USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 649 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 1 MET N :NH3+ 172:sc= 1.16 (180deg=0) USER MOD Set 1.2: A 91 ASN : amide:sc= 0.299! C(o=1.5!,f=-7.9!) USER MOD Set 2.1: A 59 SER OG : rot -79:sc= 1.21 USER MOD Set 2.2: A 73 CYS SG : rot 144:sc= -0.69 USER MOD Set 3.1: A 53 GLN : amide:sc= 0 K(o=2.3,f=0.17) USER MOD Set 3.2: A 54 ASN : amide:sc= 0.984 K(o=2.3,f=0.17) USER MOD Set 3.3: A 57 HIS : no HE2:sc= 1.3 K(o=2.3,f=-7.4!) USER MOD Set 4.1: A 14 ASN : amide:sc= 1.15 K(o=3.4,f=0.55!) USER MOD Set 4.2: A 18 THR OG1 : rot -105:sc= 2.28 USER MOD Set 5.1: A 7 SER OG : rot 89:sc= 0.655 USER MOD Set 5.2: A 23 CYS SG : rot -77:sc= -2.69! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -119:sc= -2.12! USER MOD Single : A 3 TYR OH : rot -120:sc= -0.637 USER MOD Single : A 6 SER OG : rot 57:sc= 0.392 USER MOD Single : A 9 ASN :FLIP amide:sc= -0.0402 F(o=-1.9!,f=-0.04) USER MOD Single : A 13 THR OG1 : rot 168:sc= -1.03! USER MOD Single : A 25 ASN : amide:sc= 0.673 K(o=0.67,f=-7.4!) USER MOD Single : A 29 ASN : amide:sc= 0.84 K(o=0.84,f=-0.95) USER MOD Single : A 32 THR OG1 : rot -32:sc= 1.23 USER MOD Single : A 33 SER OG : rot 166:sc= 1.28 USER MOD Single : A 39 THR OG1 : rot -22:sc= 0.327 USER MOD Single : A 40 CYS SG : rot -159:sc= -0.213! USER MOD Single : A 43 ASN : amide:sc= -4.87! C(o=-4.9!,f=-5.6!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 78:sc= 0.867 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 14:sc= 0.479 USER MOD Single : A 76 LYS NZ :NH3+ -139:sc= 1.13 (180deg=0.8) USER MOD Single : A 77 THR OG1 : rot -135:sc= 1.2 USER MOD Single : A 86 GLN :FLIP amide:sc= -2.07 F(o=-6.5!,f=-2.1) USER MOD Single : A 94 GLN :FLIP amide:sc= -0.0196 F(o=-1.8!,f=-0.02) USER MOD Single : A 95 ASN : amide:sc= -1.16 K(o=-1.2,f=-7.9!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.0608 F(o=-1.1,f=-0.061) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.709 14.349 -0.345 1.00 0.00 N ATOM 2 CA MET A 1 0.597 13.950 -0.917 1.00 0.00 C ATOM 3 C MET A 1 1.108 12.682 -0.249 1.00 0.00 C ATOM 4 O MET A 1 0.828 12.435 0.919 1.00 0.00 O ATOM 5 CB MET A 1 1.626 15.072 -0.749 1.00 0.00 C ATOM 6 CG MET A 1 1.425 16.238 -1.702 1.00 0.00 C ATOM 7 SD MET A 1 1.591 15.747 -3.429 1.00 0.00 S ATOM 8 CE MET A 1 1.339 17.319 -4.245 1.00 0.00 C ATOM 0 H1 MET A 1 -0.978 15.284 -0.713 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.432 13.651 -0.611 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.635 14.393 0.691 1.00 0.00 H new ATOM 0 HA MET A 1 0.454 13.758 -1.980 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.583 15.441 0.276 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.625 14.661 -0.898 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.436 16.668 -1.542 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.152 17.018 -1.477 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.411 17.184 -5.324 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.352 17.706 -3.993 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.100 18.026 -3.916 1.00 0.00 H new ATOM 16 N SER A 2 1.837 11.868 -0.996 1.00 0.00 N ATOM 17 CA SER A 2 2.391 10.640 -0.452 1.00 0.00 C ATOM 18 C SER A 2 3.912 10.675 -0.500 1.00 0.00 C ATOM 19 O SER A 2 4.499 11.617 -1.040 1.00 0.00 O ATOM 20 CB SER A 2 1.877 9.419 -1.220 1.00 0.00 C ATOM 21 OG SER A 2 0.464 9.395 -1.252 1.00 0.00 O ATOM 0 H SER A 2 2.058 12.035 -1.978 1.00 0.00 H new ATOM 0 HA SER A 2 2.068 10.559 0.586 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.267 9.435 -2.238 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.249 8.508 -0.751 1.00 0.00 H new ATOM 0 HG SER A 2 0.141 8.579 -0.817 1.00 0.00 H new ATOM 26 N TYR A 3 4.536 9.655 0.061 1.00 0.00 N ATOM 27 CA TYR A 3 5.991 9.544 0.073 1.00 0.00 C ATOM 28 C TYR A 3 6.566 9.622 -1.344 1.00 0.00 C ATOM 29 O TYR A 3 7.654 10.160 -1.549 1.00 0.00 O ATOM 30 CB TYR A 3 6.410 8.226 0.734 1.00 0.00 C ATOM 31 CG TYR A 3 5.972 6.983 -0.021 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.634 6.609 -0.077 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.902 6.186 -0.679 1.00 0.00 C ATOM 34 CE1 TYR A 3 4.238 5.483 -0.764 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.509 5.055 -1.369 1.00 0.00 C ATOM 36 CZ TYR A 3 5.178 4.709 -1.408 1.00 0.00 C ATOM 37 OH TYR A 3 4.786 3.584 -2.092 1.00 0.00 O ATOM 0 H TYR A 3 4.055 8.882 0.520 1.00 0.00 H new ATOM 0 HA TYR A 3 6.389 10.381 0.647 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.495 8.212 0.835 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.996 8.190 1.742 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.893 7.212 0.427 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.948 6.455 -0.650 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.194 5.208 -0.798 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.243 4.446 -1.875 1.00 0.00 H new ATOM 0 HH TYR A 3 5.228 2.798 -1.709 1.00 0.00 H new ATOM 46 N ALA A 4 5.796 9.119 -2.313 1.00 0.00 N ATOM 47 CA ALA A 4 6.199 9.087 -3.723 1.00 0.00 C ATOM 48 C ALA A 4 6.648 10.453 -4.245 1.00 0.00 C ATOM 49 O ALA A 4 7.350 10.535 -5.254 1.00 0.00 O ATOM 50 CB ALA A 4 5.058 8.548 -4.570 1.00 0.00 C ATOM 0 H ALA A 4 4.873 8.721 -2.142 1.00 0.00 H new ATOM 0 HA ALA A 4 7.063 8.426 -3.797 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.361 8.526 -5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.807 7.539 -4.243 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.186 9.192 -4.458 1.00 0.00 H new ATOM 56 N ASP A 5 6.233 11.519 -3.568 1.00 0.00 N ATOM 57 CA ASP A 5 6.618 12.874 -3.953 1.00 0.00 C ATOM 58 C ASP A 5 8.140 13.015 -4.010 1.00 0.00 C ATOM 59 O ASP A 5 8.686 13.619 -4.936 1.00 0.00 O ATOM 60 CB ASP A 5 6.053 13.890 -2.960 1.00 0.00 C ATOM 61 CG ASP A 5 6.493 15.306 -3.269 1.00 0.00 C ATOM 62 OD1 ASP A 5 5.812 15.983 -4.069 1.00 0.00 O ATOM 63 OD2 ASP A 5 7.519 15.753 -2.714 1.00 0.00 O ATOM 0 H ASP A 5 5.628 11.471 -2.748 1.00 0.00 H new ATOM 0 HA ASP A 5 6.208 13.068 -4.944 1.00 0.00 H new ATOM 0 HB2 ASP A 5 4.964 13.840 -2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.372 13.625 -1.952 1.00 0.00 H new ATOM 67 N SER A 6 8.816 12.444 -3.021 1.00 0.00 N ATOM 68 CA SER A 6 10.265 12.495 -2.949 1.00 0.00 C ATOM 69 C SER A 6 10.824 11.100 -2.671 1.00 0.00 C ATOM 70 O SER A 6 11.800 10.939 -1.939 1.00 0.00 O ATOM 71 CB SER A 6 10.703 13.479 -1.859 1.00 0.00 C ATOM 72 OG SER A 6 10.184 14.778 -2.104 1.00 0.00 O ATOM 0 H SER A 6 8.376 11.937 -2.253 1.00 0.00 H new ATOM 0 HA SER A 6 10.658 12.841 -3.905 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.361 13.125 -0.886 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.791 13.521 -1.818 1.00 0.00 H new ATOM 0 HG SER A 6 9.207 14.733 -2.168 1.00 0.00 H new ATOM 77 N SER A 7 10.174 10.096 -3.245 1.00 0.00 N ATOM 78 CA SER A 7 10.590 8.709 -3.084 1.00 0.00 C ATOM 79 C SER A 7 10.335 7.949 -4.378 1.00 0.00 C ATOM 80 O SER A 7 9.459 8.324 -5.158 1.00 0.00 O ATOM 81 CB SER A 7 9.828 8.043 -1.935 1.00 0.00 C ATOM 82 OG SER A 7 9.922 8.807 -0.743 1.00 0.00 O ATOM 0 H SER A 7 9.349 10.219 -3.832 1.00 0.00 H new ATOM 0 HA SER A 7 11.654 8.689 -2.849 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.780 7.924 -2.211 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.228 7.044 -1.762 1.00 0.00 H new ATOM 0 HG SER A 7 9.187 9.455 -0.711 1.00 0.00 H new ATOM 87 N ARG A 8 11.105 6.900 -4.613 1.00 0.00 N ATOM 88 CA ARG A 8 10.952 6.097 -5.817 1.00 0.00 C ATOM 89 C ARG A 8 11.342 4.654 -5.542 1.00 0.00 C ATOM 90 O ARG A 8 11.841 4.345 -4.460 1.00 0.00 O ATOM 91 CB ARG A 8 11.782 6.686 -6.962 1.00 0.00 C ATOM 92 CG ARG A 8 13.243 6.937 -6.614 1.00 0.00 C ATOM 93 CD ARG A 8 13.907 7.818 -7.661 1.00 0.00 C ATOM 94 NE ARG A 8 13.203 9.092 -7.814 1.00 0.00 N ATOM 95 CZ ARG A 8 13.696 10.161 -8.436 1.00 0.00 C ATOM 96 NH1 ARG A 8 14.918 10.139 -8.959 1.00 0.00 N ATOM 97 NH2 ARG A 8 12.957 11.260 -8.521 1.00 0.00 N ATOM 0 H ARG A 8 11.844 6.583 -3.985 1.00 0.00 H new ATOM 0 HA ARG A 8 9.905 6.112 -6.119 1.00 0.00 H new ATOM 0 HB2 ARG A 8 11.735 6.008 -7.815 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.329 7.626 -7.277 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.311 7.413 -5.636 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.773 5.987 -6.544 1.00 0.00 H new ATOM 0 HD2 ARG A 8 14.943 8.005 -7.377 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.928 7.296 -8.617 1.00 0.00 H new ATOM 0 HE ARG A 8 12.267 9.166 -7.415 1.00 0.00 H new ATOM 0 HH11 ARG A 8 15.489 9.297 -8.886 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.285 10.964 -9.433 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.023 11.279 -8.112 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.323 12.086 -8.995 1.00 0.00 H new ATOM 108 N ASN A 9 11.105 3.780 -6.521 1.00 0.00 N ATOM 109 CA ASN A 9 11.419 2.351 -6.395 1.00 0.00 C ATOM 110 C ASN A 9 10.525 1.698 -5.345 1.00 0.00 C ATOM 111 O ASN A 9 10.995 0.928 -4.505 1.00 0.00 O ATOM 112 CB ASN A 9 12.896 2.116 -6.028 1.00 0.00 C ATOM 113 CG ASN A 9 13.862 2.398 -7.165 1.00 0.00 C ATOM 114 OD1 ASN A 9 13.550 3.382 -7.993 1.00 0.00 O flip ATOM 115 ND2 ASN A 9 14.898 1.745 -7.284 1.00 0.00 N flip ATOM 0 H ASN A 9 10.693 4.037 -7.418 1.00 0.00 H new ATOM 0 HA ASN A 9 11.234 1.897 -7.368 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.155 2.748 -5.179 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.021 1.082 -5.706 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.105 0.993 -6.626 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.549 1.955 -8.040 1.00 0.00 H new ATOM 121 N ALA A 10 9.238 2.017 -5.394 1.00 0.00 N ATOM 122 CA ALA A 10 8.281 1.465 -4.448 1.00 0.00 C ATOM 123 C ALA A 10 7.718 0.138 -4.937 1.00 0.00 C ATOM 124 O ALA A 10 7.084 0.065 -5.988 1.00 0.00 O ATOM 125 CB ALA A 10 7.155 2.456 -4.196 1.00 0.00 C ATOM 0 H ALA A 10 8.834 2.655 -6.079 1.00 0.00 H new ATOM 0 HA ALA A 10 8.807 1.280 -3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.447 2.029 -3.486 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.567 3.379 -3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.643 2.672 -5.134 1.00 0.00 H new ATOM 131 N VAL A 11 7.965 -0.911 -4.168 1.00 0.00 N ATOM 132 CA VAL A 11 7.478 -2.240 -4.500 1.00 0.00 C ATOM 133 C VAL A 11 6.603 -2.767 -3.372 1.00 0.00 C ATOM 134 O VAL A 11 6.472 -2.128 -2.325 1.00 0.00 O ATOM 135 CB VAL A 11 8.632 -3.238 -4.752 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.523 -2.765 -5.892 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.443 -3.457 -3.487 1.00 0.00 C ATOM 0 H VAL A 11 8.504 -0.866 -3.303 1.00 0.00 H new ATOM 0 HA VAL A 11 6.900 -2.152 -5.420 1.00 0.00 H new ATOM 0 HB VAL A 11 8.193 -4.193 -5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.326 -3.485 -6.048 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.932 -2.677 -6.804 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.950 -1.794 -5.641 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.249 -4.163 -3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.866 -2.508 -3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.797 -3.858 -2.706 1.00 0.00 H new ATOM 147 N LEU A 12 6.026 -3.941 -3.577 1.00 0.00 N ATOM 148 CA LEU A 12 5.163 -4.548 -2.578 1.00 0.00 C ATOM 149 C LEU A 12 5.896 -5.686 -1.890 1.00 0.00 C ATOM 150 O LEU A 12 6.211 -6.699 -2.517 1.00 0.00 O ATOM 151 CB LEU A 12 3.873 -5.085 -3.222 1.00 0.00 C ATOM 152 CG LEU A 12 2.881 -4.033 -3.738 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.600 -2.998 -2.660 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.387 -3.375 -5.020 1.00 0.00 C ATOM 0 H LEU A 12 6.141 -4.492 -4.428 1.00 0.00 H new ATOM 0 HA LEU A 12 4.896 -3.785 -1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.150 -5.732 -4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.360 -5.709 -2.491 1.00 0.00 H new ATOM 0 HG LEU A 12 1.945 -4.536 -3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.895 -2.259 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.174 -3.490 -1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.530 -2.503 -2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.662 -2.635 -5.360 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.341 -2.885 -4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.519 -4.134 -5.791 1.00 0.00 H new ATOM 165 N THR A 13 6.166 -5.523 -0.608 1.00 0.00 N ATOM 166 CA THR A 13 6.870 -6.543 0.149 1.00 0.00 C ATOM 167 C THR A 13 5.919 -7.282 1.081 1.00 0.00 C ATOM 168 O THR A 13 4.793 -6.817 1.336 1.00 0.00 O ATOM 169 CB THR A 13 8.049 -5.939 0.941 1.00 0.00 C ATOM 170 OG1 THR A 13 7.616 -4.796 1.687 1.00 0.00 O ATOM 171 CG2 THR A 13 9.172 -5.533 0.000 1.00 0.00 C ATOM 0 H THR A 13 5.909 -4.696 -0.069 1.00 0.00 H new ATOM 0 HA THR A 13 7.277 -7.261 -0.563 1.00 0.00 H new ATOM 0 HB THR A 13 8.418 -6.699 1.630 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.315 -4.536 2.322 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.994 -5.109 0.576 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.524 -6.409 -0.545 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.804 -4.790 -0.707 1.00 0.00 H new ATOM 179 N ASN A 14 6.362 -8.444 1.562 1.00 0.00 N ATOM 180 CA ASN A 14 5.568 -9.280 2.459 1.00 0.00 C ATOM 181 C ASN A 14 4.287 -9.743 1.772 1.00 0.00 C ATOM 182 O ASN A 14 3.230 -9.830 2.395 1.00 0.00 O ATOM 183 CB ASN A 14 5.239 -8.535 3.758 1.00 0.00 C ATOM 184 CG ASN A 14 6.407 -8.487 4.724 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.207 -9.419 4.799 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.519 -7.397 5.462 1.00 0.00 N ATOM 0 H ASN A 14 7.280 -8.830 1.341 1.00 0.00 H new ATOM 0 HA ASN A 14 6.162 -10.158 2.712 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.930 -7.517 3.519 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.392 -9.019 4.244 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.290 -7.306 6.124 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.835 -6.646 5.370 1.00 0.00 H new ATOM 192 N GLY A 15 4.383 -10.015 0.475 1.00 0.00 N ATOM 193 CA GLY A 15 3.227 -10.475 -0.273 1.00 0.00 C ATOM 194 C GLY A 15 2.464 -9.339 -0.929 1.00 0.00 C ATOM 195 O GLY A 15 2.010 -9.455 -2.070 1.00 0.00 O ATOM 0 H GLY A 15 5.240 -9.925 -0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.552 -11.179 -1.039 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.559 -11.017 0.396 1.00 0.00 H new ATOM 199 N GLY A 16 2.331 -8.240 -0.205 1.00 0.00 N ATOM 200 CA GLY A 16 1.620 -7.083 -0.709 1.00 0.00 C ATOM 201 C GLY A 16 0.931 -6.341 0.412 1.00 0.00 C ATOM 202 O GLY A 16 -0.282 -6.150 0.397 1.00 0.00 O ATOM 0 H GLY A 16 2.708 -8.127 0.736 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.317 -6.416 -1.217 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.884 -7.398 -1.448 1.00 0.00 H new ATOM 206 N ARG A 17 1.711 -5.951 1.402 1.00 0.00 N ATOM 207 CA ARG A 17 1.189 -5.238 2.556 1.00 0.00 C ATOM 208 C ARG A 17 2.144 -4.142 3.004 1.00 0.00 C ATOM 209 O ARG A 17 1.724 -3.101 3.510 1.00 0.00 O ATOM 210 CB ARG A 17 0.949 -6.218 3.703 1.00 0.00 C ATOM 211 CG ARG A 17 2.059 -7.244 3.857 1.00 0.00 C ATOM 212 CD ARG A 17 1.987 -7.969 5.185 1.00 0.00 C ATOM 213 NE ARG A 17 2.538 -7.155 6.265 1.00 0.00 N ATOM 214 CZ ARG A 17 2.433 -7.453 7.557 1.00 0.00 C ATOM 215 NH1 ARG A 17 1.757 -8.528 7.946 1.00 0.00 N ATOM 216 NH2 ARG A 17 3.007 -6.663 8.454 1.00 0.00 N ATOM 0 H ARG A 17 2.717 -6.117 1.431 1.00 0.00 H new ATOM 0 HA ARG A 17 0.247 -4.771 2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.848 -5.660 4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.005 -6.736 3.538 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.997 -7.969 3.045 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.025 -6.748 3.768 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.950 -8.220 5.409 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.535 -8.909 5.119 1.00 0.00 H new ATOM 0 HE ARG A 17 3.036 -6.302 6.012 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.315 -9.131 7.252 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.680 -8.751 8.938 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.522 -5.837 8.150 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.933 -6.882 9.448 1.00 0.00 H new ATOM 227 N THR A 18 3.428 -4.385 2.817 1.00 0.00 N ATOM 228 CA THR A 18 4.443 -3.436 3.205 1.00 0.00 C ATOM 229 C THR A 18 4.973 -2.695 1.980 1.00 0.00 C ATOM 230 O THR A 18 5.163 -3.292 0.918 1.00 0.00 O ATOM 231 CB THR A 18 5.593 -4.165 3.920 1.00 0.00 C ATOM 232 OG1 THR A 18 5.054 -5.158 4.807 1.00 0.00 O ATOM 233 CG2 THR A 18 6.450 -3.191 4.711 1.00 0.00 C ATOM 0 H THR A 18 3.790 -5.240 2.395 1.00 0.00 H new ATOM 0 HA THR A 18 4.003 -2.709 3.887 1.00 0.00 H new ATOM 0 HB THR A 18 6.220 -4.640 3.165 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.123 -4.842 5.732 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.255 -3.734 5.206 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.875 -2.449 4.035 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.836 -2.691 5.460 1.00 0.00 H new ATOM 241 N LEU A 19 5.173 -1.394 2.121 1.00 0.00 N ATOM 242 CA LEU A 19 5.687 -0.576 1.033 1.00 0.00 C ATOM 243 C LEU A 19 7.180 -0.349 1.186 1.00 0.00 C ATOM 244 O LEU A 19 7.616 0.309 2.128 1.00 0.00 O ATOM 245 CB LEU A 19 4.979 0.782 0.988 1.00 0.00 C ATOM 246 CG LEU A 19 3.542 0.764 0.476 1.00 0.00 C ATOM 247 CD1 LEU A 19 2.998 2.182 0.402 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.465 0.094 -0.886 1.00 0.00 C ATOM 0 H LEU A 19 4.986 -0.880 2.982 1.00 0.00 H new ATOM 0 HA LEU A 19 5.496 -1.113 0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.982 1.206 1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.561 1.454 0.357 1.00 0.00 H new ATOM 0 HG LEU A 19 2.932 0.188 1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.972 2.159 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.019 2.632 1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.613 2.773 -0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.432 0.092 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.085 0.641 -1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.823 -0.932 -0.807 1.00 0.00 H new ATOM 259 N ARG A 20 7.959 -0.901 0.272 1.00 0.00 N ATOM 260 CA ARG A 20 9.400 -0.721 0.303 1.00 0.00 C ATOM 261 C ARG A 20 9.804 0.240 -0.804 1.00 0.00 C ATOM 262 O ARG A 20 9.556 -0.032 -1.977 1.00 0.00 O ATOM 263 CB ARG A 20 10.112 -2.059 0.105 1.00 0.00 C ATOM 264 CG ARG A 20 11.609 -1.999 0.367 1.00 0.00 C ATOM 265 CD ARG A 20 12.404 -2.600 -0.780 1.00 0.00 C ATOM 266 NE ARG A 20 12.332 -1.778 -1.988 1.00 0.00 N ATOM 267 CZ ARG A 20 12.593 -2.226 -3.215 1.00 0.00 C ATOM 268 NH1 ARG A 20 12.933 -3.497 -3.411 1.00 0.00 N ATOM 269 NH2 ARG A 20 12.498 -1.402 -4.250 1.00 0.00 N ATOM 0 H ARG A 20 7.619 -1.476 -0.499 1.00 0.00 H new ATOM 0 HA ARG A 20 9.688 -0.316 1.273 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.665 -2.800 0.768 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.944 -2.402 -0.916 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.911 -0.962 0.516 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.839 -2.533 1.289 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.446 -2.712 -0.479 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.026 -3.599 -0.998 1.00 0.00 H new ATOM 0 HE ARG A 20 12.065 -0.799 -1.884 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.995 -4.136 -2.619 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.131 -3.832 -4.354 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.226 -0.430 -4.105 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.697 -1.741 -5.191 1.00 0.00 H new ATOM 280 N ALA A 21 10.427 1.348 -0.439 1.00 0.00 N ATOM 281 CA ALA A 21 10.839 2.337 -1.423 1.00 0.00 C ATOM 282 C ALA A 21 12.041 3.135 -0.949 1.00 0.00 C ATOM 283 O ALA A 21 12.396 3.106 0.233 1.00 0.00 O ATOM 284 CB ALA A 21 9.682 3.279 -1.725 1.00 0.00 C ATOM 0 H ALA A 21 10.658 1.585 0.526 1.00 0.00 H new ATOM 0 HA ALA A 21 11.128 1.804 -2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.997 4.017 -2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.841 2.708 -2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.378 3.787 -0.810 1.00 0.00 H new ATOM 290 N GLU A 22 12.652 3.849 -1.880 1.00 0.00 N ATOM 291 CA GLU A 22 13.794 4.690 -1.584 1.00 0.00 C ATOM 292 C GLU A 22 13.287 6.074 -1.235 1.00 0.00 C ATOM 293 O GLU A 22 12.808 6.801 -2.105 1.00 0.00 O ATOM 294 CB GLU A 22 14.730 4.765 -2.793 1.00 0.00 C ATOM 295 CG GLU A 22 15.419 3.449 -3.106 1.00 0.00 C ATOM 296 CD GLU A 22 16.422 3.043 -2.046 1.00 0.00 C ATOM 297 OE1 GLU A 22 17.580 3.507 -2.110 1.00 0.00 O ATOM 298 OE2 GLU A 22 16.063 2.242 -1.158 1.00 0.00 O ATOM 0 H GLU A 22 12.369 3.860 -2.860 1.00 0.00 H new ATOM 0 HA GLU A 22 14.354 4.271 -0.748 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.160 5.084 -3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.487 5.528 -2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.667 2.666 -3.207 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.926 3.530 -4.067 1.00 0.00 H new ATOM 303 N CYS A 23 13.358 6.422 0.038 1.00 0.00 N ATOM 304 CA CYS A 23 12.877 7.714 0.494 1.00 0.00 C ATOM 305 C CYS A 23 14.033 8.689 0.642 1.00 0.00 C ATOM 306 O CYS A 23 15.033 8.378 1.285 1.00 0.00 O ATOM 307 CB CYS A 23 12.153 7.549 1.828 1.00 0.00 C ATOM 308 SG CYS A 23 10.924 6.222 1.831 1.00 0.00 S ATOM 0 H CYS A 23 13.743 5.829 0.773 1.00 0.00 H new ATOM 0 HA CYS A 23 12.183 8.114 -0.245 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.888 7.352 2.608 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.661 8.488 2.083 1.00 0.00 H new ATOM 0 HG CYS A 23 9.853 6.621 1.213 1.00 0.00 H new ATOM 313 N ARG A 24 13.912 9.854 0.024 1.00 0.00 N ATOM 314 CA ARG A 24 14.947 10.857 0.114 1.00 0.00 C ATOM 315 C ARG A 24 14.911 11.507 1.487 1.00 0.00 C ATOM 316 O ARG A 24 13.978 12.245 1.809 1.00 0.00 O ATOM 317 CB ARG A 24 14.746 11.896 -0.976 1.00 0.00 C ATOM 318 CG ARG A 24 16.031 12.566 -1.401 1.00 0.00 C ATOM 319 CD ARG A 24 15.870 13.237 -2.749 1.00 0.00 C ATOM 320 NE ARG A 24 15.180 14.526 -2.656 1.00 0.00 N ATOM 321 CZ ARG A 24 14.982 15.335 -3.697 1.00 0.00 C ATOM 322 NH1 ARG A 24 15.439 15.004 -4.899 1.00 0.00 N ATOM 323 NH2 ARG A 24 14.347 16.489 -3.533 1.00 0.00 N ATOM 0 H ARG A 24 13.107 10.122 -0.542 1.00 0.00 H new ATOM 0 HA ARG A 24 15.922 10.391 -0.024 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.288 11.420 -1.843 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.048 12.654 -0.622 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.325 13.305 -0.655 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.832 11.828 -1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.853 13.386 -3.196 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.313 12.578 -3.415 1.00 0.00 H new ATOM 0 HE ARG A 24 14.832 14.821 -1.744 1.00 0.00 H new ATOM 0 HH11 ARG A 24 15.944 14.127 -5.029 1.00 0.00 H new ATOM 0 HH12 ARG A 24 15.285 15.626 -5.692 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.009 16.758 -2.609 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.197 17.106 -4.331 1.00 0.00 H new ATOM 334 N ASN A 25 15.918 11.218 2.300 1.00 0.00 N ATOM 335 CA ASN A 25 15.976 11.766 3.648 1.00 0.00 C ATOM 336 C ASN A 25 16.656 13.126 3.647 1.00 0.00 C ATOM 337 O ASN A 25 17.182 13.544 2.614 1.00 0.00 O ATOM 338 CB ASN A 25 16.685 10.809 4.622 1.00 0.00 C ATOM 339 CG ASN A 25 18.198 10.829 4.516 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.858 11.622 5.179 1.00 0.00 O ATOM 341 ND2 ASN A 25 18.754 9.944 3.703 1.00 0.00 N ATOM 0 H ASN A 25 16.700 10.612 2.052 1.00 0.00 H new ATOM 0 HA ASN A 25 14.950 11.889 3.995 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.399 11.068 5.642 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.332 9.794 4.440 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.769 9.904 3.610 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.167 9.302 3.170 1.00 0.00 H new ATOM 347 N ALA A 26 16.653 13.795 4.799 1.00 0.00 N ATOM 348 CA ALA A 26 17.244 15.131 4.950 1.00 0.00 C ATOM 349 C ALA A 26 18.642 15.255 4.330 1.00 0.00 C ATOM 350 O ALA A 26 18.993 16.306 3.786 1.00 0.00 O ATOM 351 CB ALA A 26 17.295 15.506 6.423 1.00 0.00 C ATOM 0 H ALA A 26 16.241 13.429 5.657 1.00 0.00 H new ATOM 0 HA ALA A 26 16.601 15.821 4.403 1.00 0.00 H new ATOM 0 HB1 ALA A 26 17.734 16.498 6.531 1.00 0.00 H new ATOM 0 HB2 ALA A 26 16.285 15.510 6.833 1.00 0.00 H new ATOM 0 HB3 ALA A 26 17.903 14.780 6.963 1.00 0.00 H new ATOM 357 N ASP A 27 19.424 14.179 4.380 1.00 0.00 N ATOM 358 CA ASP A 27 20.787 14.175 3.832 1.00 0.00 C ATOM 359 C ASP A 27 20.768 14.297 2.307 1.00 0.00 C ATOM 360 O ASP A 27 21.795 14.524 1.667 1.00 0.00 O ATOM 361 CB ASP A 27 21.505 12.891 4.259 1.00 0.00 C ATOM 362 CG ASP A 27 22.895 12.743 3.669 1.00 0.00 C ATOM 363 OD1 ASP A 27 23.732 13.648 3.863 1.00 0.00 O ATOM 364 OD2 ASP A 27 23.163 11.709 3.021 1.00 0.00 O ATOM 0 H ASP A 27 19.139 13.292 4.796 1.00 0.00 H new ATOM 0 HA ASP A 27 21.325 15.037 4.226 1.00 0.00 H new ATOM 0 HB2 ASP A 27 21.578 12.871 5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.902 12.033 3.964 1.00 0.00 H new ATOM 368 N GLY A 28 19.584 14.161 1.736 1.00 0.00 N ATOM 369 CA GLY A 28 19.427 14.253 0.301 1.00 0.00 C ATOM 370 C GLY A 28 19.760 12.946 -0.369 1.00 0.00 C ATOM 371 O GLY A 28 20.113 12.908 -1.546 1.00 0.00 O ATOM 0 H GLY A 28 18.719 13.986 2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.402 14.536 0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 28 20.074 15.039 -0.088 1.00 0.00 H new ATOM 375 N ASN A 29 19.652 11.867 0.391 1.00 0.00 N ATOM 376 CA ASN A 29 19.965 10.545 -0.115 1.00 0.00 C ATOM 377 C ASN A 29 18.785 9.601 0.047 1.00 0.00 C ATOM 378 O ASN A 29 17.886 9.847 0.854 1.00 0.00 O ATOM 379 CB ASN A 29 21.183 10.004 0.620 1.00 0.00 C ATOM 380 CG ASN A 29 22.470 10.218 -0.154 1.00 0.00 C ATOM 381 OD1 ASN A 29 22.497 10.137 -1.380 1.00 0.00 O ATOM 382 ND2 ASN A 29 23.539 10.534 0.556 1.00 0.00 N ATOM 0 H ASN A 29 19.348 11.884 1.365 1.00 0.00 H new ATOM 0 HA ASN A 29 20.183 10.618 -1.180 1.00 0.00 H new ATOM 0 HB2 ASN A 29 21.262 10.490 1.592 1.00 0.00 H new ATOM 0 HB3 ASN A 29 21.048 8.939 0.806 1.00 0.00 H new ATOM 0 HD21 ASN A 29 24.426 10.720 0.087 1.00 0.00 H new ATOM 0 HD22 ASN A 29 23.477 10.591 1.573 1.00 0.00 H new ATOM 388 N TRP A 30 18.801 8.521 -0.720 1.00 0.00 N ATOM 389 CA TRP A 30 17.729 7.541 -0.693 1.00 0.00 C ATOM 390 C TRP A 30 17.971 6.491 0.375 1.00 0.00 C ATOM 391 O TRP A 30 19.067 5.936 0.482 1.00 0.00 O ATOM 392 CB TRP A 30 17.611 6.842 -2.046 1.00 0.00 C ATOM 393 CG TRP A 30 17.453 7.776 -3.202 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.389 8.067 -4.150 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.293 8.539 -3.532 1.00 0.00 C ATOM 396 NE1 TRP A 30 17.876 8.965 -5.052 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.590 9.270 -4.694 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.030 8.676 -2.959 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.670 10.121 -5.291 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.116 9.520 -3.553 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.440 10.235 -4.711 1.00 0.00 C ATOM 0 H TRP A 30 19.552 8.301 -1.374 1.00 0.00 H new ATOM 0 HA TRP A 30 16.806 8.076 -0.468 1.00 0.00 H new ATOM 0 HB2 TRP A 30 18.499 6.230 -2.206 1.00 0.00 H new ATOM 0 HB3 TRP A 30 16.757 6.165 -2.020 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.386 7.652 -4.186 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.372 9.344 -5.859 1.00 0.00 H new ATOM 0 HE3 TRP A 30 14.771 8.130 -2.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.919 10.674 -6.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.134 9.631 -3.117 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.703 10.889 -5.154 1.00 0.00 H new ATOM 411 N VAL A 31 16.948 6.234 1.169 1.00 0.00 N ATOM 412 CA VAL A 31 17.018 5.226 2.210 1.00 0.00 C ATOM 413 C VAL A 31 15.866 4.247 2.055 1.00 0.00 C ATOM 414 O VAL A 31 14.734 4.650 1.770 1.00 0.00 O ATOM 415 CB VAL A 31 16.992 5.829 3.631 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.328 6.479 3.961 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.856 6.829 3.784 1.00 0.00 C ATOM 0 H VAL A 31 16.050 6.715 1.111 1.00 0.00 H new ATOM 0 HA VAL A 31 17.973 4.714 2.093 1.00 0.00 H new ATOM 0 HB VAL A 31 16.819 5.017 4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.290 6.898 4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.119 5.731 3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.533 7.274 3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.864 7.236 4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.985 7.639 3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.905 6.330 3.601 1.00 0.00 H new ATOM 427 N THR A 32 16.161 2.968 2.209 1.00 0.00 N ATOM 428 CA THR A 32 15.152 1.939 2.091 1.00 0.00 C ATOM 429 C THR A 32 14.275 1.918 3.339 1.00 0.00 C ATOM 430 O THR A 32 14.720 1.529 4.421 1.00 0.00 O ATOM 431 CB THR A 32 15.793 0.555 1.886 1.00 0.00 C ATOM 432 OG1 THR A 32 16.692 0.596 0.769 1.00 0.00 O ATOM 433 CG2 THR A 32 14.733 -0.512 1.646 1.00 0.00 C ATOM 0 H THR A 32 17.097 2.620 2.417 1.00 0.00 H new ATOM 0 HA THR A 32 14.539 2.168 1.220 1.00 0.00 H new ATOM 0 HB THR A 32 16.341 0.298 2.792 1.00 0.00 H new ATOM 0 HG1 THR A 32 16.363 1.241 0.108 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.216 -1.479 1.505 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.066 -0.562 2.506 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.158 -0.260 0.755 1.00 0.00 H new ATOM 441 N SER A 33 13.041 2.353 3.180 1.00 0.00 N ATOM 442 CA SER A 33 12.097 2.389 4.285 1.00 0.00 C ATOM 443 C SER A 33 10.860 1.575 3.937 1.00 0.00 C ATOM 444 O SER A 33 10.444 1.534 2.776 1.00 0.00 O ATOM 445 CB SER A 33 11.717 3.835 4.601 1.00 0.00 C ATOM 446 OG SER A 33 12.863 4.602 4.941 1.00 0.00 O ATOM 0 H SER A 33 12.665 2.688 2.293 1.00 0.00 H new ATOM 0 HA SER A 33 12.563 1.953 5.168 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.220 4.280 3.739 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.004 3.855 5.425 1.00 0.00 H new ATOM 0 HG SER A 33 12.638 5.556 4.913 1.00 0.00 H new ATOM 451 N GLU A 34 10.292 0.912 4.936 1.00 0.00 N ATOM 452 CA GLU A 34 9.108 0.094 4.729 1.00 0.00 C ATOM 453 C GLU A 34 8.011 0.439 5.729 1.00 0.00 C ATOM 454 O GLU A 34 8.271 0.604 6.922 1.00 0.00 O ATOM 455 CB GLU A 34 9.455 -1.391 4.844 1.00 0.00 C ATOM 456 CG GLU A 34 10.355 -1.898 3.732 1.00 0.00 C ATOM 457 CD GLU A 34 10.574 -3.395 3.797 1.00 0.00 C ATOM 458 OE1 GLU A 34 9.724 -4.149 3.275 1.00 0.00 O ATOM 459 OE2 GLU A 34 11.603 -3.827 4.360 1.00 0.00 O ATOM 0 H GLU A 34 10.633 0.926 5.897 1.00 0.00 H new ATOM 0 HA GLU A 34 8.739 0.303 3.725 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.943 -1.567 5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.532 -1.971 4.845 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.916 -1.640 2.768 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.318 -1.391 3.789 1.00 0.00 H new ATOM 464 N LEU A 35 6.788 0.553 5.229 1.00 0.00 N ATOM 465 CA LEU A 35 5.632 0.854 6.067 1.00 0.00 C ATOM 466 C LEU A 35 4.545 -0.174 5.782 1.00 0.00 C ATOM 467 O LEU A 35 4.242 -0.457 4.622 1.00 0.00 O ATOM 468 CB LEU A 35 5.113 2.277 5.792 1.00 0.00 C ATOM 469 CG LEU A 35 4.185 2.890 6.860 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.788 2.292 6.798 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.775 2.698 8.247 1.00 0.00 C ATOM 0 H LEU A 35 6.569 0.441 4.239 1.00 0.00 H new ATOM 0 HA LEU A 35 5.921 0.806 7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.973 2.936 5.669 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.580 2.268 4.841 1.00 0.00 H new ATOM 0 HG LEU A 35 4.102 3.957 6.651 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.163 2.748 7.565 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.354 2.482 5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.845 1.217 6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.108 3.136 8.990 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.893 1.633 8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.748 3.187 8.299 1.00 0.00 H new ATOM 482 N ASP A 36 3.982 -0.741 6.834 1.00 0.00 N ATOM 483 CA ASP A 36 2.933 -1.743 6.690 1.00 0.00 C ATOM 484 C ASP A 36 1.570 -1.076 6.647 1.00 0.00 C ATOM 485 O ASP A 36 1.108 -0.527 7.642 1.00 0.00 O ATOM 486 CB ASP A 36 2.974 -2.745 7.848 1.00 0.00 C ATOM 487 CG ASP A 36 4.228 -3.587 7.848 1.00 0.00 C ATOM 488 OD1 ASP A 36 4.238 -4.645 7.190 1.00 0.00 O ATOM 489 OD2 ASP A 36 5.213 -3.201 8.514 1.00 0.00 O ATOM 0 H ASP A 36 4.232 -0.527 7.799 1.00 0.00 H new ATOM 0 HA ASP A 36 3.104 -2.277 5.756 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.904 -2.205 8.792 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.103 -3.398 7.789 1.00 0.00 H new ATOM 493 N LEU A 37 0.933 -1.113 5.488 1.00 0.00 N ATOM 494 CA LEU A 37 -0.383 -0.506 5.330 1.00 0.00 C ATOM 495 C LEU A 37 -1.483 -1.483 5.720 1.00 0.00 C ATOM 496 O LEU A 37 -2.623 -1.083 5.958 1.00 0.00 O ATOM 497 CB LEU A 37 -0.618 -0.077 3.882 1.00 0.00 C ATOM 498 CG LEU A 37 0.632 0.235 3.063 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.246 0.526 1.623 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.390 1.411 3.657 1.00 0.00 C ATOM 0 H LEU A 37 1.302 -1.554 4.645 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.412 0.366 5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.172 -0.868 3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.256 0.807 3.885 1.00 0.00 H new ATOM 0 HG LEU A 37 1.288 -0.635 3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.142 0.748 1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.255 -0.344 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.427 1.383 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.276 1.614 3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.748 2.292 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.690 1.172 4.677 1.00 0.00 H new ATOM 511 N ASP A 38 -1.138 -2.765 5.806 1.00 0.00 N ATOM 512 CA ASP A 38 -2.125 -3.797 6.120 1.00 0.00 C ATOM 513 C ASP A 38 -2.677 -3.651 7.533 1.00 0.00 C ATOM 514 O ASP A 38 -3.687 -4.257 7.870 1.00 0.00 O ATOM 515 CB ASP A 38 -1.537 -5.198 5.919 1.00 0.00 C ATOM 516 CG ASP A 38 -0.866 -5.744 7.162 1.00 0.00 C ATOM 517 OD1 ASP A 38 0.107 -5.126 7.639 1.00 0.00 O ATOM 518 OD2 ASP A 38 -1.312 -6.803 7.655 1.00 0.00 O ATOM 0 H ASP A 38 -0.190 -3.114 5.664 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.956 -3.663 5.427 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.332 -5.879 5.613 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.812 -5.168 5.105 1.00 0.00 H new ATOM 522 N THR A 39 -2.024 -2.844 8.351 1.00 0.00 N ATOM 523 CA THR A 39 -2.481 -2.625 9.712 1.00 0.00 C ATOM 524 C THR A 39 -3.579 -1.558 9.748 1.00 0.00 C ATOM 525 O THR A 39 -4.213 -1.336 10.783 1.00 0.00 O ATOM 526 CB THR A 39 -1.309 -2.219 10.640 1.00 0.00 C ATOM 527 OG1 THR A 39 -1.764 -2.065 11.991 1.00 0.00 O ATOM 528 CG2 THR A 39 -0.665 -0.923 10.177 1.00 0.00 C ATOM 0 H THR A 39 -1.179 -2.332 8.098 1.00 0.00 H new ATOM 0 HA THR A 39 -2.893 -3.565 10.078 1.00 0.00 H new ATOM 0 HB THR A 39 -0.567 -3.016 10.596 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.731 -1.904 11.994 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.154 -0.664 10.848 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.279 -1.049 9.165 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.407 -0.125 10.185 1.00 0.00 H new ATOM 536 N CYS A 40 -3.816 -0.908 8.610 1.00 0.00 N ATOM 537 CA CYS A 40 -4.829 0.139 8.529 1.00 0.00 C ATOM 538 C CYS A 40 -5.765 -0.054 7.334 1.00 0.00 C ATOM 539 O CYS A 40 -6.844 0.540 7.285 1.00 0.00 O ATOM 540 CB CYS A 40 -4.152 1.505 8.439 1.00 0.00 C ATOM 541 SG CYS A 40 -2.980 1.830 9.776 1.00 0.00 S ATOM 0 H CYS A 40 -3.322 -1.088 7.736 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.435 0.081 9.433 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.630 1.579 7.485 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.918 2.280 8.444 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.786 3.111 9.881 1.00 0.00 H new ATOM 546 N ILE A 41 -5.356 -0.872 6.370 1.00 0.00 N ATOM 547 CA ILE A 41 -6.174 -1.130 5.191 1.00 0.00 C ATOM 548 C ILE A 41 -6.814 -2.511 5.269 1.00 0.00 C ATOM 549 O ILE A 41 -6.160 -3.488 5.645 1.00 0.00 O ATOM 550 CB ILE A 41 -5.351 -1.042 3.884 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.667 0.317 3.762 1.00 0.00 C ATOM 552 CG2 ILE A 41 -6.239 -1.296 2.672 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.830 0.468 2.508 1.00 0.00 C ATOM 0 H ILE A 41 -4.464 -1.367 6.382 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.945 -0.360 5.174 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.581 -1.812 3.919 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.427 1.099 3.777 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.031 0.473 4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.641 -1.230 1.763 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.679 -2.291 2.745 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.033 -0.550 2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.376 1.459 2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.047 -0.291 2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.464 0.345 1.630 1.00 0.00 H new ATOM 564 N GLY A 42 -8.085 -2.589 4.906 1.00 0.00 N ATOM 565 CA GLY A 42 -8.792 -3.853 4.923 1.00 0.00 C ATOM 566 C GLY A 42 -9.879 -3.901 3.873 1.00 0.00 C ATOM 567 O GLY A 42 -10.282 -2.859 3.350 1.00 0.00 O ATOM 0 H GLY A 42 -8.643 -1.793 4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.087 -4.667 4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.231 -4.011 5.908 1.00 0.00 H new ATOM 571 N ASN A 43 -10.346 -5.106 3.550 1.00 0.00 N ATOM 572 CA ASN A 43 -11.395 -5.275 2.542 1.00 0.00 C ATOM 573 C ASN A 43 -12.108 -6.633 2.647 1.00 0.00 C ATOM 574 O ASN A 43 -12.299 -7.309 1.641 1.00 0.00 O ATOM 575 CB ASN A 43 -10.809 -5.110 1.131 1.00 0.00 C ATOM 576 CG ASN A 43 -9.651 -6.052 0.844 1.00 0.00 C ATOM 577 OD1 ASN A 43 -9.840 -7.171 0.392 1.00 0.00 O ATOM 578 ND2 ASN A 43 -8.438 -5.592 1.089 1.00 0.00 N ATOM 0 H ASN A 43 -10.018 -5.976 3.968 1.00 0.00 H new ATOM 0 HA ASN A 43 -12.138 -4.500 2.732 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.596 -5.280 0.397 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.471 -4.082 1.004 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.623 -6.176 0.901 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.316 -4.652 1.467 1.00 0.00 H new ATOM 584 N PRO A 44 -12.578 -7.036 3.847 1.00 0.00 N ATOM 585 CA PRO A 44 -13.262 -8.327 4.014 1.00 0.00 C ATOM 586 C PRO A 44 -14.638 -8.339 3.344 1.00 0.00 C ATOM 587 O PRO A 44 -15.253 -9.392 3.168 1.00 0.00 O ATOM 588 CB PRO A 44 -13.398 -8.466 5.531 1.00 0.00 C ATOM 589 CG PRO A 44 -13.398 -7.067 6.043 1.00 0.00 C ATOM 590 CD PRO A 44 -12.511 -6.282 5.116 1.00 0.00 C ATOM 0 HA PRO A 44 -12.712 -9.146 3.551 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.318 -8.986 5.800 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.573 -9.041 5.951 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.408 -6.657 6.056 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.025 -7.027 7.066 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.866 -5.259 4.993 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.490 -6.222 5.493 1.00 0.00 H new ATOM 595 N ASN A 45 -15.110 -7.156 2.971 1.00 0.00 N ATOM 596 CA ASN A 45 -16.405 -7.007 2.317 1.00 0.00 C ATOM 597 C ASN A 45 -16.232 -6.809 0.818 1.00 0.00 C ATOM 598 O ASN A 45 -17.199 -6.569 0.096 1.00 0.00 O ATOM 599 CB ASN A 45 -17.169 -5.815 2.897 1.00 0.00 C ATOM 600 CG ASN A 45 -17.595 -6.025 4.326 1.00 0.00 C ATOM 601 OD1 ASN A 45 -16.836 -5.771 5.261 1.00 0.00 O ATOM 602 ND2 ASN A 45 -18.819 -6.466 4.507 1.00 0.00 N ATOM 0 H ASN A 45 -14.610 -6.278 3.112 1.00 0.00 H new ATOM 0 HA ASN A 45 -16.973 -7.920 2.495 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.542 -4.926 2.838 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -18.051 -5.624 2.286 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -19.174 -6.611 5.452 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -19.414 -6.664 3.702 1.00 0.00 H new ATOM 608 N GLY A 46 -14.997 -6.906 0.350 1.00 0.00 N ATOM 609 CA GLY A 46 -14.733 -6.724 -1.062 1.00 0.00 C ATOM 610 C GLY A 46 -14.549 -5.266 -1.431 1.00 0.00 C ATOM 611 O GLY A 46 -14.542 -4.911 -2.609 1.00 0.00 O ATOM 0 H GLY A 46 -14.175 -7.107 0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.837 -7.281 -1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.558 -7.141 -1.640 1.00 0.00 H new ATOM 615 N PHE A 47 -14.413 -4.415 -0.423 1.00 0.00 N ATOM 616 CA PHE A 47 -14.228 -2.988 -0.653 1.00 0.00 C ATOM 617 C PHE A 47 -12.977 -2.487 0.046 1.00 0.00 C ATOM 618 O PHE A 47 -12.758 -2.759 1.226 1.00 0.00 O ATOM 619 CB PHE A 47 -15.451 -2.200 -0.193 1.00 0.00 C ATOM 620 CG PHE A 47 -16.690 -2.530 -0.979 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.721 -2.336 -2.351 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.818 -3.029 -0.349 1.00 0.00 C ATOM 623 CE1 PHE A 47 -17.856 -2.638 -3.082 1.00 0.00 C ATOM 624 CE2 PHE A 47 -18.956 -3.333 -1.073 1.00 0.00 C ATOM 625 CZ PHE A 47 -18.975 -3.137 -2.443 1.00 0.00 C ATOM 0 H PHE A 47 -14.427 -4.687 0.560 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.106 -2.833 -1.725 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.632 -2.403 0.863 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.244 -1.133 -0.282 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.850 -1.945 -2.855 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.809 -3.182 0.720 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.867 -2.484 -4.151 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.829 -3.723 -0.570 1.00 0.00 H new ATOM 0 HZ PHE A 47 -19.862 -3.374 -3.011 1.00 0.00 H new ATOM 634 N LEU A 48 -12.171 -1.745 -0.694 1.00 0.00 N ATOM 635 CA LEU A 48 -10.919 -1.211 -0.184 1.00 0.00 C ATOM 636 C LEU A 48 -11.122 0.118 0.527 1.00 0.00 C ATOM 637 O LEU A 48 -11.836 0.999 0.039 1.00 0.00 O ATOM 638 CB LEU A 48 -9.935 -1.027 -1.336 1.00 0.00 C ATOM 639 CG LEU A 48 -9.388 -2.320 -1.934 1.00 0.00 C ATOM 640 CD1 LEU A 48 -8.554 -2.025 -3.164 1.00 0.00 C ATOM 641 CD2 LEU A 48 -8.559 -3.065 -0.906 1.00 0.00 C ATOM 0 H LEU A 48 -12.365 -1.496 -1.664 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.522 -1.922 0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.427 -0.459 -2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.097 -0.425 -0.985 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.230 -2.947 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.172 -2.959 -3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.171 -1.523 -3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.718 -1.380 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.175 -3.985 -1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.725 -2.439 -0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.180 -3.307 -0.044 1.00 0.00 H new ATOM 652 N GLY A 49 -10.485 0.254 1.677 1.00 0.00 N ATOM 653 CA GLY A 49 -10.583 1.478 2.442 1.00 0.00 C ATOM 654 C GLY A 49 -9.734 1.427 3.690 1.00 0.00 C ATOM 655 O GLY A 49 -9.184 0.372 4.027 1.00 0.00 O ATOM 0 H GLY A 49 -9.898 -0.466 2.097 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.271 2.319 1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.623 1.653 2.717 1.00 0.00 H new ATOM 659 N TRP A 50 -9.628 2.551 4.377 1.00 0.00 N ATOM 660 CA TRP A 50 -8.846 2.628 5.600 1.00 0.00 C ATOM 661 C TRP A 50 -9.760 2.423 6.806 1.00 0.00 C ATOM 662 O TRP A 50 -10.752 3.135 6.970 1.00 0.00 O ATOM 663 CB TRP A 50 -8.135 3.986 5.703 1.00 0.00 C ATOM 664 CG TRP A 50 -7.124 4.241 4.618 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.348 4.816 3.397 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.725 3.941 4.667 1.00 0.00 C ATOM 667 NE1 TRP A 50 -6.169 4.892 2.689 1.00 0.00 N ATOM 668 CE2 TRP A 50 -5.163 4.355 3.445 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.894 3.359 5.625 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.809 4.206 3.159 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.550 3.211 5.339 1.00 0.00 C ATOM 672 CH2 TRP A 50 -3.019 3.633 4.117 1.00 0.00 C ATOM 0 H TRP A 50 -10.076 3.427 4.108 1.00 0.00 H new ATOM 0 HA TRP A 50 -8.088 1.845 5.583 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.884 4.778 5.679 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.636 4.049 6.670 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.308 5.160 3.041 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -6.063 5.285 1.754 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.294 3.030 6.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.397 4.531 2.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.898 2.761 6.073 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.964 3.504 3.925 1.00 0.00 H new ATOM 682 N GLY A 51 -9.423 1.454 7.644 1.00 0.00 N ATOM 683 CA GLY A 51 -10.231 1.165 8.812 1.00 0.00 C ATOM 684 C GLY A 51 -9.984 -0.232 9.338 1.00 0.00 C ATOM 685 O GLY A 51 -9.658 -0.419 10.511 1.00 0.00 O ATOM 0 H GLY A 51 -8.601 0.860 7.536 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.011 1.891 9.594 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.286 1.277 8.560 1.00 0.00 H new ATOM 689 N MET A 52 -10.139 -1.212 8.461 1.00 0.00 N ATOM 690 CA MET A 52 -9.929 -2.605 8.818 1.00 0.00 C ATOM 691 C MET A 52 -8.454 -2.959 8.680 1.00 0.00 C ATOM 692 O MET A 52 -7.609 -2.071 8.580 1.00 0.00 O ATOM 693 CB MET A 52 -10.782 -3.505 7.927 1.00 0.00 C ATOM 694 CG MET A 52 -11.819 -4.303 8.694 1.00 0.00 C ATOM 695 SD MET A 52 -13.128 -3.266 9.377 1.00 0.00 S ATOM 696 CE MET A 52 -14.126 -4.494 10.216 1.00 0.00 C ATOM 0 H MET A 52 -10.412 -1.065 7.489 1.00 0.00 H new ATOM 0 HA MET A 52 -10.228 -2.759 9.855 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.286 -2.892 7.180 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.131 -4.193 7.388 1.00 0.00 H new ATOM 0 HG2 MET A 52 -12.260 -5.049 8.033 1.00 0.00 H new ATOM 0 HG3 MET A 52 -11.330 -4.844 9.504 1.00 0.00 H new ATOM 0 HE1 MET A 52 -14.978 -4.008 10.691 1.00 0.00 H new ATOM 0 HE2 MET A 52 -14.483 -5.228 9.494 1.00 0.00 H new ATOM 0 HE3 MET A 52 -13.525 -4.994 10.975 1.00 0.00 H new ATOM 704 N GLN A 53 -8.133 -4.244 8.691 1.00 0.00 N ATOM 705 CA GLN A 53 -6.746 -4.662 8.574 1.00 0.00 C ATOM 706 C GLN A 53 -6.617 -5.974 7.808 1.00 0.00 C ATOM 707 O GLN A 53 -7.619 -6.603 7.464 1.00 0.00 O ATOM 708 CB GLN A 53 -6.122 -4.801 9.959 1.00 0.00 C ATOM 709 CG GLN A 53 -6.766 -5.873 10.822 1.00 0.00 C ATOM 710 CD GLN A 53 -6.004 -6.104 12.107 1.00 0.00 C ATOM 711 OE1 GLN A 53 -5.102 -6.939 12.161 1.00 0.00 O ATOM 712 NE2 GLN A 53 -6.353 -5.369 13.149 1.00 0.00 N ATOM 0 H GLN A 53 -8.805 -5.006 8.779 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.214 -3.895 8.012 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.062 -5.027 9.847 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.191 -3.843 10.475 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.790 -5.582 11.056 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.820 -6.806 10.260 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.107 -4.687 13.063 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.869 -5.484 14.039 1.00 0.00 H new ATOM 719 N ASN A 54 -5.368 -6.360 7.541 1.00 0.00 N ATOM 720 CA ASN A 54 -5.049 -7.596 6.828 1.00 0.00 C ATOM 721 C ASN A 54 -5.652 -7.612 5.432 1.00 0.00 C ATOM 722 O ASN A 54 -6.131 -8.648 4.963 1.00 0.00 O ATOM 723 CB ASN A 54 -5.506 -8.827 7.618 1.00 0.00 C ATOM 724 CG ASN A 54 -4.376 -9.450 8.415 1.00 0.00 C ATOM 725 OD1 ASN A 54 -3.665 -10.328 7.918 1.00 0.00 O ATOM 726 ND2 ASN A 54 -4.203 -9.008 9.651 1.00 0.00 N ATOM 0 H ASN A 54 -4.547 -5.821 7.815 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.964 -7.633 6.727 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.312 -8.543 8.295 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.914 -9.567 6.930 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.459 -9.395 10.232 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.814 -8.280 10.023 1.00 0.00 H new ATOM 732 N PHE A 55 -5.613 -6.467 4.756 1.00 0.00 N ATOM 733 CA PHE A 55 -6.152 -6.374 3.407 1.00 0.00 C ATOM 734 C PHE A 55 -5.395 -7.308 2.474 1.00 0.00 C ATOM 735 O PHE A 55 -5.952 -7.801 1.500 1.00 0.00 O ATOM 736 CB PHE A 55 -6.086 -4.934 2.880 1.00 0.00 C ATOM 737 CG PHE A 55 -4.761 -4.531 2.289 1.00 0.00 C ATOM 738 CD1 PHE A 55 -3.663 -4.318 3.099 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.625 -4.349 0.922 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.449 -3.934 2.563 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.414 -3.967 0.378 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.325 -3.759 1.198 1.00 0.00 C ATOM 0 H PHE A 55 -5.217 -5.599 5.118 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.199 -6.674 3.441 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.859 -4.805 2.122 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.324 -4.253 3.697 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.755 -4.454 4.167 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.475 -4.508 0.275 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.599 -3.771 3.209 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.320 -3.831 -0.689 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.378 -3.460 0.774 1.00 0.00 H new ATOM 751 N SER A 56 -4.132 -7.553 2.797 1.00 0.00 N ATOM 752 CA SER A 56 -3.280 -8.423 2.004 1.00 0.00 C ATOM 753 C SER A 56 -3.880 -9.828 1.908 1.00 0.00 C ATOM 754 O SER A 56 -3.952 -10.412 0.831 1.00 0.00 O ATOM 755 CB SER A 56 -1.879 -8.474 2.625 1.00 0.00 C ATOM 756 OG SER A 56 -0.974 -9.198 1.813 1.00 0.00 O ATOM 0 H SER A 56 -3.672 -7.154 3.615 1.00 0.00 H new ATOM 0 HA SER A 56 -3.207 -8.022 0.993 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.507 -7.459 2.769 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.934 -8.936 3.611 1.00 0.00 H new ATOM 0 HG SER A 56 -0.091 -9.209 2.238 1.00 0.00 H new ATOM 761 N HIS A 57 -4.348 -10.348 3.038 1.00 0.00 N ATOM 762 CA HIS A 57 -4.937 -11.682 3.069 1.00 0.00 C ATOM 763 C HIS A 57 -6.384 -11.651 2.601 1.00 0.00 C ATOM 764 O HIS A 57 -6.975 -12.686 2.295 1.00 0.00 O ATOM 765 CB HIS A 57 -4.861 -12.280 4.472 1.00 0.00 C ATOM 766 CG HIS A 57 -3.470 -12.644 4.888 1.00 0.00 C ATOM 767 ND1 HIS A 57 -2.860 -12.123 6.004 1.00 0.00 N ATOM 768 CD2 HIS A 57 -2.568 -13.485 4.330 1.00 0.00 C ATOM 769 CE1 HIS A 57 -1.644 -12.623 6.116 1.00 0.00 C ATOM 770 NE2 HIS A 57 -1.442 -13.454 5.112 1.00 0.00 N ATOM 0 H HIS A 57 -4.331 -9.870 3.939 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.362 -12.309 2.388 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.271 -11.566 5.186 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.490 -13.169 4.514 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -3.282 -11.453 6.647 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.709 -14.072 3.434 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.935 -12.391 6.897 1.00 0.00 H new ATOM 778 N SER A 58 -6.948 -10.458 2.524 1.00 0.00 N ATOM 779 CA SER A 58 -8.333 -10.300 2.112 1.00 0.00 C ATOM 780 C SER A 58 -8.448 -9.975 0.622 1.00 0.00 C ATOM 781 O SER A 58 -9.545 -9.873 0.093 1.00 0.00 O ATOM 782 CB SER A 58 -9.003 -9.203 2.945 1.00 0.00 C ATOM 783 OG SER A 58 -8.818 -9.429 4.337 1.00 0.00 O ATOM 0 H SER A 58 -6.469 -9.584 2.741 1.00 0.00 H new ATOM 0 HA SER A 58 -8.842 -11.249 2.282 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.589 -8.232 2.673 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.069 -9.170 2.718 1.00 0.00 H new ATOM 0 HG SER A 58 -7.912 -9.160 4.595 1.00 0.00 H new ATOM 788 N SER A 59 -7.326 -9.852 -0.072 1.00 0.00 N ATOM 789 CA SER A 59 -7.365 -9.522 -1.490 1.00 0.00 C ATOM 790 C SER A 59 -6.359 -10.349 -2.276 1.00 0.00 C ATOM 791 O SER A 59 -5.577 -11.107 -1.698 1.00 0.00 O ATOM 792 CB SER A 59 -7.121 -8.023 -1.700 1.00 0.00 C ATOM 793 OG SER A 59 -5.908 -7.602 -1.106 1.00 0.00 O ATOM 0 H SER A 59 -6.390 -9.973 0.316 1.00 0.00 H new ATOM 0 HA SER A 59 -8.359 -9.765 -1.865 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.099 -7.804 -2.768 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.950 -7.456 -1.276 1.00 0.00 H new ATOM 0 HG SER A 59 -6.037 -7.494 -0.140 1.00 0.00 H new ATOM 798 N GLU A 60 -6.418 -10.227 -3.593 1.00 0.00 N ATOM 799 CA GLU A 60 -5.523 -10.950 -4.481 1.00 0.00 C ATOM 800 C GLU A 60 -4.915 -9.994 -5.500 1.00 0.00 C ATOM 801 O GLU A 60 -5.562 -9.023 -5.899 1.00 0.00 O ATOM 802 CB GLU A 60 -6.280 -12.064 -5.204 1.00 0.00 C ATOM 803 CG GLU A 60 -6.990 -13.022 -4.266 1.00 0.00 C ATOM 804 CD GLU A 60 -7.658 -14.159 -4.998 1.00 0.00 C ATOM 805 OE1 GLU A 60 -8.583 -13.899 -5.796 1.00 0.00 O ATOM 806 OE2 GLU A 60 -7.259 -15.321 -4.782 1.00 0.00 O ATOM 0 H GLU A 60 -7.086 -9.625 -4.075 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.725 -11.394 -3.886 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.012 -11.617 -5.877 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.580 -12.626 -5.822 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.272 -13.426 -3.552 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.738 -12.475 -3.691 1.00 0.00 H new ATOM 811 N ASP A 61 -3.676 -10.278 -5.903 1.00 0.00 N ATOM 812 CA ASP A 61 -2.947 -9.462 -6.880 1.00 0.00 C ATOM 813 C ASP A 61 -2.854 -8.013 -6.411 1.00 0.00 C ATOM 814 O ASP A 61 -3.589 -7.138 -6.871 1.00 0.00 O ATOM 815 CB ASP A 61 -3.598 -9.538 -8.265 1.00 0.00 C ATOM 816 CG ASP A 61 -2.775 -8.834 -9.332 1.00 0.00 C ATOM 817 OD1 ASP A 61 -1.601 -9.213 -9.521 1.00 0.00 O ATOM 818 OD2 ASP A 61 -3.297 -7.908 -9.993 1.00 0.00 O ATOM 0 H ASP A 61 -3.147 -11.081 -5.562 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.938 -9.865 -6.961 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.731 -10.583 -8.544 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.591 -9.090 -8.222 1.00 0.00 H new ATOM 822 N ILE A 62 -1.948 -7.773 -5.480 1.00 0.00 N ATOM 823 CA ILE A 62 -1.758 -6.444 -4.928 1.00 0.00 C ATOM 824 C ILE A 62 -0.558 -5.755 -5.572 1.00 0.00 C ATOM 825 O ILE A 62 0.565 -6.260 -5.514 1.00 0.00 O ATOM 826 CB ILE A 62 -1.560 -6.515 -3.400 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.747 -7.242 -2.757 1.00 0.00 C ATOM 828 CG2 ILE A 62 -1.400 -5.119 -2.817 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.581 -7.493 -1.275 1.00 0.00 C ATOM 0 H ILE A 62 -1.330 -8.484 -5.089 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.654 -5.861 -5.143 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.649 -7.074 -3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.651 -6.654 -2.917 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.894 -8.196 -3.263 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.261 -5.189 -1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.531 -4.635 -3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.293 -4.531 -3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.461 -8.011 -0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.697 -8.108 -1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.466 -6.542 -0.756 1.00 0.00 H new ATOM 840 N LYS A 63 -0.806 -4.616 -6.203 1.00 0.00 N ATOM 841 CA LYS A 63 0.250 -3.856 -6.850 1.00 0.00 C ATOM 842 C LYS A 63 -0.079 -2.365 -6.801 1.00 0.00 C ATOM 843 O LYS A 63 -1.238 -1.981 -6.676 1.00 0.00 O ATOM 844 CB LYS A 63 0.431 -4.326 -8.296 1.00 0.00 C ATOM 845 CG LYS A 63 1.755 -3.897 -8.903 1.00 0.00 C ATOM 846 CD LYS A 63 1.973 -4.519 -10.269 1.00 0.00 C ATOM 847 CE LYS A 63 3.379 -4.249 -10.775 1.00 0.00 C ATOM 848 NZ LYS A 63 3.624 -4.874 -12.103 1.00 0.00 N ATOM 0 H LYS A 63 -1.733 -4.198 -6.280 1.00 0.00 H new ATOM 0 HA LYS A 63 1.187 -4.022 -6.319 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.359 -5.413 -8.330 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.384 -3.933 -8.904 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.781 -2.811 -8.989 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.570 -4.183 -8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.803 -5.594 -10.214 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.246 -4.118 -10.975 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.538 -3.173 -10.846 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.103 -4.632 -10.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.595 -4.665 -12.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.498 -5.904 -12.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.951 -4.491 -12.797 1.00 0.00 H new ATOM 858 N LEU A 64 0.938 -1.528 -6.905 1.00 0.00 N ATOM 859 CA LEU A 64 0.752 -0.084 -6.847 1.00 0.00 C ATOM 860 C LEU A 64 0.332 0.474 -8.201 1.00 0.00 C ATOM 861 O LEU A 64 0.833 0.056 -9.245 1.00 0.00 O ATOM 862 CB LEU A 64 2.040 0.575 -6.369 1.00 0.00 C ATOM 863 CG LEU A 64 2.368 0.314 -4.900 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.834 0.601 -4.618 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.486 1.165 -4.004 1.00 0.00 C ATOM 0 H LEU A 64 1.906 -1.823 -7.031 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.049 0.137 -6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.867 0.219 -6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.965 1.651 -6.528 1.00 0.00 H new ATOM 0 HG LEU A 64 2.175 -0.738 -4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.047 0.409 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.457 -0.044 -5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.051 1.644 -4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.731 0.969 -2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.654 2.219 -4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.440 0.919 -4.184 1.00 0.00 H new ATOM 876 N GLU A 65 -0.592 1.428 -8.160 1.00 0.00 N ATOM 877 CA GLU A 65 -1.123 2.050 -9.363 1.00 0.00 C ATOM 878 C GLU A 65 -0.311 3.284 -9.744 1.00 0.00 C ATOM 879 O GLU A 65 0.296 3.335 -10.810 1.00 0.00 O ATOM 880 CB GLU A 65 -2.586 2.436 -9.140 1.00 0.00 C ATOM 881 CG GLU A 65 -3.252 3.037 -10.362 1.00 0.00 C ATOM 882 CD GLU A 65 -3.437 2.036 -11.484 1.00 0.00 C ATOM 883 OE1 GLU A 65 -2.439 1.688 -12.152 1.00 0.00 O ATOM 884 OE2 GLU A 65 -4.584 1.603 -11.707 1.00 0.00 O ATOM 0 H GLU A 65 -0.991 1.789 -7.294 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.056 1.333 -10.181 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.143 1.551 -8.832 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.643 3.150 -8.318 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.224 3.441 -10.078 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.652 3.873 -10.723 1.00 0.00 H new ATOM 889 N GLU A 66 -0.289 4.272 -8.860 1.00 0.00 N ATOM 890 CA GLU A 66 0.447 5.507 -9.108 1.00 0.00 C ATOM 891 C GLU A 66 1.923 5.342 -8.774 1.00 0.00 C ATOM 892 O GLU A 66 2.662 6.318 -8.661 1.00 0.00 O ATOM 893 CB GLU A 66 -0.142 6.640 -8.278 1.00 0.00 C ATOM 894 CG GLU A 66 -1.608 6.893 -8.557 1.00 0.00 C ATOM 895 CD GLU A 66 -1.852 7.472 -9.936 1.00 0.00 C ATOM 896 OE1 GLU A 66 -1.538 8.662 -10.146 1.00 0.00 O ATOM 897 OE2 GLU A 66 -2.351 6.740 -10.817 1.00 0.00 O ATOM 0 H GLU A 66 -0.773 4.243 -7.963 1.00 0.00 H new ATOM 0 HA GLU A 66 0.358 5.746 -10.168 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.016 6.409 -7.220 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.420 7.553 -8.473 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.159 5.958 -8.458 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.003 7.577 -7.806 1.00 0.00 H new ATOM 902 N GLY A 67 2.335 4.101 -8.590 1.00 0.00 N ATOM 903 CA GLY A 67 3.720 3.814 -8.271 1.00 0.00 C ATOM 904 C GLY A 67 4.044 4.078 -6.815 1.00 0.00 C ATOM 905 O GLY A 67 5.208 4.199 -6.442 1.00 0.00 O ATOM 0 H GLY A 67 1.733 3.280 -8.656 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.935 2.771 -8.505 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.369 4.423 -8.901 1.00 0.00 H new ATOM 909 N GLY A 68 3.010 4.175 -5.990 1.00 0.00 N ATOM 910 CA GLY A 68 3.222 4.415 -4.577 1.00 0.00 C ATOM 911 C GLY A 68 2.171 5.321 -3.979 1.00 0.00 C ATOM 912 O GLY A 68 1.828 5.196 -2.807 1.00 0.00 O ATOM 0 H GLY A 68 2.033 4.092 -6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.221 3.463 -4.046 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.206 4.860 -4.431 1.00 0.00 H new ATOM 916 N ARG A 69 1.647 6.233 -4.785 1.00 0.00 N ATOM 917 CA ARG A 69 0.627 7.161 -4.316 1.00 0.00 C ATOM 918 C ARG A 69 -0.721 6.457 -4.190 1.00 0.00 C ATOM 919 O ARG A 69 -1.616 6.913 -3.479 1.00 0.00 O ATOM 920 CB ARG A 69 0.500 8.336 -5.288 1.00 0.00 C ATOM 921 CG ARG A 69 -0.434 9.427 -4.800 1.00 0.00 C ATOM 922 CD ARG A 69 0.326 10.533 -4.094 1.00 0.00 C ATOM 923 NE ARG A 69 0.989 11.421 -5.043 1.00 0.00 N ATOM 924 CZ ARG A 69 0.590 12.664 -5.299 1.00 0.00 C ATOM 925 NH1 ARG A 69 -0.484 13.163 -4.693 1.00 0.00 N ATOM 926 NH2 ARG A 69 1.256 13.400 -6.175 1.00 0.00 N ATOM 0 H ARG A 69 1.910 6.351 -5.764 1.00 0.00 H new ATOM 0 HA ARG A 69 0.925 7.532 -3.335 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.488 8.764 -5.459 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.142 7.965 -6.249 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.983 9.843 -5.645 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.171 8.999 -4.121 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.361 11.109 -3.475 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.067 10.096 -3.425 1.00 0.00 H new ATOM 0 HE ARG A 69 1.807 11.068 -5.540 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.006 12.592 -4.028 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.785 14.117 -4.893 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.071 13.014 -6.651 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.954 14.354 -6.374 1.00 0.00 H new ATOM 937 N LYS A 70 -0.850 5.331 -4.872 1.00 0.00 N ATOM 938 CA LYS A 70 -2.090 4.578 -4.871 1.00 0.00 C ATOM 939 C LYS A 70 -1.808 3.090 -5.015 1.00 0.00 C ATOM 940 O LYS A 70 -0.871 2.695 -5.715 1.00 0.00 O ATOM 941 CB LYS A 70 -2.959 5.058 -6.029 1.00 0.00 C ATOM 942 CG LYS A 70 -4.357 4.470 -6.051 1.00 0.00 C ATOM 943 CD LYS A 70 -5.102 4.906 -7.297 1.00 0.00 C ATOM 944 CE LYS A 70 -6.514 4.355 -7.337 1.00 0.00 C ATOM 945 NZ LYS A 70 -7.223 4.775 -8.574 1.00 0.00 N ATOM 0 H LYS A 70 -0.107 4.918 -5.435 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.610 4.738 -3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.036 6.144 -5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.460 4.813 -6.967 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.300 3.382 -6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.905 4.788 -5.164 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.137 5.995 -7.336 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.558 4.572 -8.180 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.484 3.267 -7.285 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.066 4.701 -6.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.186 4.383 -8.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.272 5.813 -8.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.707 4.423 -9.406 1.00 0.00 H new ATOM 955 N LEU A 71 -2.626 2.277 -4.370 1.00 0.00 N ATOM 956 CA LEU A 71 -2.486 0.832 -4.416 1.00 0.00 C ATOM 957 C LEU A 71 -3.719 0.229 -5.075 1.00 0.00 C ATOM 958 O LEU A 71 -4.827 0.737 -4.911 1.00 0.00 O ATOM 959 CB LEU A 71 -2.309 0.292 -2.992 1.00 0.00 C ATOM 960 CG LEU A 71 -2.082 -1.220 -2.858 1.00 0.00 C ATOM 961 CD1 LEU A 71 -1.194 -1.509 -1.660 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.405 -1.956 -2.706 1.00 0.00 C ATOM 0 H LEU A 71 -3.407 2.600 -3.799 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.608 0.558 -5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.464 0.806 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.194 0.557 -2.414 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.592 -1.572 -3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.039 -2.584 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.232 -1.013 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.673 -1.137 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.218 -3.026 -2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.920 -1.599 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.027 -1.772 -3.582 1.00 0.00 H new ATOM 973 N THR A 72 -3.526 -0.832 -5.831 1.00 0.00 N ATOM 974 CA THR A 72 -4.623 -1.501 -6.509 1.00 0.00 C ATOM 975 C THR A 72 -4.526 -3.006 -6.331 1.00 0.00 C ATOM 976 O THR A 72 -3.437 -3.581 -6.392 1.00 0.00 O ATOM 977 CB THR A 72 -4.648 -1.170 -8.011 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.312 -1.179 -8.538 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.303 0.180 -8.258 1.00 0.00 C ATOM 0 H THR A 72 -2.612 -1.255 -5.994 1.00 0.00 H new ATOM 0 HA THR A 72 -5.546 -1.138 -6.057 1.00 0.00 H new ATOM 0 HB THR A 72 -5.237 -1.931 -8.522 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.710 -1.609 -7.895 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.309 0.391 -9.327 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.328 0.161 -7.887 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.743 0.957 -7.737 1.00 0.00 H new ATOM 987 N CYS A 73 -5.658 -3.636 -6.093 1.00 0.00 N ATOM 988 CA CYS A 73 -5.712 -5.072 -5.906 1.00 0.00 C ATOM 989 C CYS A 73 -7.140 -5.547 -6.082 1.00 0.00 C ATOM 990 O CYS A 73 -8.048 -4.741 -6.268 1.00 0.00 O ATOM 991 CB CYS A 73 -5.192 -5.451 -4.517 1.00 0.00 C ATOM 992 SG CYS A 73 -6.101 -4.702 -3.148 1.00 0.00 S ATOM 0 H CYS A 73 -6.563 -3.170 -6.024 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.077 -5.554 -6.649 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.230 -6.535 -4.412 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.144 -5.160 -4.443 1.00 0.00 H new ATOM 0 HG CYS A 73 -6.175 -5.547 -2.162 1.00 0.00 H new ATOM 997 N ARG A 74 -7.342 -6.846 -6.052 1.00 0.00 N ATOM 998 CA ARG A 74 -8.675 -7.385 -6.192 1.00 0.00 C ATOM 999 C ARG A 74 -9.124 -7.953 -4.858 1.00 0.00 C ATOM 1000 O ARG A 74 -8.761 -9.073 -4.492 1.00 0.00 O ATOM 1001 CB ARG A 74 -8.695 -8.440 -7.300 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.075 -8.986 -7.642 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.320 -10.364 -7.040 1.00 0.00 C ATOM 1004 NE ARG A 74 -11.558 -10.958 -7.547 1.00 0.00 N ATOM 1005 CZ ARG A 74 -11.866 -12.254 -7.475 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -11.039 -13.115 -6.885 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -13.005 -12.689 -8.004 1.00 0.00 N ATOM 0 H ARG A 74 -6.607 -7.543 -5.933 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.374 -6.599 -6.478 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.258 -8.008 -8.200 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.055 -9.271 -7.002 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.836 -8.294 -7.281 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.183 -9.041 -8.725 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.480 -11.018 -7.272 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.372 -10.284 -5.954 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.235 -10.335 -7.988 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.161 -12.785 -6.483 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.283 -14.104 -6.835 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.638 -12.033 -8.462 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.246 -13.679 -7.952 1.00 0.00 H new ATOM 1018 N PRO A 75 -9.895 -7.160 -4.102 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.407 -7.561 -2.794 1.00 0.00 C ATOM 1020 C PRO A 75 -11.361 -8.730 -2.925 1.00 0.00 C ATOM 1021 O PRO A 75 -12.260 -8.702 -3.759 1.00 0.00 O ATOM 1022 CB PRO A 75 -11.141 -6.317 -2.290 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.453 -5.530 -3.510 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.336 -5.807 -4.473 1.00 0.00 C ATOM 0 HA PRO A 75 -9.619 -7.889 -2.116 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.050 -6.587 -1.752 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.520 -5.745 -1.600 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.414 -5.826 -3.931 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.518 -4.466 -3.283 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.677 -5.765 -5.507 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.530 -5.080 -4.374 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.140 -9.767 -2.136 1.00 0.00 N ATOM 1030 CA LYS A 76 -11.985 -10.941 -2.185 1.00 0.00 C ATOM 1031 C LYS A 76 -12.631 -11.220 -0.834 1.00 0.00 C ATOM 1032 O LYS A 76 -12.077 -10.900 0.215 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.188 -12.149 -2.693 1.00 0.00 C ATOM 1034 CG LYS A 76 -9.887 -12.437 -1.948 1.00 0.00 C ATOM 1035 CD LYS A 76 -10.122 -13.188 -0.641 1.00 0.00 C ATOM 1036 CE LYS A 76 -9.003 -14.175 -0.349 1.00 0.00 C ATOM 1037 NZ LYS A 76 -7.680 -13.510 -0.223 1.00 0.00 N ATOM 0 H LYS A 76 -10.382 -9.817 -1.455 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.796 -10.751 -2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.824 -13.033 -2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.956 -11.993 -3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.227 -13.023 -2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.376 -11.498 -1.738 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.201 -12.475 0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.072 -13.720 -0.693 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.227 -14.711 0.573 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.959 -14.917 -1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.955 -14.086 -0.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.720 -12.570 -0.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.437 -13.408 0.783 1.00 0.00 H new ATOM 1047 N THR A 77 -13.816 -11.805 -0.860 1.00 0.00 N ATOM 1048 CA THR A 77 -14.503 -12.137 0.367 1.00 0.00 C ATOM 1049 C THR A 77 -13.970 -13.456 0.890 1.00 0.00 C ATOM 1050 O THR A 77 -13.672 -14.362 0.105 1.00 0.00 O ATOM 1051 CB THR A 77 -16.027 -12.250 0.174 1.00 0.00 C ATOM 1052 OG1 THR A 77 -16.657 -12.372 1.455 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.376 -13.453 -0.694 1.00 0.00 C ATOM 0 H THR A 77 -14.316 -12.057 -1.713 1.00 0.00 H new ATOM 0 HA THR A 77 -14.320 -11.331 1.078 1.00 0.00 H new ATOM 0 HB THR A 77 -16.386 -11.353 -0.330 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.336 -13.078 1.420 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.458 -13.512 -0.816 1.00 0.00 H new ATOM 0 HG22 THR A 77 -15.906 -13.345 -1.671 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.015 -14.364 -0.216 1.00 0.00 H new ATOM 1061 N VAL A 78 -13.868 -13.557 2.206 1.00 0.00 N ATOM 1062 CA VAL A 78 -13.363 -14.756 2.866 1.00 0.00 C ATOM 1063 C VAL A 78 -14.341 -15.921 2.750 1.00 0.00 C ATOM 1064 O VAL A 78 -14.008 -17.052 3.104 1.00 0.00 O ATOM 1065 CB VAL A 78 -13.061 -14.489 4.353 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -11.964 -13.447 4.483 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -14.315 -14.039 5.093 1.00 0.00 C ATOM 0 H VAL A 78 -14.133 -12.811 2.849 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.439 -15.026 2.356 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.720 -15.419 4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.758 -13.265 5.538 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.059 -13.808 3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.286 -12.519 4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -14.074 -13.857 6.140 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.693 -13.121 4.643 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -15.076 -14.816 5.025 1.00 0.00 H new ATOM 1077 N ASP A 79 -15.546 -15.638 2.261 1.00 0.00 N ATOM 1078 CA ASP A 79 -16.564 -16.669 2.086 1.00 0.00 C ATOM 1079 C ASP A 79 -16.094 -17.712 1.087 1.00 0.00 C ATOM 1080 O ASP A 79 -16.338 -18.905 1.255 1.00 0.00 O ATOM 1081 CB ASP A 79 -17.881 -16.064 1.591 1.00 0.00 C ATOM 1082 CG ASP A 79 -18.539 -15.157 2.605 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -19.054 -15.668 3.621 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -18.551 -13.929 2.385 1.00 0.00 O ATOM 0 H ASP A 79 -15.841 -14.703 1.979 1.00 0.00 H new ATOM 0 HA ASP A 79 -16.730 -17.137 3.057 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -17.693 -15.500 0.677 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.569 -16.869 1.333 1.00 0.00 H new ATOM 1088 N GLY A 80 -15.403 -17.254 0.053 1.00 0.00 N ATOM 1089 CA GLY A 80 -14.917 -18.166 -0.964 1.00 0.00 C ATOM 1090 C GLY A 80 -13.784 -17.588 -1.789 1.00 0.00 C ATOM 1091 O GLY A 80 -13.275 -18.246 -2.695 1.00 0.00 O ATOM 0 H GLY A 80 -15.171 -16.273 -0.100 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -14.579 -19.086 -0.487 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -15.740 -18.435 -1.626 1.00 0.00 H new ATOM 1095 N GLY A 81 -13.399 -16.350 -1.503 1.00 0.00 N ATOM 1096 CA GLY A 81 -12.316 -15.732 -2.233 1.00 0.00 C ATOM 1097 C GLY A 81 -12.788 -15.097 -3.514 1.00 0.00 C ATOM 1098 O GLY A 81 -12.007 -14.877 -4.437 1.00 0.00 O ATOM 0 H GLY A 81 -13.819 -15.766 -0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.842 -14.976 -1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.557 -16.481 -2.458 1.00 0.00 H new ATOM 1102 N PHE A 82 -14.070 -14.802 -3.570 1.00 0.00 N ATOM 1103 CA PHE A 82 -14.659 -14.193 -4.753 1.00 0.00 C ATOM 1104 C PHE A 82 -15.058 -12.774 -4.421 1.00 0.00 C ATOM 1105 O PHE A 82 -15.288 -12.487 -3.250 1.00 0.00 O ATOM 1106 CB PHE A 82 -15.873 -14.998 -5.232 1.00 0.00 C ATOM 1107 CG PHE A 82 -16.923 -15.206 -4.178 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -16.833 -16.271 -3.298 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -17.995 -14.336 -4.065 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -17.790 -16.463 -2.323 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -18.956 -14.525 -3.092 1.00 0.00 C ATOM 1112 CZ PHE A 82 -18.852 -15.590 -2.220 1.00 0.00 C ATOM 0 H PHE A 82 -14.729 -14.973 -2.810 1.00 0.00 H new ATOM 0 HA PHE A 82 -13.928 -14.188 -5.562 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -16.323 -14.486 -6.082 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -15.533 -15.970 -5.589 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -16.004 -16.959 -3.376 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -18.080 -13.501 -4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -17.707 -17.296 -1.641 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -19.788 -13.841 -3.013 1.00 0.00 H new ATOM 0 HZ PHE A 82 -19.602 -15.739 -1.458 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.130 -11.901 -5.427 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.507 -10.503 -5.212 1.00 0.00 C ATOM 1123 C ARG A 83 -15.263 -9.658 -6.463 1.00 0.00 C ATOM 1124 O ARG A 83 -15.417 -10.140 -7.587 1.00 0.00 O ATOM 1125 CB ARG A 83 -14.717 -9.930 -4.048 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.534 -9.122 -3.060 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.482 -10.011 -2.276 1.00 0.00 C ATOM 1128 NE ARG A 83 -17.667 -10.354 -3.052 1.00 0.00 N ATOM 1129 CZ ARG A 83 -18.869 -10.567 -2.528 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -19.072 -10.418 -1.224 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -19.876 -10.916 -3.316 1.00 0.00 N ATOM 0 H ARG A 83 -14.932 -12.138 -6.399 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.573 -10.474 -4.986 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.236 -10.750 -3.515 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.922 -9.298 -4.443 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.867 -8.601 -2.373 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.103 -8.359 -3.592 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.964 -10.923 -1.980 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.782 -9.504 -1.359 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.567 -10.436 -4.064 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.302 -10.138 -0.617 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -19.998 -10.584 -0.830 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -19.726 -11.020 -4.320 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -20.801 -11.081 -2.919 1.00 0.00 H new ATOM 1142 N GLU A 84 -14.873 -8.401 -6.256 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.636 -7.466 -7.348 1.00 0.00 C ATOM 1144 C GLU A 84 -13.270 -6.792 -7.196 1.00 0.00 C ATOM 1145 O GLU A 84 -12.720 -6.744 -6.102 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.751 -6.414 -7.331 1.00 0.00 C ATOM 1147 CG GLU A 84 -15.698 -5.428 -8.480 1.00 0.00 C ATOM 1148 CD GLU A 84 -15.793 -6.109 -9.824 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -16.916 -6.471 -10.234 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -14.744 -6.286 -10.476 1.00 0.00 O ATOM 0 H GLU A 84 -14.714 -8.006 -5.329 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.639 -8.001 -8.297 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.715 -6.923 -7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.699 -5.863 -6.392 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.514 -4.712 -8.379 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.768 -4.861 -8.427 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.721 -6.290 -8.303 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.430 -5.603 -8.284 1.00 0.00 C ATOM 1157 C ARG A 85 -11.640 -4.150 -7.862 1.00 0.00 C ATOM 1158 O ARG A 85 -12.723 -3.599 -8.077 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.779 -5.659 -9.666 1.00 0.00 C ATOM 1160 CG ARG A 85 -9.331 -5.195 -9.696 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.764 -5.270 -11.103 1.00 0.00 C ATOM 1162 NE ARG A 85 -7.358 -4.865 -11.164 1.00 0.00 N ATOM 1163 CZ ARG A 85 -6.531 -5.216 -12.150 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -6.967 -5.984 -13.143 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -5.268 -4.797 -12.149 1.00 0.00 N ATOM 0 H ARG A 85 -13.152 -6.347 -9.226 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.769 -6.097 -7.572 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.828 -6.683 -10.036 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.360 -5.044 -10.353 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.266 -4.171 -9.328 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.733 -5.813 -9.026 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.862 -6.289 -11.477 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.352 -4.631 -11.762 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.991 -4.283 -10.411 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.935 -6.306 -13.152 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.334 -6.252 -13.896 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.928 -4.204 -11.392 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.640 -5.068 -12.906 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.614 -3.522 -7.290 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.751 -2.142 -6.817 1.00 0.00 C ATOM 1178 C GLN A 86 -9.383 -1.495 -6.544 1.00 0.00 C ATOM 1179 O GLN A 86 -8.338 -2.114 -6.744 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.600 -2.171 -5.542 1.00 0.00 C ATOM 1181 CG GLN A 86 -12.203 -0.835 -5.134 1.00 0.00 C ATOM 1182 CD GLN A 86 -13.139 -0.963 -3.946 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -13.821 -2.095 -3.837 1.00 0.00 O flip ATOM 1184 NE2 GLN A 86 -13.256 -0.050 -3.131 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.693 -3.936 -7.144 1.00 0.00 H new ATOM 0 HA GLN A 86 -11.231 -1.537 -7.586 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -12.408 -2.889 -5.679 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.983 -2.538 -4.722 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.402 -0.137 -4.889 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.747 -0.412 -5.978 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.716 0.808 -3.245 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.893 -0.150 -2.341 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.401 -0.240 -6.096 1.00 0.00 N ATOM 1192 CA GLY A 87 -8.174 0.472 -5.787 1.00 0.00 C ATOM 1193 C GLY A 87 -8.329 1.362 -4.563 1.00 0.00 C ATOM 1194 O GLY A 87 -9.436 1.804 -4.252 1.00 0.00 O ATOM 0 H GLY A 87 -10.253 0.299 -5.941 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.371 -0.245 -5.615 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.881 1.080 -6.643 1.00 0.00 H new ATOM 1198 N ILE A 88 -7.229 1.622 -3.865 1.00 0.00 N ATOM 1199 CA ILE A 88 -7.256 2.461 -2.671 1.00 0.00 C ATOM 1200 C ILE A 88 -6.157 3.518 -2.732 1.00 0.00 C ATOM 1201 O ILE A 88 -5.059 3.267 -3.233 1.00 0.00 O ATOM 1202 CB ILE A 88 -7.109 1.629 -1.371 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -7.080 2.547 -0.145 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.864 0.753 -1.422 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -7.051 1.807 1.172 1.00 0.00 C ATOM 0 H ILE A 88 -6.305 1.263 -4.106 1.00 0.00 H new ATOM 0 HA ILE A 88 -8.230 2.950 -2.648 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.976 0.973 -1.287 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.204 3.193 -0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.956 3.195 -0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.784 0.180 -0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.934 0.070 -2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.981 1.382 -1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.031 2.525 1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.940 1.182 1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.161 1.180 1.217 1.00 0.00 H new ATOM 1216 N ASP A 89 -6.466 4.695 -2.218 1.00 0.00 N ATOM 1217 CA ASP A 89 -5.534 5.809 -2.216 1.00 0.00 C ATOM 1218 C ASP A 89 -4.562 5.719 -1.040 1.00 0.00 C ATOM 1219 O ASP A 89 -4.973 5.477 0.096 1.00 0.00 O ATOM 1220 CB ASP A 89 -6.317 7.113 -2.158 1.00 0.00 C ATOM 1221 CG ASP A 89 -5.418 8.317 -2.130 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -5.007 8.780 -3.212 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -5.123 8.812 -1.026 1.00 0.00 O ATOM 0 H ASP A 89 -7.368 4.906 -1.791 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.943 5.774 -3.131 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.978 7.176 -3.022 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.951 7.115 -1.271 1.00 0.00 H new ATOM 1227 N LEU A 90 -3.274 5.922 -1.315 1.00 0.00 N ATOM 1228 CA LEU A 90 -2.250 5.846 -0.282 1.00 0.00 C ATOM 1229 C LEU A 90 -1.662 7.204 0.060 1.00 0.00 C ATOM 1230 O LEU A 90 -0.460 7.331 0.311 1.00 0.00 O ATOM 1231 CB LEU A 90 -1.123 4.937 -0.723 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.511 3.500 -0.996 1.00 0.00 C ATOM 1233 CD1 LEU A 90 -0.279 2.743 -1.409 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -2.156 2.869 0.227 1.00 0.00 C ATOM 0 H LEU A 90 -2.918 6.140 -2.246 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.741 5.450 0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.678 5.352 -1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.351 4.946 0.046 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.247 3.465 -1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.541 1.704 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.139 3.193 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.458 2.783 -0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.425 1.837 0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.453 2.889 1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.052 3.428 0.495 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.498 8.216 0.083 1.00 0.00 N ATOM 1246 CA ASN A 91 -2.048 9.563 0.429 1.00 0.00 C ATOM 1247 C ASN A 91 -1.826 9.675 1.931 1.00 0.00 C ATOM 1248 O ASN A 91 -1.496 10.738 2.454 1.00 0.00 O ATOM 1249 CB ASN A 91 -3.043 10.619 -0.045 1.00 0.00 C ATOM 1250 CG ASN A 91 -2.673 11.187 -1.406 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -1.929 12.164 -1.500 1.00 0.00 O ATOM 1252 ND2 ASN A 91 -3.184 10.588 -2.467 1.00 0.00 N ATOM 0 H ASN A 91 -3.492 8.142 -0.132 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.102 9.744 -0.082 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.040 10.180 -0.095 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.087 11.428 0.685 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -2.966 10.933 -3.402 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.797 9.781 -2.351 1.00 0.00 H new ATOM 1258 N ARG A 92 -2.010 8.558 2.616 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.831 8.488 4.055 1.00 0.00 C ATOM 1260 C ARG A 92 -0.438 7.977 4.405 1.00 0.00 C ATOM 1261 O ARG A 92 -0.064 7.930 5.573 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.872 7.561 4.669 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.282 8.104 4.630 1.00 0.00 C ATOM 1264 CD ARG A 92 -5.156 7.386 5.637 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.827 7.770 7.007 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.671 7.675 8.032 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.901 7.205 7.842 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.285 8.051 9.244 1.00 0.00 N ATOM 0 H ARG A 92 -2.288 7.674 2.189 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.951 9.494 4.458 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.847 6.606 4.144 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.599 7.362 5.705 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.272 9.173 4.845 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.697 7.984 3.629 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.203 7.612 5.437 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.035 6.309 5.522 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.892 8.134 7.190 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.199 6.917 6.910 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.547 7.133 8.628 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.342 8.412 9.390 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.931 7.979 10.030 1.00 0.00 H new ATOM 1279 N ILE A 93 0.325 7.579 3.400 1.00 0.00 N ATOM 1280 CA ILE A 93 1.665 7.064 3.639 1.00 0.00 C ATOM 1281 C ILE A 93 2.701 8.125 3.289 1.00 0.00 C ATOM 1282 O ILE A 93 3.013 8.354 2.116 1.00 0.00 O ATOM 1283 CB ILE A 93 1.920 5.763 2.846 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.748 4.795 3.044 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.219 5.102 3.289 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.440 4.508 4.501 1.00 0.00 C ATOM 0 H ILE A 93 0.044 7.602 2.420 1.00 0.00 H new ATOM 0 HA ILE A 93 1.753 6.821 4.698 1.00 0.00 H new ATOM 0 HB ILE A 93 2.007 6.016 1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.140 5.210 2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 93 0.972 3.857 2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.376 4.188 2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.051 5.785 3.118 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.160 4.859 4.350 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.400 3.816 4.566 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.314 4.063 4.977 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.184 5.438 5.009 1.00 0.00 H new ATOM 1297 N GLN A 94 3.215 8.784 4.318 1.00 0.00 N ATOM 1298 CA GLN A 94 4.190 9.846 4.138 1.00 0.00 C ATOM 1299 C GLN A 94 5.572 9.433 4.632 1.00 0.00 C ATOM 1300 O GLN A 94 5.714 8.546 5.475 1.00 0.00 O ATOM 1301 CB GLN A 94 3.743 11.100 4.897 1.00 0.00 C ATOM 1302 CG GLN A 94 2.517 11.797 4.315 1.00 0.00 C ATOM 1303 CD GLN A 94 2.862 12.820 3.241 1.00 0.00 C ATOM 1304 OE1 GLN A 94 3.932 12.581 2.497 1.00 0.00 O flip ATOM 1305 NE2 GLN A 94 2.171 13.829 3.088 1.00 0.00 N flip ATOM 0 H GLN A 94 2.970 8.599 5.291 1.00 0.00 H new ATOM 0 HA GLN A 94 4.254 10.054 3.070 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.531 10.826 5.931 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.571 11.809 4.918 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.848 11.048 3.892 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.973 12.293 5.119 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.354 13.982 3.679 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.417 14.511 2.371 1.00 0.00 H new ATOM 1312 N ASN A 95 6.583 10.089 4.092 1.00 0.00 N ATOM 1313 CA ASN A 95 7.964 9.853 4.473 1.00 0.00 C ATOM 1314 C ASN A 95 8.491 11.062 5.242 1.00 0.00 C ATOM 1315 O ASN A 95 8.614 12.157 4.695 1.00 0.00 O ATOM 1316 CB ASN A 95 8.837 9.576 3.235 1.00 0.00 C ATOM 1317 CG ASN A 95 8.795 10.691 2.197 1.00 0.00 C ATOM 1318 OD1 ASN A 95 7.774 11.357 2.009 1.00 0.00 O ATOM 1319 ND2 ASN A 95 9.907 10.895 1.506 1.00 0.00 N ATOM 0 H ASN A 95 6.469 10.804 3.373 1.00 0.00 H new ATOM 0 HA ASN A 95 8.008 8.972 5.113 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.868 9.427 3.554 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.509 8.646 2.770 1.00 0.00 H new ATOM 0 HD21 ASN A 95 9.937 11.622 0.792 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.733 10.325 1.689 1.00 0.00 H new ATOM 1325 N VAL A 96 8.773 10.872 6.516 1.00 0.00 N ATOM 1326 CA VAL A 96 9.276 11.947 7.351 1.00 0.00 C ATOM 1327 C VAL A 96 10.737 11.704 7.708 1.00 0.00 C ATOM 1328 O VAL A 96 11.083 10.712 8.353 1.00 0.00 O ATOM 1329 CB VAL A 96 8.418 12.135 8.628 1.00 0.00 C ATOM 1330 CG1 VAL A 96 8.329 10.853 9.449 1.00 0.00 C ATOM 1331 CG2 VAL A 96 8.951 13.287 9.470 1.00 0.00 C ATOM 0 H VAL A 96 8.662 9.980 6.998 1.00 0.00 H new ATOM 0 HA VAL A 96 9.206 12.872 6.778 1.00 0.00 H new ATOM 0 HB VAL A 96 7.406 12.381 8.308 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.719 11.030 10.335 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.875 10.066 8.847 1.00 0.00 H new ATOM 0 HG13 VAL A 96 9.330 10.546 9.753 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.334 13.402 10.361 1.00 0.00 H new ATOM 0 HG22 VAL A 96 9.979 13.077 9.765 1.00 0.00 H new ATOM 0 HG23 VAL A 96 8.921 14.208 8.887 1.00 0.00 H new ATOM 1341 N ASN A 97 11.594 12.592 7.218 1.00 0.00 N ATOM 1342 CA ASN A 97 13.031 12.521 7.463 1.00 0.00 C ATOM 1343 C ASN A 97 13.622 11.274 6.820 1.00 0.00 C ATOM 1344 O ASN A 97 14.671 10.780 7.230 1.00 0.00 O ATOM 1345 CB ASN A 97 13.332 12.535 8.962 1.00 0.00 C ATOM 1346 CG ASN A 97 14.343 13.595 9.331 1.00 0.00 C ATOM 1347 OD1 ASN A 97 15.548 13.346 9.346 1.00 0.00 O ATOM 1348 ND2 ASN A 97 13.852 14.784 9.632 1.00 0.00 N ATOM 0 H ASN A 97 11.313 13.383 6.639 1.00 0.00 H new ATOM 0 HA ASN A 97 13.492 13.400 7.013 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.409 12.708 9.515 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.706 11.557 9.265 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.480 15.545 9.891 1.00 0.00 H new ATOM 0 HD22 ASN A 97 12.845 14.941 9.605 1.00 0.00 H new ATOM 1354 N GLY A 98 12.931 10.773 5.808 1.00 0.00 N ATOM 1355 CA GLY A 98 13.377 9.589 5.106 1.00 0.00 C ATOM 1356 C GLY A 98 12.728 8.327 5.633 1.00 0.00 C ATOM 1357 O GLY A 98 12.861 7.261 5.039 1.00 0.00 O ATOM 0 H GLY A 98 12.060 11.171 5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.153 9.693 4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.460 9.503 5.196 1.00 0.00 H new ATOM 1361 N ARG A 99 12.008 8.449 6.737 1.00 0.00 N ATOM 1362 CA ARG A 99 11.347 7.305 7.345 1.00 0.00 C ATOM 1363 C ARG A 99 9.906 7.230 6.869 1.00 0.00 C ATOM 1364 O ARG A 99 9.213 8.244 6.826 1.00 0.00 O ATOM 1365 CB ARG A 99 11.389 7.429 8.866 1.00 0.00 C ATOM 1366 CG ARG A 99 12.793 7.609 9.419 1.00 0.00 C ATOM 1367 CD ARG A 99 12.850 8.760 10.407 1.00 0.00 C ATOM 1368 NE ARG A 99 11.989 8.529 11.568 1.00 0.00 N ATOM 1369 CZ ARG A 99 11.592 9.481 12.411 1.00 0.00 C ATOM 1370 NH1 ARG A 99 11.960 10.742 12.213 1.00 0.00 N ATOM 1371 NH2 ARG A 99 10.821 9.164 13.447 1.00 0.00 N ATOM 0 H ARG A 99 11.866 9.330 7.231 1.00 0.00 H new ATOM 0 HA ARG A 99 11.867 6.393 7.050 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.775 8.276 9.171 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.944 6.538 9.308 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.115 6.690 9.909 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.488 7.794 8.600 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.878 8.901 10.740 1.00 0.00 H new ATOM 0 HD3 ARG A 99 12.547 9.681 9.909 1.00 0.00 H new ATOM 0 HE ARG A 99 11.672 7.576 11.743 1.00 0.00 H new ATOM 0 HH11 ARG A 99 12.547 10.982 11.415 1.00 0.00 H new ATOM 0 HH12 ARG A 99 11.655 11.470 12.859 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.536 8.196 13.593 1.00 0.00 H new ATOM 0 HH22 ARG A 99 10.514 9.889 14.095 1.00 0.00 H new ATOM 1382 N LEU A 100 9.455 6.039 6.521 1.00 0.00 N ATOM 1383 CA LEU A 100 8.095 5.865 6.043 1.00 0.00 C ATOM 1384 C LEU A 100 7.168 5.623 7.224 1.00 0.00 C ATOM 1385 O LEU A 100 7.304 4.627 7.935 1.00 0.00 O ATOM 1386 CB LEU A 100 8.013 4.698 5.059 1.00 0.00 C ATOM 1387 CG LEU A 100 7.084 4.937 3.871 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.622 6.064 3.009 1.00 0.00 C ATOM 1389 CD2 LEU A 100 6.922 3.669 3.046 1.00 0.00 C ATOM 0 H LEU A 100 10.007 5.182 6.560 1.00 0.00 H new ATOM 0 HA LEU A 100 7.786 6.771 5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.014 4.484 4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.677 3.810 5.595 1.00 0.00 H new ATOM 0 HG LEU A 100 6.103 5.220 4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.953 6.227 2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.687 6.976 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.613 5.799 2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.256 3.864 2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.895 3.352 2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.499 2.881 3.669 1.00 0.00 H new ATOM 1400 N VAL A 101 6.238 6.541 7.442 1.00 0.00 N ATOM 1401 CA VAL A 101 5.306 6.433 8.556 1.00 0.00 C ATOM 1402 C VAL A 101 3.874 6.638 8.080 1.00 0.00 C ATOM 1403 O VAL A 101 3.610 7.469 7.209 1.00 0.00 O ATOM 1404 CB VAL A 101 5.622 7.479 9.654 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.733 7.287 10.873 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.087 7.419 10.056 1.00 0.00 C ATOM 0 H VAL A 101 6.108 7.370 6.862 1.00 0.00 H new ATOM 0 HA VAL A 101 5.415 5.432 8.973 1.00 0.00 H new ATOM 0 HB VAL A 101 5.417 8.464 9.236 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.980 8.036 11.625 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.688 7.395 10.582 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.893 6.291 11.287 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.283 8.163 10.828 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.318 6.426 10.442 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.712 7.625 9.187 1.00 0.00 H new ATOM 1416 N PHE A 102 2.957 5.866 8.640 1.00 0.00 N ATOM 1417 CA PHE A 102 1.555 5.985 8.289 1.00 0.00 C ATOM 1418 C PHE A 102 0.946 7.181 9.005 1.00 0.00 C ATOM 1419 O PHE A 102 1.214 7.415 10.187 1.00 0.00 O ATOM 1420 CB PHE A 102 0.790 4.708 8.649 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.690 4.924 8.817 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.524 5.066 7.717 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -1.244 5.003 10.086 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.875 5.280 7.884 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.597 5.214 10.255 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.412 5.353 9.152 1.00 0.00 C ATOM 0 H PHE A 102 3.160 5.151 9.339 1.00 0.00 H new ATOM 0 HA PHE A 102 1.479 6.132 7.212 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.955 3.963 7.870 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.197 4.298 9.573 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -1.110 5.008 6.721 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.608 4.898 10.953 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.514 5.391 7.021 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -3.016 5.270 11.249 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.471 5.519 9.281 1.00 0.00 H new ATOM 1435 N GLN A 103 0.140 7.935 8.287 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.507 9.105 8.845 1.00 0.00 C ATOM 1437 C GLN A 103 -2.022 8.997 8.685 1.00 0.00 C ATOM 1438 O GLN A 103 -2.514 9.139 7.546 1.00 0.00 O ATOM 1439 CB GLN A 103 0.016 10.362 8.146 1.00 0.00 C ATOM 1440 CG GLN A 103 0.013 11.607 9.022 1.00 0.00 C ATOM 1441 CD GLN A 103 1.036 11.555 10.151 1.00 0.00 C ATOM 1442 OE1 GLN A 103 2.162 10.893 9.922 1.00 0.00 O flip ATOM 1443 NE2 GLN A 103 0.824 12.127 11.221 1.00 0.00 N flip ATOM 1444 OXT GLN A 103 -2.715 8.768 9.696 1.00 0.00 O ATOM 0 H GLN A 103 -0.084 7.757 7.308 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.278 9.169 9.909 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.033 10.176 7.801 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.591 10.552 7.261 1.00 0.00 H new ATOM 0 HG2 GLN A 103 0.213 12.480 8.401 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.981 11.740 9.448 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.052 12.628 11.367 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.525 12.100 11.962 1.00 0.00 H new TER 1451 GLN A 103