USER MOD reduce.3.24.130724 H: found=0, std=0, add=1155, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1158 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -104:sc= 0.0244 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -68:sc= -0.735 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.0256 X(o=-0.026,f=-0.22) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -1:sc= 0.99 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 56 SER OG : rot 72:sc= 0.645 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -157:sc= -0.114 (180deg=-0.893) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.408 USER MOD Single : A 80 HIS : no HE2:sc= -2.32! C(o=-2.3!,f=-3.3!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : B 109 THR OG1 : rot 180:sc= 0 USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 138 THR OG1 : rot -60:sc= -0.734 USER MOD Single : B 145 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 148 ASN : amide:sc= -0.0122 X(o=-0.012,f=-0.2) USER MOD Single : B 149 TYR OH : rot 180:sc= 0 USER MOD Single : B 152 SER OG : rot 0:sc= 0.962 USER MOD Single : B 155 GLN : amide:sc= 0 X(o=0,f=-0.0096) USER MOD Single : B 156 SER OG : rot 78:sc= 0.737 USER MOD Single : B 158 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 159 LYS NZ :NH3+ 165:sc= -0.223 (180deg=-0.688) USER MOD Single : B 163 SER OG : rot 180:sc= 0 USER MOD Single : B 175 SER OG : rot 180:sc= -0.423 USER MOD Single : B 180 HIS : no HE2:sc= -2.63! C(o=-2.6!,f=-3.6!) USER MOD Single : B 192 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 21.238 39.267 -0.670 1.00 8.20 N ATOM 2 CA ALA A 1 20.927 37.982 0.011 1.00 7.60 C ATOM 3 C ALA A 1 21.265 36.794 -0.877 1.00 6.81 C ATOM 4 O ALA A 1 21.165 36.867 -2.103 1.00 6.87 O ATOM 5 CB ALA A 1 19.455 37.927 0.402 1.00 7.98 C ATOM 0 H1 ALA A 1 22.114 39.665 -0.276 1.00 8.20 H new ATOM 0 H2 ALA A 1 21.361 39.099 -1.689 1.00 8.20 H new ATOM 0 H3 ALA A 1 20.456 39.937 -0.522 1.00 8.20 H new ATOM 0 HA ALA A 1 21.540 37.928 0.911 1.00 7.60 H new ATOM 0 HB1 ALA A 1 19.246 36.980 0.899 1.00 7.98 H new ATOM 0 HB2 ALA A 1 19.227 38.750 1.079 1.00 7.98 H new ATOM 0 HB3 ALA A 1 18.838 38.012 -0.492 1.00 7.98 H new ATOM 13 N VAL A 2 21.654 35.691 -0.246 1.00 6.38 N ATOM 14 CA VAL A 2 21.990 34.483 -0.969 1.00 5.93 C ATOM 15 C VAL A 2 20.763 33.889 -1.644 1.00 4.99 C ATOM 16 O VAL A 2 19.767 33.544 -1.003 1.00 4.92 O ATOM 17 CB VAL A 2 22.632 33.440 -0.047 1.00 6.69 C ATOM 18 CG1 VAL A 2 21.666 33.035 1.050 1.00 7.12 C ATOM 19 CG2 VAL A 2 23.094 32.227 -0.842 1.00 7.10 C ATOM 0 H VAL A 2 21.743 35.615 0.767 1.00 6.38 H new ATOM 0 HA VAL A 2 22.714 34.759 -1.736 1.00 5.93 H new ATOM 0 HB VAL A 2 23.509 33.887 0.420 1.00 6.69 H new ATOM 0 HG11 VAL A 2 22.138 32.294 1.695 1.00 7.12 H new ATOM 0 HG12 VAL A 2 21.397 33.911 1.640 1.00 7.12 H new ATOM 0 HG13 VAL A 2 20.768 32.608 0.604 1.00 7.12 H new ATOM 0 HG21 VAL A 2 23.546 31.500 -0.167 1.00 7.10 H new ATOM 0 HG22 VAL A 2 22.239 31.773 -1.343 1.00 7.10 H new ATOM 0 HG23 VAL A 2 23.828 32.537 -1.586 1.00 7.10 H new ATOM 29 N LEU A 3 20.866 33.815 -2.951 1.00 4.45 N ATOM 30 CA LEU A 3 19.840 33.298 -3.819 1.00 3.70 C ATOM 31 C LEU A 3 20.517 32.837 -5.075 1.00 3.65 C ATOM 32 O LEU A 3 20.477 33.560 -6.103 1.00 3.81 O ATOM 33 CB LEU A 3 18.820 34.408 -4.183 1.00 3.65 C ATOM 34 CG LEU A 3 17.447 34.259 -3.547 1.00 3.70 C ATOM 35 CD1 LEU A 3 16.976 32.810 -3.583 1.00 3.81 C ATOM 36 CD2 LEU A 3 17.493 34.790 -2.128 1.00 4.54 C ATOM 0 H LEU A 3 21.697 34.125 -3.454 1.00 4.45 H new ATOM 0 HA LEU A 3 19.305 32.488 -3.323 1.00 3.70 H new ATOM 0 HB2 LEU A 3 19.236 35.372 -3.890 1.00 3.65 H new ATOM 0 HB3 LEU A 3 18.701 34.429 -5.266 1.00 3.65 H new ATOM 0 HG LEU A 3 16.724 34.841 -4.119 1.00 3.70 H new ATOM 0 HD11 LEU A 3 15.992 32.736 -3.121 1.00 3.81 H new ATOM 0 HD12 LEU A 3 16.918 32.472 -4.618 1.00 3.81 H new ATOM 0 HD13 LEU A 3 17.681 32.184 -3.036 1.00 3.81 H new ATOM 0 HD21 LEU A 3 16.510 34.685 -1.668 1.00 4.54 H new ATOM 0 HD22 LEU A 3 18.226 34.225 -1.552 1.00 4.54 H new ATOM 0 HD23 LEU A 3 17.776 35.842 -2.142 1.00 4.54 H new ATOM 48 N ASP A 4 21.165 31.652 -5.029 1.00 3.82 N ATOM 49 CA ASP A 4 21.822 31.198 -6.226 1.00 4.10 C ATOM 50 C ASP A 4 20.810 31.000 -7.337 1.00 3.95 C ATOM 51 O ASP A 4 20.779 29.966 -8.006 1.00 4.32 O ATOM 52 CB ASP A 4 22.613 29.905 -5.981 1.00 4.92 C ATOM 53 CG ASP A 4 23.889 29.784 -6.809 1.00 5.53 C ATOM 54 OD1 ASP A 4 24.946 30.282 -6.360 1.00 5.69 O ATOM 55 OD2 ASP A 4 23.836 29.169 -7.897 1.00 6.12 O ATOM 0 H ASP A 4 21.235 31.039 -4.217 1.00 3.82 H new ATOM 0 HA ASP A 4 22.534 31.966 -6.528 1.00 4.10 H new ATOM 0 HB2 ASP A 4 22.873 29.846 -4.924 1.00 4.92 H new ATOM 0 HB3 ASP A 4 21.970 29.052 -6.199 1.00 4.92 H new ATOM 60 N LEU A 5 19.978 32.028 -7.533 1.00 3.89 N ATOM 61 CA LEU A 5 19.003 32.033 -8.505 1.00 4.38 C ATOM 62 C LEU A 5 18.699 33.464 -8.909 1.00 4.80 C ATOM 63 O LEU A 5 19.151 33.975 -9.937 1.00 5.48 O ATOM 64 CB LEU A 5 17.808 31.402 -7.933 1.00 4.80 C ATOM 65 CG LEU A 5 17.967 29.942 -7.600 1.00 5.53 C ATOM 66 CD1 LEU A 5 16.700 29.506 -6.889 1.00 5.50 C ATOM 67 CD2 LEU A 5 18.269 29.142 -8.882 1.00 6.29 C ATOM 0 H LEU A 5 20.006 32.882 -6.976 1.00 3.89 H new ATOM 0 HA LEU A 5 19.330 31.489 -9.391 1.00 4.38 H new ATOM 0 HB2 LEU A 5 17.528 31.939 -7.027 1.00 4.80 H new ATOM 0 HB3 LEU A 5 16.983 31.513 -8.637 1.00 4.80 H new ATOM 0 HG LEU A 5 18.812 29.757 -6.937 1.00 5.53 H new ATOM 0 HD11 LEU A 5 16.774 28.450 -6.629 1.00 5.50 H new ATOM 0 HD12 LEU A 5 16.571 30.095 -5.981 1.00 5.50 H new ATOM 0 HD13 LEU A 5 15.843 29.659 -7.545 1.00 5.50 H new ATOM 0 HD21 LEU A 5 18.383 28.087 -8.634 1.00 6.29 H new ATOM 0 HD22 LEU A 5 17.447 29.262 -9.588 1.00 6.29 H new ATOM 0 HD23 LEU A 5 19.191 29.510 -9.332 1.00 6.29 H new ATOM 79 N ASP A 6 17.907 34.079 -8.073 1.00 4.63 N ATOM 80 CA ASP A 6 17.475 35.449 -8.279 1.00 5.24 C ATOM 81 C ASP A 6 16.805 36.077 -7.035 1.00 5.28 C ATOM 82 O ASP A 6 17.330 37.047 -6.490 1.00 5.81 O ATOM 83 CB ASP A 6 16.532 35.429 -9.453 1.00 5.83 C ATOM 84 CG ASP A 6 16.996 36.284 -10.625 1.00 6.46 C ATOM 85 OD1 ASP A 6 18.223 36.437 -10.818 1.00 6.84 O ATOM 86 OD2 ASP A 6 16.123 36.794 -11.360 1.00 6.75 O ATOM 0 H ASP A 6 17.538 33.649 -7.225 1.00 4.63 H new ATOM 0 HA ASP A 6 18.345 36.078 -8.470 1.00 5.24 H new ATOM 0 HB2 ASP A 6 16.409 34.400 -9.791 1.00 5.83 H new ATOM 0 HB3 ASP A 6 15.552 35.777 -9.127 1.00 5.83 H new ATOM 91 N VAL A 7 15.648 35.538 -6.582 1.00 4.86 N ATOM 92 CA VAL A 7 14.960 36.076 -5.407 1.00 4.92 C ATOM 93 C VAL A 7 14.213 34.953 -4.714 1.00 3.95 C ATOM 94 O VAL A 7 13.373 34.284 -5.328 1.00 3.76 O ATOM 95 CB VAL A 7 13.922 37.171 -5.795 1.00 5.88 C ATOM 96 CG1 VAL A 7 12.897 36.619 -6.780 1.00 6.04 C ATOM 97 CG2 VAL A 7 13.236 37.720 -4.550 1.00 6.15 C ATOM 0 H VAL A 7 15.183 34.739 -7.014 1.00 4.86 H new ATOM 0 HA VAL A 7 15.714 36.519 -4.756 1.00 4.92 H new ATOM 0 HB VAL A 7 14.452 37.989 -6.283 1.00 5.88 H new ATOM 0 HG11 VAL A 7 12.182 37.400 -7.037 1.00 6.04 H new ATOM 0 HG12 VAL A 7 13.405 36.281 -7.683 1.00 6.04 H new ATOM 0 HG13 VAL A 7 12.370 35.780 -6.325 1.00 6.04 H new ATOM 0 HG21 VAL A 7 12.514 38.484 -4.839 1.00 6.15 H new ATOM 0 HG22 VAL A 7 12.721 36.911 -4.032 1.00 6.15 H new ATOM 0 HG23 VAL A 7 13.982 38.158 -3.887 1.00 6.15 H new ATOM 107 N ARG A 8 14.540 34.731 -3.453 1.00 3.70 N ATOM 108 CA ARG A 8 13.930 33.701 -2.682 1.00 3.00 C ATOM 109 C ARG A 8 12.562 34.071 -2.219 1.00 2.85 C ATOM 110 O ARG A 8 12.429 34.694 -1.169 1.00 3.32 O ATOM 111 CB ARG A 8 14.785 33.478 -1.409 1.00 3.47 C ATOM 112 CG ARG A 8 15.205 34.760 -0.658 1.00 4.23 C ATOM 113 CD ARG A 8 14.405 35.000 0.599 1.00 5.08 C ATOM 114 NE ARG A 8 13.818 36.327 0.593 1.00 5.69 N ATOM 115 CZ ARG A 8 12.839 36.702 1.397 1.00 6.56 C ATOM 116 NH1 ARG A 8 12.343 35.841 2.283 1.00 6.97 N ATOM 117 NH2 ARG A 8 12.353 37.934 1.299 1.00 7.30 N ATOM 0 H ARG A 8 15.242 35.272 -2.947 1.00 3.70 H new ATOM 0 HA ARG A 8 13.863 32.815 -3.314 1.00 3.00 H new ATOM 0 HB2 ARG A 8 14.225 32.843 -0.723 1.00 3.47 H new ATOM 0 HB3 ARG A 8 15.685 32.930 -1.688 1.00 3.47 H new ATOM 0 HG2 ARG A 8 16.262 34.693 -0.401 1.00 4.23 H new ATOM 0 HG3 ARG A 8 15.092 35.617 -1.322 1.00 4.23 H new ATOM 0 HD2 ARG A 8 13.618 34.250 0.683 1.00 5.08 H new ATOM 0 HD3 ARG A 8 15.048 34.886 1.472 1.00 5.08 H new ATOM 0 HE ARG A 8 14.183 37.010 -0.071 1.00 5.69 H new ATOM 0 HH11 ARG A 8 12.719 34.894 2.340 1.00 6.97 H new ATOM 0 HH12 ARG A 8 11.587 36.128 2.905 1.00 6.97 H new ATOM 0 HH21 ARG A 8 12.736 38.580 0.608 1.00 7.30 H new ATOM 0 HH22 ARG A 8 11.597 38.235 1.914 1.00 7.30 H new ATOM 131 N THR A 9 11.525 33.595 -2.863 1.00 2.63 N ATOM 132 CA THR A 9 10.262 33.858 -2.250 1.00 2.75 C ATOM 133 C THR A 9 9.879 32.544 -1.613 1.00 2.05 C ATOM 134 O THR A 9 9.352 31.634 -2.253 1.00 1.98 O ATOM 135 CB THR A 9 9.248 34.369 -3.269 1.00 3.42 C ATOM 136 OG1 THR A 9 7.983 34.597 -2.666 1.00 4.01 O ATOM 137 CG2 THR A 9 9.047 33.424 -4.419 1.00 3.87 C ATOM 0 H THR A 9 11.526 33.068 -3.736 1.00 2.63 H new ATOM 0 HA THR A 9 10.300 34.652 -1.505 1.00 2.75 H new ATOM 0 HB THR A 9 9.666 35.301 -3.648 1.00 3.42 H new ATOM 0 HG1 THR A 9 7.353 34.925 -3.341 1.00 4.01 H new ATOM 0 HG21 THR A 9 8.315 33.842 -5.110 1.00 3.87 H new ATOM 0 HG22 THR A 9 9.994 33.277 -4.939 1.00 3.87 H new ATOM 0 HG23 THR A 9 8.686 32.466 -4.044 1.00 3.87 H new ATOM 145 N CYS A 10 10.208 32.471 -0.337 1.00 2.05 N ATOM 146 CA CYS A 10 9.982 31.268 0.475 1.00 1.75 C ATOM 147 C CYS A 10 8.490 31.065 0.868 1.00 1.42 C ATOM 148 O CYS A 10 8.111 31.400 1.992 1.00 1.48 O ATOM 149 CB CYS A 10 10.834 31.346 1.757 1.00 2.38 C ATOM 150 SG CYS A 10 12.463 30.545 1.579 1.00 2.64 S ATOM 0 H CYS A 10 10.640 33.240 0.176 1.00 2.05 H new ATOM 0 HA CYS A 10 10.273 30.415 -0.138 1.00 1.75 H new ATOM 0 HB2 CYS A 10 10.977 32.392 2.029 1.00 2.38 H new ATOM 0 HB3 CYS A 10 10.291 30.875 2.577 1.00 2.38 H new ATOM 155 N LEU A 11 7.643 30.531 -0.035 1.00 1.27 N ATOM 156 CA LEU A 11 6.204 30.298 0.279 1.00 1.20 C ATOM 157 C LEU A 11 6.003 29.897 1.741 1.00 1.05 C ATOM 158 O LEU A 11 6.439 28.809 2.138 1.00 0.93 O ATOM 159 CB LEU A 11 5.592 29.185 -0.585 1.00 1.38 C ATOM 160 CG LEU A 11 4.932 29.618 -1.911 1.00 1.92 C ATOM 161 CD1 LEU A 11 5.251 31.072 -2.262 1.00 2.58 C ATOM 162 CD2 LEU A 11 5.389 28.704 -3.031 1.00 2.75 C ATOM 0 H LEU A 11 7.918 30.254 -0.977 1.00 1.27 H new ATOM 0 HA LEU A 11 5.707 31.246 0.070 1.00 1.20 H new ATOM 0 HB2 LEU A 11 6.376 28.464 -0.815 1.00 1.38 H new ATOM 0 HB3 LEU A 11 4.844 28.663 0.012 1.00 1.38 H new ATOM 0 HG LEU A 11 3.852 29.541 -1.786 1.00 1.92 H new ATOM 0 HD11 LEU A 11 4.766 31.334 -3.202 1.00 2.58 H new ATOM 0 HD12 LEU A 11 4.885 31.726 -1.471 1.00 2.58 H new ATOM 0 HD13 LEU A 11 6.329 31.194 -2.363 1.00 2.58 H new ATOM 0 HD21 LEU A 11 4.921 29.012 -3.966 1.00 2.75 H new ATOM 0 HD22 LEU A 11 6.473 28.764 -3.130 1.00 2.75 H new ATOM 0 HD23 LEU A 11 5.102 27.677 -2.803 1.00 2.75 H new ATOM 174 N PRO A 12 5.343 30.752 2.558 1.00 1.19 N ATOM 175 CA PRO A 12 5.095 30.465 3.982 1.00 1.16 C ATOM 176 C PRO A 12 3.977 29.436 4.209 1.00 1.08 C ATOM 177 O PRO A 12 2.829 29.695 3.870 1.00 1.30 O ATOM 178 CB PRO A 12 4.662 31.833 4.532 1.00 1.49 C ATOM 179 CG PRO A 12 4.018 32.509 3.372 1.00 1.66 C ATOM 180 CD PRO A 12 4.793 32.072 2.158 1.00 1.51 C ATOM 0 HA PRO A 12 5.972 30.032 4.462 1.00 1.16 H new ATOM 0 HB2 PRO A 12 3.968 31.725 5.365 1.00 1.49 H new ATOM 0 HB3 PRO A 12 5.516 32.402 4.900 1.00 1.49 H new ATOM 0 HG2 PRO A 12 2.969 32.226 3.288 1.00 1.66 H new ATOM 0 HG3 PRO A 12 4.048 33.593 3.485 1.00 1.66 H new ATOM 0 HD2 PRO A 12 4.152 31.991 1.280 1.00 1.51 H new ATOM 0 HD3 PRO A 12 5.585 32.779 1.911 1.00 1.51 H new ATOM 188 N CYS A 13 4.296 28.284 4.817 1.00 0.95 N ATOM 189 CA CYS A 13 3.277 27.278 5.094 1.00 0.95 C ATOM 190 C CYS A 13 3.341 26.791 6.547 1.00 0.93 C ATOM 191 O CYS A 13 4.140 27.282 7.348 1.00 0.99 O ATOM 192 CB CYS A 13 3.378 26.103 4.119 1.00 1.01 C ATOM 193 SG CYS A 13 4.644 24.848 4.526 1.00 1.30 S ATOM 0 H CYS A 13 5.237 28.034 5.120 1.00 0.95 H new ATOM 0 HA CYS A 13 2.307 27.754 4.949 1.00 0.95 H new ATOM 0 HB2 CYS A 13 2.407 25.611 4.069 1.00 1.01 H new ATOM 0 HB3 CYS A 13 3.588 26.496 3.124 1.00 1.01 H new ATOM 198 N GLY A 14 2.471 25.844 6.887 1.00 1.00 N ATOM 199 CA GLY A 14 2.405 25.327 8.250 1.00 1.07 C ATOM 200 C GLY A 14 1.686 26.280 9.189 1.00 1.16 C ATOM 201 O GLY A 14 0.990 27.194 8.742 1.00 1.23 O ATOM 0 H GLY A 14 1.805 25.421 6.241 1.00 1.00 H new ATOM 0 HA2 GLY A 14 1.892 24.365 8.248 1.00 1.07 H new ATOM 0 HA3 GLY A 14 3.415 25.149 8.619 1.00 1.07 H new ATOM 205 N PRO A 15 1.862 26.110 10.507 1.00 1.30 N ATOM 206 CA PRO A 15 1.270 26.984 11.544 1.00 1.53 C ATOM 207 C PRO A 15 1.839 28.402 11.487 1.00 1.66 C ATOM 208 O PRO A 15 2.937 28.673 11.982 1.00 1.78 O ATOM 209 CB PRO A 15 1.718 26.300 12.830 1.00 1.70 C ATOM 210 CG PRO A 15 3.029 25.848 12.398 1.00 1.62 C ATOM 211 CD PRO A 15 2.720 25.108 11.141 1.00 1.38 C ATOM 0 HA PRO A 15 0.191 27.097 11.437 1.00 1.53 H new ATOM 0 HB2 PRO A 15 1.766 26.984 13.677 1.00 1.70 H new ATOM 0 HB3 PRO A 15 1.063 25.478 13.121 1.00 1.70 H new ATOM 0 HG2 PRO A 15 3.707 26.683 12.221 1.00 1.62 H new ATOM 0 HG3 PRO A 15 3.501 25.205 13.141 1.00 1.62 H new ATOM 0 HD2 PRO A 15 3.610 24.880 10.554 1.00 1.38 H new ATOM 0 HD3 PRO A 15 2.206 24.164 11.321 1.00 1.38 H new ATOM 219 N GLY A 16 1.087 29.279 10.892 1.00 1.79 N ATOM 220 CA GLY A 16 1.488 30.666 10.756 1.00 1.96 C ATOM 221 C GLY A 16 2.307 30.937 9.514 1.00 1.73 C ATOM 222 O GLY A 16 2.774 32.064 9.292 1.00 1.83 O ATOM 0 H GLY A 16 0.177 29.063 10.484 1.00 1.79 H new ATOM 0 HA2 GLY A 16 0.597 31.294 10.738 1.00 1.96 H new ATOM 0 HA3 GLY A 16 2.066 30.957 11.633 1.00 1.96 H new ATOM 226 N GLY A 17 2.440 29.928 8.678 1.00 1.48 N ATOM 227 CA GLY A 17 3.153 30.098 7.455 1.00 1.34 C ATOM 228 C GLY A 17 4.655 30.234 7.584 1.00 1.32 C ATOM 229 O GLY A 17 5.264 31.110 6.972 1.00 1.38 O ATOM 0 H GLY A 17 2.062 28.993 8.832 1.00 1.48 H new ATOM 0 HA2 GLY A 17 2.938 29.247 6.809 1.00 1.34 H new ATOM 0 HA3 GLY A 17 2.768 30.985 6.952 1.00 1.34 H new ATOM 233 N LYS A 18 5.245 29.384 8.385 1.00 1.33 N ATOM 234 CA LYS A 18 6.683 29.393 8.614 1.00 1.42 C ATOM 235 C LYS A 18 7.433 28.410 7.704 1.00 1.36 C ATOM 236 O LYS A 18 8.635 28.562 7.441 1.00 1.64 O ATOM 237 CB LYS A 18 6.918 29.077 10.078 1.00 1.60 C ATOM 238 CG LYS A 18 5.757 29.529 10.961 1.00 1.63 C ATOM 239 CD LYS A 18 6.234 30.086 12.272 1.00 1.95 C ATOM 240 CE LYS A 18 5.417 29.530 13.430 1.00 2.35 C ATOM 241 NZ LYS A 18 6.260 29.194 14.616 1.00 3.06 N ATOM 0 H LYS A 18 4.747 28.660 8.903 1.00 1.33 H new ATOM 0 HA LYS A 18 7.079 30.378 8.366 1.00 1.42 H new ATOM 0 HB2 LYS A 18 7.066 28.004 10.197 1.00 1.60 H new ATOM 0 HB3 LYS A 18 7.835 29.564 10.410 1.00 1.60 H new ATOM 0 HG2 LYS A 18 5.174 30.286 10.436 1.00 1.63 H new ATOM 0 HG3 LYS A 18 5.092 28.686 11.145 1.00 1.63 H new ATOM 0 HD2 LYS A 18 7.287 29.841 12.414 1.00 1.95 H new ATOM 0 HD3 LYS A 18 6.159 31.173 12.258 1.00 1.95 H new ATOM 0 HE2 LYS A 18 4.661 30.260 13.721 1.00 2.35 H new ATOM 0 HE3 LYS A 18 4.887 28.636 13.100 1.00 2.35 H new ATOM 0 HZ1 LYS A 18 5.657 28.820 15.376 1.00 3.06 H new ATOM 0 HZ2 LYS A 18 6.965 28.478 14.349 1.00 3.06 H new ATOM 0 HZ3 LYS A 18 6.746 30.050 14.950 1.00 3.06 H new ATOM 255 N GLY A 19 6.710 27.399 7.248 1.00 1.16 N ATOM 256 CA GLY A 19 7.281 26.393 6.389 1.00 1.14 C ATOM 257 C GLY A 19 7.379 26.867 4.974 1.00 1.00 C ATOM 258 O GLY A 19 6.887 27.938 4.634 1.00 1.05 O ATOM 0 H GLY A 19 5.723 27.260 7.464 1.00 1.16 H new ATOM 0 HA2 GLY A 19 8.273 26.124 6.752 1.00 1.14 H new ATOM 0 HA3 GLY A 19 6.671 25.491 6.429 1.00 1.14 H new ATOM 262 N ARG A 20 8.039 26.081 4.154 1.00 0.94 N ATOM 263 CA ARG A 20 8.230 26.441 2.766 1.00 0.88 C ATOM 264 C ARG A 20 7.628 25.380 1.873 1.00 0.78 C ATOM 265 O ARG A 20 7.608 24.212 2.243 1.00 0.80 O ATOM 266 CB ARG A 20 9.725 26.572 2.501 1.00 0.94 C ATOM 267 CG ARG A 20 10.271 27.984 2.623 1.00 1.23 C ATOM 268 CD ARG A 20 10.906 28.209 3.987 1.00 1.42 C ATOM 269 NE ARG A 20 12.329 27.846 4.014 1.00 1.63 N ATOM 270 CZ ARG A 20 13.113 27.997 5.086 1.00 1.95 C ATOM 271 NH1 ARG A 20 12.617 28.490 6.212 1.00 2.26 N ATOM 272 NH2 ARG A 20 14.395 27.649 5.038 1.00 2.62 N ATOM 0 H ARG A 20 8.453 25.188 4.423 1.00 0.94 H new ATOM 0 HA ARG A 20 7.736 27.389 2.552 1.00 0.88 H new ATOM 0 HB2 ARG A 20 10.261 25.928 3.198 1.00 0.94 H new ATOM 0 HB3 ARG A 20 9.936 26.201 1.498 1.00 0.94 H new ATOM 0 HG2 ARG A 20 11.009 28.161 1.841 1.00 1.23 H new ATOM 0 HG3 ARG A 20 9.466 28.703 2.470 1.00 1.23 H new ATOM 0 HD2 ARG A 20 10.797 29.257 4.266 1.00 1.42 H new ATOM 0 HD3 ARG A 20 10.371 27.623 4.734 1.00 1.42 H new ATOM 0 HE ARG A 20 12.742 27.457 3.167 1.00 1.63 H new ATOM 0 HH11 ARG A 20 11.634 28.756 6.263 1.00 2.26 H new ATOM 0 HH12 ARG A 20 13.219 28.604 7.028 1.00 2.26 H new ATOM 0 HH21 ARG A 20 14.787 27.264 4.179 1.00 2.62 H new ATOM 0 HH22 ARG A 20 14.987 27.767 5.860 1.00 2.62 H new ATOM 286 N CYS A 21 7.149 25.780 0.692 1.00 0.77 N ATOM 287 CA CYS A 21 6.541 24.800 -0.211 1.00 0.73 C ATOM 288 C CYS A 21 7.554 24.374 -1.265 1.00 0.76 C ATOM 289 O CYS A 21 8.184 25.192 -1.930 1.00 0.94 O ATOM 290 CB CYS A 21 5.295 25.377 -0.913 1.00 0.82 C ATOM 291 SG CYS A 21 3.802 25.512 0.131 1.00 1.22 S ATOM 0 H CYS A 21 7.168 26.740 0.347 1.00 0.77 H new ATOM 0 HA CYS A 21 6.235 23.941 0.386 1.00 0.73 H new ATOM 0 HB2 CYS A 21 5.541 26.367 -1.297 1.00 0.82 H new ATOM 0 HB3 CYS A 21 5.061 24.751 -1.774 1.00 0.82 H new ATOM 296 N PHE A 22 7.716 23.054 -1.358 1.00 0.70 N ATOM 297 CA PHE A 22 8.675 22.433 -2.269 1.00 0.83 C ATOM 298 C PHE A 22 7.968 21.713 -3.411 1.00 0.94 C ATOM 299 O PHE A 22 8.508 21.601 -4.516 1.00 1.59 O ATOM 300 CB PHE A 22 9.543 21.433 -1.487 1.00 0.93 C ATOM 301 CG PHE A 22 10.654 22.091 -0.707 1.00 1.00 C ATOM 302 CD1 PHE A 22 10.396 23.226 0.084 1.00 1.83 C ATOM 303 CD2 PHE A 22 11.968 21.598 -0.789 1.00 1.47 C ATOM 304 CE1 PHE A 22 11.422 23.852 0.770 1.00 2.15 C ATOM 305 CE2 PHE A 22 12.994 22.219 -0.097 1.00 1.79 C ATOM 306 CZ PHE A 22 12.721 23.349 0.681 1.00 1.82 C ATOM 0 H PHE A 22 7.184 22.385 -0.802 1.00 0.70 H new ATOM 0 HA PHE A 22 9.299 23.217 -2.699 1.00 0.83 H new ATOM 0 HB2 PHE A 22 8.909 20.872 -0.800 1.00 0.93 H new ATOM 0 HB3 PHE A 22 9.974 20.714 -2.184 1.00 0.93 H new ATOM 0 HD1 PHE A 22 9.390 23.611 0.156 1.00 1.83 H new ATOM 0 HD2 PHE A 22 12.178 20.730 -1.395 1.00 1.47 H new ATOM 0 HE1 PHE A 22 11.219 24.726 1.371 1.00 2.15 H new ATOM 0 HE2 PHE A 22 14.001 21.833 -0.158 1.00 1.79 H new ATOM 0 HZ PHE A 22 13.522 23.836 1.217 1.00 1.82 H new ATOM 316 N GLY A 23 6.764 21.218 -3.134 1.00 0.78 N ATOM 317 CA GLY A 23 5.998 20.503 -4.139 1.00 0.82 C ATOM 318 C GLY A 23 4.506 20.507 -3.852 1.00 0.80 C ATOM 319 O GLY A 23 4.052 21.166 -2.916 1.00 0.98 O ATOM 0 H GLY A 23 6.304 21.300 -2.227 1.00 0.78 H new ATOM 0 HA2 GLY A 23 6.177 20.954 -5.115 1.00 0.82 H new ATOM 0 HA3 GLY A 23 6.350 19.473 -4.194 1.00 0.82 H new ATOM 323 N PRO A 24 3.711 19.780 -4.654 1.00 0.71 N ATOM 324 CA PRO A 24 2.252 19.715 -4.481 1.00 0.79 C ATOM 325 C PRO A 24 1.822 19.314 -3.062 1.00 0.77 C ATOM 326 O PRO A 24 1.045 20.027 -2.430 1.00 0.85 O ATOM 327 CB PRO A 24 1.818 18.662 -5.503 1.00 0.90 C ATOM 328 CG PRO A 24 2.893 18.671 -6.537 1.00 0.93 C ATOM 329 CD PRO A 24 4.167 18.976 -5.801 1.00 0.77 C ATOM 0 HA PRO A 24 1.790 20.691 -4.630 1.00 0.79 H new ATOM 0 HB2 PRO A 24 1.721 17.679 -5.042 1.00 0.90 H new ATOM 0 HB3 PRO A 24 0.849 18.908 -5.937 1.00 0.90 H new ATOM 0 HG2 PRO A 24 2.955 17.708 -7.044 1.00 0.93 H new ATOM 0 HG3 PRO A 24 2.694 19.422 -7.302 1.00 0.93 H new ATOM 0 HD2 PRO A 24 4.673 18.066 -5.479 1.00 0.77 H new ATOM 0 HD3 PRO A 24 4.870 19.528 -6.425 1.00 0.77 H new ATOM 337 N SER A 25 2.326 18.177 -2.560 1.00 0.76 N ATOM 338 CA SER A 25 1.979 17.710 -1.204 1.00 0.81 C ATOM 339 C SER A 25 3.217 17.578 -0.335 1.00 0.75 C ATOM 340 O SER A 25 3.307 16.667 0.481 1.00 0.96 O ATOM 341 CB SER A 25 1.239 16.352 -1.237 1.00 0.90 C ATOM 342 OG SER A 25 -0.164 16.553 -1.206 1.00 0.96 O ATOM 0 H SER A 25 2.969 17.567 -3.065 1.00 0.76 H new ATOM 0 HA SER A 25 1.315 18.462 -0.777 1.00 0.81 H new ATOM 0 HB2 SER A 25 1.514 15.802 -2.137 1.00 0.90 H new ATOM 0 HB3 SER A 25 1.545 15.743 -0.386 1.00 0.90 H new ATOM 0 HG SER A 25 -0.619 15.686 -1.229 1.00 0.96 H new ATOM 348 N ILE A 26 4.174 18.477 -0.505 1.00 0.58 N ATOM 349 CA ILE A 26 5.382 18.414 0.284 1.00 0.56 C ATOM 350 C ILE A 26 5.863 19.807 0.705 1.00 0.55 C ATOM 351 O ILE A 26 6.301 20.600 -0.125 1.00 0.59 O ATOM 352 CB ILE A 26 6.486 17.671 -0.479 1.00 0.61 C ATOM 353 CG1 ILE A 26 5.935 16.395 -1.094 1.00 0.72 C ATOM 354 CG2 ILE A 26 7.650 17.383 0.430 1.00 0.99 C ATOM 355 CD1 ILE A 26 6.948 15.643 -1.926 1.00 0.76 C ATOM 0 H ILE A 26 4.135 19.246 -1.174 1.00 0.58 H new ATOM 0 HA ILE A 26 5.149 17.860 1.194 1.00 0.56 H new ATOM 0 HB ILE A 26 6.845 18.306 -1.289 1.00 0.61 H new ATOM 0 HG12 ILE A 26 5.574 15.743 -0.298 1.00 0.72 H new ATOM 0 HG13 ILE A 26 5.076 16.643 -1.717 1.00 0.72 H new ATOM 0 HG21 ILE A 26 8.425 16.856 -0.127 1.00 0.99 H new ATOM 0 HG22 ILE A 26 8.053 18.320 0.813 1.00 0.99 H new ATOM 0 HG23 ILE A 26 7.317 16.764 1.263 1.00 0.99 H new ATOM 0 HD11 ILE A 26 6.488 14.743 -2.334 1.00 0.76 H new ATOM 0 HD12 ILE A 26 7.291 16.278 -2.743 1.00 0.76 H new ATOM 0 HD13 ILE A 26 7.797 15.365 -1.302 1.00 0.76 H new ATOM 367 N CYS A 27 5.779 20.099 2.004 1.00 0.59 N ATOM 368 CA CYS A 27 6.210 21.403 2.530 1.00 0.62 C ATOM 369 C CYS A 27 7.205 21.209 3.662 1.00 0.62 C ATOM 370 O CYS A 27 6.876 20.575 4.663 1.00 0.66 O ATOM 371 CB CYS A 27 5.018 22.196 3.076 1.00 0.68 C ATOM 372 SG CYS A 27 5.054 23.991 2.728 1.00 1.20 S ATOM 0 H CYS A 27 5.419 19.457 2.710 1.00 0.59 H new ATOM 0 HA CYS A 27 6.670 21.952 1.708 1.00 0.62 H new ATOM 0 HB2 CYS A 27 4.102 21.779 2.657 1.00 0.68 H new ATOM 0 HB3 CYS A 27 4.970 22.052 4.155 1.00 0.68 H new ATOM 377 N CYS A 28 8.414 21.739 3.529 1.00 0.65 N ATOM 378 CA CYS A 28 9.396 21.564 4.592 1.00 0.67 C ATOM 379 C CYS A 28 10.071 22.882 4.996 1.00 0.74 C ATOM 380 O CYS A 28 10.607 23.586 4.147 1.00 1.05 O ATOM 381 CB CYS A 28 10.476 20.548 4.166 1.00 0.78 C ATOM 382 SG CYS A 28 10.043 19.562 2.689 1.00 1.13 S ATOM 0 H CYS A 28 8.732 22.277 2.723 1.00 0.65 H new ATOM 0 HA CYS A 28 8.851 21.190 5.459 1.00 0.67 H new ATOM 0 HB2 CYS A 28 11.405 21.084 3.971 1.00 0.78 H new ATOM 0 HB3 CYS A 28 10.668 19.870 4.997 1.00 0.78 H new ATOM 387 N GLY A 29 10.071 23.200 6.297 1.00 0.71 N ATOM 388 CA GLY A 29 10.714 24.384 6.749 1.00 0.76 C ATOM 389 C GLY A 29 12.048 24.084 7.420 1.00 0.78 C ATOM 390 O GLY A 29 12.581 22.971 7.341 1.00 0.79 O ATOM 0 H GLY A 29 9.630 22.643 7.029 1.00 0.71 H new ATOM 0 HA2 GLY A 29 10.875 25.055 5.905 1.00 0.76 H new ATOM 0 HA3 GLY A 29 10.063 24.905 7.451 1.00 0.76 H new ATOM 394 N ASP A 30 12.586 25.100 8.046 1.00 0.84 N ATOM 395 CA ASP A 30 13.869 25.013 8.705 1.00 0.93 C ATOM 396 C ASP A 30 13.837 24.147 9.953 1.00 0.98 C ATOM 397 O ASP A 30 14.686 23.274 10.138 1.00 1.12 O ATOM 398 CB ASP A 30 14.382 26.420 9.016 1.00 1.00 C ATOM 399 CG ASP A 30 15.806 26.405 9.525 1.00 1.75 C ATOM 400 OD1 ASP A 30 16.087 25.702 10.525 1.00 2.18 O ATOM 401 OD2 ASP A 30 16.648 27.076 8.903 1.00 2.64 O ATOM 0 H ASP A 30 12.145 26.017 8.114 1.00 0.84 H new ATOM 0 HA ASP A 30 14.559 24.520 8.021 1.00 0.93 H new ATOM 0 HB2 ASP A 30 14.325 27.033 8.117 1.00 1.00 H new ATOM 0 HB3 ASP A 30 13.736 26.885 9.761 1.00 1.00 H new ATOM 406 N GLU A 31 12.883 24.442 10.812 1.00 0.94 N ATOM 407 CA GLU A 31 12.721 23.764 12.089 1.00 1.01 C ATOM 408 C GLU A 31 11.358 23.133 12.151 1.00 0.94 C ATOM 409 O GLU A 31 10.940 22.674 13.214 1.00 1.05 O ATOM 410 CB GLU A 31 12.888 24.740 13.281 1.00 1.15 C ATOM 411 CG GLU A 31 13.576 26.044 12.934 1.00 1.16 C ATOM 412 CD GLU A 31 14.140 26.757 14.160 1.00 1.51 C ATOM 413 OE1 GLU A 31 13.349 27.132 15.056 1.00 1.83 O ATOM 414 OE2 GLU A 31 15.377 26.934 14.231 1.00 2.10 O ATOM 0 H GLU A 31 12.187 25.169 10.644 1.00 0.94 H new ATOM 0 HA GLU A 31 13.496 23.002 12.165 1.00 1.01 H new ATOM 0 HB2 GLU A 31 11.904 24.962 13.693 1.00 1.15 H new ATOM 0 HB3 GLU A 31 13.457 24.241 14.066 1.00 1.15 H new ATOM 0 HG2 GLU A 31 14.384 25.847 12.229 1.00 1.16 H new ATOM 0 HG3 GLU A 31 12.867 26.701 12.431 1.00 1.16 H new ATOM 421 N LEU A 32 10.651 23.127 11.015 1.00 0.83 N ATOM 422 CA LEU A 32 9.365 22.560 10.937 1.00 0.80 C ATOM 423 C LEU A 32 9.438 21.286 10.106 1.00 0.74 C ATOM 424 O LEU A 32 8.498 20.487 10.082 1.00 0.85 O ATOM 425 CB LEU A 32 8.467 23.628 10.374 1.00 0.78 C ATOM 426 CG LEU A 32 7.700 24.406 11.453 1.00 0.88 C ATOM 427 CD1 LEU A 32 7.195 25.714 10.903 1.00 0.98 C ATOM 428 CD2 LEU A 32 6.577 23.578 12.077 1.00 1.00 C ATOM 0 H LEU A 32 10.986 23.526 10.138 1.00 0.83 H new ATOM 0 HA LEU A 32 8.959 22.252 11.900 1.00 0.80 H new ATOM 0 HB2 LEU A 32 9.066 24.326 9.789 1.00 0.78 H new ATOM 0 HB3 LEU A 32 7.753 23.170 9.690 1.00 0.78 H new ATOM 0 HG LEU A 32 8.398 24.626 12.260 1.00 0.88 H new ATOM 0 HD11 LEU A 32 6.654 26.252 11.682 1.00 0.98 H new ATOM 0 HD12 LEU A 32 8.038 26.316 10.565 1.00 0.98 H new ATOM 0 HD13 LEU A 32 6.527 25.522 10.064 1.00 0.98 H new ATOM 0 HD21 LEU A 32 6.065 24.172 12.834 1.00 1.00 H new ATOM 0 HD22 LEU A 32 5.867 23.286 11.303 1.00 1.00 H new ATOM 0 HD23 LEU A 32 6.997 22.685 12.540 1.00 1.00 H new ATOM 440 N GLY A 33 10.600 21.081 9.468 1.00 0.69 N ATOM 441 CA GLY A 33 10.812 19.883 8.717 1.00 0.68 C ATOM 442 C GLY A 33 9.913 19.777 7.519 1.00 0.63 C ATOM 443 O GLY A 33 9.758 20.750 6.800 1.00 0.70 O ATOM 0 H GLY A 33 11.384 21.733 9.470 1.00 0.69 H new ATOM 0 HA2 GLY A 33 11.851 19.845 8.390 1.00 0.68 H new ATOM 0 HA3 GLY A 33 10.650 19.021 9.364 1.00 0.68 H new ATOM 447 N CYS A 34 9.326 18.597 7.277 1.00 0.60 N ATOM 448 CA CYS A 34 8.462 18.427 6.103 1.00 0.58 C ATOM 449 C CYS A 34 7.179 17.693 6.378 1.00 0.57 C ATOM 450 O CYS A 34 7.177 16.554 6.833 1.00 0.60 O ATOM 451 CB CYS A 34 9.192 17.726 4.970 1.00 0.65 C ATOM 452 SG CYS A 34 8.626 18.249 3.323 1.00 0.94 S ATOM 0 H CYS A 34 9.429 17.767 7.861 1.00 0.60 H new ATOM 0 HA CYS A 34 8.199 19.444 5.814 1.00 0.58 H new ATOM 0 HB2 CYS A 34 10.261 17.921 5.059 1.00 0.65 H new ATOM 0 HB3 CYS A 34 9.055 16.649 5.069 1.00 0.65 H new ATOM 457 N PHE A 35 6.082 18.348 6.005 1.00 0.58 N ATOM 458 CA PHE A 35 4.780 17.760 6.117 1.00 0.59 C ATOM 459 C PHE A 35 4.472 17.252 4.736 1.00 0.53 C ATOM 460 O PHE A 35 4.110 18.038 3.860 1.00 0.50 O ATOM 461 CB PHE A 35 3.775 18.850 6.514 1.00 0.62 C ATOM 462 CG PHE A 35 4.168 19.610 7.742 1.00 0.73 C ATOM 463 CD1 PHE A 35 5.277 20.442 7.735 1.00 1.40 C ATOM 464 CD2 PHE A 35 3.435 19.485 8.905 1.00 1.54 C ATOM 465 CE1 PHE A 35 5.648 21.131 8.872 1.00 1.66 C ATOM 466 CE2 PHE A 35 3.796 20.172 10.044 1.00 1.84 C ATOM 467 CZ PHE A 35 4.906 20.995 10.030 1.00 1.54 C ATOM 0 H PHE A 35 6.086 19.293 5.621 1.00 0.58 H new ATOM 0 HA PHE A 35 4.730 16.968 6.864 1.00 0.59 H new ATOM 0 HB2 PHE A 35 3.663 19.549 5.685 1.00 0.62 H new ATOM 0 HB3 PHE A 35 2.800 18.391 6.678 1.00 0.62 H new ATOM 0 HD1 PHE A 35 5.857 20.552 6.830 1.00 1.40 H new ATOM 0 HD2 PHE A 35 2.568 18.841 8.923 1.00 1.54 H new ATOM 0 HE1 PHE A 35 6.515 21.774 8.857 1.00 1.66 H new ATOM 0 HE2 PHE A 35 3.212 20.067 10.946 1.00 1.84 H new ATOM 0 HZ PHE A 35 5.193 21.531 10.923 1.00 1.54 H new ATOM 477 N VAL A 36 4.633 15.954 4.527 1.00 0.56 N ATOM 478 CA VAL A 36 4.392 15.418 3.223 1.00 0.54 C ATOM 479 C VAL A 36 2.936 15.063 3.056 1.00 0.54 C ATOM 480 O VAL A 36 2.456 13.985 3.440 1.00 0.58 O ATOM 481 CB VAL A 36 5.322 14.235 2.862 1.00 0.57 C ATOM 482 CG1 VAL A 36 5.268 14.008 1.347 1.00 0.58 C ATOM 483 CG2 VAL A 36 6.762 14.522 3.335 1.00 0.59 C ATOM 0 H VAL A 36 4.923 15.277 5.233 1.00 0.56 H new ATOM 0 HA VAL A 36 4.639 16.204 2.509 1.00 0.54 H new ATOM 0 HB VAL A 36 4.987 13.330 3.368 1.00 0.57 H new ATOM 0 HG11 VAL A 36 5.920 13.176 1.080 1.00 0.58 H new ATOM 0 HG12 VAL A 36 4.245 13.777 1.050 1.00 0.58 H new ATOM 0 HG13 VAL A 36 5.601 14.909 0.832 1.00 0.58 H new ATOM 0 HG21 VAL A 36 7.405 13.681 3.074 1.00 0.59 H new ATOM 0 HG22 VAL A 36 7.131 15.425 2.850 1.00 0.59 H new ATOM 0 HG23 VAL A 36 6.769 14.662 4.416 1.00 0.59 H new ATOM 493 N GLY A 37 2.246 16.045 2.489 1.00 0.55 N ATOM 494 CA GLY A 37 0.827 15.945 2.217 1.00 0.60 C ATOM 495 C GLY A 37 -0.001 16.132 3.453 1.00 0.68 C ATOM 496 O GLY A 37 -0.398 15.163 4.100 1.00 1.32 O ATOM 0 H GLY A 37 2.660 16.933 2.206 1.00 0.55 H new ATOM 0 HA2 GLY A 37 0.547 16.695 1.477 1.00 0.60 H new ATOM 0 HA3 GLY A 37 0.610 14.970 1.781 1.00 0.60 H new ATOM 500 N THR A 38 -0.251 17.386 3.793 1.00 0.73 N ATOM 501 CA THR A 38 -1.016 17.699 4.973 1.00 0.76 C ATOM 502 C THR A 38 -1.782 19.000 4.801 1.00 0.80 C ATOM 503 O THR A 38 -1.547 19.754 3.855 1.00 0.86 O ATOM 504 CB THR A 38 -0.069 17.802 6.162 1.00 0.83 C ATOM 505 OG1 THR A 38 0.680 19.002 6.092 1.00 1.48 O ATOM 506 CG2 THR A 38 0.914 16.652 6.238 1.00 1.07 C ATOM 0 H THR A 38 0.068 18.198 3.264 1.00 0.73 H new ATOM 0 HA THR A 38 -1.744 16.906 5.143 1.00 0.76 H new ATOM 0 HB THR A 38 -0.702 17.779 7.049 1.00 0.83 H new ATOM 0 HG1 THR A 38 1.300 18.957 5.334 1.00 1.48 H new ATOM 0 HG21 THR A 38 1.561 16.783 7.106 1.00 1.07 H new ATOM 0 HG22 THR A 38 0.369 15.713 6.330 1.00 1.07 H new ATOM 0 HG23 THR A 38 1.521 16.632 5.333 1.00 1.07 H new ATOM 514 N ALA A 39 -2.687 19.265 5.731 1.00 0.92 N ATOM 515 CA ALA A 39 -3.477 20.487 5.694 1.00 1.06 C ATOM 516 C ALA A 39 -2.571 21.717 5.633 1.00 0.99 C ATOM 517 O ALA A 39 -2.958 22.762 5.113 1.00 1.10 O ATOM 518 CB ALA A 39 -4.389 20.549 6.913 1.00 1.28 C ATOM 0 H ALA A 39 -2.893 18.652 6.520 1.00 0.92 H new ATOM 0 HA ALA A 39 -4.092 20.480 4.794 1.00 1.06 H new ATOM 0 HB1 ALA A 39 -4.978 21.466 6.880 1.00 1.28 H new ATOM 0 HB2 ALA A 39 -5.057 19.688 6.912 1.00 1.28 H new ATOM 0 HB3 ALA A 39 -3.785 20.538 7.820 1.00 1.28 H new ATOM 524 N GLU A 40 -1.365 21.579 6.179 1.00 0.91 N ATOM 525 CA GLU A 40 -0.394 22.672 6.213 1.00 0.93 C ATOM 526 C GLU A 40 0.232 22.948 4.843 1.00 0.86 C ATOM 527 O GLU A 40 0.620 24.079 4.548 1.00 0.99 O ATOM 528 CB GLU A 40 0.708 22.349 7.222 1.00 0.99 C ATOM 529 CG GLU A 40 0.275 22.527 8.669 1.00 1.41 C ATOM 530 CD GLU A 40 -0.296 21.257 9.268 1.00 1.95 C ATOM 531 OE1 GLU A 40 -0.707 20.367 8.493 1.00 2.54 O ATOM 532 OE2 GLU A 40 -0.334 21.152 10.512 1.00 2.56 O ATOM 0 H GLU A 40 -1.034 20.714 6.607 1.00 0.91 H new ATOM 0 HA GLU A 40 -0.932 23.572 6.511 1.00 0.93 H new ATOM 0 HB2 GLU A 40 1.036 21.320 7.073 1.00 0.99 H new ATOM 0 HB3 GLU A 40 1.568 22.990 7.027 1.00 0.99 H new ATOM 0 HG2 GLU A 40 1.130 22.852 9.263 1.00 1.41 H new ATOM 0 HG3 GLU A 40 -0.472 23.319 8.726 1.00 1.41 H new ATOM 539 N ALA A 41 0.330 21.917 4.013 1.00 0.76 N ATOM 540 CA ALA A 41 0.906 22.048 2.689 1.00 0.78 C ATOM 541 C ALA A 41 -0.188 22.215 1.651 1.00 0.87 C ATOM 542 O ALA A 41 0.091 22.370 0.466 1.00 0.95 O ATOM 543 CB ALA A 41 1.765 20.831 2.374 1.00 0.85 C ATOM 0 H ALA A 41 0.014 20.974 4.240 1.00 0.76 H new ATOM 0 HA ALA A 41 1.537 22.936 2.664 1.00 0.78 H new ATOM 0 HB1 ALA A 41 2.194 20.937 1.378 1.00 0.85 H new ATOM 0 HB2 ALA A 41 2.567 20.752 3.108 1.00 0.85 H new ATOM 0 HB3 ALA A 41 1.150 19.932 2.410 1.00 0.85 H new ATOM 549 N LEU A 42 -1.442 22.186 2.102 1.00 0.96 N ATOM 550 CA LEU A 42 -2.569 22.341 1.205 1.00 1.14 C ATOM 551 C LEU A 42 -2.468 23.658 0.454 1.00 1.15 C ATOM 552 O LEU A 42 -2.870 23.758 -0.704 1.00 1.24 O ATOM 553 CB LEU A 42 -3.878 22.274 1.989 1.00 1.33 C ATOM 554 CG LEU A 42 -4.702 21.015 1.741 1.00 1.54 C ATOM 555 CD1 LEU A 42 -5.800 20.876 2.785 1.00 1.96 C ATOM 556 CD2 LEU A 42 -5.293 21.037 0.340 1.00 1.99 C ATOM 0 H LEU A 42 -1.695 22.057 3.082 1.00 0.96 H new ATOM 0 HA LEU A 42 -2.555 21.527 0.480 1.00 1.14 H new ATOM 0 HB2 LEU A 42 -3.653 22.341 3.053 1.00 1.33 H new ATOM 0 HB3 LEU A 42 -4.483 23.144 1.736 1.00 1.33 H new ATOM 0 HG LEU A 42 -4.044 20.150 1.825 1.00 1.54 H new ATOM 0 HD11 LEU A 42 -6.376 19.971 2.589 1.00 1.96 H new ATOM 0 HD12 LEU A 42 -5.353 20.814 3.777 1.00 1.96 H new ATOM 0 HD13 LEU A 42 -6.459 21.743 2.737 1.00 1.96 H new ATOM 0 HD21 LEU A 42 -5.878 20.132 0.178 1.00 1.99 H new ATOM 0 HD22 LEU A 42 -5.936 21.910 0.230 1.00 1.99 H new ATOM 0 HD23 LEU A 42 -4.488 21.085 -0.394 1.00 1.99 H new ATOM 568 N ARG A 43 -1.910 24.661 1.117 1.00 1.14 N ATOM 569 CA ARG A 43 -1.735 25.964 0.505 1.00 1.22 C ATOM 570 C ARG A 43 -0.634 25.919 -0.544 1.00 1.15 C ATOM 571 O ARG A 43 -0.447 26.877 -1.289 1.00 1.28 O ATOM 572 CB ARG A 43 -1.409 27.017 1.562 1.00 1.31 C ATOM 573 CG ARG A 43 -0.115 26.748 2.315 1.00 1.53 C ATOM 574 CD ARG A 43 -0.222 27.168 3.773 1.00 2.42 C ATOM 575 NE ARG A 43 -0.116 28.618 3.934 1.00 2.68 N ATOM 576 CZ ARG A 43 -1.160 29.434 4.080 1.00 3.21 C ATOM 577 NH1 ARG A 43 -2.399 28.956 4.083 1.00 3.67 N ATOM 578 NH2 ARG A 43 -0.962 30.738 4.220 1.00 3.75 N ATOM 0 H ARG A 43 -1.572 24.595 2.077 1.00 1.14 H new ATOM 0 HA ARG A 43 -2.671 26.238 0.018 1.00 1.22 H new ATOM 0 HB2 ARG A 43 -1.343 27.993 1.081 1.00 1.31 H new ATOM 0 HB3 ARG A 43 -2.231 27.068 2.276 1.00 1.31 H new ATOM 0 HG2 ARG A 43 0.127 25.687 2.258 1.00 1.53 H new ATOM 0 HG3 ARG A 43 0.704 27.288 1.839 1.00 1.53 H new ATOM 0 HD2 ARG A 43 -1.174 26.827 4.180 1.00 2.42 H new ATOM 0 HD3 ARG A 43 0.564 26.681 4.349 1.00 2.42 H new ATOM 0 HE ARG A 43 0.817 29.031 3.935 1.00 2.68 H new ATOM 0 HH11 ARG A 43 -2.560 27.955 3.973 1.00 3.67 H new ATOM 0 HH12 ARG A 43 -3.190 29.590 4.196 1.00 3.67 H new ATOM 0 HH21 ARG A 43 -0.014 31.113 4.216 1.00 3.75 H new ATOM 0 HH22 ARG A 43 -1.758 31.366 4.332 1.00 3.75 H new ATOM 592 N CYS A 44 0.102 24.806 -0.609 1.00 1.00 N ATOM 593 CA CYS A 44 1.174 24.690 -1.596 1.00 1.00 C ATOM 594 C CYS A 44 0.616 24.588 -3.016 1.00 1.15 C ATOM 595 O CYS A 44 1.362 24.679 -3.991 1.00 1.32 O ATOM 596 CB CYS A 44 2.058 23.477 -1.312 1.00 0.96 C ATOM 597 SG CYS A 44 3.068 23.619 0.194 1.00 1.23 S ATOM 0 H CYS A 44 -0.021 23.993 -0.006 1.00 1.00 H new ATOM 0 HA CYS A 44 1.776 25.595 -1.518 1.00 1.00 H new ATOM 0 HB2 CYS A 44 1.425 22.593 -1.228 1.00 0.96 H new ATOM 0 HB3 CYS A 44 2.719 23.317 -2.164 1.00 0.96 H new ATOM 602 N GLN A 45 -0.697 24.408 -3.132 1.00 1.17 N ATOM 603 CA GLN A 45 -1.341 24.307 -4.436 1.00 1.36 C ATOM 604 C GLN A 45 -1.012 25.526 -5.305 1.00 1.57 C ATOM 605 O GLN A 45 -1.025 25.453 -6.538 1.00 1.83 O ATOM 606 CB GLN A 45 -2.860 24.182 -4.264 1.00 1.41 C ATOM 607 CG GLN A 45 -3.521 23.301 -5.310 1.00 1.77 C ATOM 608 CD GLN A 45 -4.850 22.734 -4.846 1.00 2.05 C ATOM 609 OE1 GLN A 45 -5.803 23.474 -4.600 1.00 2.35 O ATOM 610 NE2 GLN A 45 -4.921 21.412 -4.724 1.00 2.80 N ATOM 0 H GLN A 45 -1.334 24.329 -2.339 1.00 1.17 H new ATOM 0 HA GLN A 45 -0.961 23.416 -4.936 1.00 1.36 H new ATOM 0 HB2 GLN A 45 -3.073 23.778 -3.274 1.00 1.41 H new ATOM 0 HB3 GLN A 45 -3.305 25.176 -4.305 1.00 1.41 H new ATOM 0 HG2 GLN A 45 -3.676 23.880 -6.221 1.00 1.77 H new ATOM 0 HG3 GLN A 45 -2.850 22.481 -5.564 1.00 1.77 H new ATOM 0 HE21 GLN A 45 -4.107 20.836 -4.938 1.00 2.80 H new ATOM 0 HE22 GLN A 45 -5.789 20.974 -4.416 1.00 2.80 H new ATOM 619 N GLU A 46 -0.686 26.640 -4.656 1.00 1.52 N ATOM 620 CA GLU A 46 -0.347 27.860 -5.375 1.00 1.76 C ATOM 621 C GLU A 46 1.126 27.866 -5.744 1.00 1.68 C ATOM 622 O GLU A 46 1.625 28.849 -6.295 1.00 1.90 O ATOM 623 CB GLU A 46 -0.636 29.099 -4.528 1.00 1.87 C ATOM 624 CG GLU A 46 -2.055 29.631 -4.639 1.00 2.42 C ATOM 625 CD GLU A 46 -2.424 30.517 -3.460 1.00 2.97 C ATOM 626 OE1 GLU A 46 -2.882 29.975 -2.432 1.00 3.55 O ATOM 627 OE2 GLU A 46 -2.243 31.749 -3.563 1.00 3.41 O ATOM 0 H GLU A 46 -0.650 26.722 -3.640 1.00 1.52 H new ATOM 0 HA GLU A 46 -0.960 27.886 -6.276 1.00 1.76 H new ATOM 0 HB2 GLU A 46 -0.432 28.863 -3.484 1.00 1.87 H new ATOM 0 HB3 GLU A 46 0.057 29.889 -4.817 1.00 1.87 H new ATOM 0 HG2 GLU A 46 -2.159 30.197 -5.565 1.00 2.42 H new ATOM 0 HG3 GLU A 46 -2.752 28.795 -4.697 1.00 2.42 H new ATOM 634 N GLU A 47 1.820 26.762 -5.462 1.00 1.45 N ATOM 635 CA GLU A 47 3.221 26.682 -5.799 1.00 1.50 C ATOM 636 C GLU A 47 3.351 26.343 -7.276 1.00 1.89 C ATOM 637 O GLU A 47 4.443 26.405 -7.844 1.00 2.06 O ATOM 638 CB GLU A 47 3.911 25.602 -4.971 1.00 1.37 C ATOM 639 CG GLU A 47 5.412 25.798 -4.845 1.00 1.61 C ATOM 640 CD GLU A 47 6.197 24.553 -5.215 1.00 2.14 C ATOM 641 OE1 GLU A 47 6.071 23.536 -4.501 1.00 2.63 O ATOM 642 OE2 GLU A 47 6.943 24.598 -6.216 1.00 2.79 O ATOM 0 H GLU A 47 1.435 25.933 -5.010 1.00 1.45 H new ATOM 0 HA GLU A 47 3.695 27.640 -5.586 1.00 1.50 H new ATOM 0 HB2 GLU A 47 3.471 25.583 -3.974 1.00 1.37 H new ATOM 0 HB3 GLU A 47 3.717 24.630 -5.423 1.00 1.37 H new ATOM 0 HG2 GLU A 47 5.722 26.622 -5.487 1.00 1.61 H new ATOM 0 HG3 GLU A 47 5.653 26.084 -3.821 1.00 1.61 H new ATOM 649 N ASN A 48 2.217 26.030 -7.910 1.00 2.10 N ATOM 650 CA ASN A 48 2.214 25.750 -9.329 1.00 2.55 C ATOM 651 C ASN A 48 2.402 27.057 -10.094 1.00 2.83 C ATOM 652 O ASN A 48 2.954 27.074 -11.190 1.00 3.19 O ATOM 653 CB ASN A 48 0.910 25.066 -9.739 1.00 2.71 C ATOM 654 CG ASN A 48 1.116 23.646 -10.230 1.00 2.95 C ATOM 655 OD1 ASN A 48 2.009 23.368 -11.033 1.00 3.23 O ATOM 656 ND2 ASN A 48 0.286 22.732 -9.741 1.00 3.48 N ATOM 0 H ASN A 48 1.304 25.967 -7.460 1.00 2.10 H new ATOM 0 HA ASN A 48 3.033 25.072 -9.567 1.00 2.55 H new ATOM 0 HB2 ASN A 48 0.228 25.055 -8.888 1.00 2.71 H new ATOM 0 HB3 ASN A 48 0.431 25.650 -10.524 1.00 2.71 H new ATOM 0 HD21 ASN A 48 0.374 21.757 -10.028 1.00 3.48 H new ATOM 0 HD22 ASN A 48 -0.440 23.005 -9.078 1.00 3.48 H new ATOM 663 N TYR A 49 1.946 28.162 -9.488 1.00 2.74 N ATOM 664 CA TYR A 49 2.073 29.485 -10.096 1.00 3.10 C ATOM 665 C TYR A 49 3.451 30.103 -9.814 1.00 3.27 C ATOM 666 O TYR A 49 3.700 31.257 -10.164 1.00 3.64 O ATOM 667 CB TYR A 49 0.980 30.407 -9.543 1.00 3.16 C ATOM 668 CG TYR A 49 -0.084 30.763 -10.550 1.00 3.64 C ATOM 669 CD1 TYR A 49 -0.708 29.782 -11.307 1.00 4.34 C ATOM 670 CD2 TYR A 49 -0.454 32.086 -10.752 1.00 3.90 C ATOM 671 CE1 TYR A 49 -1.677 30.110 -12.234 1.00 5.08 C ATOM 672 CE2 TYR A 49 -1.423 32.422 -11.675 1.00 4.67 C ATOM 673 CZ TYR A 49 -2.029 31.432 -12.417 1.00 5.17 C ATOM 674 OH TYR A 49 -2.994 31.762 -13.336 1.00 6.08 O ATOM 0 H TYR A 49 1.487 28.161 -8.577 1.00 2.74 H new ATOM 0 HA TYR A 49 1.964 29.374 -11.175 1.00 3.10 H new ATOM 0 HB2 TYR A 49 0.509 29.924 -8.687 1.00 3.16 H new ATOM 0 HB3 TYR A 49 1.442 31.324 -9.177 1.00 3.16 H new ATOM 0 HD1 TYR A 49 -0.432 28.747 -11.169 1.00 4.34 H new ATOM 0 HD2 TYR A 49 0.025 32.865 -10.177 1.00 3.90 H new ATOM 0 HE1 TYR A 49 -2.158 29.336 -12.813 1.00 5.08 H new ATOM 0 HE2 TYR A 49 -1.705 33.455 -11.815 1.00 4.67 H new ATOM 0 HH TYR A 49 -3.123 32.733 -13.340 1.00 6.08 H new ATOM 684 N LEU A 50 4.346 29.331 -9.197 1.00 3.13 N ATOM 685 CA LEU A 50 5.689 29.812 -8.880 1.00 3.38 C ATOM 686 C LEU A 50 6.719 28.749 -9.252 1.00 3.65 C ATOM 687 O LEU A 50 6.962 27.815 -8.484 1.00 3.49 O ATOM 688 CB LEU A 50 5.812 30.161 -7.389 1.00 3.08 C ATOM 689 CG LEU A 50 5.067 31.432 -6.957 1.00 3.05 C ATOM 690 CD1 LEU A 50 3.730 31.076 -6.324 1.00 3.04 C ATOM 691 CD2 LEU A 50 5.907 32.266 -5.993 1.00 3.50 C ATOM 0 H LEU A 50 4.164 28.370 -8.907 1.00 3.13 H new ATOM 0 HA LEU A 50 5.875 30.717 -9.458 1.00 3.38 H new ATOM 0 HB2 LEU A 50 5.438 29.322 -6.803 1.00 3.08 H new ATOM 0 HB3 LEU A 50 6.868 30.276 -7.144 1.00 3.08 H new ATOM 0 HG LEU A 50 4.885 32.032 -7.849 1.00 3.05 H new ATOM 0 HD11 LEU A 50 3.215 31.989 -6.024 1.00 3.04 H new ATOM 0 HD12 LEU A 50 3.118 30.535 -7.046 1.00 3.04 H new ATOM 0 HD13 LEU A 50 3.898 30.449 -5.448 1.00 3.04 H new ATOM 0 HD21 LEU A 50 5.352 33.159 -5.706 1.00 3.50 H new ATOM 0 HD22 LEU A 50 6.132 31.677 -5.104 1.00 3.50 H new ATOM 0 HD23 LEU A 50 6.837 32.558 -6.480 1.00 3.50 H new ATOM 703 N PRO A 51 7.333 28.876 -10.444 1.00 4.23 N ATOM 704 CA PRO A 51 8.332 27.926 -10.931 1.00 4.64 C ATOM 705 C PRO A 51 9.739 28.231 -10.430 1.00 4.74 C ATOM 706 O PRO A 51 10.726 27.923 -11.098 1.00 5.27 O ATOM 707 CB PRO A 51 8.257 28.116 -12.442 1.00 5.26 C ATOM 708 CG PRO A 51 7.925 29.558 -12.618 1.00 5.28 C ATOM 709 CD PRO A 51 7.089 29.954 -11.423 1.00 4.67 C ATOM 0 HA PRO A 51 8.133 26.911 -10.588 1.00 4.64 H new ATOM 0 HB2 PRO A 51 9.203 27.865 -12.922 1.00 5.26 H new ATOM 0 HB3 PRO A 51 7.495 27.476 -12.886 1.00 5.26 H new ATOM 0 HG2 PRO A 51 8.831 30.161 -12.674 1.00 5.28 H new ATOM 0 HG3 PRO A 51 7.377 29.719 -13.546 1.00 5.28 H new ATOM 0 HD2 PRO A 51 7.389 30.925 -11.030 1.00 4.67 H new ATOM 0 HD3 PRO A 51 6.033 30.027 -11.681 1.00 4.67 H new ATOM 717 N SER A 52 9.826 28.836 -9.252 1.00 4.35 N ATOM 718 CA SER A 52 11.111 29.177 -8.663 1.00 4.53 C ATOM 719 C SER A 52 11.146 28.791 -7.190 1.00 3.93 C ATOM 720 O SER A 52 10.372 29.314 -6.387 1.00 3.89 O ATOM 721 CB SER A 52 11.383 30.671 -8.810 1.00 5.06 C ATOM 722 OG SER A 52 10.642 31.419 -7.861 1.00 5.56 O ATOM 0 H SER A 52 9.019 29.100 -8.686 1.00 4.35 H new ATOM 0 HA SER A 52 11.885 28.620 -9.191 1.00 4.53 H new ATOM 0 HB2 SER A 52 12.448 30.865 -8.680 1.00 5.06 H new ATOM 0 HB3 SER A 52 11.121 30.994 -9.817 1.00 5.06 H new ATOM 0 HG SER A 52 10.090 30.812 -7.325 1.00 5.56 H new ATOM 728 N PRO A 53 12.049 27.879 -6.804 1.00 3.81 N ATOM 729 CA PRO A 53 12.169 27.457 -5.417 1.00 3.56 C ATOM 730 C PRO A 53 12.749 28.567 -4.559 1.00 3.10 C ATOM 731 O PRO A 53 12.841 29.716 -4.989 1.00 3.33 O ATOM 732 CB PRO A 53 13.134 26.272 -5.480 1.00 4.15 C ATOM 733 CG PRO A 53 13.950 26.524 -6.696 1.00 4.53 C ATOM 734 CD PRO A 53 13.029 27.203 -7.673 1.00 4.37 C ATOM 0 HA PRO A 53 11.207 27.202 -4.973 1.00 3.56 H new ATOM 0 HB2 PRO A 53 13.757 26.219 -4.587 1.00 4.15 H new ATOM 0 HB3 PRO A 53 12.597 25.326 -5.551 1.00 4.15 H new ATOM 0 HG2 PRO A 53 14.810 27.153 -6.467 1.00 4.53 H new ATOM 0 HG3 PRO A 53 14.338 25.592 -7.107 1.00 4.53 H new ATOM 0 HD2 PRO A 53 13.564 27.913 -8.303 1.00 4.37 H new ATOM 0 HD3 PRO A 53 12.549 26.485 -8.338 1.00 4.37 H new ATOM 742 N CYS A 54 13.150 28.216 -3.354 1.00 2.92 N ATOM 743 CA CYS A 54 13.737 29.170 -2.428 1.00 2.61 C ATOM 744 C CYS A 54 15.077 28.632 -1.956 1.00 2.48 C ATOM 745 O CYS A 54 15.095 27.873 -0.987 1.00 2.69 O ATOM 746 CB CYS A 54 12.796 29.345 -1.223 1.00 2.77 C ATOM 747 SG CYS A 54 12.973 30.935 -0.353 1.00 2.70 S ATOM 0 H CYS A 54 13.080 27.267 -2.988 1.00 2.92 H new ATOM 0 HA CYS A 54 13.880 30.133 -2.918 1.00 2.61 H new ATOM 0 HB2 CYS A 54 11.766 29.245 -1.565 1.00 2.77 H new ATOM 0 HB3 CYS A 54 12.977 28.536 -0.516 1.00 2.77 H new ATOM 752 N GLN A 55 16.215 28.975 -2.611 1.00 2.44 N ATOM 753 CA GLN A 55 17.471 28.402 -2.135 1.00 2.66 C ATOM 754 C GLN A 55 17.373 26.857 -2.070 1.00 2.47 C ATOM 755 O GLN A 55 17.538 26.179 -3.086 1.00 3.01 O ATOM 756 CB GLN A 55 17.804 28.975 -0.758 1.00 3.17 C ATOM 757 CG GLN A 55 19.227 28.705 -0.320 1.00 3.67 C ATOM 758 CD GLN A 55 19.413 28.876 1.170 1.00 4.28 C ATOM 759 OE1 GLN A 55 18.757 28.213 1.977 1.00 4.69 O ATOM 760 NE2 GLN A 55 20.308 29.780 1.541 1.00 4.75 N ATOM 0 H GLN A 55 16.279 29.602 -3.413 1.00 2.44 H new ATOM 0 HA GLN A 55 18.268 28.662 -2.832 1.00 2.66 H new ATOM 0 HB2 GLN A 55 17.634 30.052 -0.770 1.00 3.17 H new ATOM 0 HB3 GLN A 55 17.119 28.553 -0.022 1.00 3.17 H new ATOM 0 HG2 GLN A 55 19.505 27.690 -0.604 1.00 3.67 H new ATOM 0 HG3 GLN A 55 19.901 29.380 -0.847 1.00 3.67 H new ATOM 0 HE21 GLN A 55 20.826 30.304 0.836 1.00 4.75 H new ATOM 0 HE22 GLN A 55 20.479 29.952 2.532 1.00 4.75 H new ATOM 769 N SER A 56 17.097 26.316 -0.865 1.00 2.24 N ATOM 770 CA SER A 56 16.953 24.869 -0.633 1.00 2.29 C ATOM 771 C SER A 56 18.277 24.255 -0.211 1.00 2.07 C ATOM 772 O SER A 56 19.329 24.634 -0.719 1.00 2.50 O ATOM 773 CB SER A 56 16.392 24.153 -1.866 1.00 3.27 C ATOM 774 OG SER A 56 15.724 22.960 -1.493 1.00 3.86 O ATOM 0 H SER A 56 16.968 26.877 -0.023 1.00 2.24 H new ATOM 0 HA SER A 56 16.238 24.737 0.179 1.00 2.29 H new ATOM 0 HB2 SER A 56 15.702 24.812 -2.393 1.00 3.27 H new ATOM 0 HB3 SER A 56 17.202 23.921 -2.558 1.00 3.27 H new ATOM 0 HG SER A 56 14.877 23.183 -1.054 1.00 3.86 H new ATOM 780 N GLY A 57 18.226 23.297 0.711 1.00 2.12 N ATOM 781 CA GLY A 57 19.428 22.671 1.165 1.00 2.39 C ATOM 782 C GLY A 57 20.067 21.885 0.064 1.00 2.33 C ATOM 783 O GLY A 57 19.476 20.954 -0.481 1.00 2.88 O ATOM 0 H GLY A 57 17.369 22.952 1.143 1.00 2.12 H new ATOM 0 HA2 GLY A 57 20.123 23.428 1.528 1.00 2.39 H new ATOM 0 HA3 GLY A 57 19.206 22.014 2.005 1.00 2.39 H new ATOM 787 N GLN A 58 21.280 22.262 -0.245 1.00 2.09 N ATOM 788 CA GLN A 58 22.055 21.603 -1.278 1.00 2.38 C ATOM 789 C GLN A 58 22.628 20.338 -0.691 1.00 2.28 C ATOM 790 O GLN A 58 23.804 20.259 -0.345 1.00 2.92 O ATOM 791 CB GLN A 58 23.187 22.513 -1.786 1.00 3.24 C ATOM 792 CG GLN A 58 23.186 22.750 -3.300 1.00 3.89 C ATOM 793 CD GLN A 58 22.956 24.206 -3.667 1.00 4.75 C ATOM 794 OE1 GLN A 58 21.854 24.593 -4.059 1.00 5.45 O ATOM 795 NE2 GLN A 58 24.002 25.019 -3.552 1.00 5.07 N ATOM 0 H GLN A 58 21.764 23.036 0.210 1.00 2.09 H new ATOM 0 HA GLN A 58 21.414 21.375 -2.129 1.00 2.38 H new ATOM 0 HB2 GLN A 58 23.115 23.476 -1.281 1.00 3.24 H new ATOM 0 HB3 GLN A 58 24.143 22.074 -1.501 1.00 3.24 H new ATOM 0 HG2 GLN A 58 24.139 22.421 -3.715 1.00 3.89 H new ATOM 0 HG3 GLN A 58 22.410 22.137 -3.759 1.00 3.89 H new ATOM 0 HE21 GLN A 58 24.897 24.656 -3.223 1.00 5.07 H new ATOM 0 HE22 GLN A 58 23.910 26.006 -3.793 1.00 5.07 H new ATOM 804 N LYS A 59 21.784 19.347 -0.589 1.00 2.01 N ATOM 805 CA LYS A 59 22.198 18.074 -0.032 1.00 2.43 C ATOM 806 C LYS A 59 21.452 16.976 -0.726 1.00 2.18 C ATOM 807 O LYS A 59 20.739 16.195 -0.096 1.00 2.12 O ATOM 808 CB LYS A 59 21.900 17.993 1.466 1.00 3.07 C ATOM 809 CG LYS A 59 23.013 18.516 2.341 1.00 3.86 C ATOM 810 CD LYS A 59 22.585 19.766 3.080 1.00 4.62 C ATOM 811 CE LYS A 59 23.744 20.724 3.282 1.00 5.31 C ATOM 812 NZ LYS A 59 25.037 20.022 3.504 1.00 6.09 N ATOM 0 H LYS A 59 20.808 19.389 -0.881 1.00 2.01 H new ATOM 0 HA LYS A 59 23.274 17.973 -0.177 1.00 2.43 H new ATOM 0 HB2 LYS A 59 20.991 18.556 1.676 1.00 3.07 H new ATOM 0 HB3 LYS A 59 21.700 16.955 1.731 1.00 3.07 H new ATOM 0 HG2 LYS A 59 23.307 17.749 3.058 1.00 3.86 H new ATOM 0 HG3 LYS A 59 23.889 18.733 1.729 1.00 3.86 H new ATOM 0 HD2 LYS A 59 21.793 20.266 2.522 1.00 4.62 H new ATOM 0 HD3 LYS A 59 22.167 19.491 4.049 1.00 4.62 H new ATOM 0 HE2 LYS A 59 23.832 21.371 2.409 1.00 5.31 H new ATOM 0 HE3 LYS A 59 23.533 21.368 4.136 1.00 5.31 H new ATOM 0 HZ1 LYS A 59 25.693 20.653 4.007 1.00 6.09 H new ATOM 0 HZ2 LYS A 59 24.874 19.167 4.073 1.00 6.09 H new ATOM 0 HZ3 LYS A 59 25.449 19.755 2.587 1.00 6.09 H new ATOM 826 N PRO A 60 21.609 16.915 -2.056 1.00 2.13 N ATOM 827 CA PRO A 60 20.968 15.899 -2.874 1.00 2.05 C ATOM 828 C PRO A 60 21.470 14.496 -2.550 1.00 2.19 C ATOM 829 O PRO A 60 22.388 13.984 -3.195 1.00 2.54 O ATOM 830 CB PRO A 60 21.376 16.267 -4.309 1.00 2.21 C ATOM 831 CG PRO A 60 22.622 17.071 -4.145 1.00 2.34 C ATOM 832 CD PRO A 60 22.419 17.839 -2.873 1.00 2.27 C ATOM 0 HA PRO A 60 19.891 15.880 -2.709 1.00 2.05 H new ATOM 0 HB2 PRO A 60 21.554 15.377 -4.912 1.00 2.21 H new ATOM 0 HB3 PRO A 60 20.596 16.841 -4.809 1.00 2.21 H new ATOM 0 HG2 PRO A 60 23.501 16.430 -4.084 1.00 2.34 H new ATOM 0 HG3 PRO A 60 22.775 17.741 -4.991 1.00 2.34 H new ATOM 0 HD2 PRO A 60 23.366 18.080 -2.391 1.00 2.27 H new ATOM 0 HD3 PRO A 60 21.902 18.782 -3.049 1.00 2.27 H new ATOM 840 N CYS A 61 20.861 13.889 -1.549 1.00 2.05 N ATOM 841 CA CYS A 61 21.206 12.537 -1.111 1.00 2.18 C ATOM 842 C CYS A 61 20.090 11.586 -1.509 1.00 2.12 C ATOM 843 O CYS A 61 19.098 12.020 -2.087 1.00 2.07 O ATOM 844 CB CYS A 61 21.418 12.536 0.403 1.00 2.27 C ATOM 845 SG CYS A 61 19.941 12.107 1.387 1.00 2.10 S ATOM 0 H CYS A 61 20.108 14.317 -1.010 1.00 2.05 H new ATOM 0 HA CYS A 61 22.129 12.206 -1.587 1.00 2.18 H new ATOM 0 HB2 CYS A 61 22.214 11.831 0.643 1.00 2.27 H new ATOM 0 HB3 CYS A 61 21.765 13.524 0.707 1.00 2.27 H new ATOM 850 N GLY A 62 20.211 10.305 -1.187 1.00 2.26 N ATOM 851 CA GLY A 62 19.126 9.412 -1.542 1.00 2.28 C ATOM 852 C GLY A 62 18.982 9.271 -3.039 1.00 2.37 C ATOM 853 O GLY A 62 19.923 9.551 -3.783 1.00 2.47 O ATOM 0 H GLY A 62 21.005 9.881 -0.707 1.00 2.26 H new ATOM 0 HA2 GLY A 62 19.303 8.431 -1.100 1.00 2.28 H new ATOM 0 HA3 GLY A 62 18.193 9.788 -1.121 1.00 2.28 H new ATOM 857 N SER A 63 17.815 8.810 -3.486 1.00 2.42 N ATOM 858 CA SER A 63 17.569 8.622 -4.907 1.00 2.58 C ATOM 859 C SER A 63 17.247 9.946 -5.604 1.00 2.48 C ATOM 860 O SER A 63 16.326 10.020 -6.418 1.00 2.62 O ATOM 861 CB SER A 63 16.409 7.642 -5.113 1.00 2.77 C ATOM 862 OG SER A 63 16.783 6.326 -4.754 1.00 3.28 O ATOM 0 H SER A 63 17.030 8.562 -2.884 1.00 2.42 H new ATOM 0 HA SER A 63 18.480 8.217 -5.349 1.00 2.58 H new ATOM 0 HB2 SER A 63 15.553 7.956 -4.515 1.00 2.77 H new ATOM 0 HB3 SER A 63 16.093 7.662 -6.156 1.00 2.77 H new ATOM 0 HG SER A 63 16.025 5.721 -4.893 1.00 3.28 H new ATOM 868 N GLY A 64 18.034 10.980 -5.299 1.00 2.30 N ATOM 869 CA GLY A 64 17.840 12.281 -5.928 1.00 2.23 C ATOM 870 C GLY A 64 17.196 13.334 -5.029 1.00 2.02 C ATOM 871 O GLY A 64 16.702 14.346 -5.529 1.00 2.09 O ATOM 0 H GLY A 64 18.802 10.940 -4.628 1.00 2.30 H new ATOM 0 HA2 GLY A 64 18.807 12.654 -6.266 1.00 2.23 H new ATOM 0 HA3 GLY A 64 17.220 12.152 -6.815 1.00 2.23 H new ATOM 875 N GLY A 65 17.175 13.104 -3.717 1.00 1.86 N ATOM 876 CA GLY A 65 16.558 14.071 -2.823 1.00 1.70 C ATOM 877 C GLY A 65 17.539 14.936 -2.046 1.00 1.64 C ATOM 878 O GLY A 65 18.490 14.432 -1.453 1.00 1.76 O ATOM 0 H GLY A 65 17.567 12.279 -3.263 1.00 1.86 H new ATOM 0 HA2 GLY A 65 15.906 14.720 -3.407 1.00 1.70 H new ATOM 0 HA3 GLY A 65 15.925 13.537 -2.114 1.00 1.70 H new ATOM 882 N ARG A 66 17.276 16.243 -2.041 1.00 1.54 N ATOM 883 CA ARG A 66 18.101 17.209 -1.311 1.00 1.56 C ATOM 884 C ARG A 66 17.538 17.465 0.077 1.00 1.33 C ATOM 885 O ARG A 66 16.363 17.206 0.321 1.00 1.19 O ATOM 886 CB ARG A 66 18.238 18.526 -2.041 1.00 1.73 C ATOM 887 CG ARG A 66 16.914 19.043 -2.588 1.00 1.74 C ATOM 888 CD ARG A 66 16.694 18.604 -4.017 1.00 1.84 C ATOM 889 NE ARG A 66 17.655 19.216 -4.918 1.00 2.26 N ATOM 890 CZ ARG A 66 17.628 19.068 -6.234 1.00 2.69 C ATOM 891 NH1 ARG A 66 16.688 18.322 -6.809 1.00 2.82 N ATOM 892 NH2 ARG A 66 18.545 19.670 -6.974 1.00 3.36 N ATOM 0 H ARG A 66 16.490 16.661 -2.539 1.00 1.54 H new ATOM 0 HA ARG A 66 19.092 16.762 -1.232 1.00 1.56 H new ATOM 0 HB2 ARG A 66 18.660 19.269 -1.364 1.00 1.73 H new ATOM 0 HB3 ARG A 66 18.943 18.408 -2.864 1.00 1.73 H new ATOM 0 HG2 ARG A 66 16.096 18.681 -1.965 1.00 1.74 H new ATOM 0 HG3 ARG A 66 16.898 20.132 -2.534 1.00 1.74 H new ATOM 0 HD2 ARG A 66 16.774 17.519 -4.081 1.00 1.84 H new ATOM 0 HD3 ARG A 66 15.683 18.868 -4.328 1.00 1.84 H new ATOM 0 HE ARG A 66 18.393 19.793 -4.514 1.00 2.26 H new ATOM 0 HH11 ARG A 66 15.982 17.860 -6.236 1.00 2.82 H new ATOM 0 HH12 ARG A 66 16.673 18.212 -7.823 1.00 2.82 H new ATOM 0 HH21 ARG A 66 19.264 20.242 -6.530 1.00 3.36 H new ATOM 0 HH22 ARG A 66 18.533 19.562 -7.988 1.00 3.36 H new ATOM 906 N CYS A 67 18.368 17.965 1.001 1.00 1.37 N ATOM 907 CA CYS A 67 17.887 18.221 2.325 1.00 1.23 C ATOM 908 C CYS A 67 16.933 19.396 2.296 1.00 1.17 C ATOM 909 O CYS A 67 17.360 20.538 2.153 1.00 1.34 O ATOM 910 CB CYS A 67 19.061 18.496 3.263 1.00 1.43 C ATOM 911 SG CYS A 67 18.633 18.447 5.030 1.00 1.64 S ATOM 0 H CYS A 67 19.350 18.189 0.843 1.00 1.37 H new ATOM 0 HA CYS A 67 17.353 17.346 2.696 1.00 1.23 H new ATOM 0 HB2 CYS A 67 19.845 17.763 3.070 1.00 1.43 H new ATOM 0 HB3 CYS A 67 19.477 19.476 3.029 1.00 1.43 H new ATOM 916 N ALA A 68 15.649 19.123 2.435 1.00 1.03 N ATOM 917 CA ALA A 68 14.654 20.186 2.413 1.00 1.11 C ATOM 918 C ALA A 68 14.353 20.668 3.826 1.00 1.07 C ATOM 919 O ALA A 68 13.778 21.735 4.019 1.00 1.21 O ATOM 920 CB ALA A 68 13.367 19.724 1.720 1.00 1.12 C ATOM 0 H ALA A 68 15.270 18.185 2.563 1.00 1.03 H new ATOM 0 HA ALA A 68 15.066 21.018 1.842 1.00 1.11 H new ATOM 0 HB1 ALA A 68 12.642 20.538 1.718 1.00 1.12 H new ATOM 0 HB2 ALA A 68 13.590 19.435 0.693 1.00 1.12 H new ATOM 0 HB3 ALA A 68 12.952 18.870 2.255 1.00 1.12 H new ATOM 926 N ALA A 69 14.721 19.856 4.807 1.00 0.97 N ATOM 927 CA ALA A 69 14.459 20.189 6.222 1.00 1.02 C ATOM 928 C ALA A 69 15.243 19.235 7.154 1.00 1.05 C ATOM 929 O ALA A 69 15.734 18.215 6.688 1.00 1.01 O ATOM 930 CB ALA A 69 12.961 20.146 6.486 1.00 1.02 C ATOM 0 H ALA A 69 15.199 18.966 4.663 1.00 0.97 H new ATOM 0 HA ALA A 69 14.808 21.200 6.433 1.00 1.02 H new ATOM 0 HB1 ALA A 69 12.768 20.392 7.530 1.00 1.02 H new ATOM 0 HB2 ALA A 69 12.458 20.869 5.844 1.00 1.02 H new ATOM 0 HB3 ALA A 69 12.583 19.146 6.273 1.00 1.02 H new ATOM 936 N ALA A 70 15.402 19.558 8.459 1.00 1.19 N ATOM 937 CA ALA A 70 16.199 18.679 9.352 1.00 1.30 C ATOM 938 C ALA A 70 15.893 17.195 9.203 1.00 1.27 C ATOM 939 O ALA A 70 14.773 16.738 9.444 1.00 1.63 O ATOM 940 CB ALA A 70 16.091 18.988 10.846 1.00 1.51 C ATOM 0 H ALA A 70 15.007 20.386 8.905 1.00 1.19 H new ATOM 0 HA ALA A 70 17.208 18.905 9.006 1.00 1.30 H new ATOM 0 HB1 ALA A 70 16.711 18.289 11.408 1.00 1.51 H new ATOM 0 HB2 ALA A 70 16.432 20.006 11.033 1.00 1.51 H new ATOM 0 HB3 ALA A 70 15.053 18.889 11.164 1.00 1.51 H new ATOM 946 N GLY A 71 16.947 16.471 8.875 1.00 1.36 N ATOM 947 CA GLY A 71 16.918 15.023 8.754 1.00 1.35 C ATOM 948 C GLY A 71 15.960 14.473 7.731 1.00 1.32 C ATOM 949 O GLY A 71 15.439 13.375 7.918 1.00 1.58 O ATOM 0 H GLY A 71 17.862 16.878 8.682 1.00 1.36 H new ATOM 0 HA2 GLY A 71 17.922 14.677 8.508 1.00 1.35 H new ATOM 0 HA3 GLY A 71 16.665 14.600 9.726 1.00 1.35 H new ATOM 953 N ILE A 72 15.725 15.199 6.662 1.00 1.14 N ATOM 954 CA ILE A 72 14.819 14.733 5.633 1.00 1.07 C ATOM 955 C ILE A 72 15.301 15.098 4.247 1.00 1.01 C ATOM 956 O ILE A 72 15.341 16.265 3.856 1.00 1.08 O ATOM 957 CB ILE A 72 13.443 15.279 5.843 1.00 1.25 C ATOM 958 CG1 ILE A 72 13.430 16.791 5.798 1.00 0.90 C ATOM 959 CG2 ILE A 72 12.861 14.762 7.147 1.00 2.04 C ATOM 960 CD1 ILE A 72 12.351 17.201 4.897 1.00 1.09 C ATOM 0 H ILE A 72 16.145 16.111 6.481 1.00 1.14 H new ATOM 0 HA ILE A 72 14.791 13.646 5.710 1.00 1.07 H new ATOM 0 HB ILE A 72 12.814 14.929 5.024 1.00 1.25 H new ATOM 0 HG12 ILE A 72 13.272 17.202 6.795 1.00 0.90 H new ATOM 0 HG13 ILE A 72 14.388 17.171 5.445 1.00 0.90 H new ATOM 0 HG21 ILE A 72 11.859 15.169 7.285 1.00 2.04 H new ATOM 0 HG22 ILE A 72 12.810 13.674 7.116 1.00 2.04 H new ATOM 0 HG23 ILE A 72 13.496 15.072 7.977 1.00 2.04 H new ATOM 0 HD11 ILE A 72 12.316 18.289 4.843 1.00 1.09 H new ATOM 0 HD12 ILE A 72 12.533 16.794 3.902 1.00 1.09 H new ATOM 0 HD13 ILE A 72 11.400 16.825 5.274 1.00 1.09 H new ATOM 972 N CYS A 73 15.661 14.079 3.506 1.00 1.06 N ATOM 973 CA CYS A 73 16.132 14.245 2.152 1.00 1.17 C ATOM 974 C CYS A 73 14.965 14.103 1.200 1.00 1.13 C ATOM 975 O CYS A 73 14.597 12.990 0.817 1.00 1.12 O ATOM 976 CB CYS A 73 17.162 13.178 1.837 1.00 1.37 C ATOM 977 SG CYS A 73 18.801 13.789 1.336 1.00 1.72 S ATOM 0 H CYS A 73 15.636 13.110 3.824 1.00 1.06 H new ATOM 0 HA CYS A 73 16.584 15.231 2.043 1.00 1.17 H new ATOM 0 HB2 CYS A 73 17.283 12.545 2.716 1.00 1.37 H new ATOM 0 HB3 CYS A 73 16.771 12.545 1.040 1.00 1.37 H new ATOM 982 N CYS A 74 14.369 15.219 0.839 1.00 1.17 N ATOM 983 CA CYS A 74 13.235 15.190 -0.052 1.00 1.20 C ATOM 984 C CYS A 74 13.627 15.583 -1.461 1.00 1.16 C ATOM 985 O CYS A 74 14.528 16.394 -1.671 1.00 1.22 O ATOM 986 CB CYS A 74 12.119 16.093 0.467 1.00 1.37 C ATOM 987 SG CYS A 74 11.640 15.759 2.192 1.00 1.23 S ATOM 0 H CYS A 74 14.650 16.150 1.147 1.00 1.17 H new ATOM 0 HA CYS A 74 12.866 14.165 -0.084 1.00 1.20 H new ATOM 0 HB2 CYS A 74 12.438 17.132 0.384 1.00 1.37 H new ATOM 0 HB3 CYS A 74 11.244 15.976 -0.172 1.00 1.37 H new ATOM 992 N SER A 75 12.927 14.988 -2.415 1.00 1.26 N ATOM 993 CA SER A 75 13.146 15.238 -3.834 1.00 1.56 C ATOM 994 C SER A 75 11.841 15.721 -4.455 1.00 1.55 C ATOM 995 O SER A 75 10.839 15.866 -3.752 1.00 1.34 O ATOM 996 CB SER A 75 13.629 13.963 -4.536 1.00 1.78 C ATOM 997 OG SER A 75 13.977 12.961 -3.597 1.00 2.25 O ATOM 0 H SER A 75 12.186 14.313 -2.226 1.00 1.26 H new ATOM 0 HA SER A 75 13.915 16.001 -3.954 1.00 1.56 H new ATOM 0 HB2 SER A 75 12.846 13.590 -5.197 1.00 1.78 H new ATOM 0 HB3 SER A 75 14.491 14.194 -5.162 1.00 1.78 H new ATOM 0 HG SER A 75 14.280 12.159 -4.072 1.00 2.25 H new ATOM 1003 N PRO A 76 11.819 15.993 -5.768 1.00 1.94 N ATOM 1004 CA PRO A 76 10.611 16.473 -6.437 1.00 2.11 C ATOM 1005 C PRO A 76 9.565 15.377 -6.637 1.00 1.87 C ATOM 1006 O PRO A 76 8.813 15.392 -7.611 1.00 2.11 O ATOM 1007 CB PRO A 76 11.127 17.003 -7.771 1.00 2.66 C ATOM 1008 CG PRO A 76 12.373 16.232 -8.039 1.00 2.70 C ATOM 1009 CD PRO A 76 12.964 15.883 -6.697 1.00 2.36 C ATOM 0 HA PRO A 76 10.092 17.227 -5.845 1.00 2.11 H new ATOM 0 HB2 PRO A 76 10.394 16.855 -8.564 1.00 2.66 H new ATOM 0 HB3 PRO A 76 11.329 18.073 -7.719 1.00 2.66 H new ATOM 0 HG2 PRO A 76 12.155 15.331 -8.612 1.00 2.70 H new ATOM 0 HG3 PRO A 76 13.074 16.822 -8.629 1.00 2.70 H new ATOM 0 HD2 PRO A 76 13.386 14.878 -6.695 1.00 2.36 H new ATOM 0 HD3 PRO A 76 13.768 16.567 -6.424 1.00 2.36 H new ATOM 1017 N ASP A 77 9.520 14.433 -5.690 1.00 1.43 N ATOM 1018 CA ASP A 77 8.551 13.339 -5.725 1.00 1.21 C ATOM 1019 C ASP A 77 8.147 12.917 -4.307 1.00 0.89 C ATOM 1020 O ASP A 77 6.957 12.804 -3.995 1.00 0.94 O ATOM 1021 CB ASP A 77 9.111 12.149 -6.495 1.00 1.32 C ATOM 1022 CG ASP A 77 8.835 12.260 -7.979 1.00 1.96 C ATOM 1023 OD1 ASP A 77 7.652 12.422 -8.351 1.00 2.55 O ATOM 1024 OD2 ASP A 77 9.798 12.192 -8.768 1.00 2.63 O ATOM 0 H ASP A 77 10.148 14.408 -4.887 1.00 1.43 H new ATOM 0 HA ASP A 77 7.660 13.697 -6.240 1.00 1.21 H new ATOM 0 HB2 ASP A 77 10.186 12.082 -6.329 1.00 1.32 H new ATOM 0 HB3 ASP A 77 8.671 11.228 -6.111 1.00 1.32 H new ATOM 1029 N GLY A 78 9.147 12.689 -3.454 1.00 0.75 N ATOM 1030 CA GLY A 78 8.870 12.293 -2.088 1.00 0.73 C ATOM 1031 C GLY A 78 9.843 12.877 -1.071 1.00 0.67 C ATOM 1032 O GLY A 78 10.421 13.945 -1.277 1.00 0.73 O ATOM 0 H GLY A 78 10.137 12.772 -3.687 1.00 0.75 H new ATOM 0 HA2 GLY A 78 7.858 12.602 -1.828 1.00 0.73 H new ATOM 0 HA3 GLY A 78 8.898 11.205 -2.022 1.00 0.73 H new ATOM 1036 N CYS A 79 10.015 12.145 0.031 1.00 0.66 N ATOM 1037 CA CYS A 79 10.911 12.544 1.123 1.00 0.63 C ATOM 1038 C CYS A 79 11.691 11.331 1.635 1.00 0.66 C ATOM 1039 O CYS A 79 11.188 10.211 1.583 1.00 0.75 O ATOM 1040 CB CYS A 79 10.096 13.162 2.256 1.00 0.70 C ATOM 1041 SG CYS A 79 9.788 14.944 2.053 1.00 1.23 S ATOM 0 H CYS A 79 9.538 11.258 0.194 1.00 0.66 H new ATOM 0 HA CYS A 79 11.621 13.282 0.750 1.00 0.63 H new ATOM 0 HB2 CYS A 79 9.140 12.644 2.328 1.00 0.70 H new ATOM 0 HB3 CYS A 79 10.619 12.998 3.198 1.00 0.70 H new ATOM 1046 N HIS A 80 12.922 11.526 2.140 1.00 0.70 N ATOM 1047 CA HIS A 80 13.709 10.384 2.606 1.00 0.84 C ATOM 1048 C HIS A 80 14.595 10.763 3.772 1.00 0.98 C ATOM 1049 O HIS A 80 15.115 11.870 3.818 1.00 1.08 O ATOM 1050 CB HIS A 80 14.597 9.899 1.454 1.00 1.01 C ATOM 1051 CG HIS A 80 14.445 8.451 1.145 1.00 1.40 C ATOM 1052 ND1 HIS A 80 13.781 7.987 0.032 1.00 2.23 N ATOM 1053 CD2 HIS A 80 14.881 7.358 1.806 1.00 2.22 C ATOM 1054 CE1 HIS A 80 13.811 6.669 0.023 1.00 3.01 C ATOM 1055 NE2 HIS A 80 14.474 6.262 1.089 1.00 2.98 N ATOM 0 H HIS A 80 13.377 12.434 2.232 1.00 0.70 H new ATOM 0 HA HIS A 80 13.023 9.602 2.933 1.00 0.84 H new ATOM 0 HB2 HIS A 80 14.364 10.478 0.560 1.00 1.01 H new ATOM 0 HB3 HIS A 80 15.639 10.100 1.702 1.00 1.01 H new ATOM 0 HD1 HIS A 80 13.335 8.572 -0.675 1.00 2.23 H new ATOM 0 HD2 HIS A 80 15.445 7.348 2.727 1.00 2.22 H new ATOM 0 HE1 HIS A 80 13.369 6.031 -0.728 1.00 3.01 H new ATOM 1064 N GLU A 81 14.795 9.840 4.698 1.00 1.07 N ATOM 1065 CA GLU A 81 15.665 10.109 5.825 1.00 1.27 C ATOM 1066 C GLU A 81 17.097 10.230 5.337 1.00 1.44 C ATOM 1067 O GLU A 81 17.497 9.564 4.383 1.00 1.56 O ATOM 1068 CB GLU A 81 15.516 9.028 6.890 1.00 1.44 C ATOM 1069 CG GLU A 81 14.201 9.139 7.641 1.00 2.05 C ATOM 1070 CD GLU A 81 13.969 7.995 8.603 1.00 2.33 C ATOM 1071 OE1 GLU A 81 13.822 6.848 8.135 1.00 2.90 O ATOM 1072 OE2 GLU A 81 13.931 8.247 9.826 1.00 2.55 O ATOM 0 H GLU A 81 14.373 8.912 4.691 1.00 1.07 H new ATOM 0 HA GLU A 81 15.381 11.053 6.290 1.00 1.27 H new ATOM 0 HB2 GLU A 81 15.582 8.047 6.421 1.00 1.44 H new ATOM 0 HB3 GLU A 81 16.343 9.100 7.596 1.00 1.44 H new ATOM 0 HG2 GLU A 81 14.183 10.079 8.192 1.00 2.05 H new ATOM 0 HG3 GLU A 81 13.381 9.174 6.923 1.00 2.05 H new ATOM 1079 N ASP A 82 17.850 11.114 5.963 1.00 1.51 N ATOM 1080 CA ASP A 82 19.224 11.355 5.562 1.00 1.71 C ATOM 1081 C ASP A 82 20.080 11.695 6.792 1.00 1.89 C ATOM 1082 O ASP A 82 19.778 12.645 7.514 1.00 1.79 O ATOM 1083 CB ASP A 82 19.225 12.497 4.534 1.00 1.65 C ATOM 1084 CG ASP A 82 19.115 13.865 5.183 1.00 1.86 C ATOM 1085 OD1 ASP A 82 18.014 14.203 5.669 1.00 2.02 O ATOM 1086 OD2 ASP A 82 20.128 14.595 5.213 1.00 2.52 O ATOM 0 H ASP A 82 17.534 11.678 6.752 1.00 1.51 H new ATOM 0 HA ASP A 82 19.658 10.464 5.107 1.00 1.71 H new ATOM 0 HB2 ASP A 82 20.141 12.451 3.945 1.00 1.65 H new ATOM 0 HB3 ASP A 82 18.394 12.359 3.842 1.00 1.65 H new ATOM 1091 N PRO A 83 21.140 10.907 7.066 1.00 2.25 N ATOM 1092 CA PRO A 83 22.008 11.116 8.240 1.00 2.49 C ATOM 1093 C PRO A 83 22.733 12.457 8.256 1.00 2.37 C ATOM 1094 O PRO A 83 23.279 12.859 9.284 1.00 2.44 O ATOM 1095 CB PRO A 83 23.036 9.989 8.141 1.00 2.98 C ATOM 1096 CG PRO A 83 22.421 8.968 7.249 1.00 2.97 C ATOM 1097 CD PRO A 83 21.557 9.730 6.284 1.00 2.55 C ATOM 0 HA PRO A 83 21.409 11.115 9.151 1.00 2.49 H new ATOM 0 HB2 PRO A 83 23.978 10.352 7.731 1.00 2.98 H new ATOM 0 HB3 PRO A 83 23.256 9.571 9.123 1.00 2.98 H new ATOM 0 HG2 PRO A 83 23.186 8.398 6.722 1.00 2.97 H new ATOM 0 HG3 PRO A 83 21.830 8.254 7.822 1.00 2.97 H new ATOM 0 HD2 PRO A 83 22.108 10.016 5.388 1.00 2.55 H new ATOM 0 HD3 PRO A 83 20.701 9.140 5.957 1.00 2.55 H new ATOM 1105 N ALA A 84 22.762 13.134 7.120 1.00 2.29 N ATOM 1106 CA ALA A 84 23.440 14.418 7.024 1.00 2.29 C ATOM 1107 C ALA A 84 22.742 15.489 7.849 1.00 2.01 C ATOM 1108 O ALA A 84 23.386 16.252 8.570 1.00 2.05 O ATOM 1109 CB ALA A 84 23.531 14.850 5.576 1.00 2.42 C ATOM 0 H ALA A 84 22.326 12.818 6.254 1.00 2.29 H new ATOM 0 HA ALA A 84 24.444 14.294 7.429 1.00 2.29 H new ATOM 0 HB1 ALA A 84 24.040 15.812 5.515 1.00 2.42 H new ATOM 0 HB2 ALA A 84 24.091 14.106 5.009 1.00 2.42 H new ATOM 0 HB3 ALA A 84 22.528 14.943 5.160 1.00 2.42 H new ATOM 1115 N CYS A 85 21.426 15.538 7.748 1.00 1.83 N ATOM 1116 CA CYS A 85 20.647 16.512 8.492 1.00 1.69 C ATOM 1117 C CYS A 85 19.921 15.825 9.647 1.00 1.85 C ATOM 1118 O CYS A 85 18.872 16.260 10.094 1.00 2.16 O ATOM 1119 CB CYS A 85 19.646 17.219 7.564 1.00 1.58 C ATOM 1120 SG CYS A 85 20.313 17.800 5.972 1.00 1.74 S ATOM 0 H CYS A 85 20.874 14.915 7.158 1.00 1.83 H new ATOM 0 HA CYS A 85 21.320 17.265 8.902 1.00 1.69 H new ATOM 0 HB2 CYS A 85 18.821 16.536 7.363 1.00 1.58 H new ATOM 0 HB3 CYS A 85 19.229 18.074 8.095 1.00 1.58 H new ATOM 1125 N ASP A 86 20.459 14.729 10.119 1.00 1.91 N ATOM 1126 CA ASP A 86 19.815 14.011 11.202 1.00 2.18 C ATOM 1127 C ASP A 86 20.200 14.555 12.568 1.00 2.43 C ATOM 1128 O ASP A 86 19.349 14.750 13.442 1.00 2.98 O ATOM 1129 CB ASP A 86 20.238 12.581 11.120 1.00 2.48 C ATOM 1130 CG ASP A 86 19.482 11.649 12.052 1.00 2.66 C ATOM 1131 OD1 ASP A 86 19.437 11.935 13.270 1.00 2.86 O ATOM 1132 OD2 ASP A 86 18.972 10.610 11.578 1.00 3.14 O ATOM 0 H ASP A 86 21.328 14.315 9.780 1.00 1.91 H new ATOM 0 HA ASP A 86 18.736 14.126 11.095 1.00 2.18 H new ATOM 0 HB2 ASP A 86 20.108 12.234 10.095 1.00 2.48 H new ATOM 0 HB3 ASP A 86 21.302 12.516 11.346 1.00 2.48 H new ATOM 1137 N PRO A 87 21.475 14.798 12.790 1.00 2.35 N ATOM 1138 CA PRO A 87 21.919 15.319 14.063 1.00 2.69 C ATOM 1139 C PRO A 87 21.222 16.613 14.260 1.00 2.64 C ATOM 1140 O PRO A 87 21.225 17.390 13.324 1.00 2.79 O ATOM 1141 CB PRO A 87 23.374 15.603 13.867 1.00 2.96 C ATOM 1142 CG PRO A 87 23.757 15.168 12.485 1.00 2.95 C ATOM 1143 CD PRO A 87 22.543 14.610 11.818 1.00 2.40 C ATOM 0 HA PRO A 87 21.732 14.649 14.902 1.00 2.69 H new ATOM 0 HB2 PRO A 87 23.574 16.666 13.999 1.00 2.96 H new ATOM 0 HB3 PRO A 87 23.968 15.072 14.611 1.00 2.96 H new ATOM 0 HG2 PRO A 87 24.150 16.011 11.916 1.00 2.95 H new ATOM 0 HG3 PRO A 87 24.546 14.417 12.528 1.00 2.95 H new ATOM 0 HD2 PRO A 87 22.327 15.131 10.885 1.00 2.40 H new ATOM 0 HD3 PRO A 87 22.674 13.556 11.571 1.00 2.40 H new ATOM 1151 N GLU A 88 20.632 16.871 15.425 1.00 3.10 N ATOM 1152 CA GLU A 88 19.950 18.091 15.604 1.00 3.72 C ATOM 1153 C GLU A 88 20.267 18.794 14.359 1.00 4.09 C ATOM 1154 O GLU A 88 21.210 19.583 14.295 1.00 4.74 O ATOM 1155 CB GLU A 88 20.523 18.829 16.752 1.00 4.22 C ATOM 1156 CG GLU A 88 20.535 18.029 18.021 1.00 4.47 C ATOM 1157 CD GLU A 88 19.230 18.163 18.780 1.00 5.40 C ATOM 1158 OE1 GLU A 88 18.456 19.106 18.477 1.00 5.82 O ATOM 1159 OE2 GLU A 88 18.990 17.343 19.680 1.00 6.00 O ATOM 0 H GLU A 88 20.627 16.245 16.230 1.00 3.10 H new ATOM 0 HA GLU A 88 18.884 17.980 15.802 1.00 3.72 H new ATOM 0 HB2 GLU A 88 21.542 19.130 16.510 1.00 4.22 H new ATOM 0 HB3 GLU A 88 19.950 19.742 16.911 1.00 4.22 H new ATOM 0 HG2 GLU A 88 20.714 16.979 17.788 1.00 4.47 H new ATOM 0 HG3 GLU A 88 21.359 18.361 18.653 1.00 4.47 H new ATOM 1166 N ALA A 89 19.593 18.340 13.322 1.00 4.04 N ATOM 1167 CA ALA A 89 19.909 18.773 11.971 1.00 4.87 C ATOM 1168 C ALA A 89 20.390 20.187 11.944 1.00 5.79 C ATOM 1169 O ALA A 89 21.273 20.566 11.168 1.00 6.54 O ATOM 1170 CB ALA A 89 18.713 18.511 11.100 1.00 4.73 C ATOM 0 H ALA A 89 18.824 17.673 13.386 1.00 4.04 H new ATOM 0 HA ALA A 89 20.745 18.200 11.570 1.00 4.87 H new ATOM 0 HB1 ALA A 89 18.929 18.829 10.080 1.00 4.73 H new ATOM 0 HB2 ALA A 89 18.484 17.445 11.107 1.00 4.73 H new ATOM 0 HB3 ALA A 89 17.857 19.068 11.480 1.00 4.73 H new ATOM 1176 N ALA A 90 19.867 20.920 12.878 1.00 6.00 N ATOM 1177 CA ALA A 90 20.289 22.263 13.086 1.00 7.08 C ATOM 1178 C ALA A 90 21.407 22.123 14.084 1.00 8.01 C ATOM 1179 O ALA A 90 21.527 21.023 14.656 1.00 8.02 O ATOM 1180 CB ALA A 90 19.116 23.089 13.590 1.00 7.26 C ATOM 0 H ALA A 90 19.137 20.601 13.515 1.00 6.00 H new ATOM 0 HA ALA A 90 20.632 22.783 12.192 1.00 7.08 H new ATOM 0 HB1 ALA A 90 19.438 24.118 13.750 1.00 7.26 H new ATOM 0 HB2 ALA A 90 18.314 23.070 12.852 1.00 7.26 H new ATOM 0 HB3 ALA A 90 18.754 22.672 14.530 1.00 7.26 H new ATOM 1186 N PHE A 91 22.243 23.124 14.350 1.00 9.02 N ATOM 1187 CA PHE A 91 23.293 22.859 15.321 1.00 10.12 C ATOM 1188 C PHE A 91 22.826 23.093 16.764 1.00 10.86 C ATOM 1189 O PHE A 91 23.150 24.108 17.386 1.00 11.47 O ATOM 1190 CB PHE A 91 24.585 23.628 15.020 1.00 10.97 C ATOM 1191 CG PHE A 91 25.575 22.737 14.280 1.00 11.29 C ATOM 1192 CD1 PHE A 91 26.177 21.624 14.897 1.00 11.74 C ATOM 1193 CD2 PHE A 91 25.863 22.978 12.948 1.00 11.36 C ATOM 1194 CE1 PHE A 91 27.044 20.798 14.189 1.00 12.25 C ATOM 1195 CE2 PHE A 91 26.730 22.157 12.246 1.00 11.87 C ATOM 1196 CZ PHE A 91 27.317 21.067 12.863 1.00 12.31 C ATOM 0 H PHE A 91 22.221 24.058 13.941 1.00 9.02 H new ATOM 0 HA PHE A 91 23.526 21.799 15.224 1.00 10.12 H new ATOM 0 HB2 PHE A 91 24.359 24.509 14.419 1.00 10.97 H new ATOM 0 HB3 PHE A 91 25.030 23.982 15.950 1.00 10.97 H new ATOM 0 HD1 PHE A 91 25.963 21.409 15.933 1.00 11.74 H new ATOM 0 HD2 PHE A 91 25.405 23.819 12.448 1.00 11.36 H new ATOM 0 HE1 PHE A 91 27.502 19.949 14.675 1.00 12.25 H new ATOM 0 HE2 PHE A 91 26.949 22.369 11.210 1.00 11.87 H new ATOM 0 HZ PHE A 91 27.988 20.428 12.308 1.00 12.31 H new ATOM 1206 N SER A 92 22.079 22.125 17.310 1.00 10.99 N ATOM 1207 CA SER A 92 21.590 22.181 18.699 1.00 11.81 C ATOM 1208 C SER A 92 20.776 23.452 18.950 1.00 12.30 C ATOM 1209 O SER A 92 21.289 24.547 18.650 1.00 12.79 O ATOM 1210 CB SER A 92 22.775 22.112 19.685 1.00 12.05 C ATOM 1211 OG SER A 92 22.341 21.871 21.016 1.00 12.50 O ATOM 1212 OXT SER A 92 19.637 23.335 19.456 1.00 12.37 O ATOM 0 H SER A 92 21.796 21.284 16.807 1.00 10.99 H new ATOM 0 HA SER A 92 20.938 21.322 18.859 1.00 11.81 H new ATOM 0 HB2 SER A 92 23.459 21.321 19.377 1.00 12.05 H new ATOM 0 HB3 SER A 92 23.333 23.048 19.649 1.00 12.05 H new ATOM 0 HG SER A 92 23.118 21.832 21.612 1.00 12.50 H new TER 1218 SER A 92 ATOM 1219 N ALA B 101 -10.268 -1.725 14.740 1.00 8.57 N ATOM 1220 CA ALA B 101 -9.819 -3.104 15.056 1.00 8.06 C ATOM 1221 C ALA B 101 -9.365 -3.832 13.803 1.00 7.08 C ATOM 1222 O ALA B 101 -9.540 -3.355 12.682 1.00 6.95 O ATOM 1223 CB ALA B 101 -10.923 -3.898 15.748 1.00 8.80 C ATOM 0 HA ALA B 101 -8.972 -3.022 15.737 1.00 8.06 H new ATOM 0 HB1 ALA B 101 -10.565 -4.904 15.967 1.00 8.80 H new ATOM 0 HB2 ALA B 101 -11.201 -3.401 16.678 1.00 8.80 H new ATOM 0 HB3 ALA B 101 -11.793 -3.957 15.094 1.00 8.80 H new ATOM 1231 N VAL B 102 -8.774 -4.984 14.010 1.00 6.70 N ATOM 1232 CA VAL B 102 -8.289 -5.778 12.926 1.00 6.06 C ATOM 1233 C VAL B 102 -7.237 -5.059 12.122 1.00 5.04 C ATOM 1234 O VAL B 102 -7.464 -4.051 11.443 1.00 4.95 O ATOM 1235 CB VAL B 102 -9.392 -6.249 11.968 1.00 6.76 C ATOM 1236 CG1 VAL B 102 -8.841 -7.349 11.072 1.00 7.12 C ATOM 1237 CG2 VAL B 102 -10.628 -6.724 12.721 1.00 7.16 C ATOM 0 H VAL B 102 -8.620 -5.389 14.933 1.00 6.70 H new ATOM 0 HA VAL B 102 -7.855 -6.654 13.407 1.00 6.06 H new ATOM 0 HB VAL B 102 -9.704 -5.405 11.353 1.00 6.76 H new ATOM 0 HG11 VAL B 102 -9.621 -7.687 10.390 1.00 7.12 H new ATOM 0 HG12 VAL B 102 -7.999 -6.963 10.498 1.00 7.12 H new ATOM 0 HG13 VAL B 102 -8.508 -8.186 11.686 1.00 7.12 H new ATOM 0 HG21 VAL B 102 -11.386 -7.049 12.008 1.00 7.16 H new ATOM 0 HG22 VAL B 102 -10.360 -7.557 13.371 1.00 7.16 H new ATOM 0 HG23 VAL B 102 -11.024 -5.906 13.323 1.00 7.16 H new ATOM 1247 N LEU B 103 -6.113 -5.674 12.173 1.00 4.49 N ATOM 1248 CA LEU B 103 -4.939 -5.310 11.451 1.00 3.66 C ATOM 1249 C LEU B 103 -4.378 -6.659 11.202 1.00 3.63 C ATOM 1250 O LEU B 103 -4.536 -7.550 12.088 1.00 3.74 O ATOM 1251 CB LEU B 103 -4.032 -4.405 12.254 1.00 3.37 C ATOM 1252 CG LEU B 103 -3.214 -5.107 13.307 1.00 3.78 C ATOM 1253 CD1 LEU B 103 -2.022 -4.280 13.667 1.00 4.19 C ATOM 1254 CD2 LEU B 103 -4.041 -5.396 14.533 1.00 4.51 C ATOM 0 H LEU B 103 -5.974 -6.499 12.756 1.00 4.49 H new ATOM 0 HA LEU B 103 -5.100 -4.721 10.548 1.00 3.66 H new ATOM 0 HB2 LEU B 103 -3.356 -3.892 11.570 1.00 3.37 H new ATOM 0 HB3 LEU B 103 -4.640 -3.639 12.736 1.00 3.37 H new ATOM 0 HG LEU B 103 -2.875 -6.059 12.898 1.00 3.78 H new ATOM 0 HD11 LEU B 103 -1.438 -4.796 14.429 1.00 4.19 H new ATOM 0 HD12 LEU B 103 -1.406 -4.124 12.781 1.00 4.19 H new ATOM 0 HD13 LEU B 103 -2.352 -3.316 14.054 1.00 4.19 H new ATOM 0 HD21 LEU B 103 -3.425 -5.903 15.276 1.00 4.51 H new ATOM 0 HD22 LEU B 103 -4.415 -4.460 14.949 1.00 4.51 H new ATOM 0 HD23 LEU B 103 -4.882 -6.034 14.262 1.00 4.51 H new ATOM 1266 N ASP B 104 -3.847 -6.889 10.008 1.00 3.84 N ATOM 1267 CA ASP B 104 -3.442 -8.226 9.709 1.00 4.14 C ATOM 1268 C ASP B 104 -2.311 -8.662 10.603 1.00 3.92 C ATOM 1269 O ASP B 104 -1.191 -8.906 10.152 1.00 4.05 O ATOM 1270 CB ASP B 104 -3.113 -8.440 8.208 1.00 5.11 C ATOM 1271 CG ASP B 104 -4.221 -9.141 7.417 1.00 5.69 C ATOM 1272 OD1 ASP B 104 -5.386 -8.693 7.480 1.00 6.19 O ATOM 1273 OD2 ASP B 104 -3.915 -10.137 6.713 1.00 5.92 O ATOM 0 H ASP B 104 -3.698 -6.196 9.274 1.00 3.84 H new ATOM 0 HA ASP B 104 -4.299 -8.867 9.917 1.00 4.14 H new ATOM 0 HB2 ASP B 104 -2.912 -7.472 7.750 1.00 5.11 H new ATOM 0 HB3 ASP B 104 -2.198 -9.027 8.128 1.00 5.11 H new ATOM 1278 N LEU B 105 -2.626 -8.733 11.900 1.00 3.95 N ATOM 1279 CA LEU B 105 -1.711 -9.096 12.855 1.00 4.42 C ATOM 1280 C LEU B 105 -2.391 -9.695 14.065 1.00 4.87 C ATOM 1281 O LEU B 105 -2.486 -10.908 14.244 1.00 5.59 O ATOM 1282 CB LEU B 105 -0.998 -7.870 13.231 1.00 4.80 C ATOM 1283 CG LEU B 105 -0.079 -7.333 12.159 1.00 5.60 C ATOM 1284 CD1 LEU B 105 0.557 -6.067 12.680 1.00 5.65 C ATOM 1285 CD2 LEU B 105 0.954 -8.392 11.737 1.00 6.29 C ATOM 0 H LEU B 105 -3.554 -8.526 12.269 1.00 3.95 H new ATOM 0 HA LEU B 105 -1.031 -9.854 12.467 1.00 4.42 H new ATOM 0 HB2 LEU B 105 -1.729 -7.102 13.485 1.00 4.80 H new ATOM 0 HB3 LEU B 105 -0.414 -8.064 14.130 1.00 4.80 H new ATOM 0 HG LEU B 105 -0.640 -7.095 11.255 1.00 5.60 H new ATOM 0 HD11 LEU B 105 1.227 -5.658 11.923 1.00 5.65 H new ATOM 0 HD12 LEU B 105 -0.220 -5.337 12.909 1.00 5.65 H new ATOM 0 HD13 LEU B 105 1.124 -6.290 13.584 1.00 5.65 H new ATOM 0 HD21 LEU B 105 1.603 -7.980 10.964 1.00 6.29 H new ATOM 0 HD22 LEU B 105 1.555 -8.679 12.600 1.00 6.29 H new ATOM 0 HD23 LEU B 105 0.437 -9.269 11.347 1.00 6.29 H new ATOM 1297 N ASP B 106 -2.817 -8.799 14.904 1.00 4.68 N ATOM 1298 CA ASP B 106 -3.454 -9.155 16.144 1.00 5.30 C ATOM 1299 C ASP B 106 -4.109 -7.958 16.849 1.00 5.24 C ATOM 1300 O ASP B 106 -5.303 -8.022 17.159 1.00 5.64 O ATOM 1301 CB ASP B 106 -2.389 -9.767 17.005 1.00 5.87 C ATOM 1302 CG ASP B 106 -2.571 -11.263 17.232 1.00 6.51 C ATOM 1303 OD1 ASP B 106 -3.697 -11.686 17.576 1.00 7.05 O ATOM 1304 OD2 ASP B 106 -1.583 -12.013 17.067 1.00 6.67 O ATOM 0 H ASP B 106 -2.734 -7.794 14.750 1.00 4.68 H new ATOM 0 HA ASP B 106 -4.271 -9.851 15.952 1.00 5.30 H new ATOM 0 HB2 ASP B 106 -1.417 -9.594 16.544 1.00 5.87 H new ATOM 0 HB3 ASP B 106 -2.378 -9.260 17.970 1.00 5.87 H new ATOM 1309 N VAL B 107 -3.357 -6.866 17.106 1.00 4.93 N ATOM 1310 CA VAL B 107 -3.940 -5.722 17.767 1.00 4.96 C ATOM 1311 C VAL B 107 -3.285 -4.465 17.263 1.00 3.99 C ATOM 1312 O VAL B 107 -2.072 -4.271 17.395 1.00 3.81 O ATOM 1313 CB VAL B 107 -3.721 -5.798 19.302 1.00 5.92 C ATOM 1314 CG1 VAL B 107 -2.229 -5.834 19.612 1.00 6.08 C ATOM 1315 CG2 VAL B 107 -4.383 -4.622 20.014 1.00 6.18 C ATOM 0 H VAL B 107 -2.370 -6.771 16.865 1.00 4.93 H new ATOM 0 HA VAL B 107 -5.009 -5.716 17.553 1.00 4.96 H new ATOM 0 HB VAL B 107 -4.185 -6.713 19.669 1.00 5.92 H new ATOM 0 HG11 VAL B 107 -2.083 -5.887 20.691 1.00 6.08 H new ATOM 0 HG12 VAL B 107 -1.781 -6.709 19.141 1.00 6.08 H new ATOM 0 HG13 VAL B 107 -1.755 -4.931 19.226 1.00 6.08 H new ATOM 0 HG21 VAL B 107 -4.212 -4.704 21.087 1.00 6.18 H new ATOM 0 HG22 VAL B 107 -3.956 -3.688 19.648 1.00 6.18 H new ATOM 0 HG23 VAL B 107 -5.455 -4.633 19.816 1.00 6.18 H new ATOM 1325 N ARG B 108 -4.100 -3.632 16.681 1.00 3.74 N ATOM 1326 CA ARG B 108 -3.693 -2.400 16.153 1.00 3.04 C ATOM 1327 C ARG B 108 -3.506 -1.414 17.259 1.00 2.90 C ATOM 1328 O ARG B 108 -4.486 -0.804 17.691 1.00 3.37 O ATOM 1329 CB ARG B 108 -4.807 -1.873 15.217 1.00 3.51 C ATOM 1330 CG ARG B 108 -6.257 -2.021 15.760 1.00 4.26 C ATOM 1331 CD ARG B 108 -6.833 -0.711 16.289 1.00 5.10 C ATOM 1332 NE ARG B 108 -7.102 -0.779 17.727 1.00 5.70 N ATOM 1333 CZ ARG B 108 -7.394 0.271 18.476 1.00 6.57 C ATOM 1334 NH1 ARG B 108 -7.441 1.480 17.935 1.00 6.98 N ATOM 1335 NH2 ARG B 108 -7.636 0.113 19.769 1.00 7.30 N ATOM 0 H ARG B 108 -5.097 -3.816 16.567 1.00 3.74 H new ATOM 0 HA ARG B 108 -2.756 -2.528 15.611 1.00 3.04 H new ATOM 0 HB2 ARG B 108 -4.619 -0.819 15.013 1.00 3.51 H new ATOM 0 HB3 ARG B 108 -4.738 -2.399 14.265 1.00 3.51 H new ATOM 0 HG2 ARG B 108 -6.900 -2.399 14.965 1.00 4.26 H new ATOM 0 HG3 ARG B 108 -6.266 -2.764 16.558 1.00 4.26 H new ATOM 0 HD2 ARG B 108 -6.135 0.101 16.087 1.00 5.10 H new ATOM 0 HD3 ARG B 108 -7.755 -0.478 15.757 1.00 5.10 H new ATOM 0 HE ARG B 108 -7.062 -1.693 18.179 1.00 5.70 H new ATOM 0 HH11 ARG B 108 -7.252 1.601 16.940 1.00 6.98 H new ATOM 0 HH12 ARG B 108 -7.666 2.289 18.514 1.00 6.98 H new ATOM 0 HH21 ARG B 108 -7.597 -0.817 20.185 1.00 7.30 H new ATOM 0 HH22 ARG B 108 -7.861 0.922 20.348 1.00 7.30 H new ATOM 1349 N THR B 109 -2.285 -1.112 17.637 1.00 2.68 N ATOM 1350 CA THR B 109 -2.171 -0.029 18.572 1.00 2.79 C ATOM 1351 C THR B 109 -1.613 1.095 17.746 1.00 2.09 C ATOM 1352 O THR B 109 -0.410 1.197 17.489 1.00 2.01 O ATOM 1353 CB THR B 109 -1.290 -0.389 19.759 1.00 3.46 C ATOM 1354 OG1 THR B 109 -1.086 0.724 20.615 1.00 4.05 O ATOM 1355 CG2 THR B 109 0.063 -0.918 19.346 1.00 3.90 C ATOM 0 H THR B 109 -1.420 -1.563 17.338 1.00 2.68 H new ATOM 0 HA THR B 109 -3.123 0.237 19.032 1.00 2.79 H new ATOM 0 HB THR B 109 -1.830 -1.175 20.287 1.00 3.46 H new ATOM 0 HG1 THR B 109 -0.517 0.458 21.368 1.00 4.05 H new ATOM 0 HG21 THR B 109 0.647 -1.158 20.235 1.00 3.90 H new ATOM 0 HG22 THR B 109 -0.066 -1.817 18.743 1.00 3.90 H new ATOM 0 HG23 THR B 109 0.586 -0.162 18.761 1.00 3.90 H new ATOM 1363 N CYS B 110 -2.547 1.894 17.283 1.00 2.08 N ATOM 1364 CA CYS B 110 -2.255 3.012 16.381 1.00 1.76 C ATOM 1365 C CYS B 110 -1.618 4.228 17.105 1.00 1.45 C ATOM 1366 O CYS B 110 -2.317 5.199 17.396 1.00 1.52 O ATOM 1367 CB CYS B 110 -3.548 3.467 15.693 1.00 2.39 C ATOM 1368 SG CYS B 110 -3.820 2.689 14.070 1.00 2.64 S ATOM 0 H CYS B 110 -3.536 1.797 17.515 1.00 2.08 H new ATOM 0 HA CYS B 110 -1.529 2.647 15.654 1.00 1.76 H new ATOM 0 HB2 CYS B 110 -4.394 3.241 16.342 1.00 2.39 H new ATOM 0 HB3 CYS B 110 -3.522 4.550 15.568 1.00 2.39 H new ATOM 1373 N LEU B 111 -0.309 4.187 17.397 1.00 1.29 N ATOM 1374 CA LEU B 111 0.382 5.309 18.078 1.00 1.23 C ATOM 1375 C LEU B 111 -0.190 6.674 17.685 1.00 1.07 C ATOM 1376 O LEU B 111 -0.051 7.092 16.528 1.00 0.94 O ATOM 1377 CB LEU B 111 1.877 5.309 17.764 1.00 1.40 C ATOM 1378 CG LEU B 111 2.784 4.712 18.847 1.00 1.95 C ATOM 1379 CD1 LEU B 111 2.134 3.515 19.540 1.00 2.60 C ATOM 1380 CD2 LEU B 111 4.117 4.321 18.236 1.00 2.77 C ATOM 0 H LEU B 111 0.296 3.396 17.176 1.00 1.29 H new ATOM 0 HA LEU B 111 0.221 5.153 19.145 1.00 1.23 H new ATOM 0 HB2 LEU B 111 2.035 4.756 16.838 1.00 1.40 H new ATOM 0 HB3 LEU B 111 2.191 6.336 17.579 1.00 1.40 H new ATOM 0 HG LEU B 111 2.945 5.472 19.611 1.00 1.95 H new ATOM 0 HD11 LEU B 111 2.810 3.123 20.300 1.00 2.60 H new ATOM 0 HD12 LEU B 111 1.202 3.829 20.011 1.00 2.60 H new ATOM 0 HD13 LEU B 111 1.925 2.738 18.805 1.00 2.60 H new ATOM 0 HD21 LEU B 111 4.760 3.897 19.007 1.00 2.77 H new ATOM 0 HD22 LEU B 111 3.955 3.582 17.452 1.00 2.77 H new ATOM 0 HD23 LEU B 111 4.595 5.203 17.810 1.00 2.77 H new ATOM 1392 N PRO B 112 -0.840 7.384 18.634 1.00 1.22 N ATOM 1393 CA PRO B 112 -1.436 8.703 18.371 1.00 1.18 C ATOM 1394 C PRO B 112 -0.421 9.843 18.287 1.00 1.09 C ATOM 1395 O PRO B 112 0.270 10.129 19.259 1.00 1.33 O ATOM 1396 CB PRO B 112 -2.338 8.921 19.586 1.00 1.52 C ATOM 1397 CG PRO B 112 -1.678 8.160 20.685 1.00 1.70 C ATOM 1398 CD PRO B 112 -1.061 6.951 20.036 1.00 1.54 C ATOM 0 HA PRO B 112 -1.940 8.712 17.405 1.00 1.18 H new ATOM 0 HB2 PRO B 112 -2.423 9.979 19.832 1.00 1.52 H new ATOM 0 HB3 PRO B 112 -3.348 8.555 19.401 1.00 1.52 H new ATOM 0 HG2 PRO B 112 -0.920 8.767 21.180 1.00 1.70 H new ATOM 0 HG3 PRO B 112 -2.401 7.868 21.447 1.00 1.70 H new ATOM 0 HD2 PRO B 112 -0.126 6.669 20.521 1.00 1.54 H new ATOM 0 HD3 PRO B 112 -1.722 6.086 20.089 1.00 1.54 H new ATOM 1406 N CYS B 113 -0.352 10.520 17.133 1.00 0.95 N ATOM 1407 CA CYS B 113 0.573 11.640 16.985 1.00 0.93 C ATOM 1408 C CYS B 113 -0.098 12.863 16.353 1.00 0.91 C ATOM 1409 O CYS B 113 -1.302 12.864 16.092 1.00 0.98 O ATOM 1410 CB CYS B 113 1.811 11.222 16.191 1.00 0.98 C ATOM 1411 SG CYS B 113 1.626 11.235 14.373 1.00 1.26 S ATOM 0 H CYS B 113 -0.914 10.314 16.307 1.00 0.95 H new ATOM 0 HA CYS B 113 0.889 11.932 17.987 1.00 0.93 H new ATOM 0 HB2 CYS B 113 2.633 11.885 16.459 1.00 0.98 H new ATOM 0 HB3 CYS B 113 2.098 10.217 16.502 1.00 0.98 H new ATOM 1416 N GLY B 114 0.686 13.918 16.147 1.00 0.96 N ATOM 1417 CA GLY B 114 0.155 15.156 15.595 1.00 1.03 C ATOM 1418 C GLY B 114 -0.610 15.962 16.635 1.00 1.13 C ATOM 1419 O GLY B 114 -0.483 15.715 17.836 1.00 1.20 O ATOM 0 H GLY B 114 1.685 13.939 16.353 1.00 0.96 H new ATOM 0 HA2 GLY B 114 0.974 15.758 15.201 1.00 1.03 H new ATOM 0 HA3 GLY B 114 -0.504 14.926 14.758 1.00 1.03 H new ATOM 1423 N PRO B 115 -1.443 16.914 16.200 1.00 1.27 N ATOM 1424 CA PRO B 115 -2.288 17.743 17.085 1.00 1.51 C ATOM 1425 C PRO B 115 -3.361 16.916 17.796 1.00 1.65 C ATOM 1426 O PRO B 115 -4.413 16.607 17.230 1.00 1.78 O ATOM 1427 CB PRO B 115 -2.951 18.688 16.094 1.00 1.66 C ATOM 1428 CG PRO B 115 -3.104 17.772 14.973 1.00 1.59 C ATOM 1429 CD PRO B 115 -1.724 17.239 14.800 1.00 1.34 C ATOM 0 HA PRO B 115 -1.718 18.228 17.877 1.00 1.51 H new ATOM 0 HB2 PRO B 115 -3.904 19.075 16.454 1.00 1.66 H new ATOM 0 HB3 PRO B 115 -2.328 19.549 15.852 1.00 1.66 H new ATOM 0 HG2 PRO B 115 -3.820 16.980 15.191 1.00 1.59 H new ATOM 0 HG3 PRO B 115 -3.457 18.283 14.077 1.00 1.59 H new ATOM 0 HD2 PRO B 115 -1.685 16.367 14.147 1.00 1.34 H new ATOM 0 HD3 PRO B 115 -1.034 17.976 14.389 1.00 1.34 H new ATOM 1437 N GLY B 116 -3.085 16.579 19.019 1.00 1.76 N ATOM 1438 CA GLY B 116 -4.000 15.795 19.827 1.00 1.94 C ATOM 1439 C GLY B 116 -3.797 14.307 19.690 1.00 1.73 C ATOM 1440 O GLY B 116 -4.538 13.507 20.279 1.00 1.84 O ATOM 0 H GLY B 116 -2.220 16.835 19.496 1.00 1.76 H new ATOM 0 HA2 GLY B 116 -3.880 16.076 20.873 1.00 1.94 H new ATOM 0 HA3 GLY B 116 -5.024 16.042 19.546 1.00 1.94 H new ATOM 1444 N GLY B 117 -2.762 13.934 18.970 1.00 1.48 N ATOM 1445 CA GLY B 117 -2.448 12.552 18.821 1.00 1.36 C ATOM 1446 C GLY B 117 -3.386 11.771 17.938 1.00 1.33 C ATOM 1447 O GLY B 117 -3.821 10.676 18.289 1.00 1.40 O ATOM 0 H GLY B 117 -2.133 14.574 18.485 1.00 1.48 H new ATOM 0 HA2 GLY B 117 -1.439 12.467 18.417 1.00 1.36 H new ATOM 0 HA3 GLY B 117 -2.436 12.090 19.808 1.00 1.36 H new ATOM 1451 N LYS B 118 -3.716 12.338 16.811 1.00 1.34 N ATOM 1452 CA LYS B 118 -4.616 11.703 15.872 1.00 1.43 C ATOM 1453 C LYS B 118 -3.861 10.914 14.801 1.00 1.36 C ATOM 1454 O LYS B 118 -4.400 9.981 14.195 1.00 1.61 O ATOM 1455 CB LYS B 118 -5.482 12.783 15.253 1.00 1.61 C ATOM 1456 CG LYS B 118 -5.712 13.947 16.210 1.00 1.63 C ATOM 1457 CD LYS B 118 -7.117 14.463 16.130 1.00 1.94 C ATOM 1458 CE LYS B 118 -7.145 15.984 16.070 1.00 2.34 C ATOM 1459 NZ LYS B 118 -8.060 16.496 15.009 1.00 3.07 N ATOM 0 H LYS B 118 -3.373 13.251 16.512 1.00 1.34 H new ATOM 0 HA LYS B 118 -5.238 10.978 16.397 1.00 1.43 H new ATOM 0 HB2 LYS B 118 -5.009 13.150 14.342 1.00 1.61 H new ATOM 0 HB3 LYS B 118 -6.442 12.356 14.963 1.00 1.61 H new ATOM 0 HG2 LYS B 118 -5.500 13.627 17.230 1.00 1.63 H new ATOM 0 HG3 LYS B 118 -5.015 14.752 15.977 1.00 1.63 H new ATOM 0 HD2 LYS B 118 -7.608 14.053 15.247 1.00 1.94 H new ATOM 0 HD3 LYS B 118 -7.682 14.121 16.997 1.00 1.94 H new ATOM 0 HE2 LYS B 118 -7.459 16.377 17.037 1.00 2.34 H new ATOM 0 HE3 LYS B 118 -6.137 16.356 15.887 1.00 2.34 H new ATOM 0 HZ1 LYS B 118 -8.044 17.536 15.009 1.00 3.07 H new ATOM 0 HZ2 LYS B 118 -7.747 16.145 14.082 1.00 3.07 H new ATOM 0 HZ3 LYS B 118 -9.028 16.165 15.196 1.00 3.07 H new ATOM 1473 N GLY B 119 -2.620 11.310 14.562 1.00 1.16 N ATOM 1474 CA GLY B 119 -1.821 10.651 13.565 1.00 1.13 C ATOM 1475 C GLY B 119 -1.256 9.359 14.067 1.00 1.03 C ATOM 1476 O GLY B 119 -1.388 9.032 15.245 1.00 1.12 O ATOM 0 H GLY B 119 -2.156 12.079 15.045 1.00 1.16 H new ATOM 0 HA2 GLY B 119 -2.428 10.462 12.680 1.00 1.13 H new ATOM 0 HA3 GLY B 119 -1.007 11.309 13.259 1.00 1.13 H new ATOM 1480 N ARG B 120 -0.629 8.621 13.174 1.00 0.92 N ATOM 1481 CA ARG B 120 -0.046 7.344 13.527 1.00 0.87 C ATOM 1482 C ARG B 120 1.444 7.357 13.243 1.00 0.78 C ATOM 1483 O ARG B 120 1.892 8.024 12.315 1.00 0.79 O ATOM 1484 CB ARG B 120 -0.717 6.252 12.710 1.00 0.93 C ATOM 1485 CG ARG B 120 -1.886 5.568 13.395 1.00 1.25 C ATOM 1486 CD ARG B 120 -3.205 6.182 12.955 1.00 1.43 C ATOM 1487 NE ARG B 120 -3.755 5.523 11.768 1.00 1.64 N ATOM 1488 CZ ARG B 120 -4.928 5.843 11.220 1.00 1.96 C ATOM 1489 NH1 ARG B 120 -5.665 6.814 11.740 1.00 2.27 N ATOM 1490 NH2 ARG B 120 -5.362 5.196 10.145 1.00 2.63 N ATOM 0 H ARG B 120 -0.510 8.885 12.196 1.00 0.92 H new ATOM 0 HA ARG B 120 -0.197 7.155 14.590 1.00 0.87 H new ATOM 0 HB2 ARG B 120 -1.066 6.683 11.772 1.00 0.93 H new ATOM 0 HB3 ARG B 120 0.028 5.498 12.457 1.00 0.93 H new ATOM 0 HG2 ARG B 120 -1.879 4.504 13.160 1.00 1.25 H new ATOM 0 HG3 ARG B 120 -1.782 5.656 14.476 1.00 1.25 H new ATOM 0 HD2 ARG B 120 -3.925 6.116 13.771 1.00 1.43 H new ATOM 0 HD3 ARG B 120 -3.058 7.241 12.745 1.00 1.43 H new ATOM 0 HE ARG B 120 -3.210 4.777 11.336 1.00 1.64 H new ATOM 0 HH11 ARG B 120 -5.336 7.320 12.562 1.00 2.27 H new ATOM 0 HH12 ARG B 120 -6.562 7.056 11.318 1.00 2.27 H new ATOM 0 HH21 ARG B 120 -4.798 4.451 9.736 1.00 2.63 H new ATOM 0 HH22 ARG B 120 -6.260 5.443 9.729 1.00 2.63 H new ATOM 1504 N CYS B 121 2.213 6.611 14.027 1.00 0.76 N ATOM 1505 CA CYS B 121 3.662 6.587 13.810 1.00 0.73 C ATOM 1506 C CYS B 121 4.051 5.362 13.000 1.00 0.77 C ATOM 1507 O CYS B 121 3.675 4.236 13.317 1.00 0.95 O ATOM 1508 CB CYS B 121 4.425 6.554 15.143 1.00 0.82 C ATOM 1509 SG CYS B 121 4.471 8.129 16.063 1.00 1.21 S ATOM 0 H CYS B 121 1.876 6.031 14.796 1.00 0.76 H new ATOM 0 HA CYS B 121 3.926 7.496 13.269 1.00 0.73 H new ATOM 0 HB2 CYS B 121 3.974 5.794 15.781 1.00 0.82 H new ATOM 0 HB3 CYS B 121 5.450 6.238 14.947 1.00 0.82 H new ATOM 1514 N PHE B 122 4.790 5.626 11.922 1.00 0.70 N ATOM 1515 CA PHE B 122 5.230 4.590 10.986 1.00 0.83 C ATOM 1516 C PHE B 122 6.736 4.367 11.061 1.00 0.96 C ATOM 1517 O PHE B 122 7.222 3.272 10.775 1.00 1.61 O ATOM 1518 CB PHE B 122 4.845 5.001 9.555 1.00 0.93 C ATOM 1519 CG PHE B 122 3.398 4.756 9.229 1.00 1.00 C ATOM 1520 CD1 PHE B 122 2.400 5.125 10.123 1.00 1.82 C ATOM 1521 CD2 PHE B 122 3.031 4.124 8.045 1.00 1.47 C ATOM 1522 CE1 PHE B 122 1.068 4.869 9.844 1.00 2.14 C ATOM 1523 CE2 PHE B 122 1.697 3.872 7.759 1.00 1.79 C ATOM 1524 CZ PHE B 122 0.717 4.244 8.661 1.00 1.81 C ATOM 0 H PHE B 122 5.101 6.565 11.673 1.00 0.70 H new ATOM 0 HA PHE B 122 4.738 3.657 11.259 1.00 0.83 H new ATOM 0 HB2 PHE B 122 5.066 6.060 9.418 1.00 0.93 H new ATOM 0 HB3 PHE B 122 5.467 4.451 8.848 1.00 0.93 H new ATOM 0 HD1 PHE B 122 2.667 5.617 11.047 1.00 1.82 H new ATOM 0 HD2 PHE B 122 3.793 3.826 7.340 1.00 1.47 H new ATOM 0 HE1 PHE B 122 0.303 5.157 10.550 1.00 2.14 H new ATOM 0 HE2 PHE B 122 1.424 3.386 6.834 1.00 1.79 H new ATOM 0 HZ PHE B 122 -0.322 4.047 8.442 1.00 1.81 H new ATOM 1534 N GLY B 123 7.466 5.414 11.432 1.00 0.78 N ATOM 1535 CA GLY B 123 8.910 5.325 11.529 1.00 0.82 C ATOM 1536 C GLY B 123 9.496 6.388 12.439 1.00 0.81 C ATOM 1537 O GLY B 123 8.760 7.144 13.073 1.00 0.99 O ATOM 0 H GLY B 123 7.079 6.328 11.668 1.00 0.78 H new ATOM 0 HA2 GLY B 123 9.186 4.339 11.902 1.00 0.82 H new ATOM 0 HA3 GLY B 123 9.345 5.422 10.534 1.00 0.82 H new ATOM 1541 N PRO B 124 10.832 6.458 12.534 1.00 0.74 N ATOM 1542 CA PRO B 124 11.520 7.433 13.391 1.00 0.83 C ATOM 1543 C PRO B 124 11.068 8.885 13.152 1.00 0.81 C ATOM 1544 O PRO B 124 10.667 9.569 14.094 1.00 0.89 O ATOM 1545 CB PRO B 124 12.995 7.248 13.026 1.00 0.94 C ATOM 1546 CG PRO B 124 13.089 5.854 12.506 1.00 0.96 C ATOM 1547 CD PRO B 124 11.778 5.575 11.827 1.00 0.80 C ATOM 0 HA PRO B 124 11.302 7.262 14.445 1.00 0.83 H new ATOM 0 HB2 PRO B 124 13.310 7.972 12.275 1.00 0.94 H new ATOM 0 HB3 PRO B 124 13.638 7.390 13.895 1.00 0.94 H new ATOM 0 HG2 PRO B 124 13.919 5.754 11.807 1.00 0.96 H new ATOM 0 HG3 PRO B 124 13.267 5.147 13.316 1.00 0.96 H new ATOM 0 HD2 PRO B 124 11.821 5.803 10.762 1.00 0.80 H new ATOM 0 HD3 PRO B 124 11.494 4.527 11.918 1.00 0.80 H new ATOM 1555 N SER B 125 11.127 9.354 11.897 1.00 0.80 N ATOM 1556 CA SER B 125 10.710 10.729 11.563 1.00 0.84 C ATOM 1557 C SER B 125 9.591 10.723 10.541 1.00 0.78 C ATOM 1558 O SER B 125 9.548 11.579 9.661 1.00 0.98 O ATOM 1559 CB SER B 125 11.890 11.570 11.022 1.00 0.94 C ATOM 1560 OG SER B 125 12.497 12.300 12.076 1.00 1.00 O ATOM 0 H SER B 125 11.456 8.809 11.100 1.00 0.80 H new ATOM 0 HA SER B 125 10.354 11.184 12.487 1.00 0.84 H new ATOM 0 HB2 SER B 125 12.625 10.917 10.552 1.00 0.94 H new ATOM 0 HB3 SER B 125 11.534 12.256 10.253 1.00 0.94 H new ATOM 0 HG SER B 125 13.243 12.827 11.721 1.00 1.00 H new ATOM 1566 N ILE B 126 8.691 9.757 10.644 1.00 0.60 N ATOM 1567 CA ILE B 126 7.597 9.673 9.708 1.00 0.57 C ATOM 1568 C ILE B 126 6.287 9.294 10.391 1.00 0.55 C ATOM 1569 O ILE B 126 6.124 8.166 10.848 1.00 0.60 O ATOM 1570 CB ILE B 126 7.917 8.668 8.595 1.00 0.61 C ATOM 1571 CG1 ILE B 126 9.329 8.917 8.075 1.00 0.74 C ATOM 1572 CG2 ILE B 126 6.908 8.803 7.480 1.00 0.97 C ATOM 1573 CD1 ILE B 126 9.745 7.998 6.951 1.00 0.79 C ATOM 0 H ILE B 126 8.701 9.031 11.360 1.00 0.60 H new ATOM 0 HA ILE B 126 7.470 10.664 9.273 1.00 0.57 H new ATOM 0 HB ILE B 126 7.862 7.654 8.990 1.00 0.61 H new ATOM 0 HG12 ILE B 126 9.401 9.949 7.731 1.00 0.74 H new ATOM 0 HG13 ILE B 126 10.033 8.806 8.900 1.00 0.74 H new ATOM 0 HG21 ILE B 126 7.139 8.087 6.691 1.00 0.97 H new ATOM 0 HG22 ILE B 126 5.909 8.605 7.868 1.00 0.97 H new ATOM 0 HG23 ILE B 126 6.947 9.814 7.075 1.00 0.97 H new ATOM 0 HD11 ILE B 126 10.761 8.241 6.639 1.00 0.79 H new ATOM 0 HD12 ILE B 126 9.708 6.964 7.294 1.00 0.79 H new ATOM 0 HD13 ILE B 126 9.067 8.125 6.107 1.00 0.79 H new ATOM 1585 N CYS B 127 5.347 10.236 10.449 1.00 0.58 N ATOM 1586 CA CYS B 127 4.043 9.979 11.078 1.00 0.60 C ATOM 1587 C CYS B 127 2.918 10.353 10.122 1.00 0.59 C ATOM 1588 O CYS B 127 2.821 11.506 9.703 1.00 0.64 O ATOM 1589 CB CYS B 127 3.883 10.791 12.368 1.00 0.66 C ATOM 1590 SG CYS B 127 3.045 9.919 13.735 1.00 1.19 S ATOM 0 H CYS B 127 5.458 11.178 10.073 1.00 0.58 H new ATOM 0 HA CYS B 127 3.994 8.917 11.317 1.00 0.60 H new ATOM 0 HB2 CYS B 127 4.871 11.102 12.708 1.00 0.66 H new ATOM 0 HB3 CYS B 127 3.324 11.699 12.140 1.00 0.66 H new ATOM 1595 N CYS B 128 2.077 9.389 9.761 1.00 0.63 N ATOM 1596 CA CYS B 128 0.991 9.680 8.828 1.00 0.64 C ATOM 1597 C CYS B 128 -0.370 9.182 9.333 1.00 0.70 C ATOM 1598 O CYS B 128 -0.509 8.013 9.679 1.00 1.00 O ATOM 1599 CB CYS B 128 1.282 9.068 7.445 1.00 0.77 C ATOM 1600 SG CYS B 128 3.008 8.533 7.188 1.00 1.12 S ATOM 0 H CYS B 128 2.122 8.424 10.089 1.00 0.63 H new ATOM 0 HA CYS B 128 0.937 10.766 8.746 1.00 0.64 H new ATOM 0 HB2 CYS B 128 0.626 8.210 7.298 1.00 0.77 H new ATOM 0 HB3 CYS B 128 1.026 9.800 6.679 1.00 0.77 H new ATOM 1605 N GLY B 129 -1.389 10.064 9.351 1.00 0.69 N ATOM 1606 CA GLY B 129 -2.678 9.652 9.776 1.00 0.76 C ATOM 1607 C GLY B 129 -3.639 9.498 8.610 1.00 0.77 C ATOM 1608 O GLY B 129 -3.249 9.486 7.447 1.00 0.78 O ATOM 0 H GLY B 129 -1.316 11.043 9.075 1.00 0.69 H new ATOM 0 HA2 GLY B 129 -2.599 8.704 10.308 1.00 0.76 H new ATOM 0 HA3 GLY B 129 -3.077 10.381 10.481 1.00 0.76 H new ATOM 1612 N ASP B 130 -4.890 9.338 8.941 1.00 0.82 N ATOM 1613 CA ASP B 130 -5.925 9.120 7.956 1.00 0.92 C ATOM 1614 C ASP B 130 -6.208 10.365 7.129 1.00 0.97 C ATOM 1615 O ASP B 130 -6.211 10.315 5.899 1.00 1.13 O ATOM 1616 CB ASP B 130 -7.201 8.626 8.641 1.00 1.00 C ATOM 1617 CG ASP B 130 -8.252 8.222 7.627 1.00 1.74 C ATOM 1618 OD1 ASP B 130 -8.613 9.069 6.777 1.00 2.18 O ATOM 1619 OD2 ASP B 130 -8.696 7.058 7.659 1.00 2.63 O ATOM 0 H ASP B 130 -5.227 9.354 9.904 1.00 0.82 H new ATOM 0 HA ASP B 130 -5.566 8.357 7.265 1.00 0.92 H new ATOM 0 HB2 ASP B 130 -6.966 7.776 9.282 1.00 1.00 H new ATOM 0 HB3 ASP B 130 -7.597 9.411 9.285 1.00 1.00 H new ATOM 1624 N GLU B 131 -6.445 11.471 7.825 1.00 0.94 N ATOM 1625 CA GLU B 131 -6.728 12.752 7.199 1.00 1.02 C ATOM 1626 C GLU B 131 -5.784 13.782 7.752 1.00 0.95 C ATOM 1627 O GLU B 131 -6.104 14.975 7.795 1.00 1.05 O ATOM 1628 CB GLU B 131 -8.177 13.210 7.481 1.00 1.15 C ATOM 1629 CG GLU B 131 -9.002 12.192 8.216 1.00 1.17 C ATOM 1630 CD GLU B 131 -10.471 12.567 8.258 1.00 1.51 C ATOM 1631 OE1 GLU B 131 -10.816 13.566 8.933 1.00 1.84 O ATOM 1632 OE2 GLU B 131 -11.280 11.876 7.606 1.00 2.10 O ATOM 0 H GLU B 131 -6.446 11.502 8.845 1.00 0.94 H new ATOM 0 HA GLU B 131 -6.602 12.642 6.122 1.00 1.02 H new ATOM 0 HB2 GLU B 131 -8.150 14.131 8.063 1.00 1.15 H new ATOM 0 HB3 GLU B 131 -8.665 13.445 6.535 1.00 1.15 H new ATOM 0 HG2 GLU B 131 -8.890 11.220 7.735 1.00 1.17 H new ATOM 0 HG3 GLU B 131 -8.626 12.088 9.234 1.00 1.17 H new ATOM 1639 N LEU B 132 -4.599 13.329 8.116 1.00 0.82 N ATOM 1640 CA LEU B 132 -3.603 14.181 8.596 1.00 0.79 C ATOM 1641 C LEU B 132 -2.364 13.917 7.764 1.00 0.74 C ATOM 1642 O LEU B 132 -1.386 14.656 7.833 1.00 0.84 O ATOM 1643 CB LEU B 132 -3.428 13.896 10.054 1.00 0.77 C ATOM 1644 CG LEU B 132 -4.128 14.899 10.984 1.00 0.86 C ATOM 1645 CD1 LEU B 132 -4.249 14.337 12.384 1.00 0.95 C ATOM 1646 CD2 LEU B 132 -3.434 16.259 10.997 1.00 0.98 C ATOM 0 H LEU B 132 -4.328 12.346 8.075 1.00 0.82 H new ATOM 0 HA LEU B 132 -3.843 15.241 8.507 1.00 0.79 H new ATOM 0 HB2 LEU B 132 -3.808 12.897 10.265 1.00 0.77 H new ATOM 0 HB3 LEU B 132 -2.363 13.887 10.285 1.00 0.77 H new ATOM 0 HG LEU B 132 -5.130 15.060 10.588 1.00 0.86 H new ATOM 0 HD11 LEU B 132 -4.747 15.063 13.026 1.00 0.95 H new ATOM 0 HD12 LEU B 132 -4.832 13.416 12.357 1.00 0.95 H new ATOM 0 HD13 LEU B 132 -3.255 14.126 12.779 1.00 0.95 H new ATOM 0 HD21 LEU B 132 -3.966 16.933 11.669 1.00 0.98 H new ATOM 0 HD22 LEU B 132 -2.407 16.140 11.341 1.00 0.98 H new ATOM 0 HD23 LEU B 132 -3.433 16.677 9.990 1.00 0.98 H new ATOM 1658 N GLY B 133 -2.449 12.862 6.918 1.00 0.68 N ATOM 1659 CA GLY B 133 -1.378 12.548 6.029 1.00 0.67 C ATOM 1660 C GLY B 133 -0.093 12.200 6.725 1.00 0.59 C ATOM 1661 O GLY B 133 -0.106 11.438 7.680 1.00 0.66 O ATOM 0 H GLY B 133 -3.253 12.238 6.856 1.00 0.68 H new ATOM 0 HA2 GLY B 133 -1.676 11.711 5.397 1.00 0.67 H new ATOM 0 HA3 GLY B 133 -1.204 13.399 5.370 1.00 0.67 H new ATOM 1665 N CYS B 134 1.033 12.723 6.242 1.00 0.60 N ATOM 1666 CA CYS B 134 2.316 12.383 6.855 1.00 0.57 C ATOM 1667 C CYS B 134 3.221 13.556 7.096 1.00 0.57 C ATOM 1668 O CYS B 134 3.580 14.280 6.180 1.00 0.61 O ATOM 1669 CB CYS B 134 3.056 11.362 6.023 1.00 0.65 C ATOM 1670 SG CYS B 134 4.090 10.251 7.022 1.00 0.96 S ATOM 0 H CYS B 134 1.085 13.365 5.451 1.00 0.60 H new ATOM 0 HA CYS B 134 2.056 11.975 7.832 1.00 0.57 H new ATOM 0 HB2 CYS B 134 2.336 10.770 5.458 1.00 0.65 H new ATOM 0 HB3 CYS B 134 3.683 11.879 5.296 1.00 0.65 H new ATOM 1675 N PHE B 135 3.655 13.670 8.345 1.00 0.57 N ATOM 1676 CA PHE B 135 4.592 14.686 8.716 1.00 0.58 C ATOM 1677 C PHE B 135 5.919 13.982 8.739 1.00 0.53 C ATOM 1678 O PHE B 135 6.215 13.266 9.698 1.00 0.50 O ATOM 1679 CB PHE B 135 4.236 15.187 10.122 1.00 0.60 C ATOM 1680 CG PHE B 135 2.821 15.654 10.256 1.00 0.72 C ATOM 1681 CD1 PHE B 135 1.774 14.753 10.165 1.00 1.39 C ATOM 1682 CD2 PHE B 135 2.537 16.992 10.458 1.00 1.54 C ATOM 1683 CE1 PHE B 135 0.466 15.177 10.268 1.00 1.66 C ATOM 1684 CE2 PHE B 135 1.231 17.424 10.566 1.00 1.84 C ATOM 1685 CZ PHE B 135 0.193 16.517 10.468 1.00 1.54 C ATOM 0 H PHE B 135 3.363 13.062 9.110 1.00 0.57 H new ATOM 0 HA PHE B 135 4.596 15.542 8.041 1.00 0.58 H new ATOM 0 HB2 PHE B 135 4.414 14.386 10.839 1.00 0.60 H new ATOM 0 HB3 PHE B 135 4.906 16.005 10.386 1.00 0.60 H new ATOM 0 HD1 PHE B 135 1.984 13.705 10.011 1.00 1.39 H new ATOM 0 HD2 PHE B 135 3.345 17.705 10.532 1.00 1.54 H new ATOM 0 HE1 PHE B 135 -0.342 14.465 10.193 1.00 1.66 H new ATOM 0 HE2 PHE B 135 1.020 18.471 10.727 1.00 1.84 H new ATOM 0 HZ PHE B 135 -0.830 16.855 10.548 1.00 1.54 H new ATOM 1695 N VAL B 136 6.703 14.167 7.678 1.00 0.56 N ATOM 1696 CA VAL B 136 7.968 13.505 7.590 1.00 0.54 C ATOM 1697 C VAL B 136 9.024 14.311 8.301 1.00 0.55 C ATOM 1698 O VAL B 136 9.631 15.250 7.765 1.00 0.59 O ATOM 1699 CB VAL B 136 8.367 13.195 6.127 1.00 0.58 C ATOM 1700 CG1 VAL B 136 9.650 12.374 6.089 1.00 0.59 C ATOM 1701 CG2 VAL B 136 7.203 12.504 5.404 1.00 0.60 C ATOM 0 H VAL B 136 6.473 14.766 6.885 1.00 0.56 H new ATOM 0 HA VAL B 136 7.878 12.540 8.088 1.00 0.54 H new ATOM 0 HB VAL B 136 8.572 14.125 5.597 1.00 0.58 H new ATOM 0 HG11 VAL B 136 9.917 12.164 5.053 1.00 0.59 H new ATOM 0 HG12 VAL B 136 10.455 12.934 6.565 1.00 0.59 H new ATOM 0 HG13 VAL B 136 9.497 11.435 6.621 1.00 0.59 H new ATOM 0 HG21 VAL B 136 7.490 12.289 4.375 1.00 0.60 H new ATOM 0 HG22 VAL B 136 6.959 11.573 5.915 1.00 0.60 H new ATOM 0 HG23 VAL B 136 6.332 13.159 5.408 1.00 0.60 H new ATOM 1711 N GLY B 137 9.187 13.923 9.555 1.00 0.55 N ATOM 1712 CA GLY B 137 10.148 14.544 10.447 1.00 0.61 C ATOM 1713 C GLY B 137 9.691 15.889 10.936 1.00 0.70 C ATOM 1714 O GLY B 137 10.045 16.922 10.364 1.00 1.33 O ATOM 0 H GLY B 137 8.654 13.166 9.983 1.00 0.55 H new ATOM 0 HA2 GLY B 137 10.322 13.890 11.301 1.00 0.61 H new ATOM 0 HA3 GLY B 137 11.101 14.653 9.930 1.00 0.61 H new ATOM 1718 N THR B 138 8.896 15.881 11.994 1.00 0.75 N ATOM 1719 CA THR B 138 8.374 17.109 12.547 1.00 0.77 C ATOM 1720 C THR B 138 8.142 16.982 14.045 1.00 0.82 C ATOM 1721 O THR B 138 8.195 15.884 14.603 1.00 0.89 O ATOM 1722 CB THR B 138 7.065 17.440 11.842 1.00 0.84 C ATOM 1723 OG1 THR B 138 6.038 16.571 12.285 1.00 1.48 O ATOM 1724 CG2 THR B 138 7.156 17.309 10.335 1.00 1.09 C ATOM 0 H THR B 138 8.601 15.036 12.483 1.00 0.75 H new ATOM 0 HA THR B 138 9.099 17.908 12.392 1.00 0.77 H new ATOM 0 HB THR B 138 6.845 18.478 12.090 1.00 0.84 H new ATOM 0 HG1 THR B 138 6.284 15.644 12.083 1.00 1.48 H new ATOM 0 HG21 THR B 138 6.193 17.558 9.889 1.00 1.09 H new ATOM 0 HG22 THR B 138 7.918 17.990 9.956 1.00 1.09 H new ATOM 0 HG23 THR B 138 7.423 16.285 10.074 1.00 1.09 H new ATOM 1732 N ALA B 139 7.868 18.108 14.689 1.00 0.94 N ATOM 1733 CA ALA B 139 7.605 18.117 16.122 1.00 1.08 C ATOM 1734 C ALA B 139 6.469 17.158 16.471 1.00 0.99 C ATOM 1735 O ALA B 139 6.403 16.633 17.583 1.00 1.10 O ATOM 1736 CB ALA B 139 7.273 19.533 16.580 1.00 1.30 C ATOM 0 H ALA B 139 7.822 19.025 14.244 1.00 0.94 H new ATOM 0 HA ALA B 139 8.501 17.779 16.643 1.00 1.08 H new ATOM 0 HB1 ALA B 139 7.078 19.532 17.652 1.00 1.30 H new ATOM 0 HB2 ALA B 139 8.115 20.192 16.365 1.00 1.30 H new ATOM 0 HB3 ALA B 139 6.389 19.889 16.050 1.00 1.30 H new ATOM 1742 N GLU B 140 5.573 16.942 15.512 1.00 0.91 N ATOM 1743 CA GLU B 140 4.423 16.061 15.709 1.00 0.92 C ATOM 1744 C GLU B 140 4.813 14.579 15.718 1.00 0.85 C ATOM 1745 O GLU B 140 4.155 13.763 16.366 1.00 0.99 O ATOM 1746 CB GLU B 140 3.385 16.310 14.614 1.00 0.98 C ATOM 1747 CG GLU B 140 2.591 17.592 14.810 1.00 1.40 C ATOM 1748 CD GLU B 140 3.233 18.782 14.124 1.00 1.92 C ATOM 1749 OE1 GLU B 140 4.446 18.715 13.831 1.00 2.51 O ATOM 1750 OE2 GLU B 140 2.525 19.782 13.881 1.00 2.53 O ATOM 0 H GLU B 140 5.621 17.367 14.586 1.00 0.91 H new ATOM 0 HA GLU B 140 4.003 16.295 16.688 1.00 0.92 H new ATOM 0 HB2 GLU B 140 3.889 16.349 13.648 1.00 0.98 H new ATOM 0 HB3 GLU B 140 2.695 15.467 14.580 1.00 0.98 H new ATOM 0 HG2 GLU B 140 1.582 17.454 14.422 1.00 1.40 H new ATOM 0 HG3 GLU B 140 2.497 17.798 15.876 1.00 1.40 H new ATOM 1757 N ALA B 141 5.877 14.235 15.002 1.00 0.77 N ATOM 1758 CA ALA B 141 6.344 12.864 14.930 1.00 0.80 C ATOM 1759 C ALA B 141 7.478 12.637 15.912 1.00 0.89 C ATOM 1760 O ALA B 141 8.000 11.532 16.022 1.00 0.98 O ATOM 1761 CB ALA B 141 6.785 12.534 13.509 1.00 0.87 C ATOM 0 H ALA B 141 6.434 14.896 14.460 1.00 0.77 H new ATOM 0 HA ALA B 141 5.524 12.199 15.200 1.00 0.80 H new ATOM 0 HB1 ALA B 141 7.134 11.502 13.467 1.00 0.87 H new ATOM 0 HB2 ALA B 141 5.943 12.661 12.828 1.00 0.87 H new ATOM 0 HB3 ALA B 141 7.594 13.203 13.215 1.00 0.87 H new ATOM 1767 N LEU B 142 7.856 13.692 16.634 1.00 0.98 N ATOM 1768 CA LEU B 142 8.923 13.593 17.610 1.00 1.17 C ATOM 1769 C LEU B 142 8.593 12.534 18.646 1.00 1.18 C ATOM 1770 O LEU B 142 9.478 11.847 19.155 1.00 1.27 O ATOM 1771 CB LEU B 142 9.146 14.945 18.283 1.00 1.35 C ATOM 1772 CG LEU B 142 10.447 15.635 17.894 1.00 1.57 C ATOM 1773 CD1 LEU B 142 10.434 17.095 18.322 1.00 1.99 C ATOM 1774 CD2 LEU B 142 11.635 14.905 18.501 1.00 2.02 C ATOM 0 H LEU B 142 7.436 14.618 16.557 1.00 0.98 H new ATOM 0 HA LEU B 142 9.841 13.302 17.099 1.00 1.17 H new ATOM 0 HB2 LEU B 142 8.312 15.602 18.035 1.00 1.35 H new ATOM 0 HB3 LEU B 142 9.132 14.806 19.364 1.00 1.35 H new ATOM 0 HG LEU B 142 10.542 15.604 16.809 1.00 1.57 H new ATOM 0 HD11 LEU B 142 11.373 17.567 18.034 1.00 1.99 H new ATOM 0 HD12 LEU B 142 9.605 17.609 17.836 1.00 1.99 H new ATOM 0 HD13 LEU B 142 10.314 17.156 19.404 1.00 1.99 H new ATOM 0 HD21 LEU B 142 12.557 15.410 18.214 1.00 2.02 H new ATOM 0 HD22 LEU B 142 11.545 14.904 19.587 1.00 2.02 H new ATOM 0 HD23 LEU B 142 11.655 13.878 18.137 1.00 2.02 H new ATOM 1786 N ARG B 143 7.310 12.395 18.942 1.00 1.16 N ATOM 1787 CA ARG B 143 6.861 11.405 19.900 1.00 1.25 C ATOM 1788 C ARG B 143 6.980 10.004 19.318 1.00 1.17 C ATOM 1789 O ARG B 143 6.808 9.020 20.032 1.00 1.30 O ATOM 1790 CB ARG B 143 5.419 11.675 20.321 1.00 1.34 C ATOM 1791 CG ARG B 143 4.423 11.601 19.174 1.00 1.53 C ATOM 1792 CD ARG B 143 3.303 12.616 19.340 1.00 2.42 C ATOM 1793 NE ARG B 143 2.330 12.201 20.350 1.00 2.68 N ATOM 1794 CZ ARG B 143 2.318 12.645 21.607 1.00 3.22 C ATOM 1795 NH1 ARG B 143 3.227 13.517 22.026 1.00 3.68 N ATOM 1796 NH2 ARG B 143 1.391 12.211 22.450 1.00 3.76 N ATOM 0 H ARG B 143 6.564 12.956 18.531 1.00 1.16 H new ATOM 0 HA ARG B 143 7.500 11.474 20.781 1.00 1.25 H new ATOM 0 HB2 ARG B 143 5.132 10.954 21.086 1.00 1.34 H new ATOM 0 HB3 ARG B 143 5.362 12.663 20.777 1.00 1.34 H new ATOM 0 HG2 ARG B 143 4.939 11.779 18.231 1.00 1.53 H new ATOM 0 HG3 ARG B 143 4.001 10.597 19.122 1.00 1.53 H new ATOM 0 HD2 ARG B 143 3.727 13.580 19.620 1.00 2.42 H new ATOM 0 HD3 ARG B 143 2.796 12.756 18.385 1.00 2.42 H new ATOM 0 HE ARG B 143 1.614 11.528 20.075 1.00 2.68 H new ATOM 0 HH11 ARG B 143 3.944 13.854 21.384 1.00 3.68 H new ATOM 0 HH12 ARG B 143 3.208 13.850 22.990 1.00 3.68 H new ATOM 0 HH21 ARG B 143 0.690 11.540 22.136 1.00 3.76 H new ATOM 0 HH22 ARG B 143 1.379 12.548 23.412 1.00 3.76 H new ATOM 1810 N CYS B 144 7.274 9.905 18.018 1.00 1.03 N ATOM 1811 CA CYS B 144 7.410 8.589 17.393 1.00 1.03 C ATOM 1812 C CYS B 144 8.661 7.864 17.886 1.00 1.18 C ATOM 1813 O CYS B 144 8.842 6.676 17.622 1.00 1.37 O ATOM 1814 CB CYS B 144 7.458 8.701 15.871 1.00 0.98 C ATOM 1815 SG CYS B 144 5.892 9.222 15.105 1.00 1.24 S ATOM 0 H CYS B 144 7.419 10.698 17.393 1.00 1.03 H new ATOM 0 HA CYS B 144 6.531 8.011 17.679 1.00 1.03 H new ATOM 0 HB2 CYS B 144 8.237 9.412 15.596 1.00 0.98 H new ATOM 0 HB3 CYS B 144 7.747 7.735 15.457 1.00 0.98 H new ATOM 1820 N GLN B 145 9.518 8.575 18.612 1.00 1.20 N ATOM 1821 CA GLN B 145 10.739 7.984 19.144 1.00 1.38 C ATOM 1822 C GLN B 145 10.422 6.738 19.978 1.00 1.59 C ATOM 1823 O GLN B 145 11.252 5.833 20.113 1.00 1.85 O ATOM 1824 CB GLN B 145 11.492 9.012 19.997 1.00 1.42 C ATOM 1825 CG GLN B 145 13.003 8.879 19.915 1.00 1.77 C ATOM 1826 CD GLN B 145 13.726 10.165 20.269 1.00 2.04 C ATOM 1827 OE1 GLN B 145 13.644 10.646 21.400 1.00 2.37 O ATOM 1828 NE2 GLN B 145 14.443 10.730 19.303 1.00 2.78 N ATOM 0 H GLN B 145 9.389 9.560 18.845 1.00 1.20 H new ATOM 0 HA GLN B 145 11.369 7.685 18.307 1.00 1.38 H new ATOM 0 HB2 GLN B 145 11.206 10.015 19.680 1.00 1.42 H new ATOM 0 HB3 GLN B 145 11.182 8.906 21.037 1.00 1.42 H new ATOM 0 HG2 GLN B 145 13.331 8.086 20.588 1.00 1.77 H new ATOM 0 HG3 GLN B 145 13.282 8.576 18.906 1.00 1.77 H new ATOM 0 HE21 GLN B 145 14.484 10.299 18.380 1.00 2.78 H new ATOM 0 HE22 GLN B 145 14.952 11.595 19.485 1.00 2.78 H new ATOM 1837 N GLU B 146 9.204 6.679 20.513 1.00 1.54 N ATOM 1838 CA GLU B 146 8.790 5.540 21.320 1.00 1.78 C ATOM 1839 C GLU B 146 8.252 4.430 20.436 1.00 1.70 C ATOM 1840 O GLU B 146 7.780 3.408 20.941 1.00 1.92 O ATOM 1841 CB GLU B 146 7.695 5.937 22.313 1.00 1.89 C ATOM 1842 CG GLU B 146 8.202 6.482 23.637 1.00 2.42 C ATOM 1843 CD GLU B 146 7.143 7.295 24.360 1.00 2.97 C ATOM 1844 OE1 GLU B 146 7.041 8.510 24.089 1.00 3.53 O ATOM 1845 OE2 GLU B 146 6.410 6.714 25.188 1.00 3.42 O ATOM 0 H GLU B 146 8.493 7.402 20.402 1.00 1.54 H new ATOM 0 HA GLU B 146 9.668 5.193 21.865 1.00 1.78 H new ATOM 0 HB2 GLU B 146 7.057 6.688 21.847 1.00 1.89 H new ATOM 0 HB3 GLU B 146 7.070 5.066 22.510 1.00 1.89 H new ATOM 0 HG2 GLU B 146 8.520 5.655 24.272 1.00 2.42 H new ATOM 0 HG3 GLU B 146 9.079 7.104 23.461 1.00 2.42 H new ATOM 1852 N GLU B 147 8.345 4.613 19.120 1.00 1.48 N ATOM 1853 CA GLU B 147 7.877 3.594 18.209 1.00 1.52 C ATOM 1854 C GLU B 147 8.940 2.514 18.091 1.00 1.90 C ATOM 1855 O GLU B 147 8.700 1.453 17.514 1.00 2.08 O ATOM 1856 CB GLU B 147 7.611 4.189 16.830 1.00 1.41 C ATOM 1857 CG GLU B 147 6.636 3.380 15.994 1.00 1.64 C ATOM 1858 CD GLU B 147 7.173 3.065 14.610 1.00 2.17 C ATOM 1859 OE1 GLU B 147 7.365 4.011 13.818 1.00 2.66 O ATOM 1860 OE2 GLU B 147 7.396 1.871 14.317 1.00 2.81 O ATOM 0 H GLU B 147 8.734 5.445 18.676 1.00 1.48 H new ATOM 0 HA GLU B 147 6.948 3.173 18.593 1.00 1.52 H new ATOM 0 HB2 GLU B 147 7.222 5.200 16.949 1.00 1.41 H new ATOM 0 HB3 GLU B 147 8.555 4.272 16.292 1.00 1.41 H new ATOM 0 HG2 GLU B 147 6.406 2.448 16.511 1.00 1.64 H new ATOM 0 HG3 GLU B 147 5.700 3.931 15.900 1.00 1.64 H new ATOM 1867 N ASN B 148 10.108 2.773 18.688 1.00 2.12 N ATOM 1868 CA ASN B 148 11.173 1.794 18.685 1.00 2.56 C ATOM 1869 C ASN B 148 10.816 0.677 19.663 1.00 2.84 C ATOM 1870 O ASN B 148 11.217 -0.468 19.484 1.00 3.19 O ATOM 1871 CB ASN B 148 12.502 2.441 19.071 1.00 2.71 C ATOM 1872 CG ASN B 148 13.516 2.424 17.941 1.00 2.95 C ATOM 1873 OD1 ASN B 148 13.721 1.404 17.281 1.00 3.23 O ATOM 1874 ND2 ASN B 148 14.156 3.563 17.711 1.00 3.48 N ATOM 0 H ASN B 148 10.328 3.644 19.171 1.00 2.12 H new ATOM 0 HA ASN B 148 11.285 1.381 17.682 1.00 2.56 H new ATOM 0 HB2 ASN B 148 12.323 3.472 19.377 1.00 2.71 H new ATOM 0 HB3 ASN B 148 12.917 1.920 19.933 1.00 2.71 H new ATOM 0 HD21 ASN B 148 14.848 3.617 16.964 1.00 3.48 H new ATOM 0 HD22 ASN B 148 13.956 4.385 18.281 1.00 3.48 H new ATOM 1881 N TYR B 149 10.038 1.029 20.695 1.00 2.75 N ATOM 1882 CA TYR B 149 9.601 0.062 21.702 1.00 3.10 C ATOM 1883 C TYR B 149 8.350 -0.701 21.240 1.00 3.28 C ATOM 1884 O TYR B 149 7.771 -1.470 22.005 1.00 3.65 O ATOM 1885 CB TYR B 149 9.295 0.797 23.014 1.00 3.16 C ATOM 1886 CG TYR B 149 10.282 0.512 24.118 1.00 3.64 C ATOM 1887 CD1 TYR B 149 11.650 0.604 23.892 1.00 4.35 C ATOM 1888 CD2 TYR B 149 9.846 0.148 25.387 1.00 3.91 C ATOM 1889 CE1 TYR B 149 12.555 0.334 24.899 1.00 5.08 C ATOM 1890 CE2 TYR B 149 10.746 -0.120 26.399 1.00 4.67 C ATOM 1891 CZ TYR B 149 12.098 -0.025 26.151 1.00 5.17 C ATOM 1892 OH TYR B 149 12.994 -0.292 27.154 1.00 6.08 O ATOM 0 H TYR B 149 9.700 1.978 20.852 1.00 2.75 H new ATOM 0 HA TYR B 149 10.403 -0.660 21.853 1.00 3.10 H new ATOM 0 HB2 TYR B 149 9.278 1.870 22.823 1.00 3.16 H new ATOM 0 HB3 TYR B 149 8.297 0.518 23.351 1.00 3.16 H new ATOM 0 HD1 TYR B 149 12.010 0.891 22.915 1.00 4.35 H new ATOM 0 HD2 TYR B 149 8.787 0.074 25.584 1.00 3.91 H new ATOM 0 HE1 TYR B 149 13.616 0.403 24.708 1.00 5.08 H new ATOM 0 HE2 TYR B 149 10.392 -0.403 27.380 1.00 4.67 H new ATOM 0 HH TYR B 149 12.509 -0.528 27.972 1.00 6.08 H new ATOM 1902 N LEU B 150 7.941 -0.489 19.987 1.00 3.14 N ATOM 1903 CA LEU B 150 6.759 -1.153 19.437 1.00 3.39 C ATOM 1904 C LEU B 150 7.061 -1.671 18.033 1.00 3.66 C ATOM 1905 O LEU B 150 6.985 -0.921 17.057 1.00 3.50 O ATOM 1906 CB LEU B 150 5.570 -0.182 19.394 1.00 3.09 C ATOM 1907 CG LEU B 150 4.905 0.091 20.750 1.00 3.06 C ATOM 1908 CD1 LEU B 150 5.399 1.408 21.328 1.00 3.04 C ATOM 1909 CD2 LEU B 150 3.384 0.103 20.626 1.00 3.52 C ATOM 0 H LEU B 150 8.412 0.138 19.334 1.00 3.14 H new ATOM 0 HA LEU B 150 6.499 -1.993 20.080 1.00 3.39 H new ATOM 0 HB2 LEU B 150 5.909 0.766 18.976 1.00 3.09 H new ATOM 0 HB3 LEU B 150 4.819 -0.581 18.712 1.00 3.09 H new ATOM 0 HG LEU B 150 5.182 -0.716 21.428 1.00 3.06 H new ATOM 0 HD11 LEU B 150 4.918 1.587 22.290 1.00 3.04 H new ATOM 0 HD12 LEU B 150 6.479 1.362 21.466 1.00 3.04 H new ATOM 0 HD13 LEU B 150 5.155 2.220 20.643 1.00 3.04 H new ATOM 0 HD21 LEU B 150 2.941 0.299 21.602 1.00 3.52 H new ATOM 0 HD22 LEU B 150 3.082 0.883 19.927 1.00 3.52 H new ATOM 0 HD23 LEU B 150 3.041 -0.865 20.259 1.00 3.52 H new ATOM 1921 N PRO B 151 7.420 -2.963 17.916 1.00 4.24 N ATOM 1922 CA PRO B 151 7.750 -3.584 16.633 1.00 4.65 C ATOM 1923 C PRO B 151 6.523 -4.099 15.888 1.00 4.75 C ATOM 1924 O PRO B 151 6.606 -5.062 15.126 1.00 5.28 O ATOM 1925 CB PRO B 151 8.646 -4.746 17.054 1.00 5.27 C ATOM 1926 CG PRO B 151 8.124 -5.160 18.389 1.00 5.29 C ATOM 1927 CD PRO B 151 7.547 -3.921 19.032 1.00 4.68 C ATOM 0 HA PRO B 151 8.212 -2.881 15.940 1.00 4.65 H new ATOM 0 HB2 PRO B 151 8.595 -5.566 16.337 1.00 5.27 H new ATOM 0 HB3 PRO B 151 9.690 -4.440 17.114 1.00 5.27 H new ATOM 0 HG2 PRO B 151 7.362 -5.932 18.284 1.00 5.29 H new ATOM 0 HG3 PRO B 151 8.921 -5.580 19.003 1.00 5.29 H new ATOM 0 HD2 PRO B 151 6.581 -4.125 19.495 1.00 4.68 H new ATOM 0 HD3 PRO B 151 8.201 -3.537 19.815 1.00 4.68 H new ATOM 1935 N SER B 152 5.387 -3.449 16.104 1.00 4.36 N ATOM 1936 CA SER B 152 4.151 -3.842 15.446 1.00 4.55 C ATOM 1937 C SER B 152 3.417 -2.619 14.917 1.00 3.94 C ATOM 1938 O SER B 152 3.005 -1.754 15.693 1.00 3.90 O ATOM 1939 CB SER B 152 3.245 -4.601 16.414 1.00 5.07 C ATOM 1940 OG SER B 152 2.632 -3.716 17.334 1.00 5.57 O ATOM 0 H SER B 152 5.297 -2.648 16.729 1.00 4.36 H new ATOM 0 HA SER B 152 4.406 -4.495 14.611 1.00 4.55 H new ATOM 0 HB2 SER B 152 2.479 -5.139 15.855 1.00 5.07 H new ATOM 0 HB3 SER B 152 3.828 -5.347 16.954 1.00 5.07 H new ATOM 0 HG SER B 152 2.923 -2.799 17.149 1.00 5.57 H new ATOM 1946 N PRO B 153 3.230 -2.530 13.591 1.00 3.82 N ATOM 1947 CA PRO B 153 2.528 -1.407 12.983 1.00 3.57 C ATOM 1948 C PRO B 153 1.046 -1.441 13.315 1.00 3.11 C ATOM 1949 O PRO B 153 0.604 -2.207 14.174 1.00 3.34 O ATOM 1950 CB PRO B 153 2.741 -1.619 11.481 1.00 4.14 C ATOM 1951 CG PRO B 153 2.951 -3.084 11.337 1.00 4.53 C ATOM 1952 CD PRO B 153 3.670 -3.516 12.585 1.00 4.37 C ATOM 0 HA PRO B 153 2.895 -0.444 13.339 1.00 3.57 H new ATOM 0 HB2 PRO B 153 1.877 -1.284 10.907 1.00 4.14 H new ATOM 0 HB3 PRO B 153 3.602 -1.057 11.119 1.00 4.14 H new ATOM 0 HG2 PRO B 153 2.001 -3.607 11.231 1.00 4.53 H new ATOM 0 HG3 PRO B 153 3.540 -3.310 10.448 1.00 4.53 H new ATOM 0 HD2 PRO B 153 3.400 -4.532 12.873 1.00 4.37 H new ATOM 0 HD3 PRO B 153 4.752 -3.499 12.452 1.00 4.37 H new ATOM 1960 N CYS B 154 0.283 -0.622 12.622 1.00 2.92 N ATOM 1961 CA CYS B 154 -1.154 -0.562 12.822 1.00 2.61 C ATOM 1962 C CYS B 154 -1.854 -0.776 11.488 1.00 2.49 C ATOM 1963 O CYS B 154 -2.083 0.197 10.771 1.00 2.70 O ATOM 1964 CB CYS B 154 -1.532 0.809 13.394 1.00 2.77 C ATOM 1965 SG CYS B 154 -3.086 0.816 14.335 1.00 2.71 S ATOM 0 H CYS B 154 0.635 0.017 11.909 1.00 2.92 H new ATOM 0 HA CYS B 154 -1.463 -1.339 13.521 1.00 2.61 H new ATOM 0 HB2 CYS B 154 -0.726 1.156 14.041 1.00 2.77 H new ATOM 0 HB3 CYS B 154 -1.613 1.523 12.575 1.00 2.77 H new ATOM 1970 N GLN B 155 -2.186 -2.027 11.110 1.00 2.45 N ATOM 1971 CA GLN B 155 -2.829 -2.213 9.811 1.00 2.67 C ATOM 1972 C GLN B 155 -1.954 -1.589 8.700 1.00 2.49 C ATOM 1973 O GLN B 155 -0.990 -2.213 8.256 1.00 3.03 O ATOM 1974 CB GLN B 155 -4.231 -1.590 9.829 1.00 3.17 C ATOM 1975 CG GLN B 155 -5.049 -1.903 8.591 1.00 3.68 C ATOM 1976 CD GLN B 155 -6.226 -0.969 8.427 1.00 4.29 C ATOM 1977 OE1 GLN B 155 -6.053 0.231 8.211 1.00 4.69 O ATOM 1978 NE2 GLN B 155 -7.431 -1.514 8.531 1.00 4.77 N ATOM 0 H GLN B 155 -2.028 -2.874 11.656 1.00 2.45 H new ATOM 0 HA GLN B 155 -2.934 -3.278 9.604 1.00 2.67 H new ATOM 0 HB2 GLN B 155 -4.767 -1.947 10.709 1.00 3.17 H new ATOM 0 HB3 GLN B 155 -4.138 -0.509 9.929 1.00 3.17 H new ATOM 0 HG2 GLN B 155 -4.410 -1.836 7.710 1.00 3.68 H new ATOM 0 HG3 GLN B 155 -5.409 -2.930 8.647 1.00 3.68 H new ATOM 0 HE21 GLN B 155 -7.525 -2.514 8.711 1.00 4.77 H new ATOM 0 HE22 GLN B 155 -8.264 -0.933 8.431 1.00 4.77 H new ATOM 1987 N SER B 156 -2.290 -0.355 8.274 1.00 2.26 N ATOM 1988 CA SER B 156 -1.535 0.376 7.244 1.00 2.32 C ATOM 1989 C SER B 156 -2.120 0.133 5.866 1.00 2.09 C ATOM 1990 O SER B 156 -2.478 -0.993 5.530 1.00 2.50 O ATOM 1991 CB SER B 156 -0.049 0.002 7.269 1.00 3.31 C ATOM 1992 OG SER B 156 0.745 1.055 6.755 1.00 3.90 O ATOM 0 H SER B 156 -3.092 0.160 8.636 1.00 2.26 H new ATOM 0 HA SER B 156 -1.619 1.439 7.471 1.00 2.32 H new ATOM 0 HB2 SER B 156 0.256 -0.224 8.291 1.00 3.31 H new ATOM 0 HB3 SER B 156 0.113 -0.901 6.681 1.00 3.31 H new ATOM 0 HG SER B 156 0.844 1.752 7.436 1.00 3.90 H new ATOM 1998 N GLY B 157 -2.221 1.193 5.069 1.00 2.15 N ATOM 1999 CA GLY B 157 -2.771 1.053 3.744 1.00 2.38 C ATOM 2000 C GLY B 157 -1.931 0.129 2.906 1.00 2.33 C ATOM 2001 O GLY B 157 -0.744 0.370 2.690 1.00 2.89 O ATOM 0 H GLY B 157 -1.932 2.138 5.320 1.00 2.15 H new ATOM 0 HA2 GLY B 157 -3.789 0.668 3.808 1.00 2.38 H new ATOM 0 HA3 GLY B 157 -2.830 2.031 3.266 1.00 2.38 H new ATOM 2005 N GLN B 158 -2.544 -0.936 2.437 1.00 2.09 N ATOM 2006 CA GLN B 158 -1.840 -1.913 1.619 1.00 2.38 C ATOM 2007 C GLN B 158 -1.740 -1.425 0.188 1.00 2.25 C ATOM 2008 O GLN B 158 -2.201 -2.076 -0.752 1.00 2.91 O ATOM 2009 CB GLN B 158 -2.631 -3.236 1.652 1.00 3.24 C ATOM 2010 CG GLN B 158 -1.825 -4.449 2.078 1.00 3.91 C ATOM 2011 CD GLN B 158 -2.326 -5.067 3.375 1.00 4.77 C ATOM 2012 OE1 GLN B 158 -1.734 -4.875 4.435 1.00 5.47 O ATOM 2013 NE2 GLN B 158 -3.423 -5.819 3.298 1.00 5.10 N ATOM 0 H GLN B 158 -3.527 -1.152 2.605 1.00 2.09 H new ATOM 0 HA GLN B 158 -0.833 -2.059 2.010 1.00 2.38 H new ATOM 0 HB2 GLN B 158 -3.475 -3.121 2.332 1.00 3.24 H new ATOM 0 HB3 GLN B 158 -3.043 -3.421 0.660 1.00 3.24 H new ATOM 0 HG2 GLN B 158 -1.860 -5.198 1.287 1.00 3.91 H new ATOM 0 HG3 GLN B 158 -0.781 -4.161 2.198 1.00 3.91 H new ATOM 0 HE21 GLN B 158 -3.886 -5.955 2.399 1.00 5.10 H new ATOM 0 HE22 GLN B 158 -3.800 -6.259 4.138 1.00 5.10 H new ATOM 2022 N LYS B 159 -1.095 -0.285 0.037 1.00 1.99 N ATOM 2023 CA LYS B 159 -0.833 0.285 -1.263 1.00 2.40 C ATOM 2024 C LYS B 159 0.658 0.341 -1.558 1.00 2.15 C ATOM 2025 O LYS B 159 1.169 1.429 -1.803 1.00 2.09 O ATOM 2026 CB LYS B 159 -1.486 1.637 -1.396 1.00 3.07 C ATOM 2027 CG LYS B 159 -2.923 1.517 -1.856 1.00 3.85 C ATOM 2028 CD LYS B 159 -3.865 1.621 -0.681 1.00 4.58 C ATOM 2029 CE LYS B 159 -5.297 1.307 -1.070 1.00 5.27 C ATOM 2030 NZ LYS B 159 -5.404 0.116 -1.952 1.00 6.05 N ATOM 0 H LYS B 159 -0.739 0.270 0.815 1.00 1.99 H new ATOM 0 HA LYS B 159 -1.277 -0.369 -2.014 1.00 2.40 H new ATOM 0 HB2 LYS B 159 -1.452 2.154 -0.437 1.00 3.07 H new ATOM 0 HB3 LYS B 159 -0.925 2.245 -2.106 1.00 3.07 H new ATOM 0 HG2 LYS B 159 -3.146 2.302 -2.579 1.00 3.85 H new ATOM 0 HG3 LYS B 159 -3.070 0.564 -2.364 1.00 3.85 H new ATOM 0 HD2 LYS B 159 -3.544 0.935 0.103 1.00 4.58 H new ATOM 0 HD3 LYS B 159 -3.815 2.627 -0.264 1.00 4.58 H new ATOM 0 HE2 LYS B 159 -5.886 1.140 -0.168 1.00 5.27 H new ATOM 0 HE3 LYS B 159 -5.729 2.170 -1.577 1.00 5.27 H new ATOM 0 HZ1 LYS B 159 -6.392 -0.206 -1.982 1.00 6.05 H new ATOM 0 HZ2 LYS B 159 -5.092 0.366 -2.912 1.00 6.05 H new ATOM 0 HZ3 LYS B 159 -4.803 -0.647 -1.580 1.00 6.05 H new ATOM 2044 N PRO B 160 1.420 -0.757 -1.499 1.00 2.10 N ATOM 2045 CA PRO B 160 2.860 -0.685 -1.753 1.00 2.03 C ATOM 2046 C PRO B 160 3.215 -0.237 -3.173 1.00 2.17 C ATOM 2047 O PRO B 160 3.437 -1.064 -4.060 1.00 2.53 O ATOM 2048 CB PRO B 160 3.355 -2.116 -1.532 1.00 2.20 C ATOM 2049 CG PRO B 160 2.131 -2.955 -1.695 1.00 2.33 C ATOM 2050 CD PRO B 160 1.001 -2.121 -1.147 1.00 2.24 C ATOM 0 HA PRO B 160 3.319 0.057 -1.099 1.00 2.03 H new ATOM 0 HB2 PRO B 160 4.124 -2.388 -2.255 1.00 2.20 H new ATOM 0 HB3 PRO B 160 3.792 -2.238 -0.541 1.00 2.20 H new ATOM 0 HG2 PRO B 160 1.963 -3.206 -2.742 1.00 2.33 H new ATOM 0 HG3 PRO B 160 2.224 -3.896 -1.153 1.00 2.33 H new ATOM 0 HD2 PRO B 160 0.045 -2.383 -1.601 1.00 2.24 H new ATOM 0 HD3 PRO B 160 0.888 -2.247 -0.070 1.00 2.24 H new ATOM 2058 N CYS B 161 3.267 1.069 -3.374 1.00 2.03 N ATOM 2059 CA CYS B 161 3.603 1.660 -4.673 1.00 2.15 C ATOM 2060 C CYS B 161 4.979 2.307 -4.602 1.00 2.12 C ATOM 2061 O CYS B 161 5.610 2.291 -3.548 1.00 2.08 O ATOM 2062 CB CYS B 161 2.533 2.690 -5.043 1.00 2.24 C ATOM 2063 SG CYS B 161 2.920 4.409 -4.558 1.00 2.10 S ATOM 0 H CYS B 161 3.078 1.756 -2.644 1.00 2.03 H new ATOM 0 HA CYS B 161 3.630 0.887 -5.441 1.00 2.15 H new ATOM 0 HB2 CYS B 161 2.376 2.659 -6.121 1.00 2.24 H new ATOM 0 HB3 CYS B 161 1.592 2.399 -4.576 1.00 2.24 H new ATOM 2068 N GLY B 162 5.448 2.903 -5.694 1.00 2.23 N ATOM 2069 CA GLY B 162 6.745 3.548 -5.621 1.00 2.26 C ATOM 2070 C GLY B 162 7.855 2.545 -5.417 1.00 2.35 C ATOM 2071 O GLY B 162 7.678 1.361 -5.704 1.00 2.45 O ATOM 0 H GLY B 162 4.974 2.951 -6.596 1.00 2.23 H new ATOM 0 HA2 GLY B 162 6.925 4.109 -6.538 1.00 2.26 H new ATOM 0 HA3 GLY B 162 6.749 4.267 -4.802 1.00 2.26 H new ATOM 2075 N SER B 163 9.009 3.014 -4.947 1.00 2.41 N ATOM 2076 CA SER B 163 10.149 2.140 -4.723 1.00 2.58 C ATOM 2077 C SER B 163 10.002 1.347 -3.421 1.00 2.47 C ATOM 2078 O SER B 163 10.963 1.201 -2.665 1.00 2.62 O ATOM 2079 CB SER B 163 11.438 2.968 -4.676 1.00 2.76 C ATOM 2080 OG SER B 163 11.784 3.448 -5.961 1.00 3.26 O ATOM 0 H SER B 163 9.175 3.993 -4.715 1.00 2.41 H new ATOM 0 HA SER B 163 10.194 1.431 -5.550 1.00 2.58 H new ATOM 0 HB2 SER B 163 11.309 3.808 -3.993 1.00 2.76 H new ATOM 0 HB3 SER B 163 12.251 2.358 -4.281 1.00 2.76 H new ATOM 0 HG SER B 163 12.609 3.974 -5.903 1.00 3.26 H new ATOM 2086 N GLY B 164 8.799 0.813 -3.179 1.00 2.30 N ATOM 2087 CA GLY B 164 8.566 0.012 -1.983 1.00 2.22 C ATOM 2088 C GLY B 164 7.730 0.702 -0.910 1.00 2.00 C ATOM 2089 O GLY B 164 7.730 0.265 0.242 1.00 2.07 O ATOM 0 H GLY B 164 7.987 0.921 -3.787 1.00 2.30 H new ATOM 0 HA2 GLY B 164 8.069 -0.914 -2.273 1.00 2.22 H new ATOM 0 HA3 GLY B 164 9.529 -0.264 -1.553 1.00 2.22 H new ATOM 2093 N GLY B 165 7.036 1.782 -1.263 1.00 1.83 N ATOM 2094 CA GLY B 165 6.235 2.486 -0.277 1.00 1.66 C ATOM 2095 C GLY B 165 4.742 2.228 -0.380 1.00 1.60 C ATOM 2096 O GLY B 165 4.163 2.284 -1.462 1.00 1.73 O ATOM 0 H GLY B 165 7.014 2.178 -2.203 1.00 1.83 H new ATOM 0 HA2 GLY B 165 6.573 2.200 0.719 1.00 1.66 H new ATOM 0 HA3 GLY B 165 6.414 3.556 -0.379 1.00 1.66 H new ATOM 2100 N ARG B 166 4.125 1.972 0.773 1.00 1.51 N ATOM 2101 CA ARG B 166 2.686 1.739 0.856 1.00 1.53 C ATOM 2102 C ARG B 166 1.952 3.016 1.208 1.00 1.31 C ATOM 2103 O ARG B 166 2.551 3.944 1.743 1.00 1.17 O ATOM 2104 CB ARG B 166 2.326 0.669 1.864 1.00 1.71 C ATOM 2105 CG ARG B 166 3.058 0.832 3.190 1.00 1.71 C ATOM 2106 CD ARG B 166 4.333 0.023 3.221 1.00 1.81 C ATOM 2107 NE ARG B 166 4.056 -1.401 3.192 1.00 2.23 N ATOM 2108 CZ ARG B 166 4.989 -2.335 3.297 1.00 2.68 C ATOM 2109 NH1 ARG B 166 6.268 -1.992 3.435 1.00 2.81 N ATOM 2110 NH2 ARG B 166 4.638 -3.611 3.264 1.00 3.34 N ATOM 0 H ARG B 166 4.607 1.921 1.671 1.00 1.51 H new ATOM 0 HA ARG B 166 2.378 1.392 -0.130 1.00 1.53 H new ATOM 0 HB2 ARG B 166 1.251 0.693 2.043 1.00 1.71 H new ATOM 0 HB3 ARG B 166 2.558 -0.310 1.445 1.00 1.71 H new ATOM 0 HG2 ARG B 166 3.290 1.885 3.352 1.00 1.71 H new ATOM 0 HG3 ARG B 166 2.407 0.519 4.007 1.00 1.71 H new ATOM 0 HD2 ARG B 166 4.957 0.291 2.369 1.00 1.81 H new ATOM 0 HD3 ARG B 166 4.899 0.267 4.120 1.00 1.81 H new ATOM 0 HE ARG B 166 3.087 -1.700 3.085 1.00 2.23 H new ATOM 0 HH11 ARG B 166 6.532 -1.007 3.460 1.00 2.81 H new ATOM 0 HH12 ARG B 166 6.984 -2.714 3.516 1.00 2.81 H new ATOM 0 HH21 ARG B 166 3.656 -3.867 3.158 1.00 3.34 H new ATOM 0 HH22 ARG B 166 5.349 -4.338 3.344 1.00 3.34 H new ATOM 2124 N CYS B 167 0.655 3.085 0.901 1.00 1.34 N ATOM 2125 CA CYS B 167 -0.086 4.275 1.206 1.00 1.20 C ATOM 2126 C CYS B 167 -0.258 4.388 2.706 1.00 1.14 C ATOM 2127 O CYS B 167 -1.051 3.661 3.296 1.00 1.31 O ATOM 2128 CB CYS B 167 -1.440 4.238 0.513 1.00 1.39 C ATOM 2129 SG CYS B 167 -2.322 5.827 0.488 1.00 1.61 S ATOM 0 H CYS B 167 0.121 2.341 0.452 1.00 1.34 H new ATOM 0 HA CYS B 167 0.459 5.147 0.845 1.00 1.20 H new ATOM 0 HB2 CYS B 167 -1.299 3.900 -0.514 1.00 1.39 H new ATOM 0 HB3 CYS B 167 -2.067 3.497 1.009 1.00 1.39 H new ATOM 2134 N ALA B 168 0.478 5.297 3.314 1.00 1.01 N ATOM 2135 CA ALA B 168 0.400 5.483 4.760 1.00 1.10 C ATOM 2136 C ALA B 168 -0.609 6.564 5.111 1.00 1.08 C ATOM 2137 O ALA B 168 -1.079 6.654 6.246 1.00 1.22 O ATOM 2138 CB ALA B 168 1.779 5.844 5.331 1.00 1.13 C ATOM 0 H ALA B 168 1.134 5.917 2.839 1.00 1.01 H new ATOM 0 HA ALA B 168 0.070 4.544 5.204 1.00 1.10 H new ATOM 0 HB1 ALA B 168 1.702 5.979 6.410 1.00 1.13 H new ATOM 0 HB2 ALA B 168 2.484 5.041 5.115 1.00 1.13 H new ATOM 0 HB3 ALA B 168 2.131 6.769 4.874 1.00 1.13 H new ATOM 2144 N ALA B 169 -0.929 7.386 4.124 1.00 0.96 N ATOM 2145 CA ALA B 169 -1.882 8.507 4.327 1.00 1.01 C ATOM 2146 C ALA B 169 -2.352 9.077 2.960 1.00 1.04 C ATOM 2147 O ALA B 169 -1.747 8.767 1.939 1.00 0.99 O ATOM 2148 CB ALA B 169 -1.244 9.590 5.196 1.00 1.02 C ATOM 0 H ALA B 169 -0.556 7.314 3.177 1.00 0.96 H new ATOM 0 HA ALA B 169 -2.763 8.133 4.848 1.00 1.01 H new ATOM 0 HB1 ALA B 169 -1.952 10.407 5.338 1.00 1.02 H new ATOM 0 HB2 ALA B 169 -0.977 9.169 6.165 1.00 1.02 H new ATOM 0 HB3 ALA B 169 -0.347 9.969 4.706 1.00 1.02 H new ATOM 2154 N ALA B 170 -3.442 9.888 2.907 1.00 1.17 N ATOM 2155 CA ALA B 170 -3.933 10.401 1.594 1.00 1.28 C ATOM 2156 C ALA B 170 -2.853 10.964 0.687 1.00 1.25 C ATOM 2157 O ALA B 170 -2.164 11.930 1.017 1.00 1.63 O ATOM 2158 CB ALA B 170 -5.024 11.467 1.661 1.00 1.50 C ATOM 0 H ALA B 170 -3.980 10.192 3.719 1.00 1.17 H new ATOM 0 HA ALA B 170 -4.346 9.481 1.180 1.00 1.28 H new ATOM 0 HB1 ALA B 170 -5.304 11.766 0.651 1.00 1.50 H new ATOM 0 HB2 ALA B 170 -5.896 11.063 2.174 1.00 1.50 H new ATOM 0 HB3 ALA B 170 -4.652 12.335 2.206 1.00 1.50 H new ATOM 2164 N GLY B 171 -2.773 10.368 -0.482 1.00 1.35 N ATOM 2165 CA GLY B 171 -1.851 10.798 -1.512 1.00 1.34 C ATOM 2166 C GLY B 171 -0.380 10.717 -1.159 1.00 1.28 C ATOM 2167 O GLY B 171 0.406 11.513 -1.677 1.00 1.49 O ATOM 0 H GLY B 171 -3.348 9.568 -0.747 1.00 1.35 H new ATOM 0 HA2 GLY B 171 -2.025 10.195 -2.403 1.00 1.34 H new ATOM 0 HA3 GLY B 171 -2.085 11.830 -1.775 1.00 1.34 H new ATOM 2171 N ILE B 172 0.010 9.786 -0.305 1.00 1.13 N ATOM 2172 CA ILE B 172 1.408 9.662 0.074 1.00 1.06 C ATOM 2173 C ILE B 172 1.823 8.217 0.239 1.00 1.00 C ATOM 2174 O ILE B 172 1.370 7.500 1.132 1.00 1.07 O ATOM 2175 CB ILE B 172 1.680 10.414 1.336 1.00 1.25 C ATOM 2176 CG1 ILE B 172 0.835 9.896 2.474 1.00 0.90 C ATOM 2177 CG2 ILE B 172 1.452 11.899 1.121 1.00 2.05 C ATOM 2178 CD1 ILE B 172 1.721 9.682 3.614 1.00 1.09 C ATOM 0 H ILE B 172 -0.614 9.111 0.136 1.00 1.13 H new ATOM 0 HA ILE B 172 1.998 10.091 -0.736 1.00 1.06 H new ATOM 0 HB ILE B 172 2.724 10.260 1.608 1.00 1.25 H new ATOM 0 HG12 ILE B 172 0.051 10.610 2.726 1.00 0.90 H new ATOM 0 HG13 ILE B 172 0.340 8.966 2.192 1.00 0.90 H new ATOM 0 HG21 ILE B 172 1.653 12.436 2.048 1.00 2.05 H new ATOM 0 HG22 ILE B 172 2.121 12.260 0.340 1.00 2.05 H new ATOM 0 HG23 ILE B 172 0.418 12.069 0.821 1.00 2.05 H new ATOM 0 HD11 ILE B 172 1.143 9.306 4.458 1.00 1.09 H new ATOM 0 HD12 ILE B 172 2.488 8.955 3.347 1.00 1.09 H new ATOM 0 HD13 ILE B 172 2.194 10.625 3.889 1.00 1.09 H new ATOM 2190 N CYS B 173 2.698 7.798 -0.641 1.00 1.04 N ATOM 2191 CA CYS B 173 3.205 6.453 -0.625 1.00 1.15 C ATOM 2192 C CYS B 173 4.497 6.429 0.156 1.00 1.11 C ATOM 2193 O CYS B 173 5.567 6.712 -0.388 1.00 1.10 O ATOM 2194 CB CYS B 173 3.462 5.979 -2.043 1.00 1.35 C ATOM 2195 SG CYS B 173 2.582 4.467 -2.554 1.00 1.73 S ATOM 0 H CYS B 173 3.077 8.381 -1.387 1.00 1.04 H new ATOM 0 HA CYS B 173 2.474 5.793 -0.159 1.00 1.15 H new ATOM 0 HB2 CYS B 173 3.190 6.782 -2.728 1.00 1.35 H new ATOM 0 HB3 CYS B 173 4.532 5.809 -2.159 1.00 1.35 H new ATOM 2200 N CYS B 174 4.396 6.125 1.431 1.00 1.16 N ATOM 2201 CA CYS B 174 5.568 6.095 2.272 1.00 1.18 C ATOM 2202 C CYS B 174 6.038 4.677 2.530 1.00 1.13 C ATOM 2203 O CYS B 174 5.244 3.738 2.591 1.00 1.19 O ATOM 2204 CB CYS B 174 5.309 6.823 3.587 1.00 1.35 C ATOM 2205 SG CYS B 174 4.640 8.502 3.380 1.00 1.23 S ATOM 0 H CYS B 174 3.521 5.897 1.904 1.00 1.16 H new ATOM 0 HA CYS B 174 6.365 6.614 1.739 1.00 1.18 H new ATOM 0 HB2 CYS B 174 4.612 6.236 4.185 1.00 1.35 H new ATOM 0 HB3 CYS B 174 6.241 6.881 4.149 1.00 1.35 H new ATOM 2210 N SER B 175 7.348 4.548 2.678 1.00 1.24 N ATOM 2211 CA SER B 175 7.992 3.268 2.937 1.00 1.54 C ATOM 2212 C SER B 175 8.791 3.370 4.229 1.00 1.53 C ATOM 2213 O SER B 175 8.789 4.418 4.877 1.00 1.32 O ATOM 2214 CB SER B 175 8.908 2.878 1.771 1.00 1.76 C ATOM 2215 OG SER B 175 8.700 3.720 0.651 1.00 2.25 O ATOM 0 H SER B 175 7.998 5.332 2.622 1.00 1.24 H new ATOM 0 HA SER B 175 7.231 2.494 3.037 1.00 1.54 H new ATOM 0 HB2 SER B 175 9.949 2.940 2.087 1.00 1.76 H new ATOM 0 HB3 SER B 175 8.721 1.842 1.490 1.00 1.76 H new ATOM 0 HG SER B 175 9.298 3.450 -0.077 1.00 2.25 H new ATOM 2221 N PRO B 176 9.479 2.296 4.645 1.00 1.92 N ATOM 2222 CA PRO B 176 10.259 2.312 5.881 1.00 2.09 C ATOM 2223 C PRO B 176 11.556 3.113 5.760 1.00 1.85 C ATOM 2224 O PRO B 176 12.558 2.791 6.398 1.00 2.09 O ATOM 2225 CB PRO B 176 10.536 0.837 6.151 1.00 2.63 C ATOM 2226 CG PRO B 176 10.496 0.184 4.811 1.00 2.68 C ATOM 2227 CD PRO B 176 9.532 0.980 3.969 1.00 2.33 C ATOM 0 HA PRO B 176 9.721 2.804 6.691 1.00 2.09 H new ATOM 0 HB2 PRO B 176 11.506 0.699 6.628 1.00 2.63 H new ATOM 0 HB3 PRO B 176 9.788 0.411 6.820 1.00 2.63 H new ATOM 0 HG2 PRO B 176 11.487 0.171 4.357 1.00 2.68 H new ATOM 0 HG3 PRO B 176 10.171 -0.853 4.896 1.00 2.68 H new ATOM 0 HD2 PRO B 176 9.881 1.072 2.940 1.00 2.33 H new ATOM 0 HD3 PRO B 176 8.550 0.509 3.932 1.00 2.33 H new ATOM 2235 N ASP B 177 11.517 4.169 4.938 1.00 1.42 N ATOM 2236 CA ASP B 177 12.669 5.049 4.741 1.00 1.21 C ATOM 2237 C ASP B 177 12.218 6.491 4.469 1.00 0.88 C ATOM 2238 O ASP B 177 12.705 7.436 5.100 1.00 0.93 O ATOM 2239 CB ASP B 177 13.540 4.540 3.600 1.00 1.32 C ATOM 2240 CG ASP B 177 14.567 3.535 4.084 1.00 1.99 C ATOM 2241 OD1 ASP B 177 15.325 3.868 5.021 1.00 2.58 O ATOM 2242 OD2 ASP B 177 14.608 2.416 3.534 1.00 2.66 O ATOM 0 H ASP B 177 10.694 4.433 4.397 1.00 1.42 H new ATOM 0 HA ASP B 177 13.259 5.045 5.658 1.00 1.21 H new ATOM 0 HB2 ASP B 177 12.910 4.079 2.839 1.00 1.32 H new ATOM 0 HB3 ASP B 177 14.048 5.380 3.127 1.00 1.32 H new ATOM 2247 N GLY B 178 11.283 6.646 3.530 1.00 0.75 N ATOM 2248 CA GLY B 178 10.781 7.967 3.202 1.00 0.73 C ATOM 2249 C GLY B 178 9.294 7.999 2.872 1.00 0.66 C ATOM 2250 O GLY B 178 8.512 7.176 3.350 1.00 0.72 O ATOM 0 H GLY B 178 10.868 5.883 2.995 1.00 0.75 H new ATOM 0 HA2 GLY B 178 10.971 8.636 4.041 1.00 0.73 H new ATOM 0 HA3 GLY B 178 11.340 8.356 2.351 1.00 0.73 H new ATOM 2254 N CYS B 179 8.926 8.969 2.034 1.00 0.66 N ATOM 2255 CA CYS B 179 7.536 9.162 1.597 1.00 0.63 C ATOM 2256 C CYS B 179 7.497 9.513 0.111 1.00 0.66 C ATOM 2257 O CYS B 179 8.425 10.137 -0.398 1.00 0.76 O ATOM 2258 CB CYS B 179 6.885 10.276 2.417 1.00 0.70 C ATOM 2259 SG CYS B 179 6.153 9.710 3.981 1.00 1.24 S ATOM 0 H CYS B 179 9.580 9.644 1.637 1.00 0.66 H new ATOM 0 HA CYS B 179 6.983 8.236 1.753 1.00 0.63 H new ATOM 0 HB2 CYS B 179 7.633 11.039 2.633 1.00 0.70 H new ATOM 0 HB3 CYS B 179 6.110 10.751 1.815 1.00 0.70 H new ATOM 2264 N HIS B 180 6.431 9.130 -0.608 1.00 0.69 N ATOM 2265 CA HIS B 180 6.378 9.420 -2.040 1.00 0.82 C ATOM 2266 C HIS B 180 4.962 9.680 -2.498 1.00 0.97 C ATOM 2267 O HIS B 180 4.030 9.062 -2.007 1.00 1.07 O ATOM 2268 CB HIS B 180 6.924 8.213 -2.803 1.00 0.99 C ATOM 2269 CG HIS B 180 8.024 8.545 -3.747 1.00 1.39 C ATOM 2270 ND1 HIS B 180 9.339 8.229 -3.501 1.00 2.22 N ATOM 2271 CD2 HIS B 180 8.000 9.155 -4.951 1.00 2.22 C ATOM 2272 CE1 HIS B 180 10.081 8.631 -4.514 1.00 3.00 C ATOM 2273 NE2 HIS B 180 9.292 9.197 -5.408 1.00 2.97 N ATOM 0 H HIS B 180 5.621 8.635 -0.233 1.00 0.69 H new ATOM 0 HA HIS B 180 6.973 10.312 -2.234 1.00 0.82 H new ATOM 0 HB2 HIS B 180 7.284 7.475 -2.086 1.00 0.99 H new ATOM 0 HB3 HIS B 180 6.110 7.748 -3.358 1.00 0.99 H new ATOM 0 HD1 HIS B 180 9.686 7.758 -2.666 1.00 2.22 H new ATOM 0 HD2 HIS B 180 7.127 9.538 -5.459 1.00 2.22 H new ATOM 0 HE1 HIS B 180 11.152 8.517 -4.598 1.00 3.00 H new ATOM 2282 N GLU B 181 4.800 10.573 -3.462 1.00 1.06 N ATOM 2283 CA GLU B 181 3.479 10.849 -3.983 1.00 1.26 C ATOM 2284 C GLU B 181 2.967 9.634 -4.733 1.00 1.41 C ATOM 2285 O GLU B 181 3.742 8.896 -5.340 1.00 1.53 O ATOM 2286 CB GLU B 181 3.494 12.089 -4.864 1.00 1.43 C ATOM 2287 CG GLU B 181 3.632 13.359 -4.051 1.00 2.03 C ATOM 2288 CD GLU B 181 3.807 14.593 -4.906 1.00 2.32 C ATOM 2289 OE1 GLU B 181 4.843 14.697 -5.594 1.00 2.90 O ATOM 2290 OE2 GLU B 181 2.907 15.460 -4.886 1.00 2.53 O ATOM 0 H GLU B 181 5.555 11.109 -3.891 1.00 1.06 H new ATOM 0 HA GLU B 181 2.800 11.054 -3.155 1.00 1.26 H new ATOM 0 HB2 GLU B 181 4.319 12.020 -5.573 1.00 1.43 H new ATOM 0 HB3 GLU B 181 2.575 12.130 -5.448 1.00 1.43 H new ATOM 0 HG2 GLU B 181 2.748 13.480 -3.425 1.00 2.03 H new ATOM 0 HG3 GLU B 181 4.487 13.264 -3.381 1.00 2.03 H new ATOM 2297 N ASP B 182 1.671 9.404 -4.653 1.00 1.48 N ATOM 2298 CA ASP B 182 1.074 8.248 -5.293 1.00 1.67 C ATOM 2299 C ASP B 182 -0.346 8.577 -5.776 1.00 1.85 C ATOM 2300 O ASP B 182 -1.193 8.980 -4.978 1.00 1.75 O ATOM 2301 CB ASP B 182 1.084 7.094 -4.279 1.00 1.61 C ATOM 2302 CG ASP B 182 -0.063 7.181 -3.283 1.00 1.81 C ATOM 2303 OD1 ASP B 182 -0.002 8.050 -2.388 1.00 1.97 O ATOM 2304 OD2 ASP B 182 -1.020 6.386 -3.401 1.00 2.49 O ATOM 0 H ASP B 182 1.012 10.001 -4.152 1.00 1.48 H new ATOM 0 HA ASP B 182 1.642 7.956 -6.176 1.00 1.67 H new ATOM 0 HB2 ASP B 182 1.026 6.145 -4.813 1.00 1.61 H new ATOM 0 HB3 ASP B 182 2.031 7.098 -3.739 1.00 1.61 H new ATOM 2309 N PRO B 183 -0.618 8.445 -7.095 1.00 2.21 N ATOM 2310 CA PRO B 183 -1.936 8.769 -7.672 1.00 2.45 C ATOM 2311 C PRO B 183 -3.087 7.929 -7.128 1.00 2.33 C ATOM 2312 O PRO B 183 -4.254 8.266 -7.335 1.00 2.39 O ATOM 2313 CB PRO B 183 -1.764 8.488 -9.166 1.00 2.94 C ATOM 2314 CG PRO B 183 -0.294 8.498 -9.405 1.00 2.94 C ATOM 2315 CD PRO B 183 0.341 8.014 -8.132 1.00 2.51 C ATOM 0 HA PRO B 183 -2.207 9.796 -7.426 1.00 2.45 H new ATOM 0 HB2 PRO B 183 -2.199 7.526 -9.437 1.00 2.94 H new ATOM 0 HB3 PRO B 183 -2.265 9.246 -9.768 1.00 2.94 H new ATOM 0 HG2 PRO B 183 -0.031 7.851 -10.242 1.00 2.94 H new ATOM 0 HG3 PRO B 183 0.053 9.500 -9.656 1.00 2.94 H new ATOM 0 HD2 PRO B 183 0.474 6.932 -8.134 1.00 2.51 H new ATOM 0 HD3 PRO B 183 1.326 8.456 -7.979 1.00 2.51 H new ATOM 2323 N ALA B 184 -2.769 6.835 -6.457 1.00 2.24 N ATOM 2324 CA ALA B 184 -3.799 5.966 -5.912 1.00 2.23 C ATOM 2325 C ALA B 184 -4.568 6.644 -4.786 1.00 1.95 C ATOM 2326 O ALA B 184 -5.797 6.576 -4.730 1.00 1.99 O ATOM 2327 CB ALA B 184 -3.190 4.666 -5.422 1.00 2.37 C ATOM 0 H ALA B 184 -1.813 6.529 -6.277 1.00 2.24 H new ATOM 0 HA ALA B 184 -4.505 5.749 -6.714 1.00 2.23 H new ATOM 0 HB1 ALA B 184 -3.974 4.027 -5.017 1.00 2.37 H new ATOM 0 HB2 ALA B 184 -2.700 4.158 -6.253 1.00 2.37 H new ATOM 0 HB3 ALA B 184 -2.457 4.878 -4.644 1.00 2.37 H new ATOM 2333 N CYS B 185 -3.842 7.291 -3.888 1.00 1.78 N ATOM 2334 CA CYS B 185 -4.461 7.972 -2.756 1.00 1.63 C ATOM 2335 C CYS B 185 -4.416 9.488 -2.945 1.00 1.80 C ATOM 2336 O CYS B 185 -4.357 10.253 -1.990 1.00 2.13 O ATOM 2337 CB CYS B 185 -3.756 7.580 -1.455 1.00 1.53 C ATOM 2338 SG CYS B 185 -3.414 5.808 -1.227 1.00 1.69 S ATOM 0 H CYS B 185 -2.825 7.360 -3.919 1.00 1.78 H new ATOM 0 HA CYS B 185 -5.505 7.665 -2.699 1.00 1.63 H new ATOM 0 HB2 CYS B 185 -2.811 8.121 -1.401 1.00 1.53 H new ATOM 0 HB3 CYS B 185 -4.366 7.921 -0.619 1.00 1.53 H new ATOM 2343 N ASP B 186 -4.423 9.912 -4.194 1.00 1.86 N ATOM 2344 CA ASP B 186 -4.364 11.344 -4.511 1.00 2.14 C ATOM 2345 C ASP B 186 -5.737 11.979 -4.584 1.00 2.39 C ATOM 2346 O ASP B 186 -5.970 13.049 -4.018 1.00 2.95 O ATOM 2347 CB ASP B 186 -3.690 11.497 -5.843 1.00 2.44 C ATOM 2348 CG ASP B 186 -3.371 12.930 -6.237 1.00 2.64 C ATOM 2349 OD1 ASP B 186 -4.290 13.775 -6.212 1.00 2.84 O ATOM 2350 OD2 ASP B 186 -2.206 13.198 -6.604 1.00 3.11 O ATOM 0 H ASP B 186 -4.468 9.298 -5.007 1.00 1.86 H new ATOM 0 HA ASP B 186 -3.814 11.846 -3.715 1.00 2.14 H new ATOM 0 HB2 ASP B 186 -2.763 10.923 -5.833 1.00 2.44 H new ATOM 0 HB3 ASP B 186 -4.328 11.058 -6.610 1.00 2.44 H new ATOM 2355 N PRO B 187 -6.665 11.338 -5.264 1.00 2.30 N ATOM 2356 CA PRO B 187 -8.004 11.863 -5.361 1.00 2.64 C ATOM 2357 C PRO B 187 -8.470 12.006 -3.959 1.00 2.61 C ATOM 2358 O PRO B 187 -8.209 11.093 -3.203 1.00 2.76 O ATOM 2359 CB PRO B 187 -8.791 10.766 -6.019 1.00 2.91 C ATOM 2360 CG PRO B 187 -7.839 9.672 -6.394 1.00 2.90 C ATOM 2361 CD PRO B 187 -6.474 10.056 -5.920 1.00 2.35 C ATOM 0 HA PRO B 187 -8.090 12.805 -5.902 1.00 2.64 H new ATOM 0 HB2 PRO B 187 -9.557 10.388 -5.342 1.00 2.91 H new ATOM 0 HB3 PRO B 187 -9.305 11.143 -6.903 1.00 2.91 H new ATOM 0 HG2 PRO B 187 -8.147 8.729 -5.942 1.00 2.90 H new ATOM 0 HG3 PRO B 187 -7.838 9.523 -7.474 1.00 2.90 H new ATOM 0 HD2 PRO B 187 -6.069 9.314 -5.232 1.00 2.35 H new ATOM 0 HD3 PRO B 187 -5.773 10.136 -6.751 1.00 2.35 H new ATOM 2369 N GLU B 188 -9.128 13.089 -3.582 1.00 3.08 N ATOM 2370 CA GLU B 188 -9.537 13.203 -2.228 1.00 3.71 C ATOM 2371 C GLU B 188 -9.284 11.844 -1.725 1.00 4.06 C ATOM 2372 O GLU B 188 -10.147 10.981 -1.764 1.00 4.72 O ATOM 2373 CB GLU B 188 -10.977 13.494 -2.169 1.00 4.21 C ATOM 2374 CG GLU B 188 -11.350 14.729 -2.950 1.00 4.44 C ATOM 2375 CD GLU B 188 -11.297 16.021 -2.129 1.00 5.37 C ATOM 2376 OE1 GLU B 188 -11.367 15.946 -0.881 1.00 5.80 O ATOM 2377 OE2 GLU B 188 -11.193 17.107 -2.745 1.00 5.97 O ATOM 0 H GLU B 188 -9.376 13.871 -4.188 1.00 3.08 H new ATOM 0 HA GLU B 188 -9.030 13.990 -1.670 1.00 3.71 H new ATOM 0 HB2 GLU B 188 -11.533 12.641 -2.558 1.00 4.21 H new ATOM 0 HB3 GLU B 188 -11.276 13.622 -1.129 1.00 4.21 H new ATOM 0 HG2 GLU B 188 -10.678 14.824 -3.803 1.00 4.44 H new ATOM 0 HG3 GLU B 188 -12.357 14.605 -3.349 1.00 4.44 H new ATOM 2384 N ALA B 189 -8.028 11.604 -1.445 1.00 4.03 N ATOM 2385 CA ALA B 189 -7.587 10.258 -1.135 1.00 4.84 C ATOM 2386 C ALA B 189 -8.625 9.502 -0.333 1.00 5.79 C ATOM 2387 O ALA B 189 -8.807 8.285 -0.453 1.00 6.55 O ATOM 2388 CB ALA B 189 -6.258 10.379 -0.460 1.00 4.71 C ATOM 0 H ALA B 189 -7.295 12.313 -1.424 1.00 4.03 H new ATOM 0 HA ALA B 189 -7.468 9.658 -2.037 1.00 4.84 H new ATOM 0 HB1 ALA B 189 -5.886 9.386 -0.208 1.00 4.71 H new ATOM 0 HB2 ALA B 189 -5.553 10.871 -1.130 1.00 4.71 H new ATOM 0 HB3 ALA B 189 -6.365 10.969 0.450 1.00 4.71 H new ATOM 2394 N ALA B 190 -9.384 10.273 0.383 1.00 5.98 N ATOM 2395 CA ALA B 190 -10.510 9.773 1.102 1.00 7.07 C ATOM 2396 C ALA B 190 -11.648 9.952 0.128 1.00 8.01 C ATOM 2397 O ALA B 190 -11.459 10.691 -0.849 1.00 8.01 O ATOM 2398 CB ALA B 190 -10.673 10.601 2.355 1.00 7.26 C ATOM 0 H ALA B 190 -9.236 11.277 0.484 1.00 5.98 H new ATOM 0 HA ALA B 190 -10.436 8.736 1.429 1.00 7.07 H new ATOM 0 HB1 ALA B 190 -11.529 10.237 2.923 1.00 7.26 H new ATOM 0 HB2 ALA B 190 -9.773 10.520 2.964 1.00 7.26 H new ATOM 0 HB3 ALA B 190 -10.835 11.644 2.083 1.00 7.26 H new ATOM 2404 N PHE B 191 -12.809 9.338 0.290 1.00 9.01 N ATOM 2405 CA PHE B 191 -13.822 9.570 -0.717 1.00 10.11 C ATOM 2406 C PHE B 191 -14.632 10.845 -0.453 1.00 10.86 C ATOM 2407 O PHE B 191 -15.774 10.805 0.007 1.00 11.47 O ATOM 2408 CB PHE B 191 -14.713 8.345 -0.905 1.00 10.96 C ATOM 2409 CG PHE B 191 -14.263 7.532 -2.107 1.00 11.28 C ATOM 2410 CD1 PHE B 191 -14.382 8.014 -3.418 1.00 11.73 C ATOM 2411 CD2 PHE B 191 -13.662 6.297 -1.922 1.00 11.36 C ATOM 2412 CE1 PHE B 191 -13.913 7.274 -4.503 1.00 12.24 C ATOM 2413 CE2 PHE B 191 -13.200 5.557 -3.004 1.00 11.87 C ATOM 2414 CZ PHE B 191 -13.324 6.045 -4.292 1.00 12.30 C ATOM 0 H PHE B 191 -13.061 8.715 1.057 1.00 9.01 H new ATOM 0 HA PHE B 191 -13.301 9.736 -1.660 1.00 10.11 H new ATOM 0 HB2 PHE B 191 -14.682 7.726 -0.009 1.00 10.96 H new ATOM 0 HB3 PHE B 191 -15.748 8.659 -1.039 1.00 10.96 H new ATOM 0 HD1 PHE B 191 -14.845 8.975 -3.591 1.00 11.73 H new ATOM 0 HD2 PHE B 191 -13.551 5.904 -0.922 1.00 11.36 H new ATOM 0 HE1 PHE B 191 -14.011 7.662 -5.506 1.00 12.24 H new ATOM 0 HE2 PHE B 191 -12.741 4.594 -2.838 1.00 11.87 H new ATOM 0 HZ PHE B 191 -12.961 5.466 -5.129 1.00 12.30 H new ATOM 2424 N SER B 192 -14.027 11.991 -0.781 1.00 10.98 N ATOM 2425 CA SER B 192 -14.676 13.292 -0.633 1.00 11.80 C ATOM 2426 C SER B 192 -15.129 13.526 0.801 1.00 12.30 C ATOM 2427 O SER B 192 -15.688 12.588 1.398 1.00 12.79 O ATOM 2428 CB SER B 192 -15.882 13.385 -1.585 1.00 12.04 C ATOM 2429 OG SER B 192 -16.346 14.728 -1.684 1.00 12.50 O ATOM 2430 OXT SER B 192 -14.913 14.647 1.309 1.00 12.37 O ATOM 0 H SER B 192 -13.079 12.040 -1.154 1.00 10.98 H new ATOM 0 HA SER B 192 -13.949 14.063 -0.887 1.00 11.80 H new ATOM 0 HB2 SER B 192 -15.601 13.019 -2.572 1.00 12.04 H new ATOM 0 HB3 SER B 192 -16.686 12.743 -1.224 1.00 12.04 H new ATOM 0 HG SER B 192 -17.112 14.765 -2.295 1.00 12.50 H new TER 2436 SER B 192