USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 622 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 9 TYR OH : rot -134:sc= -0.0973 USER MOD Set 1.2: A 42 GLN : amide:sc= -0.912 K(o=-0.72,f=-4.9!) USER MOD Set 1.3: A 44 THR OG1 : rot 180:sc= 0.289 USER MOD Set 2.1: A 3 GLN : amide:sc= 0.318 K(o=0.55,f=-1.4) USER MOD Set 2.2: A 74 THR OG1 : rot 163:sc= 0.234 USER MOD Single : A 5 GLN : amide:sc= -1.73! C(o=-1.7!,f=-5.2!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -120:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.52) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.012) USER MOD Single : A 47 SER OG : rot 63:sc= 0.506 USER MOD Single : A 48 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.007) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0.00987 X(o=0.0099,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 77:sc= -0.968 USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 3 1.773 8.021 -13.026 1.00 2.35 N ATOM 28 CA GLN A 3 1.147 6.770 -12.534 1.00 72.21 C ATOM 29 C GLN A 3 1.543 6.541 -11.067 1.00 62.32 C ATOM 30 O GLN A 3 2.727 6.395 -10.764 1.00 44.35 O ATOM 31 CB GLN A 3 1.596 5.571 -13.417 1.00 63.13 C ATOM 32 CG GLN A 3 1.190 4.165 -12.896 1.00 71.51 C ATOM 33 CD GLN A 3 1.749 3.004 -13.737 1.00 32.00 C ATOM 34 OE1 GLN A 3 2.801 3.113 -14.366 1.00 70.01 O ATOM 35 NE2 GLN A 3 1.061 1.880 -13.738 1.00 34.30 N ATOM 0 HA GLN A 3 0.062 6.855 -12.596 1.00 72.21 H new ATOM 0 HB2 GLN A 3 1.180 5.703 -14.416 1.00 63.13 H new ATOM 0 HB3 GLN A 3 2.681 5.603 -13.517 1.00 63.13 H new ATOM 0 HG2 GLN A 3 1.535 4.055 -11.868 1.00 71.51 H new ATOM 0 HG3 GLN A 3 0.102 4.096 -12.876 1.00 71.51 H new ATOM 0 HE21 GLN A 3 0.192 1.814 -13.209 1.00 34.30 H new ATOM 0 HE22 GLN A 3 1.398 1.076 -14.268 1.00 34.30 H new ATOM 44 N TRP A 4 0.545 6.481 -10.176 1.00 71.42 N ATOM 45 CA TRP A 4 0.762 6.432 -8.718 1.00 13.10 C ATOM 46 C TRP A 4 0.778 4.988 -8.188 1.00 42.43 C ATOM 47 O TRP A 4 -0.135 4.192 -8.476 1.00 54.20 O ATOM 48 CB TRP A 4 -0.323 7.260 -8.008 1.00 4.31 C ATOM 49 CG TRP A 4 -0.313 8.713 -8.421 1.00 44.42 C ATOM 50 CD1 TRP A 4 0.615 9.655 -8.074 1.00 55.00 C ATOM 51 CD2 TRP A 4 -1.265 9.381 -9.258 1.00 13.31 C ATOM 52 NE1 TRP A 4 0.307 10.854 -8.658 1.00 32.13 N ATOM 53 CE2 TRP A 4 -0.842 10.714 -9.385 1.00 1.41 C ATOM 54 CE3 TRP A 4 -2.428 8.979 -9.917 1.00 43.24 C ATOM 55 CZ2 TRP A 4 -1.539 11.649 -10.138 1.00 42.03 C ATOM 56 CZ3 TRP A 4 -3.122 9.908 -10.667 1.00 42.04 C ATOM 57 CH2 TRP A 4 -2.675 11.230 -10.771 1.00 72.22 C ATOM 0 H TRP A 4 -0.439 6.465 -10.443 1.00 71.42 H new ATOM 0 HA TRP A 4 1.742 6.859 -8.506 1.00 13.10 H new ATOM 0 HB2 TRP A 4 -1.301 6.832 -8.226 1.00 4.31 H new ATOM 0 HB3 TRP A 4 -0.178 7.192 -6.930 1.00 4.31 H new ATOM 0 HD1 TRP A 4 1.466 9.479 -7.433 1.00 55.00 H new ATOM 0 HE1 TRP A 4 0.848 11.714 -8.566 1.00 32.13 H new ATOM 0 HE3 TRP A 4 -2.779 7.960 -9.842 1.00 43.24 H new ATOM 0 HZ2 TRP A 4 -1.196 12.670 -10.220 1.00 42.03 H new ATOM 0 HZ3 TRP A 4 -4.024 9.610 -11.181 1.00 42.04 H new ATOM 0 HH2 TRP A 4 -3.240 11.934 -11.364 1.00 72.22 H new ATOM 68 N GLN A 5 1.827 4.676 -7.403 1.00 63.33 N ATOM 69 CA GLN A 5 2.106 3.329 -6.892 1.00 32.42 C ATOM 70 C GLN A 5 2.729 3.402 -5.472 1.00 64.22 C ATOM 71 O GLN A 5 3.791 4.008 -5.288 1.00 54.41 O ATOM 72 CB GLN A 5 3.045 2.621 -7.898 1.00 4.34 C ATOM 73 CG GLN A 5 3.539 1.228 -7.486 1.00 70.32 C ATOM 74 CD GLN A 5 4.416 0.599 -8.569 1.00 23.20 C ATOM 75 OE1 GLN A 5 3.945 -0.166 -9.407 1.00 25.01 O ATOM 76 NE2 GLN A 5 5.674 0.980 -8.598 1.00 23.23 N ATOM 0 H GLN A 5 2.514 5.368 -7.104 1.00 63.33 H new ATOM 0 HA GLN A 5 1.183 2.757 -6.798 1.00 32.42 H new ATOM 0 HB2 GLN A 5 2.525 2.534 -8.852 1.00 4.34 H new ATOM 0 HB3 GLN A 5 3.913 3.258 -8.066 1.00 4.34 H new ATOM 0 HG2 GLN A 5 4.104 1.302 -6.557 1.00 70.32 H new ATOM 0 HG3 GLN A 5 2.684 0.582 -7.289 1.00 70.32 H new ATOM 0 HE21 GLN A 5 6.031 1.617 -7.885 1.00 23.23 H new ATOM 0 HE22 GLN A 5 6.293 0.639 -9.333 1.00 23.23 H new ATOM 85 N ILE A 6 2.060 2.787 -4.478 1.00 75.54 N ATOM 86 CA ILE A 6 2.501 2.769 -3.065 1.00 15.43 C ATOM 87 C ILE A 6 3.198 1.424 -2.768 1.00 42.24 C ATOM 88 O ILE A 6 2.532 0.392 -2.701 1.00 2.21 O ATOM 89 CB ILE A 6 1.252 2.932 -2.101 1.00 13.33 C ATOM 90 CG1 ILE A 6 0.377 4.156 -2.513 1.00 24.21 C ATOM 91 CG2 ILE A 6 1.670 3.047 -0.608 1.00 32.53 C ATOM 92 CD1 ILE A 6 -1.013 4.145 -1.907 1.00 33.25 C ATOM 0 H ILE A 6 1.187 2.282 -4.633 1.00 75.54 H new ATOM 0 HA ILE A 6 3.193 3.594 -2.897 1.00 15.43 H new ATOM 0 HB ILE A 6 0.657 2.025 -2.207 1.00 13.33 H new ATOM 0 HG12 ILE A 6 0.886 5.072 -2.214 1.00 24.21 H new ATOM 0 HG13 ILE A 6 0.290 4.179 -3.599 1.00 24.21 H new ATOM 0 HG21 ILE A 6 0.780 3.157 0.012 1.00 32.53 H new ATOM 0 HG22 ILE A 6 2.210 2.148 -0.311 1.00 32.53 H new ATOM 0 HG23 ILE A 6 2.313 3.917 -0.476 1.00 32.53 H new ATOM 0 HD11 ILE A 6 -1.562 5.027 -2.239 1.00 33.25 H new ATOM 0 HD12 ILE A 6 -1.542 3.247 -2.226 1.00 33.25 H new ATOM 0 HD13 ILE A 6 -0.936 4.154 -0.820 1.00 33.25 H new ATOM 104 N LYS A 7 4.531 1.425 -2.608 1.00 72.32 N ATOM 105 CA LYS A 7 5.282 0.215 -2.215 1.00 54.10 C ATOM 106 C LYS A 7 5.506 0.232 -0.692 1.00 43.22 C ATOM 107 O LYS A 7 6.226 1.090 -0.173 1.00 2.14 O ATOM 108 CB LYS A 7 6.630 0.133 -2.974 1.00 33.14 C ATOM 109 CG LYS A 7 6.507 -0.104 -4.496 1.00 71.12 C ATOM 110 CD LYS A 7 7.895 -0.208 -5.170 1.00 61.41 C ATOM 111 CE LYS A 7 7.819 -0.551 -6.665 1.00 32.23 C ATOM 112 NZ LYS A 7 9.170 -0.569 -7.294 1.00 44.23 N ATOM 0 H LYS A 7 5.115 2.250 -2.744 1.00 72.32 H new ATOM 0 HA LYS A 7 4.704 -0.670 -2.481 1.00 54.10 H new ATOM 0 HB2 LYS A 7 7.180 1.059 -2.809 1.00 33.14 H new ATOM 0 HB3 LYS A 7 7.225 -0.672 -2.543 1.00 33.14 H new ATOM 0 HG2 LYS A 7 5.944 -1.019 -4.678 1.00 71.12 H new ATOM 0 HG3 LYS A 7 5.943 0.712 -4.947 1.00 71.12 H new ATOM 0 HD2 LYS A 7 8.423 0.738 -5.048 1.00 61.41 H new ATOM 0 HD3 LYS A 7 8.484 -0.970 -4.659 1.00 61.41 H new ATOM 0 HE2 LYS A 7 7.345 -1.524 -6.792 1.00 32.23 H new ATOM 0 HE3 LYS A 7 7.190 0.179 -7.175 1.00 32.23 H new ATOM 0 HZ1 LYS A 7 9.080 -0.804 -8.303 1.00 44.23 H new ATOM 0 HZ2 LYS A 7 9.612 0.367 -7.195 1.00 44.23 H new ATOM 0 HZ3 LYS A 7 9.762 -1.283 -6.824 1.00 44.23 H new ATOM 126 N ILE A 8 4.861 -0.708 0.008 1.00 34.05 N ATOM 127 CA ILE A 8 4.874 -0.781 1.477 1.00 52.25 C ATOM 128 C ILE A 8 5.898 -1.839 1.916 1.00 30.43 C ATOM 129 O ILE A 8 5.612 -3.029 1.845 1.00 42.35 O ATOM 130 CB ILE A 8 3.440 -1.205 1.993 1.00 12.13 C ATOM 131 CG1 ILE A 8 2.326 -0.322 1.339 1.00 14.33 C ATOM 132 CG2 ILE A 8 3.358 -1.171 3.543 1.00 62.43 C ATOM 133 CD1 ILE A 8 0.916 -0.844 1.541 1.00 0.20 C ATOM 0 H ILE A 8 4.310 -1.446 -0.431 1.00 34.05 H new ATOM 0 HA ILE A 8 5.141 0.191 1.892 1.00 52.25 H new ATOM 0 HB ILE A 8 3.269 -2.237 1.686 1.00 12.13 H new ATOM 0 HG12 ILE A 8 2.390 0.686 1.749 1.00 14.33 H new ATOM 0 HG13 ILE A 8 2.522 -0.244 0.270 1.00 14.33 H new ATOM 0 HG21 ILE A 8 2.359 -1.468 3.861 1.00 62.43 H new ATOM 0 HG22 ILE A 8 4.092 -1.860 3.961 1.00 62.43 H new ATOM 0 HG23 ILE A 8 3.566 -0.161 3.896 1.00 62.43 H new ATOM 0 HD11 ILE A 8 0.207 -0.173 1.056 1.00 0.20 H new ATOM 0 HD12 ILE A 8 0.830 -1.839 1.105 1.00 0.20 H new ATOM 0 HD13 ILE A 8 0.696 -0.895 2.607 1.00 0.20 H new ATOM 145 N TYR A 9 7.072 -1.408 2.385 1.00 54.33 N ATOM 146 CA TYR A 9 8.129 -2.329 2.842 1.00 10.43 C ATOM 147 C TYR A 9 8.023 -2.487 4.356 1.00 73.34 C ATOM 148 O TYR A 9 8.396 -1.583 5.106 1.00 42.35 O ATOM 149 CB TYR A 9 9.527 -1.783 2.458 1.00 21.30 C ATOM 150 CG TYR A 9 9.766 -1.684 0.945 1.00 23.33 C ATOM 151 CD1 TYR A 9 9.378 -0.553 0.224 1.00 54.20 C ATOM 152 CD2 TYR A 9 10.364 -2.728 0.241 1.00 32.12 C ATOM 153 CE1 TYR A 9 9.571 -0.473 -1.137 1.00 13.14 C ATOM 154 CE2 TYR A 9 10.562 -2.644 -1.116 1.00 13.11 C ATOM 155 CZ TYR A 9 10.165 -1.518 -1.800 1.00 54.21 C ATOM 156 OH TYR A 9 10.352 -1.443 -3.152 1.00 20.52 O ATOM 0 H TYR A 9 7.320 -0.422 2.460 1.00 54.33 H new ATOM 0 HA TYR A 9 8.000 -3.298 2.360 1.00 10.43 H new ATOM 0 HB2 TYR A 9 9.654 -0.795 2.901 1.00 21.30 H new ATOM 0 HB3 TYR A 9 10.290 -2.428 2.894 1.00 21.30 H new ATOM 0 HD1 TYR A 9 8.918 0.275 0.744 1.00 54.20 H new ATOM 0 HD2 TYR A 9 10.676 -3.616 0.770 1.00 32.12 H new ATOM 0 HE1 TYR A 9 9.257 0.406 -1.680 1.00 13.14 H new ATOM 0 HE2 TYR A 9 11.029 -3.461 -1.646 1.00 13.11 H new ATOM 0 HH TYR A 9 10.074 -2.286 -3.568 1.00 20.52 H new ATOM 166 N SER A 10 7.525 -3.640 4.797 1.00 34.23 N ATOM 167 CA SER A 10 7.341 -3.932 6.216 1.00 52.41 C ATOM 168 C SER A 10 7.707 -5.395 6.480 1.00 42.42 C ATOM 169 O SER A 10 7.716 -6.228 5.565 1.00 45.14 O ATOM 170 CB SER A 10 5.883 -3.619 6.642 1.00 11.23 C ATOM 171 OG SER A 10 5.675 -3.841 8.030 1.00 33.44 O ATOM 0 H SER A 10 7.237 -4.399 4.179 1.00 34.23 H new ATOM 0 HA SER A 10 7.997 -3.300 6.815 1.00 52.41 H new ATOM 0 HB2 SER A 10 5.650 -2.582 6.402 1.00 11.23 H new ATOM 0 HB3 SER A 10 5.196 -4.241 6.068 1.00 11.23 H new ATOM 0 HG SER A 10 4.978 -4.519 8.152 1.00 33.44 H new ATOM 177 N GLU A 11 8.013 -5.687 7.740 1.00 10.24 N ATOM 178 CA GLU A 11 8.430 -7.020 8.194 1.00 63.42 C ATOM 179 C GLU A 11 7.216 -7.770 8.772 1.00 44.42 C ATOM 180 O GLU A 11 6.962 -8.930 8.432 1.00 42.31 O ATOM 181 CB GLU A 11 9.550 -6.839 9.263 1.00 21.40 C ATOM 182 CG GLU A 11 10.104 -8.134 9.876 1.00 35.53 C ATOM 183 CD GLU A 11 11.144 -7.876 10.984 1.00 72.44 C ATOM 184 OE1 GLU A 11 10.744 -7.516 12.114 1.00 2.45 O ATOM 185 OE2 GLU A 11 12.361 -8.002 10.727 1.00 4.32 O ATOM 0 H GLU A 11 7.979 -4.997 8.490 1.00 10.24 H new ATOM 0 HA GLU A 11 8.820 -7.611 7.365 1.00 63.42 H new ATOM 0 HB2 GLU A 11 10.376 -6.292 8.808 1.00 21.40 H new ATOM 0 HB3 GLU A 11 9.161 -6.216 10.068 1.00 21.40 H new ATOM 0 HG2 GLU A 11 9.280 -8.717 10.287 1.00 35.53 H new ATOM 0 HG3 GLU A 11 10.560 -8.736 9.090 1.00 35.53 H new ATOM 192 N ASN A 12 6.456 -7.067 9.632 1.00 1.23 N ATOM 193 CA ASN A 12 5.290 -7.628 10.336 1.00 74.34 C ATOM 194 C ASN A 12 4.103 -7.806 9.372 1.00 75.14 C ATOM 195 O ASN A 12 3.678 -6.845 8.721 1.00 4.34 O ATOM 196 CB ASN A 12 4.908 -6.716 11.539 1.00 52.04 C ATOM 197 CG ASN A 12 3.711 -7.226 12.355 1.00 63.31 C ATOM 198 OD1 ASN A 12 3.440 -8.423 12.413 1.00 64.34 O ATOM 199 ND2 ASN A 12 2.989 -6.322 12.995 1.00 73.54 N ATOM 0 H ASN A 12 6.635 -6.089 9.859 1.00 1.23 H new ATOM 0 HA ASN A 12 5.551 -8.614 10.720 1.00 74.34 H new ATOM 0 HB2 ASN A 12 5.771 -6.622 12.199 1.00 52.04 H new ATOM 0 HB3 ASN A 12 4.681 -5.717 11.167 1.00 52.04 H new ATOM 0 HD21 ASN A 12 2.186 -6.612 13.553 1.00 73.54 H new ATOM 0 HD22 ASN A 12 3.235 -5.334 12.931 1.00 73.54 H new ATOM 206 N GLU A 13 3.574 -9.052 9.302 1.00 31.20 N ATOM 207 CA GLU A 13 2.462 -9.400 8.396 1.00 51.31 C ATOM 208 C GLU A 13 1.178 -8.646 8.751 1.00 31.13 C ATOM 209 O GLU A 13 0.402 -8.322 7.862 1.00 31.33 O ATOM 210 CB GLU A 13 2.171 -10.928 8.387 1.00 4.40 C ATOM 211 CG GLU A 13 1.699 -11.512 9.730 1.00 51.15 C ATOM 212 CD GLU A 13 1.109 -12.920 9.595 1.00 62.44 C ATOM 213 OE1 GLU A 13 0.012 -13.050 9.010 1.00 75.13 O ATOM 214 OE2 GLU A 13 1.717 -13.897 10.079 1.00 72.15 O ATOM 0 H GLU A 13 3.905 -9.834 9.867 1.00 31.20 H new ATOM 0 HA GLU A 13 2.785 -9.099 7.400 1.00 51.31 H new ATOM 0 HB2 GLU A 13 1.411 -11.133 7.633 1.00 4.40 H new ATOM 0 HB3 GLU A 13 3.076 -11.452 8.079 1.00 4.40 H new ATOM 0 HG2 GLU A 13 2.540 -11.541 10.423 1.00 51.15 H new ATOM 0 HG3 GLU A 13 0.950 -10.850 10.165 1.00 51.15 H new ATOM 221 N ARG A 14 0.981 -8.353 10.056 1.00 21.03 N ATOM 222 CA ARG A 14 -0.248 -7.707 10.551 1.00 40.44 C ATOM 223 C ARG A 14 -0.423 -6.294 9.961 1.00 62.24 C ATOM 224 O ARG A 14 -1.550 -5.821 9.772 1.00 32.02 O ATOM 225 CB ARG A 14 -0.260 -7.675 12.098 1.00 61.20 C ATOM 226 CG ARG A 14 -1.563 -7.111 12.720 1.00 11.52 C ATOM 227 CD ARG A 14 -2.820 -7.943 12.369 1.00 53.22 C ATOM 228 NE ARG A 14 -4.068 -7.249 12.742 1.00 40.32 N ATOM 229 CZ ARG A 14 -5.302 -7.793 12.739 1.00 62.03 C ATOM 230 NH1 ARG A 14 -5.496 -9.067 12.379 1.00 0.12 N ATOM 231 NH2 ARG A 14 -6.345 -7.043 13.084 1.00 0.43 N ATOM 0 H ARG A 14 1.664 -8.556 10.786 1.00 21.03 H new ATOM 0 HA ARG A 14 -1.097 -8.302 10.216 1.00 40.44 H new ATOM 0 HB2 ARG A 14 -0.103 -8.687 12.471 1.00 61.20 H new ATOM 0 HB3 ARG A 14 0.582 -7.074 12.443 1.00 61.20 H new ATOM 0 HG2 ARG A 14 -1.453 -7.072 13.804 1.00 11.52 H new ATOM 0 HG3 ARG A 14 -1.707 -6.086 12.377 1.00 11.52 H new ATOM 0 HD2 ARG A 14 -2.828 -8.153 11.299 1.00 53.22 H new ATOM 0 HD3 ARG A 14 -2.773 -8.904 12.882 1.00 53.22 H new ATOM 0 HE ARG A 14 -3.990 -6.273 13.027 1.00 40.32 H new ATOM 0 HH11 ARG A 14 -4.703 -9.645 12.100 1.00 0.12 H new ATOM 0 HH12 ARG A 14 -6.437 -9.461 12.383 1.00 0.12 H new ATOM 0 HH21 ARG A 14 -6.207 -6.067 13.347 1.00 0.43 H new ATOM 0 HH22 ARG A 14 -7.283 -7.444 13.085 1.00 0.43 H new ATOM 245 N GLU A 15 0.704 -5.657 9.628 1.00 42.43 N ATOM 246 CA GLU A 15 0.719 -4.323 9.002 1.00 75.03 C ATOM 247 C GLU A 15 0.141 -4.397 7.584 1.00 53.13 C ATOM 248 O GLU A 15 -0.569 -3.489 7.142 1.00 1.43 O ATOM 249 CB GLU A 15 2.160 -3.770 8.986 1.00 71.20 C ATOM 250 CG GLU A 15 2.904 -3.889 10.334 1.00 60.23 C ATOM 251 CD GLU A 15 2.142 -3.306 11.544 1.00 74.42 C ATOM 252 OE1 GLU A 15 2.305 -2.112 11.852 1.00 2.33 O ATOM 253 OE2 GLU A 15 1.385 -4.049 12.212 1.00 22.33 O ATOM 0 H GLU A 15 1.633 -6.048 9.783 1.00 42.43 H new ATOM 0 HA GLU A 15 0.096 -3.644 9.584 1.00 75.03 H new ATOM 0 HB2 GLU A 15 2.730 -4.298 8.222 1.00 71.20 H new ATOM 0 HB3 GLU A 15 2.130 -2.721 8.693 1.00 71.20 H new ATOM 0 HG2 GLU A 15 3.114 -4.941 10.526 1.00 60.23 H new ATOM 0 HG3 GLU A 15 3.866 -3.383 10.249 1.00 60.23 H new ATOM 260 N PHE A 16 0.465 -5.501 6.885 1.00 41.10 N ATOM 261 CA PHE A 16 -0.118 -5.813 5.570 1.00 50.01 C ATOM 262 C PHE A 16 -1.595 -6.187 5.727 1.00 31.32 C ATOM 263 O PHE A 16 -2.417 -5.750 4.933 1.00 70.21 O ATOM 264 CB PHE A 16 0.647 -6.968 4.878 1.00 70.51 C ATOM 265 CG PHE A 16 2.111 -6.648 4.588 1.00 30.32 C ATOM 266 CD1 PHE A 16 2.480 -6.027 3.399 1.00 54.11 C ATOM 267 CD2 PHE A 16 3.112 -6.940 5.510 1.00 22.30 C ATOM 268 CE1 PHE A 16 3.799 -5.715 3.135 1.00 73.23 C ATOM 269 CE2 PHE A 16 4.429 -6.633 5.244 1.00 34.10 C ATOM 270 CZ PHE A 16 4.770 -6.013 4.056 1.00 1.23 C ATOM 0 H PHE A 16 1.134 -6.197 7.215 1.00 41.10 H new ATOM 0 HA PHE A 16 -0.033 -4.925 4.943 1.00 50.01 H new ATOM 0 HB2 PHE A 16 0.596 -7.855 5.510 1.00 70.51 H new ATOM 0 HB3 PHE A 16 0.146 -7.214 3.942 1.00 70.51 H new ATOM 0 HD1 PHE A 16 1.721 -5.785 2.670 1.00 54.11 H new ATOM 0 HD2 PHE A 16 2.853 -7.413 6.446 1.00 22.30 H new ATOM 0 HE1 PHE A 16 4.065 -5.237 2.204 1.00 73.23 H new ATOM 0 HE2 PHE A 16 5.196 -6.877 5.964 1.00 34.10 H new ATOM 0 HZ PHE A 16 5.801 -5.764 3.854 1.00 1.23 H new ATOM 280 N ARG A 17 -1.909 -6.982 6.783 1.00 41.24 N ATOM 281 CA ARG A 17 -3.276 -7.486 7.053 1.00 24.43 C ATOM 282 C ARG A 17 -4.275 -6.332 7.165 1.00 41.33 C ATOM 283 O ARG A 17 -5.404 -6.442 6.674 1.00 41.24 O ATOM 284 CB ARG A 17 -3.334 -8.343 8.350 1.00 63.31 C ATOM 285 CG ARG A 17 -2.504 -9.646 8.326 1.00 63.14 C ATOM 286 CD ARG A 17 -2.908 -10.607 7.198 1.00 62.45 C ATOM 287 NE ARG A 17 -2.158 -11.866 7.250 1.00 21.15 N ATOM 288 CZ ARG A 17 -2.486 -12.987 6.595 1.00 2.03 C ATOM 289 NH1 ARG A 17 -3.563 -13.042 5.809 1.00 14.40 N ATOM 290 NH2 ARG A 17 -1.743 -14.063 6.756 1.00 4.45 N ATOM 0 H ARG A 17 -1.220 -7.290 7.469 1.00 41.24 H new ATOM 0 HA ARG A 17 -3.547 -8.119 6.208 1.00 24.43 H new ATOM 0 HB2 ARG A 17 -2.992 -7.731 9.184 1.00 63.31 H new ATOM 0 HB3 ARG A 17 -4.375 -8.600 8.548 1.00 63.31 H new ATOM 0 HG2 ARG A 17 -1.449 -9.394 8.218 1.00 63.14 H new ATOM 0 HG3 ARG A 17 -2.613 -10.155 9.283 1.00 63.14 H new ATOM 0 HD2 ARG A 17 -3.975 -10.818 7.267 1.00 62.45 H new ATOM 0 HD3 ARG A 17 -2.740 -10.125 6.235 1.00 62.45 H new ATOM 0 HE ARG A 17 -1.320 -11.890 7.831 1.00 21.15 H new ATOM 0 HH11 ARG A 17 -4.156 -12.219 5.698 1.00 14.40 H new ATOM 0 HH12 ARG A 17 -3.794 -13.907 5.320 1.00 14.40 H new ATOM 0 HH21 ARG A 17 -0.931 -14.034 7.373 1.00 4.45 H new ATOM 0 HH22 ARG A 17 -1.980 -14.925 6.264 1.00 4.45 H new ATOM 304 N GLU A 18 -3.837 -5.224 7.795 1.00 32.45 N ATOM 305 CA GLU A 18 -4.632 -3.989 7.896 1.00 14.11 C ATOM 306 C GLU A 18 -5.064 -3.513 6.508 1.00 75.14 C ATOM 307 O GLU A 18 -6.263 -3.374 6.228 1.00 63.12 O ATOM 308 CB GLU A 18 -3.828 -2.873 8.607 1.00 71.42 C ATOM 309 CG GLU A 18 -3.493 -3.173 10.073 1.00 53.42 C ATOM 310 CD GLU A 18 -4.729 -3.518 10.923 1.00 23.51 C ATOM 311 OE1 GLU A 18 -5.579 -2.629 11.150 1.00 40.42 O ATOM 312 OE2 GLU A 18 -4.859 -4.680 11.372 1.00 24.04 O ATOM 0 H GLU A 18 -2.924 -5.162 8.246 1.00 32.45 H new ATOM 0 HA GLU A 18 -5.521 -4.210 8.487 1.00 14.11 H new ATOM 0 HB2 GLU A 18 -2.899 -2.706 8.061 1.00 71.42 H new ATOM 0 HB3 GLU A 18 -4.397 -1.945 8.559 1.00 71.42 H new ATOM 0 HG2 GLU A 18 -2.789 -4.004 10.115 1.00 53.42 H new ATOM 0 HG3 GLU A 18 -2.992 -2.308 10.508 1.00 53.42 H new ATOM 319 N LEU A 19 -4.065 -3.324 5.631 1.00 23.10 N ATOM 320 CA LEU A 19 -4.291 -2.863 4.255 1.00 32.03 C ATOM 321 C LEU A 19 -5.112 -3.893 3.452 1.00 22.11 C ATOM 322 O LEU A 19 -5.993 -3.506 2.709 1.00 62.42 O ATOM 323 CB LEU A 19 -2.948 -2.521 3.536 1.00 12.45 C ATOM 324 CG LEU A 19 -2.299 -1.134 3.898 1.00 62.12 C ATOM 325 CD1 LEU A 19 -3.256 0.046 3.563 1.00 73.21 C ATOM 326 CD2 LEU A 19 -1.816 -1.080 5.373 1.00 34.31 C ATOM 0 H LEU A 19 -3.083 -3.486 5.856 1.00 23.10 H new ATOM 0 HA LEU A 19 -4.873 -1.943 4.308 1.00 32.03 H new ATOM 0 HB2 LEU A 19 -2.228 -3.306 3.765 1.00 12.45 H new ATOM 0 HB3 LEU A 19 -3.119 -2.549 2.460 1.00 12.45 H new ATOM 0 HG LEU A 19 -1.412 -1.025 3.274 1.00 62.12 H new ATOM 0 HD11 LEU A 19 -2.777 0.989 3.825 1.00 73.21 H new ATOM 0 HD12 LEU A 19 -3.483 0.039 2.497 1.00 73.21 H new ATOM 0 HD13 LEU A 19 -4.180 -0.062 4.132 1.00 73.21 H new ATOM 0 HD21 LEU A 19 -1.375 -0.104 5.576 1.00 34.31 H new ATOM 0 HD22 LEU A 19 -2.663 -1.241 6.039 1.00 34.31 H new ATOM 0 HD23 LEU A 19 -1.070 -1.857 5.540 1.00 34.31 H new ATOM 338 N ILE A 20 -4.861 -5.192 3.665 1.00 5.10 N ATOM 339 CA ILE A 20 -5.545 -6.276 2.924 1.00 13.13 C ATOM 340 C ILE A 20 -7.076 -6.214 3.164 1.00 21.33 C ATOM 341 O ILE A 20 -7.857 -6.266 2.207 1.00 13.00 O ATOM 342 CB ILE A 20 -4.969 -7.700 3.304 1.00 33.12 C ATOM 343 CG1 ILE A 20 -3.470 -7.841 2.865 1.00 40.14 C ATOM 344 CG2 ILE A 20 -5.814 -8.852 2.716 1.00 42.03 C ATOM 345 CD1 ILE A 20 -3.197 -7.685 1.372 1.00 11.12 C ATOM 0 H ILE A 20 -4.183 -5.526 4.350 1.00 5.10 H new ATOM 0 HA ILE A 20 -5.354 -6.124 1.862 1.00 13.13 H new ATOM 0 HB ILE A 20 -5.023 -7.778 4.390 1.00 33.12 H new ATOM 0 HG12 ILE A 20 -2.882 -7.096 3.402 1.00 40.14 H new ATOM 0 HG13 ILE A 20 -3.109 -8.820 3.181 1.00 40.14 H new ATOM 0 HG21 ILE A 20 -5.377 -9.808 3.005 1.00 42.03 H new ATOM 0 HG22 ILE A 20 -6.833 -8.788 3.098 1.00 42.03 H new ATOM 0 HG23 ILE A 20 -5.829 -8.774 1.629 1.00 42.03 H new ATOM 0 HD11 ILE A 20 -2.130 -7.801 1.183 1.00 11.12 H new ATOM 0 HD12 ILE A 20 -3.748 -8.446 0.820 1.00 11.12 H new ATOM 0 HD13 ILE A 20 -3.518 -6.696 1.045 1.00 11.12 H new ATOM 357 N GLU A 21 -7.481 -6.041 4.439 1.00 71.23 N ATOM 358 CA GLU A 21 -8.903 -5.854 4.818 1.00 2.51 C ATOM 359 C GLU A 21 -9.473 -4.573 4.174 1.00 21.24 C ATOM 360 O GLU A 21 -10.567 -4.570 3.592 1.00 74.43 O ATOM 361 CB GLU A 21 -9.042 -5.736 6.366 1.00 62.03 C ATOM 362 CG GLU A 21 -8.487 -6.916 7.190 1.00 45.23 C ATOM 363 CD GLU A 21 -9.120 -8.273 6.845 1.00 42.02 C ATOM 364 OE1 GLU A 21 -10.229 -8.569 7.347 1.00 72.44 O ATOM 365 OE2 GLU A 21 -8.520 -9.055 6.077 1.00 40.13 O ATOM 0 H GLU A 21 -6.840 -6.026 5.232 1.00 71.23 H new ATOM 0 HA GLU A 21 -9.459 -6.721 4.462 1.00 2.51 H new ATOM 0 HB2 GLU A 21 -8.536 -4.826 6.687 1.00 62.03 H new ATOM 0 HB3 GLU A 21 -10.098 -5.616 6.607 1.00 62.03 H new ATOM 0 HG2 GLU A 21 -7.410 -6.979 7.035 1.00 45.23 H new ATOM 0 HG3 GLU A 21 -8.645 -6.712 8.249 1.00 45.23 H new ATOM 372 N ARG A 22 -8.681 -3.495 4.295 1.00 61.43 N ATOM 373 CA ARG A 22 -9.082 -2.126 3.932 1.00 40.35 C ATOM 374 C ARG A 22 -9.300 -1.930 2.412 1.00 41.01 C ATOM 375 O ARG A 22 -10.304 -1.338 2.006 1.00 71.21 O ATOM 376 CB ARG A 22 -8.038 -1.121 4.495 1.00 73.00 C ATOM 377 CG ARG A 22 -8.132 -0.906 6.024 1.00 40.32 C ATOM 378 CD ARG A 22 -9.432 -0.201 6.451 1.00 12.41 C ATOM 379 NE ARG A 22 -9.498 1.163 5.896 1.00 54.23 N ATOM 380 CZ ARG A 22 -10.226 1.559 4.834 1.00 22.31 C ATOM 381 NH1 ARG A 22 -11.005 0.704 4.176 1.00 4.14 N ATOM 382 NH2 ARG A 22 -10.125 2.806 4.404 1.00 45.24 N ATOM 0 H ARG A 22 -7.728 -3.551 4.654 1.00 61.43 H new ATOM 0 HA ARG A 22 -10.055 -1.936 4.384 1.00 40.35 H new ATOM 0 HB2 ARG A 22 -7.037 -1.477 4.249 1.00 73.00 H new ATOM 0 HB3 ARG A 22 -8.167 -0.161 3.995 1.00 73.00 H new ATOM 0 HG2 ARG A 22 -8.066 -1.871 6.526 1.00 40.32 H new ATOM 0 HG3 ARG A 22 -7.278 -0.315 6.356 1.00 40.32 H new ATOM 0 HD2 ARG A 22 -10.292 -0.778 6.111 1.00 12.41 H new ATOM 0 HD3 ARG A 22 -9.487 -0.158 7.539 1.00 12.41 H new ATOM 0 HE ARG A 22 -8.938 1.877 6.362 1.00 54.23 H new ATOM 0 HH11 ARG A 22 -11.058 -0.270 4.474 1.00 4.14 H new ATOM 0 HH12 ARG A 22 -11.549 1.023 3.374 1.00 4.14 H new ATOM 0 HH21 ARG A 22 -9.500 3.459 4.876 1.00 45.24 H new ATOM 0 HH22 ARG A 22 -10.673 3.114 3.601 1.00 45.24 H new ATOM 396 N LEU A 23 -8.383 -2.467 1.584 1.00 73.44 N ATOM 397 CA LEU A 23 -8.384 -2.269 0.106 1.00 13.23 C ATOM 398 C LEU A 23 -9.605 -2.948 -0.546 1.00 23.05 C ATOM 399 O LEU A 23 -10.124 -2.490 -1.573 1.00 71.04 O ATOM 400 CB LEU A 23 -7.067 -2.825 -0.515 1.00 30.20 C ATOM 401 CG LEU A 23 -5.741 -2.190 0.010 1.00 54.13 C ATOM 402 CD1 LEU A 23 -4.498 -2.877 -0.598 1.00 14.45 C ATOM 403 CD2 LEU A 23 -5.715 -0.663 -0.203 1.00 4.32 C ATOM 0 H LEU A 23 -7.616 -3.053 1.914 1.00 73.44 H new ATOM 0 HA LEU A 23 -8.446 -1.198 -0.089 1.00 13.23 H new ATOM 0 HB2 LEU A 23 -7.029 -3.899 -0.334 1.00 30.20 H new ATOM 0 HB3 LEU A 23 -7.111 -2.685 -1.595 1.00 30.20 H new ATOM 0 HG LEU A 23 -5.706 -2.362 1.086 1.00 54.13 H new ATOM 0 HD11 LEU A 23 -3.595 -2.407 -0.208 1.00 14.45 H new ATOM 0 HD12 LEU A 23 -4.500 -3.934 -0.332 1.00 14.45 H new ATOM 0 HD13 LEU A 23 -4.520 -2.775 -1.683 1.00 14.45 H new ATOM 0 HD21 LEU A 23 -4.776 -0.259 0.175 1.00 4.32 H new ATOM 0 HD22 LEU A 23 -5.802 -0.442 -1.267 1.00 4.32 H new ATOM 0 HD23 LEU A 23 -6.548 -0.207 0.332 1.00 4.32 H new ATOM 415 N GLU A 24 -10.051 -4.045 0.090 1.00 53.03 N ATOM 416 CA GLU A 24 -11.234 -4.817 -0.337 1.00 31.43 C ATOM 417 C GLU A 24 -12.549 -4.083 -0.001 1.00 50.15 C ATOM 418 O GLU A 24 -13.607 -4.457 -0.506 1.00 31.42 O ATOM 419 CB GLU A 24 -11.221 -6.224 0.319 1.00 51.23 C ATOM 420 CG GLU A 24 -9.996 -7.082 -0.049 1.00 50.23 C ATOM 421 CD GLU A 24 -10.047 -8.484 0.581 1.00 31.20 C ATOM 422 OE1 GLU A 24 -9.557 -8.670 1.715 1.00 63.35 O ATOM 423 OE2 GLU A 24 -10.592 -9.416 -0.060 1.00 65.22 O ATOM 0 H GLU A 24 -9.598 -4.425 0.921 1.00 53.03 H new ATOM 0 HA GLU A 24 -11.185 -4.925 -1.421 1.00 31.43 H new ATOM 0 HB2 GLU A 24 -11.257 -6.108 1.402 1.00 51.23 H new ATOM 0 HB3 GLU A 24 -12.125 -6.757 0.026 1.00 51.23 H new ATOM 0 HG2 GLU A 24 -9.935 -7.177 -1.133 1.00 50.23 H new ATOM 0 HG3 GLU A 24 -9.089 -6.573 0.278 1.00 50.23 H new ATOM 430 N GLU A 25 -12.473 -3.071 0.873 1.00 41.51 N ATOM 431 CA GLU A 25 -13.614 -2.202 1.214 1.00 1.32 C ATOM 432 C GLU A 25 -13.655 -0.966 0.296 1.00 11.31 C ATOM 433 O GLU A 25 -14.731 -0.429 0.023 1.00 24.13 O ATOM 434 CB GLU A 25 -13.491 -1.729 2.685 1.00 12.50 C ATOM 435 CG GLU A 25 -13.422 -2.849 3.739 1.00 14.05 C ATOM 436 CD GLU A 25 -13.295 -2.291 5.168 1.00 31.11 C ATOM 437 OE1 GLU A 25 -12.242 -1.703 5.491 1.00 64.03 O ATOM 438 OE2 GLU A 25 -14.247 -2.417 5.968 1.00 65.23 O ATOM 0 H GLU A 25 -11.615 -2.828 1.368 1.00 41.51 H new ATOM 0 HA GLU A 25 -14.530 -2.776 1.079 1.00 1.32 H new ATOM 0 HB2 GLU A 25 -12.597 -1.113 2.776 1.00 12.50 H new ATOM 0 HB3 GLU A 25 -14.343 -1.090 2.915 1.00 12.50 H new ATOM 0 HG2 GLU A 25 -14.317 -3.467 3.670 1.00 14.05 H new ATOM 0 HG3 GLU A 25 -12.571 -3.495 3.526 1.00 14.05 H new ATOM 445 N GLU A 26 -12.474 -0.541 -0.192 1.00 30.21 N ATOM 446 CA GLU A 26 -12.333 0.708 -0.961 1.00 63.03 C ATOM 447 C GLU A 26 -12.877 0.548 -2.392 1.00 51.33 C ATOM 448 O GLU A 26 -12.615 -0.462 -3.065 1.00 61.21 O ATOM 449 CB GLU A 26 -10.853 1.177 -0.985 1.00 33.44 C ATOM 450 CG GLU A 26 -10.216 1.392 0.407 1.00 20.15 C ATOM 451 CD GLU A 26 -10.882 2.488 1.276 1.00 42.13 C ATOM 452 OE1 GLU A 26 -11.970 2.255 1.868 1.00 42.02 O ATOM 453 OE2 GLU A 26 -10.313 3.581 1.411 1.00 12.55 O ATOM 0 H GLU A 26 -11.599 -1.049 -0.065 1.00 30.21 H new ATOM 0 HA GLU A 26 -12.927 1.474 -0.462 1.00 63.03 H new ATOM 0 HB2 GLU A 26 -10.262 0.440 -1.529 1.00 33.44 H new ATOM 0 HB3 GLU A 26 -10.792 2.110 -1.545 1.00 33.44 H new ATOM 0 HG2 GLU A 26 -10.248 0.449 0.953 1.00 20.15 H new ATOM 0 HG3 GLU A 26 -9.165 1.647 0.272 1.00 20.15 H new ATOM 460 N ARG A 27 -13.627 1.566 -2.838 1.00 24.45 N ATOM 461 CA ARG A 27 -14.345 1.558 -4.123 1.00 10.20 C ATOM 462 C ARG A 27 -13.527 2.309 -5.202 1.00 50.23 C ATOM 463 O ARG A 27 -12.734 3.188 -4.847 1.00 44.31 O ATOM 464 CB ARG A 27 -15.750 2.218 -3.932 1.00 61.02 C ATOM 465 CG ARG A 27 -16.573 1.650 -2.747 1.00 3.23 C ATOM 466 CD ARG A 27 -16.799 0.127 -2.831 1.00 65.20 C ATOM 467 NE ARG A 27 -17.501 -0.408 -1.646 1.00 42.35 N ATOM 468 CZ ARG A 27 -18.389 -1.419 -1.665 1.00 44.54 C ATOM 469 NH1 ARG A 27 -18.715 -2.026 -2.812 1.00 51.44 N ATOM 470 NH2 ARG A 27 -18.920 -1.847 -0.531 1.00 34.21 N ATOM 0 H ARG A 27 -13.754 2.430 -2.310 1.00 24.45 H new ATOM 0 HA ARG A 27 -14.478 0.530 -4.459 1.00 10.20 H new ATOM 0 HB2 ARG A 27 -15.617 3.290 -3.784 1.00 61.02 H new ATOM 0 HB3 ARG A 27 -16.324 2.092 -4.850 1.00 61.02 H new ATOM 0 HG2 ARG A 27 -16.060 1.883 -1.814 1.00 3.23 H new ATOM 0 HG3 ARG A 27 -17.540 2.152 -2.713 1.00 3.23 H new ATOM 0 HD2 ARG A 27 -17.377 -0.102 -3.726 1.00 65.20 H new ATOM 0 HD3 ARG A 27 -15.837 -0.374 -2.936 1.00 65.20 H new ATOM 0 HE ARG A 27 -17.297 0.022 -0.744 1.00 42.35 H new ATOM 0 HH11 ARG A 27 -18.289 -1.724 -3.688 1.00 51.44 H new ATOM 0 HH12 ARG A 27 -19.390 -2.791 -2.810 1.00 51.44 H new ATOM 0 HH21 ARG A 27 -18.656 -1.411 0.352 1.00 34.21 H new ATOM 0 HH22 ARG A 27 -19.593 -2.613 -0.540 1.00 34.21 H new ATOM 484 N PRO A 28 -13.678 1.973 -6.540 1.00 34.22 N ATOM 485 CA PRO A 28 -14.512 0.844 -7.058 1.00 53.01 C ATOM 486 C PRO A 28 -13.843 -0.538 -6.843 1.00 60.12 C ATOM 487 O PRO A 28 -14.521 -1.521 -6.528 1.00 51.25 O ATOM 488 CB PRO A 28 -14.671 1.172 -8.582 1.00 14.25 C ATOM 489 CG PRO A 28 -14.105 2.557 -8.755 1.00 62.12 C ATOM 490 CD PRO A 28 -13.071 2.713 -7.663 1.00 42.40 C ATOM 0 HA PRO A 28 -15.465 0.766 -6.534 1.00 53.01 H new ATOM 0 HB2 PRO A 28 -14.135 0.449 -9.197 1.00 14.25 H new ATOM 0 HB3 PRO A 28 -15.717 1.135 -8.885 1.00 14.25 H new ATOM 0 HG2 PRO A 28 -13.655 2.676 -9.741 1.00 62.12 H new ATOM 0 HG3 PRO A 28 -14.885 3.313 -8.667 1.00 62.12 H new ATOM 0 HD2 PRO A 28 -12.108 2.292 -7.953 1.00 42.40 H new ATOM 0 HD3 PRO A 28 -12.899 3.760 -7.413 1.00 42.40 H new ATOM 498 N SER A 29 -12.507 -0.575 -7.000 1.00 60.44 N ATOM 499 CA SER A 29 -11.684 -1.782 -6.825 1.00 13.20 C ATOM 500 C SER A 29 -10.201 -1.371 -6.828 1.00 64.33 C ATOM 501 O SER A 29 -9.743 -0.689 -7.758 1.00 61.54 O ATOM 502 CB SER A 29 -11.959 -2.817 -7.949 1.00 75.53 C ATOM 503 OG SER A 29 -11.187 -3.999 -7.791 1.00 24.42 O ATOM 0 H SER A 29 -11.962 0.248 -7.256 1.00 60.44 H new ATOM 0 HA SER A 29 -11.939 -2.254 -5.876 1.00 13.20 H new ATOM 0 HB2 SER A 29 -13.018 -3.075 -7.952 1.00 75.53 H new ATOM 0 HB3 SER A 29 -11.738 -2.367 -8.917 1.00 75.53 H new ATOM 0 HG SER A 29 -11.392 -4.623 -8.518 1.00 24.42 H new ATOM 509 N VAL A 30 -9.465 -1.764 -5.777 1.00 50.35 N ATOM 510 CA VAL A 30 -8.026 -1.498 -5.659 1.00 1.03 C ATOM 511 C VAL A 30 -7.235 -2.715 -6.163 1.00 44.42 C ATOM 512 O VAL A 30 -7.499 -3.852 -5.747 1.00 4.33 O ATOM 513 CB VAL A 30 -7.613 -1.172 -4.175 1.00 45.44 C ATOM 514 CG1 VAL A 30 -6.098 -0.857 -4.071 1.00 63.05 C ATOM 515 CG2 VAL A 30 -8.478 -0.024 -3.594 1.00 22.55 C ATOM 0 H VAL A 30 -9.853 -2.276 -4.985 1.00 50.35 H new ATOM 0 HA VAL A 30 -7.794 -0.624 -6.268 1.00 1.03 H new ATOM 0 HB VAL A 30 -7.802 -2.060 -3.571 1.00 45.44 H new ATOM 0 HG11 VAL A 30 -5.843 -0.636 -3.035 1.00 63.05 H new ATOM 0 HG12 VAL A 30 -5.523 -1.719 -4.410 1.00 63.05 H new ATOM 0 HG13 VAL A 30 -5.862 0.005 -4.695 1.00 63.05 H new ATOM 0 HG21 VAL A 30 -8.171 0.180 -2.568 1.00 22.55 H new ATOM 0 HG22 VAL A 30 -8.344 0.874 -4.198 1.00 22.55 H new ATOM 0 HG23 VAL A 30 -9.528 -0.317 -3.607 1.00 22.55 H new ATOM 525 N GLN A 31 -6.274 -2.462 -7.067 1.00 3.33 N ATOM 526 CA GLN A 31 -5.356 -3.486 -7.585 1.00 70.22 C ATOM 527 C GLN A 31 -4.035 -3.409 -6.804 1.00 5.34 C ATOM 528 O GLN A 31 -3.440 -2.336 -6.697 1.00 3.22 O ATOM 529 CB GLN A 31 -5.124 -3.280 -9.108 1.00 61.12 C ATOM 530 CG GLN A 31 -6.400 -3.415 -9.961 1.00 70.24 C ATOM 531 CD GLN A 31 -6.134 -3.307 -11.468 1.00 24.23 C ATOM 532 OE1 GLN A 31 -6.174 -2.221 -12.045 1.00 73.55 O ATOM 533 NE2 GLN A 31 -5.841 -4.437 -12.101 1.00 43.35 N ATOM 0 H GLN A 31 -6.113 -1.535 -7.460 1.00 3.33 H new ATOM 0 HA GLN A 31 -5.789 -4.477 -7.451 1.00 70.22 H new ATOM 0 HB2 GLN A 31 -4.695 -2.291 -9.269 1.00 61.12 H new ATOM 0 HB3 GLN A 31 -4.389 -4.007 -9.455 1.00 61.12 H new ATOM 0 HG2 GLN A 31 -6.871 -4.375 -9.750 1.00 70.24 H new ATOM 0 HG3 GLN A 31 -7.109 -2.641 -9.667 1.00 70.24 H new ATOM 0 HE21 GLN A 31 -5.818 -5.318 -11.587 1.00 43.35 H new ATOM 0 HE22 GLN A 31 -5.639 -4.424 -13.101 1.00 43.35 H new ATOM 542 N TYR A 32 -3.597 -4.550 -6.253 1.00 11.22 N ATOM 543 CA TYR A 32 -2.409 -4.633 -5.389 1.00 24.53 C ATOM 544 C TYR A 32 -1.759 -6.026 -5.519 1.00 20.32 C ATOM 545 O TYR A 32 -2.434 -6.995 -5.878 1.00 71.50 O ATOM 546 CB TYR A 32 -2.800 -4.329 -3.913 1.00 22.41 C ATOM 547 CG TYR A 32 -3.894 -5.261 -3.339 1.00 14.02 C ATOM 548 CD1 TYR A 32 -5.249 -5.001 -3.566 1.00 63.42 C ATOM 549 CD2 TYR A 32 -3.569 -6.402 -2.593 1.00 3.42 C ATOM 550 CE1 TYR A 32 -6.231 -5.841 -3.081 1.00 4.44 C ATOM 551 CE2 TYR A 32 -4.551 -7.242 -2.106 1.00 24.24 C ATOM 552 CZ TYR A 32 -5.881 -6.956 -2.352 1.00 3.12 C ATOM 553 OH TYR A 32 -6.859 -7.793 -1.877 1.00 74.13 O ATOM 0 H TYR A 32 -4.060 -5.448 -6.395 1.00 11.22 H new ATOM 0 HA TYR A 32 -1.680 -3.887 -5.706 1.00 24.53 H new ATOM 0 HB2 TYR A 32 -1.909 -4.407 -3.290 1.00 22.41 H new ATOM 0 HB3 TYR A 32 -3.146 -3.298 -3.846 1.00 22.41 H new ATOM 0 HD1 TYR A 32 -5.533 -4.126 -4.132 1.00 63.42 H new ATOM 0 HD2 TYR A 32 -2.532 -6.628 -2.395 1.00 3.42 H new ATOM 0 HE1 TYR A 32 -7.272 -5.624 -3.273 1.00 4.44 H new ATOM 0 HE2 TYR A 32 -4.281 -8.118 -1.536 1.00 24.24 H new ATOM 0 HH TYR A 32 -6.446 -8.533 -1.384 1.00 74.13 H new ATOM 563 N THR A 33 -0.453 -6.114 -5.205 1.00 32.21 N ATOM 564 CA THR A 33 0.359 -7.341 -5.364 1.00 31.43 C ATOM 565 C THR A 33 1.488 -7.367 -4.316 1.00 24.54 C ATOM 566 O THR A 33 2.331 -6.468 -4.297 1.00 14.23 O ATOM 567 CB THR A 33 0.980 -7.420 -6.807 1.00 54.11 C ATOM 568 OG1 THR A 33 -0.063 -7.356 -7.791 1.00 53.55 O ATOM 569 CG2 THR A 33 1.800 -8.708 -7.032 1.00 63.22 C ATOM 0 H THR A 33 0.077 -5.327 -4.829 1.00 32.21 H new ATOM 0 HA THR A 33 -0.294 -8.201 -5.218 1.00 31.43 H new ATOM 0 HB THR A 33 1.657 -6.571 -6.906 1.00 54.11 H new ATOM 0 HG1 THR A 33 0.330 -7.404 -8.688 1.00 53.55 H new ATOM 0 HG21 THR A 33 2.205 -8.709 -8.044 1.00 63.22 H new ATOM 0 HG22 THR A 33 2.619 -8.748 -6.314 1.00 63.22 H new ATOM 0 HG23 THR A 33 1.156 -9.577 -6.898 1.00 63.22 H new ATOM 577 N GLU A 34 1.498 -8.398 -3.452 1.00 70.03 N ATOM 578 CA GLU A 34 2.502 -8.544 -2.385 1.00 13.35 C ATOM 579 C GLU A 34 3.678 -9.416 -2.887 1.00 14.31 C ATOM 580 O GLU A 34 3.488 -10.592 -3.226 1.00 23.03 O ATOM 581 CB GLU A 34 1.839 -9.160 -1.122 1.00 25.23 C ATOM 582 CG GLU A 34 2.689 -9.093 0.164 1.00 4.41 C ATOM 583 CD GLU A 34 2.072 -9.870 1.343 1.00 52.22 C ATOM 584 OE1 GLU A 34 1.165 -9.339 2.026 1.00 24.32 O ATOM 585 OE2 GLU A 34 2.468 -11.043 1.566 1.00 2.41 O ATOM 0 H GLU A 34 0.811 -9.152 -3.474 1.00 70.03 H new ATOM 0 HA GLU A 34 2.899 -7.565 -2.116 1.00 13.35 H new ATOM 0 HB2 GLU A 34 0.894 -8.648 -0.941 1.00 25.23 H new ATOM 0 HB3 GLU A 34 1.602 -10.204 -1.328 1.00 25.23 H new ATOM 0 HG2 GLU A 34 3.682 -9.491 -0.044 1.00 4.41 H new ATOM 0 HG3 GLU A 34 2.817 -8.050 0.453 1.00 4.41 H new ATOM 592 N THR A 35 4.881 -8.824 -2.951 1.00 31.34 N ATOM 593 CA THR A 35 6.098 -9.473 -3.471 1.00 21.01 C ATOM 594 C THR A 35 7.213 -9.440 -2.407 1.00 70.01 C ATOM 595 O THR A 35 7.466 -8.390 -1.830 1.00 0.32 O ATOM 596 CB THR A 35 6.578 -8.706 -4.754 1.00 54.11 C ATOM 597 OG1 THR A 35 5.522 -8.672 -5.735 1.00 25.35 O ATOM 598 CG2 THR A 35 7.843 -9.317 -5.393 1.00 51.02 C ATOM 0 H THR A 35 5.039 -7.866 -2.638 1.00 31.34 H new ATOM 0 HA THR A 35 5.876 -10.511 -3.718 1.00 21.01 H new ATOM 0 HB THR A 35 6.834 -7.697 -4.429 1.00 54.11 H new ATOM 0 HG1 THR A 35 5.830 -8.190 -6.531 1.00 25.35 H new ATOM 0 HG21 THR A 35 8.121 -8.739 -6.275 1.00 51.02 H new ATOM 0 HG22 THR A 35 8.661 -9.296 -4.673 1.00 51.02 H new ATOM 0 HG23 THR A 35 7.642 -10.348 -5.683 1.00 51.02 H new ATOM 606 N THR A 36 7.882 -10.575 -2.155 1.00 34.13 N ATOM 607 CA THR A 36 9.061 -10.611 -1.279 1.00 63.30 C ATOM 608 C THR A 36 10.270 -10.070 -2.074 1.00 4.14 C ATOM 609 O THR A 36 10.837 -10.764 -2.922 1.00 21.23 O ATOM 610 CB THR A 36 9.327 -12.059 -0.739 1.00 11.22 C ATOM 611 OG1 THR A 36 8.128 -12.571 -0.124 1.00 4.24 O ATOM 612 CG2 THR A 36 10.474 -12.105 0.294 1.00 3.53 C ATOM 0 H THR A 36 7.625 -11.481 -2.547 1.00 34.13 H new ATOM 0 HA THR A 36 8.890 -9.984 -0.404 1.00 63.30 H new ATOM 0 HB THR A 36 9.621 -12.670 -1.592 1.00 11.22 H new ATOM 0 HG1 THR A 36 8.294 -13.477 0.212 1.00 4.24 H new ATOM 0 HG21 THR A 36 10.616 -13.131 0.635 1.00 3.53 H new ATOM 0 HG22 THR A 36 11.394 -11.746 -0.167 1.00 3.53 H new ATOM 0 HG23 THR A 36 10.223 -11.471 1.145 1.00 3.53 H new ATOM 620 N ARG A 37 10.597 -8.795 -1.819 1.00 32.21 N ATOM 621 CA ARG A 37 11.653 -8.049 -2.516 1.00 74.40 C ATOM 622 C ARG A 37 12.476 -7.258 -1.481 1.00 41.11 C ATOM 623 O ARG A 37 11.899 -6.663 -0.561 1.00 13.24 O ATOM 624 CB ARG A 37 11.005 -7.100 -3.556 1.00 43.01 C ATOM 625 CG ARG A 37 11.994 -6.369 -4.489 1.00 23.41 C ATOM 626 CD ARG A 37 12.817 -7.337 -5.361 1.00 20.24 C ATOM 627 NE ARG A 37 13.626 -6.624 -6.364 1.00 51.22 N ATOM 628 CZ ARG A 37 14.299 -7.209 -7.374 1.00 13.14 C ATOM 629 NH1 ARG A 37 14.274 -8.531 -7.529 1.00 20.25 N ATOM 630 NH2 ARG A 37 14.971 -6.459 -8.243 1.00 44.51 N ATOM 0 H ARG A 37 10.123 -8.241 -1.105 1.00 32.21 H new ATOM 0 HA ARG A 37 12.320 -8.732 -3.042 1.00 74.40 H new ATOM 0 HB2 ARG A 37 10.313 -7.678 -4.169 1.00 43.01 H new ATOM 0 HB3 ARG A 37 10.414 -6.354 -3.024 1.00 43.01 H new ATOM 0 HG2 ARG A 37 11.441 -5.686 -5.134 1.00 23.41 H new ATOM 0 HG3 ARG A 37 12.672 -5.762 -3.889 1.00 23.41 H new ATOM 0 HD2 ARG A 37 13.471 -7.932 -4.724 1.00 20.24 H new ATOM 0 HD3 ARG A 37 12.145 -8.032 -5.865 1.00 20.24 H new ATOM 0 HE ARG A 37 13.681 -5.608 -6.288 1.00 51.22 H new ATOM 0 HH11 ARG A 37 13.742 -9.111 -6.880 1.00 20.25 H new ATOM 0 HH12 ARG A 37 14.787 -8.964 -8.297 1.00 20.25 H new ATOM 0 HH21 ARG A 37 14.976 -5.444 -8.144 1.00 44.51 H new ATOM 0 HH22 ARG A 37 15.481 -6.899 -9.009 1.00 44.51 H new ATOM 644 N ASN A 38 13.817 -7.239 -1.672 1.00 22.40 N ATOM 645 CA ASN A 38 14.818 -6.736 -0.685 1.00 75.33 C ATOM 646 C ASN A 38 14.938 -7.712 0.505 1.00 33.14 C ATOM 647 O ASN A 38 15.477 -7.355 1.556 1.00 41.53 O ATOM 648 CB ASN A 38 14.534 -5.277 -0.187 1.00 41.42 C ATOM 649 CG ASN A 38 14.488 -4.252 -1.317 1.00 14.12 C ATOM 650 OD1 ASN A 38 15.504 -3.661 -1.673 1.00 4.51 O ATOM 651 ND2 ASN A 38 13.309 -4.047 -1.879 1.00 13.42 N ATOM 0 H ASN A 38 14.248 -7.579 -2.532 1.00 22.40 H new ATOM 0 HA ASN A 38 15.771 -6.689 -1.212 1.00 75.33 H new ATOM 0 HB2 ASN A 38 13.584 -5.261 0.347 1.00 41.42 H new ATOM 0 HB3 ASN A 38 15.306 -4.987 0.526 1.00 41.42 H new ATOM 0 HD21 ASN A 38 13.217 -3.375 -2.641 1.00 13.42 H new ATOM 0 HD22 ASN A 38 12.491 -4.561 -1.551 1.00 13.42 H new ATOM 658 N GLY A 39 14.470 -8.967 0.303 1.00 41.52 N ATOM 659 CA GLY A 39 14.477 -9.998 1.349 1.00 22.12 C ATOM 660 C GLY A 39 13.195 -10.024 2.177 1.00 34.32 C ATOM 661 O GLY A 39 12.858 -11.050 2.773 1.00 44.15 O ATOM 0 H GLY A 39 14.081 -9.284 -0.585 1.00 41.52 H new ATOM 0 HA2 GLY A 39 14.623 -10.974 0.887 1.00 22.12 H new ATOM 0 HA3 GLY A 39 15.326 -9.829 2.011 1.00 22.12 H new ATOM 665 N ARG A 40 12.467 -8.891 2.190 1.00 21.44 N ATOM 666 CA ARG A 40 11.223 -8.713 2.962 1.00 53.34 C ATOM 667 C ARG A 40 10.025 -8.603 2.016 1.00 22.12 C ATOM 668 O ARG A 40 10.175 -8.171 0.878 1.00 24.21 O ATOM 669 CB ARG A 40 11.295 -7.434 3.846 1.00 1.24 C ATOM 670 CG ARG A 40 11.368 -6.097 3.067 1.00 44.12 C ATOM 671 CD ARG A 40 11.319 -4.878 4.003 1.00 1.23 C ATOM 672 NE ARG A 40 12.404 -4.900 4.996 1.00 33.32 N ATOM 673 CZ ARG A 40 12.275 -4.636 6.308 1.00 21.24 C ATOM 674 NH1 ARG A 40 11.090 -4.320 6.834 1.00 62.11 N ATOM 675 NH2 ARG A 40 13.346 -4.688 7.086 1.00 3.32 N ATOM 0 H ARG A 40 12.731 -8.062 1.657 1.00 21.44 H new ATOM 0 HA ARG A 40 11.103 -9.583 3.608 1.00 53.34 H new ATOM 0 HB2 ARG A 40 10.420 -7.411 4.495 1.00 1.24 H new ATOM 0 HB3 ARG A 40 12.169 -7.507 4.493 1.00 1.24 H new ATOM 0 HG2 ARG A 40 12.288 -6.068 2.483 1.00 44.12 H new ATOM 0 HG3 ARG A 40 10.540 -6.044 2.360 1.00 44.12 H new ATOM 0 HD2 ARG A 40 11.387 -3.965 3.412 1.00 1.23 H new ATOM 0 HD3 ARG A 40 10.358 -4.854 4.517 1.00 1.23 H new ATOM 0 HE ARG A 40 13.337 -5.137 4.659 1.00 33.32 H new ATOM 0 HH11 ARG A 40 10.263 -4.276 6.238 1.00 62.11 H new ATOM 0 HH12 ARG A 40 11.011 -4.123 7.832 1.00 62.11 H new ATOM 0 HH21 ARG A 40 14.254 -4.926 6.688 1.00 3.32 H new ATOM 0 HH22 ARG A 40 13.262 -4.490 8.083 1.00 3.32 H new ATOM 689 N ARG A 41 8.850 -9.024 2.487 1.00 73.13 N ATOM 690 CA ARG A 41 7.581 -8.776 1.781 1.00 30.23 C ATOM 691 C ARG A 41 7.300 -7.253 1.657 1.00 10.23 C ATOM 692 O ARG A 41 7.558 -6.473 2.586 1.00 10.21 O ATOM 693 CB ARG A 41 6.411 -9.522 2.489 1.00 71.34 C ATOM 694 CG ARG A 41 6.408 -9.405 4.033 1.00 13.01 C ATOM 695 CD ARG A 41 5.339 -10.281 4.708 1.00 64.22 C ATOM 696 NE ARG A 41 5.625 -10.442 6.147 1.00 73.30 N ATOM 697 CZ ARG A 41 5.377 -11.544 6.873 1.00 24.44 C ATOM 698 NH1 ARG A 41 4.831 -12.622 6.317 1.00 42.32 N ATOM 699 NH2 ARG A 41 5.685 -11.572 8.162 1.00 13.55 N ATOM 0 H ARG A 41 8.746 -9.542 3.359 1.00 73.13 H new ATOM 0 HA ARG A 41 7.665 -9.171 0.768 1.00 30.23 H new ATOM 0 HB2 ARG A 41 5.467 -9.134 2.107 1.00 71.34 H new ATOM 0 HB3 ARG A 41 6.454 -10.577 2.218 1.00 71.34 H new ATOM 0 HG2 ARG A 41 7.390 -9.685 4.413 1.00 13.01 H new ATOM 0 HG3 ARG A 41 6.243 -8.364 4.311 1.00 13.01 H new ATOM 0 HD2 ARG A 41 4.356 -9.829 4.576 1.00 64.22 H new ATOM 0 HD3 ARG A 41 5.307 -11.259 4.227 1.00 64.22 H new ATOM 0 HE ARG A 41 6.047 -9.649 6.631 1.00 73.30 H new ATOM 0 HH11 ARG A 41 4.594 -12.620 5.325 1.00 42.32 H new ATOM 0 HH12 ARG A 41 4.649 -13.451 6.883 1.00 42.32 H new ATOM 0 HH21 ARG A 41 6.110 -10.756 8.603 1.00 13.55 H new ATOM 0 HH22 ARG A 41 5.497 -12.409 8.713 1.00 13.55 H new ATOM 713 N GLN A 42 6.828 -6.850 0.470 1.00 74.34 N ATOM 714 CA GLN A 42 6.338 -5.496 0.189 1.00 42.20 C ATOM 715 C GLN A 42 4.944 -5.615 -0.420 1.00 40.01 C ATOM 716 O GLN A 42 4.644 -6.614 -1.072 1.00 23.44 O ATOM 717 CB GLN A 42 7.280 -4.710 -0.782 1.00 54.32 C ATOM 718 CG GLN A 42 7.379 -5.280 -2.217 1.00 60.15 C ATOM 719 CD GLN A 42 8.114 -4.367 -3.195 1.00 21.32 C ATOM 720 OE1 GLN A 42 9.329 -4.437 -3.336 1.00 63.10 O ATOM 721 NE2 GLN A 42 7.391 -3.496 -3.874 1.00 74.04 N ATOM 0 H GLN A 42 6.775 -7.470 -0.338 1.00 74.34 H new ATOM 0 HA GLN A 42 6.313 -4.934 1.123 1.00 42.20 H new ATOM 0 HB2 GLN A 42 6.933 -3.679 -0.842 1.00 54.32 H new ATOM 0 HB3 GLN A 42 8.280 -4.685 -0.349 1.00 54.32 H new ATOM 0 HG2 GLN A 42 7.889 -6.243 -2.181 1.00 60.15 H new ATOM 0 HG3 GLN A 42 6.373 -5.466 -2.594 1.00 60.15 H new ATOM 0 HE21 GLN A 42 6.381 -3.457 -3.739 1.00 74.04 H new ATOM 0 HE22 GLN A 42 7.843 -2.862 -4.533 1.00 74.04 H new ATOM 730 N LEU A 43 4.093 -4.609 -0.209 1.00 2.14 N ATOM 731 CA LEU A 43 2.752 -4.577 -0.809 1.00 52.22 C ATOM 732 C LEU A 43 2.753 -3.452 -1.857 1.00 23.12 C ATOM 733 O LEU A 43 2.787 -2.274 -1.500 1.00 72.30 O ATOM 734 CB LEU A 43 1.669 -4.345 0.303 1.00 54.22 C ATOM 735 CG LEU A 43 0.299 -5.096 0.155 1.00 3.01 C ATOM 736 CD1 LEU A 43 -0.649 -4.764 1.337 1.00 0.41 C ATOM 737 CD2 LEU A 43 -0.379 -4.809 -1.199 1.00 4.44 C ATOM 0 H LEU A 43 4.307 -3.801 0.375 1.00 2.14 H new ATOM 0 HA LEU A 43 2.506 -5.524 -1.289 1.00 52.22 H new ATOM 0 HB2 LEU A 43 2.105 -4.629 1.261 1.00 54.22 H new ATOM 0 HB3 LEU A 43 1.462 -3.276 0.352 1.00 54.22 H new ATOM 0 HG LEU A 43 0.515 -6.164 0.182 1.00 3.01 H new ATOM 0 HD11 LEU A 43 -1.591 -5.298 1.209 1.00 0.41 H new ATOM 0 HD12 LEU A 43 -0.183 -5.070 2.274 1.00 0.41 H new ATOM 0 HD13 LEU A 43 -0.840 -3.691 1.360 1.00 0.41 H new ATOM 0 HD21 LEU A 43 -1.323 -5.350 -1.255 1.00 4.44 H new ATOM 0 HD22 LEU A 43 -0.568 -3.739 -1.292 1.00 4.44 H new ATOM 0 HD23 LEU A 43 0.274 -5.134 -2.009 1.00 4.44 H new ATOM 749 N THR A 44 2.741 -3.828 -3.140 1.00 34.44 N ATOM 750 CA THR A 44 2.733 -2.882 -4.258 1.00 2.34 C ATOM 751 C THR A 44 1.275 -2.575 -4.640 1.00 54.40 C ATOM 752 O THR A 44 0.598 -3.403 -5.257 1.00 10.22 O ATOM 753 CB THR A 44 3.519 -3.478 -5.478 1.00 21.03 C ATOM 754 OG1 THR A 44 4.837 -3.872 -5.056 1.00 21.32 O ATOM 755 CG2 THR A 44 3.641 -2.485 -6.652 1.00 44.31 C ATOM 0 H THR A 44 2.737 -4.805 -3.433 1.00 34.44 H new ATOM 0 HA THR A 44 3.228 -1.956 -3.964 1.00 2.34 H new ATOM 0 HB THR A 44 2.952 -4.338 -5.833 1.00 21.03 H new ATOM 0 HG1 THR A 44 5.327 -4.245 -5.818 1.00 21.32 H new ATOM 0 HG21 THR A 44 4.194 -2.952 -7.467 1.00 44.31 H new ATOM 0 HG22 THR A 44 2.646 -2.209 -7.000 1.00 44.31 H new ATOM 0 HG23 THR A 44 4.170 -1.592 -6.320 1.00 44.31 H new ATOM 763 N ILE A 45 0.803 -1.390 -4.245 1.00 73.52 N ATOM 764 CA ILE A 45 -0.559 -0.910 -4.522 1.00 63.12 C ATOM 765 C ILE A 45 -0.520 0.016 -5.740 1.00 2.32 C ATOM 766 O ILE A 45 0.357 0.870 -5.840 1.00 2.44 O ATOM 767 CB ILE A 45 -1.150 -0.118 -3.283 1.00 72.22 C ATOM 768 CG1 ILE A 45 -1.192 -1.028 -2.014 1.00 32.34 C ATOM 769 CG2 ILE A 45 -2.551 0.483 -3.591 1.00 22.23 C ATOM 770 CD1 ILE A 45 -1.758 -0.366 -0.766 1.00 20.41 C ATOM 0 H ILE A 45 1.364 -0.723 -3.714 1.00 73.52 H new ATOM 0 HA ILE A 45 -1.199 -1.771 -4.715 1.00 63.12 H new ATOM 0 HB ILE A 45 -0.482 0.720 -3.081 1.00 72.22 H new ATOM 0 HG12 ILE A 45 -1.787 -1.913 -2.239 1.00 32.34 H new ATOM 0 HG13 ILE A 45 -0.180 -1.371 -1.798 1.00 32.34 H new ATOM 0 HG21 ILE A 45 -2.918 1.017 -2.715 1.00 22.23 H new ATOM 0 HG22 ILE A 45 -2.474 1.173 -4.431 1.00 22.23 H new ATOM 0 HG23 ILE A 45 -3.244 -0.320 -3.844 1.00 22.23 H new ATOM 0 HD11 ILE A 45 -1.746 -1.077 0.060 1.00 20.41 H new ATOM 0 HD12 ILE A 45 -1.151 0.502 -0.507 1.00 20.41 H new ATOM 0 HD13 ILE A 45 -2.783 -0.048 -0.956 1.00 20.41 H new ATOM 782 N ARG A 46 -1.467 -0.171 -6.664 1.00 64.04 N ATOM 783 CA ARG A 46 -1.669 0.712 -7.820 1.00 75.14 C ATOM 784 C ARG A 46 -3.102 1.248 -7.805 1.00 30.15 C ATOM 785 O ARG A 46 -4.020 0.620 -7.259 1.00 21.42 O ATOM 786 CB ARG A 46 -1.386 -0.034 -9.151 1.00 75.01 C ATOM 787 CG ARG A 46 0.100 -0.374 -9.383 1.00 11.13 C ATOM 788 CD ARG A 46 0.357 -1.013 -10.761 1.00 62.31 C ATOM 789 NE ARG A 46 1.797 -1.193 -11.003 1.00 75.22 N ATOM 790 CZ ARG A 46 2.387 -1.250 -12.208 1.00 61.03 C ATOM 791 NH1 ARG A 46 1.667 -1.142 -13.329 1.00 42.42 N ATOM 792 NH2 ARG A 46 3.706 -1.392 -12.280 1.00 34.15 N ATOM 0 H ARG A 46 -2.125 -0.950 -6.631 1.00 64.04 H new ATOM 0 HA ARG A 46 -0.968 1.544 -7.751 1.00 75.14 H new ATOM 0 HB2 ARG A 46 -1.965 -0.957 -9.167 1.00 75.01 H new ATOM 0 HB3 ARG A 46 -1.740 0.579 -9.980 1.00 75.01 H new ATOM 0 HG2 ARG A 46 0.695 0.535 -9.292 1.00 11.13 H new ATOM 0 HG3 ARG A 46 0.438 -1.055 -8.603 1.00 11.13 H new ATOM 0 HD2 ARG A 46 -0.147 -1.978 -10.817 1.00 62.31 H new ATOM 0 HD3 ARG A 46 -0.070 -0.384 -11.542 1.00 62.31 H new ATOM 0 HE ARG A 46 2.399 -1.282 -10.185 1.00 75.22 H new ATOM 0 HH11 ARG A 46 0.656 -1.015 -13.276 1.00 42.42 H new ATOM 0 HH12 ARG A 46 2.128 -1.187 -14.238 1.00 42.42 H new ATOM 0 HH21 ARG A 46 4.259 -1.457 -11.426 1.00 34.15 H new ATOM 0 HH22 ARG A 46 4.165 -1.437 -13.190 1.00 34.15 H new ATOM 806 N SER A 47 -3.263 2.422 -8.414 1.00 71.41 N ATOM 807 CA SER A 47 -4.547 3.115 -8.533 1.00 51.12 C ATOM 808 C SER A 47 -4.643 3.763 -9.924 1.00 23.10 C ATOM 809 O SER A 47 -3.711 3.675 -10.739 1.00 54.10 O ATOM 810 CB SER A 47 -4.664 4.169 -7.403 1.00 21.54 C ATOM 811 OG SER A 47 -5.849 4.946 -7.490 1.00 54.22 O ATOM 0 H SER A 47 -2.491 2.928 -8.847 1.00 71.41 H new ATOM 0 HA SER A 47 -5.374 2.412 -8.428 1.00 51.12 H new ATOM 0 HB2 SER A 47 -4.638 3.663 -6.438 1.00 21.54 H new ATOM 0 HB3 SER A 47 -3.799 4.831 -7.440 1.00 21.54 H new ATOM 0 HG SER A 47 -6.630 4.363 -7.389 1.00 54.22 H new ATOM 817 N ASN A 48 -5.782 4.402 -10.184 1.00 31.42 N ATOM 818 CA ASN A 48 -6.075 5.112 -11.442 1.00 31.31 C ATOM 819 C ASN A 48 -6.153 6.636 -11.193 1.00 50.23 C ATOM 820 O ASN A 48 -5.915 7.440 -12.103 1.00 33.02 O ATOM 821 CB ASN A 48 -7.413 4.567 -12.016 1.00 21.21 C ATOM 822 CG ASN A 48 -8.598 4.749 -11.052 1.00 21.04 C ATOM 823 OD1 ASN A 48 -9.344 5.723 -11.149 1.00 72.22 O ATOM 824 ND2 ASN A 48 -8.735 3.854 -10.079 1.00 62.33 N ATOM 0 H ASN A 48 -6.550 4.445 -9.514 1.00 31.42 H new ATOM 0 HA ASN A 48 -5.277 4.940 -12.165 1.00 31.31 H new ATOM 0 HB2 ASN A 48 -7.634 5.076 -12.954 1.00 21.21 H new ATOM 0 HB3 ASN A 48 -7.299 3.508 -12.247 1.00 21.21 H new ATOM 0 HD21 ASN A 48 -9.475 3.964 -9.385 1.00 62.33 H new ATOM 0 HD22 ASN A 48 -8.100 3.057 -10.026 1.00 62.33 H new ATOM 831 N ASP A 49 -6.439 7.017 -9.934 1.00 44.14 N ATOM 832 CA ASP A 49 -6.778 8.400 -9.544 1.00 34.05 C ATOM 833 C ASP A 49 -5.975 8.822 -8.300 1.00 11.11 C ATOM 834 O ASP A 49 -5.712 8.000 -7.413 1.00 21.54 O ATOM 835 CB ASP A 49 -8.309 8.501 -9.290 1.00 14.32 C ATOM 836 CG ASP A 49 -8.747 9.821 -8.643 1.00 12.21 C ATOM 837 OD1 ASP A 49 -8.554 10.897 -9.249 1.00 52.41 O ATOM 838 OD2 ASP A 49 -9.249 9.791 -7.508 1.00 21.50 O ATOM 0 H ASP A 49 -6.441 6.366 -9.149 1.00 44.14 H new ATOM 0 HA ASP A 49 -6.512 9.082 -10.351 1.00 34.05 H new ATOM 0 HB2 ASP A 49 -8.833 8.381 -10.238 1.00 14.32 H new ATOM 0 HB3 ASP A 49 -8.616 7.674 -8.649 1.00 14.32 H new ATOM 843 N LYS A 50 -5.581 10.119 -8.252 1.00 1.40 N ATOM 844 CA LYS A 50 -4.766 10.685 -7.164 1.00 63.44 C ATOM 845 C LYS A 50 -5.545 10.737 -5.841 1.00 64.32 C ATOM 846 O LYS A 50 -4.989 10.422 -4.793 1.00 70.24 O ATOM 847 CB LYS A 50 -4.207 12.090 -7.540 1.00 41.11 C ATOM 848 CG LYS A 50 -3.257 12.718 -6.479 1.00 43.23 C ATOM 849 CD LYS A 50 -2.082 11.788 -6.103 1.00 51.12 C ATOM 850 CE LYS A 50 -1.197 12.355 -4.985 1.00 10.13 C ATOM 851 NZ LYS A 50 -0.417 13.542 -5.410 1.00 3.14 N ATOM 0 H LYS A 50 -5.824 10.799 -8.973 1.00 1.40 H new ATOM 0 HA LYS A 50 -3.916 10.018 -7.020 1.00 63.44 H new ATOM 0 HB2 LYS A 50 -3.671 12.011 -8.486 1.00 41.11 H new ATOM 0 HB3 LYS A 50 -5.045 12.767 -7.704 1.00 41.11 H new ATOM 0 HG2 LYS A 50 -2.862 13.658 -6.863 1.00 43.23 H new ATOM 0 HG3 LYS A 50 -3.828 12.955 -5.582 1.00 43.23 H new ATOM 0 HD2 LYS A 50 -2.478 10.822 -5.790 1.00 51.12 H new ATOM 0 HD3 LYS A 50 -1.470 11.610 -6.987 1.00 51.12 H new ATOM 0 HE2 LYS A 50 -1.823 12.624 -4.134 1.00 10.13 H new ATOM 0 HE3 LYS A 50 -0.511 11.580 -4.643 1.00 10.13 H new ATOM 0 HZ1 LYS A 50 0.161 13.881 -4.615 1.00 3.14 H new ATOM 0 HZ2 LYS A 50 0.204 13.284 -6.204 1.00 3.14 H new ATOM 0 HZ3 LYS A 50 -1.068 14.296 -5.710 1.00 3.14 H new ATOM 865 N ASN A 51 -6.832 11.108 -5.889 1.00 23.01 N ATOM 866 CA ASN A 51 -7.666 11.199 -4.665 1.00 1.03 C ATOM 867 C ASN A 51 -7.844 9.797 -4.035 1.00 14.01 C ATOM 868 O ASN A 51 -7.878 9.661 -2.807 1.00 24.24 O ATOM 869 CB ASN A 51 -9.050 11.830 -4.966 1.00 65.33 C ATOM 870 CG ASN A 51 -8.968 13.181 -5.687 1.00 5.45 C ATOM 871 OD1 ASN A 51 -8.889 14.239 -5.054 1.00 21.35 O ATOM 872 ND2 ASN A 51 -9.004 13.155 -7.014 1.00 75.22 N ATOM 0 H ASN A 51 -7.322 11.350 -6.750 1.00 23.01 H new ATOM 0 HA ASN A 51 -7.150 11.848 -3.957 1.00 1.03 H new ATOM 0 HB2 ASN A 51 -9.630 11.137 -5.576 1.00 65.33 H new ATOM 0 HB3 ASN A 51 -9.591 11.960 -4.029 1.00 65.33 H new ATOM 0 HD21 ASN A 51 -8.966 14.027 -7.542 1.00 75.22 H new ATOM 0 HD22 ASN A 51 -9.069 12.263 -7.505 1.00 75.22 H new ATOM 879 N GLU A 52 -7.935 8.767 -4.903 1.00 70.55 N ATOM 880 CA GLU A 52 -8.082 7.355 -4.497 1.00 62.14 C ATOM 881 C GLU A 52 -6.780 6.831 -3.849 1.00 11.42 C ATOM 882 O GLU A 52 -6.797 6.320 -2.718 1.00 61.43 O ATOM 883 CB GLU A 52 -8.466 6.492 -5.737 1.00 22.25 C ATOM 884 CG GLU A 52 -8.768 5.004 -5.432 1.00 33.42 C ATOM 885 CD GLU A 52 -9.095 4.176 -6.692 1.00 5.23 C ATOM 886 OE1 GLU A 52 -10.178 4.378 -7.285 1.00 71.51 O ATOM 887 OE2 GLU A 52 -8.272 3.326 -7.102 1.00 3.13 O ATOM 0 H GLU A 52 -7.908 8.895 -5.915 1.00 70.55 H new ATOM 0 HA GLU A 52 -8.876 7.282 -3.754 1.00 62.14 H new ATOM 0 HB2 GLU A 52 -9.342 6.935 -6.212 1.00 22.25 H new ATOM 0 HB3 GLU A 52 -7.652 6.541 -6.461 1.00 22.25 H new ATOM 0 HG2 GLU A 52 -7.908 4.562 -4.928 1.00 33.42 H new ATOM 0 HG3 GLU A 52 -9.608 4.946 -4.739 1.00 33.42 H new ATOM 894 N VAL A 53 -5.654 6.989 -4.578 1.00 44.11 N ATOM 895 CA VAL A 53 -4.335 6.460 -4.156 1.00 42.03 C ATOM 896 C VAL A 53 -3.854 7.139 -2.858 1.00 5.43 C ATOM 897 O VAL A 53 -3.267 6.492 -2.002 1.00 14.34 O ATOM 898 CB VAL A 53 -3.237 6.617 -5.287 1.00 63.15 C ATOM 899 CG1 VAL A 53 -2.777 8.076 -5.471 1.00 12.10 C ATOM 900 CG2 VAL A 53 -2.028 5.672 -5.048 1.00 60.11 C ATOM 0 H VAL A 53 -5.631 7.483 -5.470 1.00 44.11 H new ATOM 0 HA VAL A 53 -4.472 5.395 -3.970 1.00 42.03 H new ATOM 0 HB VAL A 53 -3.715 6.319 -6.220 1.00 63.15 H new ATOM 0 HG11 VAL A 53 -2.025 8.124 -6.258 1.00 12.10 H new ATOM 0 HG12 VAL A 53 -3.631 8.695 -5.747 1.00 12.10 H new ATOM 0 HG13 VAL A 53 -2.350 8.443 -4.538 1.00 12.10 H new ATOM 0 HG21 VAL A 53 -1.296 5.809 -5.844 1.00 60.11 H new ATOM 0 HG22 VAL A 53 -1.568 5.906 -4.088 1.00 60.11 H new ATOM 0 HG23 VAL A 53 -2.370 4.637 -5.044 1.00 60.11 H new ATOM 910 N ASP A 54 -4.155 8.439 -2.722 1.00 65.55 N ATOM 911 CA ASP A 54 -3.678 9.274 -1.604 1.00 64.24 C ATOM 912 C ASP A 54 -4.528 9.052 -0.344 1.00 73.15 C ATOM 913 O ASP A 54 -4.058 9.270 0.770 1.00 32.21 O ATOM 914 CB ASP A 54 -3.678 10.757 -2.035 1.00 72.10 C ATOM 915 CG ASP A 54 -3.097 11.718 -0.987 1.00 42.32 C ATOM 916 OD1 ASP A 54 -1.872 11.676 -0.749 1.00 32.44 O ATOM 917 OD2 ASP A 54 -3.856 12.526 -0.414 1.00 14.11 O ATOM 0 H ASP A 54 -4.739 8.946 -3.387 1.00 65.55 H new ATOM 0 HA ASP A 54 -2.658 8.984 -1.352 1.00 64.24 H new ATOM 0 HB2 ASP A 54 -3.106 10.855 -2.958 1.00 72.10 H new ATOM 0 HB3 ASP A 54 -4.701 11.058 -2.260 1.00 72.10 H new ATOM 922 N ARG A 55 -5.779 8.620 -0.547 1.00 12.10 N ATOM 923 CA ARG A 55 -6.688 8.189 0.543 1.00 20.15 C ATOM 924 C ARG A 55 -6.176 6.879 1.191 1.00 53.11 C ATOM 925 O ARG A 55 -6.293 6.679 2.408 1.00 52.24 O ATOM 926 CB ARG A 55 -8.116 8.015 -0.040 1.00 71.01 C ATOM 927 CG ARG A 55 -9.147 7.335 0.885 1.00 61.03 C ATOM 928 CD ARG A 55 -10.554 7.263 0.255 1.00 20.03 C ATOM 929 NE ARG A 55 -11.365 6.187 0.844 1.00 33.25 N ATOM 930 CZ ARG A 55 -12.347 6.321 1.738 1.00 73.50 C ATOM 931 NH1 ARG A 55 -12.707 7.515 2.205 1.00 32.22 N ATOM 932 NH2 ARG A 55 -12.963 5.235 2.168 1.00 21.04 N ATOM 0 H ARG A 55 -6.199 8.556 -1.474 1.00 12.10 H new ATOM 0 HA ARG A 55 -6.715 8.945 1.327 1.00 20.15 H new ATOM 0 HB2 ARG A 55 -8.497 8.999 -0.314 1.00 71.01 H new ATOM 0 HB3 ARG A 55 -8.043 7.434 -0.959 1.00 71.01 H new ATOM 0 HG2 ARG A 55 -8.807 6.327 1.122 1.00 61.03 H new ATOM 0 HG3 ARG A 55 -9.202 7.882 1.826 1.00 61.03 H new ATOM 0 HD2 ARG A 55 -11.062 8.217 0.392 1.00 20.03 H new ATOM 0 HD3 ARG A 55 -10.463 7.102 -0.819 1.00 20.03 H new ATOM 0 HE ARG A 55 -11.155 5.237 0.537 1.00 33.25 H new ATOM 0 HH11 ARG A 55 -12.229 8.355 1.880 1.00 32.22 H new ATOM 0 HH12 ARG A 55 -13.461 7.589 2.888 1.00 32.22 H new ATOM 0 HH21 ARG A 55 -12.685 4.318 1.817 1.00 21.04 H new ATOM 0 HH22 ARG A 55 -13.716 5.313 2.851 1.00 21.04 H new ATOM 946 N ILE A 56 -5.612 6.004 0.349 1.00 60.04 N ATOM 947 CA ILE A 56 -4.967 4.751 0.787 1.00 64.55 C ATOM 948 C ILE A 56 -3.600 5.068 1.437 1.00 64.31 C ATOM 949 O ILE A 56 -3.252 4.531 2.498 1.00 11.13 O ATOM 950 CB ILE A 56 -4.764 3.794 -0.449 1.00 64.20 C ATOM 951 CG1 ILE A 56 -6.140 3.467 -1.127 1.00 45.34 C ATOM 952 CG2 ILE A 56 -4.012 2.502 -0.047 1.00 53.30 C ATOM 953 CD1 ILE A 56 -6.037 2.698 -2.436 1.00 72.04 C ATOM 0 H ILE A 56 -5.588 6.142 -0.661 1.00 60.04 H new ATOM 0 HA ILE A 56 -5.605 4.256 1.519 1.00 64.55 H new ATOM 0 HB ILE A 56 -4.143 4.314 -1.179 1.00 64.20 H new ATOM 0 HG12 ILE A 56 -6.745 2.889 -0.429 1.00 45.34 H new ATOM 0 HG13 ILE A 56 -6.670 4.401 -1.311 1.00 45.34 H new ATOM 0 HG21 ILE A 56 -3.889 1.865 -0.923 1.00 53.30 H new ATOM 0 HG22 ILE A 56 -3.032 2.761 0.354 1.00 53.30 H new ATOM 0 HG23 ILE A 56 -4.585 1.969 0.712 1.00 53.30 H new ATOM 0 HD11 ILE A 56 -7.037 2.517 -2.831 1.00 72.04 H new ATOM 0 HD12 ILE A 56 -5.462 3.280 -3.156 1.00 72.04 H new ATOM 0 HD13 ILE A 56 -5.539 1.745 -2.260 1.00 72.04 H new ATOM 965 N LEU A 57 -2.859 5.961 0.768 1.00 52.40 N ATOM 966 CA LEU A 57 -1.492 6.368 1.120 1.00 44.14 C ATOM 967 C LEU A 57 -1.414 6.983 2.522 1.00 15.53 C ATOM 968 O LEU A 57 -0.592 6.565 3.337 1.00 41.22 O ATOM 969 CB LEU A 57 -0.991 7.380 0.062 1.00 31.43 C ATOM 970 CG LEU A 57 0.462 7.906 0.209 1.00 32.53 C ATOM 971 CD1 LEU A 57 1.498 6.772 0.097 1.00 45.41 C ATOM 972 CD2 LEU A 57 0.728 9.024 -0.820 1.00 2.43 C ATOM 0 H LEU A 57 -3.208 6.437 -0.064 1.00 52.40 H new ATOM 0 HA LEU A 57 -0.858 5.481 1.130 1.00 44.14 H new ATOM 0 HB2 LEU A 57 -1.083 6.915 -0.919 1.00 31.43 H new ATOM 0 HB3 LEU A 57 -1.663 8.238 0.072 1.00 31.43 H new ATOM 0 HG LEU A 57 0.571 8.326 1.209 1.00 32.53 H new ATOM 0 HD11 LEU A 57 2.501 7.184 0.205 1.00 45.41 H new ATOM 0 HD12 LEU A 57 1.320 6.038 0.883 1.00 45.41 H new ATOM 0 HD13 LEU A 57 1.407 6.291 -0.877 1.00 45.41 H new ATOM 0 HD21 LEU A 57 1.750 9.386 -0.708 1.00 2.43 H new ATOM 0 HD22 LEU A 57 0.590 8.631 -1.828 1.00 2.43 H new ATOM 0 HD23 LEU A 57 0.032 9.846 -0.652 1.00 2.43 H new ATOM 984 N GLU A 58 -2.281 7.971 2.790 1.00 22.10 N ATOM 985 CA GLU A 58 -2.327 8.657 4.096 1.00 74.43 C ATOM 986 C GLU A 58 -2.556 7.655 5.246 1.00 72.51 C ATOM 987 O GLU A 58 -1.979 7.795 6.335 1.00 44.23 O ATOM 988 CB GLU A 58 -3.431 9.745 4.105 1.00 63.34 C ATOM 989 CG GLU A 58 -4.864 9.212 3.897 1.00 52.41 C ATOM 990 CD GLU A 58 -5.952 10.284 4.048 1.00 3.10 C ATOM 991 OE1 GLU A 58 -6.183 11.064 3.099 1.00 14.03 O ATOM 992 OE2 GLU A 58 -6.572 10.364 5.135 1.00 63.51 O ATOM 0 H GLU A 58 -2.965 8.317 2.117 1.00 22.10 H new ATOM 0 HA GLU A 58 -1.361 9.137 4.251 1.00 74.43 H new ATOM 0 HB2 GLU A 58 -3.390 10.277 5.056 1.00 63.34 H new ATOM 0 HB3 GLU A 58 -3.212 10.472 3.323 1.00 63.34 H new ATOM 0 HG2 GLU A 58 -4.937 8.771 2.903 1.00 52.41 H new ATOM 0 HG3 GLU A 58 -5.052 8.413 4.614 1.00 52.41 H new ATOM 999 N GLU A 59 -3.376 6.618 4.962 1.00 54.42 N ATOM 1000 CA GLU A 59 -3.769 5.634 5.960 1.00 25.34 C ATOM 1001 C GLU A 59 -2.646 4.621 6.213 1.00 51.11 C ATOM 1002 O GLU A 59 -2.388 4.310 7.361 1.00 53.03 O ATOM 1003 CB GLU A 59 -5.079 4.910 5.577 1.00 3.24 C ATOM 1004 CG GLU A 59 -5.724 4.197 6.784 1.00 74.44 C ATOM 1005 CD GLU A 59 -6.917 3.313 6.425 1.00 61.10 C ATOM 1006 OE1 GLU A 59 -8.042 3.833 6.243 1.00 63.45 O ATOM 1007 OE2 GLU A 59 -6.736 2.083 6.342 1.00 15.21 O ATOM 0 H GLU A 59 -3.774 6.452 4.038 1.00 54.42 H new ATOM 0 HA GLU A 59 -3.955 6.180 6.885 1.00 25.34 H new ATOM 0 HB2 GLU A 59 -5.784 5.632 5.164 1.00 3.24 H new ATOM 0 HB3 GLU A 59 -4.874 4.181 4.793 1.00 3.24 H new ATOM 0 HG2 GLU A 59 -4.968 3.585 7.277 1.00 74.44 H new ATOM 0 HG3 GLU A 59 -6.046 4.948 7.505 1.00 74.44 H new ATOM 1014 N VAL A 60 -1.975 4.117 5.150 1.00 4.03 N ATOM 1015 CA VAL A 60 -0.887 3.114 5.320 1.00 61.13 C ATOM 1016 C VAL A 60 0.289 3.694 6.131 1.00 70.04 C ATOM 1017 O VAL A 60 0.907 2.992 6.939 1.00 43.43 O ATOM 1018 CB VAL A 60 -0.353 2.496 3.968 1.00 54.54 C ATOM 1019 CG1 VAL A 60 0.182 3.555 2.992 1.00 55.30 C ATOM 1020 CG2 VAL A 60 0.734 1.426 4.249 1.00 41.13 C ATOM 0 H VAL A 60 -2.160 4.380 4.182 1.00 4.03 H new ATOM 0 HA VAL A 60 -1.348 2.295 5.872 1.00 61.13 H new ATOM 0 HB VAL A 60 -1.209 2.026 3.484 1.00 54.54 H new ATOM 0 HG11 VAL A 60 0.534 3.067 2.083 1.00 55.30 H new ATOM 0 HG12 VAL A 60 -0.615 4.256 2.743 1.00 55.30 H new ATOM 0 HG13 VAL A 60 1.007 4.095 3.457 1.00 55.30 H new ATOM 0 HG21 VAL A 60 1.089 1.012 3.305 1.00 41.13 H new ATOM 0 HG22 VAL A 60 1.567 1.885 4.781 1.00 41.13 H new ATOM 0 HG23 VAL A 60 0.310 0.628 4.859 1.00 41.13 H new ATOM 1030 N ARG A 61 0.554 4.990 5.938 1.00 1.51 N ATOM 1031 CA ARG A 61 1.644 5.688 6.631 1.00 45.51 C ATOM 1032 C ARG A 61 1.343 5.830 8.141 1.00 40.41 C ATOM 1033 O ARG A 61 2.252 5.719 8.968 1.00 41.13 O ATOM 1034 CB ARG A 61 1.888 7.060 5.951 1.00 44.45 C ATOM 1035 CG ARG A 61 2.299 6.948 4.463 1.00 3.13 C ATOM 1036 CD ARG A 61 2.502 8.313 3.777 1.00 74.51 C ATOM 1037 NE ARG A 61 3.630 9.064 4.351 1.00 71.15 N ATOM 1038 CZ ARG A 61 4.345 9.998 3.707 1.00 20.24 C ATOM 1039 NH1 ARG A 61 4.060 10.330 2.449 1.00 63.14 N ATOM 1040 NH2 ARG A 61 5.346 10.595 4.330 1.00 5.52 N ATOM 0 H ARG A 61 0.023 5.583 5.301 1.00 1.51 H new ATOM 0 HA ARG A 61 2.559 5.100 6.554 1.00 45.51 H new ATOM 0 HB2 ARG A 61 0.981 7.659 6.025 1.00 44.45 H new ATOM 0 HB3 ARG A 61 2.667 7.593 6.496 1.00 44.45 H new ATOM 0 HG2 ARG A 61 3.223 6.373 4.392 1.00 3.13 H new ATOM 0 HG3 ARG A 61 1.534 6.390 3.924 1.00 3.13 H new ATOM 0 HD2 ARG A 61 2.675 8.160 2.712 1.00 74.51 H new ATOM 0 HD3 ARG A 61 1.590 8.903 3.870 1.00 74.51 H new ATOM 0 HE ARG A 61 3.889 8.858 5.316 1.00 71.15 H new ATOM 0 HH11 ARG A 61 3.289 9.872 1.963 1.00 63.14 H new ATOM 0 HH12 ARG A 61 4.613 11.042 1.972 1.00 63.14 H new ATOM 0 HH21 ARG A 61 5.569 10.344 5.293 1.00 5.52 H new ATOM 0 HH22 ARG A 61 5.895 11.307 3.848 1.00 5.52 H new ATOM 1054 N ARG A 62 0.058 6.052 8.490 1.00 11.52 N ATOM 1055 CA ARG A 62 -0.389 6.125 9.912 1.00 10.02 C ATOM 1056 C ARG A 62 -0.696 4.712 10.472 1.00 43.21 C ATOM 1057 O ARG A 62 -0.755 4.525 11.695 1.00 64.41 O ATOM 1058 CB ARG A 62 -1.634 7.063 10.060 1.00 34.52 C ATOM 1059 CG ARG A 62 -2.960 6.488 9.513 1.00 70.53 C ATOM 1060 CD ARG A 62 -4.159 7.445 9.637 1.00 31.13 C ATOM 1061 NE ARG A 62 -3.948 8.706 8.897 1.00 41.43 N ATOM 1062 CZ ARG A 62 -4.675 9.133 7.847 1.00 75.24 C ATOM 1063 NH1 ARG A 62 -5.688 8.414 7.364 1.00 75.01 N ATOM 1064 NH2 ARG A 62 -4.370 10.285 7.274 1.00 0.11 N ATOM 0 H ARG A 62 -0.693 6.185 7.813 1.00 11.52 H new ATOM 0 HA ARG A 62 0.427 6.550 10.497 1.00 10.02 H new ATOM 0 HB2 ARG A 62 -1.767 7.299 11.116 1.00 34.52 H new ATOM 0 HB3 ARG A 62 -1.425 8.002 9.547 1.00 34.52 H new ATOM 0 HG2 ARG A 62 -2.825 6.227 8.463 1.00 70.53 H new ATOM 0 HG3 ARG A 62 -3.190 5.564 10.044 1.00 70.53 H new ATOM 0 HD2 ARG A 62 -5.055 6.951 9.261 1.00 31.13 H new ATOM 0 HD3 ARG A 62 -4.335 7.669 10.689 1.00 31.13 H new ATOM 0 HE ARG A 62 -3.184 9.306 9.209 1.00 41.43 H new ATOM 0 HH11 ARG A 62 -5.927 7.519 7.791 1.00 75.01 H new ATOM 0 HH12 ARG A 62 -6.224 8.759 6.568 1.00 75.01 H new ATOM 0 HH21 ARG A 62 -3.591 10.840 7.628 1.00 0.11 H new ATOM 0 HH22 ARG A 62 -4.914 10.618 6.478 1.00 0.11 H new ATOM 1078 N LYS A 63 -0.888 3.735 9.563 1.00 72.14 N ATOM 1079 CA LYS A 63 -1.240 2.331 9.904 1.00 1.32 C ATOM 1080 C LYS A 63 0.011 1.617 10.415 1.00 63.53 C ATOM 1081 O LYS A 63 -0.017 0.880 11.399 1.00 72.23 O ATOM 1082 CB LYS A 63 -1.768 1.587 8.624 1.00 1.44 C ATOM 1083 CG LYS A 63 -2.986 0.675 8.823 1.00 4.32 C ATOM 1084 CD LYS A 63 -4.250 1.466 9.219 1.00 64.15 C ATOM 1085 CE LYS A 63 -5.521 0.608 9.151 1.00 72.23 C ATOM 1086 NZ LYS A 63 -6.731 1.378 9.531 1.00 31.42 N ATOM 0 H LYS A 63 -0.803 3.895 8.559 1.00 72.14 H new ATOM 0 HA LYS A 63 -2.016 2.327 10.669 1.00 1.32 H new ATOM 0 HB2 LYS A 63 -2.020 2.335 7.873 1.00 1.44 H new ATOM 0 HB3 LYS A 63 -0.954 0.987 8.216 1.00 1.44 H new ATOM 0 HG2 LYS A 63 -3.179 0.123 7.903 1.00 4.32 H new ATOM 0 HG3 LYS A 63 -2.764 -0.061 9.595 1.00 4.32 H new ATOM 0 HD2 LYS A 63 -4.131 1.854 10.230 1.00 64.15 H new ATOM 0 HD3 LYS A 63 -4.359 2.326 8.558 1.00 64.15 H new ATOM 0 HE2 LYS A 63 -5.642 0.218 8.140 1.00 72.23 H new ATOM 0 HE3 LYS A 63 -5.415 -0.251 9.814 1.00 72.23 H new ATOM 0 HZ1 LYS A 63 -7.567 0.762 9.472 1.00 31.42 H new ATOM 0 HZ2 LYS A 63 -6.628 1.729 10.505 1.00 31.42 H new ATOM 0 HZ3 LYS A 63 -6.848 2.183 8.883 1.00 31.42 H new ATOM 1100 N VAL A 64 1.103 1.876 9.690 1.00 4.44 N ATOM 1101 CA VAL A 64 2.422 1.335 9.948 1.00 43.54 C ATOM 1102 C VAL A 64 3.473 2.428 9.626 1.00 44.35 C ATOM 1103 O VAL A 64 3.948 2.542 8.490 1.00 52.02 O ATOM 1104 CB VAL A 64 2.660 -0.018 9.161 1.00 73.11 C ATOM 1105 CG1 VAL A 64 2.279 0.077 7.660 1.00 34.14 C ATOM 1106 CG2 VAL A 64 4.106 -0.545 9.380 1.00 15.25 C ATOM 0 H VAL A 64 1.082 2.493 8.878 1.00 4.44 H new ATOM 0 HA VAL A 64 2.520 1.068 11.000 1.00 43.54 H new ATOM 0 HB VAL A 64 1.977 -0.756 9.582 1.00 73.11 H new ATOM 0 HG11 VAL A 64 2.465 -0.882 7.176 1.00 34.14 H new ATOM 0 HG12 VAL A 64 1.223 0.331 7.568 1.00 34.14 H new ATOM 0 HG13 VAL A 64 2.881 0.849 7.180 1.00 34.14 H new ATOM 0 HG21 VAL A 64 4.242 -1.475 8.828 1.00 15.25 H new ATOM 0 HG22 VAL A 64 4.821 0.196 9.023 1.00 15.25 H new ATOM 0 HG23 VAL A 64 4.270 -0.726 10.442 1.00 15.25 H new ATOM 1116 N PRO A 65 3.797 3.315 10.636 1.00 51.01 N ATOM 1117 CA PRO A 65 4.866 4.345 10.505 1.00 33.40 C ATOM 1118 C PRO A 65 6.267 3.720 10.317 1.00 22.35 C ATOM 1119 O PRO A 65 7.192 4.373 9.818 1.00 30.44 O ATOM 1120 CB PRO A 65 4.764 5.136 11.844 1.00 61.50 C ATOM 1121 CG PRO A 65 4.102 4.193 12.796 1.00 20.50 C ATOM 1122 CD PRO A 65 3.112 3.420 11.959 1.00 21.23 C ATOM 0 HA PRO A 65 4.734 4.973 9.624 1.00 33.40 H new ATOM 0 HB2 PRO A 65 5.749 5.434 12.203 1.00 61.50 H new ATOM 0 HB3 PRO A 65 4.180 6.048 11.721 1.00 61.50 H new ATOM 0 HG2 PRO A 65 4.829 3.528 13.261 1.00 20.50 H new ATOM 0 HG3 PRO A 65 3.602 4.732 13.601 1.00 20.50 H new ATOM 0 HD2 PRO A 65 2.904 2.438 12.384 1.00 21.23 H new ATOM 0 HD3 PRO A 65 2.158 3.941 11.879 1.00 21.23 H new ATOM 1130 N ASN A 66 6.397 2.444 10.720 1.00 23.40 N ATOM 1131 CA ASN A 66 7.660 1.695 10.642 1.00 4.53 C ATOM 1132 C ASN A 66 7.875 1.051 9.260 1.00 13.11 C ATOM 1133 O ASN A 66 8.943 0.486 9.009 1.00 23.45 O ATOM 1134 CB ASN A 66 7.712 0.634 11.769 1.00 51.24 C ATOM 1135 CG ASN A 66 7.795 1.266 13.165 1.00 42.15 C ATOM 1136 OD1 ASN A 66 8.884 1.525 13.674 1.00 43.25 O ATOM 1137 ND2 ASN A 66 6.649 1.528 13.780 1.00 60.00 N ATOM 0 H ASN A 66 5.625 1.903 11.110 1.00 23.40 H new ATOM 0 HA ASN A 66 8.477 2.403 10.781 1.00 4.53 H new ATOM 0 HB2 ASN A 66 6.825 0.003 11.711 1.00 51.24 H new ATOM 0 HB3 ASN A 66 8.575 -0.014 11.615 1.00 51.24 H new ATOM 0 HD21 ASN A 66 6.653 1.958 14.705 1.00 60.00 H new ATOM 0 HD22 ASN A 66 5.764 1.300 13.328 1.00 60.00 H new ATOM 1144 N ALA A 67 6.874 1.131 8.359 1.00 2.54 N ATOM 1145 CA ALA A 67 7.035 0.669 6.969 1.00 71.15 C ATOM 1146 C ALA A 67 7.714 1.753 6.132 1.00 44.52 C ATOM 1147 O ALA A 67 7.374 2.938 6.254 1.00 42.42 O ATOM 1148 CB ALA A 67 5.689 0.291 6.333 1.00 40.22 C ATOM 0 H ALA A 67 5.951 1.510 8.570 1.00 2.54 H new ATOM 0 HA ALA A 67 7.658 -0.225 6.990 1.00 71.15 H new ATOM 0 HB1 ALA A 67 5.852 -0.044 5.309 1.00 40.22 H new ATOM 0 HB2 ALA A 67 5.227 -0.511 6.908 1.00 40.22 H new ATOM 0 HB3 ALA A 67 5.031 1.160 6.330 1.00 40.22 H new ATOM 1154 N ARG A 68 8.683 1.350 5.297 1.00 13.44 N ATOM 1155 CA ARG A 68 9.252 2.232 4.280 1.00 13.03 C ATOM 1156 C ARG A 68 8.218 2.357 3.144 1.00 72.10 C ATOM 1157 O ARG A 68 8.038 1.426 2.358 1.00 32.05 O ATOM 1158 CB ARG A 68 10.599 1.660 3.759 1.00 72.15 C ATOM 1159 CG ARG A 68 11.311 2.542 2.708 1.00 1.22 C ATOM 1160 CD ARG A 68 11.819 3.874 3.299 1.00 61.23 C ATOM 1161 NE ARG A 68 12.478 4.727 2.291 1.00 22.32 N ATOM 1162 CZ ARG A 68 13.385 5.690 2.559 1.00 1.51 C ATOM 1163 NH1 ARG A 68 13.779 5.930 3.812 1.00 22.15 N ATOM 1164 NH2 ARG A 68 13.864 6.437 1.571 1.00 33.11 N ATOM 0 H ARG A 68 9.087 0.414 5.310 1.00 13.44 H new ATOM 0 HA ARG A 68 9.465 3.216 4.696 1.00 13.03 H new ATOM 0 HB2 ARG A 68 11.269 1.516 4.607 1.00 72.15 H new ATOM 0 HB3 ARG A 68 10.417 0.677 3.325 1.00 72.15 H new ATOM 0 HG2 ARG A 68 12.152 1.991 2.286 1.00 1.22 H new ATOM 0 HG3 ARG A 68 10.624 2.751 1.888 1.00 1.22 H new ATOM 0 HD2 ARG A 68 10.981 4.416 3.737 1.00 61.23 H new ATOM 0 HD3 ARG A 68 12.520 3.665 4.107 1.00 61.23 H new ATOM 0 HE ARG A 68 12.228 4.577 1.314 1.00 22.32 H new ATOM 0 HH11 ARG A 68 13.394 5.382 4.581 1.00 22.15 H new ATOM 0 HH12 ARG A 68 14.465 6.661 4.000 1.00 22.15 H new ATOM 0 HH21 ARG A 68 13.546 6.282 0.614 1.00 33.11 H new ATOM 0 HH22 ARG A 68 14.550 7.166 1.769 1.00 33.11 H new ATOM 1178 N VAL A 69 7.504 3.486 3.111 1.00 11.30 N ATOM 1179 CA VAL A 69 6.472 3.755 2.102 1.00 34.21 C ATOM 1180 C VAL A 69 7.108 4.518 0.930 1.00 70.14 C ATOM 1181 O VAL A 69 7.730 5.569 1.126 1.00 44.24 O ATOM 1182 CB VAL A 69 5.275 4.573 2.719 1.00 3.53 C ATOM 1183 CG1 VAL A 69 4.205 4.891 1.650 1.00 53.24 C ATOM 1184 CG2 VAL A 69 4.656 3.822 3.930 1.00 13.13 C ATOM 0 H VAL A 69 7.625 4.242 3.785 1.00 11.30 H new ATOM 0 HA VAL A 69 6.066 2.809 1.743 1.00 34.21 H new ATOM 0 HB VAL A 69 5.669 5.522 3.081 1.00 3.53 H new ATOM 0 HG11 VAL A 69 3.392 5.456 2.106 1.00 53.24 H new ATOM 0 HG12 VAL A 69 4.653 5.481 0.851 1.00 53.24 H new ATOM 0 HG13 VAL A 69 3.814 3.960 1.238 1.00 53.24 H new ATOM 0 HG21 VAL A 69 3.832 4.407 4.338 1.00 13.13 H new ATOM 0 HG22 VAL A 69 4.285 2.850 3.604 1.00 13.13 H new ATOM 0 HG23 VAL A 69 5.416 3.681 4.698 1.00 13.13 H new ATOM 1194 N ARG A 70 6.973 3.959 -0.280 1.00 21.12 N ATOM 1195 CA ARG A 70 7.547 4.530 -1.498 1.00 30.14 C ATOM 1196 C ARG A 70 6.398 5.075 -2.361 1.00 54.20 C ATOM 1197 O ARG A 70 5.641 4.303 -2.961 1.00 0.50 O ATOM 1198 CB ARG A 70 8.379 3.437 -2.255 1.00 51.51 C ATOM 1199 CG ARG A 70 9.618 3.954 -3.034 1.00 14.41 C ATOM 1200 CD ARG A 70 9.283 4.945 -4.164 1.00 14.24 C ATOM 1201 NE ARG A 70 10.484 5.418 -4.870 1.00 41.53 N ATOM 1202 CZ ARG A 70 10.551 6.515 -5.646 1.00 23.40 C ATOM 1203 NH1 ARG A 70 9.480 7.293 -5.841 1.00 55.12 N ATOM 1204 NH2 ARG A 70 11.700 6.815 -6.245 1.00 44.11 N ATOM 0 H ARG A 70 6.459 3.093 -0.438 1.00 21.12 H new ATOM 0 HA ARG A 70 8.228 5.348 -1.262 1.00 30.14 H new ATOM 0 HB2 ARG A 70 8.712 2.694 -1.531 1.00 51.51 H new ATOM 0 HB3 ARG A 70 7.720 2.925 -2.956 1.00 51.51 H new ATOM 0 HG2 ARG A 70 10.299 4.436 -2.333 1.00 14.41 H new ATOM 0 HG3 ARG A 70 10.148 3.102 -3.459 1.00 14.41 H new ATOM 0 HD2 ARG A 70 8.611 4.466 -4.876 1.00 14.24 H new ATOM 0 HD3 ARG A 70 8.749 5.800 -3.748 1.00 14.24 H new ATOM 0 HE ARG A 70 11.337 4.869 -4.762 1.00 41.53 H new ATOM 0 HH11 ARG A 70 8.592 7.059 -5.398 1.00 55.12 H new ATOM 0 HH12 ARG A 70 9.552 8.120 -6.433 1.00 55.12 H new ATOM 0 HH21 ARG A 70 12.515 6.217 -6.113 1.00 44.11 H new ATOM 0 HH22 ARG A 70 11.766 7.644 -6.836 1.00 44.11 H new ATOM 1218 N GLU A 71 6.272 6.411 -2.377 1.00 52.31 N ATOM 1219 CA GLU A 71 5.334 7.121 -3.256 1.00 61.01 C ATOM 1220 C GLU A 71 5.982 7.213 -4.650 1.00 30.14 C ATOM 1221 O GLU A 71 6.942 7.968 -4.843 1.00 65.45 O ATOM 1222 CB GLU A 71 5.077 8.547 -2.686 1.00 42.01 C ATOM 1223 CG GLU A 71 4.536 8.609 -1.245 1.00 43.42 C ATOM 1224 CD GLU A 71 4.519 10.046 -0.673 1.00 64.01 C ATOM 1225 OE1 GLU A 71 3.535 10.782 -0.893 1.00 3.01 O ATOM 1226 OE2 GLU A 71 5.501 10.454 -0.017 1.00 41.23 O ATOM 0 H GLU A 71 6.820 7.029 -1.779 1.00 52.31 H new ATOM 0 HA GLU A 71 4.381 6.596 -3.319 1.00 61.01 H new ATOM 0 HB2 GLU A 71 6.011 9.107 -2.727 1.00 42.01 H new ATOM 0 HB3 GLU A 71 4.370 9.057 -3.341 1.00 42.01 H new ATOM 0 HG2 GLU A 71 3.525 8.202 -1.223 1.00 43.42 H new ATOM 0 HG3 GLU A 71 5.149 7.975 -0.604 1.00 43.42 H new ATOM 1233 N THR A 72 5.474 6.425 -5.606 1.00 71.51 N ATOM 1234 CA THR A 72 6.106 6.281 -6.921 1.00 62.24 C ATOM 1235 C THR A 72 5.190 6.855 -8.006 1.00 31.24 C ATOM 1236 O THR A 72 4.079 6.364 -8.202 1.00 42.50 O ATOM 1237 CB THR A 72 6.418 4.770 -7.232 1.00 50.32 C ATOM 1238 OG1 THR A 72 6.766 4.072 -6.021 1.00 22.23 O ATOM 1239 CG2 THR A 72 7.575 4.628 -8.235 1.00 24.30 C ATOM 0 H THR A 72 4.623 5.875 -5.491 1.00 71.51 H new ATOM 0 HA THR A 72 7.046 6.832 -6.911 1.00 62.24 H new ATOM 0 HB THR A 72 5.518 4.337 -7.669 1.00 50.32 H new ATOM 0 HG1 THR A 72 5.953 3.885 -5.506 1.00 22.23 H new ATOM 0 HG21 THR A 72 7.763 3.572 -8.426 1.00 24.30 H new ATOM 0 HG22 THR A 72 7.310 5.124 -9.169 1.00 24.30 H new ATOM 0 HG23 THR A 72 8.473 5.087 -7.822 1.00 24.30 H new ATOM 1247 N GLU A 73 5.651 7.928 -8.669 1.00 3.45 N ATOM 1248 CA GLU A 73 5.020 8.447 -9.891 1.00 13.21 C ATOM 1249 C GLU A 73 5.882 8.021 -11.084 1.00 35.40 C ATOM 1250 O GLU A 73 7.102 8.212 -11.056 1.00 43.44 O ATOM 1251 CB GLU A 73 4.886 9.996 -9.883 1.00 62.21 C ATOM 1252 CG GLU A 73 4.058 10.600 -8.730 1.00 42.33 C ATOM 1253 CD GLU A 73 4.753 10.528 -7.356 1.00 12.15 C ATOM 1254 OE1 GLU A 73 5.822 11.156 -7.198 1.00 21.13 O ATOM 1255 OE2 GLU A 73 4.242 9.844 -6.434 1.00 42.40 O ATOM 0 H GLU A 73 6.470 8.459 -8.373 1.00 3.45 H new ATOM 0 HA GLU A 73 4.011 8.040 -9.955 1.00 13.21 H new ATOM 0 HB2 GLU A 73 5.887 10.427 -9.849 1.00 62.21 H new ATOM 0 HB3 GLU A 73 4.437 10.306 -10.827 1.00 62.21 H new ATOM 0 HG2 GLU A 73 3.839 11.642 -8.961 1.00 42.33 H new ATOM 0 HG3 GLU A 73 3.102 10.079 -8.670 1.00 42.33 H new ATOM 1262 N THR A 74 5.262 7.410 -12.107 1.00 65.11 N ATOM 1263 CA THR A 74 5.950 7.138 -13.381 1.00 53.02 C ATOM 1264 C THR A 74 6.002 8.439 -14.211 1.00 64.05 C ATOM 1265 O THR A 74 5.022 9.190 -14.246 1.00 51.10 O ATOM 1266 CB THR A 74 5.235 6.010 -14.192 1.00 2.51 C ATOM 1267 OG1 THR A 74 4.957 4.902 -13.326 1.00 1.13 O ATOM 1268 CG2 THR A 74 6.076 5.511 -15.390 1.00 44.51 C ATOM 0 H THR A 74 4.292 7.097 -12.078 1.00 65.11 H new ATOM 0 HA THR A 74 6.960 6.792 -13.163 1.00 53.02 H new ATOM 0 HB THR A 74 4.314 6.436 -14.590 1.00 2.51 H new ATOM 0 HG1 THR A 74 4.290 4.319 -13.745 1.00 1.13 H new ATOM 0 HG21 THR A 74 5.530 4.728 -15.917 1.00 44.51 H new ATOM 0 HG22 THR A 74 6.268 6.341 -16.071 1.00 44.51 H new ATOM 0 HG23 THR A 74 7.024 5.112 -15.028 1.00 44.51 H new