USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 527 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 2 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00816) USER MOD Set 1.2: A 20 GLN : amide:sc= -0.057 X(o=-0.057,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.294 (180deg=-0.333) USER MOD Single : A 3 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.141) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.04 X(o=-1,f=-0.65) 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 : amide:sc= -6.41! C(o=-6.4!,f=-12!) USER MOD Single : A 29 HIS : no HD1:sc= -0.243 K(o=-0.24,f=-1.8) USER MOD Single : A 31 THR OG1 : rot -44:sc= 0.877 USER MOD Single : A 40 THR OG1 : rot 51:sc= 1.69 USER MOD Single : A 42 ASN : amide:sc= 0.306 X(o=0.31,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.485 K(o=-0.48,f=-1.2) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -1.85 K(o=-1.9,f=-2.5) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 0.15 (180deg=0.123) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.189 1.965 -1.096 1.00 32.13 N ATOM 2 CA MET A 1 1.855 0.682 -1.290 1.00 1.40 C ATOM 3 C MET A 1 1.131 -0.153 -2.342 1.00 3.54 C ATOM 4 O MET A 1 0.602 -1.223 -2.043 1.00 31.22 O ATOM 5 CB MET A 1 1.923 -0.087 0.031 1.00 53.22 C ATOM 6 CG MET A 1 2.743 -1.364 -0.051 1.00 11.11 C ATOM 7 SD MET A 1 4.445 -1.132 0.496 1.00 23.32 S ATOM 8 CE MET A 1 4.595 -2.447 1.703 1.00 12.14 C ATOM 0 H1 MET A 1 1.728 2.536 -0.414 1.00 32.13 H new ATOM 0 H2 MET A 1 1.136 2.469 -2.004 1.00 32.13 H new ATOM 0 H3 MET A 1 0.228 1.806 -0.732 1.00 32.13 H new ATOM 0 HA MET A 1 2.869 0.877 -1.641 1.00 1.40 H new ATOM 0 HB2 MET A 1 2.349 0.560 0.797 1.00 53.22 H new ATOM 0 HB3 MET A 1 0.911 -0.335 0.350 1.00 53.22 H new ATOM 0 HG2 MET A 1 2.271 -2.134 0.559 1.00 11.11 H new ATOM 0 HG3 MET A 1 2.742 -1.727 -1.079 1.00 11.11 H new ATOM 0 HE1 MET A 1 5.597 -2.434 2.132 1.00 12.14 H new ATOM 0 HE2 MET A 1 3.859 -2.301 2.494 1.00 12.14 H new ATOM 0 HE3 MET A 1 4.420 -3.408 1.218 1.00 12.14 H new ATOM 18 N LYS A 2 1.112 0.344 -3.574 1.00 34.11 N ATOM 19 CA LYS A 2 0.454 -0.356 -4.671 1.00 32.02 C ATOM 20 C LYS A 2 1.361 -0.424 -5.895 1.00 42.30 C ATOM 21 O LYS A 2 2.258 0.403 -6.063 1.00 14.50 O ATOM 22 CB LYS A 2 -0.859 0.342 -5.034 1.00 20.31 C ATOM 23 CG LYS A 2 -1.872 0.358 -3.902 1.00 51.44 C ATOM 24 CD LYS A 2 -2.463 -1.021 -3.663 1.00 14.31 C ATOM 25 CE LYS A 2 -3.856 -0.933 -3.058 1.00 11.41 C ATOM 26 NZ LYS A 2 -4.882 -0.575 -4.077 1.00 22.53 N ATOM 0 H LYS A 2 1.545 1.229 -3.838 1.00 34.11 H new ATOM 0 HA LYS A 2 0.239 -1.373 -4.343 1.00 32.02 H new ATOM 0 HB2 LYS A 2 -0.645 1.368 -5.333 1.00 20.31 H new ATOM 0 HB3 LYS A 2 -1.299 -0.157 -5.897 1.00 20.31 H new ATOM 0 HG2 LYS A 2 -1.393 0.713 -2.989 1.00 51.44 H new ATOM 0 HG3 LYS A 2 -2.671 1.061 -4.137 1.00 51.44 H new ATOM 0 HD2 LYS A 2 -2.508 -1.567 -4.605 1.00 14.31 H new ATOM 0 HD3 LYS A 2 -1.811 -1.587 -2.998 1.00 14.31 H new ATOM 0 HE2 LYS A 2 -4.115 -1.889 -2.602 1.00 11.41 H new ATOM 0 HE3 LYS A 2 -3.860 -0.189 -2.262 1.00 11.41 H new ATOM 0 HZ1 LYS A 2 -5.653 -0.045 -3.622 1.00 22.53 H new ATOM 0 HZ2 LYS A 2 -4.447 0.013 -4.816 1.00 22.53 H new ATOM 0 HZ3 LYS A 2 -5.264 -1.443 -4.505 1.00 22.53 H new ATOM 40 N LYS A 3 1.122 -1.413 -6.749 1.00 24.41 N ATOM 41 CA LYS A 3 1.916 -1.588 -7.960 1.00 33.13 C ATOM 42 C LYS A 3 1.017 -1.707 -9.187 1.00 1.25 C ATOM 43 O LYS A 3 -0.008 -2.386 -9.154 1.00 21.32 O ATOM 44 CB LYS A 3 2.800 -2.831 -7.840 1.00 31.42 C ATOM 45 CG LYS A 3 3.458 -2.981 -6.479 1.00 41.21 C ATOM 46 CD LYS A 3 4.235 -4.283 -6.375 1.00 52.42 C ATOM 47 CE LYS A 3 5.334 -4.361 -7.424 1.00 33.31 C ATOM 48 NZ LYS A 3 4.923 -5.182 -8.597 1.00 41.50 N ATOM 0 H LYS A 3 0.384 -2.106 -6.625 1.00 24.41 H new ATOM 0 HA LYS A 3 2.550 -0.709 -8.079 1.00 33.13 H new ATOM 0 HB2 LYS A 3 2.197 -3.716 -8.042 1.00 31.42 H new ATOM 0 HB3 LYS A 3 3.574 -2.791 -8.606 1.00 31.42 H new ATOM 0 HG2 LYS A 3 4.130 -2.141 -6.304 1.00 41.21 H new ATOM 0 HG3 LYS A 3 2.696 -2.948 -5.700 1.00 41.21 H new ATOM 0 HD2 LYS A 3 4.673 -4.368 -5.381 1.00 52.42 H new ATOM 0 HD3 LYS A 3 3.554 -5.125 -6.497 1.00 52.42 H new ATOM 0 HE2 LYS A 3 5.591 -3.355 -7.757 1.00 33.31 H new ATOM 0 HE3 LYS A 3 6.232 -4.788 -6.978 1.00 33.31 H new ATOM 0 HZ1 LYS A 3 5.376 -4.811 -9.456 1.00 41.50 H new ATOM 0 HZ2 LYS A 3 5.216 -6.169 -8.450 1.00 41.50 H new ATOM 0 HZ3 LYS A 3 3.889 -5.140 -8.705 1.00 41.50 H new ATOM 62 N GLY A 4 1.410 -1.042 -10.269 1.00 13.31 N ATOM 63 CA GLY A 4 0.629 -1.087 -11.491 1.00 60.24 C ATOM 64 C GLY A 4 1.322 -0.395 -12.648 1.00 63.32 C ATOM 65 O GLY A 4 2.350 0.259 -12.466 1.00 31.54 O ATOM 0 H GLY A 4 2.255 -0.473 -10.321 1.00 13.31 H new ATOM 0 HA2 GLY A 4 0.435 -2.126 -11.757 1.00 60.24 H new ATOM 0 HA3 GLY A 4 -0.339 -0.617 -11.317 1.00 60.24 H new ATOM 69 N THR A 5 0.761 -0.540 -13.845 1.00 11.33 N ATOM 70 CA THR A 5 1.333 0.074 -15.036 1.00 70.14 C ATOM 71 C THR A 5 0.930 1.540 -15.147 1.00 65.02 C ATOM 72 O THR A 5 -0.084 1.960 -14.590 1.00 23.34 O ATOM 73 CB THR A 5 0.894 -0.665 -16.315 1.00 30.24 C ATOM 74 OG1 THR A 5 -0.509 -0.947 -16.260 1.00 50.55 O ATOM 75 CG2 THR A 5 1.670 -1.962 -16.483 1.00 63.53 C ATOM 0 H THR A 5 -0.089 -1.078 -14.015 1.00 11.33 H new ATOM 0 HA THR A 5 2.416 0.004 -14.938 1.00 70.14 H new ATOM 0 HB THR A 5 1.102 -0.022 -17.170 1.00 30.24 H new ATOM 0 HG1 THR A 5 -0.781 -1.415 -17.077 1.00 50.55 H new ATOM 0 HG21 THR A 5 1.343 -2.466 -17.392 1.00 63.53 H new ATOM 0 HG22 THR A 5 2.735 -1.742 -16.553 1.00 63.53 H new ATOM 0 HG23 THR A 5 1.488 -2.608 -15.624 1.00 63.53 H new ATOM 83 N VAL A 6 1.731 2.316 -15.871 1.00 63.31 N ATOM 84 CA VAL A 6 1.457 3.736 -16.057 1.00 22.44 C ATOM 85 C VAL A 6 0.798 3.996 -17.406 1.00 51.33 C ATOM 86 O VAL A 6 1.121 3.350 -18.403 1.00 43.12 O ATOM 87 CB VAL A 6 2.746 4.574 -15.957 1.00 34.35 C ATOM 88 CG1 VAL A 6 3.346 4.797 -17.336 1.00 61.21 C ATOM 89 CG2 VAL A 6 2.465 5.900 -15.267 1.00 44.40 C ATOM 0 H VAL A 6 2.575 1.985 -16.338 1.00 63.31 H new ATOM 0 HA VAL A 6 0.776 4.034 -15.260 1.00 22.44 H new ATOM 0 HB VAL A 6 3.471 4.025 -15.357 1.00 34.35 H new ATOM 0 HG11 VAL A 6 4.256 5.391 -17.245 1.00 61.21 H new ATOM 0 HG12 VAL A 6 3.584 3.835 -17.789 1.00 61.21 H new ATOM 0 HG13 VAL A 6 2.629 5.326 -17.964 1.00 61.21 H new ATOM 0 HG21 VAL A 6 3.386 6.480 -15.204 1.00 44.40 H new ATOM 0 HG22 VAL A 6 1.723 6.458 -15.839 1.00 44.40 H new ATOM 0 HG23 VAL A 6 2.084 5.714 -14.263 1.00 44.40 H new ATOM 99 N LYS A 7 -0.129 4.948 -17.432 1.00 3.22 N ATOM 100 CA LYS A 7 -0.834 5.297 -18.659 1.00 41.53 C ATOM 101 C LYS A 7 -0.198 6.514 -19.325 1.00 30.21 C ATOM 102 O LYS A 7 -0.255 6.665 -20.545 1.00 44.42 O ATOM 103 CB LYS A 7 -2.309 5.578 -18.362 1.00 43.14 C ATOM 104 CG LYS A 7 -3.182 5.619 -19.604 1.00 72.13 C ATOM 105 CD LYS A 7 -4.591 5.130 -19.312 1.00 1.55 C ATOM 106 CE LYS A 7 -5.555 6.291 -19.123 1.00 55.33 C ATOM 107 NZ LYS A 7 -6.909 5.980 -19.661 1.00 11.55 N ATOM 0 H LYS A 7 -0.409 5.492 -16.616 1.00 3.22 H new ATOM 0 HA LYS A 7 -0.762 4.451 -19.343 1.00 41.53 H new ATOM 0 HB2 LYS A 7 -2.688 4.810 -17.687 1.00 43.14 H new ATOM 0 HB3 LYS A 7 -2.391 6.531 -17.839 1.00 43.14 H new ATOM 0 HG2 LYS A 7 -3.222 6.638 -19.988 1.00 72.13 H new ATOM 0 HG3 LYS A 7 -2.736 5.002 -20.384 1.00 72.13 H new ATOM 0 HD2 LYS A 7 -4.936 4.499 -20.131 1.00 1.55 H new ATOM 0 HD3 LYS A 7 -4.584 4.511 -18.415 1.00 1.55 H new ATOM 0 HE2 LYS A 7 -5.632 6.531 -18.062 1.00 55.33 H new ATOM 0 HE3 LYS A 7 -5.160 7.176 -19.622 1.00 55.33 H new ATOM 0 HZ1 LYS A 7 -7.537 6.796 -19.513 1.00 11.55 H new ATOM 0 HZ2 LYS A 7 -6.840 5.776 -20.678 1.00 11.55 H new ATOM 0 HZ3 LYS A 7 -7.297 5.151 -19.167 1.00 11.55 H new ATOM 121 N TRP A 8 0.407 7.376 -18.516 1.00 62.21 N ATOM 122 CA TRP A 8 1.055 8.578 -19.028 1.00 2.12 C ATOM 123 C TRP A 8 1.779 9.323 -17.912 1.00 5.10 C ATOM 124 O TRP A 8 1.264 9.452 -16.802 1.00 35.35 O ATOM 125 CB TRP A 8 0.025 9.497 -19.686 1.00 34.10 C ATOM 126 CG TRP A 8 -0.708 10.365 -18.708 1.00 30.41 C ATOM 127 CD1 TRP A 8 -0.291 11.563 -18.202 1.00 63.33 C ATOM 128 CD2 TRP A 8 -1.985 10.100 -18.116 1.00 42.14 C ATOM 129 NE1 TRP A 8 -1.231 12.059 -17.332 1.00 72.10 N ATOM 130 CE2 TRP A 8 -2.280 11.181 -17.263 1.00 33.14 C ATOM 131 CE3 TRP A 8 -2.908 9.057 -18.226 1.00 61.24 C ATOM 132 CZ2 TRP A 8 -3.459 11.245 -16.524 1.00 61.11 C ATOM 133 CZ3 TRP A 8 -4.077 9.122 -17.493 1.00 20.25 C ATOM 134 CH2 TRP A 8 -4.345 10.210 -16.651 1.00 23.31 C ATOM 0 H TRP A 8 0.462 7.265 -17.504 1.00 62.21 H new ATOM 0 HA TRP A 8 1.790 8.275 -19.774 1.00 2.12 H new ATOM 0 HB2 TRP A 8 0.528 10.130 -20.417 1.00 34.10 H new ATOM 0 HB3 TRP A 8 -0.696 8.890 -20.233 1.00 34.10 H new ATOM 0 HD1 TRP A 8 0.641 12.049 -18.450 1.00 63.33 H new ATOM 0 HE1 TRP A 8 -1.159 12.938 -16.820 1.00 72.10 H new ATOM 0 HE3 TRP A 8 -2.711 8.215 -18.873 1.00 61.24 H new ATOM 0 HZ2 TRP A 8 -3.667 12.082 -15.874 1.00 61.11 H new ATOM 0 HZ3 TRP A 8 -4.797 8.321 -17.570 1.00 20.25 H new ATOM 0 HH2 TRP A 8 -5.269 10.232 -16.092 1.00 23.31 H new ATOM 145 N PHE A 9 2.978 9.812 -18.214 1.00 14.54 N ATOM 146 CA PHE A 9 3.773 10.544 -17.235 1.00 0.42 C ATOM 147 C PHE A 9 4.394 11.790 -17.861 1.00 30.14 C ATOM 148 O PHE A 9 5.422 11.713 -18.532 1.00 52.31 O ATOM 149 CB PHE A 9 4.871 9.645 -16.664 1.00 4.23 C ATOM 150 CG PHE A 9 5.817 10.364 -15.744 1.00 51.03 C ATOM 151 CD1 PHE A 9 5.529 10.492 -14.395 1.00 51.10 C ATOM 152 CD2 PHE A 9 6.994 10.911 -16.229 1.00 52.11 C ATOM 153 CE1 PHE A 9 6.397 11.154 -13.547 1.00 72.22 C ATOM 154 CE2 PHE A 9 7.866 11.574 -15.386 1.00 30.41 C ATOM 155 CZ PHE A 9 7.567 11.694 -14.043 1.00 4.11 C ATOM 0 H PHE A 9 3.420 9.714 -19.128 1.00 14.54 H new ATOM 0 HA PHE A 9 3.112 10.856 -16.427 1.00 0.42 H new ATOM 0 HB2 PHE A 9 4.409 8.819 -16.123 1.00 4.23 H new ATOM 0 HB3 PHE A 9 5.438 9.210 -17.487 1.00 4.23 H new ATOM 0 HD1 PHE A 9 4.616 10.070 -14.001 1.00 51.10 H new ATOM 0 HD2 PHE A 9 7.233 10.818 -17.278 1.00 52.11 H new ATOM 0 HE1 PHE A 9 6.160 11.249 -12.498 1.00 72.22 H new ATOM 0 HE2 PHE A 9 8.779 11.997 -15.777 1.00 30.41 H new ATOM 0 HZ PHE A 9 8.247 12.210 -13.382 1.00 4.11 H new ATOM 165 N ASN A 10 3.761 12.937 -17.635 1.00 31.51 N ATOM 166 CA ASN A 10 4.250 14.199 -18.177 1.00 53.11 C ATOM 167 C ASN A 10 5.624 14.540 -17.608 1.00 72.33 C ATOM 168 O ASN A 10 5.766 14.798 -16.413 1.00 74.35 O ATOM 169 CB ASN A 10 3.263 15.327 -17.868 1.00 23.04 C ATOM 170 CG ASN A 10 2.845 16.087 -19.112 1.00 20.24 C ATOM 171 OD1 ASN A 10 2.647 15.498 -20.175 1.00 11.44 O ATOM 172 ND2 ASN A 10 2.709 17.402 -18.984 1.00 20.42 N ATOM 0 H ASN A 10 2.909 13.018 -17.080 1.00 31.51 H new ATOM 0 HA ASN A 10 4.341 14.091 -19.258 1.00 53.11 H new ATOM 0 HB2 ASN A 10 2.379 14.910 -17.386 1.00 23.04 H new ATOM 0 HB3 ASN A 10 3.717 16.019 -17.158 1.00 23.04 H new ATOM 0 HD21 ASN A 10 2.430 17.966 -19.786 1.00 20.42 H new ATOM 0 HD22 ASN A 10 2.884 17.847 -18.083 1.00 20.42 H new ATOM 179 N ALA A 11 6.633 14.539 -18.473 1.00 71.21 N ATOM 180 CA ALA A 11 7.995 14.850 -18.058 1.00 0.21 C ATOM 181 C ALA A 11 8.288 16.339 -18.209 1.00 1.13 C ATOM 182 O ALA A 11 9.118 16.893 -17.489 1.00 11.14 O ATOM 183 CB ALA A 11 8.993 14.030 -18.862 1.00 75.13 C ATOM 0 H ALA A 11 6.533 14.326 -19.465 1.00 71.21 H new ATOM 0 HA ALA A 11 8.095 14.591 -17.004 1.00 0.21 H new ATOM 0 HB1 ALA A 11 10.006 14.273 -18.541 1.00 75.13 H new ATOM 0 HB2 ALA A 11 8.806 12.968 -18.700 1.00 75.13 H new ATOM 0 HB3 ALA A 11 8.883 14.260 -19.922 1.00 75.13 H new ATOM 189 N GLU A 12 7.602 16.980 -19.149 1.00 51.45 N ATOM 190 CA GLU A 12 7.791 18.405 -19.395 1.00 0.34 C ATOM 191 C GLU A 12 7.357 19.228 -18.185 1.00 21.22 C ATOM 192 O GLU A 12 8.015 20.199 -17.811 1.00 50.23 O ATOM 193 CB GLU A 12 7.003 18.842 -20.631 1.00 73.22 C ATOM 194 CG GLU A 12 7.781 18.704 -21.929 1.00 12.30 C ATOM 195 CD GLU A 12 8.827 19.789 -22.100 1.00 31.33 C ATOM 196 OE1 GLU A 12 9.848 19.745 -21.382 1.00 11.44 O ATOM 197 OE2 GLU A 12 8.625 20.680 -22.950 1.00 51.23 O ATOM 0 H GLU A 12 6.910 16.536 -19.753 1.00 51.45 H new ATOM 0 HA GLU A 12 8.853 18.579 -19.570 1.00 0.34 H new ATOM 0 HB2 GLU A 12 6.091 18.248 -20.699 1.00 73.22 H new ATOM 0 HB3 GLU A 12 6.698 19.881 -20.509 1.00 73.22 H new ATOM 0 HG2 GLU A 12 8.267 17.729 -21.955 1.00 12.30 H new ATOM 0 HG3 GLU A 12 7.088 18.737 -22.769 1.00 12.30 H new ATOM 204 N LYS A 13 6.244 18.832 -17.576 1.00 42.12 N ATOM 205 CA LYS A 13 5.721 19.530 -16.408 1.00 55.32 C ATOM 206 C LYS A 13 6.197 18.868 -15.119 1.00 43.14 C ATOM 207 O LYS A 13 6.489 19.544 -14.134 1.00 10.21 O ATOM 208 CB LYS A 13 4.191 19.554 -16.446 1.00 52.31 C ATOM 209 CG LYS A 13 3.624 20.402 -17.571 1.00 55.14 C ATOM 210 CD LYS A 13 2.457 21.252 -17.096 1.00 3.12 C ATOM 211 CE LYS A 13 2.934 22.562 -16.487 1.00 21.10 C ATOM 212 NZ LYS A 13 3.255 23.574 -17.531 1.00 3.32 N ATOM 0 H LYS A 13 5.687 18.031 -17.873 1.00 42.12 H new ATOM 0 HA LYS A 13 6.096 20.553 -16.430 1.00 55.32 H new ATOM 0 HB2 LYS A 13 3.822 18.534 -16.550 1.00 52.31 H new ATOM 0 HB3 LYS A 13 3.818 19.932 -15.494 1.00 52.31 H new ATOM 0 HG2 LYS A 13 4.406 21.047 -17.971 1.00 55.14 H new ATOM 0 HG3 LYS A 13 3.297 19.756 -18.385 1.00 55.14 H new ATOM 0 HD2 LYS A 13 1.792 21.460 -17.934 1.00 3.12 H new ATOM 0 HD3 LYS A 13 1.877 20.697 -16.359 1.00 3.12 H new ATOM 0 HE2 LYS A 13 2.164 22.956 -15.824 1.00 21.10 H new ATOM 0 HE3 LYS A 13 3.817 22.378 -15.876 1.00 21.10 H new ATOM 0 HZ1 LYS A 13 3.576 24.452 -17.076 1.00 3.32 H new ATOM 0 HZ2 LYS A 13 4.008 23.209 -18.149 1.00 3.32 H new ATOM 0 HZ3 LYS A 13 2.406 23.769 -18.098 1.00 3.32 H new ATOM 226 N GLY A 14 6.275 17.541 -15.135 1.00 24.21 N ATOM 227 CA GLY A 14 6.719 16.810 -13.962 1.00 53.11 C ATOM 228 C GLY A 14 5.564 16.232 -13.168 1.00 50.31 C ATOM 229 O GLY A 14 5.521 16.354 -11.944 1.00 11.13 O ATOM 0 H GLY A 14 6.039 16.959 -15.939 1.00 24.21 H new ATOM 0 HA2 GLY A 14 7.384 16.003 -14.271 1.00 53.11 H new ATOM 0 HA3 GLY A 14 7.300 17.474 -13.322 1.00 53.11 H new ATOM 233 N TYR A 15 4.625 15.603 -13.866 1.00 12.23 N ATOM 234 CA TYR A 15 3.462 15.008 -13.218 1.00 53.15 C ATOM 235 C TYR A 15 2.852 13.915 -14.091 1.00 42.33 C ATOM 236 O TYR A 15 2.814 14.031 -15.315 1.00 43.55 O ATOM 237 CB TYR A 15 2.414 16.081 -12.919 1.00 54.23 C ATOM 238 CG TYR A 15 1.622 16.510 -14.134 1.00 71.31 C ATOM 239 CD1 TYR A 15 2.067 17.543 -14.949 1.00 62.34 C ATOM 240 CD2 TYR A 15 0.429 15.880 -14.467 1.00 54.41 C ATOM 241 CE1 TYR A 15 1.347 17.938 -16.060 1.00 34.23 C ATOM 242 CE2 TYR A 15 -0.298 16.268 -15.576 1.00 60.25 C ATOM 243 CZ TYR A 15 0.165 17.297 -16.369 1.00 51.32 C ATOM 244 OH TYR A 15 -0.555 17.687 -17.475 1.00 72.12 O ATOM 0 H TYR A 15 4.646 15.492 -14.880 1.00 12.23 H new ATOM 0 HA TYR A 15 3.790 14.559 -12.281 1.00 53.15 H new ATOM 0 HB2 TYR A 15 1.726 15.704 -12.162 1.00 54.23 H new ATOM 0 HB3 TYR A 15 2.910 16.953 -12.493 1.00 54.23 H new ATOM 0 HD1 TYR A 15 2.992 18.046 -14.710 1.00 62.34 H new ATOM 0 HD2 TYR A 15 0.064 15.073 -13.848 1.00 54.41 H new ATOM 0 HE1 TYR A 15 1.707 18.744 -16.683 1.00 34.23 H new ATOM 0 HE2 TYR A 15 -1.224 15.768 -15.821 1.00 60.25 H new ATOM 0 HH TYR A 15 -1.361 17.135 -17.552 1.00 72.12 H new ATOM 254 N GLY A 16 2.375 12.852 -13.451 1.00 11.44 N ATOM 255 CA GLY A 16 1.773 11.754 -14.183 1.00 33.55 C ATOM 256 C GLY A 16 0.744 11.003 -13.360 1.00 4.24 C ATOM 257 O GLY A 16 0.448 11.383 -12.226 1.00 63.15 O ATOM 0 H GLY A 16 2.395 12.732 -12.438 1.00 11.44 H new ATOM 0 HA2 GLY A 16 1.300 12.140 -15.086 1.00 33.55 H new ATOM 0 HA3 GLY A 16 2.553 11.063 -14.502 1.00 33.55 H new ATOM 261 N PHE A 17 0.197 9.935 -13.931 1.00 13.45 N ATOM 262 CA PHE A 17 -0.807 9.131 -13.243 1.00 41.21 C ATOM 263 C PHE A 17 -0.602 7.646 -13.527 1.00 44.11 C ATOM 264 O PHE A 17 -0.420 7.242 -14.676 1.00 54.42 O ATOM 265 CB PHE A 17 -2.213 9.555 -13.674 1.00 22.34 C ATOM 266 CG PHE A 17 -2.843 10.562 -12.755 1.00 41.42 C ATOM 267 CD1 PHE A 17 -2.347 11.854 -12.677 1.00 61.24 C ATOM 268 CD2 PHE A 17 -3.931 10.218 -11.969 1.00 42.13 C ATOM 269 CE1 PHE A 17 -2.925 12.784 -11.834 1.00 24.24 C ATOM 270 CE2 PHE A 17 -4.513 11.144 -11.124 1.00 62.20 C ATOM 271 CZ PHE A 17 -4.008 12.428 -11.055 1.00 74.21 C ATOM 0 H PHE A 17 0.432 9.606 -14.868 1.00 13.45 H new ATOM 0 HA PHE A 17 -0.697 9.297 -12.171 1.00 41.21 H new ATOM 0 HB2 PHE A 17 -2.166 9.972 -14.680 1.00 22.34 H new ATOM 0 HB3 PHE A 17 -2.851 8.672 -13.725 1.00 22.34 H new ATOM 0 HD1 PHE A 17 -1.499 12.137 -13.282 1.00 61.24 H new ATOM 0 HD2 PHE A 17 -4.329 9.215 -12.017 1.00 42.13 H new ATOM 0 HE1 PHE A 17 -2.530 13.788 -11.785 1.00 24.24 H new ATOM 0 HE2 PHE A 17 -5.362 10.864 -10.518 1.00 62.20 H new ATOM 0 HZ PHE A 17 -4.459 13.152 -10.393 1.00 74.21 H new ATOM 281 N ILE A 18 -0.631 6.839 -12.472 1.00 62.32 N ATOM 282 CA ILE A 18 -0.449 5.399 -12.608 1.00 25.14 C ATOM 283 C ILE A 18 -1.767 4.657 -12.415 1.00 50.41 C ATOM 284 O ILE A 18 -2.638 5.105 -11.670 1.00 73.20 O ATOM 285 CB ILE A 18 0.581 4.864 -11.595 1.00 10.03 C ATOM 286 CG1 ILE A 18 1.902 5.624 -11.728 1.00 23.10 C ATOM 287 CG2 ILE A 18 0.799 3.372 -11.798 1.00 53.25 C ATOM 288 CD1 ILE A 18 2.728 5.627 -10.461 1.00 23.52 C ATOM 0 H ILE A 18 -0.779 7.157 -11.514 1.00 62.32 H new ATOM 0 HA ILE A 18 -0.080 5.222 -13.618 1.00 25.14 H new ATOM 0 HB ILE A 18 0.193 5.021 -10.588 1.00 10.03 H new ATOM 0 HG12 ILE A 18 2.488 5.180 -12.533 1.00 23.10 H new ATOM 0 HG13 ILE A 18 1.692 6.654 -12.017 1.00 23.10 H new ATOM 0 HG21 ILE A 18 1.529 3.009 -11.075 1.00 53.25 H new ATOM 0 HG22 ILE A 18 -0.144 2.844 -11.657 1.00 53.25 H new ATOM 0 HG23 ILE A 18 1.168 3.192 -12.808 1.00 53.25 H new ATOM 0 HD11 ILE A 18 3.650 6.184 -10.629 1.00 23.52 H new ATOM 0 HD12 ILE A 18 2.161 6.098 -9.658 1.00 23.52 H new ATOM 0 HD13 ILE A 18 2.969 4.601 -10.182 1.00 23.52 H new ATOM 300 N GLN A 19 -1.905 3.521 -13.091 1.00 3.05 N ATOM 301 CA GLN A 19 -3.117 2.717 -12.992 1.00 61.35 C ATOM 302 C GLN A 19 -2.790 1.229 -13.058 1.00 64.53 C ATOM 303 O GLN A 19 -2.283 0.740 -14.067 1.00 64.35 O ATOM 304 CB GLN A 19 -4.092 3.087 -14.112 1.00 24.51 C ATOM 305 CG GLN A 19 -3.406 3.544 -15.389 1.00 1.50 C ATOM 306 CD GLN A 19 -2.845 4.949 -15.279 1.00 61.50 C ATOM 307 OE1 GLN A 19 -1.629 5.146 -15.279 1.00 34.50 O ATOM 308 NE2 GLN A 19 -3.730 5.934 -15.185 1.00 3.13 N ATOM 0 H GLN A 19 -1.193 3.137 -13.713 1.00 3.05 H new ATOM 0 HA GLN A 19 -3.584 2.925 -12.029 1.00 61.35 H new ATOM 0 HB2 GLN A 19 -4.720 2.225 -14.335 1.00 24.51 H new ATOM 0 HB3 GLN A 19 -4.752 3.880 -13.760 1.00 24.51 H new ATOM 0 HG2 GLN A 19 -2.599 2.852 -15.631 1.00 1.50 H new ATOM 0 HG3 GLN A 19 -4.118 3.504 -16.214 1.00 1.50 H new ATOM 0 HE21 GLN A 19 -4.728 5.725 -15.189 1.00 3.13 H new ATOM 0 HE22 GLN A 19 -3.412 6.900 -15.109 1.00 3.13 H new ATOM 317 N GLN A 20 -3.083 0.515 -11.976 1.00 64.20 N ATOM 318 CA GLN A 20 -2.818 -0.918 -11.912 1.00 1.45 C ATOM 319 C GLN A 20 -3.941 -1.709 -12.574 1.00 22.11 C ATOM 320 O GLN A 20 -4.733 -1.159 -13.337 1.00 54.43 O ATOM 321 CB GLN A 20 -2.654 -1.362 -10.457 1.00 63.32 C ATOM 322 CG GLN A 20 -3.954 -1.361 -9.670 1.00 12.10 C ATOM 323 CD GLN A 20 -3.770 -0.896 -8.239 1.00 24.01 C ATOM 324 OE1 GLN A 20 -3.594 0.295 -7.979 1.00 23.45 O ATOM 325 NE2 GLN A 20 -3.809 -1.835 -7.301 1.00 61.53 N ATOM 0 H GLN A 20 -3.504 0.905 -11.132 1.00 64.20 H new ATOM 0 HA GLN A 20 -1.892 -1.116 -12.452 1.00 1.45 H new ATOM 0 HB2 GLN A 20 -2.228 -2.365 -10.438 1.00 63.32 H new ATOM 0 HB3 GLN A 20 -1.940 -0.703 -9.963 1.00 63.32 H new ATOM 0 HG2 GLN A 20 -4.675 -0.713 -10.168 1.00 12.10 H new ATOM 0 HG3 GLN A 20 -4.375 -2.366 -9.670 1.00 12.10 H new ATOM 0 HE21 GLN A 20 -3.957 -2.810 -7.561 1.00 61.53 H new ATOM 0 HE22 GLN A 20 -3.691 -1.581 -6.320 1.00 61.53 H new ATOM 334 N GLU A 21 -4.001 -3.003 -12.276 1.00 74.34 N ATOM 335 CA GLU A 21 -5.027 -3.870 -12.845 1.00 11.11 C ATOM 336 C GLU A 21 -6.402 -3.214 -12.760 1.00 11.22 C ATOM 337 O GLU A 21 -7.233 -3.373 -13.653 1.00 70.22 O ATOM 338 CB GLU A 21 -5.047 -5.217 -12.120 1.00 30.31 C ATOM 339 CG GLU A 21 -3.691 -5.901 -12.068 1.00 1.41 C ATOM 340 CD GLU A 21 -3.800 -7.400 -11.873 1.00 35.35 C ATOM 341 OE1 GLU A 21 -4.902 -7.948 -12.091 1.00 44.44 O ATOM 342 OE2 GLU A 21 -2.786 -8.026 -11.501 1.00 32.52 O ATOM 0 H GLU A 21 -3.353 -3.474 -11.645 1.00 74.34 H new ATOM 0 HA GLU A 21 -4.786 -4.034 -13.895 1.00 11.11 H new ATOM 0 HB2 GLU A 21 -5.408 -5.067 -11.103 1.00 30.31 H new ATOM 0 HB3 GLU A 21 -5.758 -5.877 -12.617 1.00 30.31 H new ATOM 0 HG2 GLU A 21 -3.150 -5.697 -12.992 1.00 1.41 H new ATOM 0 HG3 GLU A 21 -3.104 -5.474 -11.254 1.00 1.41 H new ATOM 349 N GLU A 22 -6.633 -2.476 -11.678 1.00 75.22 N ATOM 350 CA GLU A 22 -7.908 -1.797 -11.476 1.00 20.22 C ATOM 351 C GLU A 22 -7.865 -0.380 -12.040 1.00 73.24 C ATOM 352 O GLU A 22 -8.880 0.152 -12.489 1.00 63.32 O ATOM 353 CB GLU A 22 -8.257 -1.754 -9.987 1.00 34.33 C ATOM 354 CG GLU A 22 -7.724 -2.941 -9.202 1.00 35.30 C ATOM 355 CD GLU A 22 -8.195 -2.947 -7.761 1.00 12.54 C ATOM 356 OE1 GLU A 22 -7.948 -1.949 -7.051 1.00 62.14 O ATOM 357 OE2 GLU A 22 -8.812 -3.949 -7.342 1.00 43.11 O ATOM 0 H GLU A 22 -5.955 -2.333 -10.929 1.00 75.22 H new ATOM 0 HA GLU A 22 -8.677 -2.358 -12.007 1.00 20.22 H new ATOM 0 HB2 GLU A 22 -7.859 -0.836 -9.556 1.00 34.33 H new ATOM 0 HB3 GLU A 22 -9.341 -1.714 -9.878 1.00 34.33 H new ATOM 0 HG2 GLU A 22 -8.040 -3.864 -9.687 1.00 35.30 H new ATOM 0 HG3 GLU A 22 -6.634 -2.926 -9.224 1.00 35.30 H new ATOM 364 N GLY A 23 -6.682 0.226 -12.014 1.00 11.04 N ATOM 365 CA GLY A 23 -6.528 1.576 -12.524 1.00 73.44 C ATOM 366 C GLY A 23 -7.428 2.569 -11.817 1.00 0.42 C ATOM 367 O GLY A 23 -8.326 3.161 -12.415 1.00 54.51 O ATOM 0 H GLY A 23 -5.827 -0.194 -11.649 1.00 11.04 H new ATOM 0 HA2 GLY A 23 -5.490 1.887 -12.411 1.00 73.44 H new ATOM 0 HA3 GLY A 23 -6.750 1.585 -13.591 1.00 73.44 H new ATOM 371 N PRO A 24 -7.191 2.763 -10.511 1.00 24.11 N ATOM 372 CA PRO A 24 -7.977 3.691 -9.692 1.00 62.24 C ATOM 373 C PRO A 24 -7.716 5.148 -10.056 1.00 42.51 C ATOM 374 O PRO A 24 -8.405 5.720 -10.901 1.00 42.21 O ATOM 375 CB PRO A 24 -7.497 3.401 -8.268 1.00 33.10 C ATOM 376 CG PRO A 24 -6.123 2.851 -8.435 1.00 41.04 C ATOM 377 CD PRO A 24 -6.136 2.091 -9.733 1.00 12.11 C ATOM 0 HA PRO A 24 -9.049 3.551 -9.832 1.00 62.24 H new ATOM 0 HB2 PRO A 24 -7.490 4.306 -7.661 1.00 33.10 H new ATOM 0 HB3 PRO A 24 -8.151 2.687 -7.768 1.00 33.10 H new ATOM 0 HG2 PRO A 24 -5.383 3.651 -8.458 1.00 41.04 H new ATOM 0 HG3 PRO A 24 -5.860 2.198 -7.603 1.00 41.04 H new ATOM 0 HD2 PRO A 24 -5.171 2.141 -10.238 1.00 12.11 H new ATOM 0 HD3 PRO A 24 -6.361 1.036 -9.579 1.00 12.11 H new ATOM 385 N ASP A 25 -6.717 5.744 -9.414 1.00 32.15 N ATOM 386 CA ASP A 25 -6.364 7.135 -9.671 1.00 12.33 C ATOM 387 C ASP A 25 -5.349 7.636 -8.648 1.00 53.40 C ATOM 388 O ASP A 25 -5.706 7.981 -7.521 1.00 40.33 O ATOM 389 CB ASP A 25 -7.615 8.015 -9.640 1.00 1.12 C ATOM 390 CG ASP A 25 -8.595 7.590 -8.564 1.00 53.14 C ATOM 391 OD1 ASP A 25 -8.325 7.859 -7.375 1.00 14.30 O ATOM 392 OD2 ASP A 25 -9.633 6.989 -8.912 1.00 50.12 O ATOM 0 H ASP A 25 -6.137 5.285 -8.711 1.00 32.15 H new ATOM 0 HA ASP A 25 -5.913 7.193 -10.662 1.00 12.33 H new ATOM 0 HB2 ASP A 25 -7.323 9.052 -9.472 1.00 1.12 H new ATOM 0 HB3 ASP A 25 -8.107 7.976 -10.612 1.00 1.12 H new ATOM 397 N VAL A 26 -4.082 7.673 -9.048 1.00 71.02 N ATOM 398 CA VAL A 26 -3.015 8.132 -8.167 1.00 30.31 C ATOM 399 C VAL A 26 -2.272 9.316 -8.774 1.00 64.04 C ATOM 400 O VAL A 26 -2.036 9.362 -9.982 1.00 22.41 O ATOM 401 CB VAL A 26 -2.008 7.004 -7.871 1.00 0.50 C ATOM 402 CG1 VAL A 26 -0.696 7.256 -8.599 1.00 30.35 C ATOM 403 CG2 VAL A 26 -1.780 6.874 -6.373 1.00 2.34 C ATOM 0 H VAL A 26 -3.769 7.390 -9.977 1.00 71.02 H new ATOM 0 HA VAL A 26 -3.486 8.443 -7.234 1.00 30.31 H new ATOM 0 HB VAL A 26 -2.423 6.064 -8.235 1.00 0.50 H new ATOM 0 HG11 VAL A 26 0.003 6.449 -8.378 1.00 30.35 H new ATOM 0 HG12 VAL A 26 -0.878 7.295 -9.673 1.00 30.35 H new ATOM 0 HG13 VAL A 26 -0.272 8.204 -8.268 1.00 30.35 H new ATOM 0 HG21 VAL A 26 -1.066 6.073 -6.182 1.00 2.34 H new ATOM 0 HG22 VAL A 26 -1.386 7.812 -5.982 1.00 2.34 H new ATOM 0 HG23 VAL A 26 -2.724 6.644 -5.880 1.00 2.34 H new ATOM 413 N PHE A 27 -1.904 10.273 -7.929 1.00 41.21 N ATOM 414 CA PHE A 27 -1.187 11.459 -8.383 1.00 2.35 C ATOM 415 C PHE A 27 0.311 11.322 -8.123 1.00 74.12 C ATOM 416 O PHE A 27 0.748 11.235 -6.976 1.00 1.53 O ATOM 417 CB PHE A 27 -1.725 12.707 -7.679 1.00 33.21 C ATOM 418 CG PHE A 27 -1.673 13.944 -8.529 1.00 11.01 C ATOM 419 CD1 PHE A 27 -0.521 14.275 -9.223 1.00 42.25 C ATOM 420 CD2 PHE A 27 -2.776 14.776 -8.634 1.00 34.51 C ATOM 421 CE1 PHE A 27 -0.470 15.413 -10.006 1.00 0.54 C ATOM 422 CE2 PHE A 27 -2.732 15.915 -9.415 1.00 4.10 C ATOM 423 CZ PHE A 27 -1.577 16.234 -10.103 1.00 30.35 C ATOM 0 H PHE A 27 -2.090 10.251 -6.926 1.00 41.21 H new ATOM 0 HA PHE A 27 -1.345 11.559 -9.457 1.00 2.35 H new ATOM 0 HB2 PHE A 27 -2.756 12.527 -7.376 1.00 33.21 H new ATOM 0 HB3 PHE A 27 -1.150 12.877 -6.769 1.00 33.21 H new ATOM 0 HD1 PHE A 27 0.347 13.637 -9.152 1.00 42.25 H new ATOM 0 HD2 PHE A 27 -3.681 14.531 -8.099 1.00 34.51 H new ATOM 0 HE1 PHE A 27 0.435 15.660 -10.542 1.00 0.54 H new ATOM 0 HE2 PHE A 27 -3.599 16.555 -9.488 1.00 4.10 H new ATOM 0 HZ PHE A 27 -1.540 17.123 -10.715 1.00 30.35 H new ATOM 433 N VAL A 28 1.092 11.302 -9.198 1.00 71.14 N ATOM 434 CA VAL A 28 2.540 11.175 -9.089 1.00 3.53 C ATOM 435 C VAL A 28 3.246 12.367 -9.727 1.00 32.22 C ATOM 436 O VAL A 28 2.785 12.910 -10.732 1.00 22.34 O ATOM 437 CB VAL A 28 3.043 9.880 -9.752 1.00 75.55 C ATOM 438 CG1 VAL A 28 2.033 8.757 -9.565 1.00 52.52 C ATOM 439 CG2 VAL A 28 3.325 10.113 -11.229 1.00 21.41 C ATOM 0 H VAL A 28 0.746 11.372 -10.155 1.00 71.14 H new ATOM 0 HA VAL A 28 2.775 11.143 -8.025 1.00 3.53 H new ATOM 0 HB VAL A 28 3.974 9.583 -9.270 1.00 75.55 H new ATOM 0 HG11 VAL A 28 2.406 7.850 -10.040 1.00 52.52 H new ATOM 0 HG12 VAL A 28 1.885 8.575 -8.501 1.00 52.52 H new ATOM 0 HG13 VAL A 28 1.084 9.041 -10.020 1.00 52.52 H new ATOM 0 HG21 VAL A 28 3.680 9.187 -11.682 1.00 21.41 H new ATOM 0 HG22 VAL A 28 2.411 10.434 -11.728 1.00 21.41 H new ATOM 0 HG23 VAL A 28 4.087 10.885 -11.337 1.00 21.41 H new ATOM 449 N HIS A 29 4.367 12.769 -9.137 1.00 41.00 N ATOM 450 CA HIS A 29 5.138 13.896 -9.649 1.00 2.53 C ATOM 451 C HIS A 29 6.583 13.488 -9.920 1.00 51.13 C ATOM 452 O HIS A 29 7.070 12.494 -9.381 1.00 13.34 O ATOM 453 CB HIS A 29 5.103 15.059 -8.656 1.00 35.42 C ATOM 454 CG HIS A 29 3.990 16.028 -8.909 1.00 14.54 C ATOM 455 ND1 HIS A 29 4.197 17.377 -9.107 1.00 43.21 N ATOM 456 CD2 HIS A 29 2.652 15.838 -8.996 1.00 44.34 C ATOM 457 CE1 HIS A 29 3.036 17.975 -9.304 1.00 72.13 C ATOM 458 NE2 HIS A 29 2.082 17.063 -9.243 1.00 2.14 N ATOM 0 H HIS A 29 4.762 12.331 -8.304 1.00 41.00 H new ATOM 0 HA HIS A 29 4.686 14.216 -10.588 1.00 2.53 H new ATOM 0 HB2 HIS A 29 5.005 14.661 -7.646 1.00 35.42 H new ATOM 0 HB3 HIS A 29 6.054 15.591 -8.698 1.00 35.42 H new ATOM 0 HD2 HIS A 29 2.130 14.898 -8.891 1.00 44.34 H new ATOM 0 HE1 HIS A 29 2.891 19.030 -9.484 1.00 72.13 H new ATOM 0 HE2 HIS A 29 1.084 17.240 -9.360 1.00 2.14 H new ATOM 466 N PHE A 30 7.263 14.261 -10.761 1.00 21.23 N ATOM 467 CA PHE A 30 8.652 13.978 -11.105 1.00 53.34 C ATOM 468 C PHE A 30 9.516 13.889 -9.851 1.00 41.41 C ATOM 469 O PHE A 30 10.578 13.265 -9.857 1.00 13.21 O ATOM 470 CB PHE A 30 9.198 15.060 -12.039 1.00 52.41 C ATOM 471 CG PHE A 30 9.539 16.343 -11.336 1.00 22.24 C ATOM 472 CD1 PHE A 30 8.541 17.147 -10.810 1.00 11.10 C ATOM 473 CD2 PHE A 30 10.858 16.744 -11.199 1.00 65.35 C ATOM 474 CE1 PHE A 30 8.852 18.328 -10.163 1.00 24.11 C ATOM 475 CE2 PHE A 30 11.176 17.923 -10.553 1.00 2.40 C ATOM 476 CZ PHE A 30 10.172 18.716 -10.033 1.00 73.12 C ATOM 0 H PHE A 30 6.875 15.087 -11.216 1.00 21.23 H new ATOM 0 HA PHE A 30 8.685 13.016 -11.616 1.00 53.34 H new ATOM 0 HB2 PHE A 30 10.089 14.681 -12.539 1.00 52.41 H new ATOM 0 HB3 PHE A 30 8.460 15.265 -12.815 1.00 52.41 H new ATOM 0 HD1 PHE A 30 7.508 16.847 -10.907 1.00 11.10 H new ATOM 0 HD2 PHE A 30 11.648 16.127 -11.602 1.00 65.35 H new ATOM 0 HE1 PHE A 30 8.064 18.947 -9.759 1.00 24.11 H new ATOM 0 HE2 PHE A 30 12.208 18.224 -10.455 1.00 2.40 H new ATOM 0 HZ PHE A 30 10.418 19.637 -9.526 1.00 73.12 H new ATOM 486 N THR A 31 9.054 14.519 -8.775 1.00 42.32 N ATOM 487 CA THR A 31 9.784 14.514 -7.514 1.00 24.30 C ATOM 488 C THR A 31 9.270 13.419 -6.586 1.00 2.22 C ATOM 489 O THR A 31 9.420 13.505 -5.367 1.00 60.54 O ATOM 490 CB THR A 31 9.676 15.872 -6.796 1.00 42.32 C ATOM 491 OG1 THR A 31 10.543 15.895 -5.657 1.00 20.33 O ATOM 492 CG2 THR A 31 8.245 16.140 -6.356 1.00 72.52 C ATOM 0 H THR A 31 8.177 15.039 -8.752 1.00 42.32 H new ATOM 0 HA THR A 31 10.829 14.322 -7.755 1.00 24.30 H new ATOM 0 HB THR A 31 9.976 16.652 -7.496 1.00 42.32 H new ATOM 0 HG1 THR A 31 10.459 15.052 -5.165 1.00 20.33 H new ATOM 0 HG21 THR A 31 8.194 17.105 -5.851 1.00 72.52 H new ATOM 0 HG22 THR A 31 7.592 16.152 -7.229 1.00 72.52 H new ATOM 0 HG23 THR A 31 7.922 15.355 -5.672 1.00 72.52 H new ATOM 500 N ALA A 32 8.664 12.391 -7.170 1.00 60.21 N ATOM 501 CA ALA A 32 8.130 11.278 -6.395 1.00 22.11 C ATOM 502 C ALA A 32 8.675 9.946 -6.900 1.00 12.02 C ATOM 503 O ALA A 32 8.381 8.891 -6.336 1.00 43.22 O ATOM 504 CB ALA A 32 6.609 11.281 -6.445 1.00 5.43 C ATOM 0 H ALA A 32 8.531 12.306 -8.178 1.00 60.21 H new ATOM 0 HA ALA A 32 8.449 11.403 -5.360 1.00 22.11 H new ATOM 0 HB1 ALA A 32 6.224 10.444 -5.862 1.00 5.43 H new ATOM 0 HB2 ALA A 32 6.233 12.216 -6.030 1.00 5.43 H new ATOM 0 HB3 ALA A 32 6.279 11.185 -7.479 1.00 5.43 H new ATOM 510 N ILE A 33 9.468 10.002 -7.964 1.00 71.24 N ATOM 511 CA ILE A 33 10.053 8.799 -8.544 1.00 42.41 C ATOM 512 C ILE A 33 11.424 8.510 -7.942 1.00 32.33 C ATOM 513 O ILE A 33 12.271 9.397 -7.848 1.00 61.02 O ATOM 514 CB ILE A 33 10.192 8.922 -10.073 1.00 64.10 C ATOM 515 CG1 ILE A 33 8.814 9.052 -10.724 1.00 32.42 C ATOM 516 CG2 ILE A 33 10.939 7.721 -10.635 1.00 34.01 C ATOM 517 CD1 ILE A 33 8.385 10.484 -10.950 1.00 52.42 C ATOM 0 H ILE A 33 9.720 10.867 -8.442 1.00 71.24 H new ATOM 0 HA ILE A 33 9.376 7.976 -8.314 1.00 42.41 H new ATOM 0 HB ILE A 33 10.766 9.821 -10.300 1.00 64.10 H new ATOM 0 HG12 ILE A 33 8.822 8.529 -11.680 1.00 32.42 H new ATOM 0 HG13 ILE A 33 8.076 8.555 -10.095 1.00 32.42 H new ATOM 0 HG21 ILE A 33 11.029 7.822 -11.717 1.00 34.01 H new ATOM 0 HG22 ILE A 33 11.933 7.670 -10.191 1.00 34.01 H new ATOM 0 HG23 ILE A 33 10.390 6.809 -10.401 1.00 34.01 H new ATOM 0 HD11 ILE A 33 7.399 10.499 -11.415 1.00 52.42 H new ATOM 0 HD12 ILE A 33 8.344 11.007 -9.994 1.00 52.42 H new ATOM 0 HD13 ILE A 33 9.102 10.980 -11.604 1.00 52.42 H new ATOM 529 N GLU A 34 11.634 7.261 -7.536 1.00 41.22 N ATOM 530 CA GLU A 34 12.903 6.855 -6.944 1.00 31.33 C ATOM 531 C GLU A 34 13.624 5.851 -7.838 1.00 62.51 C ATOM 532 O GLU A 34 13.488 4.640 -7.665 1.00 62.23 O ATOM 533 CB GLU A 34 12.673 6.247 -5.558 1.00 51.23 C ATOM 534 CG GLU A 34 11.807 7.107 -4.653 1.00 31.21 C ATOM 535 CD GLU A 34 12.536 7.554 -3.401 1.00 23.01 C ATOM 536 OE1 GLU A 34 13.259 8.570 -3.465 1.00 55.54 O ATOM 537 OE2 GLU A 34 12.384 6.887 -2.356 1.00 61.31 O ATOM 0 H GLU A 34 10.943 6.514 -7.606 1.00 41.22 H new ATOM 0 HA GLU A 34 13.529 7.742 -6.845 1.00 31.33 H new ATOM 0 HB2 GLU A 34 12.205 5.269 -5.672 1.00 51.23 H new ATOM 0 HB3 GLU A 34 13.638 6.085 -5.077 1.00 51.23 H new ATOM 0 HG2 GLU A 34 11.470 7.984 -5.205 1.00 31.21 H new ATOM 0 HG3 GLU A 34 10.916 6.547 -4.370 1.00 31.21 H new ATOM 544 N ALA A 35 14.391 6.363 -8.795 1.00 0.31 N ATOM 545 CA ALA A 35 15.135 5.513 -9.716 1.00 32.33 C ATOM 546 C ALA A 35 16.615 5.881 -9.729 1.00 74.24 C ATOM 547 O ALA A 35 17.045 6.786 -9.015 1.00 44.31 O ATOM 548 CB ALA A 35 14.551 5.614 -11.117 1.00 14.31 C ATOM 0 H ALA A 35 14.513 7.363 -8.953 1.00 0.31 H new ATOM 0 HA ALA A 35 15.047 4.483 -9.372 1.00 32.33 H new ATOM 0 HB1 ALA A 35 15.117 4.974 -11.794 1.00 14.31 H new ATOM 0 HB2 ALA A 35 13.509 5.294 -11.101 1.00 14.31 H new ATOM 0 HB3 ALA A 35 14.608 6.647 -11.461 1.00 14.31 H new ATOM 554 N ASP A 36 17.388 5.173 -10.545 1.00 52.25 N ATOM 555 CA ASP A 36 18.820 5.426 -10.652 1.00 41.03 C ATOM 556 C ASP A 36 19.129 6.294 -11.868 1.00 4.53 C ATOM 557 O ASP A 36 19.629 5.807 -12.881 1.00 3.14 O ATOM 558 CB ASP A 36 19.587 4.106 -10.745 1.00 1.04 C ATOM 559 CG ASP A 36 19.948 3.550 -9.381 1.00 60.43 C ATOM 560 OD1 ASP A 36 20.611 4.268 -8.604 1.00 74.02 O ATOM 561 OD2 ASP A 36 19.569 2.395 -9.092 1.00 14.32 O ATOM 0 H ASP A 36 17.047 4.419 -11.142 1.00 52.25 H new ATOM 0 HA ASP A 36 19.138 5.960 -9.756 1.00 41.03 H new ATOM 0 HB2 ASP A 36 18.984 3.376 -11.284 1.00 1.04 H new ATOM 0 HB3 ASP A 36 20.497 4.258 -11.325 1.00 1.04 H new ATOM 566 N GLY A 37 18.827 7.585 -11.759 1.00 62.23 N ATOM 567 CA GLY A 37 19.079 8.500 -12.857 1.00 13.42 C ATOM 568 C GLY A 37 18.006 9.564 -12.983 1.00 34.45 C ATOM 569 O GLY A 37 17.811 10.370 -12.073 1.00 33.13 O ATOM 0 H GLY A 37 18.413 8.013 -10.931 1.00 62.23 H new ATOM 0 HA2 GLY A 37 20.047 8.980 -12.711 1.00 13.42 H new ATOM 0 HA3 GLY A 37 19.139 7.937 -13.788 1.00 13.42 H new ATOM 573 N PHE A 38 17.308 9.567 -14.114 1.00 1.24 N ATOM 574 CA PHE A 38 16.251 10.541 -14.357 1.00 14.45 C ATOM 575 C PHE A 38 14.930 10.072 -13.753 1.00 11.40 C ATOM 576 O PHE A 38 14.397 9.030 -14.133 1.00 23.41 O ATOM 577 CB PHE A 38 16.082 10.779 -15.859 1.00 30.13 C ATOM 578 CG PHE A 38 17.112 11.706 -16.438 1.00 72.03 C ATOM 579 CD1 PHE A 38 17.173 13.031 -16.039 1.00 51.42 C ATOM 580 CD2 PHE A 38 18.019 11.252 -17.382 1.00 22.12 C ATOM 581 CE1 PHE A 38 18.119 13.887 -16.572 1.00 20.44 C ATOM 582 CE2 PHE A 38 18.968 12.102 -17.917 1.00 50.45 C ATOM 583 CZ PHE A 38 19.018 13.421 -17.511 1.00 5.31 C ATOM 0 H PHE A 38 17.456 8.906 -14.876 1.00 1.24 H new ATOM 0 HA PHE A 38 16.537 11.477 -13.878 1.00 14.45 H new ATOM 0 HB2 PHE A 38 16.133 9.822 -16.378 1.00 30.13 H new ATOM 0 HB3 PHE A 38 15.090 11.190 -16.044 1.00 30.13 H new ATOM 0 HD1 PHE A 38 16.474 13.400 -15.303 1.00 51.42 H new ATOM 0 HD2 PHE A 38 17.984 10.222 -17.703 1.00 22.12 H new ATOM 0 HE1 PHE A 38 18.155 14.919 -16.254 1.00 20.44 H new ATOM 0 HE2 PHE A 38 19.670 11.735 -18.652 1.00 50.45 H new ATOM 0 HZ PHE A 38 19.759 14.087 -17.927 1.00 5.31 H new ATOM 593 N ARG A 39 14.408 10.850 -12.810 1.00 52.22 N ATOM 594 CA ARG A 39 13.151 10.514 -12.152 1.00 51.43 C ATOM 595 C ARG A 39 11.985 10.597 -13.133 1.00 12.41 C ATOM 596 O ARG A 39 11.529 11.687 -13.482 1.00 73.21 O ATOM 597 CB ARG A 39 12.904 11.452 -10.969 1.00 32.21 C ATOM 598 CG ARG A 39 13.696 11.084 -9.725 1.00 34.12 C ATOM 599 CD ARG A 39 15.148 11.521 -9.839 1.00 72.54 C ATOM 600 NE ARG A 39 15.758 11.740 -8.531 1.00 1.51 N ATOM 601 CZ ARG A 39 15.488 12.789 -7.761 1.00 21.31 C ATOM 602 NH1 ARG A 39 14.623 13.708 -8.166 1.00 75.31 N ATOM 603 NH2 ARG A 39 16.084 12.919 -6.583 1.00 21.14 N ATOM 0 H ARG A 39 14.836 11.717 -12.485 1.00 52.22 H new ATOM 0 HA ARG A 39 13.223 9.490 -11.786 1.00 51.43 H new ATOM 0 HB2 ARG A 39 13.159 12.470 -11.264 1.00 32.21 H new ATOM 0 HB3 ARG A 39 11.841 11.447 -10.728 1.00 32.21 H new ATOM 0 HG2 ARG A 39 13.242 11.552 -8.852 1.00 34.12 H new ATOM 0 HG3 ARG A 39 13.651 10.006 -9.569 1.00 34.12 H new ATOM 0 HD2 ARG A 39 15.713 10.762 -10.380 1.00 72.54 H new ATOM 0 HD3 ARG A 39 15.205 12.439 -10.424 1.00 72.54 H new ATOM 0 HE ARG A 39 16.428 11.051 -8.190 1.00 1.51 H new ATOM 0 HH11 ARG A 39 14.162 13.611 -9.071 1.00 75.31 H new ATOM 0 HH12 ARG A 39 14.418 14.512 -7.573 1.00 75.31 H new ATOM 0 HH21 ARG A 39 16.750 12.214 -6.268 1.00 21.14 H new ATOM 0 HH22 ARG A 39 15.876 13.724 -5.993 1.00 21.14 H new ATOM 617 N THR A 40 11.506 9.438 -13.575 1.00 2.51 N ATOM 618 CA THR A 40 10.395 9.380 -14.516 1.00 61.42 C ATOM 619 C THR A 40 10.012 7.937 -14.825 1.00 62.23 C ATOM 620 O THR A 40 10.805 7.016 -14.623 1.00 43.22 O ATOM 621 CB THR A 40 10.736 10.102 -15.833 1.00 73.24 C ATOM 622 OG1 THR A 40 9.717 9.849 -16.808 1.00 45.40 O ATOM 623 CG2 THR A 40 12.083 9.642 -16.370 1.00 1.44 C ATOM 0 H THR A 40 11.871 8.527 -13.296 1.00 2.51 H new ATOM 0 HA THR A 40 9.552 9.884 -14.042 1.00 61.42 H new ATOM 0 HB THR A 40 10.789 11.172 -15.632 1.00 73.24 H new ATOM 0 HG1 THR A 40 8.838 10.039 -16.419 1.00 45.40 H new ATOM 0 HG21 THR A 40 12.302 10.166 -17.300 1.00 1.44 H new ATOM 0 HG22 THR A 40 12.861 9.862 -15.638 1.00 1.44 H new ATOM 0 HG23 THR A 40 12.053 8.568 -16.556 1.00 1.44 H new ATOM 631 N LEU A 41 8.793 7.746 -15.317 1.00 20.42 N ATOM 632 CA LEU A 41 8.305 6.413 -15.655 1.00 52.11 C ATOM 633 C LEU A 41 8.203 6.238 -17.167 1.00 0.11 C ATOM 634 O LEU A 41 8.574 7.128 -17.931 1.00 0.11 O ATOM 635 CB LEU A 41 6.940 6.169 -15.009 1.00 52.41 C ATOM 636 CG LEU A 41 6.819 6.546 -13.532 1.00 5.10 C ATOM 637 CD1 LEU A 41 5.408 6.289 -13.029 1.00 34.42 C ATOM 638 CD2 LEU A 41 7.833 5.774 -12.700 1.00 62.13 C ATOM 0 H LEU A 41 8.125 8.497 -15.491 1.00 20.42 H new ATOM 0 HA LEU A 41 9.018 5.684 -15.270 1.00 52.11 H new ATOM 0 HB2 LEU A 41 6.190 6.728 -15.569 1.00 52.41 H new ATOM 0 HB3 LEU A 41 6.694 5.112 -15.115 1.00 52.41 H new ATOM 0 HG LEU A 41 7.030 7.611 -13.430 1.00 5.10 H new ATOM 0 HD11 LEU A 41 5.341 6.563 -11.976 1.00 34.42 H new ATOM 0 HD12 LEU A 41 4.702 6.887 -13.605 1.00 34.42 H new ATOM 0 HD13 LEU A 41 5.167 5.232 -13.145 1.00 34.42 H new ATOM 0 HD21 LEU A 41 7.733 6.055 -11.652 1.00 62.13 H new ATOM 0 HD22 LEU A 41 7.653 4.704 -12.808 1.00 62.13 H new ATOM 0 HD23 LEU A 41 8.840 6.009 -13.044 1.00 62.13 H new ATOM 650 N ASN A 42 7.696 5.085 -17.591 1.00 53.22 N ATOM 651 CA ASN A 42 7.543 4.794 -19.012 1.00 43.01 C ATOM 652 C ASN A 42 6.108 4.390 -19.334 1.00 32.34 C ATOM 653 O ASN A 42 5.548 3.496 -18.700 1.00 21.22 O ATOM 654 CB ASN A 42 8.505 3.680 -19.432 1.00 11.33 C ATOM 655 CG ASN A 42 9.947 4.148 -19.477 1.00 32.00 C ATOM 656 OD1 ASN A 42 10.348 4.870 -20.390 1.00 4.14 O ATOM 657 ND2 ASN A 42 10.733 3.737 -18.489 1.00 62.32 N ATOM 0 H ASN A 42 7.384 4.337 -16.971 1.00 53.22 H new ATOM 0 HA ASN A 42 7.780 5.700 -19.570 1.00 43.01 H new ATOM 0 HB2 ASN A 42 8.418 2.847 -18.735 1.00 11.33 H new ATOM 0 HB3 ASN A 42 8.217 3.306 -20.414 1.00 11.33 H new ATOM 0 HD21 ASN A 42 11.713 4.019 -18.466 1.00 62.32 H new ATOM 0 HD22 ASN A 42 10.357 3.139 -17.753 1.00 62.32 H new ATOM 664 N GLU A 43 5.519 5.054 -20.323 1.00 11.51 N ATOM 665 CA GLU A 43 4.149 4.764 -20.728 1.00 34.10 C ATOM 666 C GLU A 43 4.000 3.301 -21.136 1.00 23.13 C ATOM 667 O GLU A 43 4.695 2.821 -22.031 1.00 13.22 O ATOM 668 CB GLU A 43 3.732 5.672 -21.887 1.00 3.43 C ATOM 669 CG GLU A 43 2.360 5.348 -22.452 1.00 34.14 C ATOM 670 CD GLU A 43 2.046 6.134 -23.710 1.00 13.34 C ATOM 671 OE1 GLU A 43 1.913 7.373 -23.618 1.00 61.54 O ATOM 672 OE2 GLU A 43 1.933 5.510 -24.786 1.00 11.53 O ATOM 0 H GLU A 43 5.969 5.796 -20.859 1.00 11.51 H new ATOM 0 HA GLU A 43 3.498 4.954 -19.875 1.00 34.10 H new ATOM 0 HB2 GLU A 43 3.740 6.708 -21.547 1.00 3.43 H new ATOM 0 HB3 GLU A 43 4.472 5.592 -22.684 1.00 3.43 H new ATOM 0 HG2 GLU A 43 2.304 4.282 -22.671 1.00 34.14 H new ATOM 0 HG3 GLU A 43 1.602 5.559 -21.698 1.00 34.14 H new ATOM 679 N GLY A 44 3.089 2.597 -20.471 1.00 24.53 N ATOM 680 CA GLY A 44 2.866 1.196 -20.777 1.00 24.42 C ATOM 681 C GLY A 44 3.798 0.279 -20.009 1.00 63.03 C ATOM 682 O GLY A 44 3.847 -0.923 -20.267 1.00 32.32 O ATOM 0 H GLY A 44 2.502 2.972 -19.726 1.00 24.53 H new ATOM 0 HA2 GLY A 44 1.833 0.937 -20.545 1.00 24.42 H new ATOM 0 HA3 GLY A 44 3.002 1.035 -21.846 1.00 24.42 H new ATOM 686 N GLU A 45 4.541 0.848 -19.065 1.00 51.40 N ATOM 687 CA GLU A 45 5.478 0.073 -18.260 1.00 13.40 C ATOM 688 C GLU A 45 4.950 -0.112 -16.840 1.00 65.50 C ATOM 689 O GLU A 45 4.078 0.630 -16.387 1.00 63.24 O ATOM 690 CB GLU A 45 6.844 0.762 -18.222 1.00 54.05 C ATOM 691 CG GLU A 45 7.917 -0.053 -17.520 1.00 52.51 C ATOM 692 CD GLU A 45 9.304 0.210 -18.074 1.00 30.33 C ATOM 693 OE1 GLU A 45 9.685 -0.457 -19.059 1.00 33.02 O ATOM 694 OE2 GLU A 45 10.009 1.081 -17.522 1.00 74.43 O ATOM 0 H GLU A 45 4.512 1.842 -18.839 1.00 51.40 H new ATOM 0 HA GLU A 45 5.587 -0.909 -18.720 1.00 13.40 H new ATOM 0 HB2 GLU A 45 7.166 0.968 -19.243 1.00 54.05 H new ATOM 0 HB3 GLU A 45 6.743 1.724 -17.719 1.00 54.05 H new ATOM 0 HG2 GLU A 45 7.905 0.178 -16.455 1.00 52.51 H new ATOM 0 HG3 GLU A 45 7.685 -1.114 -17.619 1.00 52.51 H new ATOM 701 N HIS A 46 5.486 -1.109 -16.142 1.00 73.21 N ATOM 702 CA HIS A 46 5.070 -1.394 -14.773 1.00 53.43 C ATOM 703 C HIS A 46 5.907 -0.599 -13.775 1.00 73.50 C ATOM 704 O HIS A 46 7.114 -0.435 -13.954 1.00 14.54 O ATOM 705 CB HIS A 46 5.190 -2.890 -14.482 1.00 5.44 C ATOM 706 CG HIS A 46 4.705 -3.759 -15.600 1.00 72.12 C ATOM 707 ND1 HIS A 46 3.467 -4.367 -15.598 1.00 22.11 N ATOM 708 CD2 HIS A 46 5.297 -4.120 -16.762 1.00 64.03 C ATOM 709 CE1 HIS A 46 3.320 -5.066 -16.709 1.00 43.24 C ATOM 710 NE2 HIS A 46 4.417 -4.932 -17.434 1.00 33.15 N ATOM 0 H HIS A 46 6.209 -1.732 -16.502 1.00 73.21 H new ATOM 0 HA HIS A 46 4.028 -1.094 -14.666 1.00 53.43 H new ATOM 0 HB2 HIS A 46 6.233 -3.129 -14.274 1.00 5.44 H new ATOM 0 HB3 HIS A 46 4.624 -3.123 -13.580 1.00 5.44 H new ATOM 0 HD2 HIS A 46 6.280 -3.824 -17.099 1.00 64.03 H new ATOM 0 HE1 HIS A 46 2.451 -5.648 -16.979 1.00 43.24 H new ATOM 0 HE2 HIS A 46 4.583 -5.362 -18.344 1.00 33.15 H new ATOM 718 N VAL A 47 5.258 -0.109 -12.724 1.00 14.31 N ATOM 719 CA VAL A 47 5.942 0.668 -11.697 1.00 71.01 C ATOM 720 C VAL A 47 5.158 0.662 -10.390 1.00 13.03 C ATOM 721 O VAL A 47 3.930 0.742 -10.391 1.00 51.42 O ATOM 722 CB VAL A 47 6.158 2.125 -12.147 1.00 3.25 C ATOM 723 CG1 VAL A 47 7.313 2.214 -13.132 1.00 43.23 C ATOM 724 CG2 VAL A 47 4.883 2.690 -12.754 1.00 62.23 C ATOM 0 H VAL A 47 4.259 -0.236 -12.561 1.00 14.31 H new ATOM 0 HA VAL A 47 6.912 0.197 -11.537 1.00 71.01 H new ATOM 0 HB VAL A 47 6.412 2.723 -11.272 1.00 3.25 H new ATOM 0 HG11 VAL A 47 7.451 3.251 -13.439 1.00 43.23 H new ATOM 0 HG12 VAL A 47 8.225 1.852 -12.657 1.00 43.23 H new ATOM 0 HG13 VAL A 47 7.093 1.603 -14.007 1.00 43.23 H new ATOM 0 HG21 VAL A 47 5.054 3.720 -13.066 1.00 62.23 H new ATOM 0 HG22 VAL A 47 4.595 2.092 -13.619 1.00 62.23 H new ATOM 0 HG23 VAL A 47 4.084 2.664 -12.013 1.00 62.23 H new ATOM 734 N GLU A 48 5.876 0.567 -9.275 1.00 63.33 N ATOM 735 CA GLU A 48 5.247 0.550 -7.960 1.00 54.12 C ATOM 736 C GLU A 48 5.224 1.948 -7.350 1.00 5.51 C ATOM 737 O GLU A 48 6.254 2.618 -7.266 1.00 64.14 O ATOM 738 CB GLU A 48 5.985 -0.413 -7.029 1.00 21.33 C ATOM 739 CG GLU A 48 5.648 -0.219 -5.560 1.00 53.41 C ATOM 740 CD GLU A 48 6.152 -1.354 -4.690 1.00 43.51 C ATOM 741 OE1 GLU A 48 6.753 -2.301 -5.239 1.00 1.40 O ATOM 742 OE2 GLU A 48 5.946 -1.294 -3.460 1.00 3.23 O ATOM 0 H GLU A 48 6.894 0.501 -9.257 1.00 63.33 H new ATOM 0 HA GLU A 48 4.219 0.209 -8.082 1.00 54.12 H new ATOM 0 HB2 GLU A 48 5.746 -1.437 -7.316 1.00 21.33 H new ATOM 0 HB3 GLU A 48 7.059 -0.286 -7.166 1.00 21.33 H new ATOM 0 HG2 GLU A 48 6.081 0.719 -5.213 1.00 53.41 H new ATOM 0 HG3 GLU A 48 4.567 -0.133 -5.448 1.00 53.41 H new ATOM 749 N PHE A 49 4.043 2.384 -6.925 1.00 71.40 N ATOM 750 CA PHE A 49 3.885 3.703 -6.324 1.00 30.33 C ATOM 751 C PHE A 49 3.359 3.590 -4.896 1.00 31.03 C ATOM 752 O PHE A 49 2.554 2.712 -4.588 1.00 73.00 O ATOM 753 CB PHE A 49 2.935 4.559 -7.163 1.00 74.22 C ATOM 754 CG PHE A 49 1.635 3.876 -7.480 1.00 53.41 C ATOM 755 CD1 PHE A 49 1.546 2.980 -8.533 1.00 23.35 C ATOM 756 CD2 PHE A 49 0.501 4.132 -6.726 1.00 11.22 C ATOM 757 CE1 PHE A 49 0.352 2.350 -8.827 1.00 34.44 C ATOM 758 CE2 PHE A 49 -0.696 3.505 -7.015 1.00 32.02 C ATOM 759 CZ PHE A 49 -0.771 2.614 -8.067 1.00 73.42 C ATOM 0 H PHE A 49 3.181 1.843 -6.986 1.00 71.40 H new ATOM 0 HA PHE A 49 4.864 4.181 -6.295 1.00 30.33 H new ATOM 0 HB2 PHE A 49 2.728 5.487 -6.630 1.00 74.22 H new ATOM 0 HB3 PHE A 49 3.431 4.830 -8.095 1.00 74.22 H new ATOM 0 HD1 PHE A 49 2.421 2.771 -9.131 1.00 23.35 H new ATOM 0 HD2 PHE A 49 0.553 4.829 -5.903 1.00 11.22 H new ATOM 0 HE1 PHE A 49 0.297 1.652 -9.650 1.00 34.44 H new ATOM 0 HE2 PHE A 49 -1.572 3.712 -6.418 1.00 32.02 H new ATOM 0 HZ PHE A 49 -1.706 2.124 -8.295 1.00 73.42 H new ATOM 769 N GLU A 50 3.821 4.485 -4.029 1.00 3.34 N ATOM 770 CA GLU A 50 3.399 4.485 -2.633 1.00 55.41 C ATOM 771 C GLU A 50 2.450 5.647 -2.352 1.00 74.12 C ATOM 772 O GLU A 50 2.883 6.774 -2.115 1.00 44.41 O ATOM 773 CB GLU A 50 4.615 4.571 -1.709 1.00 12.04 C ATOM 774 CG GLU A 50 4.661 3.472 -0.660 1.00 12.40 C ATOM 775 CD GLU A 50 3.752 3.755 0.521 1.00 64.31 C ATOM 776 OE1 GLU A 50 2.919 4.679 0.421 1.00 11.14 O ATOM 777 OE2 GLU A 50 3.875 3.050 1.545 1.00 45.31 O ATOM 0 H GLU A 50 4.487 5.219 -4.268 1.00 3.34 H new ATOM 0 HA GLU A 50 2.871 3.551 -2.440 1.00 55.41 H new ATOM 0 HB2 GLU A 50 5.522 4.525 -2.311 1.00 12.04 H new ATOM 0 HB3 GLU A 50 4.613 5.539 -1.209 1.00 12.04 H new ATOM 0 HG2 GLU A 50 4.372 2.526 -1.118 1.00 12.40 H new ATOM 0 HG3 GLU A 50 5.685 3.355 -0.306 1.00 12.40 H new ATOM 784 N VAL A 51 1.151 5.363 -2.381 1.00 43.02 N ATOM 785 CA VAL A 51 0.140 6.383 -2.129 1.00 71.34 C ATOM 786 C VAL A 51 0.290 6.972 -0.731 1.00 75.42 C ATOM 787 O VAL A 51 0.342 6.241 0.258 1.00 51.33 O ATOM 788 CB VAL A 51 -1.283 5.813 -2.285 1.00 65.20 C ATOM 789 CG1 VAL A 51 -1.475 5.230 -3.677 1.00 12.12 C ATOM 790 CG2 VAL A 51 -1.556 4.765 -1.217 1.00 20.12 C ATOM 0 H VAL A 51 0.775 4.435 -2.576 1.00 43.02 H new ATOM 0 HA VAL A 51 0.292 7.169 -2.869 1.00 71.34 H new ATOM 0 HB VAL A 51 -1.998 6.626 -2.156 1.00 65.20 H new ATOM 0 HG11 VAL A 51 -2.486 4.832 -3.769 1.00 12.12 H new ATOM 0 HG12 VAL A 51 -1.323 6.011 -4.422 1.00 12.12 H new ATOM 0 HG13 VAL A 51 -0.754 4.429 -3.839 1.00 12.12 H new ATOM 0 HG21 VAL A 51 -2.565 4.373 -1.342 1.00 20.12 H new ATOM 0 HG22 VAL A 51 -0.836 3.952 -1.313 1.00 20.12 H new ATOM 0 HG23 VAL A 51 -1.462 5.218 -0.230 1.00 20.12 H new ATOM 800 N GLU A 52 0.357 8.297 -0.657 1.00 43.24 N ATOM 801 CA GLU A 52 0.501 8.984 0.621 1.00 42.12 C ATOM 802 C GLU A 52 -0.653 9.955 0.850 1.00 55.34 C ATOM 803 O GLU A 52 -1.331 10.384 -0.084 1.00 53.44 O ATOM 804 CB GLU A 52 1.833 9.736 0.674 1.00 53.12 C ATOM 805 CG GLU A 52 2.833 9.134 1.646 1.00 44.21 C ATOM 806 CD GLU A 52 3.532 10.184 2.488 1.00 24.30 C ATOM 807 OE1 GLU A 52 2.881 11.188 2.844 1.00 42.45 O ATOM 808 OE2 GLU A 52 4.730 10.001 2.791 1.00 32.13 O ATOM 0 H GLU A 52 0.314 8.916 -1.466 1.00 43.24 H new ATOM 0 HA GLU A 52 0.484 8.234 1.411 1.00 42.12 H new ATOM 0 HB2 GLU A 52 2.272 9.751 -0.323 1.00 53.12 H new ATOM 0 HB3 GLU A 52 1.645 10.772 0.955 1.00 53.12 H new ATOM 0 HG2 GLU A 52 2.319 8.431 2.301 1.00 44.21 H new ATOM 0 HG3 GLU A 52 3.578 8.565 1.090 1.00 44.21 H new ATOM 815 N PRO A 53 -0.884 10.310 2.122 1.00 10.33 N ATOM 816 CA PRO A 53 -1.956 11.234 2.505 1.00 50.24 C ATOM 817 C PRO A 53 -1.677 12.664 2.053 1.00 35.14 C ATOM 818 O PRO A 53 -2.079 13.071 0.964 1.00 33.22 O ATOM 819 CB PRO A 53 -1.970 11.149 4.033 1.00 64.21 C ATOM 820 CG PRO A 53 -0.588 10.729 4.401 1.00 35.21 C ATOM 821 CD PRO A 53 -0.116 9.838 3.286 1.00 24.41 C ATOM 0 HA PRO A 53 -2.907 10.970 2.042 1.00 50.24 H new ATOM 0 HB2 PRO A 53 -2.224 12.110 4.481 1.00 64.21 H new ATOM 0 HB3 PRO A 53 -2.709 10.428 4.383 1.00 64.21 H new ATOM 0 HG2 PRO A 53 0.066 11.594 4.513 1.00 35.21 H new ATOM 0 HG3 PRO A 53 -0.582 10.199 5.353 1.00 35.21 H new ATOM 0 HD2 PRO A 53 0.958 9.932 3.124 1.00 24.41 H new ATOM 0 HD3 PRO A 53 -0.315 8.788 3.499 1.00 24.41 H new ATOM 829 N GLY A 54 -0.986 13.423 2.899 1.00 71.53 N ATOM 830 CA GLY A 54 -0.666 14.799 2.568 1.00 25.22 C ATOM 831 C GLY A 54 0.490 14.907 1.593 1.00 73.22 C ATOM 832 O GLY A 54 1.498 15.550 1.884 1.00 64.22 O ATOM 0 H GLY A 54 -0.643 13.109 3.807 1.00 71.53 H new ATOM 0 HA2 GLY A 54 -1.545 15.280 2.139 1.00 25.22 H new ATOM 0 HA3 GLY A 54 -0.419 15.341 3.481 1.00 25.22 H new ATOM 836 N ARG A 55 0.344 14.275 0.433 1.00 73.12 N ATOM 837 CA ARG A 55 1.385 14.301 -0.587 1.00 72.45 C ATOM 838 C ARG A 55 0.803 14.672 -1.948 1.00 43.44 C ATOM 839 O ARG A 55 1.394 15.452 -2.695 1.00 74.31 O ATOM 840 CB ARG A 55 2.079 12.940 -0.672 1.00 43.11 C ATOM 841 CG ARG A 55 3.306 12.826 0.218 1.00 43.23 C ATOM 842 CD ARG A 55 4.426 13.740 -0.257 1.00 75.41 C ATOM 843 NE ARG A 55 5.558 12.987 -0.789 1.00 60.52 N ATOM 844 CZ ARG A 55 6.731 13.535 -1.086 1.00 21.25 C ATOM 845 NH1 ARG A 55 6.925 14.834 -0.902 1.00 72.43 N ATOM 846 NH2 ARG A 55 7.714 12.783 -1.566 1.00 13.42 N ATOM 0 H ARG A 55 -0.485 13.739 0.176 1.00 73.12 H new ATOM 0 HA ARG A 55 2.117 15.058 -0.305 1.00 72.45 H new ATOM 0 HB2 ARG A 55 1.368 12.161 -0.397 1.00 43.11 H new ATOM 0 HB3 ARG A 55 2.372 12.755 -1.705 1.00 43.11 H new ATOM 0 HG2 ARG A 55 3.038 13.080 1.244 1.00 43.23 H new ATOM 0 HG3 ARG A 55 3.656 11.794 0.226 1.00 43.23 H new ATOM 0 HD2 ARG A 55 4.044 14.412 -1.026 1.00 75.41 H new ATOM 0 HD3 ARG A 55 4.762 14.363 0.572 1.00 75.41 H new ATOM 0 HE ARG A 55 5.442 11.985 -0.941 1.00 60.52 H new ATOM 0 HH11 ARG A 55 6.173 15.415 -0.532 1.00 72.43 H new ATOM 0 HH12 ARG A 55 7.827 15.252 -1.131 1.00 72.43 H new ATOM 0 HH21 ARG A 55 7.569 11.783 -1.707 1.00 13.42 H new ATOM 0 HH22 ARG A 55 8.614 13.205 -1.794 1.00 13.42 H new ATOM 860 N GLY A 56 -0.359 14.108 -2.264 1.00 44.20 N ATOM 861 CA GLY A 56 -1.000 14.392 -3.534 1.00 71.25 C ATOM 862 C GLY A 56 -2.109 15.418 -3.408 1.00 20.52 C ATOM 863 O GLY A 56 -2.893 15.380 -2.461 1.00 13.42 O ATOM 0 H GLY A 56 -0.867 13.460 -1.663 1.00 44.20 H new ATOM 0 HA2 GLY A 56 -0.254 14.754 -4.241 1.00 71.25 H new ATOM 0 HA3 GLY A 56 -1.408 13.469 -3.946 1.00 71.25 H new ATOM 867 N GLY A 57 -2.174 16.338 -4.365 1.00 42.20 N ATOM 868 CA GLY A 57 -3.197 17.367 -4.337 1.00 30.03 C ATOM 869 C GLY A 57 -4.581 16.801 -4.086 1.00 40.45 C ATOM 870 O GLY A 57 -5.377 17.389 -3.354 1.00 54.22 O ATOM 0 H GLY A 57 -1.536 16.389 -5.160 1.00 42.20 H new ATOM 0 HA2 GLY A 57 -2.958 18.092 -3.559 1.00 30.03 H new ATOM 0 HA3 GLY A 57 -3.194 17.904 -5.285 1.00 30.03 H new ATOM 874 N LYS A 58 -4.870 15.657 -4.697 1.00 51.42 N ATOM 875 CA LYS A 58 -6.168 15.011 -4.538 1.00 45.21 C ATOM 876 C LYS A 58 -6.180 14.112 -3.306 1.00 71.01 C ATOM 877 O LYS A 58 -7.234 13.846 -2.731 1.00 33.05 O ATOM 878 CB LYS A 58 -6.508 14.191 -5.785 1.00 12.35 C ATOM 879 CG LYS A 58 -6.995 15.033 -6.952 1.00 21.43 C ATOM 880 CD LYS A 58 -8.308 15.726 -6.630 1.00 11.00 C ATOM 881 CE LYS A 58 -9.392 14.724 -6.263 1.00 10.23 C ATOM 882 NZ LYS A 58 -10.719 15.379 -6.096 1.00 10.03 N ATOM 0 H LYS A 58 -4.223 15.158 -5.307 1.00 51.42 H new ATOM 0 HA LYS A 58 -6.920 15.789 -4.406 1.00 45.21 H new ATOM 0 HB2 LYS A 58 -5.625 13.632 -6.094 1.00 12.35 H new ATOM 0 HB3 LYS A 58 -7.275 13.459 -5.531 1.00 12.35 H new ATOM 0 HG2 LYS A 58 -6.241 15.779 -7.203 1.00 21.43 H new ATOM 0 HG3 LYS A 58 -7.122 14.400 -7.830 1.00 21.43 H new ATOM 0 HD2 LYS A 58 -8.160 16.422 -5.805 1.00 11.00 H new ATOM 0 HD3 LYS A 58 -8.630 16.314 -7.489 1.00 11.00 H new ATOM 0 HE2 LYS A 58 -9.459 13.961 -7.038 1.00 10.23 H new ATOM 0 HE3 LYS A 58 -9.119 14.216 -5.338 1.00 10.23 H new ATOM 0 HZ1 LYS A 58 -11.431 14.663 -5.846 1.00 10.03 H new ATOM 0 HZ2 LYS A 58 -10.663 16.090 -5.339 1.00 10.03 H new ATOM 0 HZ3 LYS A 58 -10.992 15.842 -6.986 1.00 10.03 H new ATOM 896 N GLY A 59 -5.000 13.647 -2.906 1.00 12.53 N ATOM 897 CA GLY A 59 -4.898 12.784 -1.743 1.00 54.45 C ATOM 898 C GLY A 59 -3.776 11.774 -1.868 1.00 65.13 C ATOM 899 O GLY A 59 -2.627 12.044 -1.518 1.00 23.04 O ATOM 0 H GLY A 59 -4.113 13.852 -3.366 1.00 12.53 H new ATOM 0 HA2 GLY A 59 -4.736 13.394 -0.855 1.00 54.45 H new ATOM 0 HA3 GLY A 59 -5.842 12.258 -1.601 1.00 54.45 H new ATOM 903 N PRO A 60 -4.105 10.577 -2.378 1.00 2.54 N ATOM 904 CA PRO A 60 -3.129 9.498 -2.558 1.00 51.43 C ATOM 905 C PRO A 60 -2.126 9.803 -3.666 1.00 12.23 C ATOM 906 O PRO A 60 -2.487 9.870 -4.840 1.00 71.13 O ATOM 907 CB PRO A 60 -3.997 8.296 -2.939 1.00 24.15 C ATOM 908 CG PRO A 60 -5.223 8.889 -3.541 1.00 51.02 C ATOM 909 CD PRO A 60 -5.455 10.186 -2.817 1.00 2.23 C ATOM 0 HA PRO A 60 -2.526 9.340 -1.664 1.00 51.43 H new ATOM 0 HB2 PRO A 60 -3.483 7.646 -3.647 1.00 24.15 H new ATOM 0 HB3 PRO A 60 -4.238 7.690 -2.066 1.00 24.15 H new ATOM 0 HG2 PRO A 60 -5.091 9.057 -4.610 1.00 51.02 H new ATOM 0 HG3 PRO A 60 -6.076 8.220 -3.427 1.00 51.02 H new ATOM 0 HD2 PRO A 60 -5.899 10.937 -3.470 1.00 2.23 H new ATOM 0 HD3 PRO A 60 -6.132 10.059 -1.972 1.00 2.23 H new ATOM 917 N GLN A 61 -0.867 9.987 -3.283 1.00 63.40 N ATOM 918 CA GLN A 61 0.188 10.285 -4.245 1.00 72.50 C ATOM 919 C GLN A 61 1.253 9.193 -4.240 1.00 41.24 C ATOM 920 O GLN A 61 1.395 8.455 -3.266 1.00 74.43 O ATOM 921 CB GLN A 61 0.826 11.639 -3.931 1.00 24.53 C ATOM 922 CG GLN A 61 2.282 11.739 -4.358 1.00 73.24 C ATOM 923 CD GLN A 61 2.842 13.138 -4.198 1.00 0.21 C ATOM 924 OE1 GLN A 61 2.281 14.107 -4.711 1.00 33.21 O ATOM 925 NE2 GLN A 61 3.955 13.252 -3.483 1.00 1.12 N ATOM 0 H GLN A 61 -0.552 9.935 -2.314 1.00 63.40 H new ATOM 0 HA GLN A 61 -0.260 10.325 -5.238 1.00 72.50 H new ATOM 0 HB2 GLN A 61 0.256 12.424 -4.428 1.00 24.53 H new ATOM 0 HB3 GLN A 61 0.757 11.824 -2.859 1.00 24.53 H new ATOM 0 HG2 GLN A 61 2.878 11.043 -3.768 1.00 73.24 H new ATOM 0 HG3 GLN A 61 2.373 11.432 -5.400 1.00 73.24 H new ATOM 0 HE21 GLN A 61 4.387 12.422 -3.076 1.00 1.12 H new ATOM 0 HE22 GLN A 61 4.378 14.169 -3.341 1.00 1.12 H new ATOM 934 N ALA A 62 2.000 9.098 -5.336 1.00 30.55 N ATOM 935 CA ALA A 62 3.054 8.098 -5.457 1.00 35.43 C ATOM 936 C ALA A 62 4.300 8.517 -4.685 1.00 31.13 C ATOM 937 O ALA A 62 5.387 8.627 -5.252 1.00 70.31 O ATOM 938 CB ALA A 62 3.392 7.862 -6.921 1.00 51.34 C ATOM 0 H ALA A 62 1.895 9.701 -6.152 1.00 30.55 H new ATOM 0 HA ALA A 62 2.688 7.166 -5.025 1.00 35.43 H new ATOM 0 HB1 ALA A 62 4.180 7.113 -6.996 1.00 51.34 H new ATOM 0 HB2 ALA A 62 2.505 7.509 -7.447 1.00 51.34 H new ATOM 0 HB3 ALA A 62 3.733 8.795 -7.371 1.00 51.34 H new ATOM 944 N LYS A 63 4.135 8.751 -3.387 1.00 45.11 N ATOM 945 CA LYS A 63 5.247 9.158 -2.536 1.00 0.22 C ATOM 946 C LYS A 63 6.519 8.399 -2.901 1.00 53.23 C ATOM 947 O LYS A 63 7.599 8.983 -2.990 1.00 10.12 O ATOM 948 CB LYS A 63 4.903 8.919 -1.064 1.00 0.21 C ATOM 949 CG LYS A 63 6.090 9.076 -0.129 1.00 15.43 C ATOM 950 CD LYS A 63 6.740 7.738 0.176 1.00 23.34 C ATOM 951 CE LYS A 63 5.839 6.862 1.033 1.00 11.14 C ATOM 952 NZ LYS A 63 6.056 7.098 2.488 1.00 41.35 N ATOM 0 H LYS A 63 3.242 8.666 -2.902 1.00 45.11 H new ATOM 0 HA LYS A 63 5.422 10.222 -2.695 1.00 0.22 H new ATOM 0 HB2 LYS A 63 4.121 9.616 -0.765 1.00 0.21 H new ATOM 0 HB3 LYS A 63 4.494 7.915 -0.953 1.00 0.21 H new ATOM 0 HG2 LYS A 63 6.824 9.744 -0.580 1.00 15.43 H new ATOM 0 HG3 LYS A 63 5.763 9.543 0.800 1.00 15.43 H new ATOM 0 HD2 LYS A 63 6.969 7.223 -0.757 1.00 23.34 H new ATOM 0 HD3 LYS A 63 7.687 7.901 0.691 1.00 23.34 H new ATOM 0 HE2 LYS A 63 4.796 7.061 0.784 1.00 11.14 H new ATOM 0 HE3 LYS A 63 6.027 5.813 0.803 1.00 11.14 H new ATOM 0 HZ1 LYS A 63 5.540 6.381 3.037 1.00 41.35 H new ATOM 0 HZ2 LYS A 63 7.072 7.033 2.703 1.00 41.35 H new ATOM 0 HZ3 LYS A 63 5.709 8.045 2.742 1.00 41.35 H new ATOM 966 N LYS A 64 6.383 7.095 -3.114 1.00 61.30 N ATOM 967 CA LYS A 64 7.520 6.255 -3.473 1.00 0.30 C ATOM 968 C LYS A 64 7.233 5.465 -4.745 1.00 75.25 C ATOM 969 O LYS A 64 6.433 4.528 -4.739 1.00 44.43 O ATOM 970 CB LYS A 64 7.853 5.296 -2.328 1.00 65.13 C ATOM 971 CG LYS A 64 9.223 5.532 -1.716 1.00 43.21 C ATOM 972 CD LYS A 64 9.259 5.121 -0.254 1.00 20.42 C ATOM 973 CE LYS A 64 10.677 4.821 0.206 1.00 24.42 C ATOM 974 NZ LYS A 64 10.821 4.950 1.683 1.00 53.32 N ATOM 0 H LYS A 64 5.496 6.596 -3.044 1.00 61.30 H new ATOM 0 HA LYS A 64 8.376 6.904 -3.656 1.00 0.30 H new ATOM 0 HB2 LYS A 64 7.095 5.395 -1.551 1.00 65.13 H new ATOM 0 HB3 LYS A 64 7.800 4.271 -2.696 1.00 65.13 H new ATOM 0 HG2 LYS A 64 9.973 4.969 -2.272 1.00 43.21 H new ATOM 0 HG3 LYS A 64 9.486 6.586 -1.805 1.00 43.21 H new ATOM 0 HD2 LYS A 64 8.837 5.917 0.359 1.00 20.42 H new ATOM 0 HD3 LYS A 64 8.634 4.240 -0.107 1.00 20.42 H new ATOM 0 HE2 LYS A 64 10.951 3.811 -0.099 1.00 24.42 H new ATOM 0 HE3 LYS A 64 11.370 5.502 -0.287 1.00 24.42 H new ATOM 0 HZ1 LYS A 64 11.802 4.737 1.956 1.00 53.32 H new ATOM 0 HZ2 LYS A 64 10.584 5.921 1.971 1.00 53.32 H new ATOM 0 HZ3 LYS A 64 10.178 4.282 2.154 1.00 53.32 H new ATOM 988 N VAL A 65 7.890 5.847 -5.836 1.00 1.14 N ATOM 989 CA VAL A 65 7.707 5.172 -7.115 1.00 11.30 C ATOM 990 C VAL A 65 8.934 4.345 -7.481 1.00 21.14 C ATOM 991 O VAL A 65 10.068 4.760 -7.242 1.00 25.40 O ATOM 992 CB VAL A 65 7.425 6.180 -8.246 1.00 21.44 C ATOM 993 CG1 VAL A 65 8.354 5.933 -9.424 1.00 41.15 C ATOM 994 CG2 VAL A 65 5.969 6.100 -8.678 1.00 52.52 C ATOM 0 H VAL A 65 8.554 6.621 -5.859 1.00 1.14 H new ATOM 0 HA VAL A 65 6.847 4.511 -7.004 1.00 11.30 H new ATOM 0 HB VAL A 65 7.614 7.186 -7.870 1.00 21.44 H new ATOM 0 HG11 VAL A 65 8.141 6.654 -10.213 1.00 41.15 H new ATOM 0 HG12 VAL A 65 9.389 6.045 -9.101 1.00 41.15 H new ATOM 0 HG13 VAL A 65 8.199 4.923 -9.804 1.00 41.15 H new ATOM 0 HG21 VAL A 65 5.787 6.818 -9.477 1.00 52.52 H new ATOM 0 HG22 VAL A 65 5.751 5.094 -9.037 1.00 52.52 H new ATOM 0 HG23 VAL A 65 5.325 6.330 -7.830 1.00 52.52 H new ATOM 1004 N ARG A 66 8.699 3.173 -8.061 1.00 62.14 N ATOM 1005 CA ARG A 66 9.786 2.286 -8.460 1.00 13.22 C ATOM 1006 C ARG A 66 9.591 1.797 -9.892 1.00 10.01 C ATOM 1007 O ARG A 66 8.468 1.529 -10.319 1.00 61.44 O ATOM 1008 CB ARG A 66 9.872 1.091 -7.509 1.00 11.14 C ATOM 1009 CG ARG A 66 10.199 1.476 -6.075 1.00 14.10 C ATOM 1010 CD ARG A 66 11.060 0.422 -5.398 1.00 23.14 C ATOM 1011 NE ARG A 66 10.255 -0.609 -4.748 1.00 53.23 N ATOM 1012 CZ ARG A 66 10.749 -1.499 -3.895 1.00 10.20 C ATOM 1013 NH1 ARG A 66 12.039 -1.484 -3.589 1.00 40.33 N ATOM 1014 NH2 ARG A 66 9.952 -2.406 -3.345 1.00 21.10 N ATOM 0 H ARG A 66 7.766 2.815 -8.265 1.00 62.14 H new ATOM 0 HA ARG A 66 10.718 2.849 -8.411 1.00 13.22 H new ATOM 0 HB2 ARG A 66 8.923 0.556 -7.525 1.00 11.14 H new ATOM 0 HB3 ARG A 66 10.633 0.401 -7.874 1.00 11.14 H new ATOM 0 HG2 ARG A 66 10.719 2.434 -6.064 1.00 14.10 H new ATOM 0 HG3 ARG A 66 9.275 1.608 -5.513 1.00 14.10 H new ATOM 0 HD2 ARG A 66 11.714 -0.041 -6.137 1.00 23.14 H new ATOM 0 HD3 ARG A 66 11.703 0.900 -4.659 1.00 23.14 H new ATOM 0 HE ARG A 66 9.258 -0.648 -4.961 1.00 53.23 H new ATOM 0 HH11 ARG A 66 12.655 -0.788 -4.009 1.00 40.33 H new ATOM 0 HH12 ARG A 66 12.416 -2.169 -2.934 1.00 40.33 H new ATOM 0 HH21 ARG A 66 8.959 -2.420 -3.577 1.00 21.10 H new ATOM 0 HH22 ARG A 66 10.332 -3.089 -2.690 1.00 21.10 H new ATOM 1028 N ARG A 67 10.692 1.684 -10.628 1.00 53.20 N ATOM 1029 CA ARG A 67 10.642 1.229 -12.012 1.00 52.33 C ATOM 1030 C ARG A 67 10.510 -0.289 -12.081 1.00 62.41 C ATOM 1031 O ARG A 67 11.205 -1.015 -11.369 1.00 35.23 O ATOM 1032 CB ARG A 67 11.896 1.678 -12.764 1.00 62.33 C ATOM 1033 CG ARG A 67 11.976 1.148 -14.187 1.00 32.44 C ATOM 1034 CD ARG A 67 13.145 1.758 -14.944 1.00 31.41 C ATOM 1035 NE ARG A 67 13.564 0.924 -16.067 1.00 40.04 N ATOM 1036 CZ ARG A 67 14.308 -0.169 -15.935 1.00 14.34 C ATOM 1037 NH1 ARG A 67 14.711 -0.558 -14.733 1.00 44.21 N ATOM 1038 NH2 ARG A 67 14.648 -0.875 -17.005 1.00 23.00 N ATOM 0 H ARG A 67 11.629 1.901 -10.289 1.00 53.20 H new ATOM 0 HA ARG A 67 9.765 1.674 -12.483 1.00 52.33 H new ATOM 0 HB2 ARG A 67 11.924 2.767 -12.789 1.00 62.33 H new ATOM 0 HB3 ARG A 67 12.777 1.349 -12.213 1.00 62.33 H new ATOM 0 HG2 ARG A 67 12.080 0.063 -14.167 1.00 32.44 H new ATOM 0 HG3 ARG A 67 11.046 1.369 -14.712 1.00 32.44 H new ATOM 0 HD2 ARG A 67 12.864 2.745 -15.311 1.00 31.41 H new ATOM 0 HD3 ARG A 67 13.985 1.898 -14.263 1.00 31.41 H new ATOM 0 HE ARG A 67 13.269 1.196 -17.005 1.00 40.04 H new ATOM 0 HH11 ARG A 67 14.450 -0.018 -13.908 1.00 44.21 H new ATOM 0 HH12 ARG A 67 15.282 -1.397 -14.633 1.00 44.21 H new ATOM 0 HH21 ARG A 67 14.338 -0.579 -17.931 1.00 23.00 H new ATOM 0 HH22 ARG A 67 15.219 -1.714 -16.902 1.00 23.00 H new ATOM 1052 N ILE A 68 9.615 -0.762 -12.942 1.00 64.00 N ATOM 1053 CA ILE A 68 9.394 -2.194 -13.104 1.00 14.42 C ATOM 1054 C ILE A 68 9.183 -2.555 -14.570 1.00 53.01 C ATOM 1055 O ILE A 68 8.126 -2.285 -15.141 1.00 61.24 O ATOM 1056 CB ILE A 68 8.177 -2.670 -12.289 1.00 73.30 C ATOM 1057 CG1 ILE A 68 8.195 -2.048 -10.892 1.00 4.45 C ATOM 1058 CG2 ILE A 68 8.162 -4.189 -12.198 1.00 42.10 C ATOM 1059 CD1 ILE A 68 9.251 -2.636 -9.982 1.00 43.20 C ATOM 0 H ILE A 68 9.031 -0.175 -13.538 1.00 64.00 H new ATOM 0 HA ILE A 68 10.288 -2.696 -12.734 1.00 14.42 H new ATOM 0 HB ILE A 68 7.269 -2.346 -12.798 1.00 73.30 H new ATOM 0 HG12 ILE A 68 8.362 -0.975 -10.983 1.00 4.45 H new ATOM 0 HG13 ILE A 68 7.216 -2.180 -10.432 1.00 4.45 H new ATOM 0 HG21 ILE A 68 7.296 -4.510 -11.619 1.00 42.10 H new ATOM 0 HG22 ILE A 68 8.106 -4.613 -13.201 1.00 42.10 H new ATOM 0 HG23 ILE A 68 9.073 -4.533 -11.709 1.00 42.10 H new ATOM 0 HD11 ILE A 68 9.206 -2.147 -9.009 1.00 43.20 H new ATOM 0 HD12 ILE A 68 9.073 -3.704 -9.860 1.00 43.20 H new ATOM 0 HD13 ILE A 68 10.237 -2.480 -10.420 1.00 43.20 H new TER 1071 ILE A 68