USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 786 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 7 TYR OH : rot 150:sc= -1.09 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0.0498 K(o=0.05,f=-0.83) USER MOD Single : A 17 THR OG1 : rot 97:sc= 0.608 USER MOD Single : A 24 GLN : amide:sc= -1.58 X(o=-1.6,f=-1.4) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0435 USER MOD Single : A 42 SER OG : rot 72:sc= 0.143 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.38 K(o=-1.4,f=-11!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN :FLIP amide:sc= 0.758 F(o=-1.7,f=0.76) USER MOD Single : A 62 SER OG : rot 113:sc= 1.22 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 89 GLN : amide:sc= 0.271 K(o=0.27,f=-2.5!) USER MOD Single : A 92 HIS : no HD1:sc= -0.271 X(o=-0.27,f=-0.083) USER MOD ----------------------------------------------------------------- ATOM 22 N SER A 3 6.380 -1.115 -2.997 1.00 31.41 N ATOM 23 CA SER A 3 6.594 -2.198 -3.950 1.00 52.24 C ATOM 24 C SER A 3 8.081 -2.390 -4.230 1.00 4.42 C ATOM 25 O SER A 3 8.541 -3.508 -4.458 1.00 21.25 O ATOM 26 CB SER A 3 5.851 -1.910 -5.256 1.00 40.44 C ATOM 27 OG SER A 3 4.704 -2.732 -5.383 1.00 61.11 O ATOM 0 HA SER A 3 6.203 -3.116 -3.512 1.00 52.24 H new ATOM 0 HB2 SER A 3 5.556 -0.861 -5.286 1.00 40.44 H new ATOM 0 HB3 SER A 3 6.518 -2.078 -6.102 1.00 40.44 H new ATOM 0 HG SER A 3 4.246 -2.527 -6.225 1.00 61.11 H new ATOM 33 N GLN A 4 8.827 -1.290 -4.210 1.00 43.33 N ATOM 34 CA GLN A 4 10.263 -1.336 -4.462 1.00 73.33 C ATOM 35 C GLN A 4 11.034 -1.585 -3.170 1.00 43.04 C ATOM 36 O GLN A 4 11.101 -0.717 -2.299 1.00 74.41 O ATOM 37 CB GLN A 4 10.731 -0.031 -5.107 1.00 3.41 C ATOM 38 CG GLN A 4 12.244 0.094 -5.198 1.00 14.41 C ATOM 39 CD GLN A 4 12.682 1.199 -6.139 1.00 2.55 C ATOM 40 OE1 GLN A 4 13.336 0.946 -7.151 1.00 21.14 O ATOM 41 NE2 GLN A 4 12.324 2.435 -5.809 1.00 34.20 N ATOM 0 H GLN A 4 8.461 -0.357 -4.022 1.00 43.33 H new ATOM 0 HA GLN A 4 10.461 -2.161 -5.146 1.00 73.33 H new ATOM 0 HB2 GLN A 4 10.308 0.042 -6.109 1.00 3.41 H new ATOM 0 HB3 GLN A 4 10.339 0.809 -4.534 1.00 3.41 H new ATOM 0 HG2 GLN A 4 12.649 0.286 -4.205 1.00 14.41 H new ATOM 0 HG3 GLN A 4 12.664 -0.854 -5.536 1.00 14.41 H new ATOM 0 HE21 GLN A 4 11.782 2.600 -4.961 1.00 34.20 H new ATOM 0 HE22 GLN A 4 12.591 3.219 -6.404 1.00 34.20 H new ATOM 50 N ILE A 5 11.615 -2.774 -3.054 1.00 24.22 N ATOM 51 CA ILE A 5 12.383 -3.136 -1.869 1.00 13.14 C ATOM 52 C ILE A 5 13.740 -3.717 -2.249 1.00 21.52 C ATOM 53 O ILE A 5 13.874 -4.393 -3.270 1.00 3.03 O ATOM 54 CB ILE A 5 11.626 -4.156 -0.997 1.00 53.24 C ATOM 55 CG1 ILE A 5 10.237 -3.622 -0.640 1.00 31.51 C ATOM 56 CG2 ILE A 5 12.419 -4.469 0.262 1.00 4.32 C ATOM 57 CD1 ILE A 5 9.113 -4.561 -1.020 1.00 50.45 C ATOM 0 H ILE A 5 11.569 -3.503 -3.766 1.00 24.22 H new ATOM 0 HA ILE A 5 12.530 -2.220 -1.297 1.00 13.14 H new ATOM 0 HB ILE A 5 11.505 -5.079 -1.565 1.00 53.24 H new ATOM 0 HG12 ILE A 5 10.194 -3.432 0.432 1.00 31.51 H new ATOM 0 HG13 ILE A 5 10.085 -2.665 -1.139 1.00 31.51 H new ATOM 0 HG21 ILE A 5 11.871 -5.191 0.867 1.00 4.32 H new ATOM 0 HG22 ILE A 5 13.388 -4.887 -0.013 1.00 4.32 H new ATOM 0 HG23 ILE A 5 12.568 -3.554 0.835 1.00 4.32 H new ATOM 0 HD11 ILE A 5 8.158 -4.118 -0.738 1.00 50.45 H new ATOM 0 HD12 ILE A 5 9.130 -4.732 -2.096 1.00 50.45 H new ATOM 0 HD13 ILE A 5 9.241 -5.510 -0.500 1.00 50.45 H new ATOM 69 N HIS A 6 14.745 -3.452 -1.420 1.00 32.12 N ATOM 70 CA HIS A 6 16.093 -3.951 -1.668 1.00 33.33 C ATOM 71 C HIS A 6 16.753 -4.400 -0.368 1.00 23.52 C ATOM 72 O HIS A 6 16.421 -3.909 0.711 1.00 1.10 O ATOM 73 CB HIS A 6 16.943 -2.873 -2.339 1.00 42.34 C ATOM 74 CG HIS A 6 17.026 -1.600 -1.555 1.00 13.25 C ATOM 75 ND1 HIS A 6 17.996 -1.364 -0.604 1.00 0.53 N ATOM 76 CD2 HIS A 6 16.252 -0.489 -1.585 1.00 24.31 C ATOM 77 CE1 HIS A 6 17.815 -0.163 -0.082 1.00 30.51 C ATOM 78 NE2 HIS A 6 16.764 0.388 -0.660 1.00 55.25 N ATOM 0 H HIS A 6 14.651 -2.895 -0.571 1.00 32.12 H new ATOM 0 HA HIS A 6 16.019 -4.811 -2.334 1.00 33.33 H new ATOM 0 HB2 HIS A 6 17.950 -3.261 -2.494 1.00 42.34 H new ATOM 0 HB3 HIS A 6 16.529 -2.657 -3.324 1.00 42.34 H new ATOM 0 HD2 HIS A 6 15.393 -0.323 -2.218 1.00 24.31 H new ATOM 0 HE1 HIS A 6 18.424 0.290 0.687 1.00 30.51 H new ATOM 0 HE2 HIS A 6 16.392 1.315 -0.453 1.00 55.25 H new ATOM 86 N TYR A 7 17.689 -5.337 -0.478 1.00 52.04 N ATOM 87 CA TYR A 7 18.393 -5.855 0.688 1.00 5.24 C ATOM 88 C TYR A 7 19.904 -5.801 0.481 1.00 70.13 C ATOM 89 O TYR A 7 20.381 -5.583 -0.633 1.00 5.34 O ATOM 90 CB TYR A 7 17.958 -7.292 0.977 1.00 70.42 C ATOM 91 CG TYR A 7 16.459 -7.490 0.941 1.00 3.22 C ATOM 92 CD1 TYR A 7 15.604 -6.582 1.554 1.00 63.04 C ATOM 93 CD2 TYR A 7 15.898 -8.584 0.294 1.00 64.11 C ATOM 94 CE1 TYR A 7 14.235 -6.759 1.524 1.00 34.00 C ATOM 95 CE2 TYR A 7 14.530 -8.768 0.258 1.00 33.31 C ATOM 96 CZ TYR A 7 13.702 -7.853 0.875 1.00 61.40 C ATOM 97 OH TYR A 7 12.338 -8.032 0.842 1.00 21.51 O ATOM 0 H TYR A 7 17.977 -5.753 -1.364 1.00 52.04 H new ATOM 0 HA TYR A 7 18.139 -5.227 1.542 1.00 5.24 H new ATOM 0 HB2 TYR A 7 18.421 -7.957 0.248 1.00 70.42 H new ATOM 0 HB3 TYR A 7 18.331 -7.585 1.958 1.00 70.42 H new ATOM 0 HD1 TYR A 7 16.017 -5.723 2.062 1.00 63.04 H new ATOM 0 HD2 TYR A 7 16.543 -9.303 -0.189 1.00 64.11 H new ATOM 0 HE1 TYR A 7 13.585 -6.044 2.006 1.00 34.00 H new ATOM 0 HE2 TYR A 7 14.110 -9.624 -0.250 1.00 33.31 H new ATOM 0 HH TYR A 7 12.090 -8.502 0.019 1.00 21.51 H new ATOM 107 N SER A 8 20.651 -6.003 1.562 1.00 52.43 N ATOM 108 CA SER A 8 22.107 -5.974 1.501 1.00 65.35 C ATOM 109 C SER A 8 22.695 -7.319 1.919 1.00 0.42 C ATOM 110 O SER A 8 22.436 -7.805 3.020 1.00 20.51 O ATOM 111 CB SER A 8 22.655 -4.864 2.399 1.00 42.52 C ATOM 112 OG SER A 8 22.063 -3.615 2.084 1.00 3.13 O ATOM 0 H SER A 8 20.271 -6.188 2.490 1.00 52.43 H new ATOM 0 HA SER A 8 22.399 -5.774 0.470 1.00 65.35 H new ATOM 0 HB2 SER A 8 22.462 -5.108 3.444 1.00 42.52 H new ATOM 0 HB3 SER A 8 23.737 -4.797 2.282 1.00 42.52 H new ATOM 0 HG SER A 8 22.428 -2.922 2.673 1.00 3.13 H new ATOM 118 N ILE A 9 23.487 -7.913 1.033 1.00 50.41 N ATOM 119 CA ILE A 9 24.112 -9.200 1.310 1.00 5.31 C ATOM 120 C ILE A 9 25.531 -9.253 0.753 1.00 50.20 C ATOM 121 O ILE A 9 25.753 -9.177 -0.456 1.00 21.43 O ATOM 122 CB ILE A 9 23.296 -10.362 0.716 1.00 73.22 C ATOM 123 CG1 ILE A 9 24.110 -11.657 0.752 1.00 33.22 C ATOM 124 CG2 ILE A 9 22.871 -10.037 -0.708 1.00 72.25 C ATOM 125 CD1 ILE A 9 23.342 -12.867 0.268 1.00 20.42 C ATOM 0 H ILE A 9 23.711 -7.523 0.117 1.00 50.41 H new ATOM 0 HA ILE A 9 24.145 -9.308 2.394 1.00 5.31 H new ATOM 0 HB ILE A 9 22.399 -10.502 1.319 1.00 73.22 H new ATOM 0 HG12 ILE A 9 25.002 -11.533 0.138 1.00 33.22 H new ATOM 0 HG13 ILE A 9 24.448 -11.836 1.773 1.00 33.22 H new ATOM 0 HG21 ILE A 9 22.295 -10.868 -1.114 1.00 72.25 H new ATOM 0 HG22 ILE A 9 22.258 -9.136 -0.708 1.00 72.25 H new ATOM 0 HG23 ILE A 9 23.756 -9.874 -1.323 1.00 72.25 H new ATOM 0 HD11 ILE A 9 23.981 -13.749 0.321 1.00 20.42 H new ATOM 0 HD12 ILE A 9 22.464 -13.016 0.897 1.00 20.42 H new ATOM 0 HD13 ILE A 9 23.027 -12.709 -0.763 1.00 20.42 H new ATOM 137 N PRO A 10 26.516 -9.388 1.654 1.00 53.44 N ATOM 138 CA PRO A 10 27.930 -9.457 1.275 1.00 4.45 C ATOM 139 C PRO A 10 28.276 -10.757 0.558 1.00 52.12 C ATOM 140 O PRO A 10 27.820 -11.831 0.948 1.00 74.13 O ATOM 141 CB PRO A 10 28.661 -9.377 2.618 1.00 12.43 C ATOM 142 CG PRO A 10 27.680 -9.893 3.614 1.00 4.11 C ATOM 143 CD PRO A 10 26.324 -9.484 3.110 1.00 10.45 C ATOM 0 HA PRO A 10 28.203 -8.666 0.577 1.00 4.45 H new ATOM 0 HB2 PRO A 10 29.571 -9.978 2.610 1.00 12.43 H new ATOM 0 HB3 PRO A 10 28.957 -8.353 2.847 1.00 12.43 H new ATOM 0 HG2 PRO A 10 27.751 -10.977 3.707 1.00 4.11 H new ATOM 0 HG3 PRO A 10 27.871 -9.475 4.602 1.00 4.11 H new ATOM 0 HD2 PRO A 10 25.561 -10.219 3.367 1.00 10.45 H new ATOM 0 HD3 PRO A 10 26.007 -8.533 3.537 1.00 10.45 H new ATOM 151 N GLU A 11 29.085 -10.651 -0.492 1.00 74.30 N ATOM 152 CA GLU A 11 29.490 -11.820 -1.264 1.00 21.35 C ATOM 153 C GLU A 11 29.976 -12.937 -0.344 1.00 74.32 C ATOM 154 O GLU A 11 30.344 -12.693 0.804 1.00 23.11 O ATOM 155 CB GLU A 11 30.593 -11.446 -2.256 1.00 71.42 C ATOM 156 CG GLU A 11 30.111 -10.570 -3.400 1.00 33.01 C ATOM 157 CD GLU A 11 31.164 -10.380 -4.474 1.00 23.41 C ATOM 158 OE1 GLU A 11 32.303 -10.004 -4.127 1.00 4.34 O ATOM 159 OE2 GLU A 11 30.850 -10.608 -5.661 1.00 24.23 O ATOM 0 H GLU A 11 29.472 -9.769 -0.827 1.00 74.30 H new ATOM 0 HA GLU A 11 28.621 -12.179 -1.816 1.00 21.35 H new ATOM 0 HB2 GLU A 11 31.389 -10.927 -1.722 1.00 71.42 H new ATOM 0 HB3 GLU A 11 31.026 -12.358 -2.666 1.00 71.42 H new ATOM 0 HG2 GLU A 11 29.221 -11.016 -3.844 1.00 33.01 H new ATOM 0 HG3 GLU A 11 29.818 -9.596 -3.008 1.00 33.01 H new ATOM 166 N GLU A 12 29.972 -14.163 -0.859 1.00 33.13 N ATOM 167 CA GLU A 12 30.410 -15.318 -0.083 1.00 43.45 C ATOM 168 C GLU A 12 29.489 -15.554 1.110 1.00 52.33 C ATOM 169 O GLU A 12 29.930 -15.994 2.171 1.00 42.51 O ATOM 170 CB GLU A 12 31.848 -15.119 0.400 1.00 2.32 C ATOM 171 CG GLU A 12 32.694 -16.379 0.330 1.00 32.23 C ATOM 172 CD GLU A 12 33.247 -16.786 1.682 1.00 21.22 C ATOM 173 OE1 GLU A 12 32.466 -16.820 2.656 1.00 2.34 O ATOM 174 OE2 GLU A 12 34.460 -17.071 1.766 1.00 11.23 O ATOM 0 H GLU A 12 29.671 -14.382 -1.809 1.00 33.13 H new ATOM 0 HA GLU A 12 30.369 -16.195 -0.730 1.00 43.45 H new ATOM 0 HB2 GLU A 12 32.320 -14.341 -0.201 1.00 2.32 H new ATOM 0 HB3 GLU A 12 31.830 -14.760 1.429 1.00 2.32 H new ATOM 0 HG2 GLU A 12 32.093 -17.194 -0.073 1.00 32.23 H new ATOM 0 HG3 GLU A 12 33.520 -16.220 -0.363 1.00 32.23 H new ATOM 181 N ALA A 13 28.206 -15.257 0.927 1.00 22.30 N ATOM 182 CA ALA A 13 27.222 -15.438 1.987 1.00 71.12 C ATOM 183 C ALA A 13 26.750 -16.887 2.056 1.00 0.54 C ATOM 184 O ALA A 13 25.860 -17.297 1.311 1.00 65.31 O ATOM 185 CB ALA A 13 26.039 -14.505 1.773 1.00 30.32 C ATOM 0 H ALA A 13 27.824 -14.890 0.055 1.00 22.30 H new ATOM 0 HA ALA A 13 27.697 -15.193 2.937 1.00 71.12 H new ATOM 0 HB1 ALA A 13 25.312 -14.651 2.572 1.00 30.32 H new ATOM 0 HB2 ALA A 13 26.385 -13.471 1.781 1.00 30.32 H new ATOM 0 HB3 ALA A 13 25.572 -14.724 0.813 1.00 30.32 H new ATOM 191 N LYS A 14 27.352 -17.657 2.956 1.00 32.30 N ATOM 192 CA LYS A 14 26.993 -19.061 3.124 1.00 4.42 C ATOM 193 C LYS A 14 25.491 -19.217 3.336 1.00 0.24 C ATOM 194 O LYS A 14 24.824 -18.303 3.823 1.00 3.11 O ATOM 195 CB LYS A 14 27.752 -19.664 4.309 1.00 51.53 C ATOM 196 CG LYS A 14 27.458 -18.978 5.632 1.00 40.22 C ATOM 197 CD LYS A 14 28.731 -18.485 6.299 1.00 10.13 C ATOM 198 CE LYS A 14 29.498 -19.627 6.949 1.00 50.35 C ATOM 199 NZ LYS A 14 29.984 -19.265 8.309 1.00 31.50 N ATOM 0 H LYS A 14 28.091 -17.333 3.580 1.00 32.30 H new ATOM 0 HA LYS A 14 27.270 -19.593 2.214 1.00 4.42 H new ATOM 0 HB2 LYS A 14 27.498 -20.721 4.393 1.00 51.53 H new ATOM 0 HB3 LYS A 14 28.822 -19.608 4.110 1.00 51.53 H new ATOM 0 HG2 LYS A 14 26.784 -18.137 5.465 1.00 40.22 H new ATOM 0 HG3 LYS A 14 26.943 -19.672 6.296 1.00 40.22 H new ATOM 0 HD2 LYS A 14 29.364 -17.995 5.560 1.00 10.13 H new ATOM 0 HD3 LYS A 14 28.482 -17.737 7.052 1.00 10.13 H new ATOM 0 HE2 LYS A 14 28.855 -20.505 7.015 1.00 50.35 H new ATOM 0 HE3 LYS A 14 30.346 -19.899 6.321 1.00 50.35 H new ATOM 0 HZ1 LYS A 14 30.501 -20.069 8.718 1.00 31.50 H new ATOM 0 HZ2 LYS A 14 30.617 -18.443 8.244 1.00 31.50 H new ATOM 0 HZ3 LYS A 14 29.173 -19.030 8.916 1.00 31.50 H new ATOM 213 N HIS A 15 24.964 -20.381 2.970 1.00 51.34 N ATOM 214 CA HIS A 15 23.540 -20.657 3.122 1.00 11.02 C ATOM 215 C HIS A 15 23.078 -20.357 4.545 1.00 55.22 C ATOM 216 O HIS A 15 23.565 -20.951 5.505 1.00 23.31 O ATOM 217 CB HIS A 15 23.242 -22.115 2.774 1.00 74.54 C ATOM 218 CG HIS A 15 23.699 -22.509 1.403 1.00 73.22 C ATOM 219 ND1 HIS A 15 24.969 -22.977 1.138 1.00 13.13 N ATOM 220 CD2 HIS A 15 23.047 -22.505 0.217 1.00 54.43 C ATOM 221 CE1 HIS A 15 25.078 -23.241 -0.151 1.00 65.14 C ATOM 222 NE2 HIS A 15 23.926 -22.964 -0.733 1.00 53.42 N ATOM 0 H HIS A 15 25.502 -21.148 2.566 1.00 51.34 H new ATOM 0 HA HIS A 15 22.994 -20.009 2.437 1.00 11.02 H new ATOM 0 HB2 HIS A 15 23.724 -22.761 3.508 1.00 74.54 H new ATOM 0 HB3 HIS A 15 22.169 -22.287 2.854 1.00 74.54 H new ATOM 0 HD2 HIS A 15 22.025 -22.198 0.049 1.00 54.43 H new ATOM 0 HE1 HIS A 15 25.960 -23.620 -0.646 1.00 65.14 H new ATOM 0 HE2 HIS A 15 23.722 -23.073 -1.726 1.00 53.42 H new ATOM 230 N GLY A 16 22.133 -19.429 4.672 1.00 24.21 N ATOM 231 CA GLY A 16 21.622 -19.066 5.981 1.00 40.23 C ATOM 232 C GLY A 16 22.121 -17.711 6.443 1.00 63.23 C ATOM 233 O GLY A 16 21.907 -17.320 7.591 1.00 41.25 O ATOM 0 H GLY A 16 21.713 -18.923 3.892 1.00 24.21 H new ATOM 0 HA2 GLY A 16 20.532 -19.058 5.953 1.00 40.23 H new ATOM 0 HA3 GLY A 16 21.917 -19.825 6.706 1.00 40.23 H new ATOM 237 N THR A 17 22.791 -16.992 5.547 1.00 24.23 N ATOM 238 CA THR A 17 23.325 -15.675 5.870 1.00 63.03 C ATOM 239 C THR A 17 22.239 -14.608 5.795 1.00 30.22 C ATOM 240 O THR A 17 21.354 -14.668 4.941 1.00 0.43 O ATOM 241 CB THR A 17 24.475 -15.287 4.921 1.00 24.53 C ATOM 242 OG1 THR A 17 25.578 -16.185 5.096 1.00 54.24 O ATOM 243 CG2 THR A 17 24.932 -13.859 5.179 1.00 32.44 C ATOM 0 H THR A 17 22.976 -17.300 4.592 1.00 24.23 H new ATOM 0 HA THR A 17 23.707 -15.730 6.889 1.00 63.03 H new ATOM 0 HB THR A 17 24.110 -15.355 3.896 1.00 24.53 H new ATOM 0 HG1 THR A 17 25.544 -16.883 4.409 1.00 54.24 H new ATOM 0 HG21 THR A 17 25.744 -13.608 4.497 1.00 32.44 H new ATOM 0 HG22 THR A 17 24.098 -13.175 5.017 1.00 32.44 H new ATOM 0 HG23 THR A 17 25.281 -13.769 6.208 1.00 32.44 H new ATOM 251 N PHE A 18 22.312 -13.632 6.694 1.00 30.22 N ATOM 252 CA PHE A 18 21.334 -12.551 6.730 1.00 31.21 C ATOM 253 C PHE A 18 21.382 -11.731 5.444 1.00 30.22 C ATOM 254 O PHE A 18 22.453 -11.495 4.885 1.00 51.02 O ATOM 255 CB PHE A 18 21.588 -11.645 7.936 1.00 3.32 C ATOM 256 CG PHE A 18 20.912 -10.308 7.834 1.00 14.45 C ATOM 257 CD1 PHE A 18 19.533 -10.221 7.727 1.00 51.45 C ATOM 258 CD2 PHE A 18 21.654 -9.138 7.847 1.00 11.23 C ATOM 259 CE1 PHE A 18 18.908 -8.992 7.632 1.00 51.40 C ATOM 260 CE2 PHE A 18 21.034 -7.906 7.753 1.00 4.25 C ATOM 261 CZ PHE A 18 19.659 -7.833 7.647 1.00 44.33 C ATOM 0 H PHE A 18 23.038 -13.568 7.407 1.00 30.22 H new ATOM 0 HA PHE A 18 20.342 -12.995 6.820 1.00 31.21 H new ATOM 0 HB2 PHE A 18 21.243 -12.150 8.838 1.00 3.32 H new ATOM 0 HB3 PHE A 18 22.662 -11.493 8.046 1.00 3.32 H new ATOM 0 HD1 PHE A 18 18.940 -11.124 7.718 1.00 51.45 H new ATOM 0 HD2 PHE A 18 22.729 -9.189 7.932 1.00 11.23 H new ATOM 0 HE1 PHE A 18 17.833 -8.938 7.546 1.00 51.40 H new ATOM 0 HE2 PHE A 18 21.624 -7.002 7.762 1.00 4.25 H new ATOM 0 HZ PHE A 18 19.172 -6.872 7.576 1.00 44.33 H new ATOM 271 N VAL A 19 20.213 -11.300 4.980 1.00 23.13 N ATOM 272 CA VAL A 19 20.121 -10.506 3.761 1.00 73.11 C ATOM 273 C VAL A 19 19.308 -9.237 3.992 1.00 61.02 C ATOM 274 O VAL A 19 19.740 -8.139 3.643 1.00 13.01 O ATOM 275 CB VAL A 19 19.480 -11.311 2.614 1.00 24.03 C ATOM 276 CG1 VAL A 19 19.482 -10.501 1.327 1.00 13.41 C ATOM 277 CG2 VAL A 19 20.207 -12.634 2.422 1.00 13.31 C ATOM 0 H VAL A 19 19.317 -11.488 5.430 1.00 23.13 H new ATOM 0 HA VAL A 19 21.139 -10.236 3.481 1.00 73.11 H new ATOM 0 HB VAL A 19 18.444 -11.526 2.878 1.00 24.03 H new ATOM 0 HG11 VAL A 19 19.026 -11.086 0.528 1.00 13.41 H new ATOM 0 HG12 VAL A 19 18.914 -9.582 1.474 1.00 13.41 H new ATOM 0 HG13 VAL A 19 20.508 -10.253 1.054 1.00 13.41 H new ATOM 0 HG21 VAL A 19 19.742 -13.190 1.608 1.00 13.31 H new ATOM 0 HG22 VAL A 19 21.252 -12.443 2.180 1.00 13.31 H new ATOM 0 HG23 VAL A 19 20.148 -13.218 3.340 1.00 13.31 H new ATOM 287 N GLY A 20 18.128 -9.396 4.583 1.00 12.32 N ATOM 288 CA GLY A 20 17.273 -8.254 4.851 1.00 30.13 C ATOM 289 C GLY A 20 15.841 -8.657 5.140 1.00 74.42 C ATOM 290 O GLY A 20 15.244 -9.431 4.391 1.00 55.45 O ATOM 0 H GLY A 20 17.749 -10.295 4.881 1.00 12.32 H new ATOM 0 HA2 GLY A 20 17.670 -7.699 5.701 1.00 30.13 H new ATOM 0 HA3 GLY A 20 17.292 -7.581 3.994 1.00 30.13 H new ATOM 294 N ARG A 21 15.288 -8.134 6.229 1.00 22.24 N ATOM 295 CA ARG A 21 13.918 -8.447 6.617 1.00 52.34 C ATOM 296 C ARG A 21 12.970 -8.294 5.431 1.00 73.53 C ATOM 297 O ARG A 21 12.576 -7.183 5.077 1.00 44.42 O ATOM 298 CB ARG A 21 13.469 -7.538 7.762 1.00 11.41 C ATOM 299 CG ARG A 21 14.413 -7.547 8.953 1.00 30.42 C ATOM 300 CD ARG A 21 13.681 -7.227 10.247 1.00 32.30 C ATOM 301 NE ARG A 21 14.541 -7.386 11.416 1.00 1.04 N ATOM 302 CZ ARG A 21 15.472 -6.507 11.768 1.00 4.55 C ATOM 303 NH1 ARG A 21 15.662 -5.412 11.045 1.00 2.31 N ATOM 304 NH2 ARG A 21 16.216 -6.721 12.846 1.00 33.24 N ATOM 0 H ARG A 21 15.768 -7.491 6.859 1.00 22.24 H new ATOM 0 HA ARG A 21 13.890 -9.484 6.953 1.00 52.34 H new ATOM 0 HB2 ARG A 21 13.377 -6.518 7.390 1.00 11.41 H new ATOM 0 HB3 ARG A 21 12.477 -7.847 8.093 1.00 11.41 H new ATOM 0 HG2 ARG A 21 14.888 -8.525 9.035 1.00 30.42 H new ATOM 0 HG3 ARG A 21 15.208 -6.819 8.794 1.00 30.42 H new ATOM 0 HD2 ARG A 21 13.307 -6.204 10.208 1.00 32.30 H new ATOM 0 HD3 ARG A 21 12.814 -7.880 10.344 1.00 32.30 H new ATOM 0 HE ARG A 21 14.420 -8.218 11.994 1.00 1.04 H new ATOM 0 HH11 ARG A 21 15.092 -5.243 10.216 1.00 2.31 H new ATOM 0 HH12 ARG A 21 16.378 -4.739 11.318 1.00 2.31 H new ATOM 0 HH21 ARG A 21 16.073 -7.562 13.406 1.00 33.24 H new ATOM 0 HH22 ARG A 21 16.931 -6.045 13.115 1.00 33.24 H new ATOM 318 N ILE A 22 12.608 -9.418 4.821 1.00 34.33 N ATOM 319 CA ILE A 22 11.706 -9.409 3.676 1.00 33.53 C ATOM 320 C ILE A 22 10.281 -9.069 4.101 1.00 22.41 C ATOM 321 O ILE A 22 9.594 -8.292 3.439 1.00 20.31 O ATOM 322 CB ILE A 22 11.703 -10.768 2.951 1.00 33.45 C ATOM 323 CG1 ILE A 22 10.670 -10.766 1.822 1.00 22.42 C ATOM 324 CG2 ILE A 22 11.417 -11.893 3.936 1.00 41.14 C ATOM 325 CD1 ILE A 22 10.605 -12.072 1.061 1.00 41.22 C ATOM 0 H ILE A 22 12.926 -10.346 5.101 1.00 34.33 H new ATOM 0 HA ILE A 22 12.071 -8.643 2.993 1.00 33.53 H new ATOM 0 HB ILE A 22 12.689 -10.934 2.516 1.00 33.45 H new ATOM 0 HG12 ILE A 22 9.687 -10.549 2.240 1.00 22.42 H new ATOM 0 HG13 ILE A 22 10.905 -9.961 1.126 1.00 22.42 H new ATOM 0 HG21 ILE A 22 11.418 -12.847 3.409 1.00 41.14 H new ATOM 0 HG22 ILE A 22 12.186 -11.904 4.709 1.00 41.14 H new ATOM 0 HG23 ILE A 22 10.442 -11.734 4.397 1.00 41.14 H new ATOM 0 HD11 ILE A 22 9.852 -11.999 0.276 1.00 41.22 H new ATOM 0 HD12 ILE A 22 11.577 -12.281 0.613 1.00 41.22 H new ATOM 0 HD13 ILE A 22 10.339 -12.878 1.744 1.00 41.22 H new ATOM 337 N ALA A 23 9.845 -9.656 5.211 1.00 13.31 N ATOM 338 CA ALA A 23 8.503 -9.412 5.727 1.00 5.11 C ATOM 339 C ALA A 23 8.379 -7.998 6.286 1.00 73.44 C ATOM 340 O ALA A 23 7.336 -7.358 6.150 1.00 23.45 O ATOM 341 CB ALA A 23 8.155 -10.437 6.796 1.00 0.33 C ATOM 0 H ALA A 23 10.401 -10.303 5.770 1.00 13.31 H new ATOM 0 HA ALA A 23 7.799 -9.511 4.901 1.00 5.11 H new ATOM 0 HB1 ALA A 23 7.151 -10.243 7.173 1.00 0.33 H new ATOM 0 HB2 ALA A 23 8.195 -11.438 6.367 1.00 0.33 H new ATOM 0 HB3 ALA A 23 8.870 -10.365 7.616 1.00 0.33 H new ATOM 347 N GLN A 24 9.447 -7.519 6.913 1.00 4.33 N ATOM 348 CA GLN A 24 9.456 -6.181 7.493 1.00 14.14 C ATOM 349 C GLN A 24 9.314 -5.117 6.410 1.00 45.10 C ATOM 350 O GLN A 24 8.559 -4.157 6.564 1.00 41.14 O ATOM 351 CB GLN A 24 10.745 -5.953 8.284 1.00 1.21 C ATOM 352 CG GLN A 24 10.676 -4.765 9.231 1.00 63.34 C ATOM 353 CD GLN A 24 10.724 -3.436 8.504 1.00 43.14 C ATOM 354 OE1 GLN A 24 9.793 -2.635 8.589 1.00 41.34 O ATOM 355 NE2 GLN A 24 11.813 -3.194 7.783 1.00 1.10 N ATOM 0 H GLN A 24 10.318 -8.037 7.033 1.00 4.33 H new ATOM 0 HA GLN A 24 8.605 -6.100 8.169 1.00 14.14 H new ATOM 0 HB2 GLN A 24 10.973 -6.851 8.858 1.00 1.21 H new ATOM 0 HB3 GLN A 24 11.568 -5.803 7.586 1.00 1.21 H new ATOM 0 HG2 GLN A 24 9.757 -4.823 9.814 1.00 63.34 H new ATOM 0 HG3 GLN A 24 11.505 -4.819 9.937 1.00 63.34 H new ATOM 0 HE21 GLN A 24 12.561 -3.886 7.741 1.00 1.10 H new ATOM 0 HE22 GLN A 24 11.901 -2.316 7.272 1.00 1.10 H new ATOM 364 N ASP A 25 10.046 -5.294 5.315 1.00 2.34 N ATOM 365 CA ASP A 25 10.002 -4.349 4.205 1.00 2.14 C ATOM 366 C ASP A 25 8.716 -4.514 3.402 1.00 60.11 C ATOM 367 O ASP A 25 8.400 -3.693 2.540 1.00 62.03 O ATOM 368 CB ASP A 25 11.216 -4.542 3.295 1.00 74.33 C ATOM 369 CG ASP A 25 12.522 -4.231 3.997 1.00 4.42 C ATOM 370 OD1 ASP A 25 12.507 -4.069 5.236 1.00 72.03 O ATOM 371 OD2 ASP A 25 13.561 -4.149 3.309 1.00 52.12 O ATOM 0 H ASP A 25 10.677 -6.083 5.173 1.00 2.34 H new ATOM 0 HA ASP A 25 10.024 -3.340 4.617 1.00 2.14 H new ATOM 0 HB2 ASP A 25 11.237 -5.571 2.935 1.00 74.33 H new ATOM 0 HB3 ASP A 25 11.116 -3.900 2.420 1.00 74.33 H new ATOM 376 N LEU A 26 7.978 -5.581 3.689 1.00 1.41 N ATOM 377 CA LEU A 26 6.726 -5.855 2.993 1.00 51.33 C ATOM 378 C LEU A 26 5.534 -5.340 3.793 1.00 53.43 C ATOM 379 O LEU A 26 4.582 -4.799 3.230 1.00 24.31 O ATOM 380 CB LEU A 26 6.576 -7.356 2.743 1.00 65.50 C ATOM 381 CG LEU A 26 6.949 -7.844 1.343 1.00 64.53 C ATOM 382 CD1 LEU A 26 8.362 -7.410 0.984 1.00 10.45 C ATOM 383 CD2 LEU A 26 6.816 -9.358 1.252 1.00 1.31 C ATOM 0 H LEU A 26 8.225 -6.270 4.399 1.00 1.41 H new ATOM 0 HA LEU A 26 6.750 -5.334 2.036 1.00 51.33 H new ATOM 0 HB2 LEU A 26 7.192 -7.888 3.468 1.00 65.50 H new ATOM 0 HB3 LEU A 26 5.541 -7.635 2.939 1.00 65.50 H new ATOM 0 HG LEU A 26 6.260 -7.394 0.628 1.00 64.53 H new ATOM 0 HD11 LEU A 26 8.609 -7.767 -0.016 1.00 10.45 H new ATOM 0 HD12 LEU A 26 8.425 -6.322 1.007 1.00 10.45 H new ATOM 0 HD13 LEU A 26 9.065 -7.830 1.703 1.00 10.45 H new ATOM 0 HD21 LEU A 26 7.086 -9.687 0.248 1.00 1.31 H new ATOM 0 HD22 LEU A 26 7.481 -9.826 1.978 1.00 1.31 H new ATOM 0 HD23 LEU A 26 5.786 -9.646 1.464 1.00 1.31 H new ATOM 395 N GLY A 27 5.594 -5.509 5.110 1.00 33.12 N ATOM 396 CA GLY A 27 4.514 -5.054 5.967 1.00 61.05 C ATOM 397 C GLY A 27 3.416 -6.088 6.114 1.00 74.12 C ATOM 398 O GLY A 27 2.238 -5.786 5.918 1.00 14.35 O ATOM 0 H GLY A 27 6.371 -5.953 5.599 1.00 33.12 H new ATOM 0 HA2 GLY A 27 4.914 -4.810 6.951 1.00 61.05 H new ATOM 0 HA3 GLY A 27 4.092 -4.136 5.558 1.00 61.05 H new ATOM 402 N LEU A 28 3.800 -7.312 6.457 1.00 21.35 N ATOM 403 CA LEU A 28 2.839 -8.396 6.629 1.00 30.22 C ATOM 404 C LEU A 28 3.088 -9.143 7.935 1.00 25.53 C ATOM 405 O LEU A 28 4.118 -8.954 8.582 1.00 31.22 O ATOM 406 CB LEU A 28 2.919 -9.367 5.450 1.00 41.13 C ATOM 407 CG LEU A 28 3.541 -8.814 4.167 1.00 75.24 C ATOM 408 CD1 LEU A 28 3.748 -9.927 3.151 1.00 33.43 C ATOM 409 CD2 LEU A 28 2.668 -7.713 3.583 1.00 54.04 C ATOM 0 H LEU A 28 4.771 -7.579 6.622 1.00 21.35 H new ATOM 0 HA LEU A 28 1.841 -7.960 6.666 1.00 30.22 H new ATOM 0 HB2 LEU A 28 3.493 -10.239 5.762 1.00 41.13 H new ATOM 0 HB3 LEU A 28 1.911 -9.714 5.221 1.00 41.13 H new ATOM 0 HG LEU A 28 4.514 -8.388 4.412 1.00 75.24 H new ATOM 0 HD11 LEU A 28 4.191 -9.514 2.245 1.00 33.43 H new ATOM 0 HD12 LEU A 28 4.413 -10.682 3.569 1.00 33.43 H new ATOM 0 HD13 LEU A 28 2.788 -10.383 2.910 1.00 33.43 H new ATOM 0 HD21 LEU A 28 3.126 -7.331 2.671 1.00 54.04 H new ATOM 0 HD22 LEU A 28 1.681 -8.115 3.353 1.00 54.04 H new ATOM 0 HD23 LEU A 28 2.571 -6.903 4.306 1.00 54.04 H new ATOM 421 N GLU A 29 2.140 -9.994 8.315 1.00 20.01 N ATOM 422 CA GLU A 29 2.259 -10.771 9.544 1.00 53.44 C ATOM 423 C GLU A 29 2.978 -12.091 9.285 1.00 24.21 C ATOM 424 O GLU A 29 2.702 -12.780 8.302 1.00 33.12 O ATOM 425 CB GLU A 29 0.875 -11.039 10.139 1.00 70.30 C ATOM 426 CG GLU A 29 0.483 -10.061 11.234 1.00 61.41 C ATOM 427 CD GLU A 29 -0.098 -8.773 10.685 1.00 45.22 C ATOM 428 OE1 GLU A 29 0.686 -7.846 10.390 1.00 21.32 O ATOM 429 OE2 GLU A 29 -1.336 -8.691 10.549 1.00 35.44 O ATOM 0 H GLU A 29 1.282 -10.163 7.790 1.00 20.01 H new ATOM 0 HA GLU A 29 2.847 -10.191 10.256 1.00 53.44 H new ATOM 0 HB2 GLU A 29 0.132 -10.996 9.343 1.00 70.30 H new ATOM 0 HB3 GLU A 29 0.852 -12.051 10.542 1.00 70.30 H new ATOM 0 HG2 GLU A 29 -0.246 -10.532 11.893 1.00 61.41 H new ATOM 0 HG3 GLU A 29 1.359 -9.831 11.841 1.00 61.41 H new ATOM 436 N LEU A 30 3.903 -12.438 10.173 1.00 3.44 N ATOM 437 CA LEU A 30 4.664 -13.675 10.042 1.00 23.34 C ATOM 438 C LEU A 30 3.764 -14.891 10.234 1.00 75.20 C ATOM 439 O LEU A 30 3.885 -15.887 9.519 1.00 12.32 O ATOM 440 CB LEU A 30 5.805 -13.706 11.061 1.00 1.11 C ATOM 441 CG LEU A 30 7.219 -13.590 10.490 1.00 74.14 C ATOM 442 CD1 LEU A 30 7.551 -14.805 9.638 1.00 23.51 C ATOM 443 CD2 LEU A 30 7.362 -12.312 9.677 1.00 42.32 C ATOM 0 H LEU A 30 4.144 -11.880 10.992 1.00 3.44 H new ATOM 0 HA LEU A 30 5.082 -13.710 9.036 1.00 23.34 H new ATOM 0 HB2 LEU A 30 5.654 -12.893 11.771 1.00 1.11 H new ATOM 0 HB3 LEU A 30 5.737 -14.637 11.624 1.00 1.11 H new ATOM 0 HG LEU A 30 7.924 -13.550 11.320 1.00 74.14 H new ATOM 0 HD11 LEU A 30 8.561 -14.705 9.240 1.00 23.51 H new ATOM 0 HD12 LEU A 30 7.489 -15.706 10.249 1.00 23.51 H new ATOM 0 HD13 LEU A 30 6.841 -14.876 8.814 1.00 23.51 H new ATOM 0 HD21 LEU A 30 8.374 -12.246 9.278 1.00 42.32 H new ATOM 0 HD22 LEU A 30 6.648 -12.323 8.854 1.00 42.32 H new ATOM 0 HD23 LEU A 30 7.167 -11.451 10.316 1.00 42.32 H new ATOM 455 N THR A 31 2.857 -14.803 11.203 1.00 63.33 N ATOM 456 CA THR A 31 1.935 -15.895 11.488 1.00 70.11 C ATOM 457 C THR A 31 0.730 -15.855 10.555 1.00 42.02 C ATOM 458 O THR A 31 -0.190 -16.662 10.681 1.00 54.32 O ATOM 459 CB THR A 31 1.442 -15.848 12.946 1.00 2.25 C ATOM 460 OG1 THR A 31 2.247 -14.940 13.706 1.00 4.34 O ATOM 461 CG2 THR A 31 1.492 -17.230 13.580 1.00 65.12 C ATOM 0 H THR A 31 2.742 -13.986 11.803 1.00 63.33 H new ATOM 0 HA THR A 31 2.485 -16.822 11.328 1.00 70.11 H new ATOM 0 HB THR A 31 0.408 -15.504 12.945 1.00 2.25 H new ATOM 0 HG1 THR A 31 1.926 -14.914 14.632 1.00 4.34 H new ATOM 0 HG21 THR A 31 1.139 -17.171 14.610 1.00 65.12 H new ATOM 0 HG22 THR A 31 0.855 -17.912 13.017 1.00 65.12 H new ATOM 0 HG23 THR A 31 2.518 -17.599 13.569 1.00 65.12 H new ATOM 469 N GLU A 32 0.744 -14.911 9.619 1.00 73.34 N ATOM 470 CA GLU A 32 -0.350 -14.767 8.664 1.00 25.23 C ATOM 471 C GLU A 32 0.129 -15.046 7.242 1.00 2.34 C ATOM 472 O GLU A 32 -0.615 -14.864 6.278 1.00 42.23 O ATOM 473 CB GLU A 32 -0.946 -13.361 8.747 1.00 11.31 C ATOM 474 CG GLU A 32 -2.438 -13.314 8.462 1.00 62.53 C ATOM 475 CD GLU A 32 -3.266 -13.900 9.589 1.00 62.30 C ATOM 476 OE1 GLU A 32 -2.716 -14.088 10.694 1.00 21.41 O ATOM 477 OE2 GLU A 32 -4.465 -14.170 9.365 1.00 24.33 O ATOM 0 H GLU A 32 1.499 -14.235 9.501 1.00 73.34 H new ATOM 0 HA GLU A 32 -1.120 -15.496 8.919 1.00 25.23 H new ATOM 0 HB2 GLU A 32 -0.762 -12.956 9.742 1.00 11.31 H new ATOM 0 HB3 GLU A 32 -0.429 -12.714 8.039 1.00 11.31 H new ATOM 0 HG2 GLU A 32 -2.740 -12.280 8.294 1.00 62.53 H new ATOM 0 HG3 GLU A 32 -2.646 -13.860 7.542 1.00 62.53 H new ATOM 484 N LEU A 33 1.376 -15.487 7.120 1.00 21.33 N ATOM 485 CA LEU A 33 1.956 -15.791 5.817 1.00 41.24 C ATOM 486 C LEU A 33 1.289 -17.014 5.195 1.00 4.04 C ATOM 487 O LEU A 33 1.027 -17.048 3.993 1.00 2.20 O ATOM 488 CB LEU A 33 3.461 -16.028 5.949 1.00 64.31 C ATOM 489 CG LEU A 33 4.321 -14.782 6.164 1.00 62.32 C ATOM 490 CD1 LEU A 33 5.581 -15.131 6.941 1.00 42.30 C ATOM 491 CD2 LEU A 33 4.675 -14.142 4.830 1.00 64.15 C ATOM 0 H LEU A 33 2.005 -15.642 7.908 1.00 21.33 H new ATOM 0 HA LEU A 33 1.785 -14.936 5.163 1.00 41.24 H new ATOM 0 HB2 LEU A 33 3.629 -16.709 6.783 1.00 64.31 H new ATOM 0 HB3 LEU A 33 3.809 -16.534 5.049 1.00 64.31 H new ATOM 0 HG LEU A 33 3.746 -14.063 6.748 1.00 62.32 H new ATOM 0 HD11 LEU A 33 6.181 -14.232 7.084 1.00 42.30 H new ATOM 0 HD12 LEU A 33 5.307 -15.543 7.912 1.00 42.30 H new ATOM 0 HD13 LEU A 33 6.160 -15.868 6.384 1.00 42.30 H new ATOM 0 HD21 LEU A 33 5.287 -13.257 5.002 1.00 64.15 H new ATOM 0 HD22 LEU A 33 5.231 -14.855 4.221 1.00 64.15 H new ATOM 0 HD23 LEU A 33 3.761 -13.855 4.310 1.00 64.15 H new ATOM 503 N VAL A 34 1.015 -18.017 6.024 1.00 44.13 N ATOM 504 CA VAL A 34 0.376 -19.241 5.557 1.00 72.12 C ATOM 505 C VAL A 34 -0.918 -18.935 4.810 1.00 21.04 C ATOM 506 O VAL A 34 -1.092 -19.295 3.646 1.00 31.31 O ATOM 507 CB VAL A 34 0.067 -20.195 6.726 1.00 4.44 C ATOM 508 CG1 VAL A 34 -1.173 -21.023 6.427 1.00 24.24 C ATOM 509 CG2 VAL A 34 1.262 -21.092 7.011 1.00 4.20 C ATOM 0 H VAL A 34 1.226 -18.005 7.022 1.00 44.13 H new ATOM 0 HA VAL A 34 1.079 -19.725 4.879 1.00 72.12 H new ATOM 0 HB VAL A 34 -0.131 -19.598 7.616 1.00 4.44 H new ATOM 0 HG11 VAL A 34 -1.375 -21.691 7.264 1.00 24.24 H new ATOM 0 HG12 VAL A 34 -2.025 -20.360 6.277 1.00 24.24 H new ATOM 0 HG13 VAL A 34 -1.008 -21.612 5.525 1.00 24.24 H new ATOM 0 HG21 VAL A 34 1.026 -21.760 7.840 1.00 4.20 H new ATOM 0 HG22 VAL A 34 1.494 -21.682 6.124 1.00 4.20 H new ATOM 0 HG23 VAL A 34 2.123 -20.478 7.273 1.00 4.20 H new ATOM 519 N PRO A 35 -1.849 -18.253 5.495 1.00 64.34 N ATOM 520 CA PRO A 35 -3.143 -17.882 4.916 1.00 72.24 C ATOM 521 C PRO A 35 -3.011 -16.812 3.838 1.00 43.32 C ATOM 522 O PRO A 35 -3.935 -16.587 3.056 1.00 0.44 O ATOM 523 CB PRO A 35 -3.926 -17.340 6.114 1.00 25.14 C ATOM 524 CG PRO A 35 -2.881 -16.868 7.066 1.00 12.12 C ATOM 525 CD PRO A 35 -1.709 -17.792 6.886 1.00 45.21 C ATOM 0 HA PRO A 35 -3.624 -18.726 4.421 1.00 72.24 H new ATOM 0 HB2 PRO A 35 -4.589 -16.527 5.819 1.00 25.14 H new ATOM 0 HB3 PRO A 35 -4.550 -18.113 6.562 1.00 25.14 H new ATOM 0 HG2 PRO A 35 -2.600 -15.836 6.857 1.00 12.12 H new ATOM 0 HG3 PRO A 35 -3.247 -16.897 8.092 1.00 12.12 H new ATOM 0 HD2 PRO A 35 -0.762 -17.276 7.045 1.00 45.21 H new ATOM 0 HD3 PRO A 35 -1.741 -18.623 7.590 1.00 45.21 H new ATOM 533 N ARG A 36 -1.856 -16.155 3.801 1.00 1.14 N ATOM 534 CA ARG A 36 -1.603 -15.107 2.819 1.00 34.34 C ATOM 535 C ARG A 36 -0.983 -15.688 1.552 1.00 23.22 C ATOM 536 O ARG A 36 -0.666 -14.958 0.612 1.00 32.00 O ATOM 537 CB ARG A 36 -0.681 -14.038 3.408 1.00 21.42 C ATOM 538 CG ARG A 36 -1.423 -12.908 4.102 1.00 35.33 C ATOM 539 CD ARG A 36 -2.718 -13.397 4.733 1.00 23.15 C ATOM 540 NE ARG A 36 -3.262 -12.431 5.684 1.00 71.11 N ATOM 541 CZ ARG A 36 -4.523 -12.442 6.102 1.00 51.55 C ATOM 542 NH1 ARG A 36 -5.365 -13.363 5.655 1.00 31.21 N ATOM 543 NH2 ARG A 36 -4.944 -11.529 6.968 1.00 2.10 N ATOM 0 H ARG A 36 -1.080 -16.330 4.440 1.00 1.14 H new ATOM 0 HA ARG A 36 -2.557 -14.649 2.559 1.00 34.34 H new ATOM 0 HB2 ARG A 36 -0.003 -14.508 4.121 1.00 21.42 H new ATOM 0 HB3 ARG A 36 -0.066 -13.621 2.610 1.00 21.42 H new ATOM 0 HG2 ARG A 36 -0.785 -12.470 4.870 1.00 35.33 H new ATOM 0 HG3 ARG A 36 -1.643 -12.119 3.382 1.00 35.33 H new ATOM 0 HD2 ARG A 36 -3.453 -13.589 3.951 1.00 23.15 H new ATOM 0 HD3 ARG A 36 -2.539 -14.344 5.241 1.00 23.15 H new ATOM 0 HE ARG A 36 -2.640 -11.709 6.047 1.00 71.11 H new ATOM 0 HH11 ARG A 36 -5.045 -14.066 4.988 1.00 31.21 H new ATOM 0 HH12 ARG A 36 -6.333 -13.369 5.978 1.00 31.21 H new ATOM 0 HH21 ARG A 36 -4.299 -10.818 7.313 1.00 2.10 H new ATOM 0 HH22 ARG A 36 -5.912 -11.538 7.288 1.00 2.10 H new ATOM 557 N LEU A 37 -0.811 -17.005 1.534 1.00 21.31 N ATOM 558 CA LEU A 37 -0.227 -17.685 0.383 1.00 55.03 C ATOM 559 C LEU A 37 1.083 -17.024 -0.033 1.00 71.43 C ATOM 560 O LEU A 37 1.242 -16.605 -1.180 1.00 24.11 O ATOM 561 CB LEU A 37 -1.210 -17.679 -0.790 1.00 2.51 C ATOM 562 CG LEU A 37 -2.223 -18.823 -0.823 1.00 61.31 C ATOM 563 CD1 LEU A 37 -1.518 -20.154 -1.035 1.00 60.04 C ATOM 564 CD2 LEU A 37 -3.040 -18.850 0.460 1.00 13.52 C ATOM 0 H LEU A 37 -1.068 -17.623 2.303 1.00 21.31 H new ATOM 0 HA LEU A 37 -0.017 -18.716 0.669 1.00 55.03 H new ATOM 0 HB2 LEU A 37 -1.757 -16.736 -0.775 1.00 2.51 H new ATOM 0 HB3 LEU A 37 -0.638 -17.700 -1.717 1.00 2.51 H new ATOM 0 HG LEU A 37 -2.902 -18.657 -1.659 1.00 61.31 H new ATOM 0 HD11 LEU A 37 -2.255 -20.957 -1.056 1.00 60.04 H new ATOM 0 HD12 LEU A 37 -0.978 -20.133 -1.981 1.00 60.04 H new ATOM 0 HD13 LEU A 37 -0.815 -20.327 -0.220 1.00 60.04 H new ATOM 0 HD21 LEU A 37 -3.756 -19.671 0.418 1.00 13.52 H new ATOM 0 HD22 LEU A 37 -2.375 -18.991 1.312 1.00 13.52 H new ATOM 0 HD23 LEU A 37 -3.575 -17.907 0.570 1.00 13.52 H new ATOM 576 N PHE A 38 2.019 -16.937 0.905 1.00 4.35 N ATOM 577 CA PHE A 38 3.317 -16.328 0.636 1.00 21.43 C ATOM 578 C PHE A 38 4.264 -17.332 -0.015 1.00 73.24 C ATOM 579 O PHE A 38 4.341 -18.488 0.400 1.00 23.42 O ATOM 580 CB PHE A 38 3.933 -15.796 1.932 1.00 62.22 C ATOM 581 CG PHE A 38 4.944 -14.707 1.712 1.00 72.02 C ATOM 582 CD1 PHE A 38 6.279 -15.014 1.503 1.00 33.32 C ATOM 583 CD2 PHE A 38 4.559 -13.376 1.713 1.00 71.01 C ATOM 584 CE1 PHE A 38 7.211 -14.014 1.301 1.00 13.13 C ATOM 585 CE2 PHE A 38 5.486 -12.371 1.511 1.00 24.21 C ATOM 586 CZ PHE A 38 6.814 -12.691 1.304 1.00 51.10 C ATOM 0 H PHE A 38 1.904 -17.280 1.859 1.00 4.35 H new ATOM 0 HA PHE A 38 3.165 -15.498 -0.054 1.00 21.43 H new ATOM 0 HB2 PHE A 38 3.138 -15.418 2.575 1.00 62.22 H new ATOM 0 HB3 PHE A 38 4.408 -16.620 2.464 1.00 62.22 H new ATOM 0 HD1 PHE A 38 6.595 -16.047 1.498 1.00 33.32 H new ATOM 0 HD2 PHE A 38 3.522 -13.121 1.874 1.00 71.01 H new ATOM 0 HE1 PHE A 38 8.249 -14.267 1.141 1.00 13.13 H new ATOM 0 HE2 PHE A 38 5.173 -11.337 1.515 1.00 24.21 H new ATOM 0 HZ PHE A 38 7.541 -11.908 1.145 1.00 51.10 H new ATOM 596 N ARG A 39 4.981 -16.881 -1.039 1.00 70.44 N ATOM 597 CA ARG A 39 5.921 -17.740 -1.750 1.00 50.43 C ATOM 598 C ARG A 39 6.982 -16.908 -2.466 1.00 75.43 C ATOM 599 O ARG A 39 6.705 -15.808 -2.944 1.00 10.11 O ATOM 600 CB ARG A 39 5.179 -18.618 -2.759 1.00 64.43 C ATOM 601 CG ARG A 39 4.987 -20.052 -2.293 1.00 11.04 C ATOM 602 CD ARG A 39 6.016 -20.983 -2.914 1.00 23.12 C ATOM 603 NE ARG A 39 6.718 -21.773 -1.906 1.00 25.01 N ATOM 604 CZ ARG A 39 6.207 -22.858 -1.335 1.00 61.23 C ATOM 605 NH1 ARG A 39 4.996 -23.280 -1.672 1.00 62.21 N ATOM 606 NH2 ARG A 39 6.908 -23.524 -0.426 1.00 53.20 N ATOM 0 H ARG A 39 4.929 -15.926 -1.395 1.00 70.44 H new ATOM 0 HA ARG A 39 6.417 -18.379 -1.019 1.00 50.43 H new ATOM 0 HB2 ARG A 39 4.203 -18.177 -2.963 1.00 64.43 H new ATOM 0 HB3 ARG A 39 5.730 -18.621 -3.699 1.00 64.43 H new ATOM 0 HG2 ARG A 39 5.064 -20.096 -1.207 1.00 11.04 H new ATOM 0 HG3 ARG A 39 3.984 -20.390 -2.555 1.00 11.04 H new ATOM 0 HD2 ARG A 39 5.521 -21.651 -3.619 1.00 23.12 H new ATOM 0 HD3 ARG A 39 6.738 -20.397 -3.483 1.00 23.12 H new ATOM 0 HE ARG A 39 7.652 -21.475 -1.625 1.00 25.01 H new ATOM 0 HH11 ARG A 39 4.455 -22.771 -2.371 1.00 62.21 H new ATOM 0 HH12 ARG A 39 4.606 -24.113 -1.232 1.00 62.21 H new ATOM 0 HH21 ARG A 39 7.840 -23.203 -0.165 1.00 53.20 H new ATOM 0 HH22 ARG A 39 6.514 -24.357 0.012 1.00 53.20 H new ATOM 620 N VAL A 40 8.197 -17.442 -2.536 1.00 72.44 N ATOM 621 CA VAL A 40 9.299 -16.751 -3.194 1.00 40.31 C ATOM 622 C VAL A 40 9.578 -17.345 -4.570 1.00 22.41 C ATOM 623 O VAL A 40 9.493 -18.558 -4.762 1.00 51.21 O ATOM 624 CB VAL A 40 10.585 -16.814 -2.349 1.00 42.31 C ATOM 625 CG1 VAL A 40 11.732 -16.121 -3.069 1.00 51.23 C ATOM 626 CG2 VAL A 40 10.353 -16.194 -0.979 1.00 61.23 C ATOM 0 H VAL A 40 8.443 -18.351 -2.145 1.00 72.44 H new ATOM 0 HA VAL A 40 8.997 -15.710 -3.306 1.00 40.31 H new ATOM 0 HB VAL A 40 10.855 -17.861 -2.208 1.00 42.31 H new ATOM 0 HG11 VAL A 40 12.632 -16.176 -2.457 1.00 51.23 H new ATOM 0 HG12 VAL A 40 11.913 -16.614 -4.024 1.00 51.23 H new ATOM 0 HG13 VAL A 40 11.474 -15.076 -3.243 1.00 51.23 H new ATOM 0 HG21 VAL A 40 11.272 -16.247 -0.395 1.00 61.23 H new ATOM 0 HG22 VAL A 40 10.058 -15.151 -1.097 1.00 61.23 H new ATOM 0 HG23 VAL A 40 9.563 -16.739 -0.462 1.00 61.23 H new ATOM 636 N ALA A 41 9.913 -16.483 -5.524 1.00 73.13 N ATOM 637 CA ALA A 41 10.207 -16.923 -6.882 1.00 62.23 C ATOM 638 C ALA A 41 11.263 -16.034 -7.531 1.00 23.55 C ATOM 639 O ALA A 41 11.418 -14.870 -7.164 1.00 2.32 O ATOM 640 CB ALA A 41 8.937 -16.935 -7.720 1.00 44.55 C ATOM 0 H ALA A 41 9.988 -15.476 -5.381 1.00 73.13 H new ATOM 0 HA ALA A 41 10.605 -17.937 -6.831 1.00 62.23 H new ATOM 0 HB1 ALA A 41 9.172 -17.266 -8.732 1.00 44.55 H new ATOM 0 HB2 ALA A 41 8.213 -17.617 -7.274 1.00 44.55 H new ATOM 0 HB3 ALA A 41 8.515 -15.931 -7.755 1.00 44.55 H new ATOM 646 N SER A 42 11.988 -16.592 -8.495 1.00 50.14 N ATOM 647 CA SER A 42 13.033 -15.851 -9.192 1.00 1.34 C ATOM 648 C SER A 42 13.098 -16.255 -10.661 1.00 43.44 C ATOM 649 O SER A 42 12.659 -17.341 -11.039 1.00 54.35 O ATOM 650 CB SER A 42 14.389 -16.091 -8.524 1.00 53.44 C ATOM 651 OG SER A 42 15.402 -16.304 -9.491 1.00 45.44 O ATOM 0 H SER A 42 11.871 -17.555 -8.811 1.00 50.14 H new ATOM 0 HA SER A 42 12.791 -14.790 -9.136 1.00 1.34 H new ATOM 0 HB2 SER A 42 14.649 -15.234 -7.903 1.00 53.44 H new ATOM 0 HB3 SER A 42 14.325 -16.956 -7.863 1.00 53.44 H new ATOM 0 HG SER A 42 15.605 -15.459 -9.944 1.00 45.44 H new ATOM 657 N LYS A 43 13.651 -15.372 -11.487 1.00 34.00 N ATOM 658 CA LYS A 43 13.776 -15.634 -12.916 1.00 30.43 C ATOM 659 C LYS A 43 15.155 -16.195 -13.247 1.00 22.31 C ATOM 660 O LYS A 43 15.290 -17.077 -14.096 1.00 52.51 O ATOM 661 CB LYS A 43 13.530 -14.352 -13.714 1.00 70.21 C ATOM 662 CG LYS A 43 12.073 -13.924 -13.743 1.00 1.42 C ATOM 663 CD LYS A 43 11.885 -12.641 -14.535 1.00 53.21 C ATOM 664 CE LYS A 43 10.475 -12.533 -15.095 1.00 35.42 C ATOM 665 NZ LYS A 43 10.362 -11.450 -16.110 1.00 13.41 N ATOM 0 H LYS A 43 14.020 -14.468 -11.191 1.00 34.00 H new ATOM 0 HA LYS A 43 13.026 -16.375 -13.191 1.00 30.43 H new ATOM 0 HB2 LYS A 43 14.128 -13.547 -13.286 1.00 70.21 H new ATOM 0 HB3 LYS A 43 13.877 -14.498 -14.737 1.00 70.21 H new ATOM 0 HG2 LYS A 43 11.469 -14.717 -14.184 1.00 1.42 H new ATOM 0 HG3 LYS A 43 11.715 -13.779 -12.724 1.00 1.42 H new ATOM 0 HD2 LYS A 43 12.090 -11.783 -13.894 1.00 53.21 H new ATOM 0 HD3 LYS A 43 12.606 -12.608 -15.352 1.00 53.21 H new ATOM 0 HE2 LYS A 43 10.189 -13.484 -15.545 1.00 35.42 H new ATOM 0 HE3 LYS A 43 9.775 -12.343 -14.282 1.00 35.42 H new ATOM 0 HZ1 LYS A 43 9.386 -11.409 -16.467 1.00 13.41 H new ATOM 0 HZ2 LYS A 43 10.610 -10.539 -15.674 1.00 13.41 H new ATOM 0 HZ3 LYS A 43 11.011 -11.644 -16.899 1.00 13.41 H new ATOM 679 N ASP A 44 16.176 -15.680 -12.571 1.00 22.32 N ATOM 680 CA ASP A 44 17.545 -16.132 -12.792 1.00 1.14 C ATOM 681 C ASP A 44 17.639 -17.651 -12.691 1.00 71.23 C ATOM 682 O ASP A 44 17.739 -18.345 -13.703 1.00 53.04 O ATOM 683 CB ASP A 44 18.489 -15.482 -11.778 1.00 72.24 C ATOM 684 CG ASP A 44 18.599 -13.982 -11.969 1.00 34.24 C ATOM 685 OD1 ASP A 44 17.546 -13.312 -12.018 1.00 21.22 O ATOM 686 OD2 ASP A 44 19.737 -13.478 -12.069 1.00 60.20 O ATOM 0 H ASP A 44 16.082 -14.949 -11.866 1.00 22.32 H new ATOM 0 HA ASP A 44 17.842 -15.834 -13.797 1.00 1.14 H new ATOM 0 HB2 ASP A 44 18.134 -15.692 -10.769 1.00 72.24 H new ATOM 0 HB3 ASP A 44 19.478 -15.930 -11.868 1.00 72.24 H new ATOM 691 N ARG A 45 17.607 -18.161 -11.464 1.00 62.24 N ATOM 692 CA ARG A 45 17.691 -19.598 -11.232 1.00 1.01 C ATOM 693 C ARG A 45 16.430 -20.112 -10.544 1.00 74.03 C ATOM 694 O ARG A 45 16.149 -21.310 -10.555 1.00 12.34 O ATOM 695 CB ARG A 45 18.919 -19.928 -10.381 1.00 51.30 C ATOM 696 CG ARG A 45 19.667 -21.167 -10.845 1.00 52.33 C ATOM 697 CD ARG A 45 19.254 -22.397 -10.052 1.00 54.33 C ATOM 698 NE ARG A 45 18.648 -23.418 -10.902 1.00 72.04 N ATOM 699 CZ ARG A 45 19.326 -24.123 -11.801 1.00 51.23 C ATOM 700 NH1 ARG A 45 20.625 -23.918 -11.966 1.00 25.20 N ATOM 701 NH2 ARG A 45 18.704 -25.035 -12.537 1.00 50.04 N ATOM 0 H ARG A 45 17.524 -17.601 -10.616 1.00 62.24 H new ATOM 0 HA ARG A 45 17.784 -20.092 -12.199 1.00 1.01 H new ATOM 0 HB2 ARG A 45 19.600 -19.077 -10.395 1.00 51.30 H new ATOM 0 HB3 ARG A 45 18.606 -20.069 -9.346 1.00 51.30 H new ATOM 0 HG2 ARG A 45 19.474 -21.334 -11.905 1.00 52.33 H new ATOM 0 HG3 ARG A 45 20.740 -21.007 -10.738 1.00 52.33 H new ATOM 0 HD2 ARG A 45 20.127 -22.815 -9.550 1.00 54.33 H new ATOM 0 HD3 ARG A 45 18.548 -22.107 -9.274 1.00 54.33 H new ATOM 0 HE ARG A 45 17.650 -23.600 -10.800 1.00 72.04 H new ATOM 0 HH11 ARG A 45 21.106 -23.218 -11.402 1.00 25.20 H new ATOM 0 HH12 ARG A 45 21.143 -24.461 -12.657 1.00 25.20 H new ATOM 0 HH21 ARG A 45 17.704 -25.195 -12.413 1.00 50.04 H new ATOM 0 HH22 ARG A 45 19.225 -25.576 -13.227 1.00 50.04 H new ATOM 715 N GLY A 46 15.673 -19.197 -9.947 1.00 15.34 N ATOM 716 CA GLY A 46 14.451 -19.577 -9.262 1.00 13.21 C ATOM 717 C GLY A 46 14.691 -19.954 -7.814 1.00 20.24 C ATOM 718 O GLY A 46 13.749 -20.059 -7.028 1.00 21.01 O ATOM 0 H GLY A 46 15.884 -18.199 -9.925 1.00 15.34 H new ATOM 0 HA2 GLY A 46 13.741 -18.751 -9.306 1.00 13.21 H new ATOM 0 HA3 GLY A 46 13.993 -20.418 -9.782 1.00 13.21 H new ATOM 722 N ASP A 47 15.955 -20.160 -7.460 1.00 33.43 N ATOM 723 CA ASP A 47 16.316 -20.529 -6.096 1.00 22.31 C ATOM 724 C ASP A 47 17.529 -19.735 -5.622 1.00 1.05 C ATOM 725 O ASP A 47 18.607 -20.293 -5.413 1.00 22.14 O ATOM 726 CB ASP A 47 16.607 -22.028 -6.010 1.00 65.34 C ATOM 727 CG ASP A 47 16.666 -22.526 -4.580 1.00 21.14 C ATOM 728 OD1 ASP A 47 15.832 -22.083 -3.763 1.00 50.11 O ATOM 729 OD2 ASP A 47 17.547 -23.358 -4.276 1.00 72.32 O ATOM 0 H ASP A 47 16.746 -20.078 -8.098 1.00 33.43 H new ATOM 0 HA ASP A 47 15.473 -20.293 -5.447 1.00 22.31 H new ATOM 0 HB2 ASP A 47 15.836 -22.576 -6.551 1.00 65.34 H new ATOM 0 HB3 ASP A 47 17.555 -22.240 -6.505 1.00 65.34 H new ATOM 734 N LEU A 48 17.347 -18.430 -5.454 1.00 54.13 N ATOM 735 CA LEU A 48 18.426 -17.558 -5.006 1.00 3.45 C ATOM 736 C LEU A 48 18.411 -17.409 -3.488 1.00 11.34 C ATOM 737 O LEU A 48 19.452 -17.487 -2.835 1.00 5.43 O ATOM 738 CB LEU A 48 18.306 -16.183 -5.665 1.00 54.25 C ATOM 739 CG LEU A 48 18.127 -16.181 -7.184 1.00 42.41 C ATOM 740 CD1 LEU A 48 17.366 -14.942 -7.630 1.00 41.04 C ATOM 741 CD2 LEU A 48 19.478 -16.258 -7.880 1.00 24.11 C ATOM 0 H LEU A 48 16.461 -17.952 -5.622 1.00 54.13 H new ATOM 0 HA LEU A 48 19.372 -18.013 -5.299 1.00 3.45 H new ATOM 0 HB2 LEU A 48 17.460 -15.661 -5.219 1.00 54.25 H new ATOM 0 HB3 LEU A 48 19.199 -15.607 -5.424 1.00 54.25 H new ATOM 0 HG LEU A 48 17.546 -17.060 -7.463 1.00 42.41 H new ATOM 0 HD11 LEU A 48 17.248 -14.958 -8.713 1.00 41.04 H new ATOM 0 HD12 LEU A 48 16.383 -14.929 -7.158 1.00 41.04 H new ATOM 0 HD13 LEU A 48 17.920 -14.050 -7.338 1.00 41.04 H new ATOM 0 HD21 LEU A 48 19.332 -16.256 -8.960 1.00 24.11 H new ATOM 0 HD22 LEU A 48 20.084 -15.398 -7.594 1.00 24.11 H new ATOM 0 HD23 LEU A 48 19.987 -17.175 -7.585 1.00 24.11 H new ATOM 753 N LEU A 49 17.223 -17.196 -2.931 1.00 64.43 N ATOM 754 CA LEU A 49 17.071 -17.039 -1.489 1.00 62.00 C ATOM 755 C LEU A 49 15.731 -17.595 -1.019 1.00 52.00 C ATOM 756 O LEU A 49 14.919 -18.048 -1.825 1.00 43.25 O ATOM 757 CB LEU A 49 17.188 -15.564 -1.102 1.00 3.20 C ATOM 758 CG LEU A 49 18.603 -14.982 -1.093 1.00 34.51 C ATOM 759 CD1 LEU A 49 19.017 -14.565 -2.495 1.00 63.33 C ATOM 760 CD2 LEU A 49 18.688 -13.802 -0.136 1.00 70.12 C ATOM 0 H LEU A 49 16.351 -17.128 -3.457 1.00 64.43 H new ATOM 0 HA LEU A 49 17.868 -17.601 -1.001 1.00 62.00 H new ATOM 0 HB2 LEU A 49 16.580 -14.979 -1.792 1.00 3.20 H new ATOM 0 HB3 LEU A 49 16.757 -15.434 -0.109 1.00 3.20 H new ATOM 0 HG LEU A 49 19.291 -15.754 -0.748 1.00 34.51 H new ATOM 0 HD11 LEU A 49 20.026 -14.153 -2.469 1.00 63.33 H new ATOM 0 HD12 LEU A 49 18.996 -15.433 -3.154 1.00 63.33 H new ATOM 0 HD13 LEU A 49 18.326 -13.809 -2.869 1.00 63.33 H new ATOM 0 HD21 LEU A 49 19.701 -13.401 -0.142 1.00 70.12 H new ATOM 0 HD22 LEU A 49 17.989 -13.027 -0.451 1.00 70.12 H new ATOM 0 HD23 LEU A 49 18.435 -14.132 0.872 1.00 70.12 H new ATOM 772 N GLU A 50 15.506 -17.555 0.291 1.00 53.14 N ATOM 773 CA GLU A 50 14.263 -18.054 0.867 1.00 54.41 C ATOM 774 C GLU A 50 13.941 -17.333 2.173 1.00 30.32 C ATOM 775 O GLU A 50 14.839 -16.983 2.939 1.00 13.51 O ATOM 776 CB GLU A 50 14.357 -19.561 1.113 1.00 41.12 C ATOM 777 CG GLU A 50 14.295 -20.390 -0.159 1.00 23.11 C ATOM 778 CD GLU A 50 13.065 -20.089 -0.993 1.00 1.33 C ATOM 779 OE1 GLU A 50 12.044 -19.665 -0.411 1.00 62.10 O ATOM 780 OE2 GLU A 50 13.123 -20.276 -2.226 1.00 31.32 O ATOM 0 H GLU A 50 16.168 -17.183 0.972 1.00 53.14 H new ATOM 0 HA GLU A 50 13.460 -17.859 0.157 1.00 54.41 H new ATOM 0 HB2 GLU A 50 15.290 -19.778 1.633 1.00 41.12 H new ATOM 0 HB3 GLU A 50 13.545 -19.864 1.774 1.00 41.12 H new ATOM 0 HG2 GLU A 50 15.188 -20.202 -0.755 1.00 23.11 H new ATOM 0 HG3 GLU A 50 14.303 -21.448 0.101 1.00 23.11 H new ATOM 787 N VAL A 51 12.653 -17.115 2.420 1.00 22.24 N ATOM 788 CA VAL A 51 12.212 -16.437 3.633 1.00 33.44 C ATOM 789 C VAL A 51 11.776 -17.440 4.696 1.00 72.33 C ATOM 790 O VAL A 51 11.196 -18.479 4.382 1.00 11.03 O ATOM 791 CB VAL A 51 11.046 -15.473 3.345 1.00 41.22 C ATOM 792 CG1 VAL A 51 9.939 -16.186 2.584 1.00 53.31 C ATOM 793 CG2 VAL A 51 10.516 -14.876 4.640 1.00 71.03 C ATOM 0 H VAL A 51 11.897 -17.398 1.796 1.00 22.24 H new ATOM 0 HA VAL A 51 13.063 -15.866 4.003 1.00 33.44 H new ATOM 0 HB VAL A 51 11.416 -14.659 2.722 1.00 41.22 H new ATOM 0 HG11 VAL A 51 9.124 -15.489 2.390 1.00 53.31 H new ATOM 0 HG12 VAL A 51 10.330 -16.560 1.638 1.00 53.31 H new ATOM 0 HG13 VAL A 51 9.568 -17.021 3.178 1.00 53.31 H new ATOM 0 HG21 VAL A 51 9.693 -14.197 4.418 1.00 71.03 H new ATOM 0 HG22 VAL A 51 10.162 -15.675 5.291 1.00 71.03 H new ATOM 0 HG23 VAL A 51 11.313 -14.327 5.141 1.00 71.03 H new ATOM 803 N ASN A 52 12.059 -17.121 5.954 1.00 30.35 N ATOM 804 CA ASN A 52 11.696 -17.995 7.065 1.00 51.35 C ATOM 805 C ASN A 52 10.413 -17.515 7.737 1.00 61.20 C ATOM 806 O ASN A 52 10.323 -16.370 8.182 1.00 31.20 O ATOM 807 CB ASN A 52 12.831 -18.052 8.089 1.00 43.54 C ATOM 808 CG ASN A 52 12.524 -18.988 9.241 1.00 21.01 C ATOM 809 OD1 ASN A 52 11.513 -19.690 9.232 1.00 13.05 O ATOM 810 ND2 ASN A 52 13.398 -19.002 10.241 1.00 61.33 N ATOM 0 H ASN A 52 12.538 -16.264 6.231 1.00 30.35 H new ATOM 0 HA ASN A 52 11.525 -18.995 6.667 1.00 51.35 H new ATOM 0 HB2 ASN A 52 13.747 -18.377 7.595 1.00 43.54 H new ATOM 0 HB3 ASN A 52 13.017 -17.051 8.478 1.00 43.54 H new ATOM 0 HD21 ASN A 52 13.244 -19.612 11.044 1.00 61.33 H new ATOM 0 HD22 ASN A 52 14.223 -18.403 10.206 1.00 61.33 H new ATOM 817 N LEU A 53 9.423 -18.398 7.808 1.00 62.20 N ATOM 818 CA LEU A 53 8.145 -18.066 8.427 1.00 33.20 C ATOM 819 C LEU A 53 8.286 -17.954 9.942 1.00 51.24 C ATOM 820 O LEU A 53 7.362 -17.521 10.630 1.00 51.14 O ATOM 821 CB LEU A 53 7.097 -19.125 8.078 1.00 13.52 C ATOM 822 CG LEU A 53 6.496 -19.037 6.675 1.00 15.10 C ATOM 823 CD1 LEU A 53 6.871 -20.262 5.856 1.00 70.10 C ATOM 824 CD2 LEU A 53 4.983 -18.887 6.751 1.00 21.02 C ATOM 0 H LEU A 53 9.481 -19.349 7.445 1.00 62.20 H new ATOM 0 HA LEU A 53 7.821 -17.100 8.039 1.00 33.20 H new ATOM 0 HB2 LEU A 53 7.551 -20.109 8.196 1.00 13.52 H new ATOM 0 HB3 LEU A 53 6.286 -19.058 8.804 1.00 13.52 H new ATOM 0 HG LEU A 53 6.904 -18.156 6.181 1.00 15.10 H new ATOM 0 HD11 LEU A 53 6.434 -20.182 4.861 1.00 70.10 H new ATOM 0 HD12 LEU A 53 7.956 -20.326 5.772 1.00 70.10 H new ATOM 0 HD13 LEU A 53 6.492 -21.158 6.347 1.00 70.10 H new ATOM 0 HD21 LEU A 53 4.572 -18.826 5.743 1.00 21.02 H new ATOM 0 HD22 LEU A 53 4.557 -19.749 7.265 1.00 21.02 H new ATOM 0 HD23 LEU A 53 4.735 -17.979 7.300 1.00 21.02 H new ATOM 836 N GLN A 54 9.449 -18.344 10.453 1.00 72.50 N ATOM 837 CA GLN A 54 9.711 -18.286 11.886 1.00 12.31 C ATOM 838 C GLN A 54 9.678 -16.846 12.387 1.00 15.40 C ATOM 839 O GLN A 54 8.848 -16.488 13.221 1.00 15.44 O ATOM 840 CB GLN A 54 11.067 -18.918 12.204 1.00 0.33 C ATOM 841 CG GLN A 54 11.194 -19.394 13.642 1.00 32.13 C ATOM 842 CD GLN A 54 12.127 -20.581 13.784 1.00 52.41 C ATOM 843 OE1 GLN A 54 13.336 -20.418 13.951 1.00 51.24 O ATOM 844 NE2 GLN A 54 11.569 -21.784 13.718 1.00 11.24 N ATOM 0 H GLN A 54 10.224 -18.703 9.896 1.00 72.50 H new ATOM 0 HA GLN A 54 8.928 -18.847 12.396 1.00 12.31 H new ATOM 0 HB2 GLN A 54 11.231 -19.763 11.535 1.00 0.33 H new ATOM 0 HB3 GLN A 54 11.854 -18.192 12.000 1.00 0.33 H new ATOM 0 HG2 GLN A 54 11.558 -18.574 14.261 1.00 32.13 H new ATOM 0 HG3 GLN A 54 10.208 -19.665 14.020 1.00 32.13 H new ATOM 0 HE21 GLN A 54 10.562 -21.872 13.579 1.00 11.24 H new ATOM 0 HE22 GLN A 54 12.147 -22.620 13.807 1.00 11.24 H new ATOM 853 N ASN A 55 10.586 -16.024 11.872 1.00 44.02 N ATOM 854 CA ASN A 55 10.661 -14.622 12.268 1.00 64.31 C ATOM 855 C ASN A 55 10.398 -13.706 11.077 1.00 11.31 C ATOM 856 O ASN A 55 10.013 -12.549 11.244 1.00 64.13 O ATOM 857 CB ASN A 55 12.034 -14.314 12.869 1.00 11.45 C ATOM 858 CG ASN A 55 11.966 -14.057 14.363 1.00 63.24 C ATOM 859 OD1 ASN A 55 11.820 -12.916 14.802 1.00 62.42 O ATOM 860 ND2 ASN A 55 12.073 -15.121 15.151 1.00 52.32 N ATOM 0 H ASN A 55 11.280 -16.304 11.179 1.00 44.02 H new ATOM 0 HA ASN A 55 9.893 -14.440 13.020 1.00 64.31 H new ATOM 0 HB2 ASN A 55 12.708 -15.149 12.677 1.00 11.45 H new ATOM 0 HB3 ASN A 55 12.458 -13.442 12.372 1.00 11.45 H new ATOM 0 HD21 ASN A 55 12.035 -15.011 16.164 1.00 52.32 H new ATOM 0 HD22 ASN A 55 12.193 -16.048 14.743 1.00 52.32 H new ATOM 867 N GLY A 56 10.607 -14.232 9.874 1.00 23.11 N ATOM 868 CA GLY A 56 10.387 -13.448 8.673 1.00 61.22 C ATOM 869 C GLY A 56 11.683 -13.017 8.016 1.00 25.11 C ATOM 870 O GLY A 56 11.694 -12.618 6.851 1.00 10.34 O ATOM 0 H GLY A 56 10.925 -15.187 9.710 1.00 23.11 H new ATOM 0 HA2 GLY A 56 9.801 -14.032 7.964 1.00 61.22 H new ATOM 0 HA3 GLY A 56 9.798 -12.565 8.922 1.00 61.22 H new ATOM 874 N ILE A 57 12.779 -13.096 8.764 1.00 14.14 N ATOM 875 CA ILE A 57 14.086 -12.710 8.248 1.00 53.04 C ATOM 876 C ILE A 57 14.401 -13.442 6.947 1.00 13.43 C ATOM 877 O ILE A 57 13.981 -14.582 6.746 1.00 24.35 O ATOM 878 CB ILE A 57 15.202 -12.998 9.269 1.00 42.43 C ATOM 879 CG1 ILE A 57 16.533 -12.426 8.776 1.00 23.13 C ATOM 880 CG2 ILE A 57 15.321 -14.494 9.516 1.00 61.00 C ATOM 881 CD1 ILE A 57 16.488 -10.939 8.501 1.00 74.54 C ATOM 0 H ILE A 57 12.787 -13.424 9.730 1.00 14.14 H new ATOM 0 HA ILE A 57 14.046 -11.637 8.059 1.00 53.04 H new ATOM 0 HB ILE A 57 14.946 -12.514 10.211 1.00 42.43 H new ATOM 0 HG12 ILE A 57 17.303 -12.626 9.521 1.00 23.13 H new ATOM 0 HG13 ILE A 57 16.828 -12.947 7.865 1.00 23.13 H new ATOM 0 HG21 ILE A 57 16.114 -14.681 10.240 1.00 61.00 H new ATOM 0 HG22 ILE A 57 14.377 -14.875 9.906 1.00 61.00 H new ATOM 0 HG23 ILE A 57 15.557 -15.000 8.580 1.00 61.00 H new ATOM 0 HD11 ILE A 57 17.466 -10.603 8.155 1.00 74.54 H new ATOM 0 HD12 ILE A 57 15.741 -10.733 7.734 1.00 74.54 H new ATOM 0 HD13 ILE A 57 16.224 -10.408 9.416 1.00 74.54 H new ATOM 893 N LEU A 58 15.143 -12.779 6.067 1.00 21.12 N ATOM 894 CA LEU A 58 15.517 -13.367 4.785 1.00 10.24 C ATOM 895 C LEU A 58 16.920 -13.962 4.848 1.00 40.13 C ATOM 896 O LEU A 58 17.891 -13.261 5.135 1.00 72.13 O ATOM 897 CB LEU A 58 15.446 -12.313 3.679 1.00 64.02 C ATOM 898 CG LEU A 58 15.074 -12.825 2.287 1.00 60.10 C ATOM 899 CD1 LEU A 58 16.136 -13.783 1.769 1.00 34.11 C ATOM 900 CD2 LEU A 58 13.711 -13.501 2.314 1.00 12.14 C ATOM 0 H LEU A 58 15.498 -11.834 6.217 1.00 21.12 H new ATOM 0 HA LEU A 58 14.813 -14.168 4.560 1.00 10.24 H new ATOM 0 HB2 LEU A 58 14.719 -11.556 3.972 1.00 64.02 H new ATOM 0 HB3 LEU A 58 16.414 -11.817 3.615 1.00 64.02 H new ATOM 0 HG LEU A 58 15.021 -11.973 1.610 1.00 60.10 H new ATOM 0 HD11 LEU A 58 15.854 -14.137 0.777 1.00 34.11 H new ATOM 0 HD12 LEU A 58 17.094 -13.267 1.711 1.00 34.11 H new ATOM 0 HD13 LEU A 58 16.221 -14.632 2.447 1.00 34.11 H new ATOM 0 HD21 LEU A 58 13.463 -13.859 1.315 1.00 12.14 H new ATOM 0 HD22 LEU A 58 13.736 -14.343 3.006 1.00 12.14 H new ATOM 0 HD23 LEU A 58 12.956 -12.786 2.641 1.00 12.14 H new ATOM 912 N PHE A 59 17.020 -15.259 4.575 1.00 12.31 N ATOM 913 CA PHE A 59 18.304 -15.948 4.599 1.00 64.41 C ATOM 914 C PHE A 59 18.726 -16.362 3.192 1.00 51.12 C ATOM 915 O PHE A 59 17.901 -16.438 2.282 1.00 75.34 O ATOM 916 CB PHE A 59 18.229 -17.180 5.504 1.00 64.04 C ATOM 917 CG PHE A 59 17.157 -18.153 5.105 1.00 54.55 C ATOM 918 CD1 PHE A 59 15.853 -17.984 5.542 1.00 72.11 C ATOM 919 CD2 PHE A 59 17.452 -19.236 4.292 1.00 2.54 C ATOM 920 CE1 PHE A 59 14.863 -18.877 5.176 1.00 20.03 C ATOM 921 CE2 PHE A 59 16.467 -20.131 3.923 1.00 33.41 C ATOM 922 CZ PHE A 59 15.171 -19.953 4.367 1.00 52.44 C ATOM 0 H PHE A 59 16.227 -15.854 4.335 1.00 12.31 H new ATOM 0 HA PHE A 59 19.050 -15.259 4.995 1.00 64.41 H new ATOM 0 HB2 PHE A 59 19.193 -17.689 5.492 1.00 64.04 H new ATOM 0 HB3 PHE A 59 18.052 -16.857 6.530 1.00 64.04 H new ATOM 0 HD1 PHE A 59 15.607 -17.145 6.176 1.00 72.11 H new ATOM 0 HD2 PHE A 59 18.464 -19.382 3.943 1.00 2.54 H new ATOM 0 HE1 PHE A 59 13.850 -18.733 5.522 1.00 20.03 H new ATOM 0 HE2 PHE A 59 16.710 -20.970 3.288 1.00 33.41 H new ATOM 0 HZ PHE A 59 14.400 -20.654 4.082 1.00 52.44 H new ATOM 932 N VAL A 60 20.017 -16.627 3.021 1.00 22.33 N ATOM 933 CA VAL A 60 20.550 -17.034 1.726 1.00 14.42 C ATOM 934 C VAL A 60 20.152 -18.468 1.394 1.00 4.41 C ATOM 935 O VAL A 60 20.078 -19.322 2.276 1.00 13.33 O ATOM 936 CB VAL A 60 22.085 -16.916 1.689 1.00 51.04 C ATOM 937 CG1 VAL A 60 22.629 -17.440 0.368 1.00 14.21 C ATOM 938 CG2 VAL A 60 22.514 -15.475 1.917 1.00 1.50 C ATOM 0 H VAL A 60 20.714 -16.567 3.763 1.00 22.33 H new ATOM 0 HA VAL A 60 20.124 -16.361 0.982 1.00 14.42 H new ATOM 0 HB VAL A 60 22.498 -17.526 2.492 1.00 51.04 H new ATOM 0 HG11 VAL A 60 23.715 -17.349 0.360 1.00 14.21 H new ATOM 0 HG12 VAL A 60 22.352 -18.488 0.250 1.00 14.21 H new ATOM 0 HG13 VAL A 60 22.210 -16.860 -0.454 1.00 14.21 H new ATOM 0 HG21 VAL A 60 23.602 -15.410 1.888 1.00 1.50 H new ATOM 0 HG22 VAL A 60 22.092 -14.842 1.137 1.00 1.50 H new ATOM 0 HG23 VAL A 60 22.157 -15.139 2.890 1.00 1.50 H new ATOM 948 N ASN A 61 19.899 -18.724 0.115 1.00 61.51 N ATOM 949 CA ASN A 61 19.509 -20.056 -0.335 1.00 23.04 C ATOM 950 C ASN A 61 20.059 -20.342 -1.729 1.00 24.25 C ATOM 951 O ASN A 61 19.352 -20.862 -2.592 1.00 0.15 O ATOM 952 CB ASN A 61 17.985 -20.190 -0.338 1.00 42.01 C ATOM 953 CG ASN A 61 17.532 -21.636 -0.286 1.00 32.24 C ATOM 954 OD1 ASN A 61 16.745 -21.973 0.730 1.00 43.54 O flip ATOM 955 ND2 ASN A 61 17.884 -22.441 -1.148 1.00 25.01 N flip ATOM 0 H ASN A 61 19.957 -18.028 -0.628 1.00 61.51 H new ATOM 0 HA ASN A 61 19.930 -20.784 0.358 1.00 23.04 H new ATOM 0 HB2 ASN A 61 17.574 -19.652 0.516 1.00 42.01 H new ATOM 0 HB3 ASN A 61 17.583 -19.718 -1.235 1.00 42.01 H new ATOM 0 HD21 ASN A 61 18.489 -22.139 -1.911 1.00 25.01 H new ATOM 0 HD22 ASN A 61 17.570 -23.410 -1.099 1.00 25.01 H new ATOM 962 N SER A 62 21.326 -20.000 -1.941 1.00 1.13 N ATOM 963 CA SER A 62 21.971 -20.217 -3.231 1.00 12.15 C ATOM 964 C SER A 62 23.434 -19.786 -3.186 1.00 54.51 C ATOM 965 O SER A 62 23.979 -19.511 -2.117 1.00 70.21 O ATOM 966 CB SER A 62 21.234 -19.448 -4.329 1.00 33.03 C ATOM 967 OG SER A 62 21.257 -20.161 -5.553 1.00 53.55 O ATOM 0 H SER A 62 21.926 -19.572 -1.236 1.00 1.13 H new ATOM 0 HA SER A 62 21.931 -21.283 -3.455 1.00 12.15 H new ATOM 0 HB2 SER A 62 20.202 -19.274 -4.025 1.00 33.03 H new ATOM 0 HB3 SER A 62 21.696 -18.470 -4.465 1.00 33.03 H new ATOM 0 HG SER A 62 20.350 -20.459 -5.775 1.00 53.55 H new ATOM 973 N ARG A 63 24.063 -19.728 -4.355 1.00 73.33 N ATOM 974 CA ARG A 63 25.462 -19.332 -4.451 1.00 44.11 C ATOM 975 C ARG A 63 25.601 -17.813 -4.411 1.00 3.23 C ATOM 976 O ARG A 63 25.126 -17.112 -5.305 1.00 63.42 O ATOM 977 CB ARG A 63 26.082 -19.877 -5.739 1.00 61.21 C ATOM 978 CG ARG A 63 25.348 -19.447 -6.998 1.00 54.42 C ATOM 979 CD ARG A 63 25.131 -20.617 -7.945 1.00 4.11 C ATOM 980 NE ARG A 63 25.210 -20.210 -9.345 1.00 51.22 N ATOM 981 CZ ARG A 63 25.381 -21.062 -10.350 1.00 33.02 C ATOM 982 NH1 ARG A 63 25.490 -22.361 -10.110 1.00 32.41 N ATOM 983 NH2 ARG A 63 25.442 -20.615 -11.598 1.00 1.24 N ATOM 0 H ARG A 63 23.625 -19.950 -5.249 1.00 73.33 H new ATOM 0 HA ARG A 63 25.991 -19.751 -3.595 1.00 44.11 H new ATOM 0 HB2 ARG A 63 27.118 -19.545 -5.802 1.00 61.21 H new ATOM 0 HB3 ARG A 63 26.098 -20.966 -5.692 1.00 61.21 H new ATOM 0 HG2 ARG A 63 24.385 -19.013 -6.728 1.00 54.42 H new ATOM 0 HG3 ARG A 63 25.918 -18.669 -7.505 1.00 54.42 H new ATOM 0 HD2 ARG A 63 25.878 -21.386 -7.748 1.00 4.11 H new ATOM 0 HD3 ARG A 63 24.156 -21.064 -7.752 1.00 4.11 H new ATOM 0 HE ARG A 63 25.129 -19.217 -9.563 1.00 51.22 H new ATOM 0 HH11 ARG A 63 25.443 -22.708 -9.152 1.00 32.41 H new ATOM 0 HH12 ARG A 63 25.621 -23.013 -10.883 1.00 32.41 H new ATOM 0 HH21 ARG A 63 25.358 -19.616 -11.787 1.00 1.24 H new ATOM 0 HH22 ARG A 63 25.573 -21.270 -12.369 1.00 1.24 H new ATOM 997 N ILE A 64 26.254 -17.311 -3.368 1.00 21.11 N ATOM 998 CA ILE A 64 26.456 -15.876 -3.212 1.00 14.03 C ATOM 999 C ILE A 64 27.915 -15.498 -3.440 1.00 1.33 C ATOM 1000 O ILE A 64 28.237 -14.331 -3.663 1.00 0.54 O ATOM 1001 CB ILE A 64 26.025 -15.396 -1.813 1.00 50.11 C ATOM 1002 CG1 ILE A 64 24.568 -15.778 -1.545 1.00 51.01 C ATOM 1003 CG2 ILE A 64 26.216 -13.892 -1.688 1.00 14.25 C ATOM 1004 CD1 ILE A 64 23.600 -15.222 -2.566 1.00 32.11 C ATOM 0 H ILE A 64 26.652 -17.877 -2.619 1.00 21.11 H new ATOM 0 HA ILE A 64 25.835 -15.386 -3.962 1.00 14.03 H new ATOM 0 HB ILE A 64 26.652 -15.886 -1.068 1.00 50.11 H new ATOM 0 HG12 ILE A 64 24.483 -16.865 -1.529 1.00 51.01 H new ATOM 0 HG13 ILE A 64 24.284 -15.422 -0.555 1.00 51.01 H new ATOM 0 HG21 ILE A 64 25.907 -13.567 -0.694 1.00 14.25 H new ATOM 0 HG22 ILE A 64 27.267 -13.645 -1.840 1.00 14.25 H new ATOM 0 HG23 ILE A 64 25.611 -13.385 -2.440 1.00 14.25 H new ATOM 0 HD11 ILE A 64 22.586 -15.533 -2.313 1.00 32.11 H new ATOM 0 HD12 ILE A 64 23.657 -14.133 -2.566 1.00 32.11 H new ATOM 0 HD13 ILE A 64 23.859 -15.599 -3.556 1.00 32.11 H new ATOM 1016 N ASP A 65 28.794 -16.492 -3.384 1.00 72.52 N ATOM 1017 CA ASP A 65 30.220 -16.265 -3.588 1.00 32.23 C ATOM 1018 C ASP A 65 30.456 -15.281 -4.729 1.00 72.12 C ATOM 1019 O ASP A 65 29.656 -15.193 -5.661 1.00 40.20 O ATOM 1020 CB ASP A 65 30.932 -17.587 -3.882 1.00 13.43 C ATOM 1021 CG ASP A 65 31.981 -17.923 -2.841 1.00 21.05 C ATOM 1022 OD1 ASP A 65 33.061 -17.296 -2.863 1.00 15.14 O ATOM 1023 OD2 ASP A 65 31.723 -18.814 -2.004 1.00 63.11 O ATOM 0 H ASP A 65 28.544 -17.463 -3.199 1.00 72.52 H new ATOM 0 HA ASP A 65 30.629 -15.837 -2.673 1.00 32.23 H new ATOM 0 HB2 ASP A 65 30.197 -18.391 -3.925 1.00 13.43 H new ATOM 0 HB3 ASP A 65 31.403 -17.532 -4.864 1.00 13.43 H new ATOM 1028 N ARG A 66 31.558 -14.543 -4.649 1.00 11.21 N ATOM 1029 CA ARG A 66 31.898 -13.563 -5.674 1.00 32.31 C ATOM 1030 C ARG A 66 32.202 -14.250 -7.002 1.00 42.12 C ATOM 1031 O ARG A 66 31.859 -13.740 -8.068 1.00 13.31 O ATOM 1032 CB ARG A 66 33.101 -12.728 -5.232 1.00 54.41 C ATOM 1033 CG ARG A 66 33.499 -11.657 -6.234 1.00 44.15 C ATOM 1034 CD ARG A 66 34.643 -12.123 -7.122 1.00 73.02 C ATOM 1035 NE ARG A 66 34.964 -11.146 -8.159 1.00 4.33 N ATOM 1036 CZ ARG A 66 36.007 -11.256 -8.974 1.00 41.33 C ATOM 1037 NH1 ARG A 66 36.824 -12.295 -8.874 1.00 43.05 N ATOM 1038 NH2 ARG A 66 36.234 -10.325 -9.893 1.00 33.05 N ATOM 0 H ARG A 66 32.231 -14.605 -3.885 1.00 11.21 H new ATOM 0 HA ARG A 66 31.040 -12.906 -5.813 1.00 32.31 H new ATOM 0 HB2 ARG A 66 32.873 -12.254 -4.277 1.00 54.41 H new ATOM 0 HB3 ARG A 66 33.950 -13.390 -5.064 1.00 54.41 H new ATOM 0 HG2 ARG A 66 32.639 -11.398 -6.852 1.00 44.15 H new ATOM 0 HG3 ARG A 66 33.794 -10.752 -5.703 1.00 44.15 H new ATOM 0 HD2 ARG A 66 35.526 -12.305 -6.510 1.00 73.02 H new ATOM 0 HD3 ARG A 66 34.377 -13.072 -7.588 1.00 73.02 H new ATOM 0 HE ARG A 66 34.354 -10.335 -8.263 1.00 4.33 H new ATOM 0 HH11 ARG A 66 36.653 -13.013 -8.170 1.00 43.05 H new ATOM 0 HH12 ARG A 66 37.624 -12.377 -9.501 1.00 43.05 H new ATOM 0 HH21 ARG A 66 35.607 -9.524 -9.974 1.00 33.05 H new ATOM 0 HH22 ARG A 66 37.035 -10.410 -10.518 1.00 33.05 H new ATOM 1052 N GLU A 67 32.849 -15.409 -6.929 1.00 1.11 N ATOM 1053 CA GLU A 67 33.201 -16.164 -8.126 1.00 14.20 C ATOM 1054 C GLU A 67 32.000 -16.948 -8.647 1.00 14.10 C ATOM 1055 O GLU A 67 31.915 -17.255 -9.835 1.00 54.15 O ATOM 1056 CB GLU A 67 34.359 -17.119 -7.831 1.00 73.55 C ATOM 1057 CG GLU A 67 35.597 -16.426 -7.289 1.00 21.10 C ATOM 1058 CD GLU A 67 36.743 -17.388 -7.043 1.00 4.33 C ATOM 1059 OE1 GLU A 67 36.796 -18.433 -7.724 1.00 23.44 O ATOM 1060 OE2 GLU A 67 37.587 -17.095 -6.170 1.00 31.22 O ATOM 0 H GLU A 67 33.140 -15.845 -6.054 1.00 1.11 H new ATOM 0 HA GLU A 67 33.511 -15.455 -8.894 1.00 14.20 H new ATOM 0 HB2 GLU A 67 34.027 -17.867 -7.111 1.00 73.55 H new ATOM 0 HB3 GLU A 67 34.622 -17.651 -8.745 1.00 73.55 H new ATOM 0 HG2 GLU A 67 35.917 -15.658 -7.993 1.00 21.10 H new ATOM 0 HG3 GLU A 67 35.347 -15.919 -6.357 1.00 21.10 H new ATOM 1067 N GLU A 68 31.074 -17.269 -7.748 1.00 4.32 N ATOM 1068 CA GLU A 68 29.879 -18.018 -8.117 1.00 23.34 C ATOM 1069 C GLU A 68 28.813 -17.092 -8.694 1.00 71.25 C ATOM 1070 O GLU A 68 28.341 -17.293 -9.814 1.00 53.13 O ATOM 1071 CB GLU A 68 29.321 -18.761 -6.901 1.00 32.10 C ATOM 1072 CG GLU A 68 30.333 -19.670 -6.225 1.00 64.33 C ATOM 1073 CD GLU A 68 30.580 -20.949 -7.003 1.00 11.41 C ATOM 1074 OE1 GLU A 68 29.686 -21.821 -7.008 1.00 51.32 O ATOM 1075 OE2 GLU A 68 31.666 -21.077 -7.606 1.00 31.15 O ATOM 0 H GLU A 68 31.129 -17.022 -6.760 1.00 4.32 H new ATOM 0 HA GLU A 68 30.157 -18.743 -8.881 1.00 23.34 H new ATOM 0 HB2 GLU A 68 28.958 -18.032 -6.176 1.00 32.10 H new ATOM 0 HB3 GLU A 68 28.462 -19.356 -7.212 1.00 32.10 H new ATOM 0 HG2 GLU A 68 31.275 -19.134 -6.106 1.00 64.33 H new ATOM 0 HG3 GLU A 68 29.980 -19.920 -5.225 1.00 64.33 H new ATOM 1082 N LEU A 69 28.438 -16.078 -7.923 1.00 34.00 N ATOM 1083 CA LEU A 69 27.426 -15.120 -8.357 1.00 24.13 C ATOM 1084 C LEU A 69 27.708 -14.636 -9.775 1.00 42.33 C ATOM 1085 O LEU A 69 26.953 -14.926 -10.704 1.00 23.53 O ATOM 1086 CB LEU A 69 27.380 -13.929 -7.399 1.00 1.45 C ATOM 1087 CG LEU A 69 26.006 -13.291 -7.186 1.00 25.30 C ATOM 1088 CD1 LEU A 69 25.373 -12.931 -8.521 1.00 1.43 C ATOM 1089 CD2 LEU A 69 25.100 -14.227 -6.399 1.00 64.01 C ATOM 0 H LEU A 69 28.819 -15.897 -6.994 1.00 34.00 H new ATOM 0 HA LEU A 69 26.458 -15.622 -8.350 1.00 24.13 H new ATOM 0 HB2 LEU A 69 27.762 -14.252 -6.431 1.00 1.45 H new ATOM 0 HB3 LEU A 69 28.060 -13.163 -7.771 1.00 1.45 H new ATOM 0 HG LEU A 69 26.137 -12.375 -6.610 1.00 25.30 H new ATOM 0 HD11 LEU A 69 24.396 -12.478 -8.350 1.00 1.43 H new ATOM 0 HD12 LEU A 69 26.013 -12.224 -9.048 1.00 1.43 H new ATOM 0 HD13 LEU A 69 25.255 -13.832 -9.123 1.00 1.43 H new ATOM 0 HD21 LEU A 69 24.127 -13.757 -6.257 1.00 64.01 H new ATOM 0 HD22 LEU A 69 24.976 -15.160 -6.948 1.00 64.01 H new ATOM 0 HD23 LEU A 69 25.548 -14.435 -5.427 1.00 64.01 H new ATOM 1101 N CYS A 70 28.801 -13.897 -9.937 1.00 11.04 N ATOM 1102 CA CYS A 70 29.185 -13.373 -11.242 1.00 33.21 C ATOM 1103 C CYS A 70 30.691 -13.140 -11.313 1.00 0.31 C ATOM 1104 O CYS A 70 31.362 -13.621 -12.224 1.00 63.54 O ATOM 1105 CB CYS A 70 28.441 -12.067 -11.529 1.00 60.45 C ATOM 1106 SG CYS A 70 28.178 -11.023 -10.061 1.00 11.45 S ATOM 0 H CYS A 70 29.437 -13.648 -9.179 1.00 11.04 H new ATOM 0 HA CYS A 70 28.914 -14.111 -11.997 1.00 33.21 H new ATOM 0 HB2 CYS A 70 29.001 -11.498 -12.271 1.00 60.45 H new ATOM 0 HB3 CYS A 70 27.473 -12.302 -11.972 1.00 60.45 H new ATOM 1111 N GLY A 71 31.216 -12.397 -10.343 1.00 54.41 N ATOM 1112 CA GLY A 71 32.638 -12.112 -10.314 1.00 24.14 C ATOM 1113 C GLY A 71 33.087 -11.273 -11.494 1.00 75.41 C ATOM 1114 O GLY A 71 34.283 -11.151 -11.759 1.00 34.22 O ATOM 0 H GLY A 71 30.681 -11.988 -9.577 1.00 54.41 H new ATOM 0 HA2 GLY A 71 32.882 -11.591 -9.388 1.00 24.14 H new ATOM 0 HA3 GLY A 71 33.193 -13.050 -10.307 1.00 24.14 H new ATOM 1118 N ARG A 72 32.125 -10.695 -12.206 1.00 72.32 N ATOM 1119 CA ARG A 72 32.427 -9.866 -13.367 1.00 32.32 C ATOM 1120 C ARG A 72 32.969 -8.506 -12.937 1.00 64.32 C ATOM 1121 O ARG A 72 34.167 -8.242 -13.047 1.00 54.40 O ATOM 1122 CB ARG A 72 31.175 -9.679 -14.226 1.00 62.54 C ATOM 1123 CG ARG A 72 31.001 -10.752 -15.289 1.00 53.02 C ATOM 1124 CD ARG A 72 29.972 -10.341 -16.331 1.00 61.43 C ATOM 1125 NE ARG A 72 30.033 -11.184 -17.523 1.00 24.15 N ATOM 1126 CZ ARG A 72 29.083 -11.216 -18.450 1.00 12.11 C ATOM 1127 NH1 ARG A 72 28.004 -10.456 -18.324 1.00 52.23 N ATOM 1128 NH2 ARG A 72 29.211 -12.009 -19.506 1.00 31.01 N ATOM 0 H ARG A 72 31.130 -10.785 -11.999 1.00 72.32 H new ATOM 0 HA ARG A 72 33.191 -10.373 -13.956 1.00 32.32 H new ATOM 0 HB2 ARG A 72 30.298 -9.675 -13.579 1.00 62.54 H new ATOM 0 HB3 ARG A 72 31.219 -8.703 -14.710 1.00 62.54 H new ATOM 0 HG2 ARG A 72 31.958 -10.942 -15.776 1.00 53.02 H new ATOM 0 HG3 ARG A 72 30.692 -11.685 -14.819 1.00 53.02 H new ATOM 0 HD2 ARG A 72 28.974 -10.399 -15.897 1.00 61.43 H new ATOM 0 HD3 ARG A 72 30.137 -9.301 -16.613 1.00 61.43 H new ATOM 0 HE ARG A 72 30.850 -11.781 -17.650 1.00 24.15 H new ATOM 0 HH11 ARG A 72 27.902 -9.845 -17.514 1.00 52.23 H new ATOM 0 HH12 ARG A 72 27.276 -10.482 -19.037 1.00 52.23 H new ATOM 0 HH21 ARG A 72 30.040 -12.595 -19.606 1.00 31.01 H new ATOM 0 HH22 ARG A 72 28.481 -12.033 -20.217 1.00 31.01 H new ATOM 1142 N SER A 73 32.080 -7.648 -12.448 1.00 43.23 N ATOM 1143 CA SER A 73 32.469 -6.314 -12.006 1.00 51.42 C ATOM 1144 C SER A 73 32.624 -6.268 -10.489 1.00 41.32 C ATOM 1145 O SER A 73 32.269 -7.215 -9.789 1.00 70.41 O ATOM 1146 CB SER A 73 31.432 -5.282 -12.456 1.00 22.23 C ATOM 1147 OG SER A 73 31.996 -3.983 -12.511 1.00 71.32 O ATOM 0 H SER A 73 31.086 -7.852 -12.348 1.00 43.23 H new ATOM 0 HA SER A 73 33.431 -6.074 -12.459 1.00 51.42 H new ATOM 0 HB2 SER A 73 31.044 -5.555 -13.437 1.00 22.23 H new ATOM 0 HB3 SER A 73 30.587 -5.286 -11.767 1.00 22.23 H new ATOM 0 HG SER A 73 31.314 -3.342 -12.803 1.00 71.32 H new ATOM 1153 N ALA A 74 33.157 -5.158 -9.989 1.00 23.14 N ATOM 1154 CA ALA A 74 33.358 -4.986 -8.555 1.00 60.41 C ATOM 1155 C ALA A 74 32.059 -5.209 -7.788 1.00 71.13 C ATOM 1156 O ALA A 74 32.076 -5.591 -6.619 1.00 21.22 O ATOM 1157 CB ALA A 74 33.915 -3.601 -8.262 1.00 61.14 C ATOM 0 H ALA A 74 33.457 -4.365 -10.555 1.00 23.14 H new ATOM 0 HA ALA A 74 34.079 -5.733 -8.222 1.00 60.41 H new ATOM 0 HB1 ALA A 74 34.060 -3.487 -7.188 1.00 61.14 H new ATOM 0 HB2 ALA A 74 34.870 -3.478 -8.772 1.00 61.14 H new ATOM 0 HB3 ALA A 74 33.214 -2.845 -8.616 1.00 61.14 H new ATOM 1163 N GLU A 75 30.935 -4.967 -8.455 1.00 15.31 N ATOM 1164 CA GLU A 75 29.627 -5.140 -7.834 1.00 14.22 C ATOM 1165 C GLU A 75 28.717 -5.996 -8.710 1.00 61.13 C ATOM 1166 O GLU A 75 29.093 -6.393 -9.814 1.00 1.42 O ATOM 1167 CB GLU A 75 28.974 -3.779 -7.579 1.00 63.31 C ATOM 1168 CG GLU A 75 28.544 -3.571 -6.137 1.00 3.02 C ATOM 1169 CD GLU A 75 28.485 -2.106 -5.752 1.00 12.54 C ATOM 1170 OE1 GLU A 75 28.363 -1.258 -6.661 1.00 74.31 O ATOM 1171 OE2 GLU A 75 28.561 -1.806 -4.542 1.00 12.11 O ATOM 0 H GLU A 75 30.904 -4.651 -9.424 1.00 15.31 H new ATOM 0 HA GLU A 75 29.771 -5.650 -6.882 1.00 14.22 H new ATOM 0 HB2 GLU A 75 29.674 -2.992 -7.858 1.00 63.31 H new ATOM 0 HB3 GLU A 75 28.104 -3.676 -8.227 1.00 63.31 H new ATOM 0 HG2 GLU A 75 27.564 -4.022 -5.985 1.00 3.02 H new ATOM 0 HG3 GLU A 75 29.239 -4.089 -5.476 1.00 3.02 H new ATOM 1178 N CYS A 76 27.519 -6.278 -8.211 1.00 35.12 N ATOM 1179 CA CYS A 76 26.554 -7.088 -8.946 1.00 5.12 C ATOM 1180 C CYS A 76 25.146 -6.895 -8.391 1.00 2.54 C ATOM 1181 O CYS A 76 24.934 -6.938 -7.179 1.00 21.41 O ATOM 1182 CB CYS A 76 26.942 -8.566 -8.879 1.00 24.33 C ATOM 1183 SG CYS A 76 27.275 -9.322 -10.503 1.00 34.24 S ATOM 0 H CYS A 76 27.192 -5.957 -7.299 1.00 35.12 H new ATOM 0 HA CYS A 76 26.563 -6.763 -9.986 1.00 5.12 H new ATOM 0 HB2 CYS A 76 27.828 -8.670 -8.253 1.00 24.33 H new ATOM 0 HB3 CYS A 76 26.140 -9.119 -8.390 1.00 24.33 H new ATOM 1188 N SER A 77 24.187 -6.681 -9.286 1.00 4.30 N ATOM 1189 CA SER A 77 22.800 -6.477 -8.886 1.00 71.02 C ATOM 1190 C SER A 77 21.971 -7.732 -9.141 1.00 62.42 C ATOM 1191 O SER A 77 22.167 -8.426 -10.140 1.00 20.25 O ATOM 1192 CB SER A 77 22.198 -5.292 -9.643 1.00 75.05 C ATOM 1193 OG SER A 77 21.208 -4.640 -8.866 1.00 45.41 O ATOM 0 H SER A 77 24.345 -6.644 -10.293 1.00 4.30 H new ATOM 0 HA SER A 77 22.784 -6.263 -7.817 1.00 71.02 H new ATOM 0 HB2 SER A 77 22.985 -4.584 -9.903 1.00 75.05 H new ATOM 0 HB3 SER A 77 21.760 -5.639 -10.579 1.00 75.05 H new ATOM 0 HG SER A 77 20.840 -3.885 -9.371 1.00 45.41 H new ATOM 1199 N ILE A 78 21.046 -8.017 -8.232 1.00 35.43 N ATOM 1200 CA ILE A 78 20.186 -9.188 -8.358 1.00 1.11 C ATOM 1201 C ILE A 78 18.714 -8.803 -8.256 1.00 2.20 C ATOM 1202 O ILE A 78 18.337 -7.960 -7.442 1.00 12.53 O ATOM 1203 CB ILE A 78 20.506 -10.240 -7.279 1.00 52.14 C ATOM 1204 CG1 ILE A 78 21.974 -10.660 -7.365 1.00 65.12 C ATOM 1205 CG2 ILE A 78 19.594 -11.448 -7.431 1.00 72.13 C ATOM 1206 CD1 ILE A 78 22.846 -10.031 -6.301 1.00 20.54 C ATOM 0 H ILE A 78 20.872 -7.454 -7.400 1.00 35.43 H new ATOM 0 HA ILE A 78 20.379 -9.617 -9.341 1.00 1.11 H new ATOM 0 HB ILE A 78 20.331 -9.798 -6.298 1.00 52.14 H new ATOM 0 HG12 ILE A 78 22.039 -11.745 -7.282 1.00 65.12 H new ATOM 0 HG13 ILE A 78 22.363 -10.392 -8.347 1.00 65.12 H new ATOM 0 HG21 ILE A 78 19.832 -12.183 -6.662 1.00 72.13 H new ATOM 0 HG22 ILE A 78 18.555 -11.135 -7.325 1.00 72.13 H new ATOM 0 HG23 ILE A 78 19.740 -11.893 -8.415 1.00 72.13 H new ATOM 0 HD11 ILE A 78 23.873 -10.374 -6.423 1.00 20.54 H new ATOM 0 HD12 ILE A 78 22.812 -8.946 -6.397 1.00 20.54 H new ATOM 0 HD13 ILE A 78 22.482 -10.320 -5.315 1.00 20.54 H new ATOM 1218 N HIS A 79 17.886 -9.427 -9.087 1.00 32.51 N ATOM 1219 CA HIS A 79 16.453 -9.152 -9.089 1.00 44.11 C ATOM 1220 C HIS A 79 15.664 -10.375 -8.631 1.00 3.43 C ATOM 1221 O HIS A 79 16.008 -11.509 -8.965 1.00 32.42 O ATOM 1222 CB HIS A 79 15.996 -8.729 -10.486 1.00 20.45 C ATOM 1223 CG HIS A 79 16.893 -7.717 -11.129 1.00 13.34 C ATOM 1224 ND1 HIS A 79 17.522 -7.928 -12.337 1.00 23.40 N ATOM 1225 CD2 HIS A 79 17.263 -6.479 -10.725 1.00 53.20 C ATOM 1226 CE1 HIS A 79 18.242 -6.865 -12.648 1.00 61.21 C ATOM 1227 NE2 HIS A 79 18.101 -5.971 -11.686 1.00 44.24 N ATOM 0 H HIS A 79 18.182 -10.126 -9.768 1.00 32.51 H new ATOM 0 HA HIS A 79 16.263 -8.337 -8.390 1.00 44.11 H new ATOM 0 HB2 HIS A 79 15.941 -9.611 -11.124 1.00 20.45 H new ATOM 0 HB3 HIS A 79 14.988 -8.320 -10.421 1.00 20.45 H new ATOM 0 HD2 HIS A 79 16.956 -5.983 -9.816 1.00 53.20 H new ATOM 0 HE1 HIS A 79 18.843 -6.747 -13.537 1.00 61.21 H new ATOM 0 HE2 HIS A 79 18.543 -5.052 -11.661 1.00 44.24 H new ATOM 1235 N LEU A 80 14.606 -10.136 -7.864 1.00 23.24 N ATOM 1236 CA LEU A 80 13.768 -11.218 -7.358 1.00 61.14 C ATOM 1237 C LEU A 80 12.300 -10.806 -7.339 1.00 12.43 C ATOM 1238 O LEU A 80 11.980 -9.619 -7.282 1.00 52.21 O ATOM 1239 CB LEU A 80 14.215 -11.622 -5.952 1.00 41.13 C ATOM 1240 CG LEU A 80 13.398 -12.725 -5.279 1.00 71.22 C ATOM 1241 CD1 LEU A 80 14.281 -13.562 -4.366 1.00 73.04 C ATOM 1242 CD2 LEU A 80 12.236 -12.128 -4.499 1.00 51.31 C ATOM 0 H LEU A 80 14.308 -9.203 -7.579 1.00 23.24 H new ATOM 0 HA LEU A 80 13.878 -12.072 -8.026 1.00 61.14 H new ATOM 0 HB2 LEU A 80 15.254 -11.947 -6.002 1.00 41.13 H new ATOM 0 HB3 LEU A 80 14.188 -10.738 -5.316 1.00 41.13 H new ATOM 0 HG LEU A 80 12.993 -13.375 -6.055 1.00 71.22 H new ATOM 0 HD11 LEU A 80 13.682 -14.342 -3.896 1.00 73.04 H new ATOM 0 HD12 LEU A 80 15.079 -14.020 -4.951 1.00 73.04 H new ATOM 0 HD13 LEU A 80 14.716 -12.925 -3.596 1.00 73.04 H new ATOM 0 HD21 LEU A 80 11.666 -12.928 -4.027 1.00 51.31 H new ATOM 0 HD22 LEU A 80 12.620 -11.455 -3.733 1.00 51.31 H new ATOM 0 HD23 LEU A 80 11.589 -11.573 -5.178 1.00 51.31 H new ATOM 1254 N GLU A 81 11.412 -11.794 -7.384 1.00 30.13 N ATOM 1255 CA GLU A 81 9.977 -11.533 -7.370 1.00 5.25 C ATOM 1256 C GLU A 81 9.276 -12.402 -6.329 1.00 45.13 C ATOM 1257 O GLU A 81 9.256 -13.628 -6.440 1.00 2.20 O ATOM 1258 CB GLU A 81 9.376 -11.789 -8.753 1.00 62.00 C ATOM 1259 CG GLU A 81 9.168 -10.525 -9.570 1.00 3.21 C ATOM 1260 CD GLU A 81 10.464 -9.978 -10.138 1.00 15.31 C ATOM 1261 OE1 GLU A 81 11.293 -10.784 -10.608 1.00 41.20 O ATOM 1262 OE2 GLU A 81 10.647 -8.743 -10.112 1.00 52.43 O ATOM 0 H GLU A 81 11.661 -12.782 -7.430 1.00 30.13 H new ATOM 0 HA GLU A 81 9.827 -10.486 -7.105 1.00 5.25 H new ATOM 0 HB2 GLU A 81 10.030 -12.464 -9.305 1.00 62.00 H new ATOM 0 HB3 GLU A 81 8.419 -12.297 -8.635 1.00 62.00 H new ATOM 0 HG2 GLU A 81 8.477 -10.734 -10.387 1.00 3.21 H new ATOM 0 HG3 GLU A 81 8.700 -9.765 -8.944 1.00 3.21 H new ATOM 1269 N VAL A 82 8.703 -11.758 -5.318 1.00 53.50 N ATOM 1270 CA VAL A 82 8.000 -12.470 -4.258 1.00 20.13 C ATOM 1271 C VAL A 82 6.519 -12.620 -4.585 1.00 34.13 C ATOM 1272 O VAL A 82 5.763 -11.649 -4.547 1.00 11.41 O ATOM 1273 CB VAL A 82 8.145 -11.749 -2.905 1.00 4.43 C ATOM 1274 CG1 VAL A 82 7.797 -12.687 -1.759 1.00 53.51 C ATOM 1275 CG2 VAL A 82 9.554 -11.198 -2.744 1.00 3.12 C ATOM 0 H VAL A 82 8.712 -10.744 -5.211 1.00 53.50 H new ATOM 0 HA VAL A 82 8.455 -13.458 -4.185 1.00 20.13 H new ATOM 0 HB VAL A 82 7.447 -10.912 -2.882 1.00 4.43 H new ATOM 0 HG11 VAL A 82 7.905 -12.159 -0.811 1.00 53.51 H new ATOM 0 HG12 VAL A 82 6.768 -13.029 -1.868 1.00 53.51 H new ATOM 0 HG13 VAL A 82 8.468 -13.546 -1.775 1.00 53.51 H new ATOM 0 HG21 VAL A 82 9.639 -10.692 -1.783 1.00 3.12 H new ATOM 0 HG22 VAL A 82 10.272 -12.017 -2.788 1.00 3.12 H new ATOM 0 HG23 VAL A 82 9.762 -10.490 -3.546 1.00 3.12 H new ATOM 1285 N ILE A 83 6.110 -13.843 -4.905 1.00 70.11 N ATOM 1286 CA ILE A 83 4.718 -14.120 -5.237 1.00 60.50 C ATOM 1287 C ILE A 83 3.873 -14.277 -3.977 1.00 41.03 C ATOM 1288 O ILE A 83 4.277 -14.943 -3.024 1.00 64.23 O ATOM 1289 CB ILE A 83 4.586 -15.395 -6.092 1.00 2.04 C ATOM 1290 CG1 ILE A 83 3.112 -15.706 -6.358 1.00 61.24 C ATOM 1291 CG2 ILE A 83 5.264 -16.569 -5.400 1.00 43.54 C ATOM 1292 CD1 ILE A 83 2.512 -16.682 -5.371 1.00 23.53 C ATOM 0 H ILE A 83 6.723 -14.658 -4.941 1.00 70.11 H new ATOM 0 HA ILE A 83 4.355 -13.268 -5.811 1.00 60.50 H new ATOM 0 HB ILE A 83 5.081 -15.227 -7.048 1.00 2.04 H new ATOM 0 HG12 ILE A 83 2.542 -14.777 -6.330 1.00 61.24 H new ATOM 0 HG13 ILE A 83 3.011 -16.112 -7.365 1.00 61.24 H new ATOM 0 HG21 ILE A 83 5.162 -17.462 -6.016 1.00 43.54 H new ATOM 0 HG22 ILE A 83 6.321 -16.346 -5.256 1.00 43.54 H new ATOM 0 HG23 ILE A 83 4.795 -16.741 -4.431 1.00 43.54 H new ATOM 0 HD11 ILE A 83 1.465 -16.855 -5.621 1.00 23.53 H new ATOM 0 HD12 ILE A 83 3.057 -17.625 -5.415 1.00 23.53 H new ATOM 0 HD13 ILE A 83 2.581 -16.270 -4.364 1.00 23.53 H new ATOM 1304 N VAL A 84 2.696 -13.660 -3.980 1.00 51.44 N ATOM 1305 CA VAL A 84 1.791 -13.732 -2.839 1.00 64.41 C ATOM 1306 C VAL A 84 0.336 -13.653 -3.286 1.00 31.55 C ATOM 1307 O VAL A 84 0.023 -13.055 -4.315 1.00 22.00 O ATOM 1308 CB VAL A 84 2.069 -12.603 -1.830 1.00 4.33 C ATOM 1309 CG1 VAL A 84 3.459 -12.753 -1.229 1.00 34.12 C ATOM 1310 CG2 VAL A 84 1.911 -11.244 -2.495 1.00 5.31 C ATOM 0 H VAL A 84 2.346 -13.104 -4.761 1.00 51.44 H new ATOM 0 HA VAL A 84 1.968 -14.693 -2.355 1.00 64.41 H new ATOM 0 HB VAL A 84 1.341 -12.674 -1.022 1.00 4.33 H new ATOM 0 HG11 VAL A 84 3.637 -11.946 -0.518 1.00 34.12 H new ATOM 0 HG12 VAL A 84 3.532 -13.712 -0.715 1.00 34.12 H new ATOM 0 HG13 VAL A 84 4.205 -12.709 -2.022 1.00 34.12 H new ATOM 0 HG21 VAL A 84 2.111 -10.457 -1.767 1.00 5.31 H new ATOM 0 HG22 VAL A 84 2.615 -11.160 -3.323 1.00 5.31 H new ATOM 0 HG23 VAL A 84 0.894 -11.139 -2.872 1.00 5.31 H new ATOM 1320 N ASP A 85 -0.550 -14.261 -2.504 1.00 54.23 N ATOM 1321 CA ASP A 85 -1.975 -14.258 -2.818 1.00 24.12 C ATOM 1322 C ASP A 85 -2.767 -13.523 -1.741 1.00 43.22 C ATOM 1323 O ASP A 85 -3.908 -13.877 -1.446 1.00 11.13 O ATOM 1324 CB ASP A 85 -2.490 -15.691 -2.959 1.00 33.24 C ATOM 1325 CG ASP A 85 -3.401 -15.864 -4.158 1.00 42.44 C ATOM 1326 OD1 ASP A 85 -4.615 -15.602 -4.025 1.00 22.11 O ATOM 1327 OD2 ASP A 85 -2.899 -16.259 -5.231 1.00 73.22 O ATOM 0 H ASP A 85 -0.307 -14.762 -1.649 1.00 54.23 H new ATOM 0 HA ASP A 85 -2.113 -13.736 -3.765 1.00 24.12 H new ATOM 0 HB2 ASP A 85 -1.643 -16.371 -3.049 1.00 33.24 H new ATOM 0 HB3 ASP A 85 -3.029 -15.971 -2.054 1.00 33.24 H new ATOM 1332 N ARG A 86 -2.153 -12.499 -1.158 1.00 3.41 N ATOM 1333 CA ARG A 86 -2.800 -11.715 -0.112 1.00 64.03 C ATOM 1334 C ARG A 86 -1.830 -10.699 0.484 1.00 21.02 C ATOM 1335 O ARG A 86 -1.183 -10.945 1.503 1.00 55.02 O ATOM 1336 CB ARG A 86 -3.332 -12.635 0.988 1.00 13.40 C ATOM 1337 CG ARG A 86 -4.849 -12.729 1.022 1.00 41.13 C ATOM 1338 CD ARG A 86 -5.314 -14.163 1.222 1.00 44.11 C ATOM 1339 NE ARG A 86 -6.521 -14.238 2.040 1.00 0.11 N ATOM 1340 CZ ARG A 86 -7.712 -13.811 1.634 1.00 5.22 C ATOM 1341 NH1 ARG A 86 -7.853 -13.282 0.427 1.00 54.42 N ATOM 1342 NH2 ARG A 86 -8.763 -13.913 2.437 1.00 74.15 N ATOM 0 H ARG A 86 -1.209 -12.193 -1.392 1.00 3.41 H new ATOM 0 HA ARG A 86 -3.634 -11.175 -0.560 1.00 64.03 H new ATOM 0 HB2 ARG A 86 -2.918 -13.633 0.847 1.00 13.40 H new ATOM 0 HB3 ARG A 86 -2.977 -12.276 1.954 1.00 13.40 H new ATOM 0 HG2 ARG A 86 -5.235 -12.104 1.827 1.00 41.13 H new ATOM 0 HG3 ARG A 86 -5.260 -12.339 0.091 1.00 41.13 H new ATOM 0 HD2 ARG A 86 -5.505 -14.621 0.251 1.00 44.11 H new ATOM 0 HD3 ARG A 86 -4.519 -14.739 1.695 1.00 44.11 H new ATOM 0 HE ARG A 86 -6.446 -14.640 2.974 1.00 0.11 H new ATOM 0 HH11 ARG A 86 -7.046 -13.202 -0.192 1.00 54.42 H new ATOM 0 HH12 ARG A 86 -8.768 -12.955 0.117 1.00 54.42 H new ATOM 0 HH21 ARG A 86 -8.657 -14.319 3.367 1.00 74.15 H new ATOM 0 HH22 ARG A 86 -9.677 -13.585 2.125 1.00 74.15 H new ATOM 1356 N PRO A 87 -1.725 -9.530 -0.164 1.00 44.42 N ATOM 1357 CA PRO A 87 -2.489 -9.226 -1.378 1.00 4.11 C ATOM 1358 C PRO A 87 -2.022 -10.045 -2.577 1.00 10.43 C ATOM 1359 O PRO A 87 -0.877 -10.496 -2.625 1.00 60.04 O ATOM 1360 CB PRO A 87 -2.213 -7.738 -1.607 1.00 54.40 C ATOM 1361 CG PRO A 87 -0.901 -7.489 -0.947 1.00 70.13 C ATOM 1362 CD PRO A 87 -0.851 -8.414 0.237 1.00 32.11 C ATOM 0 HA PRO A 87 -3.546 -9.465 -1.265 1.00 4.11 H new ATOM 0 HB2 PRO A 87 -2.172 -7.502 -2.670 1.00 54.40 H new ATOM 0 HB3 PRO A 87 -2.998 -7.119 -1.173 1.00 54.40 H new ATOM 0 HG2 PRO A 87 -0.076 -7.686 -1.632 1.00 70.13 H new ATOM 0 HG3 PRO A 87 -0.813 -6.449 -0.634 1.00 70.13 H new ATOM 0 HD2 PRO A 87 0.165 -8.752 0.440 1.00 32.11 H new ATOM 0 HD3 PRO A 87 -1.212 -7.927 1.143 1.00 32.11 H new ATOM 1370 N LEU A 88 -2.915 -10.232 -3.542 1.00 63.53 N ATOM 1371 CA LEU A 88 -2.594 -10.997 -4.743 1.00 20.14 C ATOM 1372 C LEU A 88 -1.732 -10.177 -5.697 1.00 11.52 C ATOM 1373 O LEU A 88 -2.242 -9.355 -6.458 1.00 15.25 O ATOM 1374 CB LEU A 88 -3.877 -11.438 -5.448 1.00 75.51 C ATOM 1375 CG LEU A 88 -3.752 -12.650 -6.373 1.00 55.41 C ATOM 1376 CD1 LEU A 88 -4.945 -13.578 -6.201 1.00 25.10 C ATOM 1377 CD2 LEU A 88 -3.627 -12.203 -7.822 1.00 61.04 C ATOM 0 H LEU A 88 -3.866 -9.865 -3.517 1.00 63.53 H new ATOM 0 HA LEU A 88 -2.030 -11.880 -4.442 1.00 20.14 H new ATOM 0 HB2 LEU A 88 -4.627 -11.661 -4.689 1.00 75.51 H new ATOM 0 HB3 LEU A 88 -4.254 -10.598 -6.031 1.00 75.51 H new ATOM 0 HG LEU A 88 -2.849 -13.198 -6.103 1.00 55.41 H new ATOM 0 HD11 LEU A 88 -4.839 -14.434 -6.867 1.00 25.10 H new ATOM 0 HD12 LEU A 88 -4.991 -13.925 -5.169 1.00 25.10 H new ATOM 0 HD13 LEU A 88 -5.862 -13.041 -6.444 1.00 25.10 H new ATOM 0 HD21 LEU A 88 -3.539 -13.078 -8.466 1.00 61.04 H new ATOM 0 HD22 LEU A 88 -4.512 -11.632 -8.104 1.00 61.04 H new ATOM 0 HD23 LEU A 88 -2.741 -11.579 -7.935 1.00 61.04 H new ATOM 1389 N GLN A 89 -0.424 -10.407 -5.651 1.00 61.33 N ATOM 1390 CA GLN A 89 0.508 -9.690 -6.513 1.00 61.13 C ATOM 1391 C GLN A 89 1.949 -10.082 -6.202 1.00 51.30 C ATOM 1392 O GLN A 89 2.199 -11.008 -5.431 1.00 75.51 O ATOM 1393 CB GLN A 89 0.330 -8.180 -6.347 1.00 44.13 C ATOM 1394 CG GLN A 89 -0.169 -7.484 -7.603 1.00 73.53 C ATOM 1395 CD GLN A 89 0.698 -7.770 -8.813 1.00 65.11 C ATOM 1396 OE1 GLN A 89 1.885 -7.442 -8.832 1.00 1.33 O ATOM 1397 NE2 GLN A 89 0.110 -8.385 -9.832 1.00 70.22 N ATOM 0 H GLN A 89 0.014 -11.084 -5.026 1.00 61.33 H new ATOM 0 HA GLN A 89 0.292 -9.963 -7.546 1.00 61.13 H new ATOM 0 HB2 GLN A 89 -0.372 -7.993 -5.535 1.00 44.13 H new ATOM 0 HB3 GLN A 89 1.283 -7.741 -6.052 1.00 44.13 H new ATOM 0 HG2 GLN A 89 -1.191 -7.804 -7.809 1.00 73.53 H new ATOM 0 HG3 GLN A 89 -0.200 -6.408 -7.429 1.00 73.53 H new ATOM 0 HE21 GLN A 89 -0.876 -8.639 -9.774 1.00 70.22 H new ATOM 0 HE22 GLN A 89 0.644 -8.604 -10.673 1.00 70.22 H new ATOM 1406 N VAL A 90 2.894 -9.370 -6.807 1.00 44.31 N ATOM 1407 CA VAL A 90 4.311 -9.642 -6.594 1.00 32.21 C ATOM 1408 C VAL A 90 5.008 -8.451 -5.946 1.00 61.30 C ATOM 1409 O VAL A 90 4.569 -7.310 -6.086 1.00 13.44 O ATOM 1410 CB VAL A 90 5.022 -9.982 -7.917 1.00 23.20 C ATOM 1411 CG1 VAL A 90 6.416 -10.529 -7.649 1.00 21.03 C ATOM 1412 CG2 VAL A 90 4.198 -10.973 -8.725 1.00 63.11 C ATOM 0 H VAL A 90 2.704 -8.600 -7.449 1.00 44.31 H new ATOM 0 HA VAL A 90 4.372 -10.502 -5.926 1.00 32.21 H new ATOM 0 HB VAL A 90 5.123 -9.067 -8.501 1.00 23.20 H new ATOM 0 HG11 VAL A 90 6.903 -10.764 -8.596 1.00 21.03 H new ATOM 0 HG12 VAL A 90 7.003 -9.783 -7.114 1.00 21.03 H new ATOM 0 HG13 VAL A 90 6.342 -11.433 -7.045 1.00 21.03 H new ATOM 0 HG21 VAL A 90 4.715 -11.202 -9.657 1.00 63.11 H new ATOM 0 HG22 VAL A 90 4.064 -11.889 -8.150 1.00 63.11 H new ATOM 0 HG23 VAL A 90 3.223 -10.539 -8.948 1.00 63.11 H new ATOM 1422 N PHE A 91 6.098 -8.725 -5.237 1.00 42.20 N ATOM 1423 CA PHE A 91 6.857 -7.676 -4.566 1.00 43.35 C ATOM 1424 C PHE A 91 8.242 -7.524 -5.188 1.00 64.45 C ATOM 1425 O PHE A 91 8.976 -8.501 -5.343 1.00 71.45 O ATOM 1426 CB PHE A 91 6.987 -7.986 -3.074 1.00 3.43 C ATOM 1427 CG PHE A 91 5.669 -8.050 -2.358 1.00 15.22 C ATOM 1428 CD1 PHE A 91 4.821 -6.954 -2.340 1.00 73.10 C ATOM 1429 CD2 PHE A 91 5.277 -9.206 -1.702 1.00 11.10 C ATOM 1430 CE1 PHE A 91 3.606 -7.010 -1.682 1.00 42.04 C ATOM 1431 CE2 PHE A 91 4.064 -9.268 -1.043 1.00 54.21 C ATOM 1432 CZ PHE A 91 3.228 -8.168 -1.032 1.00 72.13 C ATOM 0 H PHE A 91 6.475 -9.664 -5.112 1.00 42.20 H new ATOM 0 HA PHE A 91 6.318 -6.737 -4.689 1.00 43.35 H new ATOM 0 HB2 PHE A 91 7.504 -8.938 -2.953 1.00 3.43 H new ATOM 0 HB3 PHE A 91 7.609 -7.223 -2.606 1.00 3.43 H new ATOM 0 HD1 PHE A 91 5.113 -6.045 -2.846 1.00 73.10 H new ATOM 0 HD2 PHE A 91 5.927 -10.068 -1.706 1.00 11.10 H new ATOM 0 HE1 PHE A 91 2.954 -6.149 -1.677 1.00 42.04 H new ATOM 0 HE2 PHE A 91 3.770 -10.176 -0.537 1.00 54.21 H new ATOM 0 HZ PHE A 91 2.280 -8.214 -0.516 1.00 72.13 H new ATOM 1442 N HIS A 92 8.594 -6.293 -5.544 1.00 14.52 N ATOM 1443 CA HIS A 92 9.891 -6.012 -6.149 1.00 74.03 C ATOM 1444 C HIS A 92 11.008 -6.128 -5.118 1.00 25.45 C ATOM 1445 O HIS A 92 11.030 -5.400 -4.125 1.00 51.35 O ATOM 1446 CB HIS A 92 9.896 -4.614 -6.769 1.00 62.30 C ATOM 1447 CG HIS A 92 10.255 -4.605 -8.223 1.00 71.21 C ATOM 1448 ND1 HIS A 92 10.995 -3.600 -8.810 1.00 33.15 N ATOM 1449 CD2 HIS A 92 9.973 -5.487 -9.210 1.00 75.32 C ATOM 1450 CE1 HIS A 92 11.150 -3.863 -10.095 1.00 24.53 C ATOM 1451 NE2 HIS A 92 10.540 -5.004 -10.363 1.00 51.43 N ATOM 0 H HIS A 92 7.999 -5.473 -5.424 1.00 14.52 H new ATOM 0 HA HIS A 92 10.066 -6.749 -6.932 1.00 74.03 H new ATOM 0 HB2 HIS A 92 8.910 -4.166 -6.644 1.00 62.30 H new ATOM 0 HB3 HIS A 92 10.602 -3.987 -6.225 1.00 62.30 H new ATOM 0 HD2 HIS A 92 9.407 -6.401 -9.109 1.00 75.32 H new ATOM 0 HE1 HIS A 92 11.684 -3.250 -10.806 1.00 24.53 H new ATOM 0 HE2 HIS A 92 10.497 -5.453 -11.278 1.00 51.43 H new ATOM 1459 N VAL A 93 11.936 -7.050 -5.358 1.00 33.11 N ATOM 1460 CA VAL A 93 13.057 -7.262 -4.450 1.00 13.20 C ATOM 1461 C VAL A 93 14.383 -7.247 -5.202 1.00 10.44 C ATOM 1462 O VAL A 93 14.570 -7.990 -6.164 1.00 50.44 O ATOM 1463 CB VAL A 93 12.923 -8.597 -3.694 1.00 74.24 C ATOM 1464 CG1 VAL A 93 14.190 -8.896 -2.908 1.00 40.41 C ATOM 1465 CG2 VAL A 93 11.710 -8.570 -2.776 1.00 72.04 C ATOM 0 H VAL A 93 11.933 -7.662 -6.174 1.00 33.11 H new ATOM 0 HA VAL A 93 13.041 -6.443 -3.731 1.00 13.20 H new ATOM 0 HB VAL A 93 12.781 -9.394 -4.423 1.00 74.24 H new ATOM 0 HG11 VAL A 93 14.076 -9.843 -2.381 1.00 40.41 H new ATOM 0 HG12 VAL A 93 15.036 -8.961 -3.592 1.00 40.41 H new ATOM 0 HG13 VAL A 93 14.368 -8.098 -2.187 1.00 40.41 H new ATOM 0 HG21 VAL A 93 11.631 -9.521 -2.250 1.00 72.04 H new ATOM 0 HG22 VAL A 93 11.820 -7.763 -2.052 1.00 72.04 H new ATOM 0 HG23 VAL A 93 10.809 -8.407 -3.368 1.00 72.04 H new ATOM 1475 N GLU A 94 15.301 -6.395 -4.754 1.00 71.52 N ATOM 1476 CA GLU A 94 16.611 -6.284 -5.386 1.00 14.15 C ATOM 1477 C GLU A 94 17.724 -6.339 -4.343 1.00 54.01 C ATOM 1478 O GLU A 94 17.853 -5.443 -3.509 1.00 0.02 O ATOM 1479 CB GLU A 94 16.708 -4.982 -6.183 1.00 13.40 C ATOM 1480 CG GLU A 94 15.763 -4.924 -7.372 1.00 24.20 C ATOM 1481 CD GLU A 94 14.579 -4.008 -7.133 1.00 4.51 C ATOM 1482 OE1 GLU A 94 14.771 -2.774 -7.147 1.00 50.24 O ATOM 1483 OE2 GLU A 94 13.461 -4.525 -6.931 1.00 54.14 O ATOM 0 H GLU A 94 15.162 -5.773 -3.958 1.00 71.52 H new ATOM 0 HA GLU A 94 16.731 -7.128 -6.066 1.00 14.15 H new ATOM 0 HB2 GLU A 94 16.496 -4.143 -5.520 1.00 13.40 H new ATOM 0 HB3 GLU A 94 17.732 -4.858 -6.537 1.00 13.40 H new ATOM 0 HG2 GLU A 94 16.311 -4.582 -8.250 1.00 24.20 H new ATOM 0 HG3 GLU A 94 15.402 -5.928 -7.593 1.00 24.20 H new ATOM 1490 N VAL A 95 18.525 -7.398 -4.397 1.00 21.10 N ATOM 1491 CA VAL A 95 19.628 -7.571 -3.459 1.00 34.13 C ATOM 1492 C VAL A 95 20.971 -7.331 -4.139 1.00 13.12 C ATOM 1493 O VAL A 95 21.252 -7.896 -5.195 1.00 41.10 O ATOM 1494 CB VAL A 95 19.623 -8.982 -2.841 1.00 15.12 C ATOM 1495 CG1 VAL A 95 18.369 -9.195 -2.006 1.00 72.03 C ATOM 1496 CG2 VAL A 95 19.735 -10.040 -3.928 1.00 45.21 C ATOM 0 H VAL A 95 18.431 -8.149 -5.080 1.00 21.10 H new ATOM 0 HA VAL A 95 19.488 -6.835 -2.667 1.00 34.13 H new ATOM 0 HB VAL A 95 20.488 -9.075 -2.185 1.00 15.12 H new ATOM 0 HG11 VAL A 95 18.383 -10.197 -1.578 1.00 72.03 H new ATOM 0 HG12 VAL A 95 18.336 -8.458 -1.204 1.00 72.03 H new ATOM 0 HG13 VAL A 95 17.488 -9.083 -2.638 1.00 72.03 H new ATOM 0 HG21 VAL A 95 19.730 -11.031 -3.473 1.00 45.21 H new ATOM 0 HG22 VAL A 95 18.891 -9.950 -4.612 1.00 45.21 H new ATOM 0 HG23 VAL A 95 20.665 -9.898 -4.479 1.00 45.21 H new ATOM 1506 N GLU A 96 21.796 -6.489 -3.525 1.00 45.00 N ATOM 1507 CA GLU A 96 23.111 -6.174 -4.072 1.00 52.14 C ATOM 1508 C GLU A 96 24.210 -6.892 -3.295 1.00 3.21 C ATOM 1509 O GLU A 96 24.040 -7.227 -2.123 1.00 12.14 O ATOM 1510 CB GLU A 96 23.352 -4.663 -4.041 1.00 61.32 C ATOM 1511 CG GLU A 96 23.146 -3.986 -5.386 1.00 34.05 C ATOM 1512 CD GLU A 96 21.728 -3.482 -5.573 1.00 72.23 C ATOM 1513 OE1 GLU A 96 20.784 -4.220 -5.221 1.00 52.14 O ATOM 1514 OE2 GLU A 96 21.563 -2.349 -6.072 1.00 73.12 O ATOM 0 H GLU A 96 21.578 -6.013 -2.650 1.00 45.00 H new ATOM 0 HA GLU A 96 23.138 -6.518 -5.106 1.00 52.14 H new ATOM 0 HB2 GLU A 96 22.681 -4.212 -3.310 1.00 61.32 H new ATOM 0 HB3 GLU A 96 24.370 -4.473 -3.700 1.00 61.32 H new ATOM 0 HG2 GLU A 96 23.840 -3.151 -5.478 1.00 34.05 H new ATOM 0 HG3 GLU A 96 23.386 -4.689 -6.183 1.00 34.05 H new ATOM 1521 N VAL A 97 25.339 -7.125 -3.957 1.00 21.41 N ATOM 1522 CA VAL A 97 26.467 -7.803 -3.329 1.00 44.31 C ATOM 1523 C VAL A 97 27.423 -6.802 -2.689 1.00 54.52 C ATOM 1524 O VAL A 97 27.720 -5.755 -3.266 1.00 74.43 O ATOM 1525 CB VAL A 97 27.245 -8.659 -4.346 1.00 74.14 C ATOM 1526 CG1 VAL A 97 26.474 -9.929 -4.675 1.00 50.41 C ATOM 1527 CG2 VAL A 97 27.532 -7.858 -5.607 1.00 74.14 C ATOM 0 H VAL A 97 25.497 -6.854 -4.928 1.00 21.41 H new ATOM 0 HA VAL A 97 26.055 -8.453 -2.557 1.00 44.31 H new ATOM 0 HB VAL A 97 28.198 -8.946 -3.901 1.00 74.14 H new ATOM 0 HG11 VAL A 97 27.039 -10.521 -5.395 1.00 50.41 H new ATOM 0 HG12 VAL A 97 26.324 -10.510 -3.765 1.00 50.41 H new ATOM 0 HG13 VAL A 97 25.506 -9.667 -5.101 1.00 50.41 H new ATOM 0 HG21 VAL A 97 28.082 -8.478 -6.315 1.00 74.14 H new ATOM 0 HG22 VAL A 97 26.592 -7.540 -6.058 1.00 74.14 H new ATOM 0 HG23 VAL A 97 28.128 -6.981 -5.353 1.00 74.14 H new ATOM 1537 N ARG A 98 27.901 -7.130 -1.494 1.00 0.45 N ATOM 1538 CA ARG A 98 28.823 -6.259 -0.774 1.00 53.52 C ATOM 1539 C ARG A 98 30.182 -6.930 -0.601 1.00 40.21 C ATOM 1540 O ARG A 98 30.330 -7.858 0.194 1.00 63.34 O ATOM 1541 CB ARG A 98 28.246 -5.889 0.594 1.00 63.50 C ATOM 1542 CG ARG A 98 28.569 -4.469 1.028 1.00 53.24 C ATOM 1543 CD ARG A 98 29.643 -4.445 2.104 1.00 54.01 C ATOM 1544 NE ARG A 98 29.726 -3.146 2.766 1.00 54.23 N ATOM 1545 CZ ARG A 98 30.400 -2.936 3.890 1.00 3.35 C ATOM 1546 NH1 ARG A 98 31.048 -3.934 4.475 1.00 13.04 N ATOM 1547 NH2 ARG A 98 30.429 -1.725 4.432 1.00 11.32 N ATOM 0 H ARG A 98 27.665 -7.993 -1.003 1.00 0.45 H new ATOM 0 HA ARG A 98 28.958 -5.351 -1.361 1.00 53.52 H new ATOM 0 HB2 ARG A 98 27.164 -6.015 0.568 1.00 63.50 H new ATOM 0 HB3 ARG A 98 28.630 -6.584 1.341 1.00 63.50 H new ATOM 0 HG2 ARG A 98 28.903 -3.891 0.166 1.00 53.24 H new ATOM 0 HG3 ARG A 98 27.666 -3.988 1.403 1.00 53.24 H new ATOM 0 HD2 ARG A 98 29.431 -5.216 2.845 1.00 54.01 H new ATOM 0 HD3 ARG A 98 30.608 -4.687 1.658 1.00 54.01 H new ATOM 0 HE ARG A 98 29.239 -2.357 2.341 1.00 54.23 H new ATOM 0 HH11 ARG A 98 31.029 -4.866 4.061 1.00 13.04 H new ATOM 0 HH12 ARG A 98 31.565 -3.770 5.339 1.00 13.04 H new ATOM 0 HH21 ARG A 98 29.933 -0.954 3.985 1.00 11.32 H new ATOM 0 HH22 ARG A 98 30.947 -1.565 5.296 1.00 11.32 H new ATOM 1561 N ASP A 99 31.170 -6.454 -1.350 1.00 64.14 N ATOM 1562 CA ASP A 99 32.518 -7.007 -1.280 1.00 32.42 C ATOM 1563 C ASP A 99 33.454 -6.283 -2.243 1.00 33.53 C ATOM 1564 O ASP A 99 33.079 -5.281 -2.852 1.00 10.03 O ATOM 1565 CB ASP A 99 32.495 -8.503 -1.599 1.00 23.13 C ATOM 1566 CG ASP A 99 32.984 -9.350 -0.440 1.00 13.43 C ATOM 1567 OD1 ASP A 99 32.776 -8.942 0.722 1.00 11.34 O ATOM 1568 OD2 ASP A 99 33.573 -10.421 -0.695 1.00 11.53 O ATOM 0 H ASP A 99 31.063 -5.686 -2.013 1.00 64.14 H new ATOM 0 HA ASP A 99 32.890 -6.865 -0.265 1.00 32.42 H new ATOM 0 HB2 ASP A 99 31.479 -8.800 -1.859 1.00 23.13 H new ATOM 0 HB3 ASP A 99 33.117 -8.695 -2.473 1.00 23.13 H new ATOM 1573 N ILE A 100 34.672 -6.797 -2.374 1.00 60.21 N ATOM 1574 CA ILE A 100 35.661 -6.199 -3.263 1.00 31.44 C ATOM 1575 C ILE A 100 35.930 -7.095 -4.467 1.00 63.00 C ATOM 1576 O ILE A 100 35.716 -8.305 -4.414 1.00 32.23 O ATOM 1577 CB ILE A 100 36.988 -5.932 -2.529 1.00 3.11 C ATOM 1578 CG1 ILE A 100 37.885 -5.019 -3.368 1.00 31.12 C ATOM 1579 CG2 ILE A 100 37.697 -7.243 -2.221 1.00 40.54 C ATOM 1580 CD1 ILE A 100 38.680 -4.031 -2.544 1.00 43.52 C ATOM 0 H ILE A 100 34.998 -7.626 -1.876 1.00 60.21 H new ATOM 0 HA ILE A 100 35.247 -5.250 -3.604 1.00 31.44 H new ATOM 0 HB ILE A 100 36.770 -5.430 -1.586 1.00 3.11 H new ATOM 0 HG12 ILE A 100 38.574 -5.633 -3.948 1.00 31.12 H new ATOM 0 HG13 ILE A 100 37.268 -4.472 -4.081 1.00 31.12 H new ATOM 0 HG21 ILE A 100 38.633 -7.037 -1.702 1.00 40.54 H new ATOM 0 HG22 ILE A 100 37.060 -7.861 -1.589 1.00 40.54 H new ATOM 0 HG23 ILE A 100 37.906 -7.771 -3.151 1.00 40.54 H new ATOM 0 HD11 ILE A 100 39.293 -3.417 -3.204 1.00 43.52 H new ATOM 0 HD12 ILE A 100 37.997 -3.392 -1.984 1.00 43.52 H new ATOM 0 HD13 ILE A 100 39.323 -4.571 -1.849 1.00 43.52 H new