USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 595 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 130:sc= 1.27 (180deg=-0.713!) USER MOD Single : A 13 MET CE :methyl -115:sc= -1.28 (180deg=-1.36) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -140:sc= -0.0737 USER MOD Single : A 20 HIS : no HD1:sc= -0.461 X(o=-0.46,f=-0.041) USER MOD Single : A 21 LYS NZ :NH3+ -146:sc= 1.26 (180deg=1.08) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 120:sc= 0 USER MOD Single : A 27 THR OG1 : rot -73:sc= 1.13 USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= -0.0166 (180deg=-0.0765) USER MOD Single : A 29 HIS : no HE2:sc= 0.515 K(o=0.51,f=-4.6!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 102:sc= -3.16! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -30:sc= 0.469 USER MOD Single : A 42 ASN : amide:sc= 1.4 K(o=1.4,f=-6.9!) USER MOD Single : A 43 LYS NZ :NH3+ 147:sc= 1.24 (180deg=1.13) USER MOD Single : A 45 HIS : no HE2:sc= -1.65! X(o=-1.6!,f=-1.4) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc=-0.00943 USER MOD Single : A 60 HIS : no HE2:sc= 2.5 K(o=2.5,f=-18!) USER MOD Single : A 61 THR OG1 : rot 76:sc= 1.13 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 132:sc= 1.3 USER MOD Single : A 73 LYS NZ :NH3+ -136:sc= 0.232! (180deg=-1.62!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.727 -13.742 7.066 1.00 5.79 N ATOM 2 CA MET A 1 12.444 -14.176 5.850 1.00 4.36 C ATOM 3 C MET A 1 11.373 -14.509 4.815 1.00 3.08 C ATOM 4 O MET A 1 10.301 -14.928 5.245 1.00 3.76 O ATOM 5 CB MET A 1 13.315 -15.412 6.117 1.00 4.87 C ATOM 6 CG MET A 1 14.529 -15.115 7.005 1.00 6.04 C ATOM 7 SD MET A 1 15.590 -16.555 7.289 1.00 7.29 S ATOM 8 CE MET A 1 16.866 -15.816 8.331 1.00 8.61 C ATOM 0 H1 MET A 1 12.094 -14.261 7.889 1.00 5.79 H new ATOM 0 H2 MET A 1 11.870 -12.722 7.208 1.00 5.79 H new ATOM 0 H3 MET A 1 10.711 -13.937 6.958 1.00 5.79 H new ATOM 0 HA MET A 1 13.114 -13.388 5.505 1.00 4.36 H new ATOM 0 HB2 MET A 1 12.706 -16.182 6.591 1.00 4.87 H new ATOM 0 HB3 MET A 1 13.659 -15.818 5.166 1.00 4.87 H new ATOM 0 HG2 MET A 1 15.120 -14.324 6.544 1.00 6.04 H new ATOM 0 HG3 MET A 1 14.182 -14.735 7.966 1.00 6.04 H new ATOM 0 HE1 MET A 1 17.603 -16.574 8.597 1.00 8.61 H new ATOM 0 HE2 MET A 1 17.356 -15.008 7.788 1.00 8.61 H new ATOM 0 HE3 MET A 1 16.410 -15.419 9.238 1.00 8.61 H new ATOM 20 N GLY A 2 11.622 -14.274 3.520 1.00 2.70 N ATOM 21 CA GLY A 2 10.565 -14.266 2.510 1.00 3.09 C ATOM 22 C GLY A 2 9.579 -13.147 2.841 1.00 2.72 C ATOM 23 O GLY A 2 8.418 -13.391 3.148 1.00 3.55 O ATOM 0 H GLY A 2 12.554 -14.086 3.149 1.00 2.70 H new ATOM 0 HA2 GLY A 2 10.991 -14.113 1.518 1.00 3.09 H new ATOM 0 HA3 GLY A 2 10.053 -15.228 2.492 1.00 3.09 H new ATOM 27 N ASP A 3 10.102 -11.918 2.891 1.00 2.39 N ATOM 28 CA ASP A 3 9.755 -10.951 3.924 1.00 1.89 C ATOM 29 C ASP A 3 10.350 -9.604 3.513 1.00 1.40 C ATOM 30 O ASP A 3 11.109 -9.542 2.544 1.00 2.06 O ATOM 31 CB ASP A 3 10.377 -11.511 5.211 1.00 2.93 C ATOM 32 CG ASP A 3 10.284 -10.710 6.492 1.00 3.16 C ATOM 33 OD1 ASP A 3 9.572 -9.687 6.539 1.00 3.31 O ATOM 34 OD2 ASP A 3 10.957 -11.219 7.420 1.00 4.25 O ATOM 0 H ASP A 3 10.779 -11.570 2.212 1.00 2.39 H new ATOM 0 HA ASP A 3 8.685 -10.798 4.069 1.00 1.89 H new ATOM 0 HB2 ASP A 3 9.920 -12.483 5.399 1.00 2.93 H new ATOM 0 HB3 ASP A 3 11.434 -11.689 5.013 1.00 2.93 H new ATOM 39 N GLY A 4 10.007 -8.539 4.231 1.00 1.39 N ATOM 40 CA GLY A 4 10.365 -7.165 3.930 1.00 1.75 C ATOM 41 C GLY A 4 9.128 -6.272 3.986 1.00 1.41 C ATOM 42 O GLY A 4 8.031 -6.721 4.320 1.00 2.12 O ATOM 0 H GLY A 4 9.445 -8.619 5.078 1.00 1.39 H new ATOM 0 HA2 GLY A 4 11.110 -6.811 4.643 1.00 1.75 H new ATOM 0 HA3 GLY A 4 10.819 -7.108 2.940 1.00 1.75 H new ATOM 46 N VAL A 5 9.307 -4.991 3.654 1.00 0.93 N ATOM 47 CA VAL A 5 8.230 -4.018 3.561 1.00 0.86 C ATOM 48 C VAL A 5 8.474 -3.194 2.299 1.00 0.87 C ATOM 49 O VAL A 5 9.613 -3.120 1.836 1.00 1.30 O ATOM 50 CB VAL A 5 8.142 -3.152 4.836 1.00 1.28 C ATOM 51 CG1 VAL A 5 8.242 -4.003 6.110 1.00 1.96 C ATOM 52 CG2 VAL A 5 9.206 -2.048 4.913 1.00 1.90 C ATOM 0 H VAL A 5 10.224 -4.600 3.439 1.00 0.93 H new ATOM 0 HA VAL A 5 7.262 -4.514 3.488 1.00 0.86 H new ATOM 0 HB VAL A 5 7.163 -2.676 4.771 1.00 1.28 H new ATOM 0 HG11 VAL A 5 8.176 -3.357 6.985 1.00 1.96 H new ATOM 0 HG12 VAL A 5 7.426 -4.725 6.130 1.00 1.96 H new ATOM 0 HG13 VAL A 5 9.195 -4.532 6.120 1.00 1.96 H new ATOM 0 HG21 VAL A 5 9.078 -1.483 5.837 1.00 1.90 H new ATOM 0 HG22 VAL A 5 10.199 -2.498 4.897 1.00 1.90 H new ATOM 0 HG23 VAL A 5 9.097 -1.378 4.060 1.00 1.90 H new ATOM 62 N LEU A 6 7.422 -2.596 1.739 1.00 0.79 N ATOM 63 CA LEU A 6 7.510 -1.686 0.609 1.00 0.84 C ATOM 64 C LEU A 6 6.778 -0.408 1.017 1.00 0.84 C ATOM 65 O LEU A 6 5.630 -0.474 1.458 1.00 1.07 O ATOM 66 CB LEU A 6 6.873 -2.323 -0.641 1.00 1.01 C ATOM 67 CG LEU A 6 7.543 -1.959 -1.980 1.00 1.10 C ATOM 68 CD1 LEU A 6 7.887 -0.476 -2.135 1.00 2.20 C ATOM 69 CD2 LEU A 6 8.810 -2.788 -2.216 1.00 2.55 C ATOM 0 H LEU A 6 6.467 -2.737 2.069 1.00 0.79 H new ATOM 0 HA LEU A 6 8.547 -1.465 0.355 1.00 0.84 H new ATOM 0 HB2 LEU A 6 6.893 -3.407 -0.526 1.00 1.01 H new ATOM 0 HB3 LEU A 6 5.825 -2.027 -0.686 1.00 1.01 H new ATOM 0 HG LEU A 6 6.788 -2.194 -2.731 1.00 1.10 H new ATOM 0 HD11 LEU A 6 8.355 -0.310 -3.106 1.00 2.20 H new ATOM 0 HD12 LEU A 6 6.976 0.118 -2.065 1.00 2.20 H new ATOM 0 HD13 LEU A 6 8.576 -0.178 -1.345 1.00 2.20 H new ATOM 0 HD21 LEU A 6 9.257 -2.506 -3.169 1.00 2.55 H new ATOM 0 HD22 LEU A 6 9.522 -2.602 -1.412 1.00 2.55 H new ATOM 0 HD23 LEU A 6 8.553 -3.847 -2.235 1.00 2.55 H new ATOM 81 N GLU A 7 7.444 0.740 0.883 1.00 0.75 N ATOM 82 CA GLU A 7 6.832 2.048 1.027 1.00 0.78 C ATOM 83 C GLU A 7 6.565 2.591 -0.370 1.00 0.81 C ATOM 84 O GLU A 7 7.513 2.802 -1.127 1.00 1.14 O ATOM 85 CB GLU A 7 7.771 2.993 1.775 1.00 0.85 C ATOM 86 CG GLU A 7 8.145 2.495 3.169 1.00 0.85 C ATOM 87 CD GLU A 7 9.068 3.499 3.841 1.00 1.20 C ATOM 88 OE1 GLU A 7 8.525 4.455 4.440 1.00 2.18 O ATOM 89 OE2 GLU A 7 10.296 3.351 3.681 1.00 2.11 O ATOM 0 H GLU A 7 8.440 0.780 0.668 1.00 0.75 H new ATOM 0 HA GLU A 7 5.905 1.968 1.595 1.00 0.78 H new ATOM 0 HB2 GLU A 7 8.680 3.129 1.189 1.00 0.85 H new ATOM 0 HB3 GLU A 7 7.298 3.971 1.861 1.00 0.85 H new ATOM 0 HG2 GLU A 7 7.246 2.355 3.769 1.00 0.85 H new ATOM 0 HG3 GLU A 7 8.636 1.525 3.099 1.00 0.85 H new ATOM 96 N LEU A 8 5.296 2.823 -0.707 1.00 0.60 N ATOM 97 CA LEU A 8 4.919 3.495 -1.938 1.00 0.59 C ATOM 98 C LEU A 8 4.367 4.866 -1.556 1.00 0.60 C ATOM 99 O LEU A 8 3.679 4.998 -0.545 1.00 0.69 O ATOM 100 CB LEU A 8 3.908 2.688 -2.784 1.00 0.69 C ATOM 101 CG LEU A 8 3.299 1.435 -2.130 1.00 0.69 C ATOM 102 CD1 LEU A 8 2.075 1.009 -2.939 1.00 1.43 C ATOM 103 CD2 LEU A 8 4.284 0.258 -2.103 1.00 1.88 C ATOM 0 H LEU A 8 4.503 2.547 -0.128 1.00 0.60 H new ATOM 0 HA LEU A 8 5.796 3.596 -2.577 1.00 0.59 H new ATOM 0 HB2 LEU A 8 3.093 3.354 -3.066 1.00 0.69 H new ATOM 0 HB3 LEU A 8 4.403 2.383 -3.706 1.00 0.69 H new ATOM 0 HG LEU A 8 3.040 1.689 -1.102 1.00 0.69 H new ATOM 0 HD11 LEU A 8 1.632 0.121 -2.488 1.00 1.43 H new ATOM 0 HD12 LEU A 8 1.343 1.817 -2.945 1.00 1.43 H new ATOM 0 HD13 LEU A 8 2.375 0.784 -3.962 1.00 1.43 H new ATOM 0 HD21 LEU A 8 3.809 -0.603 -1.632 1.00 1.88 H new ATOM 0 HD22 LEU A 8 4.572 0.001 -3.122 1.00 1.88 H new ATOM 0 HD23 LEU A 8 5.171 0.539 -1.535 1.00 1.88 H new ATOM 115 N VAL A 9 4.673 5.885 -2.355 1.00 0.57 N ATOM 116 CA VAL A 9 4.016 7.176 -2.260 1.00 0.60 C ATOM 117 C VAL A 9 2.666 7.024 -2.958 1.00 0.59 C ATOM 118 O VAL A 9 2.616 6.408 -4.014 1.00 0.68 O ATOM 119 CB VAL A 9 4.926 8.244 -2.888 1.00 0.67 C ATOM 120 CG1 VAL A 9 4.171 9.491 -3.341 1.00 0.80 C ATOM 121 CG2 VAL A 9 5.992 8.662 -1.867 1.00 0.85 C ATOM 0 H VAL A 9 5.384 5.834 -3.085 1.00 0.57 H new ATOM 0 HA VAL A 9 3.839 7.500 -1.234 1.00 0.60 H new ATOM 0 HB VAL A 9 5.373 7.794 -3.775 1.00 0.67 H new ATOM 0 HG11 VAL A 9 4.873 10.204 -3.775 1.00 0.80 H new ATOM 0 HG12 VAL A 9 3.427 9.214 -4.088 1.00 0.80 H new ATOM 0 HG13 VAL A 9 3.674 9.947 -2.485 1.00 0.80 H new ATOM 0 HG21 VAL A 9 6.640 9.420 -2.307 1.00 0.85 H new ATOM 0 HG22 VAL A 9 5.507 9.071 -0.981 1.00 0.85 H new ATOM 0 HG23 VAL A 9 6.588 7.793 -1.586 1.00 0.85 H new ATOM 131 N VAL A 10 1.586 7.541 -2.366 1.00 0.67 N ATOM 132 CA VAL A 10 0.220 7.472 -2.871 1.00 0.72 C ATOM 133 C VAL A 10 -0.438 8.840 -2.704 1.00 0.84 C ATOM 134 O VAL A 10 -0.783 9.234 -1.593 1.00 1.25 O ATOM 135 CB VAL A 10 -0.628 6.398 -2.167 1.00 0.77 C ATOM 136 CG1 VAL A 10 -0.850 5.148 -3.015 1.00 1.16 C ATOM 137 CG2 VAL A 10 -0.028 5.942 -0.848 1.00 1.26 C ATOM 0 H VAL A 10 1.648 8.042 -1.480 1.00 0.67 H new ATOM 0 HA VAL A 10 0.272 7.190 -3.923 1.00 0.72 H new ATOM 0 HB VAL A 10 -1.581 6.899 -1.995 1.00 0.77 H new ATOM 0 HG11 VAL A 10 -1.455 4.433 -2.458 1.00 1.16 H new ATOM 0 HG12 VAL A 10 -1.366 5.420 -3.936 1.00 1.16 H new ATOM 0 HG13 VAL A 10 0.112 4.697 -3.258 1.00 1.16 H new ATOM 0 HG21 VAL A 10 -0.670 5.185 -0.399 1.00 1.26 H new ATOM 0 HG22 VAL A 10 0.961 5.520 -1.025 1.00 1.26 H new ATOM 0 HG23 VAL A 10 0.056 6.794 -0.173 1.00 1.26 H new ATOM 147 N ARG A 11 -0.659 9.547 -3.809 1.00 0.77 N ATOM 148 CA ARG A 11 -1.629 10.638 -3.838 1.00 0.82 C ATOM 149 C ARG A 11 -3.032 10.051 -3.673 1.00 0.93 C ATOM 150 O ARG A 11 -3.250 8.888 -4.018 1.00 1.04 O ATOM 151 CB ARG A 11 -1.610 11.385 -5.178 1.00 1.17 C ATOM 152 CG ARG A 11 -0.227 11.801 -5.673 1.00 1.20 C ATOM 153 CD ARG A 11 0.414 12.946 -4.887 1.00 2.04 C ATOM 154 NE ARG A 11 1.487 12.494 -3.988 1.00 3.34 N ATOM 155 CZ ARG A 11 2.744 12.247 -4.391 1.00 4.18 C ATOM 156 NH1 ARG A 11 3.027 11.751 -5.605 1.00 4.26 N ATOM 157 NH2 ARG A 11 3.729 12.537 -3.535 1.00 5.67 N ATOM 0 H ARG A 11 -0.180 9.384 -4.695 1.00 0.77 H new ATOM 0 HA ARG A 11 -1.371 11.330 -3.037 1.00 0.82 H new ATOM 0 HB2 ARG A 11 -2.073 10.752 -5.935 1.00 1.17 H new ATOM 0 HB3 ARG A 11 -2.229 12.278 -5.086 1.00 1.17 H new ATOM 0 HG2 ARG A 11 0.434 10.935 -5.633 1.00 1.20 H new ATOM 0 HG3 ARG A 11 -0.304 12.095 -6.720 1.00 1.20 H new ATOM 0 HD2 ARG A 11 0.817 13.679 -5.586 1.00 2.04 H new ATOM 0 HD3 ARG A 11 -0.354 13.453 -4.302 1.00 2.04 H new ATOM 0 HE ARG A 11 1.263 12.361 -3.002 1.00 3.34 H new ATOM 0 HH11 ARG A 11 2.273 11.547 -6.261 1.00 4.26 H new ATOM 0 HH12 ARG A 11 3.996 11.578 -5.872 1.00 4.26 H new ATOM 0 HH21 ARG A 11 3.510 12.929 -2.619 1.00 5.67 H new ATOM 0 HH22 ARG A 11 4.700 12.366 -3.798 1.00 5.67 H new ATOM 171 N GLY A 12 -3.981 10.886 -3.237 1.00 1.05 N ATOM 172 CA GLY A 12 -5.412 10.627 -3.352 1.00 1.11 C ATOM 173 C GLY A 12 -6.129 10.607 -2.001 1.00 1.06 C ATOM 174 O GLY A 12 -7.338 10.825 -1.953 1.00 1.14 O ATOM 0 H GLY A 12 -3.768 11.776 -2.787 1.00 1.05 H new ATOM 0 HA2 GLY A 12 -5.864 11.391 -3.985 1.00 1.11 H new ATOM 0 HA3 GLY A 12 -5.563 9.670 -3.851 1.00 1.11 H new ATOM 178 N MET A 13 -5.419 10.339 -0.897 1.00 1.10 N ATOM 179 CA MET A 13 -6.062 10.209 0.404 1.00 1.13 C ATOM 180 C MET A 13 -6.579 11.548 0.942 1.00 1.40 C ATOM 181 O MET A 13 -5.908 12.214 1.729 1.00 2.16 O ATOM 182 CB MET A 13 -5.166 9.499 1.428 1.00 1.28 C ATOM 183 CG MET A 13 -4.784 8.064 1.040 1.00 1.10 C ATOM 184 SD MET A 13 -3.319 7.867 0.001 1.00 1.78 S ATOM 185 CE MET A 13 -2.057 8.451 1.149 1.00 0.94 C ATOM 0 H MET A 13 -4.407 10.210 -0.885 1.00 1.10 H new ATOM 0 HA MET A 13 -6.934 9.575 0.245 1.00 1.13 H new ATOM 0 HB2 MET A 13 -4.255 10.082 1.563 1.00 1.28 H new ATOM 0 HB3 MET A 13 -5.678 9.480 2.390 1.00 1.28 H new ATOM 0 HG2 MET A 13 -4.631 7.493 1.956 1.00 1.10 H new ATOM 0 HG3 MET A 13 -5.631 7.614 0.522 1.00 1.10 H new ATOM 0 HE1 MET A 13 -1.607 9.365 0.761 1.00 0.94 H new ATOM 0 HE2 MET A 13 -2.513 8.654 2.118 1.00 0.94 H new ATOM 0 HE3 MET A 13 -1.287 7.688 1.263 1.00 0.94 H new ATOM 195 N THR A 14 -7.793 11.927 0.544 1.00 1.19 N ATOM 196 CA THR A 14 -8.449 13.127 1.037 1.00 1.55 C ATOM 197 C THR A 14 -9.008 12.903 2.453 1.00 1.64 C ATOM 198 O THR A 14 -10.069 12.316 2.649 1.00 3.09 O ATOM 199 CB THR A 14 -9.457 13.666 0.004 1.00 1.90 C ATOM 200 OG1 THR A 14 -9.980 14.908 0.432 1.00 2.55 O ATOM 201 CG2 THR A 14 -10.619 12.725 -0.331 1.00 2.16 C ATOM 0 H THR A 14 -8.348 11.404 -0.133 1.00 1.19 H new ATOM 0 HA THR A 14 -7.719 13.928 1.152 1.00 1.55 H new ATOM 0 HB THR A 14 -8.880 13.770 -0.915 1.00 1.90 H new ATOM 0 HG1 THR A 14 -10.618 15.241 -0.233 1.00 2.55 H new ATOM 0 HG21 THR A 14 -11.270 13.198 -1.066 1.00 2.16 H new ATOM 0 HG22 THR A 14 -10.227 11.794 -0.739 1.00 2.16 H new ATOM 0 HG23 THR A 14 -11.188 12.513 0.574 1.00 2.16 H new ATOM 209 N CYS A 15 -8.276 13.389 3.458 1.00 1.73 N ATOM 210 CA CYS A 15 -8.738 13.574 4.832 1.00 2.10 C ATOM 211 C CYS A 15 -9.006 12.286 5.607 1.00 1.76 C ATOM 212 O CYS A 15 -8.231 11.929 6.491 1.00 3.08 O ATOM 213 CB CYS A 15 -9.929 14.541 4.893 1.00 3.02 C ATOM 214 SG CYS A 15 -10.435 14.747 6.620 1.00 3.99 S ATOM 0 H CYS A 15 -7.306 13.676 3.329 1.00 1.73 H new ATOM 0 HA CYS A 15 -7.895 14.026 5.354 1.00 2.10 H new ATOM 0 HB2 CYS A 15 -9.654 15.505 4.464 1.00 3.02 H new ATOM 0 HB3 CYS A 15 -10.759 14.154 4.301 1.00 3.02 H new ATOM 0 HG CYS A 15 -11.442 15.566 6.682 1.00 3.99 H new ATOM 220 N ALA A 16 -10.127 11.621 5.331 1.00 1.21 N ATOM 221 CA ALA A 16 -10.610 10.488 6.107 1.00 1.66 C ATOM 222 C ALA A 16 -11.176 9.451 5.154 1.00 1.85 C ATOM 223 O ALA A 16 -11.295 9.709 3.959 1.00 3.33 O ATOM 224 CB ALA A 16 -11.674 10.940 7.110 1.00 2.15 C ATOM 0 H ALA A 16 -10.733 11.862 4.547 1.00 1.21 H new ATOM 0 HA ALA A 16 -9.787 10.051 6.672 1.00 1.66 H new ATOM 0 HB1 ALA A 16 -12.024 10.080 7.681 1.00 2.15 H new ATOM 0 HB2 ALA A 16 -11.244 11.677 7.789 1.00 2.15 H new ATOM 0 HB3 ALA A 16 -12.513 11.386 6.575 1.00 2.15 H new ATOM 230 N SER A 17 -11.480 8.264 5.684 1.00 0.99 N ATOM 231 CA SER A 17 -11.945 7.110 4.932 1.00 0.89 C ATOM 232 C SER A 17 -10.828 6.537 4.060 1.00 0.71 C ATOM 233 O SER A 17 -10.466 5.382 4.242 1.00 0.67 O ATOM 234 CB SER A 17 -13.223 7.419 4.141 1.00 1.03 C ATOM 235 OG SER A 17 -14.171 8.049 4.981 1.00 1.84 O ATOM 0 H SER A 17 -11.404 8.080 6.684 1.00 0.99 H new ATOM 0 HA SER A 17 -12.218 6.332 5.645 1.00 0.89 H new ATOM 0 HB2 SER A 17 -12.989 8.064 3.294 1.00 1.03 H new ATOM 0 HB3 SER A 17 -13.640 6.498 3.734 1.00 1.03 H new ATOM 0 HG SER A 17 -14.983 8.245 4.469 1.00 1.84 H new ATOM 241 N CYS A 18 -10.250 7.326 3.147 1.00 0.69 N ATOM 242 CA CYS A 18 -9.211 6.902 2.214 1.00 0.63 C ATOM 243 C CYS A 18 -8.152 6.057 2.905 1.00 0.60 C ATOM 244 O CYS A 18 -7.817 4.985 2.412 1.00 0.62 O ATOM 245 CB CYS A 18 -8.567 8.125 1.575 1.00 0.69 C ATOM 246 SG CYS A 18 -9.736 9.027 0.528 1.00 0.85 S ATOM 0 H CYS A 18 -10.504 8.308 3.037 1.00 0.69 H new ATOM 0 HA CYS A 18 -9.676 6.287 1.444 1.00 0.63 H new ATOM 0 HB2 CYS A 18 -8.191 8.787 2.355 1.00 0.69 H new ATOM 0 HB3 CYS A 18 -7.709 7.815 0.979 1.00 0.69 H new ATOM 0 HG CYS A 18 -9.130 9.433 -0.548 1.00 0.85 H new ATOM 252 N VAL A 19 -7.672 6.519 4.062 1.00 0.61 N ATOM 253 CA VAL A 19 -6.744 5.777 4.897 1.00 0.62 C ATOM 254 C VAL A 19 -7.170 4.305 4.984 1.00 0.63 C ATOM 255 O VAL A 19 -6.488 3.429 4.454 1.00 0.63 O ATOM 256 CB VAL A 19 -6.615 6.470 6.269 1.00 0.75 C ATOM 257 CG1 VAL A 19 -5.729 5.678 7.239 1.00 0.88 C ATOM 258 CG2 VAL A 19 -6.021 7.879 6.116 1.00 0.78 C ATOM 0 H VAL A 19 -7.924 7.431 4.444 1.00 0.61 H new ATOM 0 HA VAL A 19 -5.748 5.776 4.453 1.00 0.62 H new ATOM 0 HB VAL A 19 -7.624 6.526 6.678 1.00 0.75 H new ATOM 0 HG11 VAL A 19 -5.669 6.206 8.191 1.00 0.88 H new ATOM 0 HG12 VAL A 19 -6.158 4.689 7.399 1.00 0.88 H new ATOM 0 HG13 VAL A 19 -4.729 5.575 6.817 1.00 0.88 H new ATOM 0 HG21 VAL A 19 -5.940 8.348 7.097 1.00 0.78 H new ATOM 0 HG22 VAL A 19 -5.032 7.810 5.664 1.00 0.78 H new ATOM 0 HG23 VAL A 19 -6.670 8.480 5.479 1.00 0.78 H new ATOM 268 N HIS A 20 -8.332 4.028 5.585 1.00 0.77 N ATOM 269 CA HIS A 20 -8.791 2.666 5.792 1.00 0.88 C ATOM 270 C HIS A 20 -9.256 2.026 4.477 1.00 0.89 C ATOM 271 O HIS A 20 -9.188 0.808 4.338 1.00 1.01 O ATOM 272 CB HIS A 20 -9.805 2.621 6.951 1.00 0.98 C ATOM 273 CG HIS A 20 -11.203 2.179 6.605 1.00 1.05 C ATOM 274 ND1 HIS A 20 -11.898 1.162 7.217 1.00 1.44 N ATOM 275 CD2 HIS A 20 -12.041 2.763 5.697 1.00 0.85 C ATOM 276 CE1 HIS A 20 -13.121 1.130 6.665 1.00 1.44 C ATOM 277 NE2 HIS A 20 -13.257 2.082 5.729 1.00 1.07 N ATOM 0 H HIS A 20 -8.971 4.741 5.936 1.00 0.77 H new ATOM 0 HA HIS A 20 -7.962 2.034 6.110 1.00 0.88 H new ATOM 0 HB2 HIS A 20 -9.416 1.952 7.719 1.00 0.98 H new ATOM 0 HB3 HIS A 20 -9.861 3.616 7.394 1.00 0.98 H new ATOM 0 HD2 HIS A 20 -11.803 3.605 5.065 1.00 0.85 H new ATOM 0 HE1 HIS A 20 -13.895 0.429 6.939 1.00 1.44 H new ATOM 0 HE2 HIS A 20 -14.081 2.269 5.158 1.00 1.07 H new ATOM 285 N LYS A 21 -9.692 2.825 3.497 1.00 0.82 N ATOM 286 CA LYS A 21 -10.010 2.358 2.149 1.00 0.87 C ATOM 287 C LYS A 21 -8.829 1.556 1.615 1.00 0.88 C ATOM 288 O LYS A 21 -9.012 0.509 1.000 1.00 1.17 O ATOM 289 CB LYS A 21 -10.316 3.550 1.225 1.00 0.80 C ATOM 290 CG LYS A 21 -11.372 3.297 0.136 1.00 1.07 C ATOM 291 CD LYS A 21 -10.915 2.285 -0.926 1.00 1.36 C ATOM 292 CE LYS A 21 -11.865 2.220 -2.135 1.00 1.76 C ATOM 293 NZ LYS A 21 -11.760 3.393 -3.032 1.00 3.24 N ATOM 0 H LYS A 21 -9.835 3.827 3.623 1.00 0.82 H new ATOM 0 HA LYS A 21 -10.896 1.724 2.181 1.00 0.87 H new ATOM 0 HB2 LYS A 21 -10.648 4.386 1.840 1.00 0.80 H new ATOM 0 HB3 LYS A 21 -9.389 3.858 0.741 1.00 0.80 H new ATOM 0 HG2 LYS A 21 -12.287 2.935 0.604 1.00 1.07 H new ATOM 0 HG3 LYS A 21 -11.615 4.241 -0.352 1.00 1.07 H new ATOM 0 HD2 LYS A 21 -9.915 2.552 -1.269 1.00 1.36 H new ATOM 0 HD3 LYS A 21 -10.843 1.296 -0.472 1.00 1.36 H new ATOM 0 HE2 LYS A 21 -11.653 1.316 -2.706 1.00 1.76 H new ATOM 0 HE3 LYS A 21 -12.891 2.137 -1.777 1.00 1.76 H new ATOM 0 HZ1 LYS A 21 -12.695 3.608 -3.434 1.00 3.24 H new ATOM 0 HZ2 LYS A 21 -11.419 4.214 -2.492 1.00 3.24 H new ATOM 0 HZ3 LYS A 21 -11.093 3.183 -3.801 1.00 3.24 H new ATOM 307 N ILE A 22 -7.617 2.049 1.868 1.00 0.59 N ATOM 308 CA ILE A 22 -6.409 1.335 1.511 1.00 0.48 C ATOM 309 C ILE A 22 -6.162 0.275 2.584 1.00 0.49 C ATOM 310 O ILE A 22 -6.240 -0.924 2.319 1.00 0.56 O ATOM 311 CB ILE A 22 -5.227 2.312 1.352 1.00 0.45 C ATOM 312 CG1 ILE A 22 -5.573 3.453 0.389 1.00 0.38 C ATOM 313 CG2 ILE A 22 -4.067 1.532 0.752 1.00 0.64 C ATOM 314 CD1 ILE A 22 -4.491 4.520 0.226 1.00 0.48 C ATOM 0 H ILE A 22 -7.454 2.947 2.323 1.00 0.59 H new ATOM 0 HA ILE A 22 -6.516 0.840 0.546 1.00 0.48 H new ATOM 0 HB ILE A 22 -4.984 2.738 2.326 1.00 0.45 H new ATOM 0 HG12 ILE A 22 -5.790 3.027 -0.590 1.00 0.38 H new ATOM 0 HG13 ILE A 22 -6.487 3.935 0.736 1.00 0.38 H new ATOM 0 HG21 ILE A 22 -3.210 2.194 0.625 1.00 0.64 H new ATOM 0 HG22 ILE A 22 -3.797 0.712 1.418 1.00 0.64 H new ATOM 0 HG23 ILE A 22 -4.362 1.130 -0.217 1.00 0.64 H new ATOM 0 HD11 ILE A 22 -4.833 5.281 -0.475 1.00 0.48 H new ATOM 0 HD12 ILE A 22 -4.287 4.982 1.192 1.00 0.48 H new ATOM 0 HD13 ILE A 22 -3.580 4.059 -0.155 1.00 0.48 H new ATOM 326 N GLU A 23 -5.877 0.739 3.802 1.00 0.48 N ATOM 327 CA GLU A 23 -5.393 -0.069 4.911 1.00 0.46 C ATOM 328 C GLU A 23 -6.233 -1.336 5.084 1.00 0.37 C ATOM 329 O GLU A 23 -5.710 -2.448 5.023 1.00 0.39 O ATOM 330 CB GLU A 23 -5.365 0.797 6.184 1.00 0.56 C ATOM 331 CG GLU A 23 -4.033 0.706 6.932 1.00 0.84 C ATOM 332 CD GLU A 23 -3.902 1.877 7.897 1.00 2.06 C ATOM 333 OE1 GLU A 23 -4.418 1.750 9.024 1.00 2.78 O ATOM 334 OE2 GLU A 23 -3.294 2.885 7.470 1.00 3.29 O ATOM 0 H GLU A 23 -5.982 1.724 4.047 1.00 0.48 H new ATOM 0 HA GLU A 23 -4.379 -0.409 4.702 1.00 0.46 H new ATOM 0 HB2 GLU A 23 -5.556 1.836 5.916 1.00 0.56 H new ATOM 0 HB3 GLU A 23 -6.172 0.486 6.848 1.00 0.56 H new ATOM 0 HG2 GLU A 23 -3.976 -0.235 7.478 1.00 0.84 H new ATOM 0 HG3 GLU A 23 -3.206 0.713 6.222 1.00 0.84 H new ATOM 341 N SER A 24 -7.543 -1.162 5.264 1.00 0.37 N ATOM 342 CA SER A 24 -8.480 -2.249 5.518 1.00 0.41 C ATOM 343 C SER A 24 -8.560 -3.169 4.301 1.00 0.44 C ATOM 344 O SER A 24 -8.524 -4.390 4.429 1.00 0.59 O ATOM 345 CB SER A 24 -9.861 -1.678 5.877 1.00 0.51 C ATOM 346 OG SER A 24 -10.702 -2.693 6.391 1.00 1.36 O ATOM 0 H SER A 24 -7.987 -0.244 5.236 1.00 0.37 H new ATOM 0 HA SER A 24 -8.127 -2.840 6.363 1.00 0.41 H new ATOM 0 HB2 SER A 24 -9.751 -0.882 6.613 1.00 0.51 H new ATOM 0 HB3 SER A 24 -10.318 -1.233 4.993 1.00 0.51 H new ATOM 0 HG SER A 24 -11.576 -2.311 6.615 1.00 1.36 H new ATOM 352 N SER A 25 -8.661 -2.585 3.102 1.00 0.46 N ATOM 353 CA SER A 25 -8.752 -3.373 1.881 1.00 0.57 C ATOM 354 C SER A 25 -7.503 -4.220 1.672 1.00 0.56 C ATOM 355 O SER A 25 -7.591 -5.272 1.041 1.00 0.73 O ATOM 356 CB SER A 25 -8.988 -2.484 0.664 1.00 0.68 C ATOM 357 OG SER A 25 -9.315 -3.286 -0.456 1.00 0.89 O ATOM 0 H SER A 25 -8.681 -1.575 2.957 1.00 0.46 H new ATOM 0 HA SER A 25 -9.607 -4.040 1.994 1.00 0.57 H new ATOM 0 HB2 SER A 25 -9.795 -1.780 0.867 1.00 0.68 H new ATOM 0 HB3 SER A 25 -8.096 -1.895 0.453 1.00 0.68 H new ATOM 0 HG SER A 25 -10.205 -3.040 -0.786 1.00 0.89 H new ATOM 363 N LEU A 26 -6.350 -3.759 2.155 1.00 0.48 N ATOM 364 CA LEU A 26 -5.123 -4.530 2.074 1.00 0.51 C ATOM 365 C LEU A 26 -5.057 -5.587 3.177 1.00 0.46 C ATOM 366 O LEU A 26 -4.886 -6.765 2.864 1.00 0.62 O ATOM 367 CB LEU A 26 -3.899 -3.619 2.060 1.00 0.60 C ATOM 368 CG LEU A 26 -3.504 -3.244 0.622 1.00 0.87 C ATOM 369 CD1 LEU A 26 -4.518 -2.343 -0.092 1.00 2.61 C ATOM 370 CD2 LEU A 26 -2.147 -2.558 0.665 1.00 2.01 C ATOM 0 H LEU A 26 -6.246 -2.851 2.607 1.00 0.48 H new ATOM 0 HA LEU A 26 -5.123 -5.069 1.127 1.00 0.51 H new ATOM 0 HB2 LEU A 26 -4.109 -2.714 2.630 1.00 0.60 H new ATOM 0 HB3 LEU A 26 -3.064 -4.119 2.551 1.00 0.60 H new ATOM 0 HG LEU A 26 -3.473 -4.168 0.044 1.00 0.87 H new ATOM 0 HD11 LEU A 26 -4.165 -2.125 -1.100 1.00 2.61 H new ATOM 0 HD12 LEU A 26 -5.481 -2.851 -0.147 1.00 2.61 H new ATOM 0 HD13 LEU A 26 -4.630 -1.411 0.462 1.00 2.61 H new ATOM 0 HD21 LEU A 26 -1.846 -2.283 -0.346 1.00 2.01 H new ATOM 0 HD22 LEU A 26 -2.212 -1.661 1.281 1.00 2.01 H new ATOM 0 HD23 LEU A 26 -1.409 -3.238 1.091 1.00 2.01 H new ATOM 382 N THR A 27 -5.191 -5.182 4.449 1.00 0.45 N ATOM 383 CA THR A 27 -5.044 -6.046 5.627 1.00 0.68 C ATOM 384 C THR A 27 -6.185 -7.069 5.735 1.00 1.06 C ATOM 385 O THR A 27 -6.992 -7.044 6.660 1.00 2.06 O ATOM 386 CB THR A 27 -4.879 -5.208 6.909 1.00 1.06 C ATOM 387 OG1 THR A 27 -5.915 -4.262 7.069 1.00 1.30 O ATOM 388 CG2 THR A 27 -3.541 -4.464 6.912 1.00 1.21 C ATOM 0 H THR A 27 -5.411 -4.216 4.692 1.00 0.45 H new ATOM 0 HA THR A 27 -4.130 -6.626 5.502 1.00 0.68 H new ATOM 0 HB THR A 27 -4.917 -5.915 7.738 1.00 1.06 H new ATOM 0 HG1 THR A 27 -5.791 -3.530 6.430 1.00 1.30 H new ATOM 0 HG21 THR A 27 -3.451 -3.881 7.828 1.00 1.21 H new ATOM 0 HG22 THR A 27 -2.724 -5.184 6.859 1.00 1.21 H new ATOM 0 HG23 THR A 27 -3.494 -3.797 6.051 1.00 1.21 H new ATOM 396 N LYS A 28 -6.231 -7.990 4.773 1.00 1.10 N ATOM 397 CA LYS A 28 -7.318 -8.926 4.545 1.00 1.36 C ATOM 398 C LYS A 28 -6.951 -9.927 3.449 1.00 1.30 C ATOM 399 O LYS A 28 -7.265 -11.109 3.580 1.00 1.64 O ATOM 400 CB LYS A 28 -8.621 -8.177 4.213 1.00 1.70 C ATOM 401 CG LYS A 28 -8.549 -7.331 2.932 1.00 1.40 C ATOM 402 CD LYS A 28 -9.117 -8.026 1.684 1.00 1.55 C ATOM 403 CE LYS A 28 -10.587 -7.654 1.447 1.00 2.34 C ATOM 404 NZ LYS A 28 -11.433 -7.942 2.622 1.00 4.27 N ATOM 0 H LYS A 28 -5.472 -8.105 4.102 1.00 1.10 H new ATOM 0 HA LYS A 28 -7.486 -9.490 5.463 1.00 1.36 H new ATOM 0 HB2 LYS A 28 -9.429 -8.902 4.112 1.00 1.70 H new ATOM 0 HB3 LYS A 28 -8.878 -7.528 5.050 1.00 1.70 H new ATOM 0 HG2 LYS A 28 -9.092 -6.400 3.094 1.00 1.40 H new ATOM 0 HG3 LYS A 28 -7.509 -7.065 2.744 1.00 1.40 H new ATOM 0 HD2 LYS A 28 -8.526 -7.748 0.812 1.00 1.55 H new ATOM 0 HD3 LYS A 28 -9.029 -9.107 1.797 1.00 1.55 H new ATOM 0 HE2 LYS A 28 -10.657 -6.594 1.203 1.00 2.34 H new ATOM 0 HE3 LYS A 28 -10.965 -8.205 0.586 1.00 2.34 H new ATOM 0 HZ1 LYS A 28 -12.434 -7.820 2.367 1.00 4.27 H new ATOM 0 HZ2 LYS A 28 -11.272 -8.921 2.934 1.00 4.27 H new ATOM 0 HZ3 LYS A 28 -11.190 -7.288 3.393 1.00 4.27 H new ATOM 418 N HIS A 29 -6.326 -9.478 2.352 1.00 1.16 N ATOM 419 CA HIS A 29 -5.910 -10.404 1.310 1.00 1.50 C ATOM 420 C HIS A 29 -4.707 -11.203 1.805 1.00 1.21 C ATOM 421 O HIS A 29 -3.923 -10.713 2.616 1.00 1.85 O ATOM 422 CB HIS A 29 -5.640 -9.677 -0.014 1.00 1.99 C ATOM 423 CG HIS A 29 -4.486 -8.707 -0.013 1.00 1.25 C ATOM 424 ND1 HIS A 29 -3.150 -9.037 -0.088 1.00 2.61 N ATOM 425 CD2 HIS A 29 -4.583 -7.349 -0.160 1.00 1.08 C ATOM 426 CE1 HIS A 29 -2.462 -7.894 -0.257 1.00 3.63 C ATOM 427 NE2 HIS A 29 -3.289 -6.837 -0.290 1.00 2.91 N ATOM 0 H HIS A 29 -6.104 -8.499 2.172 1.00 1.16 H new ATOM 0 HA HIS A 29 -6.718 -11.104 1.098 1.00 1.50 H new ATOM 0 HB2 HIS A 29 -5.459 -10.425 -0.786 1.00 1.99 H new ATOM 0 HB3 HIS A 29 -6.543 -9.137 -0.299 1.00 1.99 H new ATOM 0 HD1 HIS A 29 -2.756 -9.976 -0.027 1.00 2.61 H new ATOM 0 HD2 HIS A 29 -5.498 -6.775 -0.173 1.00 1.08 H new ATOM 0 HE1 HIS A 29 -1.388 -7.834 -0.353 1.00 3.63 H new ATOM 435 N ARG A 30 -4.554 -12.440 1.326 1.00 1.33 N ATOM 436 CA ARG A 30 -3.391 -13.239 1.675 1.00 1.25 C ATOM 437 C ARG A 30 -2.116 -12.537 1.204 1.00 1.48 C ATOM 438 O ARG A 30 -2.157 -11.676 0.325 1.00 2.95 O ATOM 439 CB ARG A 30 -3.490 -14.641 1.063 1.00 1.64 C ATOM 440 CG ARG A 30 -4.674 -15.435 1.634 1.00 2.37 C ATOM 441 CD ARG A 30 -4.614 -16.902 1.186 1.00 2.84 C ATOM 442 NE ARG A 30 -3.446 -17.591 1.764 1.00 3.35 N ATOM 443 CZ ARG A 30 -3.023 -18.819 1.426 1.00 4.24 C ATOM 444 NH1 ARG A 30 -3.705 -19.534 0.525 1.00 4.62 N ATOM 445 NH2 ARG A 30 -1.921 -19.326 1.992 1.00 5.40 N ATOM 0 H ARG A 30 -5.217 -12.901 0.702 1.00 1.33 H new ATOM 0 HA ARG A 30 -3.355 -13.347 2.759 1.00 1.25 H new ATOM 0 HB2 ARG A 30 -3.597 -14.558 -0.019 1.00 1.64 H new ATOM 0 HB3 ARG A 30 -2.564 -15.185 1.251 1.00 1.64 H new ATOM 0 HG2 ARG A 30 -4.662 -15.382 2.723 1.00 2.37 H new ATOM 0 HG3 ARG A 30 -5.611 -14.987 1.303 1.00 2.37 H new ATOM 0 HD2 ARG A 30 -5.527 -17.414 1.488 1.00 2.84 H new ATOM 0 HD3 ARG A 30 -4.566 -16.951 0.098 1.00 2.84 H new ATOM 0 HE ARG A 30 -2.916 -17.094 2.480 1.00 3.35 H new ATOM 0 HH11 ARG A 30 -4.545 -19.146 0.096 1.00 4.62 H new ATOM 0 HH12 ARG A 30 -3.385 -20.467 0.267 1.00 4.62 H new ATOM 0 HH21 ARG A 30 -1.403 -18.779 2.680 1.00 5.40 H new ATOM 0 HH22 ARG A 30 -1.599 -20.259 1.735 1.00 5.40 H new ATOM 459 N GLY A 31 -0.980 -12.915 1.791 1.00 0.88 N ATOM 460 CA GLY A 31 0.319 -12.432 1.362 1.00 1.13 C ATOM 461 C GLY A 31 0.690 -11.081 1.976 1.00 1.12 C ATOM 462 O GLY A 31 1.790 -10.601 1.735 1.00 1.80 O ATOM 0 H GLY A 31 -0.942 -13.565 2.576 1.00 0.88 H new ATOM 0 HA2 GLY A 31 1.079 -13.166 1.628 1.00 1.13 H new ATOM 0 HA3 GLY A 31 0.327 -12.345 0.276 1.00 1.13 H new ATOM 466 N ILE A 32 -0.207 -10.438 2.731 1.00 0.88 N ATOM 467 CA ILE A 32 0.048 -9.191 3.425 1.00 0.81 C ATOM 468 C ILE A 32 0.357 -9.554 4.888 1.00 0.88 C ATOM 469 O ILE A 32 -0.223 -10.501 5.417 1.00 1.39 O ATOM 470 CB ILE A 32 -1.204 -8.310 3.241 1.00 1.06 C ATOM 471 CG1 ILE A 32 -0.922 -6.804 3.126 1.00 0.84 C ATOM 472 CG2 ILE A 32 -2.227 -8.602 4.337 1.00 1.93 C ATOM 473 CD1 ILE A 32 -0.755 -6.168 4.493 1.00 1.50 C ATOM 0 H ILE A 32 -1.154 -10.788 2.874 1.00 0.88 H new ATOM 0 HA ILE A 32 0.898 -8.624 3.044 1.00 0.81 H new ATOM 0 HB ILE A 32 -1.618 -8.587 2.272 1.00 1.06 H new ATOM 0 HG12 ILE A 32 -0.019 -6.645 2.536 1.00 0.84 H new ATOM 0 HG13 ILE A 32 -1.740 -6.318 2.594 1.00 0.84 H new ATOM 0 HG21 ILE A 32 -3.105 -7.972 4.193 1.00 1.93 H new ATOM 0 HG22 ILE A 32 -2.521 -9.650 4.290 1.00 1.93 H new ATOM 0 HG23 ILE A 32 -1.786 -8.392 5.312 1.00 1.93 H new ATOM 0 HD11 ILE A 32 -0.557 -5.103 4.377 1.00 1.50 H new ATOM 0 HD12 ILE A 32 -1.668 -6.306 5.073 1.00 1.50 H new ATOM 0 HD13 ILE A 32 0.080 -6.638 5.013 1.00 1.50 H new ATOM 485 N LEU A 33 1.237 -8.800 5.550 1.00 0.77 N ATOM 486 CA LEU A 33 1.524 -8.918 6.968 1.00 1.00 C ATOM 487 C LEU A 33 0.868 -7.769 7.750 1.00 0.86 C ATOM 488 O LEU A 33 0.218 -8.015 8.762 1.00 0.99 O ATOM 489 CB LEU A 33 3.047 -8.960 7.134 1.00 1.42 C ATOM 490 CG LEU A 33 3.521 -9.032 8.591 1.00 1.68 C ATOM 491 CD1 LEU A 33 2.965 -10.272 9.294 1.00 2.25 C ATOM 492 CD2 LEU A 33 5.051 -9.081 8.585 1.00 2.77 C ATOM 0 H LEU A 33 1.783 -8.070 5.093 1.00 0.77 H new ATOM 0 HA LEU A 33 1.102 -9.835 7.379 1.00 1.00 H new ATOM 0 HB2 LEU A 33 3.436 -9.824 6.594 1.00 1.42 H new ATOM 0 HB3 LEU A 33 3.476 -8.073 6.668 1.00 1.42 H new ATOM 0 HG LEU A 33 3.162 -8.158 9.134 1.00 1.68 H new ATOM 0 HD11 LEU A 33 3.319 -10.295 10.325 1.00 2.25 H new ATOM 0 HD12 LEU A 33 1.876 -10.238 9.285 1.00 2.25 H new ATOM 0 HD13 LEU A 33 3.304 -11.168 8.774 1.00 2.25 H new ATOM 0 HD21 LEU A 33 5.417 -9.133 9.610 1.00 2.77 H new ATOM 0 HD22 LEU A 33 5.385 -9.961 8.036 1.00 2.77 H new ATOM 0 HD23 LEU A 33 5.442 -8.184 8.105 1.00 2.77 H new ATOM 504 N TYR A 34 1.035 -6.515 7.308 1.00 0.71 N ATOM 505 CA TYR A 34 0.504 -5.332 7.984 1.00 0.69 C ATOM 506 C TYR A 34 0.561 -4.147 7.019 1.00 0.59 C ATOM 507 O TYR A 34 1.307 -4.210 6.050 1.00 0.76 O ATOM 508 CB TYR A 34 1.346 -5.041 9.235 1.00 0.78 C ATOM 509 CG TYR A 34 0.884 -3.849 10.052 1.00 0.91 C ATOM 510 CD1 TYR A 34 -0.409 -3.827 10.605 1.00 2.30 C ATOM 511 CD2 TYR A 34 1.718 -2.723 10.190 1.00 1.25 C ATOM 512 CE1 TYR A 34 -0.884 -2.668 11.243 1.00 2.50 C ATOM 513 CE2 TYR A 34 1.266 -1.590 10.885 1.00 1.23 C ATOM 514 CZ TYR A 34 -0.050 -1.543 11.369 1.00 1.31 C ATOM 515 OH TYR A 34 -0.502 -0.408 11.971 1.00 1.55 O ATOM 0 H TYR A 34 1.552 -6.295 6.457 1.00 0.71 H new ATOM 0 HA TYR A 34 -0.529 -5.501 8.288 1.00 0.69 H new ATOM 0 HB2 TYR A 34 1.340 -5.925 9.873 1.00 0.78 H new ATOM 0 HB3 TYR A 34 2.379 -4.875 8.930 1.00 0.78 H new ATOM 0 HD1 TYR A 34 -1.038 -4.702 10.539 1.00 2.30 H new ATOM 0 HD2 TYR A 34 2.709 -2.731 9.760 1.00 1.25 H new ATOM 0 HE1 TYR A 34 -1.889 -2.642 11.636 1.00 2.50 H new ATOM 0 HE2 TYR A 34 1.931 -0.755 11.047 1.00 1.23 H new ATOM 0 HH TYR A 34 0.208 0.267 11.971 1.00 1.55 H new ATOM 525 N CYS A 35 -0.177 -3.063 7.270 1.00 0.60 N ATOM 526 CA CYS A 35 -0.093 -1.837 6.478 1.00 0.59 C ATOM 527 C CYS A 35 -0.128 -0.652 7.420 1.00 0.62 C ATOM 528 O CYS A 35 -0.642 -0.776 8.528 1.00 0.86 O ATOM 529 CB CYS A 35 -1.296 -1.684 5.540 1.00 0.66 C ATOM 530 SG CYS A 35 -1.174 -2.783 4.127 1.00 1.85 S ATOM 0 H CYS A 35 -0.853 -3.012 8.033 1.00 0.60 H new ATOM 0 HA CYS A 35 0.825 -1.883 5.892 1.00 0.59 H new ATOM 0 HB2 CYS A 35 -2.215 -1.895 6.088 1.00 0.66 H new ATOM 0 HB3 CYS A 35 -1.360 -0.652 5.195 1.00 0.66 H new ATOM 0 HG CYS A 35 -1.949 -3.811 4.309 1.00 1.85 H new ATOM 536 N SER A 36 0.315 0.513 6.942 1.00 0.56 N ATOM 537 CA SER A 36 -0.226 1.770 7.432 1.00 0.74 C ATOM 538 C SER A 36 -0.043 2.836 6.356 1.00 0.63 C ATOM 539 O SER A 36 1.040 2.909 5.768 1.00 0.63 O ATOM 540 CB SER A 36 0.405 2.180 8.768 1.00 1.27 C ATOM 541 OG SER A 36 -0.231 3.340 9.267 1.00 2.35 O ATOM 0 H SER A 36 1.036 0.606 6.227 1.00 0.56 H new ATOM 0 HA SER A 36 -1.291 1.651 7.634 1.00 0.74 H new ATOM 0 HB2 SER A 36 0.313 1.367 9.488 1.00 1.27 H new ATOM 0 HB3 SER A 36 1.470 2.368 8.634 1.00 1.27 H new ATOM 0 HG SER A 36 0.176 3.595 10.121 1.00 2.35 H new ATOM 547 N VAL A 37 -1.084 3.628 6.067 1.00 0.66 N ATOM 548 CA VAL A 37 -1.013 4.727 5.120 1.00 0.60 C ATOM 549 C VAL A 37 -1.246 6.070 5.818 1.00 0.70 C ATOM 550 O VAL A 37 -1.883 6.131 6.867 1.00 0.81 O ATOM 551 CB VAL A 37 -1.981 4.476 3.949 1.00 0.67 C ATOM 552 CG1 VAL A 37 -2.021 2.996 3.544 1.00 1.48 C ATOM 553 CG2 VAL A 37 -3.413 4.887 4.287 1.00 1.73 C ATOM 0 H VAL A 37 -2.004 3.515 6.493 1.00 0.66 H new ATOM 0 HA VAL A 37 -0.009 4.779 4.700 1.00 0.60 H new ATOM 0 HB VAL A 37 -1.599 5.084 3.129 1.00 0.67 H new ATOM 0 HG11 VAL A 37 -2.716 2.864 2.715 1.00 1.48 H new ATOM 0 HG12 VAL A 37 -1.025 2.676 3.237 1.00 1.48 H new ATOM 0 HG13 VAL A 37 -2.350 2.395 4.392 1.00 1.48 H new ATOM 0 HG21 VAL A 37 -4.059 4.692 3.431 1.00 1.73 H new ATOM 0 HG22 VAL A 37 -3.763 4.313 5.145 1.00 1.73 H new ATOM 0 HG23 VAL A 37 -3.440 5.950 4.526 1.00 1.73 H new ATOM 563 N ALA A 38 -0.741 7.161 5.233 1.00 0.79 N ATOM 564 CA ALA A 38 -0.912 8.503 5.771 1.00 0.90 C ATOM 565 C ALA A 38 -0.841 9.545 4.663 1.00 0.78 C ATOM 566 O ALA A 38 0.014 9.470 3.781 1.00 0.63 O ATOM 567 CB ALA A 38 0.133 8.788 6.844 1.00 1.01 C ATOM 0 H ALA A 38 -0.200 7.131 4.369 1.00 0.79 H new ATOM 0 HA ALA A 38 -1.900 8.562 6.228 1.00 0.90 H new ATOM 0 HB1 ALA A 38 -0.011 9.796 7.234 1.00 1.01 H new ATOM 0 HB2 ALA A 38 0.028 8.067 7.655 1.00 1.01 H new ATOM 0 HB3 ALA A 38 1.130 8.706 6.412 1.00 1.01 H new ATOM 573 N LEU A 39 -1.744 10.527 4.736 1.00 0.91 N ATOM 574 CA LEU A 39 -1.927 11.559 3.723 1.00 0.93 C ATOM 575 C LEU A 39 -0.882 12.669 3.823 1.00 0.88 C ATOM 576 O LEU A 39 -0.416 13.171 2.800 1.00 0.95 O ATOM 577 CB LEU A 39 -3.367 12.087 3.760 1.00 1.20 C ATOM 578 CG LEU A 39 -3.745 12.858 5.037 1.00 1.20 C ATOM 579 CD1 LEU A 39 -3.615 14.375 4.833 1.00 1.72 C ATOM 580 CD2 LEU A 39 -5.198 12.539 5.398 1.00 1.50 C ATOM 0 H LEU A 39 -2.383 10.625 5.525 1.00 0.91 H new ATOM 0 HA LEU A 39 -1.766 11.107 2.744 1.00 0.93 H new ATOM 0 HB2 LEU A 39 -3.521 12.740 2.901 1.00 1.20 H new ATOM 0 HB3 LEU A 39 -4.050 11.245 3.647 1.00 1.20 H new ATOM 0 HG LEU A 39 -3.067 12.553 5.834 1.00 1.20 H new ATOM 0 HD11 LEU A 39 -3.889 14.891 5.753 1.00 1.72 H new ATOM 0 HD12 LEU A 39 -2.585 14.620 4.573 1.00 1.72 H new ATOM 0 HD13 LEU A 39 -4.278 14.692 4.028 1.00 1.72 H new ATOM 0 HD21 LEU A 39 -5.476 13.081 6.302 1.00 1.50 H new ATOM 0 HD22 LEU A 39 -5.851 12.841 4.579 1.00 1.50 H new ATOM 0 HD23 LEU A 39 -5.303 11.468 5.570 1.00 1.50 H new ATOM 592 N ALA A 40 -0.453 13.010 5.043 1.00 0.86 N ATOM 593 CA ALA A 40 0.494 14.095 5.267 1.00 0.94 C ATOM 594 C ALA A 40 1.794 13.800 4.527 1.00 0.93 C ATOM 595 O ALA A 40 2.373 14.675 3.891 1.00 1.11 O ATOM 596 CB ALA A 40 0.736 14.263 6.771 1.00 1.04 C ATOM 0 H ALA A 40 -0.754 12.540 5.897 1.00 0.86 H new ATOM 0 HA ALA A 40 0.087 15.029 4.881 1.00 0.94 H new ATOM 0 HB1 ALA A 40 1.444 15.075 6.937 1.00 1.04 H new ATOM 0 HB2 ALA A 40 -0.206 14.496 7.267 1.00 1.04 H new ATOM 0 HB3 ALA A 40 1.142 13.338 7.180 1.00 1.04 H new ATOM 602 N THR A 41 2.217 12.535 4.585 1.00 0.83 N ATOM 603 CA THR A 41 3.366 12.045 3.844 1.00 0.85 C ATOM 604 C THR A 41 2.947 11.457 2.492 1.00 0.74 C ATOM 605 O THR A 41 3.825 11.075 1.720 1.00 0.78 O ATOM 606 CB THR A 41 4.123 11.037 4.720 1.00 0.95 C ATOM 607 OG1 THR A 41 5.259 10.532 4.043 1.00 2.07 O ATOM 608 CG2 THR A 41 3.245 9.874 5.185 1.00 2.02 C ATOM 0 H THR A 41 1.763 11.821 5.155 1.00 0.83 H new ATOM 0 HA THR A 41 4.038 12.871 3.610 1.00 0.85 H new ATOM 0 HB THR A 41 4.438 11.586 5.608 1.00 0.95 H new ATOM 0 HG1 THR A 41 5.087 10.522 3.078 1.00 2.07 H new ATOM 0 HG21 THR A 41 3.836 9.195 5.800 1.00 2.02 H new ATOM 0 HG22 THR A 41 2.410 10.260 5.770 1.00 2.02 H new ATOM 0 HG23 THR A 41 2.863 9.337 4.317 1.00 2.02 H new ATOM 616 N ASN A 42 1.636 11.349 2.235 1.00 0.68 N ATOM 617 CA ASN A 42 1.027 10.691 1.084 1.00 0.64 C ATOM 618 C ASN A 42 1.792 9.418 0.754 1.00 0.62 C ATOM 619 O ASN A 42 2.355 9.270 -0.327 1.00 0.87 O ATOM 620 CB ASN A 42 0.729 11.629 -0.107 1.00 1.01 C ATOM 621 CG ASN A 42 1.635 12.841 -0.265 1.00 1.68 C ATOM 622 OD1 ASN A 42 2.343 12.969 -1.267 1.00 2.46 O ATOM 623 ND2 ASN A 42 1.545 13.778 0.676 1.00 2.83 N ATOM 0 H ASN A 42 0.937 11.743 2.865 1.00 0.68 H new ATOM 0 HA ASN A 42 0.018 10.384 1.360 1.00 0.64 H new ATOM 0 HB2 ASN A 42 0.783 11.042 -1.024 1.00 1.01 H new ATOM 0 HB3 ASN A 42 -0.298 11.982 -0.014 1.00 1.01 H new ATOM 0 HD21 ASN A 42 2.075 14.645 0.585 1.00 2.83 H new ATOM 0 HD22 ASN A 42 0.946 13.629 1.488 1.00 2.83 H new ATOM 630 N LYS A 43 1.810 8.511 1.733 1.00 0.57 N ATOM 631 CA LYS A 43 2.536 7.253 1.696 1.00 0.59 C ATOM 632 C LYS A 43 1.598 6.130 2.122 1.00 0.58 C ATOM 633 O LYS A 43 0.746 6.341 2.985 1.00 0.74 O ATOM 634 CB LYS A 43 3.753 7.333 2.632 1.00 0.76 C ATOM 635 CG LYS A 43 4.698 6.129 2.494 1.00 0.99 C ATOM 636 CD LYS A 43 5.713 6.060 3.643 1.00 1.00 C ATOM 637 CE LYS A 43 6.766 7.175 3.569 1.00 1.23 C ATOM 638 NZ LYS A 43 7.825 6.976 4.579 1.00 2.05 N ATOM 0 H LYS A 43 1.297 8.644 2.605 1.00 0.57 H new ATOM 0 HA LYS A 43 2.894 7.053 0.686 1.00 0.59 H new ATOM 0 HB2 LYS A 43 4.307 8.248 2.422 1.00 0.76 H new ATOM 0 HB3 LYS A 43 3.407 7.400 3.664 1.00 0.76 H new ATOM 0 HG2 LYS A 43 4.113 5.210 2.471 1.00 0.99 H new ATOM 0 HG3 LYS A 43 5.229 6.192 1.544 1.00 0.99 H new ATOM 0 HD2 LYS A 43 5.185 6.127 4.594 1.00 1.00 H new ATOM 0 HD3 LYS A 43 6.213 5.092 3.624 1.00 1.00 H new ATOM 0 HE2 LYS A 43 7.209 7.196 2.573 1.00 1.23 H new ATOM 0 HE3 LYS A 43 6.288 8.142 3.725 1.00 1.23 H new ATOM 0 HZ1 LYS A 43 8.731 7.324 4.205 1.00 2.05 H new ATOM 0 HZ2 LYS A 43 7.583 7.500 5.444 1.00 2.05 H new ATOM 0 HZ3 LYS A 43 7.908 5.963 4.800 1.00 2.05 H new ATOM 652 N ALA A 44 1.796 4.943 1.547 1.00 0.52 N ATOM 653 CA ALA A 44 1.339 3.671 2.072 1.00 0.56 C ATOM 654 C ALA A 44 2.577 2.824 2.321 1.00 0.55 C ATOM 655 O ALA A 44 3.334 2.575 1.381 1.00 0.56 O ATOM 656 CB ALA A 44 0.406 2.983 1.070 1.00 0.63 C ATOM 0 H ALA A 44 2.301 4.846 0.666 1.00 0.52 H new ATOM 0 HA ALA A 44 0.776 3.810 2.995 1.00 0.56 H new ATOM 0 HB1 ALA A 44 0.072 2.030 1.479 1.00 0.63 H new ATOM 0 HB2 ALA A 44 -0.458 3.620 0.881 1.00 0.63 H new ATOM 0 HB3 ALA A 44 0.940 2.810 0.136 1.00 0.63 H new ATOM 662 N HIS A 45 2.798 2.393 3.568 1.00 0.60 N ATOM 663 CA HIS A 45 3.694 1.279 3.817 1.00 0.65 C ATOM 664 C HIS A 45 2.854 0.013 3.772 1.00 0.62 C ATOM 665 O HIS A 45 1.761 -0.018 4.345 1.00 0.66 O ATOM 666 CB HIS A 45 4.496 1.434 5.120 1.00 0.83 C ATOM 667 CG HIS A 45 3.978 0.720 6.350 1.00 0.95 C ATOM 668 ND1 HIS A 45 3.861 1.288 7.595 1.00 1.38 N ATOM 669 CD2 HIS A 45 3.822 -0.637 6.504 1.00 0.95 C ATOM 670 CE1 HIS A 45 3.626 0.299 8.472 1.00 1.58 C ATOM 671 NE2 HIS A 45 3.595 -0.894 7.859 1.00 1.33 N ATOM 0 H HIS A 45 2.372 2.797 4.402 1.00 0.60 H new ATOM 0 HA HIS A 45 4.466 1.237 3.048 1.00 0.65 H new ATOM 0 HB2 HIS A 45 5.512 1.087 4.933 1.00 0.83 H new ATOM 0 HB3 HIS A 45 4.560 2.497 5.351 1.00 0.83 H new ATOM 0 HD1 HIS A 45 3.939 2.281 7.814 1.00 1.38 H new ATOM 0 HD2 HIS A 45 3.867 -1.375 5.717 1.00 0.95 H new ATOM 0 HE1 HIS A 45 3.481 0.445 9.532 1.00 1.58 H new ATOM 679 N ILE A 46 3.398 -1.025 3.139 1.00 0.59 N ATOM 680 CA ILE A 46 2.861 -2.367 3.182 1.00 0.55 C ATOM 681 C ILE A 46 3.972 -3.294 3.670 1.00 0.57 C ATOM 682 O ILE A 46 5.086 -3.259 3.152 1.00 0.65 O ATOM 683 CB ILE A 46 2.340 -2.782 1.798 1.00 0.60 C ATOM 684 CG1 ILE A 46 1.219 -1.857 1.300 1.00 0.69 C ATOM 685 CG2 ILE A 46 1.779 -4.202 1.894 1.00 0.69 C ATOM 686 CD1 ILE A 46 1.714 -0.647 0.504 1.00 1.05 C ATOM 0 H ILE A 46 4.242 -0.946 2.572 1.00 0.59 H new ATOM 0 HA ILE A 46 2.013 -2.424 3.864 1.00 0.55 H new ATOM 0 HB ILE A 46 3.171 -2.721 1.096 1.00 0.60 H new ATOM 0 HG12 ILE A 46 0.537 -2.434 0.676 1.00 0.69 H new ATOM 0 HG13 ILE A 46 0.646 -1.504 2.157 1.00 0.69 H new ATOM 0 HG21 ILE A 46 1.405 -4.512 0.918 1.00 0.69 H new ATOM 0 HG22 ILE A 46 2.567 -4.884 2.214 1.00 0.69 H new ATOM 0 HG23 ILE A 46 0.965 -4.223 2.619 1.00 0.69 H new ATOM 0 HD11 ILE A 46 0.862 -0.045 0.189 1.00 1.05 H new ATOM 0 HD12 ILE A 46 2.372 -0.044 1.130 1.00 1.05 H new ATOM 0 HD13 ILE A 46 2.261 -0.989 -0.375 1.00 1.05 H new ATOM 698 N LYS A 47 3.652 -4.119 4.664 1.00 0.56 N ATOM 699 CA LYS A 47 4.379 -5.314 5.041 1.00 0.62 C ATOM 700 C LYS A 47 3.600 -6.485 4.454 1.00 0.70 C ATOM 701 O LYS A 47 2.370 -6.476 4.479 1.00 1.27 O ATOM 702 CB LYS A 47 4.475 -5.452 6.558 1.00 0.67 C ATOM 703 CG LYS A 47 4.885 -4.155 7.254 1.00 0.86 C ATOM 704 CD LYS A 47 5.470 -4.532 8.617 1.00 1.12 C ATOM 705 CE LYS A 47 5.874 -3.277 9.403 1.00 1.58 C ATOM 706 NZ LYS A 47 6.422 -3.613 10.732 1.00 2.40 N ATOM 0 H LYS A 47 2.836 -3.958 5.254 1.00 0.56 H new ATOM 0 HA LYS A 47 5.402 -5.278 4.666 1.00 0.62 H new ATOM 0 HB2 LYS A 47 3.511 -5.778 6.949 1.00 0.67 H new ATOM 0 HB3 LYS A 47 5.197 -6.231 6.801 1.00 0.67 H new ATOM 0 HG2 LYS A 47 5.620 -3.615 6.657 1.00 0.86 H new ATOM 0 HG3 LYS A 47 4.025 -3.496 7.374 1.00 0.86 H new ATOM 0 HD2 LYS A 47 4.737 -5.103 9.187 1.00 1.12 H new ATOM 0 HD3 LYS A 47 6.339 -5.176 8.479 1.00 1.12 H new ATOM 0 HE2 LYS A 47 6.617 -2.716 8.835 1.00 1.58 H new ATOM 0 HE3 LYS A 47 5.006 -2.628 9.521 1.00 1.58 H new ATOM 0 HZ1 LYS A 47 6.683 -2.739 11.231 1.00 2.40 H new ATOM 0 HZ2 LYS A 47 5.705 -4.126 11.284 1.00 2.40 H new ATOM 0 HZ3 LYS A 47 7.265 -4.212 10.619 1.00 2.40 H new ATOM 720 N TYR A 48 4.296 -7.476 3.913 1.00 0.59 N ATOM 721 CA TYR A 48 3.777 -8.452 2.983 1.00 0.51 C ATOM 722 C TYR A 48 4.865 -9.486 2.697 1.00 0.57 C ATOM 723 O TYR A 48 5.990 -9.326 3.172 1.00 0.97 O ATOM 724 CB TYR A 48 3.317 -7.766 1.683 1.00 0.51 C ATOM 725 CG TYR A 48 4.430 -7.216 0.804 1.00 0.64 C ATOM 726 CD1 TYR A 48 5.357 -6.273 1.292 1.00 2.18 C ATOM 727 CD2 TYR A 48 4.591 -7.723 -0.497 1.00 1.46 C ATOM 728 CE1 TYR A 48 6.493 -5.943 0.536 1.00 2.49 C ATOM 729 CE2 TYR A 48 5.668 -7.308 -1.291 1.00 1.50 C ATOM 730 CZ TYR A 48 6.643 -6.454 -0.761 1.00 1.42 C ATOM 731 OH TYR A 48 7.741 -6.139 -1.503 1.00 1.92 O ATOM 0 H TYR A 48 5.283 -7.622 4.125 1.00 0.59 H new ATOM 0 HA TYR A 48 2.910 -8.950 3.418 1.00 0.51 H new ATOM 0 HB2 TYR A 48 2.738 -8.482 1.100 1.00 0.51 H new ATOM 0 HB3 TYR A 48 2.645 -6.948 1.942 1.00 0.51 H new ATOM 0 HD1 TYR A 48 5.193 -5.803 2.250 1.00 2.18 H new ATOM 0 HD2 TYR A 48 3.880 -8.437 -0.887 1.00 1.46 H new ATOM 0 HE1 TYR A 48 7.251 -5.296 0.953 1.00 2.49 H new ATOM 0 HE2 TYR A 48 5.746 -7.647 -2.313 1.00 1.50 H new ATOM 0 HH TYR A 48 7.683 -6.580 -2.376 1.00 1.92 H new ATOM 741 N ASP A 49 4.533 -10.498 1.892 1.00 0.73 N ATOM 742 CA ASP A 49 5.343 -11.675 1.651 1.00 0.76 C ATOM 743 C ASP A 49 5.807 -11.627 0.181 1.00 0.61 C ATOM 744 O ASP A 49 5.176 -12.231 -0.693 1.00 0.93 O ATOM 745 CB ASP A 49 4.473 -12.903 1.961 1.00 1.22 C ATOM 746 CG ASP A 49 3.843 -12.896 3.354 1.00 2.76 C ATOM 747 OD1 ASP A 49 4.478 -12.358 4.285 1.00 3.49 O ATOM 748 OD2 ASP A 49 2.713 -13.422 3.459 1.00 4.09 O ATOM 0 H ASP A 49 3.655 -10.512 1.373 1.00 0.73 H new ATOM 0 HA ASP A 49 6.231 -11.723 2.281 1.00 0.76 H new ATOM 0 HB2 ASP A 49 3.679 -12.968 1.217 1.00 1.22 H new ATOM 0 HB3 ASP A 49 5.082 -13.801 1.856 1.00 1.22 H new ATOM 753 N PRO A 50 6.869 -10.862 -0.138 1.00 0.65 N ATOM 754 CA PRO A 50 7.232 -10.524 -1.508 1.00 0.78 C ATOM 755 C PRO A 50 7.364 -11.731 -2.427 1.00 0.90 C ATOM 756 O PRO A 50 6.897 -11.688 -3.562 1.00 1.10 O ATOM 757 CB PRO A 50 8.535 -9.718 -1.431 1.00 1.01 C ATOM 758 CG PRO A 50 9.042 -9.944 -0.009 1.00 1.23 C ATOM 759 CD PRO A 50 7.757 -10.173 0.780 1.00 1.02 C ATOM 0 HA PRO A 50 6.430 -9.941 -1.960 1.00 0.78 H new ATOM 0 HB2 PRO A 50 9.259 -10.062 -2.170 1.00 1.01 H new ATOM 0 HB3 PRO A 50 8.359 -8.660 -1.626 1.00 1.01 H new ATOM 0 HG2 PRO A 50 9.710 -10.803 0.050 1.00 1.23 H new ATOM 0 HG3 PRO A 50 9.597 -9.083 0.364 1.00 1.23 H new ATOM 0 HD2 PRO A 50 7.943 -10.771 1.672 1.00 1.02 H new ATOM 0 HD3 PRO A 50 7.325 -9.229 1.113 1.00 1.02 H new ATOM 767 N GLU A 51 8.005 -12.801 -1.955 1.00 1.11 N ATOM 768 CA GLU A 51 8.264 -13.968 -2.781 1.00 1.28 C ATOM 769 C GLU A 51 6.984 -14.644 -3.293 1.00 1.34 C ATOM 770 O GLU A 51 7.047 -15.329 -4.313 1.00 1.83 O ATOM 771 CB GLU A 51 9.196 -14.940 -2.047 1.00 1.41 C ATOM 772 CG GLU A 51 8.707 -15.363 -0.656 1.00 2.42 C ATOM 773 CD GLU A 51 9.638 -16.415 -0.069 1.00 2.68 C ATOM 774 OE1 GLU A 51 10.848 -16.107 0.014 1.00 2.67 O ATOM 775 OE2 GLU A 51 9.132 -17.502 0.275 1.00 3.72 O ATOM 0 H GLU A 51 8.354 -12.878 -0.999 1.00 1.11 H new ATOM 0 HA GLU A 51 8.774 -13.626 -3.682 1.00 1.28 H new ATOM 0 HB2 GLU A 51 9.325 -15.832 -2.660 1.00 1.41 H new ATOM 0 HB3 GLU A 51 10.178 -14.477 -1.948 1.00 1.41 H new ATOM 0 HG2 GLU A 51 8.666 -14.495 0.002 1.00 2.42 H new ATOM 0 HG3 GLU A 51 7.694 -15.760 -0.724 1.00 2.42 H new ATOM 782 N ILE A 52 5.841 -14.467 -2.613 1.00 1.06 N ATOM 783 CA ILE A 52 4.587 -15.099 -3.014 1.00 1.15 C ATOM 784 C ILE A 52 3.660 -14.143 -3.762 1.00 1.20 C ATOM 785 O ILE A 52 3.253 -14.438 -4.883 1.00 1.52 O ATOM 786 CB ILE A 52 3.899 -15.820 -1.838 1.00 1.10 C ATOM 787 CG1 ILE A 52 3.782 -14.973 -0.564 1.00 0.87 C ATOM 788 CG2 ILE A 52 4.641 -17.134 -1.549 1.00 1.29 C ATOM 789 CD1 ILE A 52 2.984 -15.705 0.523 1.00 1.08 C ATOM 0 H ILE A 52 5.766 -13.886 -1.778 1.00 1.06 H new ATOM 0 HA ILE A 52 4.843 -15.876 -3.734 1.00 1.15 H new ATOM 0 HB ILE A 52 2.872 -16.018 -2.146 1.00 1.10 H new ATOM 0 HG12 ILE A 52 4.778 -14.737 -0.190 1.00 0.87 H new ATOM 0 HG13 ILE A 52 3.297 -14.026 -0.798 1.00 0.87 H new ATOM 0 HG21 ILE A 52 4.159 -17.649 -0.718 1.00 1.29 H new ATOM 0 HG22 ILE A 52 4.614 -17.769 -2.434 1.00 1.29 H new ATOM 0 HG23 ILE A 52 5.677 -16.917 -1.290 1.00 1.29 H new ATOM 0 HD11 ILE A 52 2.920 -15.078 1.412 1.00 1.08 H new ATOM 0 HD12 ILE A 52 1.980 -15.918 0.156 1.00 1.08 H new ATOM 0 HD13 ILE A 52 3.484 -16.640 0.774 1.00 1.08 H new ATOM 801 N ILE A 53 3.288 -13.025 -3.139 1.00 1.01 N ATOM 802 CA ILE A 53 2.270 -12.135 -3.699 1.00 0.96 C ATOM 803 C ILE A 53 2.916 -11.094 -4.613 1.00 0.94 C ATOM 804 O ILE A 53 2.459 -10.850 -5.728 1.00 1.10 O ATOM 805 CB ILE A 53 1.386 -11.536 -2.588 1.00 0.86 C ATOM 806 CG1 ILE A 53 0.344 -10.595 -3.207 1.00 0.94 C ATOM 807 CG2 ILE A 53 2.162 -10.789 -1.499 1.00 0.75 C ATOM 808 CD1 ILE A 53 -0.930 -10.537 -2.360 1.00 1.20 C ATOM 0 H ILE A 53 3.675 -12.714 -2.248 1.00 1.01 H new ATOM 0 HA ILE A 53 1.592 -12.710 -4.329 1.00 0.96 H new ATOM 0 HB ILE A 53 0.909 -12.383 -2.096 1.00 0.86 H new ATOM 0 HG12 ILE A 53 0.766 -9.594 -3.301 1.00 0.94 H new ATOM 0 HG13 ILE A 53 0.098 -10.934 -4.214 1.00 0.94 H new ATOM 0 HG21 ILE A 53 1.465 -10.400 -0.757 1.00 0.75 H new ATOM 0 HG22 ILE A 53 2.861 -11.472 -1.016 1.00 0.75 H new ATOM 0 HG23 ILE A 53 2.714 -9.963 -1.947 1.00 0.75 H new ATOM 0 HD11 ILE A 53 -1.647 -9.862 -2.827 1.00 1.20 H new ATOM 0 HD12 ILE A 53 -1.365 -11.534 -2.288 1.00 1.20 H new ATOM 0 HD13 ILE A 53 -0.687 -10.174 -1.361 1.00 1.20 H new ATOM 820 N GLY A 54 4.011 -10.508 -4.138 1.00 0.97 N ATOM 821 CA GLY A 54 4.798 -9.544 -4.881 1.00 1.02 C ATOM 822 C GLY A 54 4.234 -8.126 -4.749 1.00 0.91 C ATOM 823 O GLY A 54 3.035 -7.932 -4.559 1.00 0.81 O ATOM 0 H GLY A 54 4.379 -10.698 -3.206 1.00 0.97 H new ATOM 0 HA2 GLY A 54 5.827 -9.561 -4.522 1.00 1.02 H new ATOM 0 HA3 GLY A 54 4.823 -9.829 -5.933 1.00 1.02 H new ATOM 827 N PRO A 55 5.101 -7.109 -4.852 1.00 1.03 N ATOM 828 CA PRO A 55 4.720 -5.714 -4.699 1.00 1.05 C ATOM 829 C PRO A 55 3.792 -5.249 -5.826 1.00 1.08 C ATOM 830 O PRO A 55 2.944 -4.385 -5.610 1.00 1.02 O ATOM 831 CB PRO A 55 6.039 -4.936 -4.672 1.00 1.36 C ATOM 832 CG PRO A 55 7.015 -5.836 -5.431 1.00 1.48 C ATOM 833 CD PRO A 55 6.529 -7.244 -5.088 1.00 1.24 C ATOM 0 HA PRO A 55 4.146 -5.550 -3.787 1.00 1.05 H new ATOM 0 HB2 PRO A 55 5.938 -3.963 -5.152 1.00 1.36 H new ATOM 0 HB3 PRO A 55 6.375 -4.755 -3.651 1.00 1.36 H new ATOM 0 HG2 PRO A 55 6.984 -5.649 -6.504 1.00 1.48 H new ATOM 0 HG3 PRO A 55 8.044 -5.676 -5.110 1.00 1.48 H new ATOM 0 HD2 PRO A 55 6.729 -7.939 -5.904 1.00 1.24 H new ATOM 0 HD3 PRO A 55 7.039 -7.632 -4.206 1.00 1.24 H new ATOM 841 N ARG A 56 3.941 -5.808 -7.033 1.00 1.21 N ATOM 842 CA ARG A 56 3.118 -5.417 -8.171 1.00 1.32 C ATOM 843 C ARG A 56 1.626 -5.584 -7.867 1.00 1.13 C ATOM 844 O ARG A 56 0.830 -4.713 -8.220 1.00 1.02 O ATOM 845 CB ARG A 56 3.529 -6.188 -9.435 1.00 1.59 C ATOM 846 CG ARG A 56 2.706 -5.665 -10.619 1.00 1.95 C ATOM 847 CD ARG A 56 3.101 -6.264 -11.969 1.00 2.28 C ATOM 848 NE ARG A 56 2.184 -5.733 -12.986 1.00 3.54 N ATOM 849 CZ ARG A 56 1.992 -6.176 -14.232 1.00 4.63 C ATOM 850 NH1 ARG A 56 2.793 -7.113 -14.751 1.00 4.77 N ATOM 851 NH2 ARG A 56 0.978 -5.660 -14.931 1.00 6.16 N ATOM 0 H ARG A 56 4.627 -6.534 -7.241 1.00 1.21 H new ATOM 0 HA ARG A 56 3.289 -4.357 -8.360 1.00 1.32 H new ATOM 0 HB2 ARG A 56 4.594 -6.057 -9.628 1.00 1.59 H new ATOM 0 HB3 ARG A 56 3.358 -7.256 -9.299 1.00 1.59 H new ATOM 0 HG2 ARG A 56 1.652 -5.874 -10.435 1.00 1.95 H new ATOM 0 HG3 ARG A 56 2.811 -4.581 -10.670 1.00 1.95 H new ATOM 0 HD2 ARG A 56 4.132 -6.007 -12.213 1.00 2.28 H new ATOM 0 HD3 ARG A 56 3.044 -7.352 -11.935 1.00 2.28 H new ATOM 0 HE ARG A 56 1.625 -4.927 -12.707 1.00 3.54 H new ATOM 0 HH11 ARG A 56 3.558 -7.495 -14.195 1.00 4.77 H new ATOM 0 HH12 ARG A 56 2.639 -7.445 -15.703 1.00 4.77 H new ATOM 0 HH21 ARG A 56 0.378 -4.950 -14.511 1.00 6.16 H new ATOM 0 HH22 ARG A 56 0.803 -5.976 -15.885 1.00 6.16 H new ATOM 865 N ASP A 57 1.250 -6.699 -7.233 1.00 1.13 N ATOM 866 CA ASP A 57 -0.130 -6.962 -6.841 1.00 1.03 C ATOM 867 C ASP A 57 -0.661 -5.796 -6.009 1.00 0.88 C ATOM 868 O ASP A 57 -1.687 -5.199 -6.330 1.00 0.82 O ATOM 869 CB ASP A 57 -0.190 -8.266 -6.043 1.00 1.02 C ATOM 870 CG ASP A 57 -1.586 -8.490 -5.482 1.00 1.54 C ATOM 871 OD1 ASP A 57 -1.866 -7.889 -4.424 1.00 2.71 O ATOM 872 OD2 ASP A 57 -2.344 -9.243 -6.128 1.00 2.31 O ATOM 0 H ASP A 57 1.899 -7.444 -6.979 1.00 1.13 H new ATOM 0 HA ASP A 57 -0.753 -7.064 -7.729 1.00 1.03 H new ATOM 0 HB2 ASP A 57 0.088 -9.103 -6.683 1.00 1.02 H new ATOM 0 HB3 ASP A 57 0.534 -8.233 -5.228 1.00 1.02 H new ATOM 877 N ILE A 58 0.081 -5.447 -4.960 1.00 0.82 N ATOM 878 CA ILE A 58 -0.245 -4.362 -4.053 1.00 0.69 C ATOM 879 C ILE A 58 -0.377 -3.050 -4.824 1.00 0.72 C ATOM 880 O ILE A 58 -1.375 -2.344 -4.675 1.00 0.76 O ATOM 881 CB ILE A 58 0.816 -4.354 -2.938 1.00 0.71 C ATOM 882 CG1 ILE A 58 0.519 -5.515 -1.970 1.00 0.71 C ATOM 883 CG2 ILE A 58 0.881 -3.026 -2.180 1.00 0.72 C ATOM 884 CD1 ILE A 58 1.799 -6.097 -1.370 1.00 0.78 C ATOM 0 H ILE A 58 0.947 -5.927 -4.716 1.00 0.82 H new ATOM 0 HA ILE A 58 -1.216 -4.499 -3.577 1.00 0.69 H new ATOM 0 HB ILE A 58 1.794 -4.481 -3.403 1.00 0.71 H new ATOM 0 HG12 ILE A 58 -0.130 -5.163 -1.169 1.00 0.71 H new ATOM 0 HG13 ILE A 58 -0.024 -6.299 -2.498 1.00 0.71 H new ATOM 0 HG21 ILE A 58 1.648 -3.085 -1.408 1.00 0.72 H new ATOM 0 HG22 ILE A 58 1.126 -2.222 -2.874 1.00 0.72 H new ATOM 0 HG23 ILE A 58 -0.085 -2.823 -1.717 1.00 0.72 H new ATOM 0 HD11 ILE A 58 1.545 -6.913 -0.693 1.00 0.78 H new ATOM 0 HD12 ILE A 58 2.437 -6.474 -2.169 1.00 0.78 H new ATOM 0 HD13 ILE A 58 2.329 -5.320 -0.819 1.00 0.78 H new ATOM 896 N ILE A 59 0.603 -2.735 -5.671 1.00 0.70 N ATOM 897 CA ILE A 59 0.567 -1.538 -6.496 1.00 0.69 C ATOM 898 C ILE A 59 -0.724 -1.505 -7.323 1.00 0.65 C ATOM 899 O ILE A 59 -1.499 -0.558 -7.199 1.00 0.65 O ATOM 900 CB ILE A 59 1.866 -1.437 -7.321 1.00 0.74 C ATOM 901 CG1 ILE A 59 3.041 -1.117 -6.376 1.00 1.02 C ATOM 902 CG2 ILE A 59 1.778 -0.375 -8.426 1.00 0.90 C ATOM 903 CD1 ILE A 59 4.409 -1.396 -7.005 1.00 1.44 C ATOM 0 H ILE A 59 1.440 -3.304 -5.801 1.00 0.70 H new ATOM 0 HA ILE A 59 0.536 -0.641 -5.878 1.00 0.69 H new ATOM 0 HB ILE A 59 2.024 -2.396 -7.814 1.00 0.74 H new ATOM 0 HG12 ILE A 59 2.989 -0.068 -6.083 1.00 1.02 H new ATOM 0 HG13 ILE A 59 2.939 -1.708 -5.466 1.00 1.02 H new ATOM 0 HG21 ILE A 59 2.718 -0.344 -8.977 1.00 0.90 H new ATOM 0 HG22 ILE A 59 0.966 -0.626 -9.108 1.00 0.90 H new ATOM 0 HG23 ILE A 59 1.588 0.601 -7.979 1.00 0.90 H new ATOM 0 HD11 ILE A 59 5.195 -1.151 -6.290 1.00 1.44 H new ATOM 0 HD12 ILE A 59 4.478 -2.450 -7.273 1.00 1.44 H new ATOM 0 HD13 ILE A 59 4.529 -0.786 -7.900 1.00 1.44 H new ATOM 915 N HIS A 60 -0.996 -2.534 -8.131 1.00 0.69 N ATOM 916 CA HIS A 60 -2.209 -2.566 -8.945 1.00 0.70 C ATOM 917 C HIS A 60 -3.478 -2.529 -8.087 1.00 0.64 C ATOM 918 O HIS A 60 -4.464 -1.893 -8.457 1.00 0.62 O ATOM 919 CB HIS A 60 -2.204 -3.776 -9.885 1.00 0.80 C ATOM 920 CG HIS A 60 -1.285 -3.625 -11.073 1.00 1.31 C ATOM 921 ND1 HIS A 60 -1.011 -2.458 -11.753 1.00 2.40 N ATOM 922 CD2 HIS A 60 -0.706 -4.649 -11.772 1.00 1.49 C ATOM 923 CE1 HIS A 60 -0.259 -2.775 -12.820 1.00 2.63 C ATOM 924 NE2 HIS A 60 -0.042 -4.103 -12.881 1.00 2.09 N ATOM 0 H HIS A 60 -0.394 -3.351 -8.237 1.00 0.69 H new ATOM 0 HA HIS A 60 -2.215 -1.663 -9.556 1.00 0.70 H new ATOM 0 HB2 HIS A 60 -1.909 -4.661 -9.321 1.00 0.80 H new ATOM 0 HB3 HIS A 60 -3.219 -3.950 -10.243 1.00 0.80 H new ATOM 0 HD1 HIS A 60 -1.323 -1.522 -11.493 1.00 2.40 H new ATOM 0 HD2 HIS A 60 -0.752 -5.697 -11.515 1.00 1.49 H new ATOM 0 HE1 HIS A 60 0.121 -2.060 -13.534 1.00 2.63 H new ATOM 932 N THR A 61 -3.470 -3.189 -6.930 1.00 0.66 N ATOM 933 CA THR A 61 -4.606 -3.156 -6.022 1.00 0.67 C ATOM 934 C THR A 61 -4.879 -1.708 -5.615 1.00 0.54 C ATOM 935 O THR A 61 -5.999 -1.224 -5.743 1.00 0.59 O ATOM 936 CB THR A 61 -4.365 -4.086 -4.824 1.00 0.78 C ATOM 937 OG1 THR A 61 -4.237 -5.409 -5.295 1.00 0.91 O ATOM 938 CG2 THR A 61 -5.533 -4.064 -3.835 1.00 0.88 C ATOM 0 H THR A 61 -2.686 -3.753 -6.602 1.00 0.66 H new ATOM 0 HA THR A 61 -5.500 -3.532 -6.519 1.00 0.67 H new ATOM 0 HB THR A 61 -3.465 -3.741 -4.316 1.00 0.78 H new ATOM 0 HG1 THR A 61 -3.352 -5.528 -5.698 1.00 0.91 H new ATOM 0 HG21 THR A 61 -5.319 -4.736 -3.004 1.00 0.88 H new ATOM 0 HG22 THR A 61 -5.670 -3.051 -3.456 1.00 0.88 H new ATOM 0 HG23 THR A 61 -6.443 -4.389 -4.339 1.00 0.88 H new ATOM 946 N ILE A 62 -3.860 -0.989 -5.156 1.00 0.46 N ATOM 947 CA ILE A 62 -3.999 0.391 -4.720 1.00 0.42 C ATOM 948 C ILE A 62 -4.379 1.316 -5.878 1.00 0.42 C ATOM 949 O ILE A 62 -5.238 2.184 -5.715 1.00 0.46 O ATOM 950 CB ILE A 62 -2.698 0.805 -4.041 1.00 0.51 C ATOM 951 CG1 ILE A 62 -2.593 0.026 -2.722 1.00 0.66 C ATOM 952 CG2 ILE A 62 -2.639 2.309 -3.773 1.00 0.64 C ATOM 953 CD1 ILE A 62 -1.205 0.212 -2.143 1.00 2.22 C ATOM 0 H ILE A 62 -2.910 -1.352 -5.077 1.00 0.46 H new ATOM 0 HA ILE A 62 -4.818 0.476 -4.005 1.00 0.42 H new ATOM 0 HB ILE A 62 -1.862 0.575 -4.701 1.00 0.51 H new ATOM 0 HG12 ILE A 62 -3.345 0.379 -2.016 1.00 0.66 H new ATOM 0 HG13 ILE A 62 -2.790 -1.032 -2.894 1.00 0.66 H new ATOM 0 HG21 ILE A 62 -1.694 2.555 -3.289 1.00 0.64 H new ATOM 0 HG22 ILE A 62 -2.715 2.850 -4.716 1.00 0.64 H new ATOM 0 HG23 ILE A 62 -3.466 2.595 -3.123 1.00 0.64 H new ATOM 0 HD11 ILE A 62 -1.125 -0.339 -1.206 1.00 2.22 H new ATOM 0 HD12 ILE A 62 -0.463 -0.162 -2.849 1.00 2.22 H new ATOM 0 HD13 ILE A 62 -1.027 1.271 -1.957 1.00 2.22 H new ATOM 965 N GLU A 63 -3.742 1.134 -7.035 1.00 0.47 N ATOM 966 CA GLU A 63 -4.081 1.809 -8.272 1.00 0.54 C ATOM 967 C GLU A 63 -5.591 1.673 -8.498 1.00 0.54 C ATOM 968 O GLU A 63 -6.295 2.659 -8.700 1.00 0.62 O ATOM 969 CB GLU A 63 -3.250 1.140 -9.376 1.00 0.62 C ATOM 970 CG GLU A 63 -3.315 1.836 -10.732 1.00 0.78 C ATOM 971 CD GLU A 63 -2.548 1.063 -11.805 1.00 1.86 C ATOM 972 OE1 GLU A 63 -1.869 0.075 -11.442 1.00 3.05 O ATOM 973 OE2 GLU A 63 -2.660 1.465 -12.980 1.00 2.61 O ATOM 0 H GLU A 63 -2.955 0.493 -7.132 1.00 0.47 H new ATOM 0 HA GLU A 63 -3.855 2.875 -8.258 1.00 0.54 H new ATOM 0 HB2 GLU A 63 -2.210 1.098 -9.054 1.00 0.62 H new ATOM 0 HB3 GLU A 63 -3.589 0.111 -9.494 1.00 0.62 H new ATOM 0 HG2 GLU A 63 -4.356 1.943 -11.036 1.00 0.78 H new ATOM 0 HG3 GLU A 63 -2.903 2.841 -10.644 1.00 0.78 H new ATOM 980 N SER A 64 -6.086 0.438 -8.387 1.00 0.59 N ATOM 981 CA SER A 64 -7.499 0.118 -8.551 1.00 0.65 C ATOM 982 C SER A 64 -8.353 0.769 -7.452 1.00 0.62 C ATOM 983 O SER A 64 -9.407 1.337 -7.731 1.00 0.66 O ATOM 984 CB SER A 64 -7.674 -1.403 -8.614 1.00 0.75 C ATOM 985 OG SER A 64 -9.001 -1.749 -8.959 1.00 1.04 O ATOM 0 H SER A 64 -5.507 -0.375 -8.178 1.00 0.59 H new ATOM 0 HA SER A 64 -7.857 0.536 -9.492 1.00 0.65 H new ATOM 0 HB2 SER A 64 -6.984 -1.822 -9.346 1.00 0.75 H new ATOM 0 HB3 SER A 64 -7.420 -1.842 -7.649 1.00 0.75 H new ATOM 0 HG SER A 64 -9.086 -2.725 -8.994 1.00 1.04 H new ATOM 991 N LEU A 65 -7.906 0.703 -6.191 1.00 0.64 N ATOM 992 CA LEU A 65 -8.634 1.276 -5.064 1.00 0.69 C ATOM 993 C LEU A 65 -8.741 2.792 -5.207 1.00 0.75 C ATOM 994 O LEU A 65 -9.732 3.372 -4.751 1.00 0.78 O ATOM 995 CB LEU A 65 -7.993 0.889 -3.724 1.00 0.79 C ATOM 996 CG LEU A 65 -8.165 -0.597 -3.368 1.00 1.27 C ATOM 997 CD1 LEU A 65 -7.219 -0.950 -2.217 1.00 2.16 C ATOM 998 CD2 LEU A 65 -9.600 -0.931 -2.942 1.00 1.66 C ATOM 0 H LEU A 65 -7.030 0.250 -5.929 1.00 0.64 H new ATOM 0 HA LEU A 65 -9.642 0.861 -5.072 1.00 0.69 H new ATOM 0 HB2 LEU A 65 -6.930 1.126 -3.757 1.00 0.79 H new ATOM 0 HB3 LEU A 65 -8.430 1.497 -2.932 1.00 0.79 H new ATOM 0 HG LEU A 65 -7.934 -1.177 -4.262 1.00 1.27 H new ATOM 0 HD11 LEU A 65 -7.336 -2.003 -1.960 1.00 2.16 H new ATOM 0 HD12 LEU A 65 -6.189 -0.763 -2.522 1.00 2.16 H new ATOM 0 HD13 LEU A 65 -7.457 -0.336 -1.349 1.00 2.16 H new ATOM 0 HD21 LEU A 65 -9.670 -1.992 -2.701 1.00 1.66 H new ATOM 0 HD22 LEU A 65 -9.866 -0.341 -2.065 1.00 1.66 H new ATOM 0 HD23 LEU A 65 -10.285 -0.698 -3.757 1.00 1.66 H new ATOM 1010 N GLY A 66 -7.751 3.420 -5.844 1.00 0.95 N ATOM 1011 CA GLY A 66 -7.920 4.718 -6.485 1.00 0.87 C ATOM 1012 C GLY A 66 -6.937 5.739 -5.939 1.00 0.68 C ATOM 1013 O GLY A 66 -7.340 6.818 -5.506 1.00 0.71 O ATOM 0 H GLY A 66 -6.809 3.039 -5.928 1.00 0.95 H new ATOM 0 HA2 GLY A 66 -7.780 4.615 -7.561 1.00 0.87 H new ATOM 0 HA3 GLY A 66 -8.939 5.072 -6.329 1.00 0.87 H new ATOM 1017 N PHE A 67 -5.649 5.392 -5.965 1.00 0.62 N ATOM 1018 CA PHE A 67 -4.570 6.242 -5.477 1.00 0.57 C ATOM 1019 C PHE A 67 -3.407 6.175 -6.467 1.00 0.64 C ATOM 1020 O PHE A 67 -3.479 5.402 -7.420 1.00 0.78 O ATOM 1021 CB PHE A 67 -4.179 5.769 -4.071 1.00 0.63 C ATOM 1022 CG PHE A 67 -5.343 5.746 -3.099 1.00 0.59 C ATOM 1023 CD1 PHE A 67 -5.771 6.949 -2.515 1.00 1.98 C ATOM 1024 CD2 PHE A 67 -6.120 4.582 -2.947 1.00 1.96 C ATOM 1025 CE1 PHE A 67 -6.988 7.003 -1.815 1.00 1.93 C ATOM 1026 CE2 PHE A 67 -7.312 4.625 -2.203 1.00 1.97 C ATOM 1027 CZ PHE A 67 -7.737 5.832 -1.622 1.00 0.48 C ATOM 0 H PHE A 67 -5.325 4.497 -6.332 1.00 0.62 H new ATOM 0 HA PHE A 67 -4.877 7.285 -5.404 1.00 0.57 H new ATOM 0 HB2 PHE A 67 -3.751 4.769 -4.138 1.00 0.63 H new ATOM 0 HB3 PHE A 67 -3.400 6.423 -3.679 1.00 0.63 H new ATOM 0 HD1 PHE A 67 -5.162 7.837 -2.604 1.00 1.98 H new ATOM 0 HD2 PHE A 67 -5.800 3.656 -3.402 1.00 1.96 H new ATOM 0 HE1 PHE A 67 -7.347 7.944 -1.426 1.00 1.93 H new ATOM 0 HE2 PHE A 67 -7.902 3.729 -2.078 1.00 1.97 H new ATOM 0 HZ PHE A 67 -8.639 5.858 -1.028 1.00 0.48 H new ATOM 1037 N GLU A 68 -2.344 6.964 -6.254 1.00 0.69 N ATOM 1038 CA GLU A 68 -1.177 7.001 -7.147 1.00 0.81 C ATOM 1039 C GLU A 68 0.039 6.304 -6.523 1.00 0.73 C ATOM 1040 O GLU A 68 0.924 7.011 -6.056 1.00 0.82 O ATOM 1041 CB GLU A 68 -0.874 8.471 -7.515 1.00 1.08 C ATOM 1042 CG GLU A 68 0.330 8.706 -8.451 1.00 2.34 C ATOM 1043 CD GLU A 68 1.115 9.961 -8.062 1.00 3.24 C ATOM 1044 OE1 GLU A 68 1.987 9.867 -7.161 1.00 4.35 O ATOM 1045 OE2 GLU A 68 0.799 11.031 -8.616 1.00 3.54 O ATOM 0 H GLU A 68 -2.269 7.595 -5.456 1.00 0.69 H new ATOM 0 HA GLU A 68 -1.406 6.447 -8.058 1.00 0.81 H new ATOM 0 HB2 GLU A 68 -1.761 8.896 -7.985 1.00 1.08 H new ATOM 0 HB3 GLU A 68 -0.704 9.027 -6.593 1.00 1.08 H new ATOM 0 HG2 GLU A 68 0.990 7.839 -8.419 1.00 2.34 H new ATOM 0 HG3 GLU A 68 -0.021 8.801 -9.478 1.00 2.34 H new ATOM 1052 N PRO A 69 0.116 4.957 -6.499 1.00 0.66 N ATOM 1053 CA PRO A 69 1.211 4.220 -5.875 1.00 0.65 C ATOM 1054 C PRO A 69 2.528 4.368 -6.646 1.00 0.72 C ATOM 1055 O PRO A 69 3.027 3.425 -7.259 1.00 1.27 O ATOM 1056 CB PRO A 69 0.733 2.771 -5.758 1.00 0.62 C ATOM 1057 CG PRO A 69 -0.269 2.642 -6.894 1.00 0.63 C ATOM 1058 CD PRO A 69 -0.891 4.031 -6.983 1.00 0.67 C ATOM 0 HA PRO A 69 1.446 4.619 -4.888 1.00 0.65 H new ATOM 0 HB2 PRO A 69 1.557 2.065 -5.866 1.00 0.62 H new ATOM 0 HB3 PRO A 69 0.271 2.576 -4.790 1.00 0.62 H new ATOM 0 HG2 PRO A 69 0.218 2.360 -7.828 1.00 0.63 H new ATOM 0 HG3 PRO A 69 -1.019 1.880 -6.683 1.00 0.63 H new ATOM 0 HD2 PRO A 69 -1.175 4.266 -8.009 1.00 0.67 H new ATOM 0 HD3 PRO A 69 -1.797 4.091 -6.380 1.00 0.67 H new ATOM 1066 N SER A 70 3.117 5.556 -6.567 1.00 0.74 N ATOM 1067 CA SER A 70 4.427 5.854 -7.100 1.00 0.92 C ATOM 1068 C SER A 70 5.476 5.219 -6.190 1.00 0.86 C ATOM 1069 O SER A 70 5.604 5.559 -5.010 1.00 1.10 O ATOM 1070 CB SER A 70 4.615 7.367 -7.182 1.00 1.13 C ATOM 1071 OG SER A 70 3.629 7.943 -8.016 1.00 2.08 O ATOM 0 H SER A 70 2.677 6.358 -6.115 1.00 0.74 H new ATOM 0 HA SER A 70 4.533 5.447 -8.105 1.00 0.92 H new ATOM 0 HB2 SER A 70 4.555 7.802 -6.184 1.00 1.13 H new ATOM 0 HB3 SER A 70 5.607 7.596 -7.570 1.00 1.13 H new ATOM 0 HG SER A 70 3.232 8.718 -7.566 1.00 2.08 H new ATOM 1077 N LEU A 71 6.248 4.292 -6.746 1.00 0.83 N ATOM 1078 CA LEU A 71 7.297 3.578 -6.042 1.00 0.83 C ATOM 1079 C LEU A 71 8.520 4.488 -5.889 1.00 1.04 C ATOM 1080 O LEU A 71 9.551 4.289 -6.522 1.00 1.86 O ATOM 1081 CB LEU A 71 7.587 2.264 -6.784 1.00 1.15 C ATOM 1082 CG LEU A 71 8.046 1.178 -5.808 1.00 2.12 C ATOM 1083 CD1 LEU A 71 8.193 -0.156 -6.549 1.00 3.09 C ATOM 1084 CD2 LEU A 71 9.371 1.520 -5.124 1.00 3.05 C ATOM 0 H LEU A 71 6.156 4.012 -7.723 1.00 0.83 H new ATOM 0 HA LEU A 71 6.990 3.309 -5.031 1.00 0.83 H new ATOM 0 HB2 LEU A 71 6.691 1.932 -7.309 1.00 1.15 H new ATOM 0 HB3 LEU A 71 8.356 2.429 -7.539 1.00 1.15 H new ATOM 0 HG LEU A 71 7.284 1.106 -5.032 1.00 2.12 H new ATOM 0 HD11 LEU A 71 8.520 -0.926 -5.850 1.00 3.09 H new ATOM 0 HD12 LEU A 71 7.233 -0.441 -6.980 1.00 3.09 H new ATOM 0 HD13 LEU A 71 8.931 -0.051 -7.344 1.00 3.09 H new ATOM 0 HD21 LEU A 71 9.648 0.715 -4.443 1.00 3.05 H new ATOM 0 HD22 LEU A 71 10.149 1.641 -5.878 1.00 3.05 H new ATOM 0 HD23 LEU A 71 9.262 2.448 -4.563 1.00 3.05 H new ATOM 1096 N VAL A 72 8.380 5.514 -5.051 1.00 1.57 N ATOM 1097 CA VAL A 72 9.389 6.553 -4.879 1.00 1.89 C ATOM 1098 C VAL A 72 10.489 6.113 -3.922 1.00 1.22 C ATOM 1099 O VAL A 72 11.639 6.502 -4.096 1.00 1.59 O ATOM 1100 CB VAL A 72 8.728 7.867 -4.419 1.00 3.09 C ATOM 1101 CG1 VAL A 72 9.756 8.963 -4.103 1.00 4.02 C ATOM 1102 CG2 VAL A 72 7.789 8.400 -5.507 1.00 4.34 C ATOM 0 H VAL A 72 7.554 5.647 -4.467 1.00 1.57 H new ATOM 0 HA VAL A 72 9.864 6.730 -5.844 1.00 1.89 H new ATOM 0 HB VAL A 72 8.177 7.630 -3.509 1.00 3.09 H new ATOM 0 HG11 VAL A 72 9.237 9.867 -3.784 1.00 4.02 H new ATOM 0 HG12 VAL A 72 10.417 8.623 -3.306 1.00 4.02 H new ATOM 0 HG13 VAL A 72 10.344 9.178 -4.995 1.00 4.02 H new ATOM 0 HG21 VAL A 72 7.329 9.328 -5.168 1.00 4.34 H new ATOM 0 HG22 VAL A 72 8.357 8.588 -6.418 1.00 4.34 H new ATOM 0 HG23 VAL A 72 7.012 7.663 -5.710 1.00 4.34 H new ATOM 1112 N LYS A 73 10.139 5.368 -2.872 1.00 1.41 N ATOM 1113 CA LYS A 73 11.092 5.145 -1.804 1.00 2.19 C ATOM 1114 C LYS A 73 12.280 4.314 -2.288 1.00 2.53 C ATOM 1115 O LYS A 73 13.412 4.636 -1.940 1.00 3.31 O ATOM 1116 CB LYS A 73 10.397 4.570 -0.561 1.00 3.90 C ATOM 1117 CG LYS A 73 11.292 4.657 0.688 1.00 5.13 C ATOM 1118 CD LYS A 73 12.249 3.459 0.800 1.00 5.77 C ATOM 1119 CE LYS A 73 13.647 3.811 1.344 1.00 6.60 C ATOM 1120 NZ LYS A 73 14.353 4.793 0.491 1.00 6.61 N ATOM 0 H LYS A 73 9.229 4.924 -2.746 1.00 1.41 H new ATOM 0 HA LYS A 73 11.510 6.104 -1.497 1.00 2.19 H new ATOM 0 HB2 LYS A 73 9.468 5.112 -0.381 1.00 3.90 H new ATOM 0 HB3 LYS A 73 10.129 3.529 -0.744 1.00 3.90 H new ATOM 0 HG2 LYS A 73 11.870 5.580 0.655 1.00 5.13 H new ATOM 0 HG3 LYS A 73 10.666 4.705 1.579 1.00 5.13 H new ATOM 0 HD2 LYS A 73 11.798 2.709 1.449 1.00 5.77 H new ATOM 0 HD3 LYS A 73 12.359 3.004 -0.184 1.00 5.77 H new ATOM 0 HE2 LYS A 73 13.551 4.213 2.353 1.00 6.60 H new ATOM 0 HE3 LYS A 73 14.244 2.902 1.418 1.00 6.60 H new ATOM 0 HZ1 LYS A 73 15.341 4.496 0.364 1.00 6.61 H new ATOM 0 HZ2 LYS A 73 13.886 4.846 -0.437 1.00 6.61 H new ATOM 0 HZ3 LYS A 73 14.328 5.728 0.945 1.00 6.61 H new ATOM 1134 N ILE A 74 12.054 3.213 -3.008 1.00 3.80 N ATOM 1135 CA ILE A 74 13.167 2.408 -3.503 1.00 5.39 C ATOM 1136 C ILE A 74 13.860 3.183 -4.626 1.00 5.80 C ATOM 1137 O ILE A 74 13.209 3.922 -5.362 1.00 5.88 O ATOM 1138 CB ILE A 74 12.704 0.999 -3.913 1.00 7.17 C ATOM 1139 CG1 ILE A 74 11.929 0.286 -2.784 1.00 7.86 C ATOM 1140 CG2 ILE A 74 13.888 0.136 -4.370 1.00 8.32 C ATOM 1141 CD1 ILE A 74 12.758 -0.004 -1.525 1.00 8.42 C ATOM 0 H ILE A 74 11.128 2.865 -3.257 1.00 3.80 H new ATOM 0 HA ILE A 74 13.897 2.238 -2.712 1.00 5.39 H new ATOM 0 HB ILE A 74 12.020 1.129 -4.752 1.00 7.17 H new ATOM 0 HG12 ILE A 74 11.072 0.900 -2.506 1.00 7.86 H new ATOM 0 HG13 ILE A 74 11.536 -0.655 -3.169 1.00 7.86 H new ATOM 0 HG21 ILE A 74 13.529 -0.853 -4.653 1.00 8.32 H new ATOM 0 HG22 ILE A 74 14.371 0.606 -5.227 1.00 8.32 H new ATOM 0 HG23 ILE A 74 14.606 0.042 -3.555 1.00 8.32 H new ATOM 0 HD11 ILE A 74 12.134 -0.506 -0.786 1.00 8.42 H new ATOM 0 HD12 ILE A 74 13.600 -0.645 -1.784 1.00 8.42 H new ATOM 0 HD13 ILE A 74 13.130 0.933 -1.110 1.00 8.42 H new ATOM 1153 N GLU A 75 15.182 3.055 -4.703 1.00 6.66 N ATOM 1154 CA GLU A 75 16.091 3.990 -5.325 1.00 7.39 C ATOM 1155 C GLU A 75 17.410 3.227 -5.472 1.00 8.48 C ATOM 1156 O GLU A 75 18.253 3.673 -6.279 1.00 9.42 O ATOM 1157 CB GLU A 75 16.217 5.236 -4.422 1.00 7.29 C ATOM 1158 CG GLU A 75 16.596 4.897 -2.962 1.00 7.41 C ATOM 1159 CD GLU A 75 16.419 6.053 -1.983 1.00 7.66 C ATOM 1160 OE1 GLU A 75 16.417 7.217 -2.433 1.00 7.85 O ATOM 1161 OE2 GLU A 75 16.272 5.742 -0.774 1.00 8.18 O ATOM 1162 OXT GLU A 75 17.523 2.181 -4.787 1.00 8.82 O ATOM 0 H GLU A 75 15.666 2.248 -4.309 1.00 6.66 H new ATOM 0 HA GLU A 75 15.758 4.349 -6.299 1.00 7.39 H new ATOM 0 HB2 GLU A 75 16.970 5.904 -4.840 1.00 7.29 H new ATOM 0 HB3 GLU A 75 15.271 5.778 -4.428 1.00 7.29 H new ATOM 0 HG2 GLU A 75 15.988 4.056 -2.627 1.00 7.41 H new ATOM 0 HG3 GLU A 75 17.635 4.570 -2.935 1.00 7.41 H new TER 1169 GLU A 75