 H new ATOM 0 HD2 LYS A 63 5.069 10.802 1.069 1.00 2.24 H new ATOM 0 HD3 LYS A 63 6.807 10.710 1.271 1.00 2.24 H new ATOM 0 HE2 LYS A 63 5.309 11.588 -1.228 1.00 72.51 H new ATOM 0 HE3 LYS A 63 6.258 12.606 -0.163 1.00 72.51 H new ATOM 0 HZ1 LYS A 63 7.559 12.084 -2.069 1.00 72.12 H new ATOM 0 HZ2 LYS A 63 8.227 11.234 -0.759 1.00 72.12 H new ATOM 0 HZ3 LYS A 63 7.274 10.419 -1.904 1.00 72.12 H new ATOM 966 N LYS A 64 6.296 7.037 -3.015 1.00 22.23 N ATOM 967 CA LYS A 64 7.420 6.164 -3.334 1.00 55.14 C ATOM 968 C LYS A 64 7.149 5.374 -4.611 1.00 13.21 C ATOM 969 O LYS A 64 6.380 4.413 -4.607 1.00 30.34 O ATOM 970 CB LYS A 64 7.691 5.203 -2.175 1.00 62.31 C ATOM 971 CG LYS A 64 9.140 5.195 -1.718 1.00 14.11 C ATOM 972 CD LYS A 64 9.253 4.903 -0.231 1.00 44.01 C ATOM 973 CE LYS A 64 10.672 5.120 0.273 1.00 62.15 C ATOM 974 NZ LYS A 64 10.942 4.352 1.519 1.00 33.34 N ATOM 0 H LYS A 64 5.385 6.578 -3.040 1.00 22.23 H new ATOM 0 HA LYS A 64 8.299 6.788 -3.493 1.00 55.14 H new ATOM 0 HB2 LYS A 64 7.055 5.474 -1.333 1.00 62.31 H new ATOM 0 HB3 LYS A 64 7.408 4.194 -2.476 1.00 62.31 H new ATOM 0 HG2 LYS A 64 9.696 4.445 -2.280 1.00 14.11 H new ATOM 0 HG3 LYS A 64 9.597 6.160 -1.936 1.00 14.11 H new ATOM 0 HD2 LYS A 64 8.567 5.546 0.320 1.00 44.01 H new ATOM 0 HD3 LYS A 64 8.950 3.874 -0.037 1.00 44.01 H new ATOM 0 HE2 LYS A 64 11.381 4.821 -0.499 1.00 62.15 H new ATOM 0 HE3 LYS A 64 10.833 6.182 0.459 1.00 62.15 H new ATOM 0 HZ1 LYS A 64 11.919 4.527 1.830 1.00 33.34 H new ATOM 0 HZ2 LYS A 64 10.282 4.655 2.264 1.00 33.34 H new ATOM 0 HZ3 LYS A 64 10.814 3.336 1.335 1.00 33.34 H new ATOM 988 N VAL A 65 7.786 5.785 -5.702 1.00 44.34 N ATOM 989 CA VAL A 65 7.616 5.114 -6.986 1.00 1.43 C ATOM 990 C VAL A 65 8.868 4.333 -7.367 1.00 60.44 C ATOM 991 O VAL A 65 9.989 4.782 -7.131 1.00 3.43 O ATOM 992 CB VAL A 65 7.291 6.120 -8.106 1.00 13.00 C ATOM 993 CG1 VAL A 65 8.198 5.895 -9.306 1.00 30.01 C ATOM 994 CG2 VAL A 65 5.827 6.015 -8.507 1.00 10.12 C ATOM 0 H VAL A 65 8.425 6.580 -5.723 1.00 44.34 H new ATOM 0 HA VAL A 65 6.780 4.423 -6.875 1.00 1.43 H new ATOM 0 HB VAL A 65 7.470 7.127 -7.729 1.00 13.00 H new ATOM 0 HG11 VAL A 65 7.953 6.615 -10.087 1.00 30.01 H new ATOM 0 HG12 VAL A 65 9.238 6.025 -9.006 1.00 30.01 H new ATOM 0 HG13 VAL A 65 8.054 4.884 -9.687 1.00 30.01 H new ATOM 0 HG21 VAL A 65 5.614 6.733 -9.299 1.00 10.12 H new ATOM 0 HG22 VAL A 65 5.619 5.007 -8.865 1.00 10.12 H new ATOM 0 HG23 VAL A 65 5.197 6.230 -7.644 1.00 10.12 H new ATOM 1004 N ARG A 66 8.669 3.160 -7.960 1.00 32.22 N ATOM 1005 CA ARG A 66 9.782 2.314 -8.374 1.00 50.32 C ATOM 1006 C ARG A 66 9.587 1.821 -9.805 1.00 41.51 C ATOM 1007 O ARG A 66 8.467 1.528 -10.224 1.00 42.30 O ATOM 1008 CB ARG A 66 9.924 1.121 -7.427 1.00 51.14 C ATOM 1009 CG ARG A 66 10.244 1.515 -5.995 1.00 11.13 C ATOM 1010 CD ARG A 66 11.146 0.491 -5.323 1.00 53.15 C ATOM 1011 NE ARG A 66 12.547 0.668 -5.696 1.00 73.22 N ATOM 1012 CZ ARG A 66 13.489 -0.239 -5.463 1.00 61.04 C ATOM 1013 NH1 ARG A 66 13.182 -1.380 -4.862 1.00 73.24 N ATOM 1014 NH2 ARG A 66 14.742 -0.005 -5.833 1.00 30.45 N ATOM 0 H ARG A 66 7.747 2.774 -8.164 1.00 32.22 H new ATOM 0 HA ARG A 66 10.693 2.911 -8.334 1.00 50.32 H new ATOM 0 HB2 ARG A 66 8.998 0.547 -7.438 1.00 51.14 H new ATOM 0 HB3 ARG A 66 10.711 0.465 -7.799 1.00 51.14 H new ATOM 0 HG2 ARG A 66 10.729 2.491 -5.985 1.00 11.13 H new ATOM 0 HG3 ARG A 66 9.318 1.613 -5.428 1.00 11.13 H new ATOM 0 HD2 ARG A 66 11.046 0.574 -4.241 1.00 53.15 H new ATOM 0 HD3 ARG A 66 10.822 -0.513 -5.597 1.00 53.15 H new ATOM 0 HE ARG A 66 12.817 1.535 -6.161 1.00 73.22 H new ATOM 0 HH11 ARG A 66 12.220 -1.564 -4.577 1.00 73.24 H new ATOM 0 HH12 ARG A 66 13.908 -2.074 -4.685 1.00 73.24 H new ATOM 0 HH21 ARG A 66 14.982 0.871 -6.296 1.00 30.45 H new ATOM 0 HH22 ARG A 66 15.465 -0.702 -5.654 1.00 30.45 H new ATOM 1028 N ARG A 67 10.684 1.734 -10.550 1.00 23.42 N ATOM 1029 CA ARG A 67 10.634 1.278 -11.934 1.00 11.22 C ATOM 1030 C ARG A 67 10.526 -0.242 -12.002 1.00 71.33 C ATOM 1031 O ARG A 67 11.228 -0.957 -11.287 1.00 3.03 O ATOM 1032 CB ARG A 67 11.877 1.747 -12.693 1.00 31.42 C ATOM 1033 CG ARG A 67 11.714 1.720 -14.204 1.00 12.33 C ATOM 1034 CD ARG A 67 12.179 0.397 -14.791 1.00 53.13 C ATOM 1035 NE ARG A 67 13.604 0.410 -15.108 1.00 63.32 N ATOM 1036 CZ ARG A 67 14.187 -0.475 -15.909 1.00 70.42 C ATOM 1037 NH1 ARG A 67 13.470 -1.438 -16.472 1.00 32.32 N ATOM 1038 NH2 ARG A 67 15.490 -0.398 -16.149 1.00 73.13 N ATOM 0 H ARG A 67 11.618 1.973 -10.218 1.00 23.42 H new ATOM 0 HA ARG A 67 9.748 1.709 -12.401 1.00 11.22 H new ATOM 0 HB2 ARG A 67 12.122 2.762 -12.380 1.00 31.42 H new ATOM 0 HB3 ARG A 67 12.721 1.116 -12.416 1.00 31.42 H new ATOM 0 HG2 ARG A 67 10.668 1.886 -14.461 1.00 12.33 H new ATOM 0 HG3 ARG A 67 12.284 2.536 -14.647 1.00 12.33 H new ATOM 0 HD2 ARG A 67 11.972 -0.406 -14.084 1.00 53.13 H new ATOM 0 HD3 ARG A 67 11.609 0.181 -15.694 1.00 53.13 H new ATOM 0 HE ARG A 67 14.184 1.139 -14.692 1.00 63.32 H new ATOM 0 HH11 ARG A 67 12.468 -1.501 -16.290 1.00 32.32 H new ATOM 0 HH12 ARG A 67 13.920 -2.116 -17.087 1.00 32.32 H new ATOM 0 HH21 ARG A 67 16.045 0.341 -15.718 1.00 73.13 H new ATOM 0 HH22 ARG A 67 15.936 -1.078 -16.764 1.00 73.13 H new ATOM 1052 N ILE A 68 9.642 -0.729 -12.867 1.00 20.12 N ATOM 1053 CA ILE A 68 9.443 -2.164 -13.029 1.00 10.14 C ATOM 1054 C ILE A 68 9.249 -2.530 -14.496 1.00 40.12 C ATOM 1055 O ILE A 68 8.187 -2.293 -15.071 1.00 54.32 O ATOM 1056 CB ILE A 68 8.227 -2.658 -12.223 1.00 11.00 C ATOM 1057 CG1 ILE A 68 8.228 -2.038 -10.824 1.00 43.12 C ATOM 1058 CG2 ILE A 68 8.231 -4.177 -12.135 1.00 45.20 C ATOM 1059 CD1 ILE A 68 9.293 -2.606 -9.912 1.00 62.14 C ATOM 0 H ILE A 68 9.053 -0.151 -13.466 1.00 20.12 H new ATOM 0 HA ILE A 68 10.342 -2.652 -12.651 1.00 10.14 H new ATOM 0 HB ILE A 68 7.318 -2.346 -12.737 1.00 11.00 H new ATOM 0 HG12 ILE A 68 8.373 -0.961 -10.913 1.00 43.12 H new ATOM 0 HG13 ILE A 68 7.250 -2.191 -10.367 1.00 43.12 H new ATOM 0 HG21 ILE A 68 7.366 -4.511 -11.562 1.00 45.20 H new ATOM 0 HG22 ILE A 68 8.187 -4.600 -13.139 1.00 45.20 H new ATOM 0 HG23 ILE A 68 9.143 -4.510 -11.641 1.00 45.20 H new ATOM 0 HD11 ILE A 68 9.235 -2.120 -8.938 1.00 62.14 H new ATOM 0 HD12 ILE A 68 9.136 -3.678 -9.793 1.00 62.14 H new ATOM 0 HD13 ILE A 68 10.277 -2.429 -10.347 1.00 62.14 H new