USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 824 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 52 HIS : no HE2:sc= -0.0545 K(o=-3.3,f=-4.7) USER MOD Set 1.2: A 95 CYS SG : rot -111:sc= -3.2! USER MOD Set 2.1: A 31 TYR OH : rot 120:sc= 1.42 USER MOD Set 2.2: A 38 SER OG : rot 85:sc= 0.822 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0341 (180deg=-0.0341) USER MOD Single : A 1 MET N :NH3+ 158:sc= 0.449 (180deg=0.144!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 12 HIS :FLIP no HD1:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 179:sc= 0 (180deg=-0.00446) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -114:sc= -0.0673 (180deg=-2.56!) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.108 F(o=-2.6!,f=-0.11) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -170:sc= 0.515 (180deg=0.0328) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= 0.978 (180deg=0.585) USER MOD Single : A 65 ASN : amide:sc= -3.88 K(o=-3.9,f=-7.2!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -40:sc= 1.13 USER MOD Single : A 76 GLN : amide:sc= 0.548 K(o=0.55,f=-0.5) USER MOD Single : A 77 CYS SG : rot 14:sc= 0.843 USER MOD Single : A 83 THR OG1 : rot -68:sc= -0.0911 USER MOD Single : A 86 SER OG : rot 170:sc= 1.1 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -176:sc= 0.999 (180deg=0.965) USER MOD Single : A 94 LYS NZ :NH3+ -158:sc= -0.179 (180deg=-0.711) USER MOD Single : A 99 HIS : no HD1:sc= -1.08 X(o=-1.1,f=-0.71) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.0186 X(o=-0.019,f=-0.012) USER MOD Single : A 102 HIS : no HE2:sc= 0.439 K(o=0.44,f=-2.2!) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 HIS : no HE2:sc= -0.0825 K(o=-0.083,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.135 -10.956 5.962 1.00 52.45 N ATOM 2 CA MET A 1 -5.404 -9.977 6.815 1.00 31.01 C ATOM 3 C MET A 1 -4.233 -9.330 6.060 1.00 13.33 C ATOM 4 O MET A 1 -3.956 -9.674 4.911 1.00 4.32 O ATOM 5 CB MET A 1 -4.911 -10.657 8.100 1.00 61.30 C ATOM 6 CG MET A 1 -6.040 -11.024 9.052 1.00 5.42 C ATOM 7 SD MET A 1 -7.298 -12.050 8.267 1.00 40.44 S ATOM 8 CE MET A 1 -8.573 -12.040 9.526 1.00 24.33 C ATOM 0 H1 MET A 1 -6.651 -11.626 6.567 1.00 52.45 H new ATOM 0 H2 MET A 1 -6.809 -10.450 5.353 1.00 52.45 H new ATOM 0 H3 MET A 1 -5.456 -11.476 5.370 1.00 52.45 H new ATOM 0 HA MET A 1 -6.099 -9.181 7.081 1.00 31.01 H new ATOM 0 HB2 MET A 1 -4.358 -11.559 7.838 1.00 61.30 H new ATOM 0 HB3 MET A 1 -4.214 -9.993 8.611 1.00 61.30 H new ATOM 0 HG2 MET A 1 -5.629 -11.553 9.912 1.00 5.42 H new ATOM 0 HG3 MET A 1 -6.503 -10.113 9.430 1.00 5.42 H new ATOM 0 HE1 MET A 1 -9.422 -12.634 9.189 1.00 24.33 H new ATOM 0 HE2 MET A 1 -8.177 -12.464 10.448 1.00 24.33 H new ATOM 0 HE3 MET A 1 -8.897 -11.015 9.708 1.00 24.33 H new ATOM 20 N ALA A 2 -3.550 -8.390 6.714 1.00 14.44 N ATOM 21 CA ALA A 2 -2.486 -7.614 6.071 1.00 11.03 C ATOM 22 C ALA A 2 -1.163 -8.388 5.983 1.00 73.12 C ATOM 23 O ALA A 2 -0.540 -8.700 6.998 1.00 63.31 O ATOM 24 CB ALA A 2 -2.277 -6.299 6.816 1.00 75.43 C ATOM 0 H ALA A 2 -3.714 -8.146 7.691 1.00 14.44 H new ATOM 0 HA ALA A 2 -2.806 -7.412 5.049 1.00 11.03 H new ATOM 0 HB1 ALA A 2 -1.485 -5.728 6.332 1.00 75.43 H new ATOM 0 HB2 ALA A 2 -3.201 -5.721 6.801 1.00 75.43 H new ATOM 0 HB3 ALA A 2 -1.996 -6.506 7.848 1.00 75.43 H new ATOM 30 N LYS A 3 -0.737 -8.685 4.758 1.00 62.02 N ATOM 31 CA LYS A 3 0.556 -9.336 4.510 1.00 74.21 C ATOM 32 C LYS A 3 1.649 -8.287 4.234 1.00 44.12 C ATOM 33 O LYS A 3 2.539 -8.494 3.407 1.00 4.13 O ATOM 34 CB LYS A 3 0.424 -10.302 3.323 1.00 52.31 C ATOM 35 CG LYS A 3 -0.530 -11.468 3.586 1.00 22.42 C ATOM 36 CD LYS A 3 -0.833 -12.261 2.316 1.00 33.43 C ATOM 37 CE LYS A 3 0.427 -12.826 1.671 1.00 73.12 C ATOM 38 NZ LYS A 3 0.123 -13.535 0.399 1.00 71.04 N ATOM 0 H LYS A 3 -1.270 -8.485 3.912 1.00 62.02 H new ATOM 0 HA LYS A 3 0.847 -9.898 5.398 1.00 74.21 H new ATOM 0 HB2 LYS A 3 0.076 -9.748 2.451 1.00 52.31 H new ATOM 0 HB3 LYS A 3 1.409 -10.698 3.076 1.00 52.31 H new ATOM 0 HG2 LYS A 3 -0.093 -12.132 4.332 1.00 22.42 H new ATOM 0 HG3 LYS A 3 -1.461 -11.086 4.005 1.00 22.42 H new ATOM 0 HD2 LYS A 3 -1.514 -13.078 2.555 1.00 33.43 H new ATOM 0 HD3 LYS A 3 -1.346 -11.617 1.602 1.00 33.43 H new ATOM 0 HE2 LYS A 3 1.131 -12.017 1.477 1.00 73.12 H new ATOM 0 HE3 LYS A 3 0.914 -13.513 2.363 1.00 73.12 H new ATOM 0 HZ1 LYS A 3 1.004 -13.906 -0.011 1.00 71.04 H new ATOM 0 HZ2 LYS A 3 -0.529 -14.323 0.588 1.00 71.04 H new ATOM 0 HZ3 LYS A 3 -0.319 -12.873 -0.271 1.00 71.04 H new ATOM 52 N ALA A 4 1.573 -7.165 4.947 1.00 43.35 N ATOM 53 CA ALA A 4 2.544 -6.073 4.809 1.00 10.31 C ATOM 54 C ALA A 4 2.819 -5.408 6.167 1.00 2.02 C ATOM 55 O ALA A 4 2.090 -5.642 7.133 1.00 15.41 O ATOM 56 CB ALA A 4 2.037 -5.042 3.806 1.00 2.52 C ATOM 0 H ALA A 4 0.842 -6.984 5.634 1.00 43.35 H new ATOM 0 HA ALA A 4 3.481 -6.492 4.441 1.00 10.31 H new ATOM 0 HB1 ALA A 4 2.766 -4.237 3.712 1.00 2.52 H new ATOM 0 HB2 ALA A 4 1.895 -5.518 2.836 1.00 2.52 H new ATOM 0 HB3 ALA A 4 1.088 -4.634 4.152 1.00 2.52 H new ATOM 62 N GLN A 5 3.870 -4.580 6.225 1.00 4.52 N ATOM 63 CA GLN A 5 4.276 -3.882 7.463 1.00 1.52 C ATOM 64 C GLN A 5 4.783 -4.857 8.551 1.00 63.21 C ATOM 65 O GLN A 5 4.462 -6.050 8.535 1.00 41.24 O ATOM 66 CB GLN A 5 3.115 -3.029 8.016 1.00 22.44 C ATOM 67 CG GLN A 5 2.716 -1.856 7.121 1.00 20.33 C ATOM 68 CD GLN A 5 1.553 -1.053 7.688 1.00 73.11 C ATOM 69 OE1 GLN A 5 0.685 -1.583 8.374 1.00 44.11 O ATOM 70 NE2 GLN A 5 1.530 0.235 7.413 1.00 53.42 N ATOM 0 H GLN A 5 4.464 -4.372 5.422 1.00 4.52 H new ATOM 0 HA GLN A 5 5.107 -3.229 7.196 1.00 1.52 H new ATOM 0 HB2 GLN A 5 2.246 -3.671 8.163 1.00 22.44 H new ATOM 0 HB3 GLN A 5 3.397 -2.644 8.996 1.00 22.44 H new ATOM 0 HG2 GLN A 5 3.575 -1.198 6.987 1.00 20.33 H new ATOM 0 HG3 GLN A 5 2.445 -2.233 6.135 1.00 20.33 H new ATOM 0 HE21 GLN A 5 2.266 0.647 6.840 1.00 53.42 H new ATOM 0 HE22 GLN A 5 0.776 0.820 7.773 1.00 53.42 H new ATOM 79 N PRO A 6 5.615 -4.370 9.500 1.00 51.21 N ATOM 80 CA PRO A 6 6.060 -5.179 10.652 1.00 54.34 C ATOM 81 C PRO A 6 4.882 -5.672 11.515 1.00 61.42 C ATOM 82 O PRO A 6 3.874 -4.980 11.662 1.00 61.30 O ATOM 83 CB PRO A 6 6.950 -4.211 11.451 1.00 64.42 C ATOM 84 CG PRO A 6 7.373 -3.178 10.460 1.00 42.14 C ATOM 85 CD PRO A 6 6.210 -3.019 9.519 1.00 13.32 C ATOM 0 HA PRO A 6 6.576 -6.086 10.336 1.00 54.34 H new ATOM 0 HB2 PRO A 6 6.403 -3.763 12.280 1.00 64.42 H new ATOM 0 HB3 PRO A 6 7.811 -4.726 11.878 1.00 64.42 H new ATOM 0 HG2 PRO A 6 7.610 -2.235 10.953 1.00 42.14 H new ATOM 0 HG3 PRO A 6 8.270 -3.492 9.925 1.00 42.14 H new ATOM 0 HD2 PRO A 6 5.502 -2.271 9.875 1.00 13.32 H new ATOM 0 HD3 PRO A 6 6.533 -2.706 8.526 1.00 13.32 H new ATOM 93 N ILE A 7 5.017 -6.861 12.097 1.00 15.22 N ATOM 94 CA ILE A 7 3.936 -7.459 12.885 1.00 4.43 C ATOM 95 C ILE A 7 3.840 -6.806 14.276 1.00 15.04 C ATOM 96 O ILE A 7 4.573 -7.167 15.195 1.00 62.31 O ATOM 97 CB ILE A 7 4.118 -8.999 13.045 1.00 33.03 C ATOM 98 CG1 ILE A 7 4.052 -9.720 11.680 1.00 61.21 C ATOM 99 CG2 ILE A 7 3.065 -9.577 13.995 1.00 50.54 C ATOM 100 CD1 ILE A 7 5.247 -9.479 10.777 1.00 11.42 C ATOM 0 H ILE A 7 5.861 -7.430 12.040 1.00 15.22 H new ATOM 0 HA ILE A 7 3.011 -7.277 12.338 1.00 4.43 H new ATOM 0 HB ILE A 7 5.107 -9.167 13.472 1.00 33.03 H new ATOM 0 HG12 ILE A 7 3.956 -10.792 11.855 1.00 61.21 H new ATOM 0 HG13 ILE A 7 3.150 -9.400 11.159 1.00 61.21 H new ATOM 0 HG21 ILE A 7 3.213 -10.653 14.091 1.00 50.54 H new ATOM 0 HG22 ILE A 7 3.163 -9.109 14.975 1.00 50.54 H new ATOM 0 HG23 ILE A 7 2.069 -9.381 13.597 1.00 50.54 H new ATOM 0 HD11 ILE A 7 5.113 -10.024 9.843 1.00 11.42 H new ATOM 0 HD12 ILE A 7 5.334 -8.413 10.566 1.00 11.42 H new ATOM 0 HD13 ILE A 7 6.154 -9.826 11.273 1.00 11.42 H new ATOM 112 N GLU A 8 2.956 -5.821 14.417 1.00 43.03 N ATOM 113 CA GLU A 8 2.744 -5.154 15.709 1.00 2.02 C ATOM 114 C GLU A 8 1.449 -5.642 16.380 1.00 15.43 C ATOM 115 O GLU A 8 0.353 -5.488 15.837 1.00 75.35 O ATOM 116 CB GLU A 8 2.703 -3.628 15.531 1.00 1.41 C ATOM 117 CG GLU A 8 2.648 -2.861 16.851 1.00 2.41 C ATOM 118 CD GLU A 8 2.567 -1.355 16.658 1.00 13.32 C ATOM 119 OE1 GLU A 8 3.624 -0.704 16.534 1.00 61.24 O ATOM 120 OE2 GLU A 8 1.441 -0.813 16.633 1.00 22.40 O ATOM 0 H GLU A 8 2.375 -5.465 13.658 1.00 43.03 H new ATOM 0 HA GLU A 8 3.583 -5.411 16.356 1.00 2.02 H new ATOM 0 HB2 GLU A 8 3.584 -3.312 14.973 1.00 1.41 H new ATOM 0 HB3 GLU A 8 1.833 -3.364 14.930 1.00 1.41 H new ATOM 0 HG2 GLU A 8 1.783 -3.196 17.424 1.00 2.41 H new ATOM 0 HG3 GLU A 8 3.533 -3.099 17.441 1.00 2.41 H new ATOM 127 N ILE A 9 1.586 -6.237 17.563 1.00 34.34 N ATOM 128 CA ILE A 9 0.440 -6.778 18.306 1.00 13.50 C ATOM 129 C ILE A 9 0.385 -6.212 19.737 1.00 40.40 C ATOM 130 O ILE A 9 1.362 -6.300 20.483 1.00 40.13 O ATOM 131 CB ILE A 9 0.502 -8.329 18.372 1.00 61.04 C ATOM 132 CG1 ILE A 9 0.504 -8.933 16.955 1.00 14.14 C ATOM 133 CG2 ILE A 9 -0.659 -8.886 19.196 1.00 1.14 C ATOM 134 CD1 ILE A 9 0.608 -10.445 16.931 1.00 60.33 C ATOM 0 H ILE A 9 2.483 -6.359 18.033 1.00 34.34 H new ATOM 0 HA ILE A 9 -0.461 -6.477 17.771 1.00 13.50 H new ATOM 0 HB ILE A 9 1.432 -8.611 18.865 1.00 61.04 H new ATOM 0 HG12 ILE A 9 -0.410 -8.633 16.442 1.00 14.14 H new ATOM 0 HG13 ILE A 9 1.338 -8.512 16.393 1.00 14.14 H new ATOM 0 HG21 ILE A 9 -0.594 -9.974 19.228 1.00 1.14 H new ATOM 0 HG22 ILE A 9 -0.608 -8.490 20.210 1.00 1.14 H new ATOM 0 HG23 ILE A 9 -1.604 -8.592 18.738 1.00 1.14 H new ATOM 0 HD11 ILE A 9 0.603 -10.794 15.898 1.00 60.33 H new ATOM 0 HD12 ILE A 9 1.535 -10.754 17.414 1.00 60.33 H new ATOM 0 HD13 ILE A 9 -0.239 -10.876 17.464 1.00 60.33 H new ATOM 146 N ALA A 10 -0.758 -5.621 20.105 1.00 14.04 N ATOM 147 CA ALA A 10 -0.963 -5.076 21.457 1.00 31.51 C ATOM 148 C ALA A 10 0.071 -3.991 21.806 1.00 65.54 C ATOM 149 O ALA A 10 0.465 -3.843 22.963 1.00 50.34 O ATOM 150 CB ALA A 10 -0.924 -6.207 22.486 1.00 3.31 C ATOM 0 H ALA A 10 -1.559 -5.507 19.484 1.00 14.04 H new ATOM 0 HA ALA A 10 -1.944 -4.602 21.479 1.00 31.51 H new ATOM 0 HB1 ALA A 10 -1.076 -5.796 23.484 1.00 3.31 H new ATOM 0 HB2 ALA A 10 -1.712 -6.927 22.266 1.00 3.31 H new ATOM 0 HB3 ALA A 10 0.045 -6.705 22.443 1.00 3.31 H new ATOM 156 N GLY A 11 0.503 -3.229 20.801 1.00 31.14 N ATOM 157 CA GLY A 11 1.521 -2.203 21.019 1.00 54.11 C ATOM 158 C GLY A 11 2.948 -2.744 20.964 1.00 53.32 C ATOM 159 O GLY A 11 3.910 -1.975 20.949 1.00 32.02 O ATOM 0 H GLY A 11 0.169 -3.301 19.840 1.00 31.14 H new ATOM 0 HA2 GLY A 11 1.407 -1.423 20.267 1.00 54.11 H new ATOM 0 HA3 GLY A 11 1.354 -1.737 21.990 1.00 54.11 H new ATOM 163 N HIS A 12 3.086 -4.068 20.938 1.00 41.11 N ATOM 164 CA HIS A 12 4.398 -4.716 20.853 1.00 55.03 C ATOM 165 C HIS A 12 4.771 -4.965 19.382 1.00 60.14 C ATOM 166 O HIS A 12 4.172 -5.811 18.720 1.00 72.44 O ATOM 167 CB HIS A 12 4.380 -6.043 21.627 1.00 33.22 C ATOM 168 CG HIS A 12 3.901 -5.908 23.044 1.00 64.33 C ATOM 169 ND1 HIS A 12 2.657 -6.006 23.574 1.00 34.12 N flip ATOM 170 CD2 HIS A 12 4.737 -5.635 24.103 1.00 71.13 C flip ATOM 171 CE1 HIS A 12 2.768 -5.792 24.925 1.00 73.25 C flip ATOM 172 NE2 HIS A 12 4.034 -5.572 25.215 1.00 1.24 N flip ATOM 0 H HIS A 12 2.301 -4.719 20.975 1.00 41.11 H new ATOM 0 HA HIS A 12 5.146 -4.059 21.297 1.00 55.03 H new ATOM 0 HB2 HIS A 12 3.739 -6.751 21.102 1.00 33.22 H new ATOM 0 HB3 HIS A 12 5.385 -6.465 21.631 1.00 33.22 H new ATOM 0 HD2 HIS A 12 5.805 -5.494 24.033 1.00 71.13 H new ATOM 0 HE1 HIS A 12 1.953 -5.802 25.633 1.00 73.25 H new ATOM 0 HE2 HIS A 12 4.408 -5.384 26.145 1.00 1.24 H new ATOM 181 N GLU A 13 5.744 -4.214 18.870 1.00 52.51 N ATOM 182 CA GLU A 13 6.125 -4.311 17.453 1.00 12.41 C ATOM 183 C GLU A 13 7.178 -5.403 17.205 1.00 30.11 C ATOM 184 O GLU A 13 8.155 -5.531 17.948 1.00 60.31 O ATOM 185 CB GLU A 13 6.643 -2.960 16.917 1.00 71.03 C ATOM 186 CG GLU A 13 7.918 -2.440 17.589 1.00 44.31 C ATOM 187 CD GLU A 13 7.665 -1.779 18.936 1.00 20.42 C ATOM 188 OE1 GLU A 13 7.368 -0.565 18.955 1.00 40.22 O ATOM 189 OE2 GLU A 13 7.761 -2.466 19.977 1.00 42.53 O ATOM 0 H GLU A 13 6.283 -3.534 19.407 1.00 52.51 H new ATOM 0 HA GLU A 13 5.219 -4.586 16.912 1.00 12.41 H new ATOM 0 HB2 GLU A 13 6.829 -3.058 15.847 1.00 71.03 H new ATOM 0 HB3 GLU A 13 5.857 -2.214 17.037 1.00 71.03 H new ATOM 0 HG2 GLU A 13 8.613 -3.269 17.724 1.00 44.31 H new ATOM 0 HG3 GLU A 13 8.403 -1.723 16.926 1.00 44.31 H new ATOM 196 N PHE A 14 6.963 -6.193 16.155 1.00 22.32 N ATOM 197 CA PHE A 14 7.929 -7.208 15.722 1.00 41.24 C ATOM 198 C PHE A 14 8.262 -7.030 14.234 1.00 75.21 C ATOM 199 O PHE A 14 7.381 -7.115 13.376 1.00 1.32 O ATOM 200 CB PHE A 14 7.372 -8.616 15.970 1.00 20.21 C ATOM 201 CG PHE A 14 6.916 -8.837 17.391 1.00 24.12 C ATOM 202 CD1 PHE A 14 7.828 -9.145 18.389 1.00 54.21 C ATOM 203 CD2 PHE A 14 5.573 -8.729 17.728 1.00 1.30 C ATOM 204 CE1 PHE A 14 7.412 -9.337 19.692 1.00 0.43 C ATOM 205 CE2 PHE A 14 5.155 -8.921 19.027 1.00 73.21 C ATOM 206 CZ PHE A 14 6.074 -9.226 20.011 1.00 54.30 C ATOM 0 H PHE A 14 6.121 -6.151 15.582 1.00 22.32 H new ATOM 0 HA PHE A 14 8.842 -7.084 16.304 1.00 41.24 H new ATOM 0 HB2 PHE A 14 6.534 -8.791 15.296 1.00 20.21 H new ATOM 0 HB3 PHE A 14 8.138 -9.351 15.724 1.00 20.21 H new ATOM 0 HD1 PHE A 14 8.876 -9.236 18.145 1.00 54.21 H new ATOM 0 HD2 PHE A 14 4.848 -8.492 16.963 1.00 1.30 H new ATOM 0 HE1 PHE A 14 8.133 -9.574 20.460 1.00 0.43 H new ATOM 0 HE2 PHE A 14 4.108 -8.833 19.275 1.00 73.21 H new ATOM 0 HZ PHE A 14 5.746 -9.377 21.029 1.00 54.30 H new ATOM 216 N ALA A 15 9.535 -6.780 13.936 1.00 3.41 N ATOM 217 CA ALA A 15 9.985 -6.564 12.554 1.00 14.31 C ATOM 218 C ALA A 15 9.705 -7.784 11.659 1.00 13.45 C ATOM 219 O ALA A 15 9.578 -7.660 10.439 1.00 2.21 O ATOM 220 CB ALA A 15 11.473 -6.227 12.537 1.00 61.42 C ATOM 0 H ALA A 15 10.278 -6.721 14.632 1.00 3.41 H new ATOM 0 HA ALA A 15 9.418 -5.726 12.149 1.00 14.31 H new ATOM 0 HB1 ALA A 15 11.798 -6.068 11.509 1.00 61.42 H new ATOM 0 HB2 ALA A 15 11.647 -5.321 13.117 1.00 61.42 H new ATOM 0 HB3 ALA A 15 12.038 -7.051 12.973 1.00 61.42 H new ATOM 226 N ARG A 16 9.594 -8.957 12.278 1.00 14.52 N ATOM 227 CA ARG A 16 9.389 -10.207 11.544 1.00 74.21 C ATOM 228 C ARG A 16 8.484 -11.171 12.329 1.00 4.52 C ATOM 229 O ARG A 16 8.542 -11.229 13.560 1.00 3.33 O ATOM 230 CB ARG A 16 10.750 -10.856 11.270 1.00 51.42 C ATOM 231 CG ARG A 16 10.695 -12.089 10.377 1.00 22.23 C ATOM 232 CD ARG A 16 12.095 -12.603 10.062 1.00 73.44 C ATOM 233 NE ARG A 16 12.941 -11.550 9.506 1.00 63.42 N ATOM 234 CZ ARG A 16 14.154 -11.727 9.064 1.00 72.53 C ATOM 235 NH1 ARG A 16 14.710 -12.896 9.086 1.00 50.33 N ATOM 236 NH2 ARG A 16 14.812 -10.719 8.601 1.00 2.25 N ATOM 0 H ARG A 16 9.643 -9.070 13.291 1.00 14.52 H new ATOM 0 HA ARG A 16 8.891 -9.984 10.600 1.00 74.21 H new ATOM 0 HB2 ARG A 16 11.404 -10.117 10.807 1.00 51.42 H new ATOM 0 HB3 ARG A 16 11.204 -11.132 12.221 1.00 51.42 H new ATOM 0 HG2 ARG A 16 10.119 -12.873 10.869 1.00 22.23 H new ATOM 0 HG3 ARG A 16 10.176 -11.847 9.449 1.00 22.23 H new ATOM 0 HD2 ARG A 16 12.552 -12.996 10.970 1.00 73.44 H new ATOM 0 HD3 ARG A 16 12.029 -13.430 9.354 1.00 73.44 H new ATOM 0 HE ARG A 16 12.554 -10.607 9.460 1.00 63.42 H new ATOM 0 HH11 ARG A 16 14.198 -13.698 9.454 1.00 50.33 H new ATOM 0 HH12 ARG A 16 15.660 -13.015 8.736 1.00 50.33 H new ATOM 0 HH21 ARG A 16 14.382 -9.794 8.583 1.00 2.25 H new ATOM 0 HH22 ARG A 16 15.762 -10.847 8.253 1.00 2.25 H new ATOM 250 N LYS A 17 7.648 -11.925 11.615 1.00 71.22 N ATOM 251 CA LYS A 17 6.742 -12.892 12.249 1.00 73.34 C ATOM 252 C LYS A 17 7.510 -13.928 13.092 1.00 13.40 C ATOM 253 O LYS A 17 7.028 -14.366 14.142 1.00 41.33 O ATOM 254 CB LYS A 17 5.880 -13.593 11.185 1.00 63.22 C ATOM 255 CG LYS A 17 4.991 -14.708 11.735 1.00 72.30 C ATOM 256 CD LYS A 17 4.079 -14.220 12.864 1.00 13.52 C ATOM 257 CE LYS A 17 3.296 -15.367 13.492 1.00 24.13 C ATOM 258 NZ LYS A 17 2.502 -14.927 14.670 1.00 3.51 N ATOM 0 H LYS A 17 7.577 -11.887 10.598 1.00 71.22 H new ATOM 0 HA LYS A 17 6.090 -12.340 12.926 1.00 73.34 H new ATOM 0 HB2 LYS A 17 5.251 -12.850 10.696 1.00 63.22 H new ATOM 0 HB3 LYS A 17 6.535 -14.010 10.420 1.00 63.22 H new ATOM 0 HG2 LYS A 17 4.381 -15.115 10.928 1.00 72.30 H new ATOM 0 HG3 LYS A 17 5.617 -15.521 12.102 1.00 72.30 H new ATOM 0 HD2 LYS A 17 4.679 -13.727 13.629 1.00 13.52 H new ATOM 0 HD3 LYS A 17 3.385 -13.475 12.475 1.00 13.52 H new ATOM 0 HE2 LYS A 17 2.628 -15.799 12.747 1.00 24.13 H new ATOM 0 HE3 LYS A 17 3.987 -16.153 13.795 1.00 24.13 H new ATOM 0 HZ1 LYS A 17 1.986 -15.740 15.064 1.00 3.51 H new ATOM 0 HZ2 LYS A 17 3.140 -14.538 15.393 1.00 3.51 H new ATOM 0 HZ3 LYS A 17 1.823 -14.195 14.378 1.00 3.51 H new ATOM 272 N ALA A 18 8.696 -14.316 12.630 1.00 13.15 N ATOM 273 CA ALA A 18 9.566 -15.219 13.393 1.00 12.10 C ATOM 274 C ALA A 18 9.843 -14.673 14.804 1.00 22.10 C ATOM 275 O ALA A 18 9.724 -15.394 15.798 1.00 72.33 O ATOM 276 CB ALA A 18 10.874 -15.439 12.643 1.00 13.10 C ATOM 0 H ALA A 18 9.080 -14.022 11.732 1.00 13.15 H new ATOM 0 HA ALA A 18 9.051 -16.173 13.502 1.00 12.10 H new ATOM 0 HB1 ALA A 18 11.514 -16.110 13.216 1.00 13.10 H new ATOM 0 HB2 ALA A 18 10.665 -15.881 11.669 1.00 13.10 H new ATOM 0 HB3 ALA A 18 11.380 -14.483 12.507 1.00 13.10 H new ATOM 282 N ASP A 19 10.202 -13.390 14.881 1.00 41.41 N ATOM 283 CA ASP A 19 10.454 -12.723 16.161 1.00 25.23 C ATOM 284 C ASP A 19 9.195 -12.736 17.048 1.00 71.12 C ATOM 285 O ASP A 19 9.281 -12.887 18.271 1.00 0.22 O ATOM 286 CB ASP A 19 10.925 -11.284 15.914 1.00 34.34 C ATOM 287 CG ASP A 19 11.476 -10.634 17.169 1.00 21.23 C ATOM 288 OD1 ASP A 19 12.464 -11.156 17.724 1.00 22.12 O ATOM 289 OD2 ASP A 19 10.920 -9.614 17.622 1.00 74.14 O ATOM 0 H ASP A 19 10.325 -12.788 14.067 1.00 41.41 H new ATOM 0 HA ASP A 19 11.238 -13.268 16.688 1.00 25.23 H new ATOM 0 HB2 ASP A 19 11.693 -11.283 15.140 1.00 34.34 H new ATOM 0 HB3 ASP A 19 10.092 -10.691 15.537 1.00 34.34 H new ATOM 294 N ALA A 20 8.030 -12.589 16.416 1.00 42.03 N ATOM 295 CA ALA A 20 6.746 -12.650 17.124 1.00 21.22 C ATOM 296 C ALA A 20 6.517 -14.030 17.768 1.00 62.44 C ATOM 297 O ALA A 20 6.038 -14.123 18.899 1.00 11.43 O ATOM 298 CB ALA A 20 5.603 -12.311 16.172 1.00 32.15 C ATOM 0 H ALA A 20 7.947 -12.426 15.412 1.00 42.03 H new ATOM 0 HA ALA A 20 6.773 -11.913 17.926 1.00 21.22 H new ATOM 0 HB1 ALA A 20 4.656 -12.360 16.709 1.00 32.15 H new ATOM 0 HB2 ALA A 20 5.745 -11.305 15.777 1.00 32.15 H new ATOM 0 HB3 ALA A 20 5.591 -13.026 15.349 1.00 32.15 H new ATOM 304 N LEU A 21 6.857 -15.102 17.045 1.00 2.42 N ATOM 305 CA LEU A 21 6.737 -16.463 17.591 1.00 13.42 C ATOM 306 C LEU A 21 7.776 -16.709 18.692 1.00 54.52 C ATOM 307 O LEU A 21 7.500 -17.400 19.673 1.00 5.24 O ATOM 308 CB LEU A 21 6.876 -17.525 16.489 1.00 40.41 C ATOM 309 CG LEU A 21 5.718 -17.587 15.479 1.00 55.04 C ATOM 310 CD1 LEU A 21 5.890 -18.777 14.537 1.00 11.31 C ATOM 311 CD2 LEU A 21 4.373 -17.660 16.204 1.00 74.23 C ATOM 0 H LEU A 21 7.214 -15.058 16.090 1.00 2.42 H new ATOM 0 HA LEU A 21 5.741 -16.549 18.025 1.00 13.42 H new ATOM 0 HB2 LEU A 21 7.801 -17.338 15.944 1.00 40.41 H new ATOM 0 HB3 LEU A 21 6.976 -18.502 16.961 1.00 40.41 H new ATOM 0 HG LEU A 21 5.734 -16.675 14.883 1.00 55.04 H new ATOM 0 HD11 LEU A 21 5.061 -18.804 13.830 1.00 11.31 H new ATOM 0 HD12 LEU A 21 6.829 -18.677 13.992 1.00 11.31 H new ATOM 0 HD13 LEU A 21 5.903 -19.700 15.116 1.00 11.31 H new ATOM 0 HD21 LEU A 21 3.567 -17.703 15.472 1.00 74.23 H new ATOM 0 HD22 LEU A 21 4.344 -18.553 16.828 1.00 74.23 H new ATOM 0 HD23 LEU A 21 4.248 -16.776 16.829 1.00 74.23 H new ATOM 323 N ALA A 22 8.969 -16.142 18.522 1.00 41.24 N ATOM 324 CA ALA A 22 10.013 -16.212 19.549 1.00 5.14 C ATOM 325 C ALA A 22 9.523 -15.600 20.869 1.00 54.42 C ATOM 326 O ALA A 22 9.681 -16.190 21.938 1.00 73.01 O ATOM 327 CB ALA A 22 11.279 -15.508 19.068 1.00 20.24 C ATOM 0 H ALA A 22 9.239 -15.628 17.683 1.00 41.24 H new ATOM 0 HA ALA A 22 10.246 -17.261 19.729 1.00 5.14 H new ATOM 0 HB1 ALA A 22 12.045 -15.568 19.841 1.00 20.24 H new ATOM 0 HB2 ALA A 22 11.641 -15.990 18.160 1.00 20.24 H new ATOM 0 HB3 ALA A 22 11.056 -14.462 18.859 1.00 20.24 H new ATOM 333 N PHE A 23 8.911 -14.419 20.778 1.00 63.22 N ATOM 334 CA PHE A 23 8.330 -13.749 21.948 1.00 51.40 C ATOM 335 C PHE A 23 7.280 -14.643 22.631 1.00 61.53 C ATOM 336 O PHE A 23 7.307 -14.835 23.850 1.00 25.13 O ATOM 337 CB PHE A 23 7.699 -12.412 21.525 1.00 62.42 C ATOM 338 CG PHE A 23 7.046 -11.650 22.655 1.00 51.22 C ATOM 339 CD1 PHE A 23 7.811 -10.920 23.555 1.00 12.44 C ATOM 340 CD2 PHE A 23 5.664 -11.655 22.811 1.00 54.24 C ATOM 341 CE1 PHE A 23 7.214 -10.217 24.585 1.00 52.34 C ATOM 342 CE2 PHE A 23 5.065 -10.953 23.840 1.00 4.24 C ATOM 343 CZ PHE A 23 5.841 -10.233 24.726 1.00 34.42 C ATOM 0 H PHE A 23 8.803 -13.903 19.905 1.00 63.22 H new ATOM 0 HA PHE A 23 9.127 -13.557 22.666 1.00 51.40 H new ATOM 0 HB2 PHE A 23 8.470 -11.785 21.077 1.00 62.42 H new ATOM 0 HB3 PHE A 23 6.954 -12.603 20.752 1.00 62.42 H new ATOM 0 HD1 PHE A 23 8.886 -10.901 23.449 1.00 12.44 H new ATOM 0 HD2 PHE A 23 5.051 -12.214 22.120 1.00 54.24 H new ATOM 0 HE1 PHE A 23 7.822 -9.655 25.279 1.00 52.34 H new ATOM 0 HE2 PHE A 23 3.991 -10.968 23.951 1.00 4.24 H new ATOM 0 HZ PHE A 23 5.374 -9.682 25.529 1.00 34.42 H new ATOM 353 N MET A 24 6.364 -15.191 21.830 1.00 41.45 N ATOM 354 CA MET A 24 5.335 -16.112 22.331 1.00 44.41 C ATOM 355 C MET A 24 5.966 -17.318 23.042 1.00 1.14 C ATOM 356 O MET A 24 5.591 -17.660 24.162 1.00 70.53 O ATOM 357 CB MET A 24 4.447 -16.600 21.175 1.00 25.44 C ATOM 358 CG MET A 24 3.638 -15.499 20.502 1.00 64.33 C ATOM 359 SD MET A 24 2.668 -16.109 19.106 1.00 12.42 S ATOM 360 CE MET A 24 1.804 -14.621 18.615 1.00 35.33 C ATOM 0 H MET A 24 6.312 -15.013 20.827 1.00 41.45 H new ATOM 0 HA MET A 24 4.725 -15.568 23.052 1.00 44.41 H new ATOM 0 HB2 MET A 24 5.076 -17.082 20.427 1.00 25.44 H new ATOM 0 HB3 MET A 24 3.762 -17.359 21.553 1.00 25.44 H new ATOM 0 HG2 MET A 24 2.970 -15.044 21.234 1.00 64.33 H new ATOM 0 HG3 MET A 24 4.313 -14.716 20.157 1.00 64.33 H new ATOM 0 HE1 MET A 24 1.176 -14.834 17.750 1.00 35.33 H new ATOM 0 HE2 MET A 24 1.181 -14.273 19.439 1.00 35.33 H new ATOM 0 HE3 MET A 24 2.528 -13.848 18.357 1.00 35.33 H new ATOM 370 N LYS A 25 6.937 -17.943 22.382 1.00 40.52 N ATOM 371 CA LYS A 25 7.622 -19.121 22.921 1.00 1.22 C ATOM 372 C LYS A 25 8.314 -18.822 24.262 1.00 62.30 C ATOM 373 O LYS A 25 8.120 -19.543 25.240 1.00 4.40 O ATOM 374 CB LYS A 25 8.647 -19.637 21.906 1.00 14.23 C ATOM 375 CG LYS A 25 9.429 -20.860 22.378 1.00 73.34 C ATOM 376 CD LYS A 25 10.436 -21.320 21.329 1.00 13.12 C ATOM 377 CE LYS A 25 11.265 -22.503 21.816 1.00 33.53 C ATOM 378 NZ LYS A 25 12.271 -22.929 20.808 1.00 31.31 N ATOM 0 H LYS A 25 7.272 -17.652 21.464 1.00 40.52 H new ATOM 0 HA LYS A 25 6.868 -19.886 23.105 1.00 1.22 H new ATOM 0 HB2 LYS A 25 8.131 -19.885 20.978 1.00 14.23 H new ATOM 0 HB3 LYS A 25 9.350 -18.836 21.676 1.00 14.23 H new ATOM 0 HG2 LYS A 25 9.951 -20.624 23.305 1.00 73.34 H new ATOM 0 HG3 LYS A 25 8.737 -21.672 22.600 1.00 73.34 H new ATOM 0 HD2 LYS A 25 9.908 -21.598 20.417 1.00 13.12 H new ATOM 0 HD3 LYS A 25 11.099 -20.493 21.075 1.00 13.12 H new ATOM 0 HE2 LYS A 25 11.772 -22.234 22.743 1.00 33.53 H new ATOM 0 HE3 LYS A 25 10.604 -23.339 22.045 1.00 33.53 H new ATOM 0 HZ1 LYS A 25 12.813 -23.735 21.178 1.00 31.31 H new ATOM 0 HZ2 LYS A 25 11.787 -23.210 19.932 1.00 31.31 H new ATOM 0 HZ3 LYS A 25 12.918 -22.140 20.608 1.00 31.31 H new ATOM 392 N VAL A 26 9.117 -17.758 24.301 1.00 71.42 N ATOM 393 CA VAL A 26 9.845 -17.383 25.520 1.00 11.42 C ATOM 394 C VAL A 26 8.895 -17.162 26.707 1.00 71.31 C ATOM 395 O VAL A 26 9.001 -17.845 27.729 1.00 74.21 O ATOM 396 CB VAL A 26 10.700 -16.109 25.311 1.00 32.24 C ATOM 397 CG1 VAL A 26 11.371 -15.685 26.617 1.00 3.14 C ATOM 398 CG2 VAL A 26 11.747 -16.332 24.220 1.00 34.35 C ATOM 0 H VAL A 26 9.281 -17.140 23.506 1.00 71.42 H new ATOM 0 HA VAL A 26 10.506 -18.220 25.746 1.00 11.42 H new ATOM 0 HB VAL A 26 10.036 -15.306 24.991 1.00 32.24 H new ATOM 0 HG11 VAL A 26 11.966 -14.788 26.446 1.00 3.14 H new ATOM 0 HG12 VAL A 26 10.608 -15.477 27.367 1.00 3.14 H new ATOM 0 HG13 VAL A 26 12.018 -16.488 26.971 1.00 3.14 H new ATOM 0 HG21 VAL A 26 12.336 -15.424 24.090 1.00 34.35 H new ATOM 0 HG22 VAL A 26 12.404 -17.153 24.508 1.00 34.35 H new ATOM 0 HG23 VAL A 26 11.249 -16.578 23.282 1.00 34.35 H new ATOM 408 N MET A 27 7.957 -16.219 26.568 1.00 53.51 N ATOM 409 CA MET A 27 7.019 -15.915 27.658 1.00 63.54 C ATOM 410 C MET A 27 6.204 -17.157 28.055 1.00 50.04 C ATOM 411 O MET A 27 5.828 -17.317 29.215 1.00 31.01 O ATOM 412 CB MET A 27 6.087 -14.751 27.284 1.00 22.10 C ATOM 413 CG MET A 27 5.069 -15.069 26.196 1.00 3.45 C ATOM 414 SD MET A 27 3.991 -13.663 25.843 1.00 15.30 S ATOM 415 CE MET A 27 2.811 -14.398 24.710 1.00 2.10 C ATOM 0 H MET A 27 7.826 -15.659 25.725 1.00 53.51 H new ATOM 0 HA MET A 27 7.611 -15.609 28.521 1.00 63.54 H new ATOM 0 HB2 MET A 27 5.553 -14.430 28.179 1.00 22.10 H new ATOM 0 HB3 MET A 27 6.696 -13.908 26.957 1.00 22.10 H new ATOM 0 HG2 MET A 27 5.592 -15.362 25.286 1.00 3.45 H new ATOM 0 HG3 MET A 27 4.463 -15.921 26.504 1.00 3.45 H new ATOM 0 HE1 MET A 27 2.920 -13.943 23.725 1.00 2.10 H new ATOM 0 HE2 MET A 27 2.996 -15.470 24.637 1.00 2.10 H new ATOM 0 HE3 MET A 27 1.799 -14.228 25.078 1.00 2.10 H new ATOM 425 N LEU A 28 5.952 -18.032 27.083 1.00 31.32 N ATOM 426 CA LEU A 28 5.275 -19.312 27.323 1.00 61.14 C ATOM 427 C LEU A 28 6.139 -20.253 28.181 1.00 13.30 C ATOM 428 O LEU A 28 5.668 -20.831 29.161 1.00 14.51 O ATOM 429 CB LEU A 28 4.959 -19.968 25.975 1.00 65.40 C ATOM 430 CG LEU A 28 4.289 -21.346 26.028 1.00 4.04 C ATOM 431 CD1 LEU A 28 2.939 -21.277 26.740 1.00 13.23 C ATOM 432 CD2 LEU A 28 4.129 -21.898 24.616 1.00 5.20 C ATOM 0 H LEU A 28 6.209 -17.877 26.108 1.00 31.32 H new ATOM 0 HA LEU A 28 4.353 -19.123 27.872 1.00 61.14 H new ATOM 0 HB2 LEU A 28 4.313 -19.295 25.411 1.00 65.40 H new ATOM 0 HB3 LEU A 28 5.889 -20.062 25.414 1.00 65.40 H new ATOM 0 HG LEU A 28 4.927 -22.019 26.600 1.00 4.04 H new ATOM 0 HD11 LEU A 28 2.488 -22.269 26.762 1.00 13.23 H new ATOM 0 HD12 LEU A 28 3.083 -20.921 27.760 1.00 13.23 H new ATOM 0 HD13 LEU A 28 2.281 -20.591 26.207 1.00 13.23 H new ATOM 0 HD21 LEU A 28 3.652 -22.877 24.660 1.00 5.20 H new ATOM 0 HD22 LEU A 28 3.511 -21.220 24.028 1.00 5.20 H new ATOM 0 HD23 LEU A 28 5.109 -21.992 24.149 1.00 5.20 H new ATOM 444 N ASN A 29 7.413 -20.384 27.808 1.00 24.32 N ATOM 445 CA ASN A 29 8.364 -21.237 28.537 1.00 62.42 C ATOM 446 C ASN A 29 8.609 -20.720 29.966 1.00 12.00 C ATOM 447 O ASN A 29 9.072 -21.463 30.832 1.00 31.11 O ATOM 448 CB ASN A 29 9.699 -21.324 27.776 1.00 35.15 C ATOM 449 CG ASN A 29 9.616 -22.143 26.494 1.00 62.13 C ATOM 450 OD1 ASN A 29 8.456 -22.184 25.864 1.00 34.41 O flip ATOM 451 ND2 ASN A 29 10.601 -22.735 26.061 1.00 73.11 N flip ATOM 0 H ASN A 29 7.816 -19.908 27.000 1.00 24.32 H new ATOM 0 HA ASN A 29 7.924 -22.232 28.608 1.00 62.42 H new ATOM 0 HB2 ASN A 29 10.036 -20.316 27.533 1.00 35.15 H new ATOM 0 HB3 ASN A 29 10.453 -21.763 28.430 1.00 35.15 H new ATOM 0 HD21 ASN A 29 11.486 -22.689 26.565 1.00 73.11 H new ATOM 0 HD22 ASN A 29 10.534 -23.273 25.197 1.00 73.11 H new ATOM 458 N ARG A 30 8.309 -19.441 30.203 1.00 41.22 N ATOM 459 CA ARG A 30 8.403 -18.862 31.550 1.00 21.12 C ATOM 460 C ARG A 30 7.322 -19.447 32.477 1.00 52.01 C ATOM 461 O ARG A 30 7.467 -19.441 33.702 1.00 60.24 O ATOM 462 CB ARG A 30 8.292 -17.330 31.485 1.00 54.32 C ATOM 463 CG ARG A 30 9.398 -16.671 30.661 1.00 45.20 C ATOM 464 CD ARG A 30 10.787 -17.032 31.180 1.00 41.22 C ATOM 465 NE ARG A 30 11.852 -16.502 30.330 1.00 2.11 N ATOM 466 CZ ARG A 30 13.021 -17.066 30.189 1.00 21.41 C ATOM 467 NH1 ARG A 30 13.306 -18.155 30.826 1.00 34.42 N ATOM 468 NH2 ARG A 30 13.911 -16.536 29.417 1.00 33.31 N ATOM 0 H ARG A 30 8.000 -18.787 29.484 1.00 41.22 H new ATOM 0 HA ARG A 30 9.377 -19.120 31.965 1.00 21.12 H new ATOM 0 HB2 ARG A 30 7.325 -17.062 31.060 1.00 54.32 H new ATOM 0 HB3 ARG A 30 8.317 -16.929 32.498 1.00 54.32 H new ATOM 0 HG2 ARG A 30 9.308 -16.980 29.620 1.00 45.20 H new ATOM 0 HG3 ARG A 30 9.272 -15.589 30.684 1.00 45.20 H new ATOM 0 HD2 ARG A 30 10.906 -16.645 32.192 1.00 41.22 H new ATOM 0 HD3 ARG A 30 10.879 -18.116 31.241 1.00 41.22 H new ATOM 0 HE ARG A 30 11.671 -15.640 29.816 1.00 2.11 H new ATOM 0 HH11 ARG A 30 12.615 -18.580 31.444 1.00 34.42 H new ATOM 0 HH12 ARG A 30 14.222 -18.589 30.710 1.00 34.42 H new ATOM 0 HH21 ARG A 30 13.702 -15.673 28.915 1.00 33.31 H new ATOM 0 HH22 ARG A 30 14.823 -16.980 29.310 1.00 33.31 H new ATOM 482 N TYR A 31 6.241 -19.950 31.882 1.00 74.15 N ATOM 483 CA TYR A 31 5.197 -20.658 32.632 1.00 20.30 C ATOM 484 C TYR A 31 5.454 -22.169 32.627 1.00 3.42 C ATOM 485 O TYR A 31 6.298 -22.671 31.880 1.00 74.10 O ATOM 486 CB TYR A 31 3.809 -20.389 32.031 1.00 32.15 C ATOM 487 CG TYR A 31 3.394 -18.933 32.040 1.00 63.21 C ATOM 488 CD1 TYR A 31 2.776 -18.369 33.152 1.00 4.02 C ATOM 489 CD2 TYR A 31 3.614 -18.124 30.934 1.00 74.42 C ATOM 490 CE1 TYR A 31 2.391 -17.043 33.155 1.00 22.31 C ATOM 491 CE2 TYR A 31 3.233 -16.800 30.932 1.00 12.02 C ATOM 492 CZ TYR A 31 2.623 -16.265 32.042 1.00 2.24 C ATOM 493 OH TYR A 31 2.251 -14.942 32.037 1.00 21.41 O ATOM 0 H TYR A 31 6.063 -19.881 30.880 1.00 74.15 H new ATOM 0 HA TYR A 31 5.225 -20.287 33.656 1.00 20.30 H new ATOM 0 HB2 TYR A 31 3.795 -20.752 31.003 1.00 32.15 H new ATOM 0 HB3 TYR A 31 3.069 -20.968 32.583 1.00 32.15 H new ATOM 0 HD1 TYR A 31 2.595 -18.978 34.026 1.00 4.02 H new ATOM 0 HD2 TYR A 31 4.092 -18.540 30.059 1.00 74.42 H new ATOM 0 HE1 TYR A 31 1.911 -16.618 34.024 1.00 22.31 H new ATOM 0 HE2 TYR A 31 3.413 -16.185 30.062 1.00 12.02 H new ATOM 0 HH TYR A 31 3.042 -14.380 31.898 1.00 21.41 H new ATOM 503 N ARG A 32 4.717 -22.889 33.458 1.00 42.33 N ATOM 504 CA ARG A 32 4.771 -24.352 33.480 1.00 1.50 C ATOM 505 C ARG A 32 3.542 -24.934 32.758 1.00 41.51 C ATOM 506 O ARG A 32 2.574 -24.214 32.503 1.00 25.00 O ATOM 507 CB ARG A 32 4.829 -24.837 34.933 1.00 31.32 C ATOM 508 CG ARG A 32 6.031 -24.300 35.708 1.00 54.50 C ATOM 509 CD ARG A 32 5.895 -24.553 37.203 1.00 45.32 C ATOM 510 NE ARG A 32 4.672 -23.959 37.735 1.00 30.14 N ATOM 511 CZ ARG A 32 4.293 -24.039 38.978 1.00 61.53 C ATOM 512 NH1 ARG A 32 5.017 -24.660 39.851 1.00 33.13 N ATOM 513 NH2 ARG A 32 3.185 -23.490 39.349 1.00 74.34 N ATOM 0 H ARG A 32 4.068 -22.485 34.133 1.00 42.33 H new ATOM 0 HA ARG A 32 5.666 -24.694 32.960 1.00 1.50 H new ATOM 0 HB2 ARG A 32 3.914 -24.538 35.444 1.00 31.32 H new ATOM 0 HB3 ARG A 32 4.858 -25.927 34.943 1.00 31.32 H new ATOM 0 HG2 ARG A 32 6.942 -24.772 35.340 1.00 54.50 H new ATOM 0 HG3 ARG A 32 6.132 -23.230 35.528 1.00 54.50 H new ATOM 0 HD2 ARG A 32 5.892 -25.626 37.393 1.00 45.32 H new ATOM 0 HD3 ARG A 32 6.759 -24.139 37.724 1.00 45.32 H new ATOM 0 HE ARG A 32 4.073 -23.446 37.088 1.00 30.14 H new ATOM 0 HH11 ARG A 32 5.896 -25.094 39.569 1.00 33.13 H new ATOM 0 HH12 ARG A 32 4.709 -24.716 40.822 1.00 33.13 H new ATOM 0 HH21 ARG A 32 2.608 -22.995 38.669 1.00 74.34 H new ATOM 0 HH22 ARG A 32 2.886 -23.552 40.322 1.00 74.34 H new ATOM 527 N PRO A 33 3.555 -26.236 32.405 1.00 13.14 N ATOM 528 CA PRO A 33 2.414 -26.893 31.722 1.00 23.54 C ATOM 529 C PRO A 33 1.138 -27.026 32.592 1.00 31.04 C ATOM 530 O PRO A 33 0.397 -28.005 32.468 1.00 33.42 O ATOM 531 CB PRO A 33 2.970 -28.290 31.368 1.00 51.22 C ATOM 532 CG PRO A 33 4.455 -28.169 31.499 1.00 50.12 C ATOM 533 CD PRO A 33 4.681 -27.169 32.595 1.00 60.41 C ATOM 0 HA PRO A 33 2.084 -26.303 30.867 1.00 23.54 H new ATOM 0 HB2 PRO A 33 2.577 -29.052 32.041 1.00 51.22 H new ATOM 0 HB3 PRO A 33 2.687 -28.581 30.357 1.00 51.22 H new ATOM 0 HG2 PRO A 33 4.907 -29.130 31.745 1.00 50.12 H new ATOM 0 HG3 PRO A 33 4.905 -27.835 30.564 1.00 50.12 H new ATOM 0 HD2 PRO A 33 4.662 -27.634 33.581 1.00 60.41 H new ATOM 0 HD3 PRO A 33 5.645 -26.669 32.497 1.00 60.41 H new ATOM 541 N GLY A 34 0.870 -26.036 33.447 1.00 71.54 N ATOM 542 CA GLY A 34 -0.338 -26.056 34.268 1.00 71.42 C ATOM 543 C GLY A 34 -0.584 -24.751 35.029 1.00 41.40 C ATOM 544 O GLY A 34 -1.143 -24.764 36.129 1.00 42.43 O ATOM 0 H GLY A 34 1.467 -25.221 33.587 1.00 71.54 H new ATOM 0 HA2 GLY A 34 -1.197 -26.262 33.630 1.00 71.42 H new ATOM 0 HA3 GLY A 34 -0.268 -26.876 34.983 1.00 71.42 H new ATOM 548 N ASP A 35 -0.173 -23.620 34.446 1.00 44.41 N ATOM 549 CA ASP A 35 -0.356 -22.300 35.081 1.00 4.24 C ATOM 550 C ASP A 35 -1.346 -21.411 34.311 1.00 71.34 C ATOM 551 O ASP A 35 -1.789 -21.745 33.209 1.00 51.12 O ATOM 552 CB ASP A 35 0.984 -21.560 35.199 1.00 4.43 C ATOM 553 CG ASP A 35 1.918 -22.180 36.221 1.00 41.33 C ATOM 554 OD1 ASP A 35 1.507 -22.341 37.393 1.00 4.32 O ATOM 555 OD2 ASP A 35 3.073 -22.474 35.872 1.00 30.54 O ATOM 0 H ASP A 35 0.288 -23.587 33.537 1.00 44.41 H new ATOM 0 HA ASP A 35 -0.766 -22.493 36.073 1.00 4.24 H new ATOM 0 HB2 ASP A 35 1.474 -21.551 34.226 1.00 4.43 H new ATOM 0 HB3 ASP A 35 0.796 -20.521 35.470 1.00 4.43 H new ATOM 560 N ILE A 36 -1.683 -20.268 34.911 1.00 15.45 N ATOM 561 CA ILE A 36 -2.537 -19.261 34.269 1.00 73.14 C ATOM 562 C ILE A 36 -1.690 -18.116 33.683 1.00 55.31 C ATOM 563 O ILE A 36 -0.721 -17.669 34.300 1.00 40.14 O ATOM 564 CB ILE A 36 -3.566 -18.676 35.275 1.00 21.13 C ATOM 565 CG1 ILE A 36 -4.467 -19.790 35.839 1.00 53.32 C ATOM 566 CG2 ILE A 36 -4.411 -17.584 34.617 1.00 42.41 C ATOM 567 CD1 ILE A 36 -5.288 -20.511 34.789 1.00 3.42 C ATOM 0 H ILE A 36 -1.375 -20.013 35.849 1.00 15.45 H new ATOM 0 HA ILE A 36 -3.075 -19.759 33.462 1.00 73.14 H new ATOM 0 HB ILE A 36 -3.014 -18.228 36.101 1.00 21.13 H new ATOM 0 HG12 ILE A 36 -3.845 -20.517 36.361 1.00 53.32 H new ATOM 0 HG13 ILE A 36 -5.141 -19.358 36.579 1.00 53.32 H new ATOM 0 HG21 ILE A 36 -5.124 -17.190 35.341 1.00 42.41 H new ATOM 0 HG22 ILE A 36 -3.761 -16.779 34.272 1.00 42.41 H new ATOM 0 HG23 ILE A 36 -4.951 -18.004 33.768 1.00 42.41 H new ATOM 0 HD11 ILE A 36 -5.895 -21.280 35.267 1.00 3.42 H new ATOM 0 HD12 ILE A 36 -5.938 -19.798 34.283 1.00 3.42 H new ATOM 0 HD13 ILE A 36 -4.622 -20.975 34.061 1.00 3.42 H new ATOM 579 N VAL A 37 -2.064 -17.648 32.494 1.00 10.35 N ATOM 580 CA VAL A 37 -1.333 -16.570 31.814 1.00 71.43 C ATOM 581 C VAL A 37 -1.543 -15.209 32.508 1.00 64.43 C ATOM 582 O VAL A 37 -2.620 -14.930 33.038 1.00 55.10 O ATOM 583 CB VAL A 37 -1.757 -16.477 30.325 1.00 31.24 C ATOM 584 CG1 VAL A 37 -1.011 -15.360 29.604 1.00 24.32 C ATOM 585 CG2 VAL A 37 -1.526 -17.812 29.623 1.00 43.32 C ATOM 0 H VAL A 37 -2.871 -17.997 31.977 1.00 10.35 H new ATOM 0 HA VAL A 37 -0.272 -16.814 31.869 1.00 71.43 H new ATOM 0 HB VAL A 37 -2.821 -16.242 30.294 1.00 31.24 H new ATOM 0 HG11 VAL A 37 -1.331 -15.322 28.563 1.00 24.32 H new ATOM 0 HG12 VAL A 37 -1.229 -14.407 30.086 1.00 24.32 H new ATOM 0 HG13 VAL A 37 0.061 -15.552 29.647 1.00 24.32 H new ATOM 0 HG21 VAL A 37 -1.828 -17.731 28.579 1.00 43.32 H new ATOM 0 HG22 VAL A 37 -0.469 -18.073 29.676 1.00 43.32 H new ATOM 0 HG23 VAL A 37 -2.116 -18.587 30.112 1.00 43.32 H new ATOM 595 N SER A 38 -0.502 -14.372 32.502 1.00 22.50 N ATOM 596 CA SER A 38 -0.536 -13.062 33.179 1.00 32.52 C ATOM 597 C SER A 38 -1.265 -11.982 32.356 1.00 4.31 C ATOM 598 O SER A 38 -1.781 -12.247 31.270 1.00 3.24 O ATOM 599 CB SER A 38 0.890 -12.587 33.478 1.00 61.32 C ATOM 600 OG SER A 38 1.584 -13.499 34.315 1.00 44.45 O ATOM 0 H SER A 38 0.382 -14.575 32.035 1.00 22.50 H new ATOM 0 HA SER A 38 -1.094 -13.204 34.105 1.00 32.52 H new ATOM 0 HB2 SER A 38 1.436 -12.464 32.543 1.00 61.32 H new ATOM 0 HB3 SER A 38 0.854 -11.609 33.957 1.00 61.32 H new ATOM 0 HG SER A 38 1.979 -14.210 33.768 1.00 44.45 H new ATOM 606 N THR A 39 -1.271 -10.753 32.885 1.00 32.23 N ATOM 607 CA THR A 39 -1.994 -9.620 32.279 1.00 34.22 C ATOM 608 C THR A 39 -1.518 -9.300 30.852 1.00 0.14 C ATOM 609 O THR A 39 -2.257 -9.497 29.884 1.00 74.22 O ATOM 610 CB THR A 39 -1.851 -8.345 33.147 1.00 64.52 C ATOM 611 OG1 THR A 39 -2.275 -8.622 34.490 1.00 30.00 O ATOM 612 CG2 THR A 39 -2.672 -7.187 32.581 1.00 5.21 C ATOM 0 H THR A 39 -0.777 -10.512 33.744 1.00 32.23 H new ATOM 0 HA THR A 39 -3.038 -9.928 32.228 1.00 34.22 H new ATOM 0 HB THR A 39 -0.801 -8.052 33.141 1.00 64.52 H new ATOM 0 HG1 THR A 39 -2.181 -7.814 35.036 1.00 30.00 H new ATOM 0 HG21 THR A 39 -2.548 -6.309 33.215 1.00 5.21 H new ATOM 0 HG22 THR A 39 -2.330 -6.957 31.572 1.00 5.21 H new ATOM 0 HG23 THR A 39 -3.725 -7.468 32.552 1.00 5.21 H new ATOM 620 N VAL A 40 -0.285 -8.805 30.729 1.00 21.01 N ATOM 621 CA VAL A 40 0.268 -8.392 29.429 1.00 32.40 C ATOM 622 C VAL A 40 0.320 -9.569 28.446 1.00 54.13 C ATOM 623 O VAL A 40 -0.050 -9.442 27.278 1.00 2.12 O ATOM 624 CB VAL A 40 1.696 -7.806 29.588 1.00 13.21 C ATOM 625 CG1 VAL A 40 2.238 -7.302 28.250 1.00 71.42 C ATOM 626 CG2 VAL A 40 1.711 -6.696 30.636 1.00 43.23 C ATOM 0 H VAL A 40 0.354 -8.678 31.514 1.00 21.01 H new ATOM 0 HA VAL A 40 -0.396 -7.623 29.033 1.00 32.40 H new ATOM 0 HB VAL A 40 2.351 -8.607 29.931 1.00 13.21 H new ATOM 0 HG11 VAL A 40 3.240 -6.897 28.393 1.00 71.42 H new ATOM 0 HG12 VAL A 40 2.278 -8.128 27.539 1.00 71.42 H new ATOM 0 HG13 VAL A 40 1.583 -6.522 27.863 1.00 71.42 H new ATOM 0 HG21 VAL A 40 2.722 -6.299 30.731 1.00 43.23 H new ATOM 0 HG22 VAL A 40 1.035 -5.897 30.330 1.00 43.23 H new ATOM 0 HG23 VAL A 40 1.387 -7.098 31.596 1.00 43.23 H new ATOM 636 N ASP A 41 0.780 -10.709 28.942 1.00 51.22 N ATOM 637 CA ASP A 41 0.870 -11.933 28.151 1.00 64.12 C ATOM 638 C ASP A 41 -0.504 -12.317 27.565 1.00 23.20 C ATOM 639 O ASP A 41 -0.621 -12.647 26.385 1.00 73.24 O ATOM 640 CB ASP A 41 1.407 -13.064 29.034 1.00 14.00 C ATOM 641 CG ASP A 41 2.673 -12.673 29.779 1.00 44.21 C ATOM 642 OD1 ASP A 41 2.594 -11.801 30.674 1.00 40.11 O ATOM 643 OD2 ASP A 41 3.746 -13.243 29.492 1.00 23.24 O ATOM 0 H ASP A 41 1.102 -10.814 29.904 1.00 51.22 H new ATOM 0 HA ASP A 41 1.551 -11.765 27.316 1.00 64.12 H new ATOM 0 HB2 ASP A 41 0.641 -13.353 29.754 1.00 14.00 H new ATOM 0 HB3 ASP A 41 1.609 -13.938 28.415 1.00 14.00 H new ATOM 648 N GLY A 42 -1.541 -12.262 28.405 1.00 40.01 N ATOM 649 CA GLY A 42 -2.899 -12.574 27.962 1.00 14.44 C ATOM 650 C GLY A 42 -3.463 -11.539 26.991 1.00 22.13 C ATOM 651 O GLY A 42 -4.094 -11.894 25.993 1.00 24.32 O ATOM 0 H GLY A 42 -1.466 -12.006 29.389 1.00 40.01 H new ATOM 0 HA2 GLY A 42 -2.903 -13.553 27.483 1.00 14.44 H new ATOM 0 HA3 GLY A 42 -3.552 -12.642 28.832 1.00 14.44 H new ATOM 655 N ALA A 43 -3.241 -10.258 27.286 1.00 64.11 N ATOM 656 CA ALA A 43 -3.687 -9.169 26.407 1.00 34.23 C ATOM 657 C ALA A 43 -3.084 -9.318 25.002 1.00 63.24 C ATOM 658 O ALA A 43 -3.778 -9.174 23.991 1.00 54.13 O ATOM 659 CB ALA A 43 -3.311 -7.819 27.010 1.00 42.12 C ATOM 0 H ALA A 43 -2.755 -9.946 28.127 1.00 64.11 H new ATOM 0 HA ALA A 43 -4.772 -9.223 26.316 1.00 34.23 H new ATOM 0 HB1 ALA A 43 -3.647 -7.019 26.350 1.00 42.12 H new ATOM 0 HB2 ALA A 43 -3.788 -7.710 27.984 1.00 42.12 H new ATOM 0 HB3 ALA A 43 -2.229 -7.762 27.128 1.00 42.12 H new ATOM 665 N PHE A 44 -1.788 -9.623 24.958 1.00 41.32 N ATOM 666 CA PHE A 44 -1.082 -9.888 23.703 1.00 74.24 C ATOM 667 C PHE A 44 -1.767 -11.017 22.911 1.00 60.23 C ATOM 668 O PHE A 44 -1.966 -10.913 21.699 1.00 73.24 O ATOM 669 CB PHE A 44 0.377 -10.261 24.008 1.00 12.41 C ATOM 670 CG PHE A 44 1.207 -10.550 22.784 1.00 5.42 C ATOM 671 CD1 PHE A 44 1.783 -9.515 22.064 1.00 12.11 C ATOM 672 CD2 PHE A 44 1.406 -11.854 22.351 1.00 71.21 C ATOM 673 CE1 PHE A 44 2.542 -9.774 20.943 1.00 23.15 C ATOM 674 CE2 PHE A 44 2.163 -12.118 21.227 1.00 11.50 C ATOM 675 CZ PHE A 44 2.732 -11.077 20.521 1.00 32.21 C ATOM 0 H PHE A 44 -1.199 -9.694 25.787 1.00 41.32 H new ATOM 0 HA PHE A 44 -1.108 -8.987 23.090 1.00 74.24 H new ATOM 0 HB2 PHE A 44 0.840 -9.446 24.564 1.00 12.41 H new ATOM 0 HB3 PHE A 44 0.389 -11.137 24.657 1.00 12.41 H new ATOM 0 HD1 PHE A 44 1.635 -8.494 22.385 1.00 12.11 H new ATOM 0 HD2 PHE A 44 0.963 -12.672 22.900 1.00 71.21 H new ATOM 0 HE1 PHE A 44 2.989 -8.958 20.394 1.00 23.15 H new ATOM 0 HE2 PHE A 44 2.310 -13.137 20.901 1.00 11.50 H new ATOM 0 HZ PHE A 44 3.324 -11.280 19.641 1.00 32.21 H new ATOM 685 N LEU A 45 -2.125 -12.093 23.613 1.00 73.14 N ATOM 686 CA LEU A 45 -2.806 -13.238 22.997 1.00 0.23 C ATOM 687 C LEU A 45 -4.162 -12.838 22.392 1.00 40.01 C ATOM 688 O LEU A 45 -4.496 -13.248 21.282 1.00 73.24 O ATOM 689 CB LEU A 45 -2.997 -14.353 24.033 1.00 14.32 C ATOM 690 CG LEU A 45 -1.698 -14.968 24.572 1.00 14.35 C ATOM 691 CD1 LEU A 45 -1.990 -15.921 25.725 1.00 61.44 C ATOM 692 CD2 LEU A 45 -0.936 -15.681 23.455 1.00 32.35 C ATOM 0 H LEU A 45 -1.955 -12.198 24.613 1.00 73.14 H new ATOM 0 HA LEU A 45 -2.177 -13.601 22.184 1.00 0.23 H new ATOM 0 HB2 LEU A 45 -3.568 -13.955 24.872 1.00 14.32 H new ATOM 0 HB3 LEU A 45 -3.598 -15.145 23.586 1.00 14.32 H new ATOM 0 HG LEU A 45 -1.069 -14.162 24.951 1.00 14.35 H new ATOM 0 HD11 LEU A 45 -1.055 -16.345 26.092 1.00 61.44 H new ATOM 0 HD12 LEU A 45 -2.482 -15.377 26.531 1.00 61.44 H new ATOM 0 HD13 LEU A 45 -2.641 -16.723 25.378 1.00 61.44 H new ATOM 0 HD21 LEU A 45 -0.018 -16.110 23.857 1.00 32.35 H new ATOM 0 HD22 LEU A 45 -1.557 -16.475 23.041 1.00 32.35 H new ATOM 0 HD23 LEU A 45 -0.689 -14.967 22.670 1.00 32.35 H new ATOM 704 N VAL A 46 -4.933 -12.029 23.121 1.00 31.30 N ATOM 705 CA VAL A 46 -6.230 -11.547 22.624 1.00 43.10 C ATOM 706 C VAL A 46 -6.066 -10.781 21.299 1.00 4.33 C ATOM 707 O VAL A 46 -6.798 -11.012 20.332 1.00 71.14 O ATOM 708 CB VAL A 46 -6.937 -10.629 23.658 1.00 13.44 C ATOM 709 CG1 VAL A 46 -8.283 -10.139 23.124 1.00 5.23 C ATOM 710 CG2 VAL A 46 -7.117 -11.349 24.993 1.00 11.21 C ATOM 0 H VAL A 46 -4.687 -11.694 24.052 1.00 31.30 H new ATOM 0 HA VAL A 46 -6.848 -12.429 22.458 1.00 43.10 H new ATOM 0 HB VAL A 46 -6.301 -9.760 23.823 1.00 13.44 H new ATOM 0 HG11 VAL A 46 -8.758 -9.498 23.867 1.00 5.23 H new ATOM 0 HG12 VAL A 46 -8.126 -9.574 22.205 1.00 5.23 H new ATOM 0 HG13 VAL A 46 -8.926 -10.995 22.919 1.00 5.23 H new ATOM 0 HG21 VAL A 46 -7.614 -10.685 25.700 1.00 11.21 H new ATOM 0 HG22 VAL A 46 -7.724 -12.242 24.846 1.00 11.21 H new ATOM 0 HG23 VAL A 46 -6.142 -11.634 25.387 1.00 11.21 H new ATOM 720 N GLU A 47 -5.091 -9.875 21.262 1.00 53.10 N ATOM 721 CA GLU A 47 -4.797 -9.103 20.050 1.00 32.24 C ATOM 722 C GLU A 47 -4.248 -10.004 18.928 1.00 73.35 C ATOM 723 O GLU A 47 -4.513 -9.780 17.745 1.00 75.43 O ATOM 724 CB GLU A 47 -3.796 -7.983 20.365 1.00 35.45 C ATOM 725 CG GLU A 47 -4.252 -7.028 21.467 1.00 32.21 C ATOM 726 CD GLU A 47 -5.587 -6.363 21.174 1.00 20.33 C ATOM 727 OE1 GLU A 47 -5.741 -5.779 20.082 1.00 32.34 O ATOM 728 OE2 GLU A 47 -6.494 -6.427 22.029 1.00 22.44 O ATOM 0 H GLU A 47 -4.489 -9.655 22.056 1.00 53.10 H new ATOM 0 HA GLU A 47 -5.730 -8.662 19.700 1.00 32.24 H new ATOM 0 HB2 GLU A 47 -2.847 -8.431 20.658 1.00 35.45 H new ATOM 0 HB3 GLU A 47 -3.611 -7.410 19.456 1.00 35.45 H new ATOM 0 HG2 GLU A 47 -4.326 -7.577 22.406 1.00 32.21 H new ATOM 0 HG3 GLU A 47 -3.494 -6.258 21.607 1.00 32.21 H new ATOM 735 N ALA A 48 -3.483 -11.024 19.307 1.00 4.51 N ATOM 736 CA ALA A 48 -2.956 -11.995 18.344 1.00 51.54 C ATOM 737 C ALA A 48 -4.063 -12.928 17.822 1.00 42.30 C ATOM 738 O ALA A 48 -3.959 -13.482 16.724 1.00 64.54 O ATOM 739 CB ALA A 48 -1.835 -12.808 18.980 1.00 62.10 C ATOM 0 H ALA A 48 -3.212 -11.202 20.274 1.00 4.51 H new ATOM 0 HA ALA A 48 -2.559 -11.442 17.493 1.00 51.54 H new ATOM 0 HB1 ALA A 48 -1.451 -13.526 18.256 1.00 62.10 H new ATOM 0 HB2 ALA A 48 -1.032 -12.140 19.290 1.00 62.10 H new ATOM 0 HB3 ALA A 48 -2.220 -13.340 19.850 1.00 62.10 H new ATOM 745 N LEU A 49 -5.115 -13.099 18.620 1.00 62.21 N ATOM 746 CA LEU A 49 -6.256 -13.943 18.247 1.00 13.14 C ATOM 747 C LEU A 49 -7.204 -13.220 17.270 1.00 40.00 C ATOM 748 O LEU A 49 -7.585 -13.775 16.238 1.00 71.03 O ATOM 749 CB LEU A 49 -7.031 -14.369 19.505 1.00 21.13 C ATOM 750 CG LEU A 49 -8.288 -15.224 19.255 1.00 51.23 C ATOM 751 CD1 LEU A 49 -7.928 -16.534 18.553 1.00 41.52 C ATOM 752 CD2 LEU A 49 -9.023 -15.496 20.568 1.00 24.43 C ATOM 0 H LEU A 49 -5.204 -12.662 19.537 1.00 62.21 H new ATOM 0 HA LEU A 49 -5.863 -14.826 17.743 1.00 13.14 H new ATOM 0 HB2 LEU A 49 -6.356 -14.928 20.154 1.00 21.13 H new ATOM 0 HB3 LEU A 49 -7.326 -13.472 20.049 1.00 21.13 H new ATOM 0 HG LEU A 49 -8.954 -14.664 18.599 1.00 51.23 H new ATOM 0 HD11 LEU A 49 -8.833 -17.119 18.388 1.00 41.52 H new ATOM 0 HD12 LEU A 49 -7.457 -16.316 17.594 1.00 41.52 H new ATOM 0 HD13 LEU A 49 -7.237 -17.102 19.175 1.00 41.52 H new ATOM 0 HD21 LEU A 49 -9.908 -16.101 20.371 1.00 24.43 H new ATOM 0 HD22 LEU A 49 -8.362 -16.030 21.251 1.00 24.43 H new ATOM 0 HD23 LEU A 49 -9.323 -14.550 21.020 1.00 24.43 H new ATOM 764 N LYS A 50 -7.565 -11.975 17.597 1.00 13.03 N ATOM 765 CA LYS A 50 -8.547 -11.205 16.809 1.00 63.22 C ATOM 766 C LYS A 50 -8.150 -11.065 15.325 1.00 71.23 C ATOM 767 O LYS A 50 -9.012 -10.913 14.461 1.00 32.03 O ATOM 768 CB LYS A 50 -8.765 -9.814 17.425 1.00 61.34 C ATOM 769 CG LYS A 50 -7.504 -8.961 17.483 1.00 35.42 C ATOM 770 CD LYS A 50 -7.780 -7.566 18.039 1.00 11.22 C ATOM 771 CE LYS A 50 -8.388 -7.615 19.437 1.00 65.13 C ATOM 772 NZ LYS A 50 -8.531 -6.256 20.027 1.00 73.55 N ATOM 0 H LYS A 50 -7.193 -11.473 18.404 1.00 13.03 H new ATOM 0 HA LYS A 50 -9.478 -11.770 16.842 1.00 63.22 H new ATOM 0 HB2 LYS A 50 -9.523 -9.286 16.847 1.00 61.34 H new ATOM 0 HB3 LYS A 50 -9.159 -9.932 18.434 1.00 61.34 H new ATOM 0 HG2 LYS A 50 -6.759 -9.458 18.105 1.00 35.42 H new ATOM 0 HG3 LYS A 50 -7.079 -8.875 16.483 1.00 35.42 H new ATOM 0 HD2 LYS A 50 -6.850 -6.998 18.068 1.00 11.22 H new ATOM 0 HD3 LYS A 50 -8.457 -7.036 17.368 1.00 11.22 H new ATOM 0 HE2 LYS A 50 -9.365 -8.096 19.391 1.00 65.13 H new ATOM 0 HE3 LYS A 50 -7.761 -8.228 20.084 1.00 65.13 H new ATOM 0 HZ1 LYS A 50 -8.786 -6.339 21.032 1.00 73.55 H new ATOM 0 HZ2 LYS A 50 -7.631 -5.743 19.939 1.00 73.55 H new ATOM 0 HZ3 LYS A 50 -9.277 -5.735 19.523 1.00 73.55 H new ATOM 786 N ARG A 51 -6.851 -11.127 15.025 1.00 2.41 N ATOM 787 CA ARG A 51 -6.385 -11.049 13.629 1.00 12.22 C ATOM 788 C ARG A 51 -6.501 -12.408 12.901 1.00 42.23 C ATOM 789 O ARG A 51 -5.842 -12.644 11.887 1.00 75.44 O ATOM 790 CB ARG A 51 -4.943 -10.516 13.559 1.00 22.11 C ATOM 791 CG ARG A 51 -3.952 -11.241 14.463 1.00 43.35 C ATOM 792 CD ARG A 51 -2.511 -10.840 14.153 1.00 2.22 C ATOM 793 NE ARG A 51 -2.317 -9.388 14.154 1.00 35.11 N ATOM 794 CZ ARG A 51 -1.871 -8.706 13.130 1.00 43.33 C ATOM 795 NH1 ARG A 51 -1.594 -9.300 12.012 1.00 13.43 N ATOM 796 NH2 ARG A 51 -1.711 -7.430 13.229 1.00 10.35 N ATOM 0 H ARG A 51 -6.108 -11.230 15.716 1.00 2.41 H new ATOM 0 HA ARG A 51 -7.039 -10.347 13.112 1.00 12.22 H new ATOM 0 HB2 ARG A 51 -4.593 -10.587 12.529 1.00 22.11 H new ATOM 0 HB3 ARG A 51 -4.948 -9.458 13.822 1.00 22.11 H new ATOM 0 HG2 ARG A 51 -4.177 -11.015 15.505 1.00 43.35 H new ATOM 0 HG3 ARG A 51 -4.065 -12.318 14.338 1.00 43.35 H new ATOM 0 HD2 ARG A 51 -1.846 -11.292 14.889 1.00 2.22 H new ATOM 0 HD3 ARG A 51 -2.228 -11.240 13.179 1.00 2.22 H new ATOM 0 HE ARG A 51 -2.544 -8.876 15.007 1.00 35.11 H new ATOM 0 HH11 ARG A 51 -1.723 -10.308 11.924 1.00 13.43 H new ATOM 0 HH12 ARG A 51 -1.247 -8.760 11.220 1.00 13.43 H new ATOM 0 HH21 ARG A 51 -1.932 -6.955 14.104 1.00 10.35 H new ATOM 0 HH22 ARG A 51 -1.363 -6.896 12.432 1.00 10.35 H new ATOM 810 N HIS A 52 -7.341 -13.297 13.429 1.00 1.24 N ATOM 811 CA HIS A 52 -7.708 -14.545 12.743 1.00 25.41 C ATOM 812 C HIS A 52 -9.203 -14.525 12.384 1.00 53.51 C ATOM 813 O HIS A 52 -10.022 -14.075 13.182 1.00 52.31 O ATOM 814 CB HIS A 52 -7.416 -15.764 13.633 1.00 12.23 C ATOM 815 CG HIS A 52 -5.961 -15.988 13.916 1.00 15.25 C ATOM 816 ND1 HIS A 52 -5.145 -16.747 13.106 1.00 2.34 N ATOM 817 CD2 HIS A 52 -5.179 -15.571 14.939 1.00 35.34 C ATOM 818 CE1 HIS A 52 -3.933 -16.790 13.616 1.00 64.13 C ATOM 819 NE2 HIS A 52 -3.921 -16.086 14.729 1.00 52.41 N ATOM 0 H HIS A 52 -7.787 -13.178 14.339 1.00 1.24 H new ATOM 0 HA HIS A 52 -7.111 -14.622 11.834 1.00 25.41 H new ATOM 0 HB2 HIS A 52 -7.944 -15.643 14.579 1.00 12.23 H new ATOM 0 HB3 HIS A 52 -7.822 -16.655 13.153 1.00 12.23 H new ATOM 0 HD1 HIS A 52 -5.436 -17.206 12.243 1.00 2.34 H new ATOM 0 HD2 HIS A 52 -5.486 -14.949 15.767 1.00 35.34 H new ATOM 0 HE1 HIS A 52 -3.089 -17.315 13.193 1.00 64.13 H new ATOM 828 N PRO A 53 -9.592 -15.022 11.194 1.00 0.45 N ATOM 829 CA PRO A 53 -11.012 -15.051 10.784 1.00 35.32 C ATOM 830 C PRO A 53 -11.869 -15.903 11.738 1.00 11.21 C ATOM 831 O PRO A 53 -13.068 -15.674 11.903 1.00 15.10 O ATOM 832 CB PRO A 53 -10.969 -15.674 9.376 1.00 25.24 C ATOM 833 CG PRO A 53 -9.660 -16.394 9.309 1.00 14.20 C ATOM 834 CD PRO A 53 -8.709 -15.599 10.163 1.00 11.42 C ATOM 0 HA PRO A 53 -11.468 -14.061 10.802 1.00 35.32 H new ATOM 0 HB2 PRO A 53 -11.804 -16.358 9.222 1.00 25.24 H new ATOM 0 HB3 PRO A 53 -11.038 -14.908 8.604 1.00 25.24 H new ATOM 0 HG2 PRO A 53 -9.756 -17.415 9.678 1.00 14.20 H new ATOM 0 HG3 PRO A 53 -9.302 -16.459 8.282 1.00 14.20 H new ATOM 0 HD2 PRO A 53 -7.936 -16.230 10.601 1.00 11.42 H new ATOM 0 HD3 PRO A 53 -8.201 -14.825 9.588 1.00 11.42 H new ATOM 842 N ASP A 54 -11.225 -16.880 12.374 1.00 50.35 N ATOM 843 CA ASP A 54 -11.888 -17.774 13.326 1.00 41.03 C ATOM 844 C ASP A 54 -12.193 -17.061 14.661 1.00 64.50 C ATOM 845 O ASP A 54 -13.001 -17.538 15.463 1.00 32.52 O ATOM 846 CB ASP A 54 -10.991 -18.988 13.589 1.00 41.25 C ATOM 847 CG ASP A 54 -10.324 -19.505 12.325 1.00 41.43 C ATOM 848 OD1 ASP A 54 -10.926 -20.339 11.624 1.00 61.14 O ATOM 849 OD2 ASP A 54 -9.188 -19.072 12.028 1.00 44.13 O ATOM 0 H ASP A 54 -10.232 -17.075 12.246 1.00 50.35 H new ATOM 0 HA ASP A 54 -12.836 -18.090 12.890 1.00 41.03 H new ATOM 0 HB2 ASP A 54 -10.225 -18.719 14.316 1.00 41.25 H new ATOM 0 HB3 ASP A 54 -11.586 -19.786 14.034 1.00 41.25 H new ATOM 854 N ALA A 55 -11.548 -15.912 14.882 1.00 5.24 N ATOM 855 CA ALA A 55 -11.643 -15.183 16.155 1.00 51.44 C ATOM 856 C ALA A 55 -13.096 -14.935 16.590 1.00 12.43 C ATOM 857 O ALA A 55 -13.426 -15.080 17.766 1.00 11.25 O ATOM 858 CB ALA A 55 -10.897 -13.861 16.059 1.00 42.43 C ATOM 0 H ALA A 55 -10.949 -15.461 14.190 1.00 5.24 H new ATOM 0 HA ALA A 55 -11.183 -15.813 16.916 1.00 51.44 H new ATOM 0 HB1 ALA A 55 -10.974 -13.330 17.008 1.00 42.43 H new ATOM 0 HB2 ALA A 55 -9.848 -14.051 15.834 1.00 42.43 H new ATOM 0 HB3 ALA A 55 -11.334 -13.253 15.266 1.00 42.43 H new ATOM 864 N THR A 56 -13.960 -14.570 15.640 1.00 54.10 N ATOM 865 CA THR A 56 -15.380 -14.311 15.940 1.00 12.43 C ATOM 866 C THR A 56 -16.009 -15.456 16.753 1.00 50.22 C ATOM 867 O THR A 56 -16.775 -15.221 17.689 1.00 53.54 O ATOM 868 CB THR A 56 -16.214 -14.087 14.652 1.00 20.44 C ATOM 869 OG1 THR A 56 -17.604 -13.929 14.981 1.00 51.52 O ATOM 870 CG2 THR A 56 -16.053 -15.244 13.670 1.00 11.04 C ATOM 0 H THR A 56 -13.708 -14.446 14.659 1.00 54.10 H new ATOM 0 HA THR A 56 -15.400 -13.398 16.535 1.00 12.43 H new ATOM 0 HB THR A 56 -15.843 -13.179 14.176 1.00 20.44 H new ATOM 0 HG1 THR A 56 -18.120 -13.787 14.160 1.00 51.52 H new ATOM 0 HG21 THR A 56 -16.652 -15.052 12.780 1.00 11.04 H new ATOM 0 HG22 THR A 56 -15.004 -15.339 13.388 1.00 11.04 H new ATOM 0 HG23 THR A 56 -16.388 -16.169 14.140 1.00 11.04 H new ATOM 878 N SER A 57 -15.656 -16.694 16.406 1.00 31.30 N ATOM 879 CA SER A 57 -16.165 -17.880 17.115 1.00 54.34 C ATOM 880 C SER A 57 -15.360 -18.166 18.389 1.00 71.22 C ATOM 881 O SER A 57 -15.904 -18.630 19.393 1.00 2.33 O ATOM 882 CB SER A 57 -16.124 -19.115 16.201 1.00 12.41 C ATOM 883 OG SER A 57 -16.445 -20.302 16.915 1.00 22.53 O ATOM 0 H SER A 57 -15.019 -16.907 15.638 1.00 31.30 H new ATOM 0 HA SER A 57 -17.196 -17.668 17.397 1.00 54.34 H new ATOM 0 HB2 SER A 57 -16.826 -18.983 15.378 1.00 12.41 H new ATOM 0 HB3 SER A 57 -15.131 -19.211 15.761 1.00 12.41 H new ATOM 0 HG SER A 57 -16.412 -21.069 16.306 1.00 22.53 H new ATOM 889 N LYS A 58 -14.061 -17.881 18.348 1.00 52.05 N ATOM 890 CA LYS A 58 -13.169 -18.194 19.470 1.00 51.11 C ATOM 891 C LYS A 58 -13.186 -17.105 20.561 1.00 34.35 C ATOM 892 O LYS A 58 -12.578 -17.273 21.619 1.00 33.03 O ATOM 893 CB LYS A 58 -11.740 -18.430 18.965 1.00 21.52 C ATOM 894 CG LYS A 58 -11.659 -19.483 17.861 1.00 22.21 C ATOM 895 CD LYS A 58 -10.227 -19.941 17.598 1.00 22.54 C ATOM 896 CE LYS A 58 -10.153 -20.901 16.413 1.00 41.13 C ATOM 897 NZ LYS A 58 -11.137 -22.015 16.518 1.00 14.42 N ATOM 0 H LYS A 58 -13.600 -17.435 17.555 1.00 52.05 H new ATOM 0 HA LYS A 58 -13.542 -19.108 19.931 1.00 51.11 H new ATOM 0 HB2 LYS A 58 -11.333 -17.490 18.592 1.00 21.52 H new ATOM 0 HB3 LYS A 58 -11.113 -18.740 19.801 1.00 21.52 H new ATOM 0 HG2 LYS A 58 -12.268 -20.344 18.138 1.00 22.21 H new ATOM 0 HG3 LYS A 58 -12.082 -19.076 16.943 1.00 22.21 H new ATOM 0 HD2 LYS A 58 -9.597 -19.073 17.404 1.00 22.54 H new ATOM 0 HD3 LYS A 58 -9.831 -20.430 18.488 1.00 22.54 H new ATOM 0 HE2 LYS A 58 -10.332 -20.349 15.490 1.00 41.13 H new ATOM 0 HE3 LYS A 58 -9.147 -21.315 16.347 1.00 41.13 H new ATOM 0 HZ1 LYS A 58 -10.812 -22.820 15.945 1.00 14.42 H new ATOM 0 HZ2 LYS A 58 -11.223 -22.310 17.512 1.00 14.42 H new ATOM 0 HZ3 LYS A 58 -12.063 -21.694 16.171 1.00 14.42 H new ATOM 911 N ILE A 59 -13.870 -15.994 20.293 1.00 73.03 N ATOM 912 CA ILE A 59 -14.070 -14.933 21.292 1.00 24.33 C ATOM 913 C ILE A 59 -15.540 -14.876 21.745 1.00 40.33 C ATOM 914 O ILE A 59 -15.844 -15.006 22.934 1.00 73.41 O ATOM 915 CB ILE A 59 -13.650 -13.543 20.737 1.00 52.01 C ATOM 916 CG1 ILE A 59 -12.164 -13.551 20.331 1.00 1.43 C ATOM 917 CG2 ILE A 59 -13.924 -12.446 21.767 1.00 51.22 C ATOM 918 CD1 ILE A 59 -11.683 -12.252 19.710 1.00 4.21 C ATOM 0 H ILE A 59 -14.299 -15.800 19.388 1.00 73.03 H new ATOM 0 HA ILE A 59 -13.438 -15.175 22.146 1.00 24.33 H new ATOM 0 HB ILE A 59 -14.246 -13.332 19.849 1.00 52.01 H new ATOM 0 HG12 ILE A 59 -11.559 -13.766 21.212 1.00 1.43 H new ATOM 0 HG13 ILE A 59 -11.996 -14.363 19.624 1.00 1.43 H new ATOM 0 HG21 ILE A 59 -13.623 -11.481 21.359 1.00 51.22 H new ATOM 0 HG22 ILE A 59 -14.988 -12.425 22.002 1.00 51.22 H new ATOM 0 HG23 ILE A 59 -13.356 -12.649 22.675 1.00 51.22 H new ATOM 0 HD11 ILE A 59 -10.627 -12.341 19.453 1.00 4.21 H new ATOM 0 HD12 ILE A 59 -12.260 -12.044 18.809 1.00 4.21 H new ATOM 0 HD13 ILE A 59 -11.816 -11.437 20.422 1.00 4.21 H new ATOM 930 N GLY A 60 -16.447 -14.688 20.783 1.00 21.04 N ATOM 931 CA GLY A 60 -17.876 -14.626 21.083 1.00 43.43 C ATOM 932 C GLY A 60 -18.250 -13.489 22.038 1.00 10.43 C ATOM 933 O GLY A 60 -18.085 -12.313 21.702 1.00 72.50 O ATOM 0 H GLY A 60 -16.217 -14.577 19.795 1.00 21.04 H new ATOM 0 HA2 GLY A 60 -18.430 -14.505 20.152 1.00 43.43 H new ATOM 0 HA3 GLY A 60 -18.189 -15.574 21.519 1.00 43.43 H new ATOM 937 N PRO A 61 -18.768 -13.811 23.244 1.00 51.34 N ATOM 938 CA PRO A 61 -19.160 -12.797 24.239 1.00 63.04 C ATOM 939 C PRO A 61 -17.958 -12.160 24.964 1.00 60.44 C ATOM 940 O PRO A 61 -18.068 -11.067 25.525 1.00 4.24 O ATOM 941 CB PRO A 61 -20.025 -13.600 25.220 1.00 42.23 C ATOM 942 CG PRO A 61 -19.475 -14.985 25.153 1.00 13.24 C ATOM 943 CD PRO A 61 -19.024 -15.186 23.727 1.00 41.00 C ATOM 0 HA PRO A 61 -19.671 -11.951 23.779 1.00 63.04 H new ATOM 0 HB2 PRO A 61 -19.960 -13.195 26.230 1.00 42.23 H new ATOM 0 HB3 PRO A 61 -21.077 -13.576 24.934 1.00 42.23 H new ATOM 0 HG2 PRO A 61 -18.643 -15.108 25.846 1.00 13.24 H new ATOM 0 HG3 PRO A 61 -20.232 -15.719 25.430 1.00 13.24 H new ATOM 0 HD2 PRO A 61 -18.127 -15.803 23.674 1.00 41.00 H new ATOM 0 HD3 PRO A 61 -19.789 -15.684 23.131 1.00 41.00 H new ATOM 951 N GLY A 62 -16.813 -12.844 24.954 1.00 54.35 N ATOM 952 CA GLY A 62 -15.627 -12.329 25.633 1.00 21.24 C ATOM 953 C GLY A 62 -14.658 -13.423 26.078 1.00 30.41 C ATOM 954 O GLY A 62 -14.957 -14.614 25.981 1.00 42.41 O ATOM 0 H GLY A 62 -16.684 -13.743 24.490 1.00 54.35 H new ATOM 0 HA2 GLY A 62 -15.106 -11.642 24.966 1.00 21.24 H new ATOM 0 HA3 GLY A 62 -15.938 -11.753 26.505 1.00 21.24 H new ATOM 958 N VAL A 63 -13.499 -13.012 26.589 1.00 61.21 N ATOM 959 CA VAL A 63 -12.452 -13.950 27.014 1.00 25.40 C ATOM 960 C VAL A 63 -12.225 -13.877 28.534 1.00 1.31 C ATOM 961 O VAL A 63 -11.890 -12.821 29.072 1.00 5.02 O ATOM 962 CB VAL A 63 -11.113 -13.666 26.282 1.00 33.44 C ATOM 963 CG1 VAL A 63 -10.027 -14.653 26.718 1.00 32.23 C ATOM 964 CG2 VAL A 63 -11.309 -13.710 24.765 1.00 73.00 C ATOM 0 H VAL A 63 -13.257 -12.030 26.721 1.00 61.21 H new ATOM 0 HA VAL A 63 -12.794 -14.951 26.753 1.00 25.40 H new ATOM 0 HB VAL A 63 -10.784 -12.664 26.557 1.00 33.44 H new ATOM 0 HG11 VAL A 63 -9.100 -14.431 26.190 1.00 32.23 H new ATOM 0 HG12 VAL A 63 -9.863 -14.563 27.792 1.00 32.23 H new ATOM 0 HG13 VAL A 63 -10.344 -15.669 26.484 1.00 32.23 H new ATOM 0 HG21 VAL A 63 -10.359 -13.509 24.269 1.00 73.00 H new ATOM 0 HG22 VAL A 63 -11.668 -14.697 24.473 1.00 73.00 H new ATOM 0 HG23 VAL A 63 -12.039 -12.956 24.470 1.00 73.00 H new ATOM 974 N ARG A 64 -12.404 -15.005 29.217 1.00 60.24 N ATOM 975 CA ARG A 64 -12.232 -15.071 30.673 1.00 61.33 C ATOM 976 C ARG A 64 -10.736 -15.019 31.038 1.00 11.23 C ATOM 977 O ARG A 64 -10.314 -14.193 31.851 1.00 54.44 O ATOM 978 CB ARG A 64 -12.910 -16.351 31.209 1.00 43.22 C ATOM 979 CG ARG A 64 -13.052 -16.437 32.735 1.00 41.40 C ATOM 980 CD ARG A 64 -11.770 -16.900 33.419 1.00 2.43 C ATOM 981 NE ARG A 64 -11.957 -17.162 34.845 1.00 13.21 N ATOM 982 CZ ARG A 64 -11.158 -17.910 35.559 1.00 20.12 C ATOM 983 NH1 ARG A 64 -10.132 -18.482 35.015 1.00 53.24 N ATOM 984 NH2 ARG A 64 -11.390 -18.097 36.816 1.00 55.41 N ATOM 0 H ARG A 64 -12.669 -15.891 28.787 1.00 60.24 H new ATOM 0 HA ARG A 64 -12.708 -14.210 31.142 1.00 61.33 H new ATOM 0 HB2 ARG A 64 -13.902 -16.428 30.765 1.00 43.22 H new ATOM 0 HB3 ARG A 64 -12.339 -17.214 30.866 1.00 43.22 H new ATOM 0 HG2 ARG A 64 -13.335 -15.459 33.125 1.00 41.40 H new ATOM 0 HG3 ARG A 64 -13.860 -17.125 32.983 1.00 41.40 H new ATOM 0 HD2 ARG A 64 -11.409 -17.805 32.931 1.00 2.43 H new ATOM 0 HD3 ARG A 64 -10.999 -16.140 33.291 1.00 2.43 H new ATOM 0 HE ARG A 64 -12.758 -16.736 35.310 1.00 13.21 H new ATOM 0 HH11 ARG A 64 -9.942 -18.350 34.022 1.00 53.24 H new ATOM 0 HH12 ARG A 64 -9.514 -19.064 35.580 1.00 53.24 H new ATOM 0 HH21 ARG A 64 -12.200 -17.660 37.256 1.00 55.41 H new ATOM 0 HH22 ARG A 64 -10.763 -18.682 37.369 1.00 55.41 H new ATOM 998 N ASN A 65 -9.944 -15.904 30.427 1.00 71.00 N ATOM 999 CA ASN A 65 -8.482 -15.899 30.597 1.00 51.11 C ATOM 1000 C ASN A 65 -7.801 -16.887 29.634 1.00 23.34 C ATOM 1001 O ASN A 65 -8.453 -17.521 28.803 1.00 64.51 O ATOM 1002 CB ASN A 65 -8.083 -16.244 32.045 1.00 40.31 C ATOM 1003 CG ASN A 65 -8.424 -17.673 32.436 1.00 61.32 C ATOM 1004 OD1 ASN A 65 -9.430 -18.226 32.017 1.00 11.15 O ATOM 1005 ND2 ASN A 65 -7.582 -18.288 33.242 1.00 0.10 N ATOM 0 H ASN A 65 -10.289 -16.637 29.807 1.00 71.00 H new ATOM 0 HA ASN A 65 -8.143 -14.889 30.367 1.00 51.11 H new ATOM 0 HB2 ASN A 65 -7.011 -16.087 32.167 1.00 40.31 H new ATOM 0 HB3 ASN A 65 -8.586 -15.558 32.727 1.00 40.31 H new ATOM 0 HD21 ASN A 65 -7.763 -19.249 33.531 1.00 0.10 H new ATOM 0 HD22 ASN A 65 -6.750 -17.803 33.577 1.00 0.10 H new ATOM 1012 N PHE A 66 -6.480 -16.996 29.747 1.00 65.21 N ATOM 1013 CA PHE A 66 -5.710 -17.996 28.999 1.00 54.14 C ATOM 1014 C PHE A 66 -4.967 -18.932 29.961 1.00 3.10 C ATOM 1015 O PHE A 66 -4.487 -18.503 31.014 1.00 40.35 O ATOM 1016 CB PHE A 66 -4.708 -17.318 28.053 1.00 53.22 C ATOM 1017 CG PHE A 66 -5.351 -16.565 26.915 1.00 0.20 C ATOM 1018 CD1 PHE A 66 -5.824 -15.273 27.096 1.00 0.42 C ATOM 1019 CD2 PHE A 66 -5.478 -17.150 25.661 1.00 43.43 C ATOM 1020 CE1 PHE A 66 -6.409 -14.582 26.053 1.00 10.24 C ATOM 1021 CE2 PHE A 66 -6.063 -16.460 24.616 1.00 5.12 C ATOM 1022 CZ PHE A 66 -6.529 -15.175 24.811 1.00 13.11 C ATOM 0 H PHE A 66 -5.914 -16.402 30.353 1.00 65.21 H new ATOM 0 HA PHE A 66 -6.410 -18.582 28.403 1.00 54.14 H new ATOM 0 HB2 PHE A 66 -4.090 -16.628 28.628 1.00 53.22 H new ATOM 0 HB3 PHE A 66 -4.041 -18.076 27.642 1.00 53.22 H new ATOM 0 HD1 PHE A 66 -5.734 -14.802 28.064 1.00 0.42 H new ATOM 0 HD2 PHE A 66 -5.116 -18.155 25.501 1.00 43.43 H new ATOM 0 HE1 PHE A 66 -6.773 -13.577 26.208 1.00 10.24 H new ATOM 0 HE2 PHE A 66 -6.156 -16.926 23.646 1.00 5.12 H new ATOM 0 HZ PHE A 66 -6.986 -14.635 23.995 1.00 13.11 H new ATOM 1032 N GLU A 67 -4.869 -20.207 29.596 1.00 60.13 N ATOM 1033 CA GLU A 67 -4.219 -21.209 30.454 1.00 14.53 C ATOM 1034 C GLU A 67 -3.094 -21.946 29.704 1.00 20.03 C ATOM 1035 O GLU A 67 -3.215 -22.242 28.515 1.00 73.00 O ATOM 1036 CB GLU A 67 -5.272 -22.201 30.974 1.00 2.33 C ATOM 1037 CG GLU A 67 -4.760 -23.151 32.050 1.00 51.03 C ATOM 1038 CD GLU A 67 -5.871 -23.979 32.680 1.00 52.32 C ATOM 1039 OE1 GLU A 67 -6.566 -23.466 33.584 1.00 73.22 O ATOM 1040 OE2 GLU A 67 -6.046 -25.150 32.291 1.00 25.53 O ATOM 0 H GLU A 67 -5.228 -20.576 28.716 1.00 60.13 H new ATOM 0 HA GLU A 67 -3.761 -20.697 31.300 1.00 14.53 H new ATOM 0 HB2 GLU A 67 -6.117 -21.640 31.373 1.00 2.33 H new ATOM 0 HB3 GLU A 67 -5.647 -22.788 30.136 1.00 2.33 H new ATOM 0 HG2 GLU A 67 -4.017 -23.819 31.615 1.00 51.03 H new ATOM 0 HG3 GLU A 67 -4.256 -22.576 32.827 1.00 51.03 H new ATOM 1047 N VAL A 68 -1.998 -22.231 30.405 1.00 35.40 N ATOM 1048 CA VAL A 68 -0.827 -22.875 29.797 1.00 55.22 C ATOM 1049 C VAL A 68 -0.772 -24.376 30.119 1.00 32.42 C ATOM 1050 O VAL A 68 -0.715 -24.771 31.282 1.00 72.31 O ATOM 1051 CB VAL A 68 0.489 -22.211 30.276 1.00 55.22 C ATOM 1052 CG1 VAL A 68 1.704 -22.897 29.652 1.00 44.53 C ATOM 1053 CG2 VAL A 68 0.484 -20.718 29.957 1.00 33.42 C ATOM 0 H VAL A 68 -1.893 -22.026 31.399 1.00 35.40 H new ATOM 0 HA VAL A 68 -0.928 -22.748 28.719 1.00 55.22 H new ATOM 0 HB VAL A 68 0.556 -22.329 31.358 1.00 55.22 H new ATOM 0 HG11 VAL A 68 2.615 -22.413 30.003 1.00 44.53 H new ATOM 0 HG12 VAL A 68 1.717 -23.948 29.941 1.00 44.53 H new ATOM 0 HG13 VAL A 68 1.648 -22.820 28.566 1.00 44.53 H new ATOM 0 HG21 VAL A 68 1.416 -20.269 30.301 1.00 33.42 H new ATOM 0 HG22 VAL A 68 0.389 -20.576 28.880 1.00 33.42 H new ATOM 0 HG23 VAL A 68 -0.356 -20.241 30.462 1.00 33.42 H new ATOM 1063 N ARG A 69 -0.783 -25.208 29.079 1.00 24.33 N ATOM 1064 CA ARG A 69 -0.667 -26.667 29.243 1.00 75.20 C ATOM 1065 C ARG A 69 0.354 -27.252 28.259 1.00 32.51 C ATOM 1066 O ARG A 69 0.747 -26.596 27.290 1.00 33.32 O ATOM 1067 CB ARG A 69 -2.022 -27.357 29.008 1.00 21.22 C ATOM 1068 CG ARG A 69 -3.144 -26.901 29.930 1.00 74.11 C ATOM 1069 CD ARG A 69 -4.431 -27.668 29.647 1.00 40.31 C ATOM 1070 NE ARG A 69 -5.540 -27.197 30.463 1.00 53.55 N ATOM 1071 CZ ARG A 69 -6.722 -27.743 30.481 1.00 32.21 C ATOM 1072 NH1 ARG A 69 -6.985 -28.781 29.753 1.00 13.44 N ATOM 1073 NH2 ARG A 69 -7.640 -27.245 31.237 1.00 70.20 N ATOM 0 H ARG A 69 -0.871 -24.902 28.110 1.00 24.33 H new ATOM 0 HA ARG A 69 -0.335 -26.849 30.265 1.00 75.20 H new ATOM 0 HB2 ARG A 69 -2.327 -27.184 27.976 1.00 21.22 H new ATOM 0 HB3 ARG A 69 -1.890 -28.433 29.125 1.00 21.22 H new ATOM 0 HG2 ARG A 69 -2.849 -27.050 30.969 1.00 74.11 H new ATOM 0 HG3 ARG A 69 -3.317 -25.833 29.798 1.00 74.11 H new ATOM 0 HD2 ARG A 69 -4.689 -27.566 28.593 1.00 40.31 H new ATOM 0 HD3 ARG A 69 -4.269 -28.729 29.835 1.00 40.31 H new ATOM 0 HE ARG A 69 -5.381 -26.386 31.060 1.00 53.55 H new ATOM 0 HH11 ARG A 69 -6.262 -29.181 29.155 1.00 13.44 H new ATOM 0 HH12 ARG A 69 -7.915 -29.198 29.777 1.00 13.44 H new ATOM 0 HH21 ARG A 69 -7.438 -26.429 31.815 1.00 70.20 H new ATOM 0 HH22 ARG A 69 -8.569 -27.667 31.257 1.00 70.20 H new ATOM 1087 N SER A 70 0.776 -28.493 28.503 1.00 44.24 N ATOM 1088 CA SER A 70 1.578 -29.228 27.518 1.00 74.42 C ATOM 1089 C SER A 70 0.653 -29.775 26.429 1.00 54.53 C ATOM 1090 O SER A 70 0.173 -30.907 26.511 1.00 5.51 O ATOM 1091 CB SER A 70 2.365 -30.377 28.168 1.00 63.54 C ATOM 1092 OG SER A 70 3.164 -31.056 27.207 1.00 44.00 O ATOM 0 H SER A 70 0.580 -29.007 29.362 1.00 44.24 H new ATOM 0 HA SER A 70 2.304 -28.541 27.083 1.00 74.42 H new ATOM 0 HB2 SER A 70 3.000 -29.984 28.962 1.00 63.54 H new ATOM 0 HB3 SER A 70 1.673 -31.080 28.632 1.00 63.54 H new ATOM 0 HG SER A 70 3.656 -31.782 27.645 1.00 44.00 H new ATOM 1098 N ALA A 71 0.381 -28.944 25.430 1.00 50.11 N ATOM 1099 CA ALA A 71 -0.626 -29.247 24.411 1.00 3.03 C ATOM 1100 C ALA A 71 -0.312 -30.525 23.627 1.00 45.22 C ATOM 1101 O ALA A 71 -1.005 -31.538 23.766 1.00 54.44 O ATOM 1102 CB ALA A 71 -0.764 -28.065 23.465 1.00 55.20 C ATOM 0 H ALA A 71 0.847 -28.046 25.300 1.00 50.11 H new ATOM 0 HA ALA A 71 -1.570 -29.424 24.927 1.00 3.03 H new ATOM 0 HB1 ALA A 71 -1.514 -28.291 22.707 1.00 55.20 H new ATOM 0 HB2 ALA A 71 -1.071 -27.183 24.027 1.00 55.20 H new ATOM 0 HB3 ALA A 71 0.194 -27.872 22.982 1.00 55.20 H new ATOM 1108 N ASP A 72 0.732 -30.476 22.810 1.00 2.14 N ATOM 1109 CA ASP A 72 1.086 -31.602 21.948 1.00 30.32 C ATOM 1110 C ASP A 72 2.587 -31.619 21.615 1.00 13.53 C ATOM 1111 O ASP A 72 3.275 -30.602 21.743 1.00 12.22 O ATOM 1112 CB ASP A 72 0.242 -31.557 20.665 1.00 52.24 C ATOM 1113 CG ASP A 72 0.379 -30.242 19.905 1.00 0.34 C ATOM 1114 OD1 ASP A 72 -0.090 -29.200 20.410 1.00 65.31 O ATOM 1115 OD2 ASP A 72 0.929 -30.251 18.783 1.00 24.13 O ATOM 0 H ASP A 72 1.350 -29.669 22.724 1.00 2.14 H new ATOM 0 HA ASP A 72 0.870 -32.524 22.488 1.00 30.32 H new ATOM 0 HB2 ASP A 72 0.538 -32.379 20.013 1.00 52.24 H new ATOM 0 HB3 ASP A 72 -0.806 -31.715 20.921 1.00 52.24 H new ATOM 1120 N TYR A 73 3.086 -32.794 21.217 1.00 31.41 N ATOM 1121 CA TYR A 73 4.498 -32.978 20.832 1.00 23.44 C ATOM 1122 C TYR A 73 5.480 -32.567 21.945 1.00 51.21 C ATOM 1123 O TYR A 73 6.648 -32.272 21.677 1.00 0.04 O ATOM 1124 CB TYR A 73 4.802 -32.204 19.539 1.00 40.02 C ATOM 1125 CG TYR A 73 4.050 -32.732 18.331 1.00 22.54 C ATOM 1126 CD1 TYR A 73 4.062 -34.089 18.031 1.00 33.14 C ATOM 1127 CD2 TYR A 73 3.337 -31.883 17.489 1.00 41.13 C ATOM 1128 CE1 TYR A 73 3.391 -34.585 16.934 1.00 70.14 C ATOM 1129 CE2 TYR A 73 2.661 -32.375 16.387 1.00 75.31 C ATOM 1130 CZ TYR A 73 2.692 -33.728 16.115 1.00 60.00 C ATOM 1131 OH TYR A 73 2.025 -34.227 15.016 1.00 73.50 O ATOM 0 H TYR A 73 2.528 -33.645 21.151 1.00 31.41 H new ATOM 0 HA TYR A 73 4.643 -34.045 20.662 1.00 23.44 H new ATOM 0 HB2 TYR A 73 4.549 -31.154 19.685 1.00 40.02 H new ATOM 0 HB3 TYR A 73 5.873 -32.250 19.340 1.00 40.02 H new ATOM 0 HD1 TYR A 73 4.608 -34.768 18.670 1.00 33.14 H new ATOM 0 HD2 TYR A 73 3.311 -30.824 17.699 1.00 41.13 H new ATOM 0 HE1 TYR A 73 3.414 -35.643 16.718 1.00 70.14 H new ATOM 0 HE2 TYR A 73 2.112 -31.704 15.743 1.00 75.31 H new ATOM 0 HH TYR A 73 1.580 -33.493 14.542 1.00 73.50 H new ATOM 1141 N GLY A 74 5.014 -32.579 23.191 1.00 52.13 N ATOM 1142 CA GLY A 74 5.863 -32.195 24.316 1.00 32.44 C ATOM 1143 C GLY A 74 6.179 -30.703 24.343 1.00 20.32 C ATOM 1144 O GLY A 74 7.176 -30.282 24.929 1.00 2.23 O ATOM 0 H GLY A 74 4.064 -32.847 23.446 1.00 52.13 H new ATOM 0 HA2 GLY A 74 5.370 -32.473 25.247 1.00 32.44 H new ATOM 0 HA3 GLY A 74 6.796 -32.757 24.269 1.00 32.44 H new ATOM 1148 N THR A 75 5.335 -29.905 23.696 1.00 70.01 N ATOM 1149 CA THR A 75 5.514 -28.447 23.658 1.00 23.53 C ATOM 1150 C THR A 75 4.307 -27.718 24.262 1.00 63.41 C ATOM 1151 O THR A 75 3.155 -28.065 23.992 1.00 22.20 O ATOM 1152 CB THR A 75 5.747 -27.924 22.214 1.00 53.55 C ATOM 1153 OG1 THR A 75 4.607 -28.198 21.379 1.00 21.03 O ATOM 1154 CG2 THR A 75 6.990 -28.558 21.594 1.00 63.04 C ATOM 0 H THR A 75 4.516 -30.239 23.188 1.00 70.01 H new ATOM 0 HA THR A 75 6.402 -28.236 24.255 1.00 23.53 H new ATOM 0 HB THR A 75 5.893 -26.846 22.279 1.00 53.55 H new ATOM 0 HG1 THR A 75 4.254 -29.088 21.588 1.00 21.03 H new ATOM 0 HG21 THR A 75 7.129 -28.174 20.583 1.00 63.04 H new ATOM 0 HG22 THR A 75 7.863 -28.313 22.198 1.00 63.04 H new ATOM 0 HG23 THR A 75 6.866 -29.640 21.557 1.00 63.04 H new ATOM 1162 N GLN A 76 4.584 -26.715 25.091 1.00 52.42 N ATOM 1163 CA GLN A 76 3.537 -25.895 25.708 1.00 13.33 C ATOM 1164 C GLN A 76 2.759 -25.086 24.656 1.00 14.21 C ATOM 1165 O GLN A 76 3.289 -24.752 23.597 1.00 24.40 O ATOM 1166 CB GLN A 76 4.168 -24.935 26.731 1.00 63.42 C ATOM 1167 CG GLN A 76 4.745 -25.618 27.968 1.00 55.22 C ATOM 1168 CD GLN A 76 5.620 -24.684 28.795 1.00 4.31 C ATOM 1169 OE1 GLN A 76 6.832 -24.635 28.625 1.00 32.20 O ATOM 1170 NE2 GLN A 76 5.014 -23.911 29.671 1.00 53.22 N ATOM 0 H GLN A 76 5.532 -26.446 25.355 1.00 52.42 H new ATOM 0 HA GLN A 76 2.836 -26.564 26.206 1.00 13.33 H new ATOM 0 HB2 GLN A 76 4.961 -24.371 26.240 1.00 63.42 H new ATOM 0 HB3 GLN A 76 3.414 -24.215 27.048 1.00 63.42 H new ATOM 0 HG2 GLN A 76 3.929 -25.990 28.588 1.00 55.22 H new ATOM 0 HG3 GLN A 76 5.332 -26.484 27.661 1.00 55.22 H new ATOM 0 HE21 GLN A 76 4.003 -23.973 29.792 1.00 53.22 H new ATOM 0 HE22 GLN A 76 5.555 -23.250 30.229 1.00 53.22 H new ATOM 1179 N CYS A 77 1.501 -24.779 24.958 1.00 33.04 N ATOM 1180 CA CYS A 77 0.675 -23.909 24.104 1.00 23.15 C ATOM 1181 C CYS A 77 -0.394 -23.190 24.931 1.00 34.13 C ATOM 1182 O CYS A 77 -0.711 -23.604 26.049 1.00 52.43 O ATOM 1183 CB CYS A 77 0.005 -24.700 22.970 1.00 13.14 C ATOM 1184 SG CYS A 77 1.150 -25.332 21.720 1.00 1.20 S ATOM 0 H CYS A 77 1.022 -25.119 25.792 1.00 33.04 H new ATOM 0 HA CYS A 77 1.342 -23.170 23.660 1.00 23.15 H new ATOM 0 HB2 CYS A 77 -0.541 -25.539 23.402 1.00 13.14 H new ATOM 0 HB3 CYS A 77 -0.729 -24.059 22.482 1.00 13.14 H new ATOM 0 HG CYS A 77 2.369 -25.239 22.162 1.00 1.20 H new ATOM 1190 N PHE A 78 -0.949 -22.118 24.372 1.00 60.11 N ATOM 1191 CA PHE A 78 -1.951 -21.307 25.071 1.00 23.22 C ATOM 1192 C PHE A 78 -3.382 -21.802 24.793 1.00 13.20 C ATOM 1193 O PHE A 78 -3.762 -22.042 23.643 1.00 14.12 O ATOM 1194 CB PHE A 78 -1.822 -19.834 24.656 1.00 44.13 C ATOM 1195 CG PHE A 78 -0.479 -19.218 24.973 1.00 43.21 C ATOM 1196 CD1 PHE A 78 -0.183 -18.792 26.260 1.00 34.21 C ATOM 1197 CD2 PHE A 78 0.480 -19.051 23.981 1.00 41.11 C ATOM 1198 CE1 PHE A 78 1.039 -18.215 26.552 1.00 31.34 C ATOM 1199 CE2 PHE A 78 1.703 -18.474 24.270 1.00 65.22 C ATOM 1200 CZ PHE A 78 1.982 -18.054 25.557 1.00 22.30 C ATOM 0 H PHE A 78 -0.723 -21.787 23.434 1.00 60.11 H new ATOM 0 HA PHE A 78 -1.764 -21.404 26.140 1.00 23.22 H new ATOM 0 HB2 PHE A 78 -2.003 -19.753 23.584 1.00 44.13 H new ATOM 0 HB3 PHE A 78 -2.601 -19.258 25.155 1.00 44.13 H new ATOM 0 HD1 PHE A 78 -0.916 -18.913 27.043 1.00 34.21 H new ATOM 0 HD2 PHE A 78 0.268 -19.376 22.973 1.00 41.11 H new ATOM 0 HE1 PHE A 78 1.256 -17.890 27.559 1.00 31.34 H new ATOM 0 HE2 PHE A 78 2.440 -18.352 23.490 1.00 65.22 H new ATOM 0 HZ PHE A 78 2.936 -17.601 25.784 1.00 22.30 H new ATOM 1210 N TRP A 79 -4.162 -21.963 25.859 1.00 25.11 N ATOM 1211 CA TRP A 79 -5.579 -22.342 25.755 1.00 31.10 C ATOM 1212 C TRP A 79 -6.489 -21.119 25.956 1.00 3.43 C ATOM 1213 O TRP A 79 -6.319 -20.359 26.912 1.00 24.14 O ATOM 1214 CB TRP A 79 -5.919 -23.421 26.796 1.00 51.32 C ATOM 1215 CG TRP A 79 -5.274 -24.748 26.518 1.00 70.21 C ATOM 1216 CD1 TRP A 79 -3.942 -25.050 26.584 1.00 44.24 C ATOM 1217 CD2 TRP A 79 -5.940 -25.958 26.135 1.00 31.03 C ATOM 1218 NE1 TRP A 79 -3.742 -26.369 26.256 1.00 20.22 N ATOM 1219 CE2 TRP A 79 -4.953 -26.948 25.982 1.00 62.55 C ATOM 1220 CE3 TRP A 79 -7.277 -26.297 25.906 1.00 41.23 C ATOM 1221 CZ2 TRP A 79 -5.261 -28.254 25.613 1.00 32.34 C ATOM 1222 CZ3 TRP A 79 -7.582 -27.595 25.542 1.00 1.03 C ATOM 1223 CH2 TRP A 79 -6.577 -28.560 25.397 1.00 50.01 C ATOM 0 H TRP A 79 -3.837 -21.836 26.817 1.00 25.11 H new ATOM 0 HA TRP A 79 -5.750 -22.742 24.755 1.00 31.10 H new ATOM 0 HB2 TRP A 79 -5.608 -23.074 27.781 1.00 51.32 H new ATOM 0 HB3 TRP A 79 -7.000 -23.552 26.831 1.00 51.32 H new ATOM 0 HD1 TRP A 79 -3.162 -24.354 26.854 1.00 44.24 H new ATOM 0 HE1 TRP A 79 -2.838 -26.841 26.222 1.00 20.22 H new ATOM 0 HE3 TRP A 79 -8.057 -25.558 26.012 1.00 41.23 H new ATOM 0 HZ2 TRP A 79 -4.488 -29.000 25.501 1.00 32.34 H new ATOM 0 HZ3 TRP A 79 -8.612 -27.870 25.367 1.00 1.03 H new ATOM 0 HH2 TRP A 79 -6.846 -29.565 25.109 1.00 50.01 H new ATOM 1234 N ILE A 80 -7.451 -20.932 25.053 1.00 74.32 N ATOM 1235 CA ILE A 80 -8.378 -19.797 25.131 1.00 21.13 C ATOM 1236 C ILE A 80 -9.618 -20.140 25.976 1.00 70.20 C ATOM 1237 O ILE A 80 -10.475 -20.914 25.546 1.00 65.42 O ATOM 1238 CB ILE A 80 -8.852 -19.361 23.720 1.00 54.02 C ATOM 1239 CG1 ILE A 80 -7.658 -19.222 22.762 1.00 71.53 C ATOM 1240 CG2 ILE A 80 -9.629 -18.045 23.801 1.00 75.33 C ATOM 1241 CD1 ILE A 80 -8.056 -18.945 21.324 1.00 41.20 C ATOM 0 H ILE A 80 -7.611 -21.550 24.258 1.00 74.32 H new ATOM 0 HA ILE A 80 -7.831 -18.981 25.603 1.00 21.13 H new ATOM 0 HB ILE A 80 -9.515 -20.133 23.329 1.00 54.02 H new ATOM 0 HG12 ILE A 80 -7.014 -18.415 23.113 1.00 71.53 H new ATOM 0 HG13 ILE A 80 -7.068 -20.138 22.796 1.00 71.53 H new ATOM 0 HG21 ILE A 80 -9.955 -17.753 22.803 1.00 75.33 H new ATOM 0 HG22 ILE A 80 -10.500 -18.176 24.443 1.00 75.33 H new ATOM 0 HG23 ILE A 80 -8.986 -17.268 24.215 1.00 75.33 H new ATOM 0 HD11 ILE A 80 -7.160 -18.860 20.709 1.00 41.20 H new ATOM 0 HD12 ILE A 80 -8.674 -19.763 20.954 1.00 41.20 H new ATOM 0 HD13 ILE A 80 -8.620 -18.013 21.275 1.00 41.20 H new ATOM 1253 N LEU A 81 -9.703 -19.569 27.177 1.00 45.42 N ATOM 1254 CA LEU A 81 -10.883 -19.740 28.037 1.00 54.14 C ATOM 1255 C LEU A 81 -11.843 -18.553 27.873 1.00 42.35 C ATOM 1256 O LEU A 81 -11.566 -17.448 28.344 1.00 12.25 O ATOM 1257 CB LEU A 81 -10.482 -19.873 29.521 1.00 63.44 C ATOM 1258 CG LEU A 81 -9.711 -21.148 29.916 1.00 31.34 C ATOM 1259 CD1 LEU A 81 -10.488 -22.399 29.520 1.00 43.42 C ATOM 1260 CD2 LEU A 81 -8.310 -21.159 29.308 1.00 51.23 C ATOM 0 H LEU A 81 -8.971 -18.984 27.580 1.00 45.42 H new ATOM 0 HA LEU A 81 -11.383 -20.658 27.728 1.00 54.14 H new ATOM 0 HB2 LEU A 81 -9.872 -19.010 29.788 1.00 63.44 H new ATOM 0 HB3 LEU A 81 -11.388 -19.822 30.125 1.00 63.44 H new ATOM 0 HG LEU A 81 -9.601 -21.148 31.000 1.00 31.34 H new ATOM 0 HD11 LEU A 81 -9.923 -23.285 29.809 1.00 43.42 H new ATOM 0 HD12 LEU A 81 -11.453 -22.403 30.026 1.00 43.42 H new ATOM 0 HD13 LEU A 81 -10.644 -22.404 28.441 1.00 43.42 H new ATOM 0 HD21 LEU A 81 -7.792 -22.071 29.605 1.00 51.23 H new ATOM 0 HD22 LEU A 81 -8.385 -21.122 28.221 1.00 51.23 H new ATOM 0 HD23 LEU A 81 -7.752 -20.292 29.663 1.00 51.23 H new ATOM 1272 N ARG A 82 -12.969 -18.778 27.200 1.00 53.31 N ATOM 1273 CA ARG A 82 -13.949 -17.707 26.964 1.00 65.55 C ATOM 1274 C ARG A 82 -14.889 -17.531 28.159 1.00 23.33 C ATOM 1275 O ARG A 82 -15.074 -18.451 28.953 1.00 62.13 O ATOM 1276 CB ARG A 82 -14.775 -17.979 25.696 1.00 32.40 C ATOM 1277 CG ARG A 82 -13.984 -17.824 24.402 1.00 0.40 C ATOM 1278 CD ARG A 82 -13.006 -18.972 24.173 1.00 62.45 C ATOM 1279 NE ARG A 82 -13.690 -20.212 23.804 1.00 52.21 N ATOM 1280 CZ ARG A 82 -13.610 -20.757 22.620 1.00 34.04 C ATOM 1281 NH1 ARG A 82 -12.896 -20.203 21.697 1.00 3.12 N ATOM 1282 NH2 ARG A 82 -14.242 -21.854 22.351 1.00 52.31 N ATOM 0 H ARG A 82 -13.229 -19.683 26.809 1.00 53.31 H new ATOM 0 HA ARG A 82 -13.383 -16.785 26.828 1.00 65.55 H new ATOM 0 HB2 ARG A 82 -15.178 -18.991 25.746 1.00 32.40 H new ATOM 0 HB3 ARG A 82 -15.626 -17.298 25.675 1.00 32.40 H new ATOM 0 HG2 ARG A 82 -14.676 -17.768 23.562 1.00 0.40 H new ATOM 0 HG3 ARG A 82 -13.435 -16.883 24.426 1.00 0.40 H new ATOM 0 HD2 ARG A 82 -12.304 -18.698 23.386 1.00 62.45 H new ATOM 0 HD3 ARG A 82 -12.422 -19.136 25.078 1.00 62.45 H new ATOM 0 HE ARG A 82 -14.261 -20.676 24.511 1.00 52.21 H new ATOM 0 HH11 ARG A 82 -12.393 -19.337 21.892 1.00 3.12 H new ATOM 0 HH12 ARG A 82 -12.835 -20.631 20.773 1.00 3.12 H new ATOM 0 HH21 ARG A 82 -14.811 -22.304 23.068 1.00 52.31 H new ATOM 0 HH22 ARG A 82 -14.171 -22.269 21.422 1.00 52.31 H new ATOM 1296 N THR A 83 -15.489 -16.345 28.273 1.00 5.13 N ATOM 1297 CA THR A 83 -16.480 -16.071 29.328 1.00 1.40 C ATOM 1298 C THR A 83 -17.669 -17.033 29.220 1.00 4.34 C ATOM 1299 O THR A 83 -18.326 -17.353 30.210 1.00 73.15 O ATOM 1300 CB THR A 83 -17.009 -14.622 29.244 1.00 51.14 C ATOM 1301 OG1 THR A 83 -17.588 -14.388 27.952 1.00 75.34 O ATOM 1302 CG2 THR A 83 -15.890 -13.616 29.491 1.00 15.11 C ATOM 0 H THR A 83 -15.310 -15.557 27.651 1.00 5.13 H new ATOM 0 HA THR A 83 -15.974 -16.212 30.283 1.00 1.40 H new ATOM 0 HB THR A 83 -17.768 -14.492 30.016 1.00 51.14 H new ATOM 0 HG1 THR A 83 -16.883 -14.398 27.271 1.00 75.34 H new ATOM 0 HG21 THR A 83 -16.290 -12.604 29.426 1.00 15.11 H new ATOM 0 HG22 THR A 83 -15.469 -13.777 30.483 1.00 15.11 H new ATOM 0 HG23 THR A 83 -15.111 -13.747 28.740 1.00 15.11 H new ATOM 1310 N ASP A 84 -17.936 -17.480 27.996 1.00 51.14 N ATOM 1311 CA ASP A 84 -18.959 -18.494 27.727 1.00 12.32 C ATOM 1312 C ASP A 84 -18.670 -19.808 28.485 1.00 43.34 C ATOM 1313 O ASP A 84 -19.585 -20.570 28.806 1.00 32.21 O ATOM 1314 CB ASP A 84 -19.018 -18.747 26.212 1.00 33.42 C ATOM 1315 CG ASP A 84 -19.995 -19.843 25.836 1.00 31.22 C ATOM 1316 OD1 ASP A 84 -21.216 -19.576 25.819 1.00 73.32 O ATOM 1317 OD2 ASP A 84 -19.549 -20.976 25.563 1.00 71.42 O ATOM 0 H ASP A 84 -17.451 -17.152 27.161 1.00 51.14 H new ATOM 0 HA ASP A 84 -19.922 -18.126 28.081 1.00 12.32 H new ATOM 0 HB2 ASP A 84 -19.302 -17.825 25.705 1.00 33.42 H new ATOM 0 HB3 ASP A 84 -18.024 -19.015 25.854 1.00 33.42 H new ATOM 1322 N GLY A 85 -17.394 -20.052 28.782 1.00 34.34 N ATOM 1323 CA GLY A 85 -16.985 -21.289 29.444 1.00 75.22 C ATOM 1324 C GLY A 85 -16.233 -22.230 28.509 1.00 25.50 C ATOM 1325 O GLY A 85 -15.345 -22.970 28.937 1.00 21.24 O ATOM 0 H GLY A 85 -16.628 -19.411 28.575 1.00 34.34 H new ATOM 0 HA2 GLY A 85 -16.352 -21.048 30.298 1.00 75.22 H new ATOM 0 HA3 GLY A 85 -17.867 -21.797 29.834 1.00 75.22 H new ATOM 1329 N SER A 86 -16.601 -22.199 27.229 1.00 70.54 N ATOM 1330 CA SER A 86 -15.940 -23.011 26.194 1.00 42.31 C ATOM 1331 C SER A 86 -14.439 -22.699 26.081 1.00 51.31 C ATOM 1332 O SER A 86 -14.022 -21.541 26.192 1.00 53.00 O ATOM 1333 CB SER A 86 -16.611 -22.775 24.834 1.00 15.35 C ATOM 1334 OG SER A 86 -15.883 -23.393 23.784 1.00 4.04 O ATOM 0 H SER A 86 -17.360 -21.616 26.876 1.00 70.54 H new ATOM 0 HA SER A 86 -16.044 -24.055 26.489 1.00 42.31 H new ATOM 0 HB2 SER A 86 -17.627 -23.168 24.855 1.00 15.35 H new ATOM 0 HB3 SER A 86 -16.687 -21.704 24.645 1.00 15.35 H new ATOM 0 HG SER A 86 -16.412 -23.366 22.959 1.00 4.04 H new ATOM 1340 N GLU A 87 -13.638 -23.737 25.838 1.00 50.25 N ATOM 1341 CA GLU A 87 -12.184 -23.591 25.665 1.00 72.42 C ATOM 1342 C GLU A 87 -11.741 -23.954 24.241 1.00 0.31 C ATOM 1343 O GLU A 87 -12.440 -24.676 23.532 1.00 20.42 O ATOM 1344 CB GLU A 87 -11.419 -24.454 26.694 1.00 33.21 C ATOM 1345 CG GLU A 87 -11.955 -25.881 26.893 1.00 3.52 C ATOM 1346 CD GLU A 87 -11.948 -26.742 25.631 1.00 61.05 C ATOM 1347 OE1 GLU A 87 -10.853 -27.048 25.108 1.00 15.44 O ATOM 1348 OE2 GLU A 87 -13.046 -27.120 25.157 1.00 63.14 O ATOM 0 H GLU A 87 -13.971 -24.698 25.755 1.00 50.25 H new ATOM 0 HA GLU A 87 -11.944 -22.541 25.835 1.00 72.42 H new ATOM 0 HB2 GLU A 87 -10.376 -24.517 26.385 1.00 33.21 H new ATOM 0 HB3 GLU A 87 -11.436 -23.941 27.656 1.00 33.21 H new ATOM 0 HG2 GLU A 87 -11.358 -26.376 27.659 1.00 3.52 H new ATOM 0 HG3 GLU A 87 -12.975 -25.823 27.272 1.00 3.52 H new ATOM 1355 N GLU A 88 -10.584 -23.435 23.827 1.00 44.43 N ATOM 1356 CA GLU A 88 -9.971 -23.816 22.545 1.00 43.45 C ATOM 1357 C GLU A 88 -8.448 -23.614 22.547 1.00 1.43 C ATOM 1358 O GLU A 88 -7.954 -22.495 22.678 1.00 3.32 O ATOM 1359 CB GLU A 88 -10.585 -23.037 21.364 1.00 65.35 C ATOM 1360 CG GLU A 88 -11.927 -23.585 20.885 1.00 54.42 C ATOM 1361 CD GLU A 88 -12.398 -22.945 19.593 1.00 54.34 C ATOM 1362 OE1 GLU A 88 -12.013 -23.434 18.513 1.00 73.22 O ATOM 1363 OE2 GLU A 88 -13.149 -21.951 19.651 1.00 62.44 O ATOM 0 H GLU A 88 -10.049 -22.749 24.359 1.00 44.43 H new ATOM 0 HA GLU A 88 -10.180 -24.878 22.418 1.00 43.45 H new ATOM 0 HB2 GLU A 88 -10.714 -21.995 21.658 1.00 65.35 H new ATOM 0 HB3 GLU A 88 -9.882 -23.048 20.531 1.00 65.35 H new ATOM 0 HG2 GLU A 88 -11.844 -24.662 20.742 1.00 54.42 H new ATOM 0 HG3 GLU A 88 -12.677 -23.423 21.659 1.00 54.42 H new ATOM 1370 N ARG A 89 -7.714 -24.716 22.419 1.00 42.10 N ATOM 1371 CA ARG A 89 -6.272 -24.669 22.153 1.00 15.24 C ATOM 1372 C ARG A 89 -6.012 -24.129 20.738 1.00 34.22 C ATOM 1373 O ARG A 89 -6.554 -24.660 19.766 1.00 45.14 O ATOM 1374 CB ARG A 89 -5.669 -26.080 22.274 1.00 2.24 C ATOM 1375 CG ARG A 89 -4.195 -26.166 21.871 1.00 30.13 C ATOM 1376 CD ARG A 89 -3.724 -27.613 21.737 1.00 41.35 C ATOM 1377 NE ARG A 89 -4.512 -28.359 20.755 1.00 51.33 N ATOM 1378 CZ ARG A 89 -4.011 -29.023 19.741 1.00 42.23 C ATOM 1379 NH1 ARG A 89 -2.732 -29.085 19.540 1.00 31.13 N ATOM 1380 NH2 ARG A 89 -4.804 -29.646 18.931 1.00 72.13 N ATOM 0 H ARG A 89 -8.093 -25.660 22.495 1.00 42.10 H new ATOM 0 HA ARG A 89 -5.805 -24.008 22.884 1.00 15.24 H new ATOM 0 HB2 ARG A 89 -5.774 -26.421 23.304 1.00 2.24 H new ATOM 0 HB3 ARG A 89 -6.245 -26.764 21.652 1.00 2.24 H new ATOM 0 HG2 ARG A 89 -4.047 -25.647 20.924 1.00 30.13 H new ATOM 0 HG3 ARG A 89 -3.585 -25.653 22.615 1.00 30.13 H new ATOM 0 HD2 ARG A 89 -2.674 -27.627 21.445 1.00 41.35 H new ATOM 0 HD3 ARG A 89 -3.791 -28.107 22.706 1.00 41.35 H new ATOM 0 HE ARG A 89 -5.526 -28.363 20.868 1.00 51.33 H new ATOM 0 HH11 ARG A 89 -2.092 -28.611 20.177 1.00 31.13 H new ATOM 0 HH12 ARG A 89 -2.366 -29.608 18.744 1.00 31.13 H new ATOM 0 HH21 ARG A 89 -5.812 -29.619 19.083 1.00 72.13 H new ATOM 0 HH22 ARG A 89 -4.421 -30.164 18.140 1.00 72.13 H new ATOM 1394 N PHE A 90 -5.195 -23.083 20.617 1.00 14.32 N ATOM 1395 CA PHE A 90 -4.843 -22.546 19.297 1.00 55.11 C ATOM 1396 C PHE A 90 -3.326 -22.611 19.060 1.00 41.35 C ATOM 1397 O PHE A 90 -2.527 -22.120 19.862 1.00 75.53 O ATOM 1398 CB PHE A 90 -5.370 -21.107 19.121 1.00 12.12 C ATOM 1399 CG PHE A 90 -4.568 -20.030 19.818 1.00 15.15 C ATOM 1400 CD1 PHE A 90 -4.584 -19.906 21.201 1.00 50.40 C ATOM 1401 CD2 PHE A 90 -3.814 -19.125 19.080 1.00 73.01 C ATOM 1402 CE1 PHE A 90 -3.862 -18.908 21.829 1.00 12.25 C ATOM 1403 CE2 PHE A 90 -3.090 -18.129 19.705 1.00 3.30 C ATOM 1404 CZ PHE A 90 -3.116 -18.019 21.079 1.00 74.24 C ATOM 0 H PHE A 90 -4.768 -22.594 21.404 1.00 14.32 H new ATOM 0 HA PHE A 90 -5.326 -23.171 18.546 1.00 55.11 H new ATOM 0 HB2 PHE A 90 -5.403 -20.879 18.056 1.00 12.12 H new ATOM 0 HB3 PHE A 90 -6.396 -21.067 19.488 1.00 12.12 H new ATOM 0 HD1 PHE A 90 -5.167 -20.597 21.792 1.00 50.40 H new ATOM 0 HD2 PHE A 90 -3.794 -19.202 18.003 1.00 73.01 H new ATOM 0 HE1 PHE A 90 -3.881 -18.823 22.906 1.00 12.25 H new ATOM 0 HE2 PHE A 90 -2.504 -17.437 19.118 1.00 3.30 H new ATOM 0 HZ PHE A 90 -2.553 -17.238 21.569 1.00 74.24 H new ATOM 1414 N SER A 91 -2.935 -23.243 17.960 1.00 45.12 N ATOM 1415 CA SER A 91 -1.521 -23.376 17.608 1.00 32.11 C ATOM 1416 C SER A 91 -0.929 -22.046 17.131 1.00 12.21 C ATOM 1417 O SER A 91 -0.943 -21.741 15.936 1.00 23.21 O ATOM 1418 CB SER A 91 -1.329 -24.450 16.526 1.00 12.33 C ATOM 1419 OG SER A 91 -1.732 -25.727 16.991 1.00 24.22 O ATOM 0 H SER A 91 -3.576 -23.673 17.293 1.00 45.12 H new ATOM 0 HA SER A 91 -0.991 -23.679 18.511 1.00 32.11 H new ATOM 0 HB2 SER A 91 -1.906 -24.184 15.640 1.00 12.33 H new ATOM 0 HB3 SER A 91 -0.282 -24.484 16.226 1.00 12.33 H new ATOM 0 HG SER A 91 -1.600 -26.390 16.281 1.00 24.22 H new ATOM 1425 N TYR A 92 -0.422 -21.245 18.070 1.00 4.24 N ATOM 1426 CA TYR A 92 0.275 -19.997 17.725 1.00 11.04 C ATOM 1427 C TYR A 92 1.441 -20.284 16.760 1.00 71.20 C ATOM 1428 O TYR A 92 1.773 -19.474 15.893 1.00 35.14 O ATOM 1429 CB TYR A 92 0.790 -19.296 18.996 1.00 22.25 C ATOM 1430 CG TYR A 92 1.944 -20.013 19.681 1.00 73.44 C ATOM 1431 CD1 TYR A 92 1.719 -21.071 20.557 1.00 72.25 C ATOM 1432 CD2 TYR A 92 3.262 -19.631 19.440 1.00 23.34 C ATOM 1433 CE1 TYR A 92 2.773 -21.727 21.169 1.00 72.51 C ATOM 1434 CE2 TYR A 92 4.317 -20.280 20.050 1.00 41.22 C ATOM 1435 CZ TYR A 92 4.070 -21.327 20.913 1.00 53.41 C ATOM 1436 OH TYR A 92 5.124 -21.979 21.515 1.00 53.21 O ATOM 0 H TYR A 92 -0.479 -21.434 19.071 1.00 4.24 H new ATOM 0 HA TYR A 92 -0.432 -19.333 17.228 1.00 11.04 H new ATOM 0 HB2 TYR A 92 1.107 -18.286 18.737 1.00 22.25 H new ATOM 0 HB3 TYR A 92 -0.034 -19.200 19.703 1.00 22.25 H new ATOM 0 HD1 TYR A 92 0.706 -21.385 20.762 1.00 72.25 H new ATOM 0 HD2 TYR A 92 3.462 -18.813 18.764 1.00 23.34 H new ATOM 0 HE1 TYR A 92 2.582 -22.548 21.844 1.00 72.51 H new ATOM 0 HE2 TYR A 92 5.332 -19.969 19.852 1.00 41.22 H new ATOM 0 HH TYR A 92 5.968 -21.573 21.226 1.00 53.21 H new ATOM 1446 N LYS A 93 2.034 -21.468 16.919 1.00 54.14 N ATOM 1447 CA LYS A 93 3.128 -21.943 16.060 1.00 31.52 C ATOM 1448 C LYS A 93 2.718 -22.020 14.576 1.00 14.21 C ATOM 1449 O LYS A 93 3.572 -22.031 13.690 1.00 55.34 O ATOM 1450 CB LYS A 93 3.597 -23.322 16.551 1.00 32.23 C ATOM 1451 CG LYS A 93 2.450 -24.319 16.751 1.00 54.42 C ATOM 1452 CD LYS A 93 2.929 -25.668 17.298 1.00 34.12 C ATOM 1453 CE LYS A 93 1.756 -26.585 17.662 1.00 41.40 C ATOM 1454 NZ LYS A 93 2.205 -27.939 18.087 1.00 73.41 N ATOM 0 H LYS A 93 1.770 -22.130 17.649 1.00 54.14 H new ATOM 0 HA LYS A 93 3.943 -21.222 16.128 1.00 31.52 H new ATOM 0 HB2 LYS A 93 4.305 -23.734 15.832 1.00 32.23 H new ATOM 0 HB3 LYS A 93 4.132 -23.201 17.493 1.00 32.23 H new ATOM 0 HG2 LYS A 93 1.718 -23.892 17.437 1.00 54.42 H new ATOM 0 HG3 LYS A 93 1.941 -24.477 15.800 1.00 54.42 H new ATOM 0 HD2 LYS A 93 3.557 -26.159 16.555 1.00 34.12 H new ATOM 0 HD3 LYS A 93 3.548 -25.503 18.180 1.00 34.12 H new ATOM 0 HE2 LYS A 93 1.177 -26.129 18.465 1.00 41.40 H new ATOM 0 HE3 LYS A 93 1.091 -26.679 16.803 1.00 41.40 H new ATOM 0 HZ1 LYS A 93 1.375 -28.542 18.257 1.00 73.41 H new ATOM 0 HZ2 LYS A 93 2.792 -28.361 17.339 1.00 73.41 H new ATOM 0 HZ3 LYS A 93 2.762 -27.861 18.962 1.00 73.41 H new ATOM 1468 N LYS A 94 1.412 -22.079 14.311 1.00 41.42 N ATOM 1469 CA LYS A 94 0.902 -22.109 12.933 1.00 52.21 C ATOM 1470 C LYS A 94 0.104 -20.842 12.591 1.00 3.43 C ATOM 1471 O LYS A 94 -0.685 -20.825 11.650 1.00 22.11 O ATOM 1472 CB LYS A 94 0.056 -23.370 12.689 1.00 3.51 C ATOM 1473 CG LYS A 94 0.897 -24.637 12.581 1.00 63.45 C ATOM 1474 CD LYS A 94 0.103 -25.818 12.028 1.00 31.14 C ATOM 1475 CE LYS A 94 1.020 -26.983 11.661 1.00 4.40 C ATOM 1476 NZ LYS A 94 2.044 -26.587 10.653 1.00 11.44 N ATOM 0 H LYS A 94 0.687 -22.107 15.028 1.00 41.42 H new ATOM 0 HA LYS A 94 1.765 -22.139 12.268 1.00 52.21 H new ATOM 0 HB2 LYS A 94 -0.660 -23.484 13.503 1.00 3.51 H new ATOM 0 HB3 LYS A 94 -0.520 -23.243 11.772 1.00 3.51 H new ATOM 0 HG2 LYS A 94 1.755 -24.446 11.937 1.00 63.45 H new ATOM 0 HG3 LYS A 94 1.288 -24.895 13.565 1.00 63.45 H new ATOM 0 HD2 LYS A 94 -0.627 -26.146 12.768 1.00 31.14 H new ATOM 0 HD3 LYS A 94 -0.456 -25.502 11.148 1.00 31.14 H new ATOM 0 HE2 LYS A 94 1.517 -27.351 12.559 1.00 4.40 H new ATOM 0 HE3 LYS A 94 0.423 -27.806 11.268 1.00 4.40 H new ATOM 0 HZ1 LYS A 94 2.391 -27.434 10.159 1.00 11.44 H new ATOM 0 HZ2 LYS A 94 1.619 -25.934 9.964 1.00 11.44 H new ATOM 0 HZ3 LYS A 94 2.838 -26.116 11.132 1.00 11.44 H new ATOM 1490 N CYS A 95 0.348 -19.767 13.338 1.00 34.04 N ATOM 1491 CA CYS A 95 -0.250 -18.459 13.033 1.00 45.14 C ATOM 1492 C CYS A 95 0.581 -17.711 11.976 1.00 62.11 C ATOM 1493 O CYS A 95 0.744 -16.488 12.041 1.00 21.12 O ATOM 1494 CB CYS A 95 -0.369 -17.612 14.308 1.00 72.41 C ATOM 1495 SG CYS A 95 -1.572 -18.237 15.508 1.00 5.13 S ATOM 0 H CYS A 95 0.954 -19.771 14.158 1.00 34.04 H new ATOM 0 HA CYS A 95 -1.248 -18.629 12.630 1.00 45.14 H new ATOM 0 HB2 CYS A 95 0.609 -17.557 14.786 1.00 72.41 H new ATOM 0 HB3 CYS A 95 -0.645 -16.595 14.030 1.00 72.41 H new ATOM 0 HG CYS A 95 -2.588 -17.428 15.565 1.00 5.13 H new ATOM 1501 N VAL A 96 1.097 -18.462 11.002 1.00 65.14 N ATOM 1502 CA VAL A 96 1.911 -17.909 9.913 1.00 24.21 C ATOM 1503 C VAL A 96 1.324 -18.314 8.551 1.00 25.45 C ATOM 1504 O VAL A 96 0.870 -17.472 7.775 1.00 50.52 O ATOM 1505 CB VAL A 96 3.381 -18.408 9.991 1.00 63.35 C ATOM 1506 CG1 VAL A 96 4.254 -17.696 8.957 1.00 54.30 C ATOM 1507 CG2 VAL A 96 3.949 -18.236 11.399 1.00 21.33 C ATOM 0 H VAL A 96 0.964 -19.472 10.944 1.00 65.14 H new ATOM 0 HA VAL A 96 1.900 -16.824 10.019 1.00 24.21 H new ATOM 0 HB VAL A 96 3.385 -19.473 9.760 1.00 63.35 H new ATOM 0 HG11 VAL A 96 5.278 -18.062 9.031 1.00 54.30 H new ATOM 0 HG12 VAL A 96 3.869 -17.895 7.957 1.00 54.30 H new ATOM 0 HG13 VAL A 96 4.238 -16.622 9.145 1.00 54.30 H new ATOM 0 HG21 VAL A 96 4.978 -18.594 11.422 1.00 21.33 H new ATOM 0 HG22 VAL A 96 3.925 -17.182 11.675 1.00 21.33 H new ATOM 0 HG23 VAL A 96 3.349 -18.810 12.106 1.00 21.33 H new ATOM 1517 N LEU A 97 1.343 -19.619 8.277 1.00 74.24 N ATOM 1518 CA LEU A 97 0.752 -20.183 7.059 1.00 25.42 C ATOM 1519 C LEU A 97 -0.163 -21.367 7.400 1.00 23.00 C ATOM 1520 O LEU A 97 -0.083 -21.932 8.494 1.00 1.40 O ATOM 1521 CB LEU A 97 1.850 -20.629 6.082 1.00 32.40 C ATOM 1522 CG LEU A 97 2.674 -19.490 5.458 1.00 30.24 C ATOM 1523 CD1 LEU A 97 3.769 -20.048 4.551 1.00 52.35 C ATOM 1524 CD2 LEU A 97 1.767 -18.534 4.685 1.00 33.42 C ATOM 0 H LEU A 97 1.767 -20.315 8.890 1.00 74.24 H new ATOM 0 HA LEU A 97 0.154 -19.407 6.582 1.00 25.42 H new ATOM 0 HB2 LEU A 97 2.529 -21.302 6.606 1.00 32.40 H new ATOM 0 HB3 LEU A 97 1.388 -21.204 5.279 1.00 32.40 H new ATOM 0 HG LEU A 97 3.153 -18.933 6.263 1.00 30.24 H new ATOM 0 HD11 LEU A 97 4.339 -19.225 4.120 1.00 52.35 H new ATOM 0 HD12 LEU A 97 4.435 -20.685 5.134 1.00 52.35 H new ATOM 0 HD13 LEU A 97 3.316 -20.633 3.751 1.00 52.35 H new ATOM 0 HD21 LEU A 97 2.367 -17.735 4.250 1.00 33.42 H new ATOM 0 HD22 LEU A 97 1.258 -19.079 3.890 1.00 33.42 H new ATOM 0 HD23 LEU A 97 1.028 -18.106 5.362 1.00 33.42 H new ATOM 1536 N GLU A 98 -1.016 -21.751 6.455 1.00 15.40 N ATOM 1537 CA GLU A 98 -2.015 -22.794 6.697 1.00 55.42 C ATOM 1538 C GLU A 98 -1.416 -24.217 6.628 1.00 64.55 C ATOM 1539 O GLU A 98 -0.195 -24.395 6.582 1.00 51.12 O ATOM 1540 CB GLU A 98 -3.205 -22.621 5.727 1.00 73.31 C ATOM 1541 CG GLU A 98 -2.831 -22.501 4.249 1.00 33.34 C ATOM 1542 CD GLU A 98 -2.430 -23.825 3.618 1.00 62.32 C ATOM 1543 OE1 GLU A 98 -3.270 -24.747 3.601 1.00 43.12 O ATOM 1544 OE2 GLU A 98 -1.284 -23.939 3.129 1.00 24.34 O ATOM 0 H GLU A 98 -1.038 -21.358 5.514 1.00 15.40 H new ATOM 0 HA GLU A 98 -2.380 -22.676 7.717 1.00 55.42 H new ATOM 0 HB2 GLU A 98 -3.877 -23.471 5.847 1.00 73.31 H new ATOM 0 HB3 GLU A 98 -3.763 -21.731 6.017 1.00 73.31 H new ATOM 0 HG2 GLU A 98 -3.677 -22.087 3.700 1.00 33.34 H new ATOM 0 HG3 GLU A 98 -2.008 -21.794 4.146 1.00 33.34 H new ATOM 1551 N HIS A 99 -2.291 -25.222 6.648 1.00 33.34 N ATOM 1552 CA HIS A 99 -1.876 -26.634 6.717 1.00 70.21 C ATOM 1553 C HIS A 99 -1.109 -27.117 5.466 1.00 75.45 C ATOM 1554 O HIS A 99 0.000 -27.648 5.580 1.00 15.21 O ATOM 1555 CB HIS A 99 -3.105 -27.527 6.967 1.00 62.22 C ATOM 1556 CG HIS A 99 -4.282 -27.218 6.085 1.00 3.04 C ATOM 1557 ND1 HIS A 99 -5.317 -26.395 6.475 1.00 70.30 N ATOM 1558 CD2 HIS A 99 -4.591 -27.629 4.831 1.00 62.25 C ATOM 1559 CE1 HIS A 99 -6.204 -26.312 5.505 1.00 63.23 C ATOM 1560 NE2 HIS A 99 -5.787 -27.048 4.499 1.00 23.22 N ATOM 0 H HIS A 99 -3.302 -25.088 6.617 1.00 33.34 H new ATOM 0 HA HIS A 99 -1.177 -26.713 7.549 1.00 70.21 H new ATOM 0 HB2 HIS A 99 -2.819 -28.569 6.820 1.00 62.22 H new ATOM 0 HB3 HIS A 99 -3.409 -27.424 8.009 1.00 62.22 H new ATOM 0 HD2 HIS A 99 -4.005 -28.290 4.210 1.00 62.25 H new ATOM 0 HE1 HIS A 99 -7.118 -25.737 5.532 1.00 63.23 H new ATOM 0 HE2 HIS A 99 -6.276 -27.168 3.612 1.00 23.22 H new ATOM 1569 N HIS A 100 -1.698 -26.932 4.286 1.00 64.04 N ATOM 1570 CA HIS A 100 -1.155 -27.492 3.040 1.00 34.04 C ATOM 1571 C HIS A 100 -2.009 -27.076 1.828 1.00 44.40 C ATOM 1572 O HIS A 100 -3.053 -27.677 1.558 1.00 55.02 O ATOM 1573 CB HIS A 100 -1.090 -29.029 3.135 1.00 13.23 C ATOM 1574 CG HIS A 100 -0.515 -29.705 1.926 1.00 73.24 C ATOM 1575 ND1 HIS A 100 0.830 -29.961 1.774 1.00 75.13 N ATOM 1576 CD2 HIS A 100 -1.113 -30.207 0.818 1.00 10.22 C ATOM 1577 CE1 HIS A 100 1.032 -30.588 0.634 1.00 40.03 C ATOM 1578 NE2 HIS A 100 -0.127 -30.750 0.034 1.00 73.31 N ATOM 0 H HIS A 100 -2.557 -26.396 4.162 1.00 64.04 H new ATOM 0 HA HIS A 100 -0.149 -27.097 2.901 1.00 34.04 H new ATOM 0 HB2 HIS A 100 -0.493 -29.301 4.006 1.00 13.23 H new ATOM 0 HB3 HIS A 100 -2.096 -29.412 3.306 1.00 13.23 H new ATOM 0 HD2 HIS A 100 -2.169 -30.184 0.594 1.00 10.22 H new ATOM 0 HE1 HIS A 100 1.989 -30.915 0.255 1.00 40.03 H new ATOM 0 HE2 HIS A 100 -0.270 -31.205 -0.868 1.00 73.31 H new ATOM 1587 N HIS A 101 -1.574 -26.037 1.116 1.00 11.34 N ATOM 1588 CA HIS A 101 -2.272 -25.585 -0.095 1.00 71.55 C ATOM 1589 C HIS A 101 -2.336 -26.677 -1.174 1.00 4.22 C ATOM 1590 O HIS A 101 -1.446 -27.523 -1.291 1.00 13.34 O ATOM 1591 CB HIS A 101 -1.617 -24.319 -0.666 1.00 12.31 C ATOM 1592 CG HIS A 101 -2.047 -23.062 0.025 1.00 22.31 C ATOM 1593 ND1 HIS A 101 -1.165 -22.150 0.563 1.00 11.21 N ATOM 1594 CD2 HIS A 101 -3.283 -22.553 0.239 1.00 33.21 C ATOM 1595 CE1 HIS A 101 -1.837 -21.139 1.076 1.00 34.22 C ATOM 1596 NE2 HIS A 101 -3.120 -21.360 0.891 1.00 0.54 N ATOM 0 H HIS A 101 -0.745 -25.492 1.353 1.00 11.34 H new ATOM 0 HA HIS A 101 -3.295 -25.354 0.202 1.00 71.55 H new ATOM 0 HB2 HIS A 101 -0.534 -24.414 -0.590 1.00 12.31 H new ATOM 0 HB3 HIS A 101 -1.857 -24.242 -1.726 1.00 12.31 H new ATOM 0 HD2 HIS A 101 -4.221 -23.003 -0.050 1.00 33.21 H new ATOM 0 HE1 HIS A 101 -1.408 -20.277 1.565 1.00 34.22 H new ATOM 0 HE2 HIS A 101 -3.875 -20.741 1.187 1.00 0.54 H new ATOM 1605 N HIS A 102 -3.396 -26.626 -1.975 1.00 53.43 N ATOM 1606 CA HIS A 102 -3.655 -27.631 -3.013 1.00 33.22 C ATOM 1607 C HIS A 102 -3.977 -26.969 -4.361 1.00 33.32 C ATOM 1608 O HIS A 102 -4.559 -25.882 -4.410 1.00 42.02 O ATOM 1609 CB HIS A 102 -4.814 -28.542 -2.578 1.00 60.33 C ATOM 1610 CG HIS A 102 -6.043 -27.789 -2.156 1.00 43.32 C ATOM 1611 ND1 HIS A 102 -7.129 -27.578 -2.981 1.00 14.44 N ATOM 1612 CD2 HIS A 102 -6.352 -27.187 -0.981 1.00 33.24 C ATOM 1613 CE1 HIS A 102 -8.041 -26.879 -2.337 1.00 64.14 C ATOM 1614 NE2 HIS A 102 -7.596 -26.632 -1.125 1.00 64.44 N ATOM 0 H HIS A 102 -4.101 -25.890 -1.927 1.00 53.43 H new ATOM 0 HA HIS A 102 -2.753 -28.230 -3.142 1.00 33.22 H new ATOM 0 HB2 HIS A 102 -5.071 -29.208 -3.402 1.00 60.33 H new ATOM 0 HB3 HIS A 102 -4.481 -29.170 -1.752 1.00 60.33 H new ATOM 0 HD1 HIS A 102 -7.213 -27.912 -3.941 1.00 14.44 H new ATOM 0 HD2 HIS A 102 -5.733 -27.152 -0.097 1.00 33.24 H new ATOM 0 HE1 HIS A 102 -8.993 -26.562 -2.737 1.00 64.14 H new ATOM 1623 N HIS A 103 -3.601 -27.631 -5.451 1.00 44.13 N ATOM 1624 CA HIS A 103 -3.860 -27.114 -6.799 1.00 74.35 C ATOM 1625 C HIS A 103 -5.334 -27.315 -7.186 1.00 51.12 C ATOM 1626 O HIS A 103 -5.971 -26.425 -7.752 1.00 51.40 O ATOM 1627 CB HIS A 103 -2.948 -27.811 -7.815 1.00 51.02 C ATOM 1628 CG HIS A 103 -1.491 -27.738 -7.468 1.00 40.32 C ATOM 1629 ND1 HIS A 103 -0.737 -28.847 -7.149 1.00 35.30 N ATOM 1630 CD2 HIS A 103 -0.644 -26.682 -7.392 1.00 31.44 C ATOM 1631 CE1 HIS A 103 0.501 -28.480 -6.890 1.00 4.30 C ATOM 1632 NE2 HIS A 103 0.586 -27.173 -7.029 1.00 45.33 N ATOM 0 H HIS A 103 -3.115 -28.528 -5.431 1.00 44.13 H new ATOM 0 HA HIS A 103 -3.646 -26.045 -6.804 1.00 74.35 H new ATOM 0 HB2 HIS A 103 -3.241 -28.858 -7.895 1.00 51.02 H new ATOM 0 HB3 HIS A 103 -3.102 -27.361 -8.796 1.00 51.02 H new ATOM 0 HD2 HIS A 103 -0.891 -25.648 -7.582 1.00 31.44 H new ATOM 0 HE1 HIS A 103 1.310 -29.139 -6.611 1.00 4.30 H new ATOM 0 HE2 HIS A 103 1.429 -26.616 -6.890 1.00 45.33 H new ATOM 1641 N HIS A 104 -5.863 -28.497 -6.869 1.00 21.44 N ATOM 1642 CA HIS A 104 -7.276 -28.824 -7.114 1.00 15.43 C ATOM 1643 C HIS A 104 -7.933 -29.400 -5.842 1.00 32.13 C ATOM 1644 O HIS A 104 -7.777 -30.612 -5.579 1.00 37.45 O ATOM 1645 CB HIS A 104 -7.392 -29.819 -8.280 1.00 20.53 C ATOM 1646 CG HIS A 104 -8.799 -30.264 -8.566 1.00 71.12 C ATOM 1647 ND1 HIS A 104 -9.441 -31.239 -7.831 1.00 33.20 N ATOM 1648 CD2 HIS A 104 -9.687 -29.870 -9.512 1.00 4.24 C ATOM 1649 CE1 HIS A 104 -10.653 -31.426 -8.310 1.00 22.42 C ATOM 1650 NE2 HIS A 104 -10.829 -30.610 -9.329 1.00 71.10 N ATOM 1651 OXT HIS A 104 -8.598 -28.632 -5.113 1.00 37.45 O ATOM 0 H HIS A 104 -5.332 -29.253 -6.438 1.00 21.44 H new ATOM 0 HA HIS A 104 -7.803 -27.908 -7.381 1.00 15.43 H new ATOM 0 HB2 HIS A 104 -6.977 -29.361 -9.178 1.00 20.53 H new ATOM 0 HB3 HIS A 104 -6.783 -30.695 -8.059 1.00 20.53 H new ATOM 0 HD1 HIS A 104 -9.038 -31.738 -7.038 1.00 33.20 H new ATOM 0 HD2 HIS A 104 -9.526 -29.115 -10.268 1.00 4.24 H new ATOM 0 HE1 HIS A 104 -11.380 -32.129 -7.932 1.00 22.42 H new TER 1660 HIS A 104