USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 585 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 28 HIS : no HD1:sc= -0.678 K(o=-1.2,f=0.5) USER MOD Set 1.2: A 53 TYR OH : rot 30:sc= -0.55 USER MOD Set 2.1: A 9 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0731 USER MOD Single : A 10 ASN : amide:sc= -0.0115 X(o=-0.012,f=0) USER MOD Single : A 13 MET CE :methyl -123:sc= -2.25 (180deg=-3.92!) USER MOD Single : A 16 GLN : amide:sc= -0.636 K(o=-0.64,f=-1.8!) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 19 ASN : amide:sc= -0.0287 X(o=-0.029,f=-0.19) USER MOD Single : A 20 THR OG1 : rot -73:sc= 1.21 USER MOD Single : A 33 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0888) USER MOD Single : A 42 HIS : no HE2:sc= -0.0364 K(o=-0.036,f=-7.6!) USER MOD Single : A 43 GLN : amide:sc= -2.27! K(o=-2.3!,f=-0.79) USER MOD Single : A 48 TYR OH : rot -119:sc= 0.339 USER MOD Single : A 50 MET CE :methyl 155:sc= -0.129 (180deg=-0.819) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.0722 X(o=-0.072,f=-0.052) USER MOD Single : A 61 THR OG1 : rot 86:sc= 0.971 USER MOD Single : A 62 THR OG1 : rot 77:sc= -0.0115 USER MOD Single : A 63 ASN : amide:sc= -0.768 K(o=-0.77,f=-2.3!) USER MOD Single : A 67 SER OG : rot 80:sc= 0.454 USER MOD Single : A 69 TYR OH : rot 30:sc= -0.878 USER MOD Single : A 70 MET CE :methyl -164:sc= -0.0677 (180deg=-0.462) USER MOD Single : A 72 ASN : amide:sc= -0.734 K(o=-0.73,f=-2!) USER MOD Single : A 75 HIS : no HD1:sc= -0.957 K(o=-0.96,f=0.18) USER MOD Single : A 76 HIS : no HD1:sc= -0.317 K(o=-0.32,f=-0.86) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 49 N PRO A 5 8.735 -8.291 -3.817 1.00 20.22 N ATOM 50 CA PRO A 5 7.583 -7.833 -4.622 1.00 21.54 C ATOM 51 C PRO A 5 7.506 -6.301 -4.762 1.00 20.01 C ATOM 52 O PRO A 5 7.537 -5.772 -5.873 1.00 24.11 O ATOM 53 CB PRO A 5 6.369 -8.366 -3.841 1.00 35.13 C ATOM 54 CG PRO A 5 6.898 -9.529 -3.073 1.00 21.21 C ATOM 55 CD PRO A 5 8.311 -9.160 -2.702 1.00 30.11 C ATOM 0 HA PRO A 5 7.647 -8.194 -5.648 1.00 21.54 H new ATOM 0 HB2 PRO A 5 5.960 -7.605 -3.176 1.00 35.13 H new ATOM 0 HB3 PRO A 5 5.566 -8.667 -4.514 1.00 35.13 H new ATOM 0 HG2 PRO A 5 6.296 -9.718 -2.184 1.00 21.21 H new ATOM 0 HG3 PRO A 5 6.875 -10.438 -3.673 1.00 21.21 H new ATOM 0 HD2 PRO A 5 8.353 -8.638 -1.746 1.00 30.11 H new ATOM 0 HD3 PRO A 5 8.947 -10.041 -2.613 1.00 30.11 H new ATOM 63 N MET A 6 7.395 -5.597 -3.629 1.00 63.32 N ATOM 64 CA MET A 6 7.325 -4.123 -3.620 1.00 60.21 C ATOM 65 C MET A 6 6.210 -3.589 -4.544 1.00 12.10 C ATOM 66 O MET A 6 6.304 -2.480 -5.071 1.00 50.44 O ATOM 67 CB MET A 6 8.687 -3.530 -4.024 1.00 12.55 C ATOM 68 CG MET A 6 9.830 -3.926 -3.094 1.00 50.11 C ATOM 69 SD MET A 6 11.406 -3.173 -3.554 1.00 44.13 S ATOM 70 CE MET A 6 12.474 -3.811 -2.260 1.00 12.23 C ATOM 0 H MET A 6 7.351 -6.022 -2.703 1.00 63.32 H new ATOM 0 HA MET A 6 7.080 -3.810 -2.605 1.00 60.21 H new ATOM 0 HB2 MET A 6 8.927 -3.852 -5.037 1.00 12.55 H new ATOM 0 HB3 MET A 6 8.608 -2.443 -4.045 1.00 12.55 H new ATOM 0 HG2 MET A 6 9.579 -3.635 -2.074 1.00 50.11 H new ATOM 0 HG3 MET A 6 9.936 -5.011 -3.099 1.00 50.11 H new ATOM 0 HE1 MET A 6 13.487 -3.435 -2.405 1.00 12.23 H new ATOM 0 HE2 MET A 6 12.102 -3.486 -1.288 1.00 12.23 H new ATOM 0 HE3 MET A 6 12.483 -4.900 -2.300 1.00 12.23 H new ATOM 80 N THR A 7 5.142 -4.375 -4.703 1.00 33.13 N ATOM 81 CA THR A 7 4.017 -4.011 -5.586 1.00 54.23 C ATOM 82 C THR A 7 3.455 -2.623 -5.252 1.00 22.12 C ATOM 83 O THR A 7 3.266 -1.785 -6.136 1.00 0.14 O ATOM 84 CB THR A 7 2.868 -5.045 -5.491 1.00 24.21 C ATOM 85 OG1 THR A 7 2.374 -5.110 -4.143 1.00 74.24 O ATOM 86 CG2 THR A 7 3.338 -6.430 -5.926 1.00 64.22 C ATOM 0 H THR A 7 5.027 -5.272 -4.232 1.00 33.13 H new ATOM 0 HA THR A 7 4.417 -4.000 -6.600 1.00 54.23 H new ATOM 0 HB THR A 7 2.070 -4.723 -6.160 1.00 24.21 H new ATOM 0 HG1 THR A 7 1.647 -5.765 -4.092 1.00 74.24 H new ATOM 0 HG21 THR A 7 2.511 -7.136 -5.849 1.00 64.22 H new ATOM 0 HG22 THR A 7 3.685 -6.389 -6.958 1.00 64.22 H new ATOM 0 HG23 THR A 7 4.154 -6.756 -5.282 1.00 64.22 H new ATOM 94 N PHE A 8 3.193 -2.388 -3.969 1.00 61.32 N ATOM 95 CA PHE A 8 2.720 -1.082 -3.489 1.00 63.50 C ATOM 96 C PHE A 8 3.646 0.060 -3.946 1.00 54.30 C ATOM 97 O PHE A 8 3.181 1.126 -4.355 1.00 1.43 O ATOM 98 CB PHE A 8 2.621 -1.097 -1.957 1.00 20.21 C ATOM 99 CG PHE A 8 2.290 0.243 -1.344 1.00 31.55 C ATOM 100 CD1 PHE A 8 0.996 0.739 -1.380 1.00 75.23 C ATOM 101 CD2 PHE A 8 3.278 1.006 -0.731 1.00 53.35 C ATOM 102 CE1 PHE A 8 0.694 1.966 -0.822 1.00 23.13 C ATOM 103 CE2 PHE A 8 2.979 2.232 -0.172 1.00 71.44 C ATOM 104 CZ PHE A 8 1.685 2.713 -0.217 1.00 55.43 C ATOM 0 H PHE A 8 3.300 -3.087 -3.234 1.00 61.32 H new ATOM 0 HA PHE A 8 1.735 -0.902 -3.919 1.00 63.50 H new ATOM 0 HB2 PHE A 8 1.859 -1.818 -1.661 1.00 20.21 H new ATOM 0 HB3 PHE A 8 3.568 -1.448 -1.546 1.00 20.21 H new ATOM 0 HD1 PHE A 8 0.215 0.159 -1.850 1.00 75.23 H new ATOM 0 HD2 PHE A 8 4.291 0.635 -0.692 1.00 53.35 H new ATOM 0 HE1 PHE A 8 -0.318 2.341 -0.859 1.00 23.13 H new ATOM 0 HE2 PHE A 8 3.756 2.815 0.300 1.00 71.44 H new ATOM 0 HZ PHE A 8 1.449 3.672 0.220 1.00 55.43 H new ATOM 114 N TYR A 9 4.955 -0.184 -3.885 1.00 65.31 N ATOM 115 CA TYR A 9 5.957 0.814 -4.277 1.00 44.54 C ATOM 116 C TYR A 9 5.785 1.217 -5.751 1.00 20.31 C ATOM 117 O TYR A 9 5.623 2.395 -6.065 1.00 43.40 O ATOM 118 CB TYR A 9 7.370 0.260 -4.032 1.00 10.31 C ATOM 119 CG TYR A 9 8.490 1.268 -4.227 1.00 14.45 C ATOM 120 CD1 TYR A 9 8.909 2.080 -3.177 1.00 61.51 C ATOM 121 CD2 TYR A 9 9.142 1.395 -5.451 1.00 65.12 C ATOM 122 CE1 TYR A 9 9.938 2.987 -3.342 1.00 12.02 C ATOM 123 CE2 TYR A 9 10.174 2.298 -5.621 1.00 34.35 C ATOM 124 CZ TYR A 9 10.569 3.092 -4.566 1.00 43.11 C ATOM 125 OH TYR A 9 11.603 3.986 -4.730 1.00 24.31 O ATOM 0 H TYR A 9 5.350 -1.069 -3.566 1.00 65.31 H new ATOM 0 HA TYR A 9 5.814 1.706 -3.667 1.00 44.54 H new ATOM 0 HB2 TYR A 9 7.422 -0.128 -3.015 1.00 10.31 H new ATOM 0 HB3 TYR A 9 7.537 -0.582 -4.703 1.00 10.31 H new ATOM 0 HD1 TYR A 9 8.421 2.000 -2.217 1.00 61.51 H new ATOM 0 HD2 TYR A 9 8.836 0.777 -6.282 1.00 65.12 H new ATOM 0 HE1 TYR A 9 10.248 3.611 -2.517 1.00 12.02 H new ATOM 0 HE2 TYR A 9 10.669 2.381 -6.577 1.00 34.35 H new ATOM 0 HH TYR A 9 11.938 3.934 -5.650 1.00 24.31 H new ATOM 135 N ASN A 10 5.804 0.227 -6.647 1.00 31.40 N ATOM 136 CA ASN A 10 5.626 0.477 -8.086 1.00 31.12 C ATOM 137 C ASN A 10 4.276 1.162 -8.376 1.00 31.44 C ATOM 138 O ASN A 10 4.176 2.026 -9.251 1.00 63.33 O ATOM 139 CB ASN A 10 5.735 -0.841 -8.869 1.00 72.02 C ATOM 140 CG ASN A 10 5.652 -0.638 -10.375 1.00 31.33 C ATOM 141 OD1 ASN A 10 6.656 -0.403 -11.041 1.00 13.23 O ATOM 142 ND2 ASN A 10 4.459 -0.733 -10.927 1.00 52.34 N ATOM 0 H ASN A 10 5.940 -0.755 -6.405 1.00 31.40 H new ATOM 0 HA ASN A 10 6.418 1.152 -8.411 1.00 31.12 H new ATOM 0 HB2 ASN A 10 6.679 -1.328 -8.624 1.00 72.02 H new ATOM 0 HB3 ASN A 10 4.938 -1.514 -8.553 1.00 72.02 H new ATOM 0 HD21 ASN A 10 4.352 -0.610 -11.934 1.00 52.34 H new ATOM 0 HD22 ASN A 10 3.643 -0.929 -10.347 1.00 52.34 H new ATOM 149 N PHE A 11 3.244 0.776 -7.626 1.00 14.30 N ATOM 150 CA PHE A 11 1.904 1.359 -7.774 1.00 53.34 C ATOM 151 C PHE A 11 1.895 2.858 -7.424 1.00 60.03 C ATOM 152 O PHE A 11 1.398 3.684 -8.194 1.00 25.03 O ATOM 153 CB PHE A 11 0.903 0.610 -6.882 1.00 22.42 C ATOM 154 CG PHE A 11 -0.513 1.135 -6.965 1.00 70.43 C ATOM 155 CD1 PHE A 11 -1.365 0.722 -7.982 1.00 74.12 C ATOM 156 CD2 PHE A 11 -0.993 2.039 -6.026 1.00 51.34 C ATOM 157 CE1 PHE A 11 -2.660 1.200 -8.060 1.00 62.13 C ATOM 158 CE2 PHE A 11 -2.288 2.518 -6.101 1.00 74.42 C ATOM 159 CZ PHE A 11 -3.122 2.099 -7.118 1.00 51.33 C ATOM 0 H PHE A 11 3.308 0.058 -6.905 1.00 14.30 H new ATOM 0 HA PHE A 11 1.611 1.256 -8.819 1.00 53.34 H new ATOM 0 HB2 PHE A 11 0.905 -0.444 -7.159 1.00 22.42 H new ATOM 0 HB3 PHE A 11 1.241 0.669 -5.847 1.00 22.42 H new ATOM 0 HD1 PHE A 11 -1.011 0.019 -8.721 1.00 74.12 H new ATOM 0 HD2 PHE A 11 -0.347 2.372 -5.227 1.00 51.34 H new ATOM 0 HE1 PHE A 11 -3.310 0.871 -8.857 1.00 62.13 H new ATOM 0 HE2 PHE A 11 -2.647 3.220 -5.363 1.00 74.42 H new ATOM 0 HZ PHE A 11 -4.133 2.473 -7.177 1.00 51.33 H new ATOM 169 N ILE A 12 2.459 3.205 -6.272 1.00 74.32 N ATOM 170 CA ILE A 12 2.428 4.590 -5.786 1.00 25.14 C ATOM 171 C ILE A 12 3.391 5.505 -6.579 1.00 31.01 C ATOM 172 O ILE A 12 3.257 6.730 -6.553 1.00 21.55 O ATOM 173 CB ILE A 12 2.750 4.647 -4.267 1.00 32.24 C ATOM 174 CG1 ILE A 12 2.441 6.040 -3.686 1.00 35.11 C ATOM 175 CG2 ILE A 12 4.203 4.259 -4.005 1.00 34.12 C ATOM 176 CD1 ILE A 12 0.988 6.453 -3.819 1.00 31.41 C ATOM 0 H ILE A 12 2.943 2.552 -5.655 1.00 74.32 H new ATOM 0 HA ILE A 12 1.417 4.965 -5.945 1.00 25.14 H new ATOM 0 HB ILE A 12 2.109 3.924 -3.762 1.00 32.24 H new ATOM 0 HG12 ILE A 12 2.717 6.052 -2.632 1.00 35.11 H new ATOM 0 HG13 ILE A 12 3.066 6.779 -4.188 1.00 35.11 H new ATOM 0 HG21 ILE A 12 4.405 4.306 -2.935 1.00 34.12 H new ATOM 0 HG22 ILE A 12 4.379 3.245 -4.363 1.00 34.12 H new ATOM 0 HG23 ILE A 12 4.864 4.949 -4.530 1.00 34.12 H new ATOM 0 HD11 ILE A 12 0.851 7.444 -3.387 1.00 31.41 H new ATOM 0 HD12 ILE A 12 0.711 6.475 -4.873 1.00 31.41 H new ATOM 0 HD13 ILE A 12 0.357 5.737 -3.293 1.00 31.41 H new ATOM 188 N MET A 13 4.347 4.904 -7.302 1.00 64.42 N ATOM 189 CA MET A 13 5.294 5.667 -8.141 1.00 11.11 C ATOM 190 C MET A 13 4.577 6.627 -9.112 1.00 72.00 C ATOM 191 O MET A 13 5.061 7.732 -9.372 1.00 54.22 O ATOM 192 CB MET A 13 6.204 4.720 -8.940 1.00 10.00 C ATOM 193 CG MET A 13 7.248 3.977 -8.108 1.00 53.33 C ATOM 194 SD MET A 13 8.459 5.076 -7.333 1.00 55.13 S ATOM 195 CE MET A 13 7.663 5.475 -5.776 1.00 54.13 C ATOM 0 H MET A 13 4.488 3.894 -7.325 1.00 64.42 H new ATOM 0 HA MET A 13 5.897 6.266 -7.458 1.00 11.11 H new ATOM 0 HB2 MET A 13 5.581 3.987 -9.453 1.00 10.00 H new ATOM 0 HB3 MET A 13 6.717 5.296 -9.710 1.00 10.00 H new ATOM 0 HG2 MET A 13 6.742 3.401 -7.333 1.00 53.33 H new ATOM 0 HG3 MET A 13 7.770 3.264 -8.746 1.00 53.33 H new ATOM 0 HE1 MET A 13 7.557 6.556 -5.688 1.00 54.13 H new ATOM 0 HE2 MET A 13 6.678 5.010 -5.741 1.00 54.13 H new ATOM 0 HE3 MET A 13 8.270 5.102 -4.951 1.00 54.13 H new ATOM 205 N GLY A 14 3.431 6.201 -9.643 1.00 41.44 N ATOM 206 CA GLY A 14 2.645 7.055 -10.531 1.00 60.24 C ATOM 207 C GLY A 14 2.198 8.355 -9.863 1.00 61.54 C ATOM 208 O GLY A 14 2.230 9.423 -10.474 1.00 43.15 O ATOM 0 H GLY A 14 3.030 5.278 -9.475 1.00 41.44 H new ATOM 0 HA2 GLY A 14 3.236 7.292 -11.416 1.00 60.24 H new ATOM 0 HA3 GLY A 14 1.767 6.506 -10.871 1.00 60.24 H new ATOM 212 N PHE A 15 1.802 8.259 -8.593 1.00 71.03 N ATOM 213 CA PHE A 15 1.367 9.429 -7.815 1.00 34.33 C ATOM 214 C PHE A 15 2.571 10.266 -7.350 1.00 11.31 C ATOM 215 O PHE A 15 2.413 11.387 -6.859 1.00 54.45 O ATOM 216 CB PHE A 15 0.549 8.976 -6.596 1.00 52.54 C ATOM 217 CG PHE A 15 -0.643 8.116 -6.943 1.00 63.25 C ATOM 218 CD1 PHE A 15 -0.491 6.753 -7.167 1.00 42.44 C ATOM 219 CD2 PHE A 15 -1.913 8.668 -7.046 1.00 54.25 C ATOM 220 CE1 PHE A 15 -1.577 5.961 -7.484 1.00 15.34 C ATOM 221 CE2 PHE A 15 -3.002 7.878 -7.363 1.00 63.22 C ATOM 222 CZ PHE A 15 -2.834 6.524 -7.583 1.00 42.00 C ATOM 0 H PHE A 15 1.772 7.380 -8.076 1.00 71.03 H new ATOM 0 HA PHE A 15 0.746 10.050 -8.460 1.00 34.33 H new ATOM 0 HB2 PHE A 15 1.200 8.422 -5.920 1.00 52.54 H new ATOM 0 HB3 PHE A 15 0.204 9.857 -6.055 1.00 52.54 H new ATOM 0 HD1 PHE A 15 0.490 6.307 -7.092 1.00 42.44 H new ATOM 0 HD2 PHE A 15 -2.051 9.726 -6.877 1.00 54.25 H new ATOM 0 HE1 PHE A 15 -1.443 4.903 -7.654 1.00 15.34 H new ATOM 0 HE2 PHE A 15 -3.985 8.319 -7.439 1.00 63.22 H new ATOM 0 HZ PHE A 15 -3.685 5.907 -7.832 1.00 42.00 H new ATOM 232 N GLN A 16 3.770 9.697 -7.481 1.00 51.11 N ATOM 233 CA GLN A 16 5.017 10.380 -7.116 1.00 65.42 C ATOM 234 C GLN A 16 5.566 11.178 -8.311 1.00 13.13 C ATOM 235 O GLN A 16 6.286 12.164 -8.134 1.00 22.22 O ATOM 236 CB GLN A 16 6.043 9.338 -6.624 1.00 72.22 C ATOM 237 CG GLN A 16 7.316 9.914 -5.994 1.00 24.53 C ATOM 238 CD GLN A 16 8.363 10.343 -7.010 1.00 20.42 C ATOM 239 OE1 GLN A 16 8.457 9.792 -8.100 1.00 31.02 O ATOM 240 NE2 GLN A 16 9.162 11.324 -6.655 1.00 3.11 N ATOM 0 H GLN A 16 3.907 8.753 -7.842 1.00 51.11 H new ATOM 0 HA GLN A 16 4.821 11.088 -6.311 1.00 65.42 H new ATOM 0 HB2 GLN A 16 5.557 8.692 -5.893 1.00 72.22 H new ATOM 0 HB3 GLN A 16 6.328 8.708 -7.467 1.00 72.22 H new ATOM 0 HG2 GLN A 16 7.049 10.772 -5.377 1.00 24.53 H new ATOM 0 HG3 GLN A 16 7.752 9.167 -5.330 1.00 24.53 H new ATOM 0 HE21 GLN A 16 9.057 11.761 -5.740 1.00 3.11 H new ATOM 0 HE22 GLN A 16 9.887 11.648 -7.295 1.00 3.11 H new ATOM 249 N ASN A 17 5.211 10.744 -9.524 1.00 23.04 N ATOM 250 CA ASN A 17 5.630 11.423 -10.755 1.00 53.40 C ATOM 251 C ASN A 17 5.235 12.910 -10.722 1.00 14.41 C ATOM 252 O ASN A 17 6.094 13.795 -10.769 1.00 53.41 O ATOM 253 CB ASN A 17 5.005 10.727 -11.971 1.00 20.55 C ATOM 254 CG ASN A 17 5.551 11.260 -13.280 1.00 63.41 C ATOM 255 OD1 ASN A 17 5.017 12.204 -13.851 1.00 43.13 O ATOM 256 ND2 ASN A 17 6.616 10.657 -13.766 1.00 72.14 N ATOM 0 H ASN A 17 4.631 9.920 -9.681 1.00 23.04 H new ATOM 0 HA ASN A 17 6.716 11.366 -10.833 1.00 53.40 H new ATOM 0 HB2 ASN A 17 5.194 9.655 -11.910 1.00 20.55 H new ATOM 0 HB3 ASN A 17 3.924 10.862 -11.949 1.00 20.55 H new ATOM 0 HD21 ASN A 17 7.024 10.973 -14.646 1.00 72.14 H new ATOM 0 HD22 ASN A 17 7.033 9.874 -13.262 1.00 72.14 H new ATOM 263 N ASP A 18 3.932 13.174 -10.651 1.00 34.54 N ATOM 264 CA ASP A 18 3.430 14.522 -10.384 1.00 24.43 C ATOM 265 C ASP A 18 3.147 14.677 -8.880 1.00 53.11 C ATOM 266 O ASP A 18 2.335 13.949 -8.312 1.00 53.44 O ATOM 267 CB ASP A 18 2.178 14.818 -11.227 1.00 23.15 C ATOM 268 CG ASP A 18 1.091 13.767 -11.081 1.00 2.45 C ATOM 269 OD1 ASP A 18 1.296 12.628 -11.555 1.00 42.42 O ATOM 270 OD2 ASP A 18 0.020 14.083 -10.520 1.00 72.03 O ATOM 0 H ASP A 18 3.203 12.472 -10.775 1.00 34.54 H new ATOM 0 HA ASP A 18 4.189 15.250 -10.670 1.00 24.43 H new ATOM 0 HB2 ASP A 18 1.776 15.789 -10.938 1.00 23.15 H new ATOM 0 HB3 ASP A 18 2.464 14.891 -12.276 1.00 23.15 H new ATOM 275 N ASN A 19 3.834 15.623 -8.242 1.00 30.41 N ATOM 276 CA ASN A 19 3.837 15.730 -6.778 1.00 71.44 C ATOM 277 C ASN A 19 2.438 15.971 -6.185 1.00 62.44 C ATOM 278 O ASN A 19 1.966 17.106 -6.084 1.00 1.11 O ATOM 279 CB ASN A 19 4.804 16.830 -6.336 1.00 13.24 C ATOM 280 CG ASN A 19 6.202 16.592 -6.875 1.00 22.53 C ATOM 281 OD1 ASN A 19 6.556 17.067 -7.947 1.00 70.04 O ATOM 282 ND2 ASN A 19 6.998 15.833 -6.153 1.00 70.44 N ATOM 0 H ASN A 19 4.398 16.330 -8.714 1.00 30.41 H new ATOM 0 HA ASN A 19 4.172 14.768 -6.391 1.00 71.44 H new ATOM 0 HB2 ASN A 19 4.439 17.797 -6.682 1.00 13.24 H new ATOM 0 HB3 ASN A 19 4.835 16.872 -5.247 1.00 13.24 H new ATOM 0 HD21 ASN A 19 7.941 15.625 -6.482 1.00 70.44 H new ATOM 0 HD22 ASN A 19 6.672 15.453 -5.264 1.00 70.44 H new ATOM 289 N THR A 20 1.779 14.877 -5.809 1.00 12.43 N ATOM 290 CA THR A 20 0.476 14.926 -5.136 1.00 34.21 C ATOM 291 C THR A 20 0.635 14.760 -3.615 1.00 22.41 C ATOM 292 O THR A 20 1.626 14.189 -3.153 1.00 65.51 O ATOM 293 CB THR A 20 -0.461 13.804 -5.652 1.00 31.12 C ATOM 294 OG1 THR A 20 0.118 12.515 -5.390 1.00 74.24 O ATOM 295 CG2 THR A 20 -0.734 13.952 -7.144 1.00 41.13 C ATOM 0 H THR A 20 2.130 13.931 -5.960 1.00 12.43 H new ATOM 0 HA THR A 20 0.040 15.900 -5.358 1.00 34.21 H new ATOM 0 HB THR A 20 -1.409 13.891 -5.121 1.00 31.12 H new ATOM 0 HG1 THR A 20 0.865 12.361 -6.005 1.00 74.24 H new ATOM 0 HG21 THR A 20 -1.394 13.150 -7.474 1.00 41.13 H new ATOM 0 HG22 THR A 20 -1.210 14.914 -7.333 1.00 41.13 H new ATOM 0 HG23 THR A 20 0.206 13.898 -7.693 1.00 41.13 H new ATOM 303 N PRO A 21 -0.343 15.235 -2.810 1.00 14.13 N ATOM 304 CA PRO A 21 -0.317 15.057 -1.342 1.00 10.12 C ATOM 305 C PRO A 21 -0.212 13.576 -0.938 1.00 53.50 C ATOM 306 O PRO A 21 0.243 13.242 0.157 1.00 0.12 O ATOM 307 CB PRO A 21 -1.659 15.659 -0.875 1.00 1.12 C ATOM 308 CG PRO A 21 -2.502 15.750 -2.110 1.00 62.20 C ATOM 309 CD PRO A 21 -1.539 15.984 -3.244 1.00 34.44 C ATOM 0 HA PRO A 21 0.551 15.536 -0.889 1.00 10.12 H new ATOM 0 HB2 PRO A 21 -2.132 15.029 -0.122 1.00 1.12 H new ATOM 0 HB3 PRO A 21 -1.514 16.641 -0.424 1.00 1.12 H new ATOM 0 HG2 PRO A 21 -3.072 14.834 -2.263 1.00 62.20 H new ATOM 0 HG3 PRO A 21 -3.222 16.565 -2.033 1.00 62.20 H new ATOM 0 HD2 PRO A 21 -1.929 15.611 -4.191 1.00 34.44 H new ATOM 0 HD3 PRO A 21 -1.326 17.044 -3.382 1.00 34.44 H new ATOM 317 N PHE A 22 -0.632 12.695 -1.843 1.00 52.50 N ATOM 318 CA PHE A 22 -0.524 11.250 -1.638 1.00 14.35 C ATOM 319 C PHE A 22 0.860 10.745 -2.084 1.00 40.40 C ATOM 320 O PHE A 22 1.455 9.876 -1.445 1.00 55.33 O ATOM 321 CB PHE A 22 -1.627 10.529 -2.423 1.00 20.12 C ATOM 322 CG PHE A 22 -3.004 11.109 -2.202 1.00 73.22 C ATOM 323 CD1 PHE A 22 -3.642 10.979 -0.977 1.00 4.24 C ATOM 324 CD2 PHE A 22 -3.660 11.786 -3.221 1.00 61.32 C ATOM 325 CE1 PHE A 22 -4.900 11.510 -0.774 1.00 24.41 C ATOM 326 CE2 PHE A 22 -4.919 12.317 -3.021 1.00 62.30 C ATOM 327 CZ PHE A 22 -5.539 12.179 -1.797 1.00 12.03 C ATOM 0 H PHE A 22 -1.054 12.958 -2.733 1.00 52.50 H new ATOM 0 HA PHE A 22 -0.644 11.037 -0.576 1.00 14.35 H new ATOM 0 HB2 PHE A 22 -1.391 10.570 -3.486 1.00 20.12 H new ATOM 0 HB3 PHE A 22 -1.635 9.477 -2.139 1.00 20.12 H new ATOM 0 HD1 PHE A 22 -3.148 10.456 -0.172 1.00 4.24 H new ATOM 0 HD2 PHE A 22 -3.180 11.899 -4.182 1.00 61.32 H new ATOM 0 HE1 PHE A 22 -5.384 11.402 0.186 1.00 24.41 H new ATOM 0 HE2 PHE A 22 -5.418 12.840 -3.823 1.00 62.30 H new ATOM 0 HZ PHE A 22 -6.524 12.594 -1.640 1.00 12.03 H new ATOM 337 N GLY A 23 1.373 11.314 -3.179 1.00 3.42 N ATOM 338 CA GLY A 23 2.695 10.947 -3.685 1.00 30.34 C ATOM 339 C GLY A 23 3.825 11.231 -2.698 1.00 14.42 C ATOM 340 O GLY A 23 4.914 10.666 -2.812 1.00 32.35 O ATOM 0 H GLY A 23 0.894 12.027 -3.729 1.00 3.42 H new ATOM 0 HA2 GLY A 23 2.698 9.886 -3.934 1.00 30.34 H new ATOM 0 HA3 GLY A 23 2.885 11.492 -4.610 1.00 30.34 H new ATOM 344 N ILE A 24 3.570 12.113 -1.733 1.00 13.21 N ATOM 345 CA ILE A 24 4.531 12.386 -0.657 1.00 22.41 C ATOM 346 C ILE A 24 4.890 11.091 0.097 1.00 34.22 C ATOM 347 O ILE A 24 6.034 10.886 0.515 1.00 40.34 O ATOM 348 CB ILE A 24 3.964 13.427 0.344 1.00 41.24 C ATOM 349 CG1 ILE A 24 3.564 14.725 -0.386 1.00 61.11 C ATOM 350 CG2 ILE A 24 4.972 13.718 1.455 1.00 63.42 C ATOM 351 CD1 ILE A 24 4.709 15.408 -1.114 1.00 22.03 C ATOM 0 H ILE A 24 2.707 12.653 -1.671 1.00 13.21 H new ATOM 0 HA ILE A 24 5.432 12.793 -1.117 1.00 22.41 H new ATOM 0 HB ILE A 24 3.069 13.005 0.802 1.00 41.24 H new ATOM 0 HG12 ILE A 24 2.776 14.497 -1.104 1.00 61.11 H new ATOM 0 HG13 ILE A 24 3.142 15.421 0.339 1.00 61.11 H new ATOM 0 HG21 ILE A 24 4.552 14.450 2.144 1.00 63.42 H new ATOM 0 HG22 ILE A 24 5.194 12.797 1.995 1.00 63.42 H new ATOM 0 HG23 ILE A 24 5.889 14.114 1.019 1.00 63.42 H new ATOM 0 HD11 ILE A 24 4.343 16.312 -1.600 1.00 22.03 H new ATOM 0 HD12 ILE A 24 5.489 15.671 -0.400 1.00 22.03 H new ATOM 0 HD13 ILE A 24 5.117 14.732 -1.865 1.00 22.03 H new ATOM 363 N LEU A 25 3.898 10.209 0.246 1.00 31.42 N ATOM 364 CA LEU A 25 4.102 8.896 0.869 1.00 70.00 C ATOM 365 C LEU A 25 5.165 8.098 0.094 1.00 11.34 C ATOM 366 O LEU A 25 6.088 7.531 0.684 1.00 62.03 O ATOM 367 CB LEU A 25 2.758 8.135 0.918 1.00 33.10 C ATOM 368 CG LEU A 25 2.708 6.847 1.773 1.00 31.54 C ATOM 369 CD1 LEU A 25 3.373 5.672 1.062 1.00 34.13 C ATOM 370 CD2 LEU A 25 3.348 7.081 3.141 1.00 15.04 C ATOM 0 H LEU A 25 2.940 10.381 -0.058 1.00 31.42 H new ATOM 0 HA LEU A 25 4.464 9.028 1.889 1.00 70.00 H new ATOM 0 HB2 LEU A 25 1.996 8.819 1.292 1.00 33.10 H new ATOM 0 HB3 LEU A 25 2.480 7.874 -0.103 1.00 33.10 H new ATOM 0 HG LEU A 25 1.658 6.592 1.919 1.00 31.54 H new ATOM 0 HD11 LEU A 25 3.318 4.786 1.694 1.00 34.13 H new ATOM 0 HD12 LEU A 25 2.859 5.479 0.120 1.00 34.13 H new ATOM 0 HD13 LEU A 25 4.418 5.911 0.863 1.00 34.13 H new ATOM 0 HD21 LEU A 25 3.302 6.162 3.726 1.00 15.04 H new ATOM 0 HD22 LEU A 25 4.389 7.376 3.010 1.00 15.04 H new ATOM 0 HD23 LEU A 25 2.810 7.872 3.664 1.00 15.04 H new ATOM 382 N ALA A 26 5.037 8.086 -1.234 1.00 2.40 N ATOM 383 CA ALA A 26 6.001 7.404 -2.107 1.00 22.52 C ATOM 384 C ALA A 26 7.421 7.950 -1.915 1.00 64.25 C ATOM 385 O ALA A 26 8.389 7.190 -1.858 1.00 54.11 O ATOM 386 CB ALA A 26 5.586 7.548 -3.563 1.00 20.40 C ATOM 0 H ALA A 26 4.273 8.542 -1.732 1.00 2.40 H new ATOM 0 HA ALA A 26 6.005 6.349 -1.833 1.00 22.52 H new ATOM 0 HB1 ALA A 26 6.309 7.038 -4.200 1.00 20.40 H new ATOM 0 HB2 ALA A 26 4.600 7.105 -3.706 1.00 20.40 H new ATOM 0 HB3 ALA A 26 5.551 8.605 -3.828 1.00 20.40 H new ATOM 392 N GLU A 27 7.531 9.271 -1.818 1.00 20.04 N ATOM 393 CA GLU A 27 8.823 9.932 -1.609 1.00 61.52 C ATOM 394 C GLU A 27 9.480 9.467 -0.299 1.00 1.24 C ATOM 395 O GLU A 27 10.666 9.135 -0.263 1.00 60.31 O ATOM 396 CB GLU A 27 8.629 11.458 -1.603 1.00 1.25 C ATOM 397 CG GLU A 27 9.912 12.261 -1.383 1.00 43.12 C ATOM 398 CD GLU A 27 10.990 11.951 -2.411 1.00 51.13 C ATOM 399 OE1 GLU A 27 10.747 12.166 -3.619 1.00 4.13 O ATOM 400 OE2 GLU A 27 12.088 11.509 -2.014 1.00 54.21 O ATOM 0 H GLU A 27 6.739 9.911 -1.881 1.00 20.04 H new ATOM 0 HA GLU A 27 9.489 9.658 -2.428 1.00 61.52 H new ATOM 0 HB2 GLU A 27 8.186 11.759 -2.552 1.00 1.25 H new ATOM 0 HB3 GLU A 27 7.915 11.717 -0.821 1.00 1.25 H new ATOM 0 HG2 GLU A 27 9.679 13.325 -1.419 1.00 43.12 H new ATOM 0 HG3 GLU A 27 10.298 12.052 -0.385 1.00 43.12 H new ATOM 407 N HIS A 28 8.694 9.418 0.774 1.00 0.21 N ATOM 408 CA HIS A 28 9.216 9.029 2.086 1.00 43.24 C ATOM 409 C HIS A 28 9.566 7.530 2.150 1.00 11.23 C ATOM 410 O HIS A 28 10.612 7.163 2.672 1.00 4.32 O ATOM 411 CB HIS A 28 8.223 9.386 3.198 1.00 24.31 C ATOM 412 CG HIS A 28 8.771 9.137 4.574 1.00 14.34 C ATOM 413 ND1 HIS A 28 9.618 10.011 5.221 1.00 12.33 N ATOM 414 CD2 HIS A 28 8.606 8.092 5.415 1.00 42.40 C ATOM 415 CE1 HIS A 28 9.948 9.512 6.395 1.00 44.24 C ATOM 416 NE2 HIS A 28 9.349 8.347 6.542 1.00 64.53 N ATOM 0 H HIS A 28 7.699 9.641 0.764 1.00 0.21 H new ATOM 0 HA HIS A 28 10.137 9.591 2.239 1.00 43.24 H new ATOM 0 HB2 HIS A 28 7.946 10.436 3.107 1.00 24.31 H new ATOM 0 HB3 HIS A 28 7.311 8.804 3.065 1.00 24.31 H new ATOM 0 HD2 HIS A 28 8.000 7.216 5.234 1.00 42.40 H new ATOM 0 HE1 HIS A 28 10.601 9.980 7.117 1.00 44.24 H new ATOM 0 HE2 HIS A 28 9.425 7.737 7.356 1.00 64.53 H new ATOM 425 N VAL A 29 8.701 6.658 1.622 1.00 33.22 N ATOM 426 CA VAL A 29 8.976 5.211 1.659 1.00 60.21 C ATOM 427 C VAL A 29 10.233 4.855 0.847 1.00 41.43 C ATOM 428 O VAL A 29 10.857 3.816 1.079 1.00 53.15 O ATOM 429 CB VAL A 29 7.779 4.360 1.167 1.00 73.15 C ATOM 430 CG1 VAL A 29 6.557 4.593 2.052 1.00 60.13 C ATOM 431 CG2 VAL A 29 7.462 4.648 -0.298 1.00 14.31 C ATOM 0 H VAL A 29 7.823 6.917 1.173 1.00 33.22 H new ATOM 0 HA VAL A 29 9.147 4.969 2.708 1.00 60.21 H new ATOM 0 HB VAL A 29 8.057 3.309 1.241 1.00 73.15 H new ATOM 0 HG11 VAL A 29 5.726 3.987 1.691 1.00 60.13 H new ATOM 0 HG12 VAL A 29 6.792 4.312 3.079 1.00 60.13 H new ATOM 0 HG13 VAL A 29 6.279 5.646 2.019 1.00 60.13 H new ATOM 0 HG21 VAL A 29 6.618 4.036 -0.615 1.00 14.31 H new ATOM 0 HG22 VAL A 29 7.210 5.702 -0.415 1.00 14.31 H new ATOM 0 HG23 VAL A 29 8.331 4.412 -0.912 1.00 14.31 H new ATOM 441 N SER A 30 10.590 5.717 -0.109 1.00 25.54 N ATOM 442 CA SER A 30 11.859 5.588 -0.841 1.00 61.22 C ATOM 443 C SER A 30 13.049 5.854 0.094 1.00 54.52 C ATOM 444 O SER A 30 14.088 5.197 0.002 1.00 30.25 O ATOM 445 CB SER A 30 11.906 6.563 -2.028 1.00 30.41 C ATOM 446 OG SER A 30 13.152 6.492 -2.706 1.00 2.32 O ATOM 0 H SER A 30 10.020 6.513 -0.396 1.00 25.54 H new ATOM 0 HA SER A 30 11.925 4.569 -1.221 1.00 61.22 H new ATOM 0 HB2 SER A 30 11.098 6.333 -2.723 1.00 30.41 H new ATOM 0 HB3 SER A 30 11.741 7.580 -1.673 1.00 30.41 H new ATOM 0 HG SER A 30 13.152 7.122 -3.457 1.00 2.32 H new ATOM 452 N GLU A 31 12.885 6.820 0.998 1.00 15.23 N ATOM 453 CA GLU A 31 13.888 7.102 2.035 1.00 62.53 C ATOM 454 C GLU A 31 14.081 5.879 2.946 1.00 1.44 C ATOM 455 O GLU A 31 15.200 5.392 3.134 1.00 70.23 O ATOM 456 CB GLU A 31 13.453 8.319 2.873 1.00 55.21 C ATOM 457 CG GLU A 31 14.403 8.665 4.015 1.00 41.43 C ATOM 458 CD GLU A 31 13.886 9.807 4.880 1.00 22.50 C ATOM 459 OE1 GLU A 31 13.974 10.977 4.449 1.00 11.42 O ATOM 460 OE2 GLU A 31 13.386 9.542 5.991 1.00 21.42 O ATOM 0 H GLU A 31 12.065 7.425 1.036 1.00 15.23 H new ATOM 0 HA GLU A 31 14.837 7.325 1.547 1.00 62.53 H new ATOM 0 HB2 GLU A 31 13.362 9.184 2.216 1.00 55.21 H new ATOM 0 HB3 GLU A 31 12.462 8.127 3.285 1.00 55.21 H new ATOM 0 HG2 GLU A 31 14.555 7.783 4.637 1.00 41.43 H new ATOM 0 HG3 GLU A 31 15.376 8.936 3.604 1.00 41.43 H new ATOM 467 N ASP A 32 12.972 5.377 3.492 1.00 72.40 N ATOM 468 CA ASP A 32 12.984 4.201 4.372 1.00 60.24 C ATOM 469 C ASP A 32 13.371 2.907 3.628 1.00 44.12 C ATOM 470 O ASP A 32 13.466 1.843 4.237 1.00 21.31 O ATOM 471 CB ASP A 32 11.609 4.032 5.029 1.00 63.15 C ATOM 472 CG ASP A 32 11.266 5.185 5.952 1.00 72.31 C ATOM 473 OD1 ASP A 32 11.044 6.303 5.457 1.00 2.24 O ATOM 474 OD2 ASP A 32 11.227 4.984 7.182 1.00 50.15 O ATOM 0 H ASP A 32 12.043 5.770 3.339 1.00 72.40 H new ATOM 0 HA ASP A 32 13.745 4.374 5.132 1.00 60.24 H new ATOM 0 HB2 ASP A 32 10.846 3.950 4.254 1.00 63.15 H new ATOM 0 HB3 ASP A 32 11.591 3.100 5.594 1.00 63.15 H new ATOM 479 N LYS A 33 13.583 2.990 2.314 1.00 63.42 N ATOM 480 CA LYS A 33 14.017 1.823 1.528 1.00 22.24 C ATOM 481 C LYS A 33 15.377 1.311 2.038 1.00 70.32 C ATOM 482 O LYS A 33 15.659 0.114 2.002 1.00 43.33 O ATOM 483 CB LYS A 33 14.084 2.193 0.032 1.00 60.21 C ATOM 484 CG LYS A 33 14.293 1.012 -0.929 1.00 71.42 C ATOM 485 CD LYS A 33 15.766 0.623 -1.083 1.00 62.42 C ATOM 486 CE LYS A 33 16.608 1.764 -1.650 1.00 34.35 C ATOM 487 NZ LYS A 33 16.153 2.185 -3.003 1.00 20.15 N ATOM 0 H LYS A 33 13.464 3.845 1.770 1.00 63.42 H new ATOM 0 HA LYS A 33 13.291 1.019 1.648 1.00 22.24 H new ATOM 0 HB2 LYS A 33 13.160 2.703 -0.241 1.00 60.21 H new ATOM 0 HB3 LYS A 33 14.896 2.906 -0.113 1.00 60.21 H new ATOM 0 HG2 LYS A 33 13.731 0.151 -0.566 1.00 71.42 H new ATOM 0 HG3 LYS A 33 13.886 1.269 -1.907 1.00 71.42 H new ATOM 0 HD2 LYS A 33 16.165 0.327 -0.113 1.00 62.42 H new ATOM 0 HD3 LYS A 33 15.844 -0.244 -1.738 1.00 62.42 H new ATOM 0 HE2 LYS A 33 16.563 2.617 -0.973 1.00 34.35 H new ATOM 0 HE3 LYS A 33 17.651 1.452 -1.701 1.00 34.35 H new ATOM 0 HZ1 LYS A 33 16.841 2.851 -3.409 1.00 20.15 H new ATOM 0 HZ2 LYS A 33 16.074 1.350 -3.618 1.00 20.15 H new ATOM 0 HZ3 LYS A 33 15.225 2.649 -2.929 1.00 20.15 H new ATOM 501 N ALA A 34 16.203 2.229 2.539 1.00 0.31 N ATOM 502 CA ALA A 34 17.515 1.883 3.110 1.00 1.01 C ATOM 503 C ALA A 34 17.400 1.417 4.576 1.00 51.01 C ATOM 504 O ALA A 34 18.383 1.413 5.316 1.00 0.40 O ATOM 505 CB ALA A 34 18.455 3.083 3.009 1.00 33.05 C ATOM 0 H ALA A 34 15.989 3.226 2.563 1.00 0.31 H new ATOM 0 HA ALA A 34 17.921 1.051 2.535 1.00 1.01 H new ATOM 0 HB1 ALA A 34 19.425 2.822 3.433 1.00 33.05 H new ATOM 0 HB2 ALA A 34 18.579 3.361 1.962 1.00 33.05 H new ATOM 0 HB3 ALA A 34 18.033 3.923 3.560 1.00 33.05 H new ATOM 511 N PHE A 35 16.195 1.025 4.985 1.00 0.44 N ATOM 512 CA PHE A 35 15.936 0.553 6.351 1.00 63.40 C ATOM 513 C PHE A 35 15.349 -0.873 6.322 1.00 22.53 C ATOM 514 O PHE A 35 14.540 -1.191 5.446 1.00 2.42 O ATOM 515 CB PHE A 35 14.964 1.520 7.054 1.00 40.22 C ATOM 516 CG PHE A 35 14.745 1.232 8.520 1.00 14.13 C ATOM 517 CD1 PHE A 35 15.633 1.711 9.474 1.00 13.11 C ATOM 518 CD2 PHE A 35 13.651 0.489 8.946 1.00 43.11 C ATOM 519 CE1 PHE A 35 15.437 1.454 10.818 1.00 50.40 C ATOM 520 CE2 PHE A 35 13.452 0.228 10.288 1.00 32.42 C ATOM 521 CZ PHE A 35 14.345 0.711 11.224 1.00 60.10 C ATOM 0 H PHE A 35 15.371 1.024 4.384 1.00 0.44 H new ATOM 0 HA PHE A 35 16.874 0.525 6.905 1.00 63.40 H new ATOM 0 HB2 PHE A 35 15.343 2.536 6.949 1.00 40.22 H new ATOM 0 HB3 PHE A 35 14.002 1.484 6.542 1.00 40.22 H new ATOM 0 HD1 PHE A 35 16.488 2.292 9.162 1.00 13.11 H new ATOM 0 HD2 PHE A 35 12.947 0.111 8.219 1.00 43.11 H new ATOM 0 HE1 PHE A 35 16.136 1.833 11.549 1.00 50.40 H new ATOM 0 HE2 PHE A 35 12.599 -0.353 10.605 1.00 32.42 H new ATOM 0 HZ PHE A 35 14.190 0.508 12.273 1.00 60.10 H new ATOM 531 N PRO A 36 15.767 -1.758 7.256 1.00 71.32 N ATOM 532 CA PRO A 36 15.221 -3.126 7.365 1.00 73.45 C ATOM 533 C PRO A 36 13.680 -3.153 7.441 1.00 1.34 C ATOM 534 O PRO A 36 13.087 -2.870 8.482 1.00 63.41 O ATOM 535 CB PRO A 36 15.845 -3.671 8.668 1.00 12.13 C ATOM 536 CG PRO A 36 16.436 -2.479 9.355 1.00 75.11 C ATOM 537 CD PRO A 36 16.810 -1.515 8.264 1.00 4.55 C ATOM 0 HA PRO A 36 15.462 -3.723 6.485 1.00 73.45 H new ATOM 0 HB2 PRO A 36 15.092 -4.151 9.293 1.00 12.13 H new ATOM 0 HB3 PRO A 36 16.608 -4.420 8.455 1.00 12.13 H new ATOM 0 HG2 PRO A 36 15.720 -2.030 10.043 1.00 75.11 H new ATOM 0 HG3 PRO A 36 17.309 -2.761 9.943 1.00 75.11 H new ATOM 0 HD2 PRO A 36 16.804 -0.483 8.614 1.00 4.55 H new ATOM 0 HD3 PRO A 36 17.808 -1.712 7.872 1.00 4.55 H new ATOM 545 N ARG A 37 13.046 -3.474 6.315 1.00 53.22 N ATOM 546 CA ARG A 37 11.582 -3.544 6.217 1.00 24.14 C ATOM 547 C ARG A 37 11.136 -4.875 5.594 1.00 34.12 C ATOM 548 O ARG A 37 10.281 -5.573 6.146 1.00 62.05 O ATOM 549 CB ARG A 37 11.056 -2.367 5.379 1.00 55.00 C ATOM 550 CG ARG A 37 11.207 -1.010 6.064 1.00 45.10 C ATOM 551 CD ARG A 37 11.073 0.149 5.081 1.00 43.23 C ATOM 552 NE ARG A 37 9.807 0.132 4.352 1.00 21.23 N ATOM 553 CZ ARG A 37 9.574 0.844 3.283 1.00 4.32 C ATOM 554 NH1 ARG A 37 10.492 1.627 2.803 1.00 1.42 N ATOM 555 NH2 ARG A 37 8.427 0.766 2.695 1.00 11.41 N ATOM 0 H ARG A 37 13.528 -3.693 5.443 1.00 53.22 H new ATOM 0 HA ARG A 37 11.167 -3.483 7.223 1.00 24.14 H new ATOM 0 HB2 ARG A 37 11.586 -2.345 4.427 1.00 55.00 H new ATOM 0 HB3 ARG A 37 10.003 -2.535 5.153 1.00 55.00 H new ATOM 0 HG2 ARG A 37 10.452 -0.912 6.844 1.00 45.10 H new ATOM 0 HG3 ARG A 37 12.179 -0.958 6.554 1.00 45.10 H new ATOM 0 HD2 ARG A 37 11.162 1.091 5.623 1.00 43.23 H new ATOM 0 HD3 ARG A 37 11.897 0.112 4.369 1.00 43.23 H new ATOM 0 HE ARG A 37 9.061 -0.472 4.699 1.00 21.23 H new ATOM 0 HH11 ARG A 37 11.401 1.688 3.262 1.00 1.42 H new ATOM 0 HH12 ARG A 37 10.304 2.181 1.967 1.00 1.42 H new ATOM 0 HH21 ARG A 37 7.705 0.149 3.066 1.00 11.41 H new ATOM 0 HH22 ARG A 37 8.243 1.322 1.860 1.00 11.41 H new ATOM 569 N LEU A 38 11.732 -5.214 4.443 1.00 61.42 N ATOM 570 CA LEU A 38 11.425 -6.462 3.724 1.00 4.43 C ATOM 571 C LEU A 38 9.911 -6.649 3.539 1.00 73.02 C ATOM 572 O LEU A 38 9.304 -7.553 4.116 1.00 32.00 O ATOM 573 CB LEU A 38 12.041 -7.685 4.436 1.00 41.24 C ATOM 574 CG LEU A 38 13.578 -7.796 4.371 1.00 11.15 C ATOM 575 CD1 LEU A 38 14.256 -6.654 5.128 1.00 14.12 C ATOM 576 CD2 LEU A 38 14.038 -9.147 4.907 1.00 24.33 C ATOM 0 H LEU A 38 12.437 -4.636 3.985 1.00 61.42 H new ATOM 0 HA LEU A 38 11.876 -6.382 2.735 1.00 4.43 H new ATOM 0 HB2 LEU A 38 11.741 -7.661 5.484 1.00 41.24 H new ATOM 0 HB3 LEU A 38 11.612 -8.588 4.003 1.00 41.24 H new ATOM 0 HG LEU A 38 13.874 -7.717 3.325 1.00 11.15 H new ATOM 0 HD11 LEU A 38 15.338 -6.765 5.061 1.00 14.12 H new ATOM 0 HD12 LEU A 38 13.961 -5.701 4.689 1.00 14.12 H new ATOM 0 HD13 LEU A 38 13.953 -6.681 6.175 1.00 14.12 H new ATOM 0 HD21 LEU A 38 15.125 -9.209 4.854 1.00 24.33 H new ATOM 0 HD22 LEU A 38 13.719 -9.255 5.944 1.00 24.33 H new ATOM 0 HD23 LEU A 38 13.600 -9.945 4.307 1.00 24.33 H new ATOM 588 N GLU A 39 9.306 -5.776 2.742 1.00 4.11 N ATOM 589 CA GLU A 39 7.855 -5.782 2.550 1.00 32.24 C ATOM 590 C GLU A 39 7.439 -6.674 1.366 1.00 64.33 C ATOM 591 O GLU A 39 7.335 -6.220 0.223 1.00 1.30 O ATOM 592 CB GLU A 39 7.347 -4.344 2.371 1.00 72.22 C ATOM 593 CG GLU A 39 7.668 -3.447 3.567 1.00 72.40 C ATOM 594 CD GLU A 39 7.286 -1.986 3.370 1.00 23.44 C ATOM 595 OE1 GLU A 39 7.013 -1.575 2.224 1.00 51.11 O ATOM 596 OE2 GLU A 39 7.299 -1.229 4.367 1.00 50.04 O ATOM 0 H GLU A 39 9.796 -5.052 2.216 1.00 4.11 H new ATOM 0 HA GLU A 39 7.394 -6.209 3.441 1.00 32.24 H new ATOM 0 HB2 GLU A 39 7.792 -3.916 1.472 1.00 72.22 H new ATOM 0 HB3 GLU A 39 6.268 -4.362 2.216 1.00 72.22 H new ATOM 0 HG2 GLU A 39 7.149 -3.832 4.445 1.00 72.40 H new ATOM 0 HG3 GLU A 39 8.736 -3.507 3.776 1.00 72.40 H new ATOM 603 N GLU A 40 7.248 -7.959 1.657 1.00 61.54 N ATOM 604 CA GLU A 40 6.746 -8.927 0.673 1.00 42.25 C ATOM 605 C GLU A 40 5.240 -9.141 0.864 1.00 41.34 C ATOM 606 O GLU A 40 4.438 -8.976 -0.058 1.00 2.25 O ATOM 607 CB GLU A 40 7.454 -10.280 0.849 1.00 63.45 C ATOM 608 CG GLU A 40 8.976 -10.210 0.874 1.00 74.10 C ATOM 609 CD GLU A 40 9.595 -11.570 1.150 1.00 21.43 C ATOM 610 OE1 GLU A 40 9.630 -11.987 2.328 1.00 44.53 O ATOM 611 OE2 GLU A 40 10.008 -12.256 0.191 1.00 62.53 O ATOM 0 H GLU A 40 7.435 -8.361 2.576 1.00 61.54 H new ATOM 0 HA GLU A 40 6.943 -8.532 -0.323 1.00 42.25 H new ATOM 0 HB2 GLU A 40 7.111 -10.735 1.778 1.00 63.45 H new ATOM 0 HB3 GLU A 40 7.149 -10.941 0.038 1.00 63.45 H new ATOM 0 HG2 GLU A 40 9.339 -9.832 -0.082 1.00 74.10 H new ATOM 0 HG3 GLU A 40 9.296 -9.502 1.639 1.00 74.10 H new ATOM 618 N ARG A 41 4.882 -9.515 2.089 1.00 14.43 N ATOM 619 CA ARG A 41 3.494 -9.773 2.468 1.00 30.03 C ATOM 620 C ARG A 41 2.655 -8.491 2.363 1.00 34.44 C ATOM 621 O ARG A 41 2.926 -7.501 3.037 1.00 50.35 O ATOM 622 CB ARG A 41 3.461 -10.326 3.898 1.00 51.14 C ATOM 623 CG ARG A 41 4.320 -11.574 4.075 1.00 1.41 C ATOM 624 CD ARG A 41 4.638 -11.854 5.541 1.00 64.10 C ATOM 625 NE ARG A 41 3.441 -12.102 6.342 1.00 22.11 N ATOM 626 CZ ARG A 41 3.178 -13.239 6.923 1.00 74.10 C ATOM 627 NH1 ARG A 41 3.935 -14.273 6.728 1.00 55.21 N ATOM 628 NH2 ARG A 41 2.142 -13.345 7.685 1.00 65.54 N ATOM 0 H ARG A 41 5.548 -9.648 2.850 1.00 14.43 H new ATOM 0 HA ARG A 41 3.064 -10.507 1.786 1.00 30.03 H new ATOM 0 HB2 ARG A 41 3.804 -9.555 4.588 1.00 51.14 H new ATOM 0 HB3 ARG A 41 2.431 -10.559 4.168 1.00 51.14 H new ATOM 0 HG2 ARG A 41 3.802 -12.433 3.647 1.00 1.41 H new ATOM 0 HG3 ARG A 41 5.250 -11.454 3.520 1.00 1.41 H new ATOM 0 HD2 ARG A 41 5.299 -12.718 5.606 1.00 64.10 H new ATOM 0 HD3 ARG A 41 5.180 -11.006 5.959 1.00 64.10 H new ATOM 0 HE ARG A 41 2.772 -11.340 6.453 1.00 22.11 H new ATOM 0 HH11 ARG A 41 4.747 -14.202 6.114 1.00 55.21 H new ATOM 0 HH12 ARG A 41 3.719 -15.157 7.188 1.00 55.21 H new ATOM 0 HH21 ARG A 41 1.532 -12.541 7.831 1.00 65.54 H new ATOM 0 HH22 ARG A 41 1.933 -14.233 8.141 1.00 65.54 H new ATOM 642 N HIS A 42 1.618 -8.532 1.535 1.00 40.24 N ATOM 643 CA HIS A 42 0.837 -7.331 1.199 1.00 63.21 C ATOM 644 C HIS A 42 0.251 -6.637 2.450 1.00 74.22 C ATOM 645 O HIS A 42 -0.038 -5.443 2.431 1.00 65.12 O ATOM 646 CB HIS A 42 -0.292 -7.703 0.226 1.00 23.43 C ATOM 647 CG HIS A 42 0.174 -8.453 -0.995 1.00 53.22 C ATOM 648 ND1 HIS A 42 -0.689 -9.031 -1.902 1.00 4.53 N ATOM 649 CD2 HIS A 42 1.424 -8.737 -1.446 1.00 42.11 C ATOM 650 CE1 HIS A 42 0.004 -9.636 -2.847 1.00 21.34 C ATOM 651 NE2 HIS A 42 1.287 -9.474 -2.597 1.00 54.33 N ATOM 0 H HIS A 42 1.292 -9.384 1.079 1.00 40.24 H new ATOM 0 HA HIS A 42 1.517 -6.621 0.728 1.00 63.21 H new ATOM 0 HB2 HIS A 42 -1.028 -8.310 0.754 1.00 23.43 H new ATOM 0 HB3 HIS A 42 -0.799 -6.792 -0.091 1.00 23.43 H new ATOM 0 HD1 HIS A 42 -1.707 -8.996 -1.850 1.00 4.53 H new ATOM 0 HD2 HIS A 42 2.354 -8.438 -0.985 1.00 42.11 H new ATOM 0 HE1 HIS A 42 -0.411 -10.175 -3.686 1.00 21.34 H new ATOM 660 N GLN A 43 0.092 -7.393 3.532 1.00 63.52 N ATOM 661 CA GLN A 43 -0.516 -6.874 4.765 1.00 14.53 C ATOM 662 C GLN A 43 0.482 -6.059 5.619 1.00 4.41 C ATOM 663 O GLN A 43 0.093 -5.085 6.267 1.00 42.31 O ATOM 664 CB GLN A 43 -1.094 -8.052 5.577 1.00 70.53 C ATOM 665 CG GLN A 43 -1.894 -7.657 6.825 1.00 31.14 C ATOM 666 CD GLN A 43 -1.029 -7.332 8.040 1.00 73.42 C ATOM 667 OE1 GLN A 43 -1.395 -6.510 8.873 1.00 2.21 O ATOM 668 NE2 GLN A 43 0.110 -7.984 8.160 1.00 51.04 N ATOM 0 H GLN A 43 0.375 -8.371 3.585 1.00 63.52 H new ATOM 0 HA GLN A 43 -1.315 -6.187 4.486 1.00 14.53 H new ATOM 0 HB2 GLN A 43 -1.738 -8.641 4.924 1.00 70.53 H new ATOM 0 HB3 GLN A 43 -0.272 -8.700 5.882 1.00 70.53 H new ATOM 0 HG2 GLN A 43 -2.511 -6.790 6.589 1.00 31.14 H new ATOM 0 HG3 GLN A 43 -2.572 -8.471 7.082 1.00 31.14 H new ATOM 0 HE21 GLN A 43 0.387 -8.662 7.450 1.00 51.04 H new ATOM 0 HE22 GLN A 43 0.715 -7.811 8.963 1.00 51.04 H new ATOM 677 N VAL A 44 1.765 -6.439 5.609 1.00 54.34 N ATOM 678 CA VAL A 44 2.755 -5.831 6.521 1.00 61.20 C ATOM 679 C VAL A 44 2.883 -4.310 6.320 1.00 53.32 C ATOM 680 O VAL A 44 3.026 -3.559 7.287 1.00 34.24 O ATOM 681 CB VAL A 44 4.158 -6.488 6.393 1.00 22.34 C ATOM 682 CG1 VAL A 44 4.072 -7.996 6.621 1.00 50.33 C ATOM 683 CG2 VAL A 44 4.805 -6.176 5.044 1.00 35.35 C ATOM 0 H VAL A 44 2.144 -7.155 4.990 1.00 54.34 H new ATOM 0 HA VAL A 44 2.374 -6.017 7.525 1.00 61.20 H new ATOM 0 HB VAL A 44 4.795 -6.060 7.167 1.00 22.34 H new ATOM 0 HG11 VAL A 44 5.065 -8.435 6.527 1.00 50.33 H new ATOM 0 HG12 VAL A 44 3.682 -8.191 7.620 1.00 50.33 H new ATOM 0 HG13 VAL A 44 3.407 -8.439 5.879 1.00 50.33 H new ATOM 0 HG21 VAL A 44 5.784 -6.652 4.991 1.00 35.35 H new ATOM 0 HG22 VAL A 44 4.173 -6.556 4.241 1.00 35.35 H new ATOM 0 HG23 VAL A 44 4.920 -5.097 4.936 1.00 35.35 H new ATOM 693 N ILE A 45 2.806 -3.862 5.068 1.00 1.01 N ATOM 694 CA ILE A 45 2.927 -2.433 4.738 1.00 10.50 C ATOM 695 C ILE A 45 1.891 -1.591 5.508 1.00 45.14 C ATOM 696 O ILE A 45 2.180 -0.481 5.968 1.00 45.21 O ATOM 697 CB ILE A 45 2.751 -2.200 3.216 1.00 65.32 C ATOM 698 CG1 ILE A 45 3.719 -3.098 2.424 1.00 12.11 C ATOM 699 CG2 ILE A 45 2.971 -0.725 2.864 1.00 74.21 C ATOM 700 CD1 ILE A 45 3.547 -3.019 0.922 1.00 4.41 C ATOM 0 H ILE A 45 2.660 -4.466 4.259 1.00 1.01 H new ATOM 0 HA ILE A 45 3.927 -2.117 5.035 1.00 10.50 H new ATOM 0 HB ILE A 45 1.730 -2.464 2.942 1.00 65.32 H new ATOM 0 HG12 ILE A 45 4.743 -2.822 2.677 1.00 12.11 H new ATOM 0 HG13 ILE A 45 3.580 -4.132 2.741 1.00 12.11 H new ATOM 0 HG21 ILE A 45 2.843 -0.584 1.791 1.00 74.21 H new ATOM 0 HG22 ILE A 45 2.247 -0.111 3.400 1.00 74.21 H new ATOM 0 HG23 ILE A 45 3.980 -0.429 3.151 1.00 74.21 H new ATOM 0 HD11 ILE A 45 4.266 -3.681 0.438 1.00 4.41 H new ATOM 0 HD12 ILE A 45 2.535 -3.325 0.655 1.00 4.41 H new ATOM 0 HD13 ILE A 45 3.716 -1.995 0.590 1.00 4.41 H new ATOM 712 N ARG A 46 0.687 -2.141 5.662 1.00 30.10 N ATOM 713 CA ARG A 46 -0.387 -1.465 6.398 1.00 31.53 C ATOM 714 C ARG A 46 -0.016 -1.275 7.881 1.00 32.13 C ATOM 715 O ARG A 46 -0.388 -0.278 8.504 1.00 12.51 O ATOM 716 CB ARG A 46 -1.699 -2.254 6.272 1.00 4.30 C ATOM 717 CG ARG A 46 -2.872 -1.626 7.017 1.00 43.21 C ATOM 718 CD ARG A 46 -4.167 -2.401 6.810 1.00 54.23 C ATOM 719 NE ARG A 46 -5.239 -1.878 7.652 1.00 14.10 N ATOM 720 CZ ARG A 46 -6.484 -1.763 7.283 1.00 31.42 C ATOM 721 NH1 ARG A 46 -6.862 -2.096 6.091 1.00 42.25 N ATOM 722 NH2 ARG A 46 -7.359 -1.312 8.120 1.00 74.22 N ATOM 0 H ARG A 46 0.428 -3.054 5.287 1.00 30.10 H new ATOM 0 HA ARG A 46 -0.525 -0.477 5.958 1.00 31.53 H new ATOM 0 HB2 ARG A 46 -1.958 -2.344 5.217 1.00 4.30 H new ATOM 0 HB3 ARG A 46 -1.541 -3.265 6.649 1.00 4.30 H new ATOM 0 HG2 ARG A 46 -2.643 -1.583 8.082 1.00 43.21 H new ATOM 0 HG3 ARG A 46 -3.007 -0.599 6.678 1.00 43.21 H new ATOM 0 HD2 ARG A 46 -4.464 -2.344 5.763 1.00 54.23 H new ATOM 0 HD3 ARG A 46 -4.003 -3.454 7.038 1.00 54.23 H new ATOM 0 HE ARG A 46 -4.996 -1.581 8.597 1.00 14.10 H new ATOM 0 HH11 ARG A 46 -6.181 -2.456 5.422 1.00 42.25 H new ATOM 0 HH12 ARG A 46 -7.841 -1.999 5.821 1.00 42.25 H new ATOM 0 HH21 ARG A 46 -7.074 -1.048 9.063 1.00 74.22 H new ATOM 0 HH22 ARG A 46 -8.335 -1.220 7.837 1.00 74.22 H new ATOM 736 N ALA A 47 0.730 -2.231 8.435 1.00 24.53 N ATOM 737 CA ALA A 47 1.184 -2.153 9.830 1.00 71.02 C ATOM 738 C ALA A 47 2.157 -0.982 10.034 1.00 70.13 C ATOM 739 O ALA A 47 2.022 -0.207 10.983 1.00 1.44 O ATOM 740 CB ALA A 47 1.832 -3.466 10.248 1.00 62.21 C ATOM 0 H ALA A 47 1.035 -3.070 7.942 1.00 24.53 H new ATOM 0 HA ALA A 47 0.313 -1.975 10.460 1.00 71.02 H new ATOM 0 HB1 ALA A 47 2.164 -3.394 11.284 1.00 62.21 H new ATOM 0 HB2 ALA A 47 1.108 -4.275 10.154 1.00 62.21 H new ATOM 0 HB3 ALA A 47 2.689 -3.670 9.606 1.00 62.21 H new ATOM 746 N TYR A 48 3.128 -0.851 9.126 1.00 42.33 N ATOM 747 CA TYR A 48 4.099 0.252 9.175 1.00 43.04 C ATOM 748 C TYR A 48 3.403 1.622 9.220 1.00 65.32 C ATOM 749 O TYR A 48 3.672 2.441 10.104 1.00 31.34 O ATOM 750 CB TYR A 48 5.047 0.197 7.964 1.00 55.35 C ATOM 751 CG TYR A 48 6.065 -0.930 8.021 1.00 51.41 C ATOM 752 CD1 TYR A 48 7.308 -0.737 8.617 1.00 4.44 C ATOM 753 CD2 TYR A 48 5.786 -2.181 7.483 1.00 14.32 C ATOM 754 CE1 TYR A 48 8.240 -1.755 8.672 1.00 12.43 C ATOM 755 CE2 TYR A 48 6.715 -3.205 7.535 1.00 60.32 C ATOM 756 CZ TYR A 48 7.939 -2.987 8.131 1.00 64.31 C ATOM 757 OH TYR A 48 8.869 -4.006 8.192 1.00 23.12 O ATOM 0 H TYR A 48 3.265 -1.494 8.346 1.00 42.33 H new ATOM 0 HA TYR A 48 4.675 0.130 10.092 1.00 43.04 H new ATOM 0 HB2 TYR A 48 4.453 0.090 7.056 1.00 55.35 H new ATOM 0 HB3 TYR A 48 5.577 1.147 7.888 1.00 55.35 H new ATOM 0 HD1 TYR A 48 7.548 0.226 9.044 1.00 4.44 H new ATOM 0 HD2 TYR A 48 4.828 -2.357 7.017 1.00 14.32 H new ATOM 0 HE1 TYR A 48 9.200 -1.587 9.137 1.00 12.43 H new ATOM 0 HE2 TYR A 48 6.482 -4.171 7.111 1.00 60.32 H new ATOM 0 HH TYR A 48 9.112 -4.282 7.284 1.00 23.12 H new ATOM 767 N VAL A 49 2.499 1.864 8.273 1.00 72.42 N ATOM 768 CA VAL A 49 1.830 3.164 8.169 1.00 4.23 C ATOM 769 C VAL A 49 0.844 3.427 9.327 1.00 2.12 C ATOM 770 O VAL A 49 0.981 4.412 10.045 1.00 3.31 O ATOM 771 CB VAL A 49 1.107 3.336 6.805 1.00 43.14 C ATOM 772 CG1 VAL A 49 2.116 3.325 5.658 1.00 21.42 C ATOM 773 CG2 VAL A 49 0.041 2.260 6.595 1.00 22.14 C ATOM 0 H VAL A 49 2.212 1.183 7.570 1.00 72.42 H new ATOM 0 HA VAL A 49 2.625 3.907 8.239 1.00 4.23 H new ATOM 0 HB VAL A 49 0.603 4.302 6.817 1.00 43.14 H new ATOM 0 HG11 VAL A 49 1.591 3.447 4.710 1.00 21.42 H new ATOM 0 HG12 VAL A 49 2.824 4.143 5.788 1.00 21.42 H new ATOM 0 HG13 VAL A 49 2.654 2.377 5.656 1.00 21.42 H new ATOM 0 HG21 VAL A 49 -0.444 2.412 5.631 1.00 22.14 H new ATOM 0 HG22 VAL A 49 0.509 1.276 6.615 1.00 22.14 H new ATOM 0 HG23 VAL A 49 -0.703 2.325 7.389 1.00 22.14 H new ATOM 783 N MET A 50 -0.125 2.536 9.537 1.00 63.03 N ATOM 784 CA MET A 50 -1.208 2.795 10.503 1.00 61.35 C ATOM 785 C MET A 50 -0.702 2.896 11.952 1.00 40.25 C ATOM 786 O MET A 50 -1.364 3.488 12.810 1.00 12.53 O ATOM 787 CB MET A 50 -2.298 1.720 10.397 1.00 63.41 C ATOM 788 CG MET A 50 -2.966 1.657 9.028 1.00 3.50 C ATOM 789 SD MET A 50 -4.433 0.608 9.013 1.00 53.25 S ATOM 790 CE MET A 50 -5.517 1.527 10.106 1.00 55.32 C ATOM 0 H MET A 50 -0.188 1.636 9.060 1.00 63.03 H new ATOM 0 HA MET A 50 -1.631 3.765 10.242 1.00 61.35 H new ATOM 0 HB2 MET A 50 -1.860 0.748 10.623 1.00 63.41 H new ATOM 0 HB3 MET A 50 -3.059 1.911 11.154 1.00 63.41 H new ATOM 0 HG2 MET A 50 -3.242 2.665 8.717 1.00 3.50 H new ATOM 0 HG3 MET A 50 -2.250 1.283 8.296 1.00 3.50 H new ATOM 0 HE1 MET A 50 -6.555 1.292 9.871 1.00 55.32 H new ATOM 0 HE2 MET A 50 -5.308 1.253 11.140 1.00 55.32 H new ATOM 0 HE3 MET A 50 -5.348 2.595 9.972 1.00 55.32 H new ATOM 800 N SER A 51 0.467 2.322 12.224 1.00 72.12 N ATOM 801 CA SER A 51 1.057 2.365 13.571 1.00 14.53 C ATOM 802 C SER A 51 1.847 3.661 13.818 1.00 31.52 C ATOM 803 O SER A 51 1.789 4.234 14.909 1.00 55.53 O ATOM 804 CB SER A 51 1.975 1.152 13.797 1.00 43.52 C ATOM 805 OG SER A 51 2.582 1.192 15.080 1.00 35.12 O ATOM 0 H SER A 51 1.028 1.821 11.535 1.00 72.12 H new ATOM 0 HA SER A 51 0.230 2.336 14.280 1.00 14.53 H new ATOM 0 HB2 SER A 51 1.398 0.233 13.695 1.00 43.52 H new ATOM 0 HB3 SER A 51 2.747 1.130 13.028 1.00 43.52 H new ATOM 0 HG SER A 51 3.158 0.407 15.194 1.00 35.12 H new ATOM 811 N ASN A 52 2.570 4.136 12.802 1.00 51.24 N ATOM 812 CA ASN A 52 3.490 5.271 12.986 1.00 52.11 C ATOM 813 C ASN A 52 3.025 6.551 12.263 1.00 54.41 C ATOM 814 O ASN A 52 3.656 7.599 12.391 1.00 11.42 O ATOM 815 CB ASN A 52 4.893 4.886 12.503 1.00 1.40 C ATOM 816 CG ASN A 52 5.405 3.613 13.155 1.00 63.45 C ATOM 817 OD1 ASN A 52 5.975 3.642 14.237 1.00 34.43 O ATOM 818 ND2 ASN A 52 5.214 2.487 12.498 1.00 40.14 N ATOM 0 H ASN A 52 2.541 3.762 11.854 1.00 51.24 H new ATOM 0 HA ASN A 52 3.503 5.496 14.052 1.00 52.11 H new ATOM 0 HB2 ASN A 52 4.878 4.755 11.421 1.00 1.40 H new ATOM 0 HB3 ASN A 52 5.583 5.702 12.716 1.00 1.40 H new ATOM 0 HD21 ASN A 52 5.545 1.605 12.890 1.00 40.14 H new ATOM 0 HD22 ASN A 52 4.735 2.497 11.598 1.00 40.14 H new ATOM 825 N TYR A 53 1.933 6.472 11.504 1.00 44.21 N ATOM 826 CA TYR A 53 1.439 7.625 10.730 1.00 30.23 C ATOM 827 C TYR A 53 0.034 8.056 11.176 1.00 13.41 C ATOM 828 O TYR A 53 -0.831 7.223 11.453 1.00 71.10 O ATOM 829 CB TYR A 53 1.429 7.299 9.228 1.00 54.31 C ATOM 830 CG TYR A 53 2.815 7.140 8.626 1.00 3.02 C ATOM 831 CD1 TYR A 53 3.638 6.079 8.991 1.00 22.23 C ATOM 832 CD2 TYR A 53 3.303 8.059 7.704 1.00 71.13 C ATOM 833 CE1 TYR A 53 4.902 5.937 8.454 1.00 63.00 C ATOM 834 CE2 TYR A 53 4.567 7.925 7.165 1.00 52.41 C ATOM 835 CZ TYR A 53 5.361 6.862 7.543 1.00 31.51 C ATOM 836 OH TYR A 53 6.627 6.736 7.020 1.00 41.23 O ATOM 0 H TYR A 53 1.370 5.627 11.404 1.00 44.21 H new ATOM 0 HA TYR A 53 2.120 8.455 10.918 1.00 30.23 H new ATOM 0 HB2 TYR A 53 0.866 6.379 9.069 1.00 54.31 H new ATOM 0 HB3 TYR A 53 0.901 8.091 8.697 1.00 54.31 H new ATOM 0 HD1 TYR A 53 3.282 5.354 9.707 1.00 22.23 H new ATOM 0 HD2 TYR A 53 2.683 8.891 7.405 1.00 71.13 H new ATOM 0 HE1 TYR A 53 5.527 5.106 8.747 1.00 63.00 H new ATOM 0 HE2 TYR A 53 4.932 8.649 6.451 1.00 52.41 H new ATOM 0 HH TYR A 53 6.874 5.788 6.987 1.00 41.23 H new ATOM 846 N THR A 54 -0.178 9.366 11.240 1.00 21.11 N ATOM 847 CA THR A 54 -1.477 9.937 11.629 1.00 41.44 C ATOM 848 C THR A 54 -2.211 10.547 10.428 1.00 14.21 C ATOM 849 O THR A 54 -3.445 10.542 10.371 1.00 11.33 O ATOM 850 CB THR A 54 -1.304 11.038 12.702 1.00 71.01 C ATOM 851 OG1 THR A 54 -0.478 12.096 12.191 1.00 32.43 O ATOM 852 CG2 THR A 54 -0.677 10.478 13.977 1.00 73.14 C ATOM 0 H THR A 54 0.535 10.063 11.027 1.00 21.11 H new ATOM 0 HA THR A 54 -2.066 9.114 12.033 1.00 41.44 H new ATOM 0 HB THR A 54 -2.294 11.425 12.945 1.00 71.01 H new ATOM 0 HG1 THR A 54 -0.375 12.790 12.875 1.00 32.43 H new ATOM 0 HG21 THR A 54 -0.569 11.277 14.711 1.00 73.14 H new ATOM 0 HG22 THR A 54 -1.317 9.696 14.384 1.00 73.14 H new ATOM 0 HG23 THR A 54 0.304 10.061 13.748 1.00 73.14 H new ATOM 860 N ASP A 55 -1.445 11.071 9.473 1.00 2.34 N ATOM 861 CA ASP A 55 -2.007 11.742 8.295 1.00 61.15 C ATOM 862 C ASP A 55 -2.961 10.841 7.490 1.00 4.04 C ATOM 863 O ASP A 55 -2.539 9.861 6.870 1.00 5.14 O ATOM 864 CB ASP A 55 -0.880 12.237 7.385 1.00 45.23 C ATOM 865 CG ASP A 55 -0.081 13.360 8.016 1.00 1.24 C ATOM 866 OD1 ASP A 55 -0.517 14.527 7.919 1.00 1.52 O ATOM 867 OD2 ASP A 55 0.986 13.089 8.605 1.00 35.20 O ATOM 0 H ASP A 55 -0.425 11.045 9.490 1.00 2.34 H new ATOM 0 HA ASP A 55 -2.592 12.584 8.664 1.00 61.15 H new ATOM 0 HB2 ASP A 55 -0.213 11.407 7.152 1.00 45.23 H new ATOM 0 HB3 ASP A 55 -1.303 12.581 6.441 1.00 45.23 H new ATOM 872 N HIS A 56 -4.245 11.200 7.481 1.00 73.33 N ATOM 873 CA HIS A 56 -5.252 10.467 6.707 1.00 23.45 C ATOM 874 C HIS A 56 -4.861 10.375 5.222 1.00 43.23 C ATOM 875 O HIS A 56 -5.093 9.358 4.575 1.00 22.31 O ATOM 876 CB HIS A 56 -6.624 11.138 6.837 1.00 20.32 C ATOM 877 CG HIS A 56 -7.241 11.019 8.197 1.00 52.32 C ATOM 878 ND1 HIS A 56 -8.085 9.990 8.548 1.00 33.12 N ATOM 879 CD2 HIS A 56 -7.150 11.814 9.290 1.00 53.23 C ATOM 880 CE1 HIS A 56 -8.487 10.155 9.790 1.00 15.41 C ATOM 881 NE2 HIS A 56 -7.936 11.252 10.264 1.00 50.14 N ATOM 0 H HIS A 56 -4.615 11.995 8.002 1.00 73.33 H new ATOM 0 HA HIS A 56 -5.305 9.457 7.113 1.00 23.45 H new ATOM 0 HB2 HIS A 56 -6.524 12.194 6.587 1.00 20.32 H new ATOM 0 HB3 HIS A 56 -7.301 10.700 6.104 1.00 20.32 H new ATOM 0 HD2 HIS A 56 -6.568 12.720 9.378 1.00 53.23 H new ATOM 0 HE1 HIS A 56 -9.156 9.501 10.329 1.00 15.41 H new ATOM 0 HE2 HIS A 56 -8.071 11.624 11.204 1.00 50.14 H new ATOM 890 N GLN A 57 -4.259 11.442 4.692 1.00 23.05 N ATOM 891 CA GLN A 57 -3.785 11.457 3.298 1.00 4.44 C ATOM 892 C GLN A 57 -2.841 10.274 3.008 1.00 2.14 C ATOM 893 O GLN A 57 -2.876 9.684 1.928 1.00 50.24 O ATOM 894 CB GLN A 57 -3.070 12.787 2.988 1.00 14.30 C ATOM 895 CG GLN A 57 -3.960 14.024 3.104 1.00 73.52 C ATOM 896 CD GLN A 57 -5.127 14.011 2.129 1.00 62.11 C ATOM 897 OE1 GLN A 57 -5.014 14.473 0.998 1.00 11.22 O ATOM 898 NE2 GLN A 57 -6.262 13.496 2.560 1.00 41.42 N ATOM 0 H GLN A 57 -4.086 12.308 5.203 1.00 23.05 H new ATOM 0 HA GLN A 57 -4.658 11.359 2.653 1.00 4.44 H new ATOM 0 HB2 GLN A 57 -2.224 12.898 3.667 1.00 14.30 H new ATOM 0 HB3 GLN A 57 -2.664 12.740 1.978 1.00 14.30 H new ATOM 0 HG2 GLN A 57 -4.345 14.094 4.121 1.00 73.52 H new ATOM 0 HG3 GLN A 57 -3.358 14.916 2.929 1.00 73.52 H new ATOM 0 HE21 GLN A 57 -6.325 13.120 3.506 1.00 41.42 H new ATOM 0 HE22 GLN A 57 -7.077 13.474 1.947 1.00 41.42 H new ATOM 907 N LEU A 58 -2.013 9.923 3.988 1.00 51.43 N ATOM 908 CA LEU A 58 -1.054 8.821 3.839 1.00 54.35 C ATOM 909 C LEU A 58 -1.692 7.468 4.209 1.00 31.12 C ATOM 910 O LEU A 58 -1.461 6.453 3.543 1.00 11.22 O ATOM 911 CB LEU A 58 0.181 9.084 4.715 1.00 53.54 C ATOM 912 CG LEU A 58 0.851 10.457 4.511 1.00 41.14 C ATOM 913 CD1 LEU A 58 2.077 10.598 5.408 1.00 54.20 C ATOM 914 CD2 LEU A 58 1.227 10.672 3.045 1.00 12.22 C ATOM 0 H LEU A 58 -1.983 10.384 4.897 1.00 51.43 H new ATOM 0 HA LEU A 58 -0.752 8.771 2.793 1.00 54.35 H new ATOM 0 HB2 LEU A 58 -0.110 8.991 5.761 1.00 53.54 H new ATOM 0 HB3 LEU A 58 0.918 8.305 4.519 1.00 53.54 H new ATOM 0 HG LEU A 58 0.131 11.227 4.790 1.00 41.14 H new ATOM 0 HD11 LEU A 58 2.535 11.574 5.248 1.00 54.20 H new ATOM 0 HD12 LEU A 58 1.777 10.505 6.452 1.00 54.20 H new ATOM 0 HD13 LEU A 58 2.797 9.816 5.166 1.00 54.20 H new ATOM 0 HD21 LEU A 58 1.698 11.648 2.930 1.00 12.22 H new ATOM 0 HD22 LEU A 58 1.923 9.894 2.730 1.00 12.22 H new ATOM 0 HD23 LEU A 58 0.329 10.627 2.429 1.00 12.22 H new ATOM 926 N ILE A 59 -2.499 7.461 5.273 1.00 43.31 N ATOM 927 CA ILE A 59 -3.193 6.247 5.723 1.00 72.22 C ATOM 928 C ILE A 59 -4.158 5.710 4.650 1.00 61.41 C ATOM 929 O ILE A 59 -4.062 4.550 4.245 1.00 73.01 O ATOM 930 CB ILE A 59 -3.981 6.506 7.038 1.00 13.42 C ATOM 931 CG1 ILE A 59 -3.027 6.951 8.163 1.00 70.21 C ATOM 932 CG2 ILE A 59 -4.765 5.260 7.457 1.00 14.31 C ATOM 933 CD1 ILE A 59 -1.968 5.925 8.516 1.00 11.15 C ATOM 0 H ILE A 59 -2.690 8.285 5.843 1.00 43.31 H new ATOM 0 HA ILE A 59 -2.423 5.497 5.906 1.00 72.22 H new ATOM 0 HB ILE A 59 -4.694 7.310 6.854 1.00 13.42 H new ATOM 0 HG12 ILE A 59 -2.536 7.877 7.864 1.00 70.21 H new ATOM 0 HG13 ILE A 59 -3.613 7.175 9.055 1.00 70.21 H new ATOM 0 HG21 ILE A 59 -5.308 5.465 8.379 1.00 14.31 H new ATOM 0 HG22 ILE A 59 -5.472 4.993 6.671 1.00 14.31 H new ATOM 0 HG23 ILE A 59 -4.074 4.433 7.619 1.00 14.31 H new ATOM 0 HD11 ILE A 59 -1.337 6.314 9.315 1.00 11.15 H new ATOM 0 HD12 ILE A 59 -2.449 5.005 8.848 1.00 11.15 H new ATOM 0 HD13 ILE A 59 -1.355 5.718 7.639 1.00 11.15 H new ATOM 945 N GLU A 60 -5.073 6.568 4.186 1.00 61.41 N ATOM 946 CA GLU A 60 -6.061 6.194 3.161 1.00 32.24 C ATOM 947 C GLU A 60 -5.389 5.613 1.909 1.00 52.54 C ATOM 948 O GLU A 60 -5.799 4.570 1.403 1.00 44.33 O ATOM 949 CB GLU A 60 -6.906 7.417 2.768 1.00 13.33 C ATOM 950 CG GLU A 60 -7.786 7.953 3.890 1.00 60.32 C ATOM 951 CD GLU A 60 -8.909 7.000 4.261 1.00 1.14 C ATOM 952 OE1 GLU A 60 -9.952 7.013 3.573 1.00 52.13 O ATOM 953 OE2 GLU A 60 -8.755 6.233 5.232 1.00 44.33 O ATOM 0 H GLU A 60 -5.152 7.534 4.505 1.00 61.41 H new ATOM 0 HA GLU A 60 -6.702 5.425 3.591 1.00 32.24 H new ATOM 0 HB2 GLU A 60 -6.240 8.212 2.432 1.00 13.33 H new ATOM 0 HB3 GLU A 60 -7.538 7.151 1.921 1.00 13.33 H new ATOM 0 HG2 GLU A 60 -7.171 8.143 4.770 1.00 60.32 H new ATOM 0 HG3 GLU A 60 -8.212 8.909 3.587 1.00 60.32 H new ATOM 960 N THR A 61 -4.352 6.297 1.423 1.00 72.51 N ATOM 961 CA THR A 61 -3.621 5.863 0.225 1.00 25.13 C ATOM 962 C THR A 61 -3.108 4.424 0.363 1.00 62.04 C ATOM 963 O THR A 61 -3.354 3.584 -0.501 1.00 23.14 O ATOM 964 CB THR A 61 -2.426 6.804 -0.081 1.00 32.44 C ATOM 965 OG1 THR A 61 -2.907 8.136 -0.313 1.00 13.24 O ATOM 966 CG2 THR A 61 -1.639 6.331 -1.300 1.00 53.55 C ATOM 0 H THR A 61 -3.996 7.157 1.840 1.00 72.51 H new ATOM 0 HA THR A 61 -4.330 5.905 -0.602 1.00 25.13 H new ATOM 0 HB THR A 61 -1.760 6.791 0.781 1.00 32.44 H new ATOM 0 HG1 THR A 61 -2.996 8.605 0.543 1.00 13.24 H new ATOM 0 HG21 THR A 61 -0.810 7.014 -1.485 1.00 53.55 H new ATOM 0 HG22 THR A 61 -1.250 5.329 -1.116 1.00 53.55 H new ATOM 0 HG23 THR A 61 -2.294 6.312 -2.171 1.00 53.55 H new ATOM 974 N THR A 62 -2.410 4.140 1.461 1.00 74.04 N ATOM 975 CA THR A 62 -1.865 2.798 1.706 1.00 21.22 C ATOM 976 C THR A 62 -2.989 1.768 1.903 1.00 51.53 C ATOM 977 O THR A 62 -3.000 0.712 1.268 1.00 21.11 O ATOM 978 CB THR A 62 -0.938 2.776 2.948 1.00 12.23 C ATOM 979 OG1 THR A 62 0.080 3.779 2.825 1.00 25.15 O ATOM 980 CG2 THR A 62 -0.282 1.408 3.119 1.00 71.11 C ATOM 0 H THR A 62 -2.207 4.817 2.196 1.00 74.04 H new ATOM 0 HA THR A 62 -1.282 2.533 0.824 1.00 21.22 H new ATOM 0 HB THR A 62 -1.551 2.983 3.825 1.00 12.23 H new ATOM 0 HG1 THR A 62 -0.301 4.659 3.029 1.00 25.15 H new ATOM 0 HG21 THR A 62 0.363 1.421 3.998 1.00 71.11 H new ATOM 0 HG22 THR A 62 -1.053 0.648 3.246 1.00 71.11 H new ATOM 0 HG23 THR A 62 0.313 1.177 2.236 1.00 71.11 H new ATOM 988 N ASN A 63 -3.938 2.100 2.777 1.00 22.13 N ATOM 989 CA ASN A 63 -5.098 1.242 3.060 1.00 41.24 C ATOM 990 C ASN A 63 -5.845 0.859 1.768 1.00 70.25 C ATOM 991 O ASN A 63 -6.302 -0.276 1.608 1.00 73.23 O ATOM 992 CB ASN A 63 -6.047 1.970 4.028 1.00 51.33 C ATOM 993 CG ASN A 63 -7.325 1.200 4.308 1.00 62.13 C ATOM 994 OD1 ASN A 63 -7.393 0.395 5.227 1.00 2.41 O ATOM 995 ND2 ASN A 63 -8.359 1.462 3.537 1.00 70.25 N ATOM 0 H ASN A 63 -3.929 2.969 3.311 1.00 22.13 H new ATOM 0 HA ASN A 63 -4.741 0.320 3.519 1.00 41.24 H new ATOM 0 HB2 ASN A 63 -5.527 2.151 4.968 1.00 51.33 H new ATOM 0 HB3 ASN A 63 -6.302 2.945 3.612 1.00 51.33 H new ATOM 0 HD21 ASN A 63 -9.248 0.989 3.698 1.00 70.25 H new ATOM 0 HD22 ASN A 63 -8.271 2.138 2.779 1.00 70.25 H new ATOM 1002 N ARG A 64 -5.951 1.817 0.853 1.00 3.14 N ATOM 1003 CA ARG A 64 -6.646 1.615 -0.421 1.00 11.04 C ATOM 1004 C ARG A 64 -5.788 0.805 -1.405 1.00 41.14 C ATOM 1005 O ARG A 64 -6.226 -0.217 -1.931 1.00 51.12 O ATOM 1006 CB ARG A 64 -7.003 2.982 -1.025 1.00 64.54 C ATOM 1007 CG ARG A 64 -7.968 2.922 -2.206 1.00 44.13 C ATOM 1008 CD ARG A 64 -8.222 4.311 -2.784 1.00 52.12 C ATOM 1009 NE ARG A 64 -8.598 5.273 -1.745 1.00 41.23 N ATOM 1010 CZ ARG A 64 -8.320 6.550 -1.787 1.00 30.23 C ATOM 1011 NH1 ARG A 64 -7.744 7.069 -2.823 1.00 33.55 N ATOM 1012 NH2 ARG A 64 -8.646 7.312 -0.796 1.00 51.51 N ATOM 0 H ARG A 64 -5.561 2.752 0.969 1.00 3.14 H new ATOM 0 HA ARG A 64 -7.557 1.046 -0.234 1.00 11.04 H new ATOM 0 HB2 ARG A 64 -7.441 3.606 -0.246 1.00 64.54 H new ATOM 0 HB3 ARG A 64 -6.085 3.473 -1.347 1.00 64.54 H new ATOM 0 HG2 ARG A 64 -7.559 2.273 -2.980 1.00 44.13 H new ATOM 0 HG3 ARG A 64 -8.912 2.481 -1.885 1.00 44.13 H new ATOM 0 HD2 ARG A 64 -7.326 4.661 -3.296 1.00 52.12 H new ATOM 0 HD3 ARG A 64 -9.014 4.255 -3.531 1.00 52.12 H new ATOM 0 HE ARG A 64 -9.111 4.924 -0.935 1.00 41.23 H new ATOM 0 HH11 ARG A 64 -7.501 6.480 -3.620 1.00 33.55 H new ATOM 0 HH12 ARG A 64 -7.533 8.067 -2.843 1.00 33.55 H new ATOM 0 HH21 ARG A 64 -9.119 6.917 0.017 1.00 51.51 H new ATOM 0 HH22 ARG A 64 -8.430 8.308 -0.826 1.00 51.51 H new ATOM 1026 N ALA A 65 -4.558 1.264 -1.633 1.00 33.23 N ATOM 1027 CA ALA A 65 -3.649 0.645 -2.610 1.00 71.40 C ATOM 1028 C ALA A 65 -3.434 -0.856 -2.353 1.00 22.24 C ATOM 1029 O ALA A 65 -3.430 -1.660 -3.287 1.00 62.24 O ATOM 1030 CB ALA A 65 -2.312 1.378 -2.610 1.00 4.21 C ATOM 0 H ALA A 65 -4.161 2.071 -1.151 1.00 33.23 H new ATOM 0 HA ALA A 65 -4.119 0.733 -3.590 1.00 71.40 H new ATOM 0 HB1 ALA A 65 -1.643 0.915 -3.335 1.00 4.21 H new ATOM 0 HB2 ALA A 65 -2.470 2.423 -2.877 1.00 4.21 H new ATOM 0 HB3 ALA A 65 -1.866 1.321 -1.617 1.00 4.21 H new ATOM 1036 N ILE A 66 -3.258 -1.233 -1.087 1.00 51.11 N ATOM 1037 CA ILE A 66 -3.094 -2.645 -0.718 1.00 0.23 C ATOM 1038 C ILE A 66 -4.328 -3.474 -1.118 1.00 34.45 C ATOM 1039 O ILE A 66 -4.206 -4.615 -1.571 1.00 3.33 O ATOM 1040 CB ILE A 66 -2.825 -2.802 0.802 1.00 63.44 C ATOM 1041 CG1 ILE A 66 -1.494 -2.128 1.177 1.00 73.34 C ATOM 1042 CG2 ILE A 66 -2.820 -4.277 1.209 1.00 63.13 C ATOM 1043 CD1 ILE A 66 -1.155 -2.215 2.651 1.00 44.05 C ATOM 0 H ILE A 66 -3.225 -0.585 -0.300 1.00 51.11 H new ATOM 0 HA ILE A 66 -2.230 -3.021 -1.265 1.00 0.23 H new ATOM 0 HB ILE A 66 -3.631 -2.310 1.347 1.00 63.44 H new ATOM 0 HG12 ILE A 66 -0.691 -2.588 0.602 1.00 73.34 H new ATOM 0 HG13 ILE A 66 -1.535 -1.079 0.885 1.00 73.34 H new ATOM 0 HG21 ILE A 66 -2.629 -4.359 2.279 1.00 63.13 H new ATOM 0 HG22 ILE A 66 -3.788 -4.721 0.978 1.00 63.13 H new ATOM 0 HG23 ILE A 66 -2.039 -4.803 0.660 1.00 63.13 H new ATOM 0 HD11 ILE A 66 -0.203 -1.717 2.835 1.00 44.05 H new ATOM 0 HD12 ILE A 66 -1.938 -1.729 3.234 1.00 44.05 H new ATOM 0 HD13 ILE A 66 -1.080 -3.262 2.946 1.00 44.05 H new ATOM 1055 N SER A 67 -5.514 -2.884 -0.968 1.00 34.21 N ATOM 1056 CA SER A 67 -6.771 -3.548 -1.346 1.00 43.42 C ATOM 1057 C SER A 67 -6.782 -3.916 -2.839 1.00 40.21 C ATOM 1058 O SER A 67 -7.448 -4.871 -3.248 1.00 24.54 O ATOM 1059 CB SER A 67 -7.975 -2.653 -1.012 1.00 64.02 C ATOM 1060 OG SER A 67 -8.035 -2.370 0.379 1.00 41.53 O ATOM 0 H SER A 67 -5.635 -1.946 -0.587 1.00 34.21 H new ATOM 0 HA SER A 67 -6.845 -4.470 -0.770 1.00 43.42 H new ATOM 0 HB2 SER A 67 -7.905 -1.721 -1.573 1.00 64.02 H new ATOM 0 HB3 SER A 67 -8.896 -3.145 -1.326 1.00 64.02 H new ATOM 0 HG SER A 67 -7.396 -1.659 0.596 1.00 41.53 H new ATOM 1066 N LEU A 68 -6.043 -3.155 -3.650 1.00 53.44 N ATOM 1067 CA LEU A 68 -5.874 -3.475 -5.074 1.00 24.22 C ATOM 1068 C LEU A 68 -5.082 -4.780 -5.255 1.00 23.51 C ATOM 1069 O LEU A 68 -5.522 -5.698 -5.950 1.00 3.51 O ATOM 1070 CB LEU A 68 -5.162 -2.327 -5.815 1.00 33.21 C ATOM 1071 CG LEU A 68 -6.030 -1.103 -6.174 1.00 21.44 C ATOM 1072 CD1 LEU A 68 -7.152 -1.498 -7.132 1.00 24.33 C ATOM 1073 CD2 LEU A 68 -6.600 -0.438 -4.923 1.00 11.14 C ATOM 0 H LEU A 68 -5.552 -2.314 -3.348 1.00 53.44 H new ATOM 0 HA LEU A 68 -6.868 -3.606 -5.501 1.00 24.22 H new ATOM 0 HB2 LEU A 68 -4.329 -1.987 -5.199 1.00 33.21 H new ATOM 0 HB3 LEU A 68 -4.736 -2.726 -6.735 1.00 33.21 H new ATOM 0 HG LEU A 68 -5.388 -0.377 -6.674 1.00 21.44 H new ATOM 0 HD11 LEU A 68 -7.752 -0.620 -7.372 1.00 24.33 H new ATOM 0 HD12 LEU A 68 -6.722 -1.905 -8.047 1.00 24.33 H new ATOM 0 HD13 LEU A 68 -7.784 -2.251 -6.661 1.00 24.33 H new ATOM 0 HD21 LEU A 68 -7.206 0.421 -5.212 1.00 11.14 H new ATOM 0 HD22 LEU A 68 -7.218 -1.153 -4.380 1.00 11.14 H new ATOM 0 HD23 LEU A 68 -5.783 -0.106 -4.283 1.00 11.14 H new ATOM 1085 N TYR A 69 -3.921 -4.871 -4.605 1.00 50.02 N ATOM 1086 CA TYR A 69 -3.064 -6.061 -4.713 1.00 44.44 C ATOM 1087 C TYR A 69 -3.516 -7.181 -3.762 1.00 65.52 C ATOM 1088 O TYR A 69 -2.775 -8.130 -3.500 1.00 62.52 O ATOM 1089 CB TYR A 69 -1.599 -5.678 -4.467 1.00 15.03 C ATOM 1090 CG TYR A 69 -1.064 -4.738 -5.529 1.00 52.11 C ATOM 1091 CD1 TYR A 69 -0.772 -5.205 -6.806 1.00 42.55 C ATOM 1092 CD2 TYR A 69 -0.877 -3.385 -5.267 1.00 45.01 C ATOM 1093 CE1 TYR A 69 -0.309 -4.354 -7.790 1.00 34.12 C ATOM 1094 CE2 TYR A 69 -0.409 -2.530 -6.246 1.00 55.42 C ATOM 1095 CZ TYR A 69 -0.130 -3.020 -7.506 1.00 34.22 C ATOM 1096 OH TYR A 69 0.325 -2.169 -8.488 1.00 12.43 O ATOM 0 H TYR A 69 -3.550 -4.139 -3.999 1.00 50.02 H new ATOM 0 HA TYR A 69 -3.157 -6.453 -5.726 1.00 44.44 H new ATOM 0 HB2 TYR A 69 -1.508 -5.206 -3.489 1.00 15.03 H new ATOM 0 HB3 TYR A 69 -0.989 -6.581 -4.443 1.00 15.03 H new ATOM 0 HD1 TYR A 69 -0.910 -6.252 -7.032 1.00 42.55 H new ATOM 0 HD2 TYR A 69 -1.101 -2.997 -4.284 1.00 45.01 H new ATOM 0 HE1 TYR A 69 -0.089 -4.734 -8.777 1.00 34.12 H new ATOM 0 HE2 TYR A 69 -0.262 -1.483 -6.027 1.00 55.42 H new ATOM 0 HH TYR A 69 0.029 -2.493 -9.364 1.00 12.43 H new ATOM 1106 N MET A 70 -4.738 -7.054 -3.251 1.00 24.21 N ATOM 1107 CA MET A 70 -5.393 -8.126 -2.499 1.00 4.23 C ATOM 1108 C MET A 70 -6.771 -8.440 -3.103 1.00 3.25 C ATOM 1109 O MET A 70 -6.913 -9.385 -3.873 1.00 54.30 O ATOM 1110 CB MET A 70 -5.536 -7.750 -1.017 1.00 11.14 C ATOM 1111 CG MET A 70 -4.203 -7.598 -0.293 1.00 11.15 C ATOM 1112 SD MET A 70 -3.186 -9.087 -0.381 1.00 35.12 S ATOM 1113 CE MET A 70 -4.262 -10.291 0.400 1.00 65.04 C ATOM 0 H MET A 70 -5.302 -6.209 -3.345 1.00 24.21 H new ATOM 0 HA MET A 70 -4.768 -9.016 -2.566 1.00 4.23 H new ATOM 0 HB2 MET A 70 -6.090 -6.814 -0.940 1.00 11.14 H new ATOM 0 HB3 MET A 70 -6.128 -8.514 -0.513 1.00 11.14 H new ATOM 0 HG2 MET A 70 -3.653 -6.762 -0.725 1.00 11.15 H new ATOM 0 HG3 MET A 70 -4.388 -7.351 0.752 1.00 11.15 H new ATOM 0 HE1 MET A 70 -3.682 -11.172 0.676 1.00 65.04 H new ATOM 0 HE2 MET A 70 -4.708 -9.855 1.294 1.00 65.04 H new ATOM 0 HE3 MET A 70 -5.051 -10.579 -0.295 1.00 65.04 H new ATOM 1123 N ALA A 71 -7.765 -7.608 -2.791 1.00 1.12 N ATOM 1124 CA ALA A 71 -9.142 -7.830 -3.252 1.00 20.21 C ATOM 1125 C ALA A 71 -9.244 -7.830 -4.788 1.00 74.01 C ATOM 1126 O ALA A 71 -9.755 -8.780 -5.384 1.00 44.25 O ATOM 1127 CB ALA A 71 -10.070 -6.775 -2.657 1.00 20.11 C ATOM 0 H ALA A 71 -7.645 -6.771 -2.220 1.00 1.12 H new ATOM 0 HA ALA A 71 -9.450 -8.817 -2.907 1.00 20.21 H new ATOM 0 HB1 ALA A 71 -11.088 -6.948 -3.005 1.00 20.11 H new ATOM 0 HB2 ALA A 71 -10.042 -6.838 -1.569 1.00 20.11 H new ATOM 0 HB3 ALA A 71 -9.743 -5.784 -2.971 1.00 20.11 H new ATOM 1133 N ASN A 72 -8.754 -6.765 -5.426 1.00 13.30 N ATOM 1134 CA ASN A 72 -8.789 -6.659 -6.893 1.00 25.33 C ATOM 1135 C ASN A 72 -7.961 -7.785 -7.538 1.00 33.34 C ATOM 1136 O ASN A 72 -8.382 -8.389 -8.527 1.00 10.41 O ATOM 1137 CB ASN A 72 -8.281 -5.277 -7.333 1.00 11.52 C ATOM 1138 CG ASN A 72 -8.404 -5.025 -8.828 1.00 60.12 C ATOM 1139 OD1 ASN A 72 -8.271 -5.926 -9.648 1.00 65.04 O ATOM 1140 ND2 ASN A 72 -8.681 -3.792 -9.200 1.00 65.41 N ATOM 0 H ASN A 72 -8.329 -5.965 -4.956 1.00 13.30 H new ATOM 0 HA ASN A 72 -9.820 -6.770 -7.230 1.00 25.33 H new ATOM 0 HB2 ASN A 72 -8.838 -4.508 -6.797 1.00 11.52 H new ATOM 0 HB3 ASN A 72 -7.236 -5.175 -7.042 1.00 11.52 H new ATOM 0 HD21 ASN A 72 -8.790 -3.570 -10.190 1.00 65.41 H new ATOM 0 HD22 ASN A 72 -8.787 -3.059 -8.498 1.00 65.41 H new ATOM 1147 N LEU A 73 -6.799 -8.076 -6.960 1.00 32.31 N ATOM 1148 CA LEU A 73 -5.970 -9.193 -7.422 1.00 50.11 C ATOM 1149 C LEU A 73 -6.750 -10.521 -7.352 1.00 41.54 C ATOM 1150 O LEU A 73 -6.645 -11.365 -8.245 1.00 42.11 O ATOM 1151 CB LEU A 73 -4.683 -9.283 -6.589 1.00 41.33 C ATOM 1152 CG LEU A 73 -3.688 -10.370 -7.032 1.00 12.13 C ATOM 1153 CD1 LEU A 73 -3.222 -10.130 -8.468 1.00 51.34 C ATOM 1154 CD2 LEU A 73 -2.494 -10.431 -6.078 1.00 4.14 C ATOM 0 H LEU A 73 -6.408 -7.558 -6.173 1.00 32.31 H new ATOM 0 HA LEU A 73 -5.701 -9.011 -8.462 1.00 50.11 H new ATOM 0 HB2 LEU A 73 -4.179 -8.317 -6.623 1.00 41.33 H new ATOM 0 HB3 LEU A 73 -4.955 -9.464 -5.549 1.00 41.33 H new ATOM 0 HG LEU A 73 -4.200 -11.332 -7.000 1.00 12.13 H new ATOM 0 HD11 LEU A 73 -2.519 -10.911 -8.758 1.00 51.34 H new ATOM 0 HD12 LEU A 73 -4.082 -10.149 -9.137 1.00 51.34 H new ATOM 0 HD13 LEU A 73 -2.732 -9.159 -8.534 1.00 51.34 H new ATOM 0 HD21 LEU A 73 -1.803 -11.206 -6.409 1.00 4.14 H new ATOM 0 HD22 LEU A 73 -1.984 -9.468 -6.072 1.00 4.14 H new ATOM 0 HD23 LEU A 73 -2.844 -10.663 -5.072 1.00 4.14 H new ATOM 1166 N GLU A 74 -7.545 -10.692 -6.293 1.00 2.52 N ATOM 1167 CA GLU A 74 -8.425 -11.860 -6.166 1.00 41.32 C ATOM 1168 C GLU A 74 -9.483 -11.888 -7.281 1.00 23.45 C ATOM 1169 O GLU A 74 -9.894 -12.958 -7.717 1.00 62.40 O ATOM 1170 CB GLU A 74 -9.099 -11.888 -4.785 1.00 14.43 C ATOM 1171 CG GLU A 74 -8.133 -12.155 -3.636 1.00 35.42 C ATOM 1172 CD GLU A 74 -8.815 -12.153 -2.276 1.00 52.52 C ATOM 1173 OE1 GLU A 74 -9.396 -13.192 -1.895 1.00 4.44 O ATOM 1174 OE2 GLU A 74 -8.779 -11.112 -1.583 1.00 30.23 O ATOM 0 H GLU A 74 -7.599 -10.039 -5.512 1.00 2.52 H new ATOM 0 HA GLU A 74 -7.806 -12.751 -6.268 1.00 41.32 H new ATOM 0 HB2 GLU A 74 -9.597 -10.934 -4.614 1.00 14.43 H new ATOM 0 HB3 GLU A 74 -9.872 -12.656 -4.784 1.00 14.43 H new ATOM 0 HG2 GLU A 74 -7.648 -13.119 -3.792 1.00 35.42 H new ATOM 0 HG3 GLU A 74 -7.348 -11.398 -3.644 1.00 35.42 H new ATOM 1181 N HIS A 75 -9.921 -10.714 -7.746 1.00 24.40 N ATOM 1182 CA HIS A 75 -10.833 -10.632 -8.905 1.00 42.42 C ATOM 1183 C HIS A 75 -10.109 -11.038 -10.202 1.00 21.22 C ATOM 1184 O HIS A 75 -10.734 -11.463 -11.175 1.00 53.41 O ATOM 1185 CB HIS A 75 -11.405 -9.213 -9.066 1.00 61.42 C ATOM 1186 CG HIS A 75 -12.410 -8.831 -8.025 1.00 24.32 C ATOM 1187 ND1 HIS A 75 -13.756 -9.074 -8.160 1.00 4.44 N ATOM 1188 CD2 HIS A 75 -12.264 -8.208 -6.834 1.00 32.20 C ATOM 1189 CE1 HIS A 75 -14.393 -8.620 -7.102 1.00 62.04 C ATOM 1190 NE2 HIS A 75 -13.514 -8.090 -6.276 1.00 1.10 N ATOM 0 H HIS A 75 -9.665 -9.811 -7.346 1.00 24.40 H new ATOM 0 HA HIS A 75 -11.654 -11.324 -8.719 1.00 42.42 H new ATOM 0 HB2 HIS A 75 -10.583 -8.498 -9.040 1.00 61.42 H new ATOM 0 HB3 HIS A 75 -11.869 -9.130 -10.049 1.00 61.42 H new ATOM 0 HD2 HIS A 75 -11.336 -7.866 -6.401 1.00 32.20 H new ATOM 0 HE1 HIS A 75 -15.459 -8.673 -6.938 1.00 62.04 H new ATOM 0 HE2 HIS A 75 -13.726 -7.664 -5.374 1.00 1.10 H new ATOM 1199 N HIS A 76 -8.786 -10.903 -10.198 1.00 51.14 N ATOM 1200 CA HIS A 76 -7.953 -11.238 -11.362 1.00 61.42 C ATOM 1201 C HIS A 76 -7.667 -12.757 -11.433 1.00 54.04 C ATOM 1202 O HIS A 76 -6.896 -13.217 -12.278 1.00 62.11 O ATOM 1203 CB HIS A 76 -6.637 -10.440 -11.282 1.00 15.22 C ATOM 1204 CG HIS A 76 -5.790 -10.494 -12.521 1.00 75.40 C ATOM 1205 ND1 HIS A 76 -4.767 -11.401 -12.700 1.00 52.13 N ATOM 1206 CD2 HIS A 76 -5.806 -9.730 -13.640 1.00 75.42 C ATOM 1207 CE1 HIS A 76 -4.194 -11.195 -13.869 1.00 54.34 C ATOM 1208 NE2 HIS A 76 -4.804 -10.187 -14.458 1.00 3.31 N ATOM 0 H HIS A 76 -8.258 -10.561 -9.395 1.00 51.14 H new ATOM 0 HA HIS A 76 -8.491 -10.969 -12.271 1.00 61.42 H new ATOM 0 HB2 HIS A 76 -6.873 -9.398 -11.066 1.00 15.22 H new ATOM 0 HB3 HIS A 76 -6.052 -10.815 -10.442 1.00 15.22 H new ATOM 0 HD2 HIS A 76 -6.482 -8.914 -13.849 1.00 75.42 H new ATOM 0 HE1 HIS A 76 -3.366 -11.757 -14.275 1.00 54.34 H new ATOM 0 HE2 HIS A 76 -4.569 -9.807 -15.375 1.00 3.31 H new ATOM 1217 N HIS A 77 -8.296 -13.528 -10.541 1.00 74.44 N ATOM 1218 CA HIS A 77 -8.127 -14.989 -10.507 1.00 14.22 C ATOM 1219 C HIS A 77 -9.412 -15.682 -10.010 1.00 71.15 C ATOM 1220 O HIS A 77 -9.960 -16.559 -10.681 1.00 72.13 O ATOM 1221 CB HIS A 77 -6.934 -15.357 -9.608 1.00 44.42 C ATOM 1222 CG HIS A 77 -6.633 -16.827 -9.555 1.00 23.55 C ATOM 1223 ND1 HIS A 77 -6.156 -17.540 -10.633 1.00 71.10 N ATOM 1224 CD2 HIS A 77 -6.739 -17.722 -8.542 1.00 35.11 C ATOM 1225 CE1 HIS A 77 -5.983 -18.799 -10.290 1.00 31.21 C ATOM 1226 NE2 HIS A 77 -6.330 -18.938 -9.027 1.00 60.11 N ATOM 0 H HIS A 77 -8.930 -13.165 -9.829 1.00 74.44 H new ATOM 0 HA HIS A 77 -7.929 -15.338 -11.520 1.00 14.22 H new ATOM 0 HB2 HIS A 77 -6.049 -14.829 -9.964 1.00 44.42 H new ATOM 0 HB3 HIS A 77 -7.132 -15.002 -8.597 1.00 44.42 H new ATOM 0 HD2 HIS A 77 -7.082 -17.516 -7.539 1.00 35.11 H new ATOM 0 HE1 HIS A 77 -5.618 -19.585 -10.935 1.00 31.21 H new ATOM 0 HE2 HIS A 77 -6.300 -19.808 -8.496 1.00 60.11 H new ATOM 1235 N HIS A 78 -9.875 -15.288 -8.823 1.00 51.32 N ATOM 1236 CA HIS A 78 -11.142 -15.788 -8.259 1.00 22.44 C ATOM 1237 C HIS A 78 -12.294 -14.796 -8.511 1.00 53.00 C ATOM 1238 O HIS A 78 -12.147 -13.826 -9.253 1.00 62.20 O ATOM 1239 CB HIS A 78 -11.002 -16.021 -6.745 1.00 4.40 C ATOM 1240 CG HIS A 78 -10.051 -17.113 -6.375 1.00 32.24 C ATOM 1241 ND1 HIS A 78 -9.147 -17.001 -5.344 1.00 75.04 N ATOM 1242 CD2 HIS A 78 -9.881 -18.354 -6.885 1.00 33.20 C ATOM 1243 CE1 HIS A 78 -8.464 -18.120 -5.235 1.00 73.12 C ATOM 1244 NE2 HIS A 78 -8.888 -18.960 -6.157 1.00 22.43 N ATOM 0 H HIS A 78 -9.391 -14.619 -8.225 1.00 51.32 H new ATOM 0 HA HIS A 78 -11.372 -16.731 -8.756 1.00 22.44 H new ATOM 0 HB2 HIS A 78 -10.672 -15.094 -6.276 1.00 4.40 H new ATOM 0 HB3 HIS A 78 -11.984 -16.255 -6.333 1.00 4.40 H new ATOM 0 HD2 HIS A 78 -10.425 -18.787 -7.711 1.00 33.20 H new ATOM 0 HE1 HIS A 78 -7.687 -18.317 -4.512 1.00 73.12 H new ATOM 0 HE2 HIS A 78 -8.536 -19.906 -6.305 1.00 22.43 H new