USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 984 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 118 CYS SG : rot -22:sc= 0.669 USER MOD Set 1.2: A 119 GLN : amide:sc= -4.71! C(o=-4!,f=-6.8!) USER MOD Set 2.1: A 105 LYS NZ :NH3+ -138:sc= 0.053 (180deg=-0.0755) USER MOD Set 2.2: A 108 THR OG1 : rot 150:sc=-0.00677 USER MOD Set 3.1: A 81 LYS NZ :NH3+ -122:sc= -0.0154 (180deg=-0.125) USER MOD Set 3.2: A 85 LYS NZ :NH3+ -125:sc= -0.0343 (180deg=-0.828) USER MOD Set 4.1: A 37 TYR OH : rot 180:sc= -0.263 USER MOD Set 4.2: A 48 SER OG : rot -112:sc= 1.15 USER MOD Set 4.3: A 53 CYS SG : rot -170:sc= 0.0011 USER MOD Set 5.1: A 39 SER OG : rot -139:sc= 1.12 USER MOD Set 5.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00675 USER MOD Single : A 7 THR OG1 : rot 53:sc= 0.605 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -70:sc= -0.305 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -119:sc= -0.765 (180deg=-2.75!) USER MOD Single : A 29 HIS :FLIP no HE2:sc= -5.11! C(o=-6.6!,f=-5.1!) USER MOD Single : A 31 SER OG : rot 180:sc= -0.361 USER MOD Single : A 32 LYS NZ :NH3+ 172:sc= -1.15 (180deg=-1.32) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 107:sc= 0.761 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot 180:sc= -1.36 USER MOD Single : A 65 LYS NZ :NH3+ -157:sc= -0.117 (180deg=-0.778) USER MOD Single : A 66 HIS : no HD1:sc= -0.202 X(o=-0.2,f=0.0036) USER MOD Single : A 68 THR OG1 : rot -128:sc= 0.605 USER MOD Single : A 71 CYS SG : rot 157:sc= 0.553 USER MOD Single : A 76 CYS SG : rot 180:sc= -0.143 USER MOD Single : A 77 GLN : amide:sc= -0.251 K(o=-0.25,f=-4.2!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.133 F(o=-0.89,f=-0.13) USER MOD Single : A 89 ASN : amide:sc= -1.49! C(o=-1.5!,f=-3.9!) USER MOD Single : A 93 GLN : amide:sc= 0.00211 X(o=0.0021,f=-0.13) USER MOD Single : A 94 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0238) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -34:sc= 0.337 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 LYS NZ :NH3+ -146:sc=-0.00917 (180deg=-1.79!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 CYS SG : rot 138:sc= -0.381 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 125 MET CE :methyl -155:sc= -0.125 (180deg=-0.577) USER MOD Single : A 128 SER OG : rot 84:sc= 0.444 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.852 22.314 19.143 1.00 0.00 N ATOM 2 CA GLY A 1 -10.154 21.072 18.864 1.00 0.00 C ATOM 3 C GLY A 1 -8.772 21.302 18.285 1.00 0.00 C ATOM 4 O GLY A 1 -8.624 21.524 17.083 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.791 22.103 19.537 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.306 22.873 19.830 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.960 22.857 18.263 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.068 20.493 19.783 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.743 20.477 18.166 1.00 0.00 H new ATOM 8 N SER A 2 -7.757 21.250 19.142 1.00 0.00 N ATOM 9 CA SER A 2 -6.380 21.459 18.710 1.00 0.00 C ATOM 10 C SER A 2 -6.105 20.729 17.399 1.00 0.00 C ATOM 11 O SER A 2 -6.717 19.702 17.109 1.00 0.00 O ATOM 12 CB SER A 2 -5.406 20.980 19.788 1.00 0.00 C ATOM 13 OG SER A 2 -4.085 20.902 19.283 1.00 0.00 O ATOM 0 H SER A 2 -7.862 21.065 20.140 1.00 0.00 H new ATOM 0 HA SER A 2 -6.235 22.527 18.548 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.434 21.663 20.637 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.717 20.002 20.155 1.00 0.00 H new ATOM 0 HG SER A 2 -3.482 20.595 19.992 1.00 0.00 H new ATOM 19 N GLU A 3 -5.180 21.268 16.611 1.00 0.00 N ATOM 20 CA GLU A 3 -4.824 20.668 15.331 1.00 0.00 C ATOM 21 C GLU A 3 -3.757 19.592 15.511 1.00 0.00 C ATOM 22 O GLU A 3 -3.143 19.483 16.572 1.00 0.00 O ATOM 23 CB GLU A 3 -4.323 21.741 14.361 1.00 0.00 C ATOM 24 CG GLU A 3 -5.409 22.697 13.898 1.00 0.00 C ATOM 25 CD GLU A 3 -5.781 23.715 14.958 1.00 0.00 C ATOM 26 OE1 GLU A 3 -4.926 24.016 15.817 1.00 0.00 O ATOM 27 OE2 GLU A 3 -6.927 24.210 14.930 1.00 0.00 O ATOM 0 H GLU A 3 -4.664 22.118 16.837 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.718 20.202 14.917 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -3.529 22.312 14.842 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.883 21.255 13.490 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.071 23.218 13.002 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.295 22.127 13.620 1.00 0.00 H new ATOM 34 N GLY A 4 -3.543 18.798 14.467 1.00 0.00 N ATOM 35 CA GLY A 4 -2.551 17.740 14.530 1.00 0.00 C ATOM 36 C GLY A 4 -2.283 17.115 13.176 1.00 0.00 C ATOM 37 O GLY A 4 -2.469 15.912 12.992 1.00 0.00 O ATOM 0 H GLY A 4 -4.039 18.868 13.578 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.621 18.142 14.932 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.890 16.969 15.222 1.00 0.00 H new ATOM 41 N ALA A 5 -1.847 17.933 12.224 1.00 0.00 N ATOM 42 CA ALA A 5 -1.552 17.453 10.879 1.00 0.00 C ATOM 43 C ALA A 5 -0.273 16.623 10.860 1.00 0.00 C ATOM 44 O ALA A 5 0.705 16.957 11.529 1.00 0.00 O ATOM 45 CB ALA A 5 -1.439 18.623 9.914 1.00 0.00 C ATOM 0 H ALA A 5 -1.690 18.932 12.359 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.374 16.812 10.561 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.219 18.250 8.914 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.380 19.173 9.897 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -0.637 19.286 10.239 1.00 0.00 H new ATOM 51 N ALA A 6 -0.287 15.540 10.090 1.00 0.00 N ATOM 52 CA ALA A 6 0.873 14.664 9.984 1.00 0.00 C ATOM 53 C ALA A 6 0.771 13.766 8.756 1.00 0.00 C ATOM 54 O ALA A 6 -0.144 12.949 8.644 1.00 0.00 O ATOM 55 CB ALA A 6 1.017 13.823 11.244 1.00 0.00 C ATOM 0 H ALA A 6 -1.089 15.248 9.531 1.00 0.00 H new ATOM 0 HA ALA A 6 1.760 15.288 9.874 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.887 13.174 11.151 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.144 14.478 12.106 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.123 13.214 11.379 1.00 0.00 H new ATOM 61 N THR A 7 1.716 13.922 7.834 1.00 0.00 N ATOM 62 CA THR A 7 1.732 13.126 6.613 1.00 0.00 C ATOM 63 C THR A 7 2.572 11.866 6.788 1.00 0.00 C ATOM 64 O THR A 7 3.755 11.846 6.453 1.00 0.00 O ATOM 65 CB THR A 7 2.283 13.935 5.423 1.00 0.00 C ATOM 66 OG1 THR A 7 3.577 14.457 5.742 1.00 0.00 O ATOM 67 CG2 THR A 7 1.344 15.076 5.064 1.00 0.00 C ATOM 0 H THR A 7 2.481 14.593 7.910 1.00 0.00 H new ATOM 0 HA THR A 7 0.700 12.845 6.406 1.00 0.00 H new ATOM 0 HB THR A 7 2.363 13.268 4.565 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.155 13.730 6.055 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.754 15.633 4.221 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.368 14.673 4.792 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.236 15.741 5.921 1.00 0.00 H new ATOM 75 N MET A 8 1.951 10.816 7.315 1.00 0.00 N ATOM 76 CA MET A 8 2.642 9.550 7.533 1.00 0.00 C ATOM 77 C MET A 8 1.809 8.381 7.019 1.00 0.00 C ATOM 78 O MET A 8 0.581 8.406 7.083 1.00 0.00 O ATOM 79 CB MET A 8 2.946 9.360 9.020 1.00 0.00 C ATOM 80 CG MET A 8 3.951 10.361 9.568 1.00 0.00 C ATOM 81 SD MET A 8 5.633 10.034 9.008 1.00 0.00 S ATOM 82 CE MET A 8 6.565 10.432 10.485 1.00 0.00 C ATOM 0 H MET A 8 0.971 10.816 7.599 1.00 0.00 H new ATOM 0 HA MET A 8 3.580 9.576 6.978 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.018 9.443 9.586 1.00 0.00 H new ATOM 0 HB3 MET A 8 3.327 8.351 9.179 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.660 11.366 9.263 1.00 0.00 H new ATOM 0 HG3 MET A 8 3.924 10.338 10.657 1.00 0.00 H new ATOM 0 HE1 MET A 8 7.628 10.279 10.297 1.00 0.00 H new ATOM 0 HE2 MET A 8 6.391 11.473 10.756 1.00 0.00 H new ATOM 0 HE3 MET A 8 6.245 9.786 11.302 1.00 0.00 H new ATOM 92 N ALA A 9 2.486 7.357 6.508 1.00 0.00 N ATOM 93 CA ALA A 9 1.808 6.178 5.985 1.00 0.00 C ATOM 94 C ALA A 9 1.388 5.241 7.112 1.00 0.00 C ATOM 95 O ALA A 9 1.828 5.387 8.253 1.00 0.00 O ATOM 96 CB ALA A 9 2.706 5.448 4.996 1.00 0.00 C ATOM 0 H ALA A 9 3.503 7.321 6.445 1.00 0.00 H new ATOM 0 HA ALA A 9 0.907 6.507 5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.187 4.569 4.613 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.952 6.113 4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.623 5.138 5.497 1.00 0.00 H new ATOM 102 N THR A 10 0.532 4.276 6.786 1.00 0.00 N ATOM 103 CA THR A 10 0.051 3.316 7.771 1.00 0.00 C ATOM 104 C THR A 10 -0.187 1.950 7.137 1.00 0.00 C ATOM 105 O THR A 10 -0.762 1.849 6.053 1.00 0.00 O ATOM 106 CB THR A 10 -1.255 3.797 8.432 1.00 0.00 C ATOM 107 OG1 THR A 10 -2.204 4.170 7.427 1.00 0.00 O ATOM 108 CG2 THR A 10 -0.992 4.979 9.352 1.00 0.00 C ATOM 0 H THR A 10 0.158 4.140 5.847 1.00 0.00 H new ATOM 0 HA THR A 10 0.826 3.230 8.533 1.00 0.00 H new ATOM 0 HB THR A 10 -1.659 2.977 9.026 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.904 4.990 6.982 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.929 5.301 9.807 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.292 4.683 10.133 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.567 5.801 8.776 1.00 0.00 H new ATOM 116 N PHE A 11 0.259 0.901 7.820 1.00 0.00 N ATOM 117 CA PHE A 11 0.095 -0.460 7.323 1.00 0.00 C ATOM 118 C PHE A 11 -0.523 -1.358 8.391 1.00 0.00 C ATOM 119 O PHE A 11 -0.076 -1.373 9.537 1.00 0.00 O ATOM 120 CB PHE A 11 1.443 -1.030 6.879 1.00 0.00 C ATOM 121 CG PHE A 11 2.183 -1.742 7.974 1.00 0.00 C ATOM 122 CD1 PHE A 11 1.898 -3.064 8.275 1.00 0.00 C ATOM 123 CD2 PHE A 11 3.165 -1.090 8.703 1.00 0.00 C ATOM 124 CE1 PHE A 11 2.577 -3.723 9.283 1.00 0.00 C ATOM 125 CE2 PHE A 11 3.848 -1.744 9.712 1.00 0.00 C ATOM 126 CZ PHE A 11 3.553 -3.061 10.003 1.00 0.00 C ATOM 0 H PHE A 11 0.737 0.967 8.719 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.578 -0.428 6.466 1.00 0.00 H new ATOM 0 HB2 PHE A 11 1.281 -1.721 6.052 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.064 -0.219 6.500 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.136 -3.586 7.715 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.399 -0.059 8.481 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.345 -4.754 9.507 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.612 -1.225 10.272 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.084 -3.573 10.792 1.00 0.00 H new ATOM 136 N GLU A 12 -1.553 -2.105 8.005 1.00 0.00 N ATOM 137 CA GLU A 12 -2.232 -3.005 8.929 1.00 0.00 C ATOM 138 C GLU A 12 -2.159 -4.447 8.437 1.00 0.00 C ATOM 139 O GLU A 12 -2.479 -4.737 7.285 1.00 0.00 O ATOM 140 CB GLU A 12 -3.694 -2.586 9.102 1.00 0.00 C ATOM 141 CG GLU A 12 -4.391 -3.275 10.263 1.00 0.00 C ATOM 142 CD GLU A 12 -4.186 -2.552 11.579 1.00 0.00 C ATOM 143 OE1 GLU A 12 -3.117 -2.736 12.197 1.00 0.00 O ATOM 144 OE2 GLU A 12 -5.095 -1.801 11.991 1.00 0.00 O ATOM 0 H GLU A 12 -1.935 -2.104 7.059 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.727 -2.943 9.893 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.739 -1.507 9.251 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.237 -2.804 8.182 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.458 -3.343 10.052 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.018 -4.295 10.352 1.00 0.00 H new ATOM 151 N GLU A 13 -1.735 -5.347 9.320 1.00 0.00 N ATOM 152 CA GLU A 13 -1.619 -6.759 8.974 1.00 0.00 C ATOM 153 C GLU A 13 -2.932 -7.492 9.232 1.00 0.00 C ATOM 154 O GLU A 13 -3.367 -7.626 10.376 1.00 0.00 O ATOM 155 CB GLU A 13 -0.492 -7.412 9.777 1.00 0.00 C ATOM 156 CG GLU A 13 0.153 -8.593 9.071 1.00 0.00 C ATOM 157 CD GLU A 13 0.714 -9.616 10.039 1.00 0.00 C ATOM 158 OE1 GLU A 13 1.806 -9.374 10.592 1.00 0.00 O ATOM 159 OE2 GLU A 13 0.059 -10.660 10.243 1.00 0.00 O ATOM 0 H GLU A 13 -1.467 -5.124 10.278 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.387 -6.829 7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.272 -6.664 9.989 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.887 -7.745 10.737 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.584 -9.073 8.427 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.954 -8.232 8.425 1.00 0.00 H new ATOM 166 N VAL A 14 -3.560 -7.964 8.160 1.00 0.00 N ATOM 167 CA VAL A 14 -4.823 -8.684 8.268 1.00 0.00 C ATOM 168 C VAL A 14 -4.681 -10.121 7.780 1.00 0.00 C ATOM 169 O VAL A 14 -4.576 -10.372 6.580 1.00 0.00 O ATOM 170 CB VAL A 14 -5.937 -7.988 7.463 1.00 0.00 C ATOM 171 CG1 VAL A 14 -7.243 -8.760 7.581 1.00 0.00 C ATOM 172 CG2 VAL A 14 -6.113 -6.551 7.931 1.00 0.00 C ATOM 0 H VAL A 14 -3.214 -7.861 7.206 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.095 -8.687 9.323 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.647 -7.971 6.413 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.018 -8.254 7.006 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.105 -9.770 7.194 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.542 -8.811 8.628 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.904 -6.074 7.352 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.381 -6.543 8.987 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.180 -6.005 7.789 1.00 0.00 H new ATOM 182 N SER A 15 -4.677 -11.062 8.720 1.00 0.00 N ATOM 183 CA SER A 15 -4.544 -12.475 8.386 1.00 0.00 C ATOM 184 C SER A 15 -5.887 -13.062 7.964 1.00 0.00 C ATOM 185 O SER A 15 -6.922 -12.771 8.564 1.00 0.00 O ATOM 186 CB SER A 15 -3.988 -13.252 9.580 1.00 0.00 C ATOM 187 OG SER A 15 -3.896 -14.636 9.290 1.00 0.00 O ATOM 0 H SER A 15 -4.764 -10.871 9.718 1.00 0.00 H new ATOM 0 HA SER A 15 -3.850 -12.562 7.550 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.003 -12.866 9.842 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.631 -13.101 10.447 1.00 0.00 H new ATOM 0 HG SER A 15 -3.536 -15.110 10.069 1.00 0.00 H new ATOM 193 N VAL A 16 -5.863 -13.892 6.925 1.00 0.00 N ATOM 194 CA VAL A 16 -7.078 -14.523 6.422 1.00 0.00 C ATOM 195 C VAL A 16 -6.766 -15.849 5.739 1.00 0.00 C ATOM 196 O VAL A 16 -5.646 -16.075 5.277 1.00 0.00 O ATOM 197 CB VAL A 16 -7.814 -13.606 5.427 1.00 0.00 C ATOM 198 CG1 VAL A 16 -8.404 -12.402 6.145 1.00 0.00 C ATOM 199 CG2 VAL A 16 -6.876 -13.166 4.313 1.00 0.00 C ATOM 0 H VAL A 16 -5.016 -14.143 6.416 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.721 -14.704 7.283 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.633 -14.169 4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.920 -11.766 5.426 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.111 -12.741 6.902 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.605 -11.835 6.622 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.413 -12.519 3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.034 -12.621 4.740 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.508 -14.043 3.780 1.00 0.00 H new ATOM 209 N LEU A 17 -7.763 -16.725 5.677 1.00 0.00 N ATOM 210 CA LEU A 17 -7.596 -18.032 5.050 1.00 0.00 C ATOM 211 C LEU A 17 -8.778 -18.354 4.142 1.00 0.00 C ATOM 212 O LEU A 17 -9.885 -18.609 4.614 1.00 0.00 O ATOM 213 CB LEU A 17 -7.446 -19.117 6.117 1.00 0.00 C ATOM 214 CG LEU A 17 -6.602 -20.331 5.727 1.00 0.00 C ATOM 215 CD1 LEU A 17 -6.232 -21.142 6.959 1.00 0.00 C ATOM 216 CD2 LEU A 17 -7.346 -21.196 4.720 1.00 0.00 C ATOM 0 H LEU A 17 -8.696 -16.554 6.053 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.692 -18.003 4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.007 -18.665 7.007 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.441 -19.465 6.394 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.682 -19.976 5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.632 -22.002 6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.659 -20.519 7.646 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.140 -21.487 7.454 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.731 -22.055 4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.282 -21.542 5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.559 -20.611 3.825 1.00 0.00 H new ATOM 228 N GLY A 18 -8.534 -18.344 2.835 1.00 0.00 N ATOM 229 CA GLY A 18 -9.587 -18.639 1.881 1.00 0.00 C ATOM 230 C GLY A 18 -10.007 -17.419 1.085 1.00 0.00 C ATOM 231 O GLY A 18 -9.546 -16.308 1.347 1.00 0.00 O ATOM 0 H GLY A 18 -7.626 -18.137 2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.246 -19.416 1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.452 -19.039 2.411 1.00 0.00 H new ATOM 235 N PHE A 19 -10.883 -17.626 0.107 1.00 0.00 N ATOM 236 CA PHE A 19 -11.363 -16.534 -0.732 1.00 0.00 C ATOM 237 C PHE A 19 -12.502 -15.783 -0.049 1.00 0.00 C ATOM 238 O PHE A 19 -12.682 -14.584 -0.259 1.00 0.00 O ATOM 239 CB PHE A 19 -11.831 -17.072 -2.086 1.00 0.00 C ATOM 240 CG PHE A 19 -12.045 -15.999 -3.116 1.00 0.00 C ATOM 241 CD1 PHE A 19 -13.143 -15.156 -3.040 1.00 0.00 C ATOM 242 CD2 PHE A 19 -11.149 -15.833 -4.159 1.00 0.00 C ATOM 243 CE1 PHE A 19 -13.342 -14.169 -3.986 1.00 0.00 C ATOM 244 CE2 PHE A 19 -11.342 -14.847 -5.108 1.00 0.00 C ATOM 245 CZ PHE A 19 -12.440 -14.014 -5.021 1.00 0.00 C ATOM 0 H PHE A 19 -11.275 -18.539 -0.124 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.538 -15.840 -0.890 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.094 -17.782 -2.460 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.762 -17.622 -1.947 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -13.851 -15.272 -2.232 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.289 -16.482 -4.232 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -14.202 -13.519 -3.917 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.635 -14.728 -5.916 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.593 -13.242 -5.761 1.00 0.00 H new ATOM 255 N GLU A 20 -13.269 -16.498 0.768 1.00 0.00 N ATOM 256 CA GLU A 20 -14.391 -15.900 1.481 1.00 0.00 C ATOM 257 C GLU A 20 -13.930 -14.715 2.324 1.00 0.00 C ATOM 258 O GLU A 20 -14.306 -13.572 2.065 1.00 0.00 O ATOM 259 CB GLU A 20 -15.071 -16.941 2.373 1.00 0.00 C ATOM 260 CG GLU A 20 -15.885 -17.965 1.600 1.00 0.00 C ATOM 261 CD GLU A 20 -16.957 -18.619 2.450 1.00 0.00 C ATOM 262 OE1 GLU A 20 -18.006 -17.981 2.677 1.00 0.00 O ATOM 263 OE2 GLU A 20 -16.747 -19.770 2.887 1.00 0.00 O ATOM 0 H GLU A 20 -13.134 -17.492 0.952 1.00 0.00 H new ATOM 0 HA GLU A 20 -15.108 -15.541 0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.310 -17.459 2.957 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.723 -16.430 3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.352 -17.480 0.742 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.218 -18.733 1.208 1.00 0.00 H new ATOM 270 N GLU A 21 -13.114 -14.997 3.335 1.00 0.00 N ATOM 271 CA GLU A 21 -12.604 -13.954 4.218 1.00 0.00 C ATOM 272 C GLU A 21 -11.843 -12.895 3.425 1.00 0.00 C ATOM 273 O GLU A 21 -12.150 -11.706 3.503 1.00 0.00 O ATOM 274 CB GLU A 21 -11.691 -14.561 5.286 1.00 0.00 C ATOM 275 CG GLU A 21 -12.425 -15.439 6.286 1.00 0.00 C ATOM 276 CD GLU A 21 -13.140 -16.603 5.626 1.00 0.00 C ATOM 277 OE1 GLU A 21 -12.452 -17.534 5.159 1.00 0.00 O ATOM 278 OE2 GLU A 21 -14.388 -16.582 5.578 1.00 0.00 O ATOM 0 H GLU A 21 -12.792 -15.938 3.563 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.455 -13.477 4.705 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.916 -15.151 4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.188 -13.756 5.822 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.714 -15.822 7.018 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.150 -14.834 6.831 1.00 0.00 H new ATOM 285 N PHE A 22 -10.847 -13.337 2.664 1.00 0.00 N ATOM 286 CA PHE A 22 -10.040 -12.428 1.858 1.00 0.00 C ATOM 287 C PHE A 22 -10.913 -11.362 1.201 1.00 0.00 C ATOM 288 O PHE A 22 -10.604 -10.172 1.256 1.00 0.00 O ATOM 289 CB PHE A 22 -9.273 -13.206 0.787 1.00 0.00 C ATOM 290 CG PHE A 22 -8.740 -12.339 -0.318 1.00 0.00 C ATOM 291 CD1 PHE A 22 -8.074 -11.159 -0.030 1.00 0.00 C ATOM 292 CD2 PHE A 22 -8.904 -12.705 -1.644 1.00 0.00 C ATOM 293 CE1 PHE A 22 -7.583 -10.359 -1.044 1.00 0.00 C ATOM 294 CE2 PHE A 22 -8.415 -11.909 -2.663 1.00 0.00 C ATOM 295 CZ PHE A 22 -7.753 -10.735 -2.362 1.00 0.00 C ATOM 0 H PHE A 22 -10.579 -14.318 2.589 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.328 -11.933 2.518 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.443 -13.733 1.257 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.930 -13.963 0.359 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.937 -10.861 0.999 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -9.420 -13.623 -1.884 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.067 -9.441 -0.806 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -8.550 -12.205 -3.693 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.369 -10.112 -3.156 1.00 0.00 H new ATOM 305 N ASP A 23 -12.003 -11.800 0.581 1.00 0.00 N ATOM 306 CA ASP A 23 -12.922 -10.885 -0.086 1.00 0.00 C ATOM 307 C ASP A 23 -13.366 -9.774 0.861 1.00 0.00 C ATOM 308 O ASP A 23 -13.275 -8.590 0.533 1.00 0.00 O ATOM 309 CB ASP A 23 -14.142 -11.644 -0.609 1.00 0.00 C ATOM 310 CG ASP A 23 -14.893 -10.871 -1.674 1.00 0.00 C ATOM 311 OD1 ASP A 23 -14.400 -10.806 -2.820 1.00 0.00 O ATOM 312 OD2 ASP A 23 -15.975 -10.330 -1.363 1.00 0.00 O ATOM 0 H ASP A 23 -12.272 -12.782 0.526 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.398 -10.433 -0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.822 -12.602 -1.018 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.815 -11.860 0.221 1.00 0.00 H new ATOM 317 N LYS A 24 -13.848 -10.163 2.036 1.00 0.00 N ATOM 318 CA LYS A 24 -14.306 -9.201 3.032 1.00 0.00 C ATOM 319 C LYS A 24 -13.202 -8.207 3.377 1.00 0.00 C ATOM 320 O LYS A 24 -13.368 -6.999 3.208 1.00 0.00 O ATOM 321 CB LYS A 24 -14.767 -9.928 4.298 1.00 0.00 C ATOM 322 CG LYS A 24 -16.222 -10.361 4.256 1.00 0.00 C ATOM 323 CD LYS A 24 -16.599 -11.168 5.487 1.00 0.00 C ATOM 324 CE LYS A 24 -16.906 -10.265 6.672 1.00 0.00 C ATOM 325 NZ LYS A 24 -17.063 -11.040 7.933 1.00 0.00 N ATOM 0 H LYS A 24 -13.932 -11.138 2.322 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.147 -8.650 2.610 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.140 -10.806 4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.616 -9.275 5.157 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -16.862 -9.482 4.186 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.400 -10.957 3.361 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -17.468 -11.787 5.265 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.783 -11.844 5.745 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.104 -9.536 6.791 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.819 -9.704 6.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.271 -10.389 8.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.845 -11.718 7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.183 -11.555 8.136 1.00 0.00 H new ATOM 339 N ALA A 25 -12.076 -8.723 3.858 1.00 0.00 N ATOM 340 CA ALA A 25 -10.944 -7.880 4.223 1.00 0.00 C ATOM 341 C ALA A 25 -10.603 -6.905 3.102 1.00 0.00 C ATOM 342 O ALA A 25 -10.133 -5.795 3.352 1.00 0.00 O ATOM 343 CB ALA A 25 -9.736 -8.738 4.565 1.00 0.00 C ATOM 0 H ALA A 25 -11.923 -9.721 4.004 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.223 -7.299 5.102 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.898 -8.095 4.836 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.979 -9.390 5.404 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.464 -9.344 3.701 1.00 0.00 H new ATOM 349 N VAL A 26 -10.841 -7.326 1.864 1.00 0.00 N ATOM 350 CA VAL A 26 -10.559 -6.489 0.704 1.00 0.00 C ATOM 351 C VAL A 26 -11.585 -5.370 0.570 1.00 0.00 C ATOM 352 O VAL A 26 -11.261 -4.193 0.730 1.00 0.00 O ATOM 353 CB VAL A 26 -10.546 -7.317 -0.596 1.00 0.00 C ATOM 354 CG1 VAL A 26 -10.556 -6.403 -1.811 1.00 0.00 C ATOM 355 CG2 VAL A 26 -9.340 -8.244 -0.625 1.00 0.00 C ATOM 0 H VAL A 26 -11.229 -8.242 1.639 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.571 -6.055 0.860 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.447 -7.930 -0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.547 -7.005 -2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.454 -5.785 -1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.675 -5.762 -1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.347 -8.821 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.426 -7.653 -0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.382 -8.923 0.227 1.00 0.00 H new ATOM 365 N LYS A 27 -12.826 -5.745 0.278 1.00 0.00 N ATOM 366 CA LYS A 27 -13.903 -4.773 0.124 1.00 0.00 C ATOM 367 C LYS A 27 -13.987 -3.858 1.342 1.00 0.00 C ATOM 368 O LYS A 27 -14.364 -2.693 1.228 1.00 0.00 O ATOM 369 CB LYS A 27 -15.239 -5.491 -0.082 1.00 0.00 C ATOM 370 CG LYS A 27 -15.998 -5.745 1.209 1.00 0.00 C ATOM 371 CD LYS A 27 -17.372 -6.336 0.941 1.00 0.00 C ATOM 372 CE LYS A 27 -18.318 -5.301 0.353 1.00 0.00 C ATOM 373 NZ LYS A 27 -18.237 -5.255 -1.133 1.00 0.00 N ATOM 0 H LYS A 27 -13.111 -6.715 0.143 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.687 -4.163 -0.753 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -15.863 -4.896 -0.749 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -15.057 -6.443 -0.580 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -15.426 -6.424 1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -16.104 -4.810 1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -17.280 -7.178 0.255 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -17.789 -6.726 1.869 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -19.340 -5.531 0.654 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -18.079 -4.318 0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -17.930 -4.308 -1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -17.552 -5.963 -1.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -19.172 -5.461 -1.538 1.00 0.00 H new ATOM 387 N GLU A 28 -13.633 -4.395 2.505 1.00 0.00 N ATOM 388 CA GLU A 28 -13.669 -3.625 3.743 1.00 0.00 C ATOM 389 C GLU A 28 -12.720 -2.431 3.669 1.00 0.00 C ATOM 390 O GLU A 28 -13.059 -1.327 4.096 1.00 0.00 O ATOM 391 CB GLU A 28 -13.298 -4.512 4.933 1.00 0.00 C ATOM 392 CG GLU A 28 -14.461 -5.329 5.470 1.00 0.00 C ATOM 393 CD GLU A 28 -15.630 -4.465 5.902 1.00 0.00 C ATOM 394 OE1 GLU A 28 -15.485 -3.727 6.900 1.00 0.00 O ATOM 395 OE2 GLU A 28 -16.690 -4.526 5.244 1.00 0.00 O ATOM 0 H GLU A 28 -13.318 -5.359 2.616 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.684 -3.253 3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.497 -5.188 4.635 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.905 -3.885 5.734 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.794 -6.028 4.703 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.121 -5.924 6.317 1.00 0.00 H new ATOM 402 N HIS A 29 -11.530 -2.662 3.125 1.00 0.00 N ATOM 403 CA HIS A 29 -10.531 -1.607 2.995 1.00 0.00 C ATOM 404 C HIS A 29 -10.491 -1.070 1.567 1.00 0.00 C ATOM 405 O HIS A 29 -9.511 -0.449 1.156 1.00 0.00 O ATOM 406 CB HIS A 29 -9.151 -2.129 3.395 1.00 0.00 C ATOM 407 CG HIS A 29 -9.152 -2.900 4.679 1.00 0.00 C ATOM 408 ND1 HIS A 29 -8.700 -4.143 4.966 1.00 0.00 N flip ATOM 409 CD2 HIS A 29 -9.665 -2.399 5.857 1.00 0.00 C flip ATOM 410 CE1 HIS A 29 -8.944 -4.368 6.299 1.00 0.00 C flip ATOM 411 NE2 HIS A 29 -9.526 -3.300 6.814 1.00 0.00 N flip ATOM 0 H HIS A 29 -11.234 -3.570 2.767 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.810 -0.792 3.663 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.768 -2.766 2.598 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -8.465 -1.287 3.487 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -8.260 -4.792 4.314 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.111 -1.423 5.979 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.700 -5.271 6.838 1.00 0.00 H new ATOM 420 N GLU A 30 -11.561 -1.316 0.817 1.00 0.00 N ATOM 421 CA GLU A 30 -11.645 -0.858 -0.565 1.00 0.00 C ATOM 422 C GLU A 30 -11.337 0.633 -0.664 1.00 0.00 C ATOM 423 O GLU A 30 -10.776 1.097 -1.657 1.00 0.00 O ATOM 424 CB GLU A 30 -13.036 -1.142 -1.135 1.00 0.00 C ATOM 425 CG GLU A 30 -14.149 -0.382 -0.433 1.00 0.00 C ATOM 426 CD GLU A 30 -14.387 0.990 -1.035 1.00 0.00 C ATOM 427 OE1 GLU A 30 -13.931 1.225 -2.173 1.00 0.00 O ATOM 428 OE2 GLU A 30 -15.031 1.827 -0.368 1.00 0.00 O ATOM 0 H GLU A 30 -12.380 -1.829 1.143 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.903 -1.404 -1.148 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.045 -0.885 -2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.237 -2.211 -1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.070 -0.963 -0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.900 -0.274 0.623 1.00 0.00 H new ATOM 435 N SER A 31 -11.709 1.378 0.372 1.00 0.00 N ATOM 436 CA SER A 31 -11.477 2.817 0.400 1.00 0.00 C ATOM 437 C SER A 31 -9.990 3.131 0.265 1.00 0.00 C ATOM 438 O SER A 31 -9.600 4.052 -0.452 1.00 0.00 O ATOM 439 CB SER A 31 -12.020 3.417 1.699 1.00 0.00 C ATOM 440 OG SER A 31 -11.673 2.616 2.815 1.00 0.00 O ATOM 0 H SER A 31 -12.172 1.009 1.203 1.00 0.00 H new ATOM 0 HA SER A 31 -12.003 3.261 -0.445 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.623 4.423 1.832 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.104 3.508 1.636 1.00 0.00 H new ATOM 0 HG SER A 31 -12.030 3.022 3.633 1.00 0.00 H new ATOM 446 N LYS A 32 -9.163 2.357 0.960 1.00 0.00 N ATOM 447 CA LYS A 32 -7.718 2.549 0.918 1.00 0.00 C ATOM 448 C LYS A 32 -7.040 1.415 0.155 1.00 0.00 C ATOM 449 O LYS A 32 -7.680 0.428 -0.209 1.00 0.00 O ATOM 450 CB LYS A 32 -7.153 2.632 2.338 1.00 0.00 C ATOM 451 CG LYS A 32 -7.419 1.391 3.172 1.00 0.00 C ATOM 452 CD LYS A 32 -8.722 1.508 3.946 1.00 0.00 C ATOM 453 CE LYS A 32 -8.502 2.133 5.315 1.00 0.00 C ATOM 454 NZ LYS A 32 -7.851 3.468 5.218 1.00 0.00 N ATOM 0 H LYS A 32 -9.469 1.590 1.559 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.516 3.485 0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.077 2.799 2.283 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.584 3.497 2.842 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.458 0.516 2.523 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.594 1.235 3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.431 2.112 3.379 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.167 0.520 4.063 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.459 2.232 5.827 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.884 1.471 5.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.841 3.918 6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.875 3.354 4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.382 4.065 4.552 1.00 0.00 H new ATOM 468 N THR A 33 -5.740 1.561 -0.082 1.00 0.00 N ATOM 469 CA THR A 33 -4.976 0.550 -0.801 1.00 0.00 C ATOM 470 C THR A 33 -5.011 -0.788 -0.070 1.00 0.00 C ATOM 471 O THR A 33 -5.095 -0.833 1.157 1.00 0.00 O ATOM 472 CB THR A 33 -3.509 0.981 -0.988 1.00 0.00 C ATOM 473 OG1 THR A 33 -3.449 2.203 -1.733 1.00 0.00 O ATOM 474 CG2 THR A 33 -2.715 -0.098 -1.708 1.00 0.00 C ATOM 0 H THR A 33 -5.194 2.370 0.214 1.00 0.00 H new ATOM 0 HA THR A 33 -5.442 0.439 -1.780 1.00 0.00 H new ATOM 0 HB THR A 33 -3.070 1.135 -0.002 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.513 2.471 -1.846 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.682 0.229 -1.828 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.738 -1.018 -1.124 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.155 -0.280 -2.689 1.00 0.00 H new ATOM 482 N ILE A 34 -4.945 -1.875 -0.832 1.00 0.00 N ATOM 483 CA ILE A 34 -4.968 -3.213 -0.256 1.00 0.00 C ATOM 484 C ILE A 34 -3.869 -4.087 -0.852 1.00 0.00 C ATOM 485 O ILE A 34 -3.637 -4.073 -2.061 1.00 0.00 O ATOM 486 CB ILE A 34 -6.329 -3.899 -0.476 1.00 0.00 C ATOM 487 CG1 ILE A 34 -7.422 -3.176 0.314 1.00 0.00 C ATOM 488 CG2 ILE A 34 -6.256 -5.364 -0.073 1.00 0.00 C ATOM 489 CD1 ILE A 34 -8.813 -3.393 -0.242 1.00 0.00 C ATOM 0 H ILE A 34 -4.875 -1.855 -1.849 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.798 -3.098 0.814 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.578 -3.847 -1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.396 -3.516 1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.206 -2.108 0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.226 -5.835 -0.235 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.502 -5.870 -0.676 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.988 -5.439 0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.537 -2.852 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.856 -3.027 -1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.049 -4.457 -0.226 1.00 0.00 H new ATOM 501 N PHE A 35 -3.196 -4.848 0.005 1.00 0.00 N ATOM 502 CA PHE A 35 -2.122 -5.729 -0.436 1.00 0.00 C ATOM 503 C PHE A 35 -2.400 -7.173 -0.028 1.00 0.00 C ATOM 504 O PHE A 35 -2.315 -7.524 1.149 1.00 0.00 O ATOM 505 CB PHE A 35 -0.784 -5.271 0.148 1.00 0.00 C ATOM 506 CG PHE A 35 -0.201 -4.077 -0.552 1.00 0.00 C ATOM 507 CD1 PHE A 35 0.462 -4.222 -1.760 1.00 0.00 C ATOM 508 CD2 PHE A 35 -0.317 -2.810 -0.004 1.00 0.00 C ATOM 509 CE1 PHE A 35 1.000 -3.125 -2.407 1.00 0.00 C ATOM 510 CE2 PHE A 35 0.219 -1.709 -0.646 1.00 0.00 C ATOM 511 CZ PHE A 35 0.877 -1.867 -1.850 1.00 0.00 C ATOM 0 H PHE A 35 -3.376 -4.872 1.009 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.071 -5.681 -1.524 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.920 -5.033 1.203 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.073 -6.095 0.096 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.560 -5.203 -2.201 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.832 -2.681 0.936 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.516 -3.252 -3.347 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.123 -0.727 -0.207 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.295 -1.009 -2.355 1.00 0.00 H new ATOM 521 N ALA A 36 -2.733 -8.006 -1.009 1.00 0.00 N ATOM 522 CA ALA A 36 -3.022 -9.411 -0.753 1.00 0.00 C ATOM 523 C ALA A 36 -1.794 -10.279 -1.004 1.00 0.00 C ATOM 524 O ALA A 36 -1.254 -10.302 -2.110 1.00 0.00 O ATOM 525 CB ALA A 36 -4.186 -9.876 -1.616 1.00 0.00 C ATOM 0 H ALA A 36 -2.809 -7.731 -1.988 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.298 -9.514 0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.391 -10.927 -1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.071 -9.283 -1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.931 -9.751 -2.668 1.00 0.00 H new ATOM 531 N TYR A 37 -1.358 -10.992 0.028 1.00 0.00 N ATOM 532 CA TYR A 37 -0.191 -11.859 -0.080 1.00 0.00 C ATOM 533 C TYR A 37 -0.606 -13.326 -0.132 1.00 0.00 C ATOM 534 O TYR A 37 -0.684 -13.999 0.896 1.00 0.00 O ATOM 535 CB TYR A 37 0.755 -11.627 1.099 1.00 0.00 C ATOM 536 CG TYR A 37 2.066 -12.372 0.980 1.00 0.00 C ATOM 537 CD1 TYR A 37 2.886 -12.201 -0.129 1.00 0.00 C ATOM 538 CD2 TYR A 37 2.483 -13.247 1.975 1.00 0.00 C ATOM 539 CE1 TYR A 37 4.084 -12.880 -0.242 1.00 0.00 C ATOM 540 CE2 TYR A 37 3.680 -13.929 1.871 1.00 0.00 C ATOM 541 CZ TYR A 37 4.476 -13.742 0.760 1.00 0.00 C ATOM 542 OH TYR A 37 5.669 -14.421 0.652 1.00 0.00 O ATOM 0 H TYR A 37 -1.795 -10.987 0.949 1.00 0.00 H new ATOM 0 HA TYR A 37 0.328 -11.613 -1.007 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.960 -10.560 1.185 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.256 -11.931 2.019 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.582 -11.526 -0.915 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.861 -13.397 2.845 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.710 -12.736 -1.110 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.991 -14.604 2.655 1.00 0.00 H new ATOM 0 HH TYR A 37 5.797 -14.986 1.442 1.00 0.00 H new ATOM 552 N PHE A 38 -0.870 -13.817 -1.339 1.00 0.00 N ATOM 553 CA PHE A 38 -1.278 -15.205 -1.527 1.00 0.00 C ATOM 554 C PHE A 38 -0.082 -16.144 -1.401 1.00 0.00 C ATOM 555 O PHE A 38 0.769 -16.206 -2.288 1.00 0.00 O ATOM 556 CB PHE A 38 -1.938 -15.383 -2.896 1.00 0.00 C ATOM 557 CG PHE A 38 -2.940 -14.312 -3.222 1.00 0.00 C ATOM 558 CD1 PHE A 38 -4.196 -14.319 -2.638 1.00 0.00 C ATOM 559 CD2 PHE A 38 -2.625 -13.299 -4.114 1.00 0.00 C ATOM 560 CE1 PHE A 38 -5.120 -13.335 -2.935 1.00 0.00 C ATOM 561 CE2 PHE A 38 -3.545 -12.312 -4.415 1.00 0.00 C ATOM 562 CZ PHE A 38 -4.794 -12.331 -3.826 1.00 0.00 C ATOM 0 H PHE A 38 -0.809 -13.275 -2.201 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.999 -15.455 -0.748 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.165 -15.393 -3.665 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.432 -16.354 -2.929 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.456 -15.103 -1.942 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.650 -13.281 -4.579 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.095 -13.351 -2.471 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.287 -11.527 -5.110 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.515 -11.562 -4.062 1.00 0.00 H new ATOM 572 N SER A 39 -0.025 -16.874 -0.291 1.00 0.00 N ATOM 573 CA SER A 39 1.067 -17.808 -0.045 1.00 0.00 C ATOM 574 C SER A 39 0.593 -18.989 0.795 1.00 0.00 C ATOM 575 O SER A 39 -0.270 -18.844 1.659 1.00 0.00 O ATOM 576 CB SER A 39 2.224 -17.097 0.660 1.00 0.00 C ATOM 577 OG SER A 39 1.799 -16.519 1.881 1.00 0.00 O ATOM 0 H SER A 39 -0.723 -16.836 0.452 1.00 0.00 H new ATOM 0 HA SER A 39 1.414 -18.186 -1.007 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.029 -17.807 0.851 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.630 -16.322 0.009 1.00 0.00 H new ATOM 0 HG SER A 39 2.209 -15.635 1.985 1.00 0.00 H new ATOM 583 N GLY A 40 1.166 -20.161 0.535 1.00 0.00 N ATOM 584 CA GLY A 40 0.790 -21.351 1.275 1.00 0.00 C ATOM 585 C GLY A 40 0.589 -21.076 2.752 1.00 0.00 C ATOM 586 O GLY A 40 1.131 -20.112 3.290 1.00 0.00 O ATOM 0 H GLY A 40 1.884 -20.307 -0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.130 -21.760 0.856 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.562 -22.111 1.152 1.00 0.00 H new ATOM 590 N SER A 41 -0.196 -21.925 3.408 1.00 0.00 N ATOM 591 CA SER A 41 -0.472 -21.766 4.831 1.00 0.00 C ATOM 592 C SER A 41 0.754 -22.122 5.666 1.00 0.00 C ATOM 593 O SER A 41 1.657 -22.817 5.200 1.00 0.00 O ATOM 594 CB SER A 41 -1.657 -22.642 5.244 1.00 0.00 C ATOM 595 OG SER A 41 -2.832 -22.273 4.543 1.00 0.00 O ATOM 0 H SER A 41 -0.652 -22.729 2.977 1.00 0.00 H new ATOM 0 HA SER A 41 -0.722 -20.721 5.012 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.426 -23.689 5.047 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.825 -22.549 6.317 1.00 0.00 H new ATOM 0 HG SER A 41 -3.043 -22.958 3.874 1.00 0.00 H new ATOM 601 N LYS A 42 0.778 -21.642 6.905 1.00 0.00 N ATOM 602 CA LYS A 42 1.891 -21.909 7.808 1.00 0.00 C ATOM 603 C LYS A 42 1.642 -23.177 8.618 1.00 0.00 C ATOM 604 O LYS A 42 0.502 -23.489 8.965 1.00 0.00 O ATOM 605 CB LYS A 42 2.106 -20.723 8.751 1.00 0.00 C ATOM 606 CG LYS A 42 2.446 -19.429 8.032 1.00 0.00 C ATOM 607 CD LYS A 42 2.584 -18.270 9.005 1.00 0.00 C ATOM 608 CE LYS A 42 1.228 -17.800 9.508 1.00 0.00 C ATOM 609 NZ LYS A 42 1.282 -16.406 10.028 1.00 0.00 N ATOM 0 H LYS A 42 0.039 -21.066 7.307 1.00 0.00 H new ATOM 0 HA LYS A 42 2.788 -22.054 7.206 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.204 -20.573 9.344 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.909 -20.964 9.447 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.377 -19.553 7.478 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.669 -19.202 7.302 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.201 -18.575 9.850 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.099 -17.443 8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.500 -17.858 8.698 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.881 -18.468 10.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.338 -16.123 10.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.957 -16.356 10.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.588 -15.764 9.269 1.00 0.00 H new ATOM 623 N ASP A 43 2.713 -23.903 8.917 1.00 0.00 N ATOM 624 CA ASP A 43 2.611 -25.136 9.689 1.00 0.00 C ATOM 625 C ASP A 43 2.649 -24.844 11.186 1.00 0.00 C ATOM 626 O ASP A 43 2.662 -23.686 11.605 1.00 0.00 O ATOM 627 CB ASP A 43 3.743 -26.093 9.314 1.00 0.00 C ATOM 628 CG ASP A 43 5.111 -25.459 9.465 1.00 0.00 C ATOM 629 OD1 ASP A 43 5.324 -24.738 10.462 1.00 0.00 O ATOM 630 OD2 ASP A 43 5.970 -25.683 8.585 1.00 0.00 O ATOM 0 H ASP A 43 3.663 -23.659 8.636 1.00 0.00 H new ATOM 0 HA ASP A 43 1.656 -25.606 9.453 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.686 -26.982 9.942 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.610 -26.422 8.283 1.00 0.00 H new ATOM 635 N THR A 44 2.667 -25.903 11.990 1.00 0.00 N ATOM 636 CA THR A 44 2.702 -25.762 13.440 1.00 0.00 C ATOM 637 C THR A 44 3.884 -24.906 13.881 1.00 0.00 C ATOM 638 O THR A 44 3.766 -24.095 14.799 1.00 0.00 O ATOM 639 CB THR A 44 2.788 -27.133 14.136 1.00 0.00 C ATOM 640 OG1 THR A 44 3.990 -27.806 13.747 1.00 0.00 O ATOM 641 CG2 THR A 44 1.583 -27.994 13.786 1.00 0.00 C ATOM 0 H THR A 44 2.658 -26.868 11.661 1.00 0.00 H new ATOM 0 HA THR A 44 1.773 -25.272 13.732 1.00 0.00 H new ATOM 0 HB THR A 44 2.797 -26.968 15.213 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.038 -28.676 14.195 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.666 -28.957 14.289 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.671 -27.493 14.110 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.548 -28.150 12.708 1.00 0.00 H new ATOM 649 N GLU A 45 5.022 -25.092 13.220 1.00 0.00 N ATOM 650 CA GLU A 45 6.226 -24.336 13.545 1.00 0.00 C ATOM 651 C GLU A 45 6.056 -22.862 13.186 1.00 0.00 C ATOM 652 O GLU A 45 6.730 -21.995 13.741 1.00 0.00 O ATOM 653 CB GLU A 45 7.434 -24.916 12.808 1.00 0.00 C ATOM 654 CG GLU A 45 8.746 -24.736 13.553 1.00 0.00 C ATOM 655 CD GLU A 45 8.946 -25.774 14.640 1.00 0.00 C ATOM 656 OE1 GLU A 45 8.464 -26.913 14.468 1.00 0.00 O ATOM 657 OE2 GLU A 45 9.584 -25.448 15.663 1.00 0.00 O ATOM 0 H GLU A 45 5.136 -25.759 12.457 1.00 0.00 H new ATOM 0 HA GLU A 45 6.394 -24.414 14.619 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.267 -25.979 12.635 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.514 -24.442 11.830 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.573 -24.793 12.845 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.774 -23.741 13.996 1.00 0.00 H new ATOM 664 N GLY A 46 5.151 -22.587 12.252 1.00 0.00 N ATOM 665 CA GLY A 46 4.909 -21.219 11.833 1.00 0.00 C ATOM 666 C GLY A 46 5.635 -20.868 10.550 1.00 0.00 C ATOM 667 O GLY A 46 6.113 -19.746 10.384 1.00 0.00 O ATOM 0 H GLY A 46 4.581 -23.287 11.778 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.838 -21.069 11.694 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.226 -20.539 12.624 1.00 0.00 H new ATOM 671 N LYS A 47 5.719 -21.831 9.638 1.00 0.00 N ATOM 672 CA LYS A 47 6.392 -21.620 8.362 1.00 0.00 C ATOM 673 C LYS A 47 5.666 -22.350 7.236 1.00 0.00 C ATOM 674 O LYS A 47 5.179 -23.465 7.420 1.00 0.00 O ATOM 675 CB LYS A 47 7.843 -22.099 8.442 1.00 0.00 C ATOM 676 CG LYS A 47 7.985 -23.611 8.456 1.00 0.00 C ATOM 677 CD LYS A 47 9.432 -24.038 8.279 1.00 0.00 C ATOM 678 CE LYS A 47 10.148 -24.151 9.617 1.00 0.00 C ATOM 679 NZ LYS A 47 11.252 -25.148 9.573 1.00 0.00 N ATOM 0 H LYS A 47 5.329 -22.766 9.759 1.00 0.00 H new ATOM 0 HA LYS A 47 6.380 -20.552 8.146 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.396 -21.698 7.593 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.302 -21.691 9.342 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.601 -24.004 9.397 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.378 -24.042 7.660 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.469 -24.998 7.763 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.951 -23.317 7.647 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.549 -23.177 9.897 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.433 -24.435 10.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.714 -25.195 10.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.866 -26.083 9.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.948 -24.864 8.854 1.00 0.00 H new ATOM 693 N SER A 48 5.599 -21.714 6.071 1.00 0.00 N ATOM 694 CA SER A 48 4.930 -22.302 4.917 1.00 0.00 C ATOM 695 C SER A 48 5.773 -23.421 4.312 1.00 0.00 C ATOM 696 O SER A 48 7.001 -23.338 4.279 1.00 0.00 O ATOM 697 CB SER A 48 4.652 -21.230 3.861 1.00 0.00 C ATOM 698 OG SER A 48 3.650 -20.329 4.300 1.00 0.00 O ATOM 0 H SER A 48 6.000 -20.792 5.901 1.00 0.00 H new ATOM 0 HA SER A 48 3.983 -22.725 5.253 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.569 -20.682 3.645 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.337 -21.704 2.931 1.00 0.00 H new ATOM 0 HG SER A 48 2.843 -20.447 3.757 1.00 0.00 H new ATOM 704 N TRP A 49 5.105 -24.465 3.836 1.00 0.00 N ATOM 705 CA TRP A 49 5.792 -25.601 3.232 1.00 0.00 C ATOM 706 C TRP A 49 6.905 -25.132 2.301 1.00 0.00 C ATOM 707 O TRP A 49 7.948 -25.777 2.192 1.00 0.00 O ATOM 708 CB TRP A 49 4.799 -26.473 2.463 1.00 0.00 C ATOM 709 CG TRP A 49 3.718 -25.687 1.785 1.00 0.00 C ATOM 710 CD1 TRP A 49 2.514 -25.322 2.316 1.00 0.00 C ATOM 711 CD2 TRP A 49 3.744 -25.169 0.450 1.00 0.00 C ATOM 712 NE1 TRP A 49 1.789 -24.610 1.392 1.00 0.00 N ATOM 713 CE2 TRP A 49 2.521 -24.501 0.239 1.00 0.00 C ATOM 714 CE3 TRP A 49 4.680 -25.204 -0.587 1.00 0.00 C ATOM 715 CZ2 TRP A 49 2.214 -23.876 -0.966 1.00 0.00 C ATOM 716 CZ3 TRP A 49 4.373 -24.582 -1.782 1.00 0.00 C ATOM 717 CH2 TRP A 49 3.149 -23.925 -1.964 1.00 0.00 C ATOM 0 H TRP A 49 4.089 -24.549 3.856 1.00 0.00 H new ATOM 0 HA TRP A 49 6.239 -26.191 4.032 1.00 0.00 H new ATOM 0 HB2 TRP A 49 5.340 -27.053 1.715 1.00 0.00 H new ATOM 0 HB3 TRP A 49 4.343 -27.185 3.151 1.00 0.00 H new ATOM 0 HD1 TRP A 49 2.181 -25.558 3.316 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.856 -24.225 1.540 1.00 0.00 H new ATOM 0 HE3 TRP A 49 5.626 -25.708 -0.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 1.271 -23.370 -1.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 5.089 -24.603 -2.590 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.939 -23.448 -2.910 1.00 0.00 H new ATOM 728 N CYS A 50 6.676 -24.008 1.632 1.00 0.00 N ATOM 729 CA CYS A 50 7.660 -23.454 0.709 1.00 0.00 C ATOM 730 C CYS A 50 8.668 -22.580 1.449 1.00 0.00 C ATOM 731 O CYS A 50 8.310 -21.747 2.283 1.00 0.00 O ATOM 732 CB CYS A 50 6.964 -22.638 -0.382 1.00 0.00 C ATOM 733 SG CYS A 50 8.043 -22.167 -1.753 1.00 0.00 S ATOM 0 H CYS A 50 5.818 -23.462 1.711 1.00 0.00 H new ATOM 0 HA CYS A 50 8.195 -24.283 0.247 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.127 -23.216 -0.774 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.547 -21.735 0.065 1.00 0.00 H new ATOM 0 HG CYS A 50 7.363 -21.483 -2.625 1.00 0.00 H new ATOM 739 N PRO A 51 9.958 -22.774 1.140 1.00 0.00 N ATOM 740 CA PRO A 51 11.045 -22.014 1.765 1.00 0.00 C ATOM 741 C PRO A 51 11.058 -20.554 1.327 1.00 0.00 C ATOM 742 O PRO A 51 11.122 -19.647 2.157 1.00 0.00 O ATOM 743 CB PRO A 51 12.306 -22.731 1.276 1.00 0.00 C ATOM 744 CG PRO A 51 11.903 -23.374 -0.006 1.00 0.00 C ATOM 745 CD PRO A 51 10.456 -23.750 0.156 1.00 0.00 C ATOM 0 HA PRO A 51 10.949 -21.984 2.850 1.00 0.00 H new ATOM 0 HB2 PRO A 51 13.127 -22.030 1.126 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.647 -23.471 2.000 1.00 0.00 H new ATOM 0 HG2 PRO A 51 12.037 -22.690 -0.844 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.514 -24.253 -0.211 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.915 -23.681 -0.788 1.00 0.00 H new ATOM 0 HD3 PRO A 51 10.344 -24.774 0.513 1.00 0.00 H new ATOM 753 N ASP A 52 10.997 -20.333 0.018 1.00 0.00 N ATOM 754 CA ASP A 52 11.000 -18.982 -0.530 1.00 0.00 C ATOM 755 C ASP A 52 10.075 -18.069 0.268 1.00 0.00 C ATOM 756 O ASP A 52 10.516 -17.072 0.842 1.00 0.00 O ATOM 757 CB ASP A 52 10.572 -19.004 -1.999 1.00 0.00 C ATOM 758 CG ASP A 52 11.695 -19.431 -2.923 1.00 0.00 C ATOM 759 OD1 ASP A 52 12.767 -18.791 -2.890 1.00 0.00 O ATOM 760 OD2 ASP A 52 11.503 -20.406 -3.679 1.00 0.00 O ATOM 0 H ASP A 52 10.945 -21.072 -0.683 1.00 0.00 H new ATOM 0 HA ASP A 52 12.015 -18.591 -0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.729 -19.684 -2.118 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.225 -18.012 -2.288 1.00 0.00 H new ATOM 765 N CYS A 53 8.794 -18.415 0.300 1.00 0.00 N ATOM 766 CA CYS A 53 7.806 -17.626 1.027 1.00 0.00 C ATOM 767 C CYS A 53 8.328 -17.239 2.407 1.00 0.00 C ATOM 768 O CYS A 53 8.291 -16.070 2.792 1.00 0.00 O ATOM 769 CB CYS A 53 6.498 -18.407 1.164 1.00 0.00 C ATOM 770 SG CYS A 53 5.484 -17.907 2.575 1.00 0.00 S ATOM 0 H CYS A 53 8.414 -19.237 -0.169 1.00 0.00 H new ATOM 0 HA CYS A 53 7.618 -16.714 0.460 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.916 -18.284 0.250 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.729 -19.468 1.254 1.00 0.00 H new ATOM 0 HG CYS A 53 4.511 -18.754 2.732 1.00 0.00 H new ATOM 776 N VAL A 54 8.814 -18.229 3.149 1.00 0.00 N ATOM 777 CA VAL A 54 9.343 -17.993 4.487 1.00 0.00 C ATOM 778 C VAL A 54 10.476 -16.973 4.458 1.00 0.00 C ATOM 779 O VAL A 54 10.678 -16.229 5.417 1.00 0.00 O ATOM 780 CB VAL A 54 9.857 -19.297 5.126 1.00 0.00 C ATOM 781 CG1 VAL A 54 10.434 -19.024 6.507 1.00 0.00 C ATOM 782 CG2 VAL A 54 8.743 -20.330 5.198 1.00 0.00 C ATOM 0 H VAL A 54 8.852 -19.202 2.846 1.00 0.00 H new ATOM 0 HA VAL A 54 8.521 -17.602 5.088 1.00 0.00 H new ATOM 0 HB VAL A 54 10.653 -19.699 4.500 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.792 -19.957 6.943 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.263 -18.321 6.423 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.661 -18.598 7.147 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.124 -21.245 5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.923 -19.940 5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.382 -20.547 4.193 1.00 0.00 H new ATOM 792 N GLU A 55 11.211 -16.944 3.351 1.00 0.00 N ATOM 793 CA GLU A 55 12.324 -16.015 3.197 1.00 0.00 C ATOM 794 C GLU A 55 11.852 -14.697 2.591 1.00 0.00 C ATOM 795 O GLU A 55 12.552 -13.686 2.654 1.00 0.00 O ATOM 796 CB GLU A 55 13.415 -16.632 2.319 1.00 0.00 C ATOM 797 CG GLU A 55 14.703 -15.827 2.294 1.00 0.00 C ATOM 798 CD GLU A 55 15.628 -16.173 3.445 1.00 0.00 C ATOM 799 OE1 GLU A 55 15.867 -17.376 3.675 1.00 0.00 O ATOM 800 OE2 GLU A 55 16.114 -15.238 4.116 1.00 0.00 O ATOM 0 H GLU A 55 11.056 -17.553 2.548 1.00 0.00 H new ATOM 0 HA GLU A 55 12.735 -15.813 4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.632 -17.638 2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 55 13.038 -16.730 1.301 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.220 -16.004 1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 55 14.464 -14.764 2.331 1.00 0.00 H new ATOM 807 N ALA A 56 10.661 -14.716 2.002 1.00 0.00 N ATOM 808 CA ALA A 56 10.094 -13.522 1.385 1.00 0.00 C ATOM 809 C ALA A 56 9.210 -12.763 2.369 1.00 0.00 C ATOM 810 O ALA A 56 9.036 -11.551 2.252 1.00 0.00 O ATOM 811 CB ALA A 56 9.302 -13.897 0.141 1.00 0.00 C ATOM 0 H ALA A 56 10.070 -15.545 1.939 1.00 0.00 H new ATOM 0 HA ALA A 56 10.916 -12.867 1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.884 -12.997 -0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.960 -14.389 -0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.493 -14.574 0.415 1.00 0.00 H new ATOM 817 N GLU A 57 8.654 -13.485 3.337 1.00 0.00 N ATOM 818 CA GLU A 57 7.787 -12.878 4.340 1.00 0.00 C ATOM 819 C GLU A 57 8.470 -11.683 4.998 1.00 0.00 C ATOM 820 O GLU A 57 7.921 -10.583 5.068 1.00 0.00 O ATOM 821 CB GLU A 57 7.400 -13.908 5.403 1.00 0.00 C ATOM 822 CG GLU A 57 5.973 -13.759 5.904 1.00 0.00 C ATOM 823 CD GLU A 57 5.841 -12.705 6.985 1.00 0.00 C ATOM 824 OE1 GLU A 57 5.913 -11.503 6.653 1.00 0.00 O ATOM 825 OE2 GLU A 57 5.667 -13.080 8.163 1.00 0.00 O ATOM 0 H GLU A 57 8.788 -14.490 3.448 1.00 0.00 H new ATOM 0 HA GLU A 57 6.885 -12.528 3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.529 -14.909 4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.084 -13.821 6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.324 -13.500 5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.626 -14.717 6.292 1.00 0.00 H new ATOM 832 N PRO A 58 9.696 -11.902 5.494 1.00 0.00 N ATOM 833 CA PRO A 58 10.481 -10.856 6.156 1.00 0.00 C ATOM 834 C PRO A 58 10.960 -9.786 5.181 1.00 0.00 C ATOM 835 O PRO A 58 11.430 -8.724 5.590 1.00 0.00 O ATOM 836 CB PRO A 58 11.673 -11.621 6.738 1.00 0.00 C ATOM 837 CG PRO A 58 11.808 -12.826 5.873 1.00 0.00 C ATOM 838 CD PRO A 58 10.412 -13.188 5.446 1.00 0.00 C ATOM 0 HA PRO A 58 9.896 -10.319 6.903 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.579 -11.016 6.718 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.497 -11.898 7.777 1.00 0.00 H new ATOM 0 HG2 PRO A 58 12.439 -12.617 5.009 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.275 -13.647 6.417 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.397 -13.619 4.445 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.965 -13.922 6.116 1.00 0.00 H new ATOM 846 N VAL A 59 10.838 -10.072 3.888 1.00 0.00 N ATOM 847 CA VAL A 59 11.257 -9.133 2.854 1.00 0.00 C ATOM 848 C VAL A 59 10.111 -8.212 2.452 1.00 0.00 C ATOM 849 O VAL A 59 10.322 -7.036 2.154 1.00 0.00 O ATOM 850 CB VAL A 59 11.773 -9.869 1.604 1.00 0.00 C ATOM 851 CG1 VAL A 59 12.427 -8.891 0.640 1.00 0.00 C ATOM 852 CG2 VAL A 59 12.744 -10.972 1.998 1.00 0.00 C ATOM 0 H VAL A 59 10.452 -10.947 3.532 1.00 0.00 H new ATOM 0 HA VAL A 59 12.067 -8.538 3.276 1.00 0.00 H new ATOM 0 HB VAL A 59 10.924 -10.328 1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.786 -9.430 -0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.698 -8.141 0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.267 -8.401 1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 59 13.099 -11.482 1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.592 -10.538 2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.238 -11.688 2.646 1.00 0.00 H new ATOM 862 N ILE A 60 8.897 -8.754 2.445 1.00 0.00 N ATOM 863 CA ILE A 60 7.717 -7.980 2.080 1.00 0.00 C ATOM 864 C ILE A 60 7.273 -7.082 3.230 1.00 0.00 C ATOM 865 O ILE A 60 7.009 -5.895 3.037 1.00 0.00 O ATOM 866 CB ILE A 60 6.547 -8.895 1.676 1.00 0.00 C ATOM 867 CG1 ILE A 60 6.938 -9.762 0.477 1.00 0.00 C ATOM 868 CG2 ILE A 60 5.312 -8.066 1.357 1.00 0.00 C ATOM 869 CD1 ILE A 60 5.756 -10.397 -0.220 1.00 0.00 C ATOM 0 H ILE A 60 8.705 -9.726 2.688 1.00 0.00 H new ATOM 0 HA ILE A 60 7.995 -7.362 1.226 1.00 0.00 H new ATOM 0 HB ILE A 60 6.313 -9.552 2.514 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.487 -9.151 -0.240 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.616 -10.547 0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.493 -8.727 1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.024 -7.489 2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.532 -7.387 0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 60 6.108 -10.997 -1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.219 -11.035 0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.088 -9.618 -0.586 1.00 0.00 H new ATOM 881 N ARG A 61 7.193 -7.656 4.426 1.00 0.00 N ATOM 882 CA ARG A 61 6.780 -6.907 5.606 1.00 0.00 C ATOM 883 C ARG A 61 7.726 -5.737 5.866 1.00 0.00 C ATOM 884 O ARG A 61 7.315 -4.698 6.381 1.00 0.00 O ATOM 885 CB ARG A 61 6.739 -7.824 6.830 1.00 0.00 C ATOM 886 CG ARG A 61 5.710 -7.410 7.868 1.00 0.00 C ATOM 887 CD ARG A 61 5.157 -8.613 8.617 1.00 0.00 C ATOM 888 NE ARG A 61 3.967 -9.160 7.971 1.00 0.00 N ATOM 889 CZ ARG A 61 3.288 -10.200 8.442 1.00 0.00 C ATOM 890 NH1 ARG A 61 3.679 -10.801 9.557 1.00 0.00 N ATOM 891 NH2 ARG A 61 2.215 -10.640 7.798 1.00 0.00 N ATOM 0 H ARG A 61 7.409 -8.637 4.603 1.00 0.00 H new ATOM 0 HA ARG A 61 5.781 -6.511 5.423 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.524 -8.842 6.504 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.725 -7.840 7.295 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.165 -6.717 8.576 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.894 -6.877 7.380 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.924 -9.385 8.679 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.914 -8.323 9.639 1.00 0.00 H new ATOM 0 HE ARG A 61 3.639 -8.719 7.111 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.503 -10.465 10.055 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.156 -11.599 9.916 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.911 -10.180 6.940 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.694 -11.439 8.161 1.00 0.00 H new ATOM 905 N GLU A 62 8.993 -5.916 5.506 1.00 0.00 N ATOM 906 CA GLU A 62 9.996 -4.876 5.702 1.00 0.00 C ATOM 907 C GLU A 62 9.630 -3.614 4.926 1.00 0.00 C ATOM 908 O GLU A 62 9.549 -2.525 5.492 1.00 0.00 O ATOM 909 CB GLU A 62 11.374 -5.376 5.263 1.00 0.00 C ATOM 910 CG GLU A 62 12.068 -6.239 6.303 1.00 0.00 C ATOM 911 CD GLU A 62 12.765 -5.419 7.371 1.00 0.00 C ATOM 912 OE1 GLU A 62 13.226 -4.302 7.053 1.00 0.00 O ATOM 913 OE2 GLU A 62 12.850 -5.892 8.523 1.00 0.00 O ATOM 0 H GLU A 62 9.349 -6.770 5.078 1.00 0.00 H new ATOM 0 HA GLU A 62 10.027 -4.633 6.764 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.267 -5.948 4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.006 -4.518 5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.335 -6.894 6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.798 -6.881 5.809 1.00 0.00 H new ATOM 920 N GLY A 63 9.410 -3.770 3.624 1.00 0.00 N ATOM 921 CA GLY A 63 9.056 -2.636 2.790 1.00 0.00 C ATOM 922 C GLY A 63 7.753 -1.989 3.215 1.00 0.00 C ATOM 923 O GLY A 63 7.607 -0.768 3.148 1.00 0.00 O ATOM 0 H GLY A 63 9.471 -4.661 3.132 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.855 -1.896 2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.975 -2.963 1.753 1.00 0.00 H new ATOM 927 N LEU A 64 6.802 -2.807 3.651 1.00 0.00 N ATOM 928 CA LEU A 64 5.503 -2.308 4.088 1.00 0.00 C ATOM 929 C LEU A 64 5.665 -1.201 5.125 1.00 0.00 C ATOM 930 O LEU A 64 4.738 -0.433 5.380 1.00 0.00 O ATOM 931 CB LEU A 64 4.664 -3.448 4.669 1.00 0.00 C ATOM 932 CG LEU A 64 3.895 -4.298 3.657 1.00 0.00 C ATOM 933 CD1 LEU A 64 3.380 -5.570 4.312 1.00 0.00 C ATOM 934 CD2 LEU A 64 2.745 -3.502 3.058 1.00 0.00 C ATOM 0 H LEU A 64 6.906 -3.820 3.711 1.00 0.00 H new ATOM 0 HA LEU A 64 4.990 -1.895 3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.323 -4.104 5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.950 -3.024 5.374 1.00 0.00 H new ATOM 0 HG LEU A 64 4.576 -4.577 2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.835 -6.163 3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.221 -6.149 4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.714 -5.311 5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.208 -4.122 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.064 -3.193 3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.138 -2.619 2.553 1.00 0.00 H new ATOM 946 N LYS A 65 6.851 -1.124 5.719 1.00 0.00 N ATOM 947 CA LYS A 65 7.138 -0.109 6.726 1.00 0.00 C ATOM 948 C LYS A 65 7.535 1.210 6.071 1.00 0.00 C ATOM 949 O LYS A 65 7.249 2.286 6.598 1.00 0.00 O ATOM 950 CB LYS A 65 8.256 -0.586 7.656 1.00 0.00 C ATOM 951 CG LYS A 65 7.866 -1.775 8.517 1.00 0.00 C ATOM 952 CD LYS A 65 8.600 -1.765 9.847 1.00 0.00 C ATOM 953 CE LYS A 65 7.842 -0.967 10.897 1.00 0.00 C ATOM 954 NZ LYS A 65 8.228 0.471 10.886 1.00 0.00 N ATOM 0 H LYS A 65 7.629 -1.753 5.520 1.00 0.00 H new ATOM 0 HA LYS A 65 6.232 0.054 7.310 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.127 -0.852 7.057 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.555 0.238 8.304 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.791 -1.760 8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.089 -2.700 7.984 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.737 -2.789 10.196 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.594 -1.338 9.712 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.771 -1.057 10.718 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.037 -1.388 11.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.016 0.894 11.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.246 0.556 10.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.691 0.969 10.147 1.00 0.00 H new ATOM 968 N HIS A 66 8.194 1.120 4.920 1.00 0.00 N ATOM 969 CA HIS A 66 8.628 2.308 4.193 1.00 0.00 C ATOM 970 C HIS A 66 7.603 2.701 3.134 1.00 0.00 C ATOM 971 O HIS A 66 7.931 3.372 2.156 1.00 0.00 O ATOM 972 CB HIS A 66 9.987 2.061 3.537 1.00 0.00 C ATOM 973 CG HIS A 66 11.026 1.550 4.487 1.00 0.00 C ATOM 974 ND1 HIS A 66 12.049 2.334 4.976 1.00 0.00 N ATOM 975 CD2 HIS A 66 11.195 0.326 5.039 1.00 0.00 C ATOM 976 CE1 HIS A 66 12.804 1.614 5.787 1.00 0.00 C ATOM 977 NE2 HIS A 66 12.307 0.391 5.842 1.00 0.00 N ATOM 0 H HIS A 66 8.439 0.238 4.471 1.00 0.00 H new ATOM 0 HA HIS A 66 8.720 3.127 4.906 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.865 1.344 2.725 1.00 0.00 H new ATOM 0 HB3 HIS A 66 10.340 2.991 3.091 1.00 0.00 H new ATOM 0 HD2 HIS A 66 10.571 -0.541 4.878 1.00 0.00 H new ATOM 0 HE1 HIS A 66 13.678 1.965 6.315 1.00 0.00 H new ATOM 0 HE2 HIS A 66 12.687 -0.380 6.392 1.00 0.00 H new ATOM 986 N VAL A 67 6.359 2.277 3.334 1.00 0.00 N ATOM 987 CA VAL A 67 5.285 2.584 2.397 1.00 0.00 C ATOM 988 C VAL A 67 4.877 4.050 2.491 1.00 0.00 C ATOM 989 O VAL A 67 4.843 4.629 3.577 1.00 0.00 O ATOM 990 CB VAL A 67 4.049 1.702 2.650 1.00 0.00 C ATOM 991 CG1 VAL A 67 3.419 2.036 3.994 1.00 0.00 C ATOM 992 CG2 VAL A 67 3.039 1.864 1.524 1.00 0.00 C ATOM 0 H VAL A 67 6.070 1.719 4.138 1.00 0.00 H new ATOM 0 HA VAL A 67 5.669 2.379 1.398 1.00 0.00 H new ATOM 0 HB VAL A 67 4.368 0.660 2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.547 1.402 4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.145 1.863 4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.114 3.082 4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.172 1.233 1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.724 2.906 1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.497 1.569 0.580 1.00 0.00 H new ATOM 1002 N THR A 68 4.568 4.647 1.344 1.00 0.00 N ATOM 1003 CA THR A 68 4.162 6.046 1.296 1.00 0.00 C ATOM 1004 C THR A 68 2.673 6.178 0.997 1.00 0.00 C ATOM 1005 O THR A 68 2.248 7.113 0.319 1.00 0.00 O ATOM 1006 CB THR A 68 4.959 6.826 0.233 1.00 0.00 C ATOM 1007 OG1 THR A 68 4.526 6.447 -1.079 1.00 0.00 O ATOM 1008 CG2 THR A 68 6.451 6.565 0.375 1.00 0.00 C ATOM 0 H THR A 68 4.591 4.183 0.436 1.00 0.00 H new ATOM 0 HA THR A 68 4.370 6.469 2.279 1.00 0.00 H new ATOM 0 HB THR A 68 4.777 7.890 0.383 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.303 6.196 -1.620 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.993 7.126 -0.386 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.783 6.881 1.364 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.648 5.500 0.249 1.00 0.00 H new ATOM 1016 N GLU A 69 1.887 5.235 1.506 1.00 0.00 N ATOM 1017 CA GLU A 69 0.444 5.246 1.292 1.00 0.00 C ATOM 1018 C GLU A 69 -0.265 4.366 2.317 1.00 0.00 C ATOM 1019 O GLU A 69 0.129 3.223 2.549 1.00 0.00 O ATOM 1020 CB GLU A 69 0.113 4.768 -0.123 1.00 0.00 C ATOM 1021 CG GLU A 69 0.295 3.273 -0.319 1.00 0.00 C ATOM 1022 CD GLU A 69 0.479 2.893 -1.775 1.00 0.00 C ATOM 1023 OE1 GLU A 69 -0.067 3.602 -2.646 1.00 0.00 O ATOM 1024 OE2 GLU A 69 1.167 1.886 -2.044 1.00 0.00 O ATOM 0 H GLU A 69 2.224 4.454 2.069 1.00 0.00 H new ATOM 0 HA GLU A 69 0.092 6.270 1.414 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.918 5.033 -0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.746 5.299 -0.834 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.161 2.938 0.252 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.573 2.750 0.082 1.00 0.00 H new ATOM 1031 N ASP A 70 -1.313 4.908 2.928 1.00 0.00 N ATOM 1032 CA ASP A 70 -2.078 4.173 3.929 1.00 0.00 C ATOM 1033 C ASP A 70 -2.755 2.955 3.308 1.00 0.00 C ATOM 1034 O ASP A 70 -3.811 3.069 2.685 1.00 0.00 O ATOM 1035 CB ASP A 70 -3.127 5.083 4.569 1.00 0.00 C ATOM 1036 CG ASP A 70 -2.586 6.467 4.870 1.00 0.00 C ATOM 1037 OD1 ASP A 70 -1.478 6.561 5.437 1.00 0.00 O ATOM 1038 OD2 ASP A 70 -3.272 7.458 4.539 1.00 0.00 O ATOM 0 H ASP A 70 -1.652 5.853 2.748 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.387 3.830 4.699 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.985 5.168 3.902 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.485 4.627 5.492 1.00 0.00 H new ATOM 1043 N CYS A 71 -2.140 1.790 3.483 1.00 0.00 N ATOM 1044 CA CYS A 71 -2.682 0.550 2.938 1.00 0.00 C ATOM 1045 C CYS A 71 -2.974 -0.450 4.051 1.00 0.00 C ATOM 1046 O CYS A 71 -2.632 -0.222 5.212 1.00 0.00 O ATOM 1047 CB CYS A 71 -1.705 -0.059 1.932 1.00 0.00 C ATOM 1048 SG CYS A 71 -0.233 -0.793 2.683 1.00 0.00 S ATOM 0 H CYS A 71 -1.266 1.678 3.998 1.00 0.00 H new ATOM 0 HA CYS A 71 -3.617 0.783 2.429 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -2.225 -0.824 1.354 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.394 0.715 1.230 1.00 0.00 H new ATOM 0 HG CYS A 71 0.271 -1.678 1.875 1.00 0.00 H new ATOM 1054 N VAL A 72 -3.611 -1.560 3.691 1.00 0.00 N ATOM 1055 CA VAL A 72 -3.951 -2.596 4.659 1.00 0.00 C ATOM 1056 C VAL A 72 -3.528 -3.973 4.160 1.00 0.00 C ATOM 1057 O VAL A 72 -4.252 -4.620 3.402 1.00 0.00 O ATOM 1058 CB VAL A 72 -5.461 -2.611 4.958 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -5.808 -3.755 5.899 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -5.902 -1.277 5.542 1.00 0.00 C ATOM 0 H VAL A 72 -3.902 -1.765 2.735 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.410 -2.363 5.576 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.997 -2.767 4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.880 -3.749 6.099 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.530 -4.703 5.438 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.264 -3.634 6.836 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.972 -1.306 5.747 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.360 -1.088 6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.690 -0.480 4.829 1.00 0.00 H new ATOM 1070 N PHE A 73 -2.353 -4.418 4.592 1.00 0.00 N ATOM 1071 CA PHE A 73 -1.833 -5.719 4.189 1.00 0.00 C ATOM 1072 C PHE A 73 -2.824 -6.829 4.527 1.00 0.00 C ATOM 1073 O PHE A 73 -3.548 -6.748 5.519 1.00 0.00 O ATOM 1074 CB PHE A 73 -0.492 -5.991 4.875 1.00 0.00 C ATOM 1075 CG PHE A 73 0.279 -7.123 4.257 1.00 0.00 C ATOM 1076 CD1 PHE A 73 0.646 -7.080 2.922 1.00 0.00 C ATOM 1077 CD2 PHE A 73 0.636 -8.228 5.012 1.00 0.00 C ATOM 1078 CE1 PHE A 73 1.355 -8.121 2.351 1.00 0.00 C ATOM 1079 CE2 PHE A 73 1.345 -9.271 4.446 1.00 0.00 C ATOM 1080 CZ PHE A 73 1.706 -9.217 3.114 1.00 0.00 C ATOM 0 H PHE A 73 -1.743 -3.897 5.221 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.685 -5.704 3.109 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.115 -5.086 4.840 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.670 -6.215 5.927 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.376 -6.225 2.321 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.357 -8.275 6.054 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.634 -8.077 1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.616 -10.128 5.045 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.261 -10.030 2.670 1.00 0.00 H new ATOM 1090 N ILE A 74 -2.850 -7.864 3.694 1.00 0.00 N ATOM 1091 CA ILE A 74 -3.752 -8.990 3.904 1.00 0.00 C ATOM 1092 C ILE A 74 -3.043 -10.316 3.652 1.00 0.00 C ATOM 1093 O ILE A 74 -2.792 -10.690 2.506 1.00 0.00 O ATOM 1094 CB ILE A 74 -4.988 -8.900 2.990 1.00 0.00 C ATOM 1095 CG1 ILE A 74 -5.662 -7.535 3.141 1.00 0.00 C ATOM 1096 CG2 ILE A 74 -5.967 -10.019 3.312 1.00 0.00 C ATOM 1097 CD1 ILE A 74 -6.877 -7.360 2.256 1.00 0.00 C ATOM 0 H ILE A 74 -2.257 -7.946 2.868 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.076 -8.945 4.944 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.666 -9.013 1.955 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.957 -7.398 4.181 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.938 -6.754 2.909 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.835 -9.942 2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.481 -10.983 3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.287 -9.935 4.351 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.304 -6.370 2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -6.584 -7.465 1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.619 -8.119 2.503 1.00 0.00 H new ATOM 1109 N TYR A 75 -2.723 -11.024 4.730 1.00 0.00 N ATOM 1110 CA TYR A 75 -2.042 -12.309 4.626 1.00 0.00 C ATOM 1111 C TYR A 75 -3.035 -13.430 4.333 1.00 0.00 C ATOM 1112 O TYR A 75 -3.564 -14.061 5.248 1.00 0.00 O ATOM 1113 CB TYR A 75 -1.281 -12.613 5.917 1.00 0.00 C ATOM 1114 CG TYR A 75 -0.163 -13.616 5.740 1.00 0.00 C ATOM 1115 CD1 TYR A 75 -0.434 -14.929 5.376 1.00 0.00 C ATOM 1116 CD2 TYR A 75 1.163 -13.251 5.938 1.00 0.00 C ATOM 1117 CE1 TYR A 75 0.584 -15.849 5.214 1.00 0.00 C ATOM 1118 CE2 TYR A 75 2.187 -14.164 5.776 1.00 0.00 C ATOM 1119 CZ TYR A 75 1.892 -15.462 5.414 1.00 0.00 C ATOM 1120 OH TYR A 75 2.909 -16.375 5.254 1.00 0.00 O ATOM 0 H TYR A 75 -2.924 -10.730 5.686 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.334 -12.250 3.800 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.866 -11.685 6.311 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.982 -12.991 6.662 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.457 -15.236 5.217 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.397 -12.236 6.223 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.356 -16.866 4.932 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.213 -13.863 5.932 1.00 0.00 H new ATOM 0 HH TYR A 75 3.769 -15.941 5.431 1.00 0.00 H new ATOM 1130 N CYS A 76 -3.282 -13.671 3.050 1.00 0.00 N ATOM 1131 CA CYS A 76 -4.212 -14.716 2.634 1.00 0.00 C ATOM 1132 C CYS A 76 -3.464 -15.992 2.262 1.00 0.00 C ATOM 1133 O CYS A 76 -2.474 -15.952 1.532 1.00 0.00 O ATOM 1134 CB CYS A 76 -5.051 -14.238 1.448 1.00 0.00 C ATOM 1135 SG CYS A 76 -6.220 -15.469 0.827 1.00 0.00 S ATOM 0 H CYS A 76 -2.852 -13.158 2.280 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.873 -14.935 3.472 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -5.603 -13.345 1.743 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -4.383 -13.946 0.638 1.00 0.00 H new ATOM 0 HG CYS A 76 -6.884 -14.971 -0.174 1.00 0.00 H new ATOM 1141 N GLN A 77 -3.945 -17.123 2.770 1.00 0.00 N ATOM 1142 CA GLN A 77 -3.320 -18.410 2.493 1.00 0.00 C ATOM 1143 C GLN A 77 -4.183 -19.242 1.549 1.00 0.00 C ATOM 1144 O GLN A 77 -5.323 -19.579 1.868 1.00 0.00 O ATOM 1145 CB GLN A 77 -3.083 -19.177 3.795 1.00 0.00 C ATOM 1146 CG GLN A 77 -2.265 -18.403 4.816 1.00 0.00 C ATOM 1147 CD GLN A 77 -2.592 -18.796 6.244 1.00 0.00 C ATOM 1148 OE1 GLN A 77 -2.043 -19.761 6.775 1.00 0.00 O ATOM 1149 NE2 GLN A 77 -3.489 -18.046 6.873 1.00 0.00 N ATOM 0 H GLN A 77 -4.765 -17.173 3.375 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.361 -18.223 2.010 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.046 -19.437 4.235 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.573 -20.113 3.568 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.204 -18.572 4.630 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.445 -17.336 4.686 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.919 -17.255 6.393 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.748 -18.261 7.836 1.00 0.00 H new ATOM 1158 N VAL A 78 -3.631 -19.569 0.385 1.00 0.00 N ATOM 1159 CA VAL A 78 -4.350 -20.362 -0.606 1.00 0.00 C ATOM 1160 C VAL A 78 -4.907 -21.640 0.012 1.00 0.00 C ATOM 1161 O VAL A 78 -5.987 -22.100 -0.355 1.00 0.00 O ATOM 1162 CB VAL A 78 -3.442 -20.733 -1.794 1.00 0.00 C ATOM 1163 CG1 VAL A 78 -3.325 -19.566 -2.761 1.00 0.00 C ATOM 1164 CG2 VAL A 78 -2.070 -21.168 -1.300 1.00 0.00 C ATOM 0 H VAL A 78 -2.689 -19.297 0.105 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.174 -19.747 -0.966 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.893 -21.570 -2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.680 -19.847 -3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.314 -19.307 -3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.897 -18.707 -2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.442 -21.426 -2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.609 -20.353 -0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.176 -22.037 -0.651 1.00 0.00 H new ATOM 1174 N GLY A 79 -4.162 -22.209 0.955 1.00 0.00 N ATOM 1175 CA GLY A 79 -4.598 -23.428 1.610 1.00 0.00 C ATOM 1176 C GLY A 79 -3.441 -24.341 1.966 1.00 0.00 C ATOM 1177 O GLY A 79 -2.603 -23.996 2.799 1.00 0.00 O ATOM 0 H GLY A 79 -3.264 -21.847 1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.148 -23.173 2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.289 -23.960 0.957 1.00 0.00 H new ATOM 1181 N ASP A 80 -3.396 -25.509 1.334 1.00 0.00 N ATOM 1182 CA ASP A 80 -2.333 -26.475 1.589 1.00 0.00 C ATOM 1183 C ASP A 80 -1.327 -26.490 0.443 1.00 0.00 C ATOM 1184 O ASP A 80 -1.485 -25.775 -0.547 1.00 0.00 O ATOM 1185 CB ASP A 80 -2.922 -27.873 1.785 1.00 0.00 C ATOM 1186 CG ASP A 80 -4.021 -27.897 2.830 1.00 0.00 C ATOM 1187 OD1 ASP A 80 -3.766 -27.450 3.968 1.00 0.00 O ATOM 1188 OD2 ASP A 80 -5.134 -28.363 2.510 1.00 0.00 O ATOM 0 H ASP A 80 -4.082 -25.810 0.642 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.815 -26.176 2.500 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.319 -28.233 0.836 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.129 -28.560 2.080 1.00 0.00 H new ATOM 1193 N LYS A 81 -0.289 -27.308 0.584 1.00 0.00 N ATOM 1194 CA LYS A 81 0.744 -27.417 -0.439 1.00 0.00 C ATOM 1195 C LYS A 81 0.183 -28.035 -1.716 1.00 0.00 C ATOM 1196 O LYS A 81 0.234 -27.444 -2.794 1.00 0.00 O ATOM 1197 CB LYS A 81 1.914 -28.259 0.077 1.00 0.00 C ATOM 1198 CG LYS A 81 2.621 -29.049 -1.011 1.00 0.00 C ATOM 1199 CD LYS A 81 4.027 -29.442 -0.590 1.00 0.00 C ATOM 1200 CE LYS A 81 4.726 -30.253 -1.671 1.00 0.00 C ATOM 1201 NZ LYS A 81 4.077 -31.577 -1.878 1.00 0.00 N ATOM 0 H LYS A 81 -0.141 -27.905 1.397 1.00 0.00 H new ATOM 0 HA LYS A 81 1.100 -26.413 -0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.635 -27.603 0.565 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.547 -28.950 0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.046 -29.945 -1.243 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.666 -28.454 -1.923 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.607 -28.545 -0.374 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.983 -30.023 0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.718 -29.694 -2.607 1.00 0.00 H new ATOM 0 HE3 LYS A 81 5.771 -30.400 -1.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.773 -32.333 -1.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.290 -31.686 -1.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.714 -31.637 -2.851 1.00 0.00 H new ATOM 1215 N PRO A 82 -0.366 -29.253 -1.593 1.00 0.00 N ATOM 1216 CA PRO A 82 -0.948 -29.976 -2.727 1.00 0.00 C ATOM 1217 C PRO A 82 -2.241 -29.336 -3.221 1.00 0.00 C ATOM 1218 O PRO A 82 -2.796 -29.742 -4.242 1.00 0.00 O ATOM 1219 CB PRO A 82 -1.226 -31.369 -2.155 1.00 0.00 C ATOM 1220 CG PRO A 82 -1.382 -31.152 -0.690 1.00 0.00 C ATOM 1221 CD PRO A 82 -0.460 -30.017 -0.338 1.00 0.00 C ATOM 0 HA PRO A 82 -0.284 -29.980 -3.592 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.127 -31.803 -2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.407 -32.056 -2.369 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.414 -30.908 -0.440 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.123 -32.052 -0.133 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.862 -29.410 0.473 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.516 -30.378 -0.013 1.00 0.00 H new ATOM 1229 N TYR A 83 -2.715 -28.332 -2.490 1.00 0.00 N ATOM 1230 CA TYR A 83 -3.944 -27.637 -2.853 1.00 0.00 C ATOM 1231 C TYR A 83 -3.662 -26.517 -3.850 1.00 0.00 C ATOM 1232 O TYR A 83 -4.420 -26.309 -4.797 1.00 0.00 O ATOM 1233 CB TYR A 83 -4.619 -27.066 -1.605 1.00 0.00 C ATOM 1234 CG TYR A 83 -5.662 -26.014 -1.908 1.00 0.00 C ATOM 1235 CD1 TYR A 83 -5.306 -24.682 -2.075 1.00 0.00 C ATOM 1236 CD2 TYR A 83 -7.004 -26.354 -2.029 1.00 0.00 C ATOM 1237 CE1 TYR A 83 -6.257 -23.718 -2.351 1.00 0.00 C ATOM 1238 CE2 TYR A 83 -7.961 -25.397 -2.306 1.00 0.00 C ATOM 1239 CZ TYR A 83 -7.583 -24.080 -2.466 1.00 0.00 C ATOM 1240 OH TYR A 83 -8.532 -23.123 -2.743 1.00 0.00 O ATOM 0 H TYR A 83 -2.267 -27.982 -1.643 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.614 -28.357 -3.323 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.086 -27.880 -1.051 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -3.857 -26.634 -0.956 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.269 -24.395 -1.988 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -7.304 -27.384 -1.904 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.963 -22.686 -2.476 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -9.000 -25.678 -2.397 1.00 0.00 H new ATOM 0 HH TYR A 83 -9.416 -23.543 -2.792 1.00 0.00 H new ATOM 1250 N TRP A 84 -2.567 -25.799 -3.629 1.00 0.00 N ATOM 1251 CA TRP A 84 -2.183 -24.700 -4.508 1.00 0.00 C ATOM 1252 C TRP A 84 -2.111 -25.164 -5.959 1.00 0.00 C ATOM 1253 O TRP A 84 -2.508 -24.441 -6.873 1.00 0.00 O ATOM 1254 CB TRP A 84 -0.835 -24.122 -4.077 1.00 0.00 C ATOM 1255 CG TRP A 84 -0.184 -23.281 -5.133 1.00 0.00 C ATOM 1256 CD1 TRP A 84 1.105 -23.374 -5.576 1.00 0.00 C ATOM 1257 CD2 TRP A 84 -0.790 -22.219 -5.877 1.00 0.00 C ATOM 1258 NE1 TRP A 84 1.336 -22.433 -6.550 1.00 0.00 N ATOM 1259 CE2 TRP A 84 0.189 -21.713 -6.754 1.00 0.00 C ATOM 1260 CE3 TRP A 84 -2.065 -21.647 -5.889 1.00 0.00 C ATOM 1261 CZ2 TRP A 84 -0.069 -20.663 -7.631 1.00 0.00 C ATOM 1262 CZ3 TRP A 84 -2.320 -20.605 -6.760 1.00 0.00 C ATOM 1263 CH2 TRP A 84 -1.326 -20.122 -7.622 1.00 0.00 C ATOM 0 H TRP A 84 -1.929 -25.958 -2.849 1.00 0.00 H new ATOM 0 HA TRP A 84 -2.944 -23.923 -4.432 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.976 -23.520 -3.179 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.166 -24.940 -3.810 1.00 0.00 H new ATOM 0 HD1 TRP A 84 1.835 -24.083 -5.214 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.219 -22.293 -7.042 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.838 -22.013 -5.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 0.696 -20.289 -8.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -3.302 -20.155 -6.777 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.557 -19.307 -8.292 1.00 0.00 H new ATOM 1274 N LYS A 85 -1.602 -26.373 -6.165 1.00 0.00 N ATOM 1275 CA LYS A 85 -1.478 -26.935 -7.505 1.00 0.00 C ATOM 1276 C LYS A 85 -2.828 -26.947 -8.215 1.00 0.00 C ATOM 1277 O LYS A 85 -2.920 -26.619 -9.398 1.00 0.00 O ATOM 1278 CB LYS A 85 -0.913 -28.355 -7.435 1.00 0.00 C ATOM 1279 CG LYS A 85 0.472 -28.429 -6.817 1.00 0.00 C ATOM 1280 CD LYS A 85 0.819 -29.846 -6.394 1.00 0.00 C ATOM 1281 CE LYS A 85 1.947 -29.863 -5.373 1.00 0.00 C ATOM 1282 NZ LYS A 85 1.937 -31.108 -4.557 1.00 0.00 N ATOM 0 H LYS A 85 -1.268 -26.984 -5.420 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.793 -26.307 -8.074 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.594 -28.980 -6.856 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.875 -28.772 -8.441 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.211 -28.071 -7.534 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.521 -27.768 -5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.063 -30.327 -5.971 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.110 -30.427 -7.269 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.904 -29.773 -5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.856 -28.998 -4.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.905 -30.861 -3.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.101 -31.676 -4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.798 -31.658 -4.752 1.00 0.00 H new ATOM 1296 N ASP A 86 -3.872 -27.327 -7.487 1.00 0.00 N ATOM 1297 CA ASP A 86 -5.217 -27.379 -8.047 1.00 0.00 C ATOM 1298 C ASP A 86 -5.451 -26.219 -9.009 1.00 0.00 C ATOM 1299 O ASP A 86 -5.644 -25.073 -8.603 1.00 0.00 O ATOM 1300 CB ASP A 86 -6.260 -27.349 -6.928 1.00 0.00 C ATOM 1301 CG ASP A 86 -6.005 -28.404 -5.870 1.00 0.00 C ATOM 1302 OD1 ASP A 86 -5.042 -29.182 -6.029 1.00 0.00 O ATOM 1303 OD2 ASP A 86 -6.768 -28.452 -4.883 1.00 0.00 O ATOM 0 H ASP A 86 -3.813 -27.604 -6.507 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.317 -28.312 -8.601 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.260 -26.364 -6.462 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.251 -27.499 -7.355 1.00 0.00 H new ATOM 1308 N PRO A 87 -5.433 -26.520 -10.316 1.00 0.00 N ATOM 1309 CA PRO A 87 -5.640 -25.516 -11.363 1.00 0.00 C ATOM 1310 C PRO A 87 -7.077 -25.006 -11.400 1.00 0.00 C ATOM 1311 O PRO A 87 -7.383 -24.034 -12.090 1.00 0.00 O ATOM 1312 CB PRO A 87 -5.307 -26.272 -12.651 1.00 0.00 C ATOM 1313 CG PRO A 87 -5.558 -27.704 -12.325 1.00 0.00 C ATOM 1314 CD PRO A 87 -5.208 -27.865 -10.872 1.00 0.00 C ATOM 0 HA PRO A 87 -5.027 -24.629 -11.204 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -5.933 -25.939 -13.479 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -4.271 -26.109 -12.949 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.599 -27.969 -12.507 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.949 -28.359 -12.948 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -5.838 -28.611 -10.387 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -4.175 -28.186 -10.741 1.00 0.00 H new ATOM 1322 N ASN A 88 -7.955 -25.668 -10.654 1.00 0.00 N ATOM 1323 CA ASN A 88 -9.360 -25.282 -10.602 1.00 0.00 C ATOM 1324 C ASN A 88 -9.660 -24.488 -9.334 1.00 0.00 C ATOM 1325 O ASN A 88 -10.785 -24.494 -8.838 1.00 0.00 O ATOM 1326 CB ASN A 88 -10.254 -26.521 -10.665 1.00 0.00 C ATOM 1327 CG ASN A 88 -9.731 -27.656 -9.805 1.00 0.00 C ATOM 1328 OD1 ASN A 88 -8.779 -28.412 -10.339 1.00 0.00 O flip ATOM 1329 ND2 ASN A 88 -10.178 -27.849 -8.675 1.00 0.00 N flip ATOM 0 H ASN A 88 -7.718 -26.475 -10.077 1.00 0.00 H new ATOM 0 HA ASN A 88 -9.568 -24.648 -11.464 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -11.260 -26.256 -10.340 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -10.331 -26.858 -11.699 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.910 -27.242 -8.306 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.817 -28.616 -8.108 1.00 0.00 H new ATOM 1336 N ASN A 89 -8.644 -23.806 -8.815 1.00 0.00 N ATOM 1337 CA ASN A 89 -8.798 -23.008 -7.605 1.00 0.00 C ATOM 1338 C ASN A 89 -9.320 -21.613 -7.936 1.00 0.00 C ATOM 1339 O ASN A 89 -9.064 -21.084 -9.018 1.00 0.00 O ATOM 1340 CB ASN A 89 -7.463 -22.903 -6.865 1.00 0.00 C ATOM 1341 CG ASN A 89 -7.213 -24.088 -5.952 1.00 0.00 C ATOM 1342 OD1 ASN A 89 -8.143 -24.800 -5.572 1.00 0.00 O ATOM 1343 ND2 ASN A 89 -5.952 -24.305 -5.596 1.00 0.00 N ATOM 0 H ASN A 89 -7.705 -23.790 -9.214 1.00 0.00 H new ATOM 0 HA ASN A 89 -9.524 -23.505 -6.962 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.653 -22.830 -7.591 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.448 -21.985 -6.277 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.722 -25.088 -4.984 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.213 -23.689 -5.935 1.00 0.00 H new ATOM 1350 N ASP A 90 -10.051 -21.023 -6.998 1.00 0.00 N ATOM 1351 CA ASP A 90 -10.608 -19.688 -7.188 1.00 0.00 C ATOM 1352 C ASP A 90 -9.498 -18.648 -7.307 1.00 0.00 C ATOM 1353 O ASP A 90 -9.735 -17.518 -7.734 1.00 0.00 O ATOM 1354 CB ASP A 90 -11.538 -19.330 -6.028 1.00 0.00 C ATOM 1355 CG ASP A 90 -12.602 -20.384 -5.792 1.00 0.00 C ATOM 1356 OD1 ASP A 90 -13.164 -20.892 -6.785 1.00 0.00 O ATOM 1357 OD2 ASP A 90 -12.873 -20.700 -4.615 1.00 0.00 O ATOM 0 H ASP A 90 -10.272 -21.448 -6.097 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.181 -19.689 -8.115 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.949 -19.203 -5.120 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.018 -18.373 -6.233 1.00 0.00 H new ATOM 1362 N PHE A 91 -8.286 -19.038 -6.925 1.00 0.00 N ATOM 1363 CA PHE A 91 -7.140 -18.139 -6.987 1.00 0.00 C ATOM 1364 C PHE A 91 -6.607 -18.033 -8.413 1.00 0.00 C ATOM 1365 O PHE A 91 -6.165 -16.968 -8.845 1.00 0.00 O ATOM 1366 CB PHE A 91 -6.032 -18.626 -6.052 1.00 0.00 C ATOM 1367 CG PHE A 91 -6.377 -18.499 -4.595 1.00 0.00 C ATOM 1368 CD1 PHE A 91 -6.109 -17.328 -3.906 1.00 0.00 C ATOM 1369 CD2 PHE A 91 -6.970 -19.551 -3.916 1.00 0.00 C ATOM 1370 CE1 PHE A 91 -6.425 -17.208 -2.566 1.00 0.00 C ATOM 1371 CE2 PHE A 91 -7.289 -19.437 -2.576 1.00 0.00 C ATOM 1372 CZ PHE A 91 -7.017 -18.264 -1.900 1.00 0.00 C ATOM 0 H PHE A 91 -8.073 -19.970 -6.570 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.469 -17.150 -6.667 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.812 -19.670 -6.275 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.123 -18.059 -6.253 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -5.648 -16.499 -4.422 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.185 -20.471 -4.440 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.209 -16.290 -2.040 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.751 -20.265 -2.058 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.266 -18.172 -0.853 1.00 0.00 H new ATOM 1382 N ARG A 92 -6.653 -19.145 -9.139 1.00 0.00 N ATOM 1383 CA ARG A 92 -6.174 -19.179 -10.516 1.00 0.00 C ATOM 1384 C ARG A 92 -7.324 -18.978 -11.497 1.00 0.00 C ATOM 1385 O ARG A 92 -7.106 -18.785 -12.693 1.00 0.00 O ATOM 1386 CB ARG A 92 -5.473 -20.509 -10.801 1.00 0.00 C ATOM 1387 CG ARG A 92 -4.474 -20.913 -9.729 1.00 0.00 C ATOM 1388 CD ARG A 92 -4.186 -22.406 -9.772 1.00 0.00 C ATOM 1389 NE ARG A 92 -2.873 -22.726 -9.216 1.00 0.00 N ATOM 1390 CZ ARG A 92 -1.733 -22.535 -9.870 1.00 0.00 C ATOM 1391 NH1 ARG A 92 -1.743 -22.029 -11.095 1.00 0.00 N ATOM 1392 NH2 ARG A 92 -0.578 -22.851 -9.297 1.00 0.00 N ATOM 0 H ARG A 92 -7.017 -20.034 -8.797 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.462 -18.364 -10.647 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.225 -21.292 -10.899 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.957 -20.440 -11.759 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.546 -20.358 -9.867 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.863 -20.644 -8.747 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.956 -22.940 -9.215 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.238 -22.756 -10.803 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.830 -23.117 -8.275 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.628 -21.785 -11.539 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -0.865 -21.884 -11.594 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.566 -23.241 -8.354 1.00 0.00 H new ATOM 0 HH22 ARG A 92 0.298 -22.704 -9.799 1.00 0.00 H new ATOM 1406 N GLN A 93 -8.549 -19.024 -10.983 1.00 0.00 N ATOM 1407 CA GLN A 93 -9.734 -18.848 -11.814 1.00 0.00 C ATOM 1408 C GLN A 93 -10.230 -17.407 -11.756 1.00 0.00 C ATOM 1409 O GLN A 93 -10.486 -16.785 -12.787 1.00 0.00 O ATOM 1410 CB GLN A 93 -10.844 -19.800 -11.366 1.00 0.00 C ATOM 1411 CG GLN A 93 -10.468 -21.269 -11.482 1.00 0.00 C ATOM 1412 CD GLN A 93 -10.805 -21.852 -12.841 1.00 0.00 C ATOM 1413 OE1 GLN A 93 -11.946 -21.774 -13.297 1.00 0.00 O ATOM 1414 NE2 GLN A 93 -9.811 -22.440 -13.496 1.00 0.00 N ATOM 0 H GLN A 93 -8.747 -19.182 -9.995 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.462 -19.079 -12.844 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.104 -19.580 -10.330 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.735 -19.613 -11.965 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.400 -21.382 -11.297 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.987 -21.835 -10.709 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.881 -22.482 -13.080 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.978 -22.850 -14.415 1.00 0.00 H new ATOM 1423 N LYS A 94 -10.364 -16.881 -10.543 1.00 0.00 N ATOM 1424 CA LYS A 94 -10.829 -15.513 -10.349 1.00 0.00 C ATOM 1425 C LYS A 94 -9.652 -14.551 -10.222 1.00 0.00 C ATOM 1426 O LYS A 94 -9.555 -13.570 -10.961 1.00 0.00 O ATOM 1427 CB LYS A 94 -11.711 -15.424 -9.102 1.00 0.00 C ATOM 1428 CG LYS A 94 -12.905 -16.362 -9.133 1.00 0.00 C ATOM 1429 CD LYS A 94 -14.011 -15.888 -8.205 1.00 0.00 C ATOM 1430 CE LYS A 94 -15.100 -16.938 -8.053 1.00 0.00 C ATOM 1431 NZ LYS A 94 -14.776 -17.922 -6.983 1.00 0.00 N ATOM 0 H LYS A 94 -10.157 -17.382 -9.679 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.416 -15.228 -11.222 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.107 -15.648 -8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.067 -14.400 -8.991 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -13.288 -16.431 -10.151 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -12.589 -17.364 -8.842 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.591 -15.654 -7.227 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -14.444 -14.967 -8.595 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -16.046 -16.449 -7.822 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -15.234 -17.462 -8.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.579 -18.570 -6.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -13.933 -18.466 -7.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -14.590 -17.418 -6.093 1.00 0.00 H new ATOM 1445 N LEU A 95 -8.758 -14.839 -9.282 1.00 0.00 N ATOM 1446 CA LEU A 95 -7.585 -14.000 -9.059 1.00 0.00 C ATOM 1447 C LEU A 95 -6.537 -14.231 -10.143 1.00 0.00 C ATOM 1448 O LEU A 95 -5.661 -13.394 -10.363 1.00 0.00 O ATOM 1449 CB LEU A 95 -6.984 -14.285 -7.682 1.00 0.00 C ATOM 1450 CG LEU A 95 -7.744 -13.713 -6.486 1.00 0.00 C ATOM 1451 CD1 LEU A 95 -7.097 -14.152 -5.182 1.00 0.00 C ATOM 1452 CD2 LEU A 95 -7.803 -12.194 -6.569 1.00 0.00 C ATOM 0 H LEU A 95 -8.823 -15.647 -8.662 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.901 -12.958 -9.101 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.910 -15.365 -7.557 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -5.968 -13.891 -7.663 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.763 -14.099 -6.510 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -7.652 -13.735 -4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.107 -15.240 -5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.067 -13.796 -5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.348 -11.804 -5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.791 -11.790 -6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.313 -11.899 -7.486 1.00 0.00 H new ATOM 1464 N LYS A 96 -6.633 -15.371 -10.819 1.00 0.00 N ATOM 1465 CA LYS A 96 -5.696 -15.712 -11.882 1.00 0.00 C ATOM 1466 C LYS A 96 -4.255 -15.518 -11.420 1.00 0.00 C ATOM 1467 O LYS A 96 -3.462 -14.855 -12.090 1.00 0.00 O ATOM 1468 CB LYS A 96 -5.964 -14.854 -13.121 1.00 0.00 C ATOM 1469 CG LYS A 96 -7.264 -15.198 -13.828 1.00 0.00 C ATOM 1470 CD LYS A 96 -7.068 -16.304 -14.851 1.00 0.00 C ATOM 1471 CE LYS A 96 -6.708 -15.742 -16.217 1.00 0.00 C ATOM 1472 NZ LYS A 96 -6.912 -16.744 -17.300 1.00 0.00 N ATOM 0 H LYS A 96 -7.351 -16.075 -10.649 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.840 -16.762 -12.136 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.986 -13.804 -12.828 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.137 -14.973 -13.821 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.007 -15.508 -13.094 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.656 -14.309 -14.323 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.280 -16.977 -14.514 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.980 -16.895 -14.929 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.316 -14.860 -16.419 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.667 -15.418 -16.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.656 -16.323 -18.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.313 -17.575 -17.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.910 -17.035 -17.320 1.00 0.00 H new ATOM 1486 N ILE A 97 -3.922 -16.103 -10.274 1.00 0.00 N ATOM 1487 CA ILE A 97 -2.576 -15.997 -9.726 1.00 0.00 C ATOM 1488 C ILE A 97 -1.557 -16.676 -10.634 1.00 0.00 C ATOM 1489 O ILE A 97 -1.880 -17.626 -11.347 1.00 0.00 O ATOM 1490 CB ILE A 97 -2.490 -16.620 -8.320 1.00 0.00 C ATOM 1491 CG1 ILE A 97 -3.468 -15.926 -7.370 1.00 0.00 C ATOM 1492 CG2 ILE A 97 -1.069 -16.528 -7.786 1.00 0.00 C ATOM 1493 CD1 ILE A 97 -3.288 -14.426 -7.307 1.00 0.00 C ATOM 0 H ILE A 97 -4.566 -16.655 -9.708 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.346 -14.934 -9.658 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.764 -17.673 -8.388 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -4.487 -16.148 -7.685 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -3.346 -16.341 -6.369 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.024 -16.972 -6.792 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.394 -17.064 -8.453 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.769 -15.482 -7.730 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.015 -14.001 -6.614 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -2.280 -14.195 -6.963 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.439 -13.999 -8.299 1.00 0.00 H new ATOM 1505 N THR A 98 -0.323 -16.183 -10.602 1.00 0.00 N ATOM 1506 CA THR A 98 0.745 -16.742 -11.421 1.00 0.00 C ATOM 1507 C THR A 98 1.542 -17.787 -10.648 1.00 0.00 C ATOM 1508 O THR A 98 1.586 -18.956 -11.031 1.00 0.00 O ATOM 1509 CB THR A 98 1.705 -15.645 -11.918 1.00 0.00 C ATOM 1510 OG1 THR A 98 0.972 -14.631 -12.614 1.00 0.00 O ATOM 1511 CG2 THR A 98 2.768 -16.231 -12.836 1.00 0.00 C ATOM 0 H THR A 98 -0.039 -15.397 -10.017 1.00 0.00 H new ATOM 0 HA THR A 98 0.269 -17.215 -12.280 1.00 0.00 H new ATOM 0 HB THR A 98 2.199 -15.205 -11.051 1.00 0.00 H new ATOM 0 HG1 THR A 98 1.589 -13.936 -12.925 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.434 -15.437 -13.174 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.343 -16.981 -12.294 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.289 -16.695 -13.698 1.00 0.00 H new ATOM 1519 N ALA A 99 2.170 -17.358 -9.558 1.00 0.00 N ATOM 1520 CA ALA A 99 2.963 -18.258 -8.730 1.00 0.00 C ATOM 1521 C ALA A 99 3.166 -17.682 -7.333 1.00 0.00 C ATOM 1522 O ALA A 99 3.713 -16.590 -7.175 1.00 0.00 O ATOM 1523 CB ALA A 99 4.305 -18.537 -9.389 1.00 0.00 C ATOM 0 H ALA A 99 2.145 -16.393 -9.228 1.00 0.00 H new ATOM 0 HA ALA A 99 2.418 -19.197 -8.632 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.886 -19.210 -8.759 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.143 -19.000 -10.363 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.849 -17.601 -9.518 1.00 0.00 H new ATOM 1529 N VAL A 100 2.723 -18.422 -6.322 1.00 0.00 N ATOM 1530 CA VAL A 100 2.857 -17.984 -4.938 1.00 0.00 C ATOM 1531 C VAL A 100 4.276 -18.208 -4.426 1.00 0.00 C ATOM 1532 O VAL A 100 4.975 -19.131 -4.843 1.00 0.00 O ATOM 1533 CB VAL A 100 1.868 -18.723 -4.017 1.00 0.00 C ATOM 1534 CG1 VAL A 100 0.444 -18.571 -4.530 1.00 0.00 C ATOM 1535 CG2 VAL A 100 2.247 -20.192 -3.899 1.00 0.00 C ATOM 0 H VAL A 100 2.268 -19.328 -6.435 1.00 0.00 H new ATOM 0 HA VAL A 100 2.631 -16.918 -4.920 1.00 0.00 H new ATOM 0 HB VAL A 100 1.920 -18.276 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.240 -19.100 -3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.178 -17.514 -4.558 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.372 -18.990 -5.534 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.538 -20.699 -3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.225 -20.654 -4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.250 -20.276 -3.482 1.00 0.00 H new ATOM 1545 N PRO A 101 4.713 -17.344 -3.498 1.00 0.00 N ATOM 1546 CA PRO A 101 3.890 -16.240 -2.993 1.00 0.00 C ATOM 1547 C PRO A 101 3.670 -15.155 -4.042 1.00 0.00 C ATOM 1548 O PRO A 101 4.610 -14.719 -4.706 1.00 0.00 O ATOM 1549 CB PRO A 101 4.710 -15.694 -1.822 1.00 0.00 C ATOM 1550 CG PRO A 101 6.117 -16.065 -2.138 1.00 0.00 C ATOM 1551 CD PRO A 101 6.045 -17.376 -2.870 1.00 0.00 C ATOM 0 HA PRO A 101 2.890 -16.571 -2.713 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.597 -14.614 -1.729 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.389 -16.130 -0.876 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.594 -15.301 -2.752 1.00 0.00 H new ATOM 0 HG3 PRO A 101 6.710 -16.158 -1.228 1.00 0.00 H new ATOM 0 HD2 PRO A 101 6.837 -17.465 -3.613 1.00 0.00 H new ATOM 0 HD3 PRO A 101 6.149 -18.222 -2.190 1.00 0.00 H new ATOM 1559 N THR A 102 2.421 -14.722 -4.185 1.00 0.00 N ATOM 1560 CA THR A 102 2.077 -13.688 -5.153 1.00 0.00 C ATOM 1561 C THR A 102 1.557 -12.435 -4.458 1.00 0.00 C ATOM 1562 O THR A 102 0.482 -12.446 -3.857 1.00 0.00 O ATOM 1563 CB THR A 102 1.015 -14.185 -6.152 1.00 0.00 C ATOM 1564 OG1 THR A 102 1.444 -15.411 -6.754 1.00 0.00 O ATOM 1565 CG2 THR A 102 0.760 -13.145 -7.233 1.00 0.00 C ATOM 0 H THR A 102 1.631 -15.072 -3.643 1.00 0.00 H new ATOM 0 HA THR A 102 2.991 -13.446 -5.695 1.00 0.00 H new ATOM 0 HB THR A 102 0.086 -14.354 -5.607 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.418 -15.398 -6.865 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.007 -13.518 -7.927 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.405 -12.222 -6.774 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.686 -12.948 -7.774 1.00 0.00 H new ATOM 1573 N LEU A 103 2.326 -11.355 -4.544 1.00 0.00 N ATOM 1574 CA LEU A 103 1.943 -10.092 -3.923 1.00 0.00 C ATOM 1575 C LEU A 103 1.254 -9.177 -4.930 1.00 0.00 C ATOM 1576 O LEU A 103 1.911 -8.500 -5.721 1.00 0.00 O ATOM 1577 CB LEU A 103 3.173 -9.393 -3.340 1.00 0.00 C ATOM 1578 CG LEU A 103 2.910 -8.087 -2.590 1.00 0.00 C ATOM 1579 CD1 LEU A 103 2.261 -8.365 -1.244 1.00 0.00 C ATOM 1580 CD2 LEU A 103 4.204 -7.306 -2.410 1.00 0.00 C ATOM 0 H LEU A 103 3.218 -11.329 -5.038 1.00 0.00 H new ATOM 0 HA LEU A 103 1.241 -10.310 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.671 -10.085 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 103 3.869 -9.188 -4.153 1.00 0.00 H new ATOM 0 HG LEU A 103 2.223 -7.482 -3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.082 -7.423 -0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.313 -8.881 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.922 -8.990 -0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.998 -6.379 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 103 4.914 -7.905 -1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.628 -7.074 -3.387 1.00 0.00 H new ATOM 1592 N LEU A 104 -0.074 -9.161 -4.894 1.00 0.00 N ATOM 1593 CA LEU A 104 -0.854 -8.327 -5.803 1.00 0.00 C ATOM 1594 C LEU A 104 -1.303 -7.043 -5.113 1.00 0.00 C ATOM 1595 O LEU A 104 -1.810 -7.072 -3.991 1.00 0.00 O ATOM 1596 CB LEU A 104 -2.072 -9.097 -6.315 1.00 0.00 C ATOM 1597 CG LEU A 104 -3.258 -8.249 -6.776 1.00 0.00 C ATOM 1598 CD1 LEU A 104 -2.943 -7.565 -8.097 1.00 0.00 C ATOM 1599 CD2 LEU A 104 -4.509 -9.105 -6.902 1.00 0.00 C ATOM 0 H LEU A 104 -0.633 -9.716 -4.246 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.219 -8.061 -6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.756 -9.726 -7.147 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.414 -9.764 -5.524 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.443 -7.479 -6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.798 -6.966 -8.410 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.073 -6.919 -7.974 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.731 -8.319 -8.856 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.343 -8.485 -7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.336 -9.897 -7.631 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.746 -9.548 -5.935 1.00 0.00 H new ATOM 1611 N LYS A 105 -1.116 -5.916 -5.792 1.00 0.00 N ATOM 1612 CA LYS A 105 -1.504 -4.620 -5.247 1.00 0.00 C ATOM 1613 C LYS A 105 -2.903 -4.231 -5.714 1.00 0.00 C ATOM 1614 O LYS A 105 -3.066 -3.605 -6.762 1.00 0.00 O ATOM 1615 CB LYS A 105 -0.498 -3.546 -5.665 1.00 0.00 C ATOM 1616 CG LYS A 105 -0.824 -2.164 -5.125 1.00 0.00 C ATOM 1617 CD LYS A 105 0.367 -1.227 -5.234 1.00 0.00 C ATOM 1618 CE LYS A 105 0.019 0.175 -4.757 1.00 0.00 C ATOM 1619 NZ LYS A 105 -0.907 0.866 -5.696 1.00 0.00 N ATOM 0 H LYS A 105 -0.698 -5.874 -6.721 1.00 0.00 H new ATOM 0 HA LYS A 105 -1.511 -4.698 -4.160 1.00 0.00 H new ATOM 0 HB2 LYS A 105 0.495 -3.836 -5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -0.458 -3.501 -6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.667 -1.747 -5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -1.131 -2.243 -4.082 1.00 0.00 H new ATOM 0 HD2 LYS A 105 1.195 -1.619 -4.643 1.00 0.00 H new ATOM 0 HD3 LYS A 105 0.706 -1.187 -6.269 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.440 0.119 -3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 105 0.933 0.760 -4.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -0.607 1.855 -5.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -0.889 0.386 -6.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -1.873 0.841 -5.312 1.00 0.00 H new ATOM 1633 N TYR A 106 -3.909 -4.605 -4.931 1.00 0.00 N ATOM 1634 CA TYR A 106 -5.294 -4.296 -5.266 1.00 0.00 C ATOM 1635 C TYR A 106 -5.425 -2.864 -5.775 1.00 0.00 C ATOM 1636 O TYR A 106 -5.286 -1.907 -5.014 1.00 0.00 O ATOM 1637 CB TYR A 106 -6.193 -4.499 -4.045 1.00 0.00 C ATOM 1638 CG TYR A 106 -7.608 -4.900 -4.395 1.00 0.00 C ATOM 1639 CD1 TYR A 106 -7.859 -5.993 -5.215 1.00 0.00 C ATOM 1640 CD2 TYR A 106 -8.694 -4.186 -3.904 1.00 0.00 C ATOM 1641 CE1 TYR A 106 -9.150 -6.362 -5.538 1.00 0.00 C ATOM 1642 CE2 TYR A 106 -9.989 -4.549 -4.221 1.00 0.00 C ATOM 1643 CZ TYR A 106 -10.212 -5.637 -5.038 1.00 0.00 C ATOM 1644 OH TYR A 106 -11.500 -6.002 -5.357 1.00 0.00 O ATOM 0 H TYR A 106 -3.791 -5.123 -4.060 1.00 0.00 H new ATOM 0 HA TYR A 106 -5.610 -4.974 -6.059 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -5.755 -5.265 -3.405 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -6.219 -3.576 -3.466 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.030 -6.564 -5.607 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.523 -3.333 -3.264 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -9.327 -7.213 -6.178 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.822 -3.983 -3.831 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.130 -5.390 -4.923 1.00 0.00 H new ATOM 1654 N GLY A 107 -5.693 -2.725 -7.070 1.00 0.00 N ATOM 1655 CA GLY A 107 -5.839 -1.407 -7.660 1.00 0.00 C ATOM 1656 C GLY A 107 -4.928 -1.203 -8.854 1.00 0.00 C ATOM 1657 O GLY A 107 -5.291 -0.520 -9.813 1.00 0.00 O ATOM 0 H GLY A 107 -5.812 -3.501 -7.721 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.875 -1.263 -7.968 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -5.622 -0.649 -6.907 1.00 0.00 H new ATOM 1661 N THR A 108 -3.739 -1.796 -8.798 1.00 0.00 N ATOM 1662 CA THR A 108 -2.772 -1.673 -9.882 1.00 0.00 C ATOM 1663 C THR A 108 -2.309 -3.043 -10.363 1.00 0.00 C ATOM 1664 O THR A 108 -2.251 -4.009 -9.601 1.00 0.00 O ATOM 1665 CB THR A 108 -1.544 -0.851 -9.448 1.00 0.00 C ATOM 1666 OG1 THR A 108 -0.943 -1.442 -8.290 1.00 0.00 O ATOM 1667 CG2 THR A 108 -1.934 0.587 -9.145 1.00 0.00 C ATOM 0 H THR A 108 -3.423 -2.366 -8.013 1.00 0.00 H new ATOM 0 HA THR A 108 -3.276 -1.156 -10.699 1.00 0.00 H new ATOM 0 HB THR A 108 -0.827 -0.850 -10.269 1.00 0.00 H new ATOM 0 HG1 THR A 108 0.020 -1.262 -8.294 1.00 0.00 H new ATOM 0 HG21 THR A 108 -1.050 1.147 -8.841 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.364 1.043 -10.037 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.669 0.603 -8.340 1.00 0.00 H new ATOM 1675 N PRO A 109 -1.969 -3.133 -11.657 1.00 0.00 N ATOM 1676 CA PRO A 109 -1.503 -4.381 -12.268 1.00 0.00 C ATOM 1677 C PRO A 109 -0.118 -4.787 -11.775 1.00 0.00 C ATOM 1678 O PRO A 109 0.432 -5.800 -12.207 1.00 0.00 O ATOM 1679 CB PRO A 109 -1.463 -4.051 -13.763 1.00 0.00 C ATOM 1680 CG PRO A 109 -1.286 -2.573 -13.820 1.00 0.00 C ATOM 1681 CD PRO A 109 -2.013 -2.023 -12.623 1.00 0.00 C ATOM 0 HA PRO A 109 -2.150 -5.222 -12.020 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -0.642 -4.567 -14.261 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -2.382 -4.359 -14.261 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -0.230 -2.305 -13.792 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -1.694 -2.166 -14.745 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -1.525 -1.130 -12.232 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.038 -1.744 -12.868 1.00 0.00 H new ATOM 1689 N GLN A 110 0.439 -3.990 -10.870 1.00 0.00 N ATOM 1690 CA GLN A 110 1.761 -4.266 -10.319 1.00 0.00 C ATOM 1691 C GLN A 110 1.692 -5.367 -9.266 1.00 0.00 C ATOM 1692 O GLN A 110 0.956 -5.257 -8.284 1.00 0.00 O ATOM 1693 CB GLN A 110 2.358 -2.997 -9.709 1.00 0.00 C ATOM 1694 CG GLN A 110 2.955 -2.051 -10.737 1.00 0.00 C ATOM 1695 CD GLN A 110 3.867 -1.012 -10.115 1.00 0.00 C ATOM 1696 OE1 GLN A 110 5.076 -1.011 -10.346 1.00 0.00 O ATOM 1697 NE2 GLN A 110 3.290 -0.119 -9.319 1.00 0.00 N ATOM 0 H GLN A 110 -0.004 -3.148 -10.502 1.00 0.00 H new ATOM 0 HA GLN A 110 2.402 -4.606 -11.132 1.00 0.00 H new ATOM 0 HB2 GLN A 110 1.582 -2.472 -9.152 1.00 0.00 H new ATOM 0 HB3 GLN A 110 3.131 -3.277 -8.993 1.00 0.00 H new ATOM 0 HG2 GLN A 110 3.516 -2.627 -11.473 1.00 0.00 H new ATOM 0 HG3 GLN A 110 2.150 -1.548 -11.273 1.00 0.00 H new ATOM 0 HE21 GLN A 110 2.284 -0.157 -9.155 1.00 0.00 H new ATOM 0 HE22 GLN A 110 3.853 0.604 -8.872 1.00 0.00 H new ATOM 1706 N LYS A 111 2.462 -6.429 -9.475 1.00 0.00 N ATOM 1707 CA LYS A 111 2.490 -7.551 -8.544 1.00 0.00 C ATOM 1708 C LYS A 111 3.891 -8.147 -8.453 1.00 0.00 C ATOM 1709 O LYS A 111 4.661 -8.099 -9.413 1.00 0.00 O ATOM 1710 CB LYS A 111 1.494 -8.628 -8.981 1.00 0.00 C ATOM 1711 CG LYS A 111 1.645 -9.044 -10.434 1.00 0.00 C ATOM 1712 CD LYS A 111 2.659 -10.165 -10.590 1.00 0.00 C ATOM 1713 CE LYS A 111 2.372 -11.008 -11.823 1.00 0.00 C ATOM 1714 NZ LYS A 111 3.595 -11.694 -12.323 1.00 0.00 N ATOM 0 H LYS A 111 3.076 -6.537 -10.282 1.00 0.00 H new ATOM 0 HA LYS A 111 2.207 -7.181 -7.559 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.619 -9.505 -8.346 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.481 -8.260 -8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 111 0.680 -9.368 -10.823 1.00 0.00 H new ATOM 0 HG3 LYS A 111 1.956 -8.185 -11.029 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.661 -9.743 -10.662 1.00 0.00 H new ATOM 0 HD3 LYS A 111 2.642 -10.798 -9.703 1.00 0.00 H new ATOM 0 HE2 LYS A 111 1.610 -11.751 -11.586 1.00 0.00 H new ATOM 0 HE3 LYS A 111 1.964 -10.373 -12.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.558 -11.758 -13.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 4.437 -11.153 -12.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 3.646 -12.651 -11.919 1.00 0.00 H new ATOM 1728 N LEU A 112 4.215 -8.709 -7.293 1.00 0.00 N ATOM 1729 CA LEU A 112 5.523 -9.317 -7.077 1.00 0.00 C ATOM 1730 C LEU A 112 5.399 -10.825 -6.888 1.00 0.00 C ATOM 1731 O LEU A 112 4.709 -11.293 -5.982 1.00 0.00 O ATOM 1732 CB LEU A 112 6.201 -8.693 -5.856 1.00 0.00 C ATOM 1733 CG LEU A 112 6.269 -7.165 -5.833 1.00 0.00 C ATOM 1734 CD1 LEU A 112 7.059 -6.684 -4.626 1.00 0.00 C ATOM 1735 CD2 LEU A 112 6.888 -6.640 -7.121 1.00 0.00 C ATOM 0 H LEU A 112 3.590 -8.756 -6.488 1.00 0.00 H new ATOM 0 HA LEU A 112 6.133 -9.130 -7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 112 5.673 -9.027 -4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.217 -9.083 -5.791 1.00 0.00 H new ATOM 0 HG LEU A 112 5.254 -6.776 -5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 112 7.097 -5.595 -4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 112 6.575 -7.030 -3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.073 -7.082 -4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 112 6.929 -5.551 -7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 112 7.897 -7.038 -7.228 1.00 0.00 H new ATOM 0 HD23 LEU A 112 6.282 -6.955 -7.971 1.00 0.00 H new ATOM 1747 N VAL A 113 6.073 -11.582 -7.748 1.00 0.00 N ATOM 1748 CA VAL A 113 6.041 -13.038 -7.675 1.00 0.00 C ATOM 1749 C VAL A 113 7.068 -13.560 -6.676 1.00 0.00 C ATOM 1750 O VAL A 113 7.848 -12.792 -6.114 1.00 0.00 O ATOM 1751 CB VAL A 113 6.309 -13.675 -9.051 1.00 0.00 C ATOM 1752 CG1 VAL A 113 5.639 -15.038 -9.148 1.00 0.00 C ATOM 1753 CG2 VAL A 113 5.831 -12.757 -10.165 1.00 0.00 C ATOM 0 H VAL A 113 6.648 -11.211 -8.504 1.00 0.00 H new ATOM 0 HA VAL A 113 5.041 -13.317 -7.343 1.00 0.00 H new ATOM 0 HB VAL A 113 7.384 -13.816 -9.164 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.839 -15.473 -10.127 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.034 -15.694 -8.372 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.563 -14.925 -9.014 1.00 0.00 H new ATOM 0 HG21 VAL A 113 6.028 -13.223 -11.130 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.760 -12.582 -10.058 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.361 -11.806 -10.106 1.00 0.00 H new ATOM 1763 N GLU A 114 7.061 -14.872 -6.461 1.00 0.00 N ATOM 1764 CA GLU A 114 7.993 -15.497 -5.529 1.00 0.00 C ATOM 1765 C GLU A 114 9.326 -14.754 -5.511 1.00 0.00 C ATOM 1766 O GLU A 114 9.728 -14.204 -4.486 1.00 0.00 O ATOM 1767 CB GLU A 114 8.219 -16.963 -5.905 1.00 0.00 C ATOM 1768 CG GLU A 114 6.942 -17.701 -6.271 1.00 0.00 C ATOM 1769 CD GLU A 114 7.111 -19.207 -6.243 1.00 0.00 C ATOM 1770 OE1 GLU A 114 7.831 -19.708 -5.354 1.00 0.00 O ATOM 1771 OE2 GLU A 114 6.521 -19.886 -7.110 1.00 0.00 O ATOM 0 H GLU A 114 6.422 -15.522 -6.919 1.00 0.00 H new ATOM 0 HA GLU A 114 7.556 -15.448 -4.532 1.00 0.00 H new ATOM 0 HB2 GLU A 114 8.910 -17.011 -6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 114 8.697 -17.474 -5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.150 -17.415 -5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.621 -17.393 -7.266 1.00 0.00 H new ATOM 1778 N SER A 115 10.005 -14.743 -6.653 1.00 0.00 N ATOM 1779 CA SER A 115 11.295 -14.071 -6.769 1.00 0.00 C ATOM 1780 C SER A 115 11.176 -12.598 -6.391 1.00 0.00 C ATOM 1781 O SER A 115 12.008 -12.067 -5.656 1.00 0.00 O ATOM 1782 CB SER A 115 11.835 -14.202 -8.194 1.00 0.00 C ATOM 1783 OG SER A 115 12.521 -15.429 -8.369 1.00 0.00 O ATOM 0 H SER A 115 9.684 -15.191 -7.511 1.00 0.00 H new ATOM 0 HA SER A 115 11.990 -14.550 -6.079 1.00 0.00 H new ATOM 0 HB2 SER A 115 11.012 -14.137 -8.905 1.00 0.00 H new ATOM 0 HB3 SER A 115 12.508 -13.372 -8.409 1.00 0.00 H new ATOM 0 HG SER A 115 12.855 -15.489 -9.288 1.00 0.00 H new ATOM 1789 N GLU A 116 10.136 -11.945 -6.899 1.00 0.00 N ATOM 1790 CA GLU A 116 9.909 -10.533 -6.616 1.00 0.00 C ATOM 1791 C GLU A 116 9.426 -10.337 -5.181 1.00 0.00 C ATOM 1792 O GLU A 116 9.336 -9.209 -4.694 1.00 0.00 O ATOM 1793 CB GLU A 116 8.886 -9.951 -7.594 1.00 0.00 C ATOM 1794 CG GLU A 116 9.147 -10.326 -9.043 1.00 0.00 C ATOM 1795 CD GLU A 116 8.463 -9.391 -10.020 1.00 0.00 C ATOM 1796 OE1 GLU A 116 7.271 -9.613 -10.319 1.00 0.00 O ATOM 1797 OE2 GLU A 116 9.120 -8.436 -10.486 1.00 0.00 O ATOM 0 H GLU A 116 9.438 -12.371 -7.508 1.00 0.00 H new ATOM 0 HA GLU A 116 10.856 -10.008 -6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 116 7.891 -10.294 -7.312 1.00 0.00 H new ATOM 0 HB3 GLU A 116 8.886 -8.865 -7.503 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.221 -10.317 -9.229 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.802 -11.345 -9.219 1.00 0.00 H new ATOM 1804 N CYS A 117 9.117 -11.441 -4.511 1.00 0.00 N ATOM 1805 CA CYS A 117 8.642 -11.392 -3.133 1.00 0.00 C ATOM 1806 C CYS A 117 9.808 -11.472 -2.153 1.00 0.00 C ATOM 1807 O CYS A 117 9.658 -11.170 -0.968 1.00 0.00 O ATOM 1808 CB CYS A 117 7.659 -12.534 -2.869 1.00 0.00 C ATOM 1809 SG CYS A 117 6.057 -12.332 -3.683 1.00 0.00 S ATOM 0 H CYS A 117 9.187 -12.381 -4.900 1.00 0.00 H new ATOM 0 HA CYS A 117 8.131 -10.441 -2.985 1.00 0.00 H new ATOM 0 HB2 CYS A 117 8.108 -13.470 -3.202 1.00 0.00 H new ATOM 0 HB3 CYS A 117 7.500 -12.621 -1.794 1.00 0.00 H new ATOM 0 HG CYS A 117 5.677 -13.471 -4.181 1.00 0.00 H new ATOM 1815 N CYS A 118 10.968 -11.881 -2.654 1.00 0.00 N ATOM 1816 CA CYS A 118 12.160 -12.004 -1.822 1.00 0.00 C ATOM 1817 C CYS A 118 13.145 -10.876 -2.114 1.00 0.00 C ATOM 1818 O CYS A 118 14.134 -10.704 -1.402 1.00 0.00 O ATOM 1819 CB CYS A 118 12.832 -13.358 -2.053 1.00 0.00 C ATOM 1820 SG CYS A 118 14.411 -13.554 -1.195 1.00 0.00 S ATOM 0 H CYS A 118 11.109 -12.133 -3.632 1.00 0.00 H new ATOM 0 HA CYS A 118 11.854 -11.933 -0.778 1.00 0.00 H new ATOM 0 HB2 CYS A 118 12.154 -14.148 -1.729 1.00 0.00 H new ATOM 0 HB3 CYS A 118 12.992 -13.494 -3.122 1.00 0.00 H new ATOM 0 HG CYS A 118 14.908 -12.383 -0.927 1.00 0.00 H new ATOM 1826 N GLN A 119 12.868 -10.113 -3.166 1.00 0.00 N ATOM 1827 CA GLN A 119 13.731 -9.004 -3.554 1.00 0.00 C ATOM 1828 C GLN A 119 13.202 -7.684 -3.003 1.00 0.00 C ATOM 1829 O GLN A 119 12.386 -7.017 -3.639 1.00 0.00 O ATOM 1830 CB GLN A 119 13.844 -8.926 -5.077 1.00 0.00 C ATOM 1831 CG GLN A 119 14.893 -9.861 -5.658 1.00 0.00 C ATOM 1832 CD GLN A 119 14.884 -11.228 -5.003 1.00 0.00 C ATOM 1833 OE1 GLN A 119 15.253 -11.373 -3.838 1.00 0.00 O ATOM 1834 NE2 GLN A 119 14.460 -12.240 -5.751 1.00 0.00 N ATOM 0 H GLN A 119 12.053 -10.242 -3.765 1.00 0.00 H new ATOM 0 HA GLN A 119 14.720 -9.182 -3.133 1.00 0.00 H new ATOM 0 HB2 GLN A 119 12.875 -9.162 -5.517 1.00 0.00 H new ATOM 0 HB3 GLN A 119 14.084 -7.902 -5.363 1.00 0.00 H new ATOM 0 HG2 GLN A 119 14.720 -9.974 -6.728 1.00 0.00 H new ATOM 0 HG3 GLN A 119 15.879 -9.412 -5.540 1.00 0.00 H new ATOM 0 HE21 GLN A 119 14.163 -12.074 -6.713 1.00 0.00 H new ATOM 0 HE22 GLN A 119 14.431 -13.183 -5.364 1.00 0.00 H new ATOM 1843 N SER A 120 13.672 -7.313 -1.817 1.00 0.00 N ATOM 1844 CA SER A 120 13.243 -6.074 -1.178 1.00 0.00 C ATOM 1845 C SER A 120 13.213 -4.927 -2.183 1.00 0.00 C ATOM 1846 O SER A 120 12.244 -4.171 -2.251 1.00 0.00 O ATOM 1847 CB SER A 120 14.175 -5.725 -0.016 1.00 0.00 C ATOM 1848 OG SER A 120 13.504 -4.948 0.961 1.00 0.00 O ATOM 0 H SER A 120 14.350 -7.852 -1.279 1.00 0.00 H new ATOM 0 HA SER A 120 12.234 -6.223 -0.793 1.00 0.00 H new ATOM 0 HB2 SER A 120 14.552 -6.641 0.439 1.00 0.00 H new ATOM 0 HB3 SER A 120 15.039 -5.176 -0.391 1.00 0.00 H new ATOM 0 HG SER A 120 14.121 -4.740 1.694 1.00 0.00 H new ATOM 1854 N SER A 121 14.283 -4.803 -2.962 1.00 0.00 N ATOM 1855 CA SER A 121 14.382 -3.746 -3.962 1.00 0.00 C ATOM 1856 C SER A 121 13.027 -3.483 -4.612 1.00 0.00 C ATOM 1857 O SER A 121 12.673 -2.338 -4.897 1.00 0.00 O ATOM 1858 CB SER A 121 15.409 -4.122 -5.032 1.00 0.00 C ATOM 1859 OG SER A 121 15.886 -2.971 -5.708 1.00 0.00 O ATOM 0 H SER A 121 15.093 -5.421 -2.920 1.00 0.00 H new ATOM 0 HA SER A 121 14.707 -2.835 -3.460 1.00 0.00 H new ATOM 0 HB2 SER A 121 16.244 -4.648 -4.570 1.00 0.00 H new ATOM 0 HB3 SER A 121 14.957 -4.808 -5.749 1.00 0.00 H new ATOM 0 HG SER A 121 16.542 -3.238 -6.385 1.00 0.00 H new ATOM 1865 N LEU A 122 12.272 -4.552 -4.842 1.00 0.00 N ATOM 1866 CA LEU A 122 10.954 -4.439 -5.458 1.00 0.00 C ATOM 1867 C LEU A 122 9.883 -4.168 -4.407 1.00 0.00 C ATOM 1868 O LEU A 122 8.954 -3.394 -4.637 1.00 0.00 O ATOM 1869 CB LEU A 122 10.618 -5.717 -6.228 1.00 0.00 C ATOM 1870 CG LEU A 122 11.540 -6.057 -7.400 1.00 0.00 C ATOM 1871 CD1 LEU A 122 11.383 -7.517 -7.797 1.00 0.00 C ATOM 1872 CD2 LEU A 122 11.255 -5.146 -8.585 1.00 0.00 C ATOM 0 H LEU A 122 12.550 -5.506 -4.611 1.00 0.00 H new ATOM 0 HA LEU A 122 10.976 -3.599 -6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 122 10.630 -6.553 -5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 122 9.599 -5.632 -6.606 1.00 0.00 H new ATOM 0 HG LEU A 122 12.571 -5.897 -7.084 1.00 0.00 H new ATOM 0 HD11 LEU A 122 12.047 -7.740 -8.632 1.00 0.00 H new ATOM 0 HD12 LEU A 122 11.639 -8.154 -6.950 1.00 0.00 H new ATOM 0 HD13 LEU A 122 10.351 -7.704 -8.093 1.00 0.00 H new ATOM 0 HD21 LEU A 122 11.920 -5.402 -9.409 1.00 0.00 H new ATOM 0 HD22 LEU A 122 10.220 -5.273 -8.901 1.00 0.00 H new ATOM 0 HD23 LEU A 122 11.421 -4.109 -8.294 1.00 0.00 H new ATOM 1884 N VAL A 123 10.020 -4.810 -3.251 1.00 0.00 N ATOM 1885 CA VAL A 123 9.066 -4.636 -2.162 1.00 0.00 C ATOM 1886 C VAL A 123 8.936 -3.168 -1.775 1.00 0.00 C ATOM 1887 O VAL A 123 7.837 -2.614 -1.766 1.00 0.00 O ATOM 1888 CB VAL A 123 9.479 -5.449 -0.920 1.00 0.00 C ATOM 1889 CG1 VAL A 123 8.518 -5.189 0.231 1.00 0.00 C ATOM 1890 CG2 VAL A 123 9.539 -6.932 -1.250 1.00 0.00 C ATOM 0 H VAL A 123 10.782 -5.455 -3.045 1.00 0.00 H new ATOM 0 HA VAL A 123 8.104 -5.000 -2.522 1.00 0.00 H new ATOM 0 HB VAL A 123 10.474 -5.129 -0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 123 8.825 -5.771 1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 123 8.530 -4.128 0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 123 7.510 -5.481 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 123 9.832 -7.491 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 123 8.558 -7.270 -1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 123 10.270 -7.099 -2.041 1.00 0.00 H new ATOM 1900 N GLU A 124 10.065 -2.542 -1.456 1.00 0.00 N ATOM 1901 CA GLU A 124 10.075 -1.137 -1.068 1.00 0.00 C ATOM 1902 C GLU A 124 9.648 -0.247 -2.232 1.00 0.00 C ATOM 1903 O GLU A 124 9.133 0.852 -2.030 1.00 0.00 O ATOM 1904 CB GLU A 124 11.469 -0.729 -0.585 1.00 0.00 C ATOM 1905 CG GLU A 124 12.536 -0.815 -1.663 1.00 0.00 C ATOM 1906 CD GLU A 124 13.848 -0.187 -1.236 1.00 0.00 C ATOM 1907 OE1 GLU A 124 14.419 -0.639 -0.222 1.00 0.00 O ATOM 1908 OE2 GLU A 124 14.304 0.756 -1.916 1.00 0.00 O ATOM 0 H GLU A 124 10.983 -2.986 -1.459 1.00 0.00 H new ATOM 0 HA GLU A 124 9.362 -1.007 -0.254 1.00 0.00 H new ATOM 0 HB2 GLU A 124 11.429 0.292 -0.206 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.756 -1.368 0.250 1.00 0.00 H new ATOM 0 HG2 GLU A 124 12.705 -1.861 -1.920 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.177 -0.319 -2.565 1.00 0.00 H new ATOM 1915 N MET A 125 9.866 -0.732 -3.450 1.00 0.00 N ATOM 1916 CA MET A 125 9.503 0.019 -4.647 1.00 0.00 C ATOM 1917 C MET A 125 7.988 0.071 -4.817 1.00 0.00 C ATOM 1918 O MET A 125 7.397 1.150 -4.870 1.00 0.00 O ATOM 1919 CB MET A 125 10.145 -0.611 -5.884 1.00 0.00 C ATOM 1920 CG MET A 125 9.924 0.189 -7.157 1.00 0.00 C ATOM 1921 SD MET A 125 8.426 -0.298 -8.033 1.00 0.00 S ATOM 1922 CE MET A 125 8.884 -1.933 -8.605 1.00 0.00 C ATOM 0 H MET A 125 10.292 -1.640 -3.634 1.00 0.00 H new ATOM 0 HA MET A 125 9.874 1.038 -4.533 1.00 0.00 H new ATOM 0 HB2 MET A 125 11.216 -0.718 -5.713 1.00 0.00 H new ATOM 0 HB3 MET A 125 9.743 -1.615 -6.021 1.00 0.00 H new ATOM 0 HG2 MET A 125 9.867 1.249 -6.910 1.00 0.00 H new ATOM 0 HG3 MET A 125 10.783 0.061 -7.816 1.00 0.00 H new ATOM 0 HE1 MET A 125 8.301 -2.185 -9.491 1.00 0.00 H new ATOM 0 HE2 MET A 125 9.945 -1.948 -8.853 1.00 0.00 H new ATOM 0 HE3 MET A 125 8.685 -2.662 -7.820 1.00 0.00 H new ATOM 1932 N ILE A 126 7.366 -1.100 -4.901 1.00 0.00 N ATOM 1933 CA ILE A 126 5.920 -1.186 -5.065 1.00 0.00 C ATOM 1934 C ILE A 126 5.196 -0.380 -3.991 1.00 0.00 C ATOM 1935 O ILE A 126 4.049 0.027 -4.173 1.00 0.00 O ATOM 1936 CB ILE A 126 5.433 -2.646 -5.010 1.00 0.00 C ATOM 1937 CG1 ILE A 126 3.960 -2.731 -5.414 1.00 0.00 C ATOM 1938 CG2 ILE A 126 5.640 -3.222 -3.616 1.00 0.00 C ATOM 1939 CD1 ILE A 126 3.547 -4.100 -5.909 1.00 0.00 C ATOM 0 H ILE A 126 7.840 -2.002 -4.858 1.00 0.00 H new ATOM 0 HA ILE A 126 5.689 -0.771 -6.046 1.00 0.00 H new ATOM 0 HB ILE A 126 6.018 -3.235 -5.716 1.00 0.00 H new ATOM 0 HG12 ILE A 126 3.341 -2.461 -4.559 1.00 0.00 H new ATOM 0 HG13 ILE A 126 3.763 -1.996 -6.195 1.00 0.00 H new ATOM 0 HG21 ILE A 126 5.291 -4.254 -3.593 1.00 0.00 H new ATOM 0 HG22 ILE A 126 6.700 -3.192 -3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 126 5.078 -2.633 -2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 126 2.491 -4.086 -6.178 1.00 0.00 H new ATOM 0 HD12 ILE A 126 4.140 -4.365 -6.784 1.00 0.00 H new ATOM 0 HD13 ILE A 126 3.712 -4.836 -5.122 1.00 0.00 H new ATOM 1951 N PHE A 127 5.876 -0.152 -2.872 1.00 0.00 N ATOM 1952 CA PHE A 127 5.299 0.606 -1.768 1.00 0.00 C ATOM 1953 C PHE A 127 5.665 2.084 -1.873 1.00 0.00 C ATOM 1954 O PHE A 127 4.832 2.959 -1.639 1.00 0.00 O ATOM 1955 CB PHE A 127 5.779 0.044 -0.429 1.00 0.00 C ATOM 1956 CG PHE A 127 5.298 -1.353 -0.158 1.00 0.00 C ATOM 1957 CD1 PHE A 127 3.984 -1.709 -0.414 1.00 0.00 C ATOM 1958 CD2 PHE A 127 6.160 -2.310 0.352 1.00 0.00 C ATOM 1959 CE1 PHE A 127 3.539 -2.994 -0.165 1.00 0.00 C ATOM 1960 CE2 PHE A 127 5.721 -3.596 0.603 1.00 0.00 C ATOM 1961 CZ PHE A 127 4.408 -3.939 0.343 1.00 0.00 C ATOM 0 H PHE A 127 6.827 -0.481 -2.706 1.00 0.00 H new ATOM 0 HA PHE A 127 4.214 0.513 -1.825 1.00 0.00 H new ATOM 0 HB2 PHE A 127 6.869 0.055 -0.409 1.00 0.00 H new ATOM 0 HB3 PHE A 127 5.439 0.699 0.373 1.00 0.00 H new ATOM 0 HD1 PHE A 127 3.300 -0.975 -0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 127 7.188 -2.048 0.556 1.00 0.00 H new ATOM 0 HE1 PHE A 127 2.512 -3.259 -0.368 1.00 0.00 H new ATOM 0 HE2 PHE A 127 6.403 -4.332 1.002 1.00 0.00 H new ATOM 0 HZ PHE A 127 4.062 -4.944 0.537 1.00 0.00 H new ATOM 1971 N SER A 128 6.918 2.353 -2.226 1.00 0.00 N ATOM 1972 CA SER A 128 7.398 3.724 -2.358 1.00 0.00 C ATOM 1973 C SER A 128 6.649 4.457 -3.467 1.00 0.00 C ATOM 1974 O SER A 128 6.172 5.574 -3.274 1.00 0.00 O ATOM 1975 CB SER A 128 8.900 3.735 -2.647 1.00 0.00 C ATOM 1976 OG SER A 128 9.650 3.581 -1.455 1.00 0.00 O ATOM 0 H SER A 128 7.619 1.640 -2.426 1.00 0.00 H new ATOM 0 HA SER A 128 7.213 4.240 -1.416 1.00 0.00 H new ATOM 0 HB2 SER A 128 9.146 2.931 -3.341 1.00 0.00 H new ATOM 0 HB3 SER A 128 9.173 4.671 -3.134 1.00 0.00 H new ATOM 0 HG SER A 128 9.732 2.628 -1.241 1.00 0.00 H new ATOM 1982 N GLU A 129 6.551 3.818 -4.629 1.00 0.00 N ATOM 1983 CA GLU A 129 5.861 4.409 -5.769 1.00 0.00 C ATOM 1984 C GLU A 129 4.468 3.807 -5.935 1.00 0.00 C ATOM 1985 O GLU A 129 4.325 2.635 -6.281 1.00 0.00 O ATOM 1986 CB GLU A 129 6.674 4.201 -7.049 1.00 0.00 C ATOM 1987 CG GLU A 129 6.482 5.303 -8.077 1.00 0.00 C ATOM 1988 CD GLU A 129 5.045 5.418 -8.548 1.00 0.00 C ATOM 1989 OE1 GLU A 129 4.499 4.407 -9.037 1.00 0.00 O ATOM 1990 OE2 GLU A 129 4.467 6.518 -8.428 1.00 0.00 O ATOM 0 H GLU A 129 6.941 2.892 -4.805 1.00 0.00 H new ATOM 0 HA GLU A 129 5.756 5.478 -5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.731 4.136 -6.792 1.00 0.00 H new ATOM 0 HB3 GLU A 129 6.395 3.246 -7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 129 6.797 6.254 -7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 129 7.127 5.111 -8.934 1.00 0.00 H new ATOM 1997 N ASP A 130 3.447 4.618 -5.685 1.00 0.00 N ATOM 1998 CA ASP A 130 2.065 4.168 -5.806 1.00 0.00 C ATOM 1999 C ASP A 130 1.813 3.550 -7.178 1.00 0.00 C ATOM 2000 O ASP A 130 1.750 4.257 -8.185 1.00 0.00 O ATOM 2001 CB ASP A 130 1.103 5.334 -5.573 1.00 0.00 C ATOM 2002 CG ASP A 130 -0.202 5.167 -6.327 1.00 0.00 C ATOM 2003 OD1 ASP A 130 -0.619 4.010 -6.543 1.00 0.00 O ATOM 2004 OD2 ASP A 130 -0.805 6.194 -6.701 1.00 0.00 O ATOM 0 H ASP A 130 3.550 5.591 -5.397 1.00 0.00 H new ATOM 0 HA ASP A 130 1.889 3.406 -5.046 1.00 0.00 H new ATOM 0 HB2 ASP A 130 0.895 5.422 -4.507 1.00 0.00 H new ATOM 0 HB3 ASP A 130 1.581 6.263 -5.882 1.00 0.00 H new TER 2009 ASP A 130