USER MOD reduce.3.24.130724 H: found=0, std=0, add=1260, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1257 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 60 ASN : amide:sc= 0.567 K(o=1.6,f=-0.82) USER MOD Set 1.2: B 62 GLN : amide:sc= 1.02 K(o=1.6,f=-0.65) USER MOD Set 2.1: B 55 THR OG1 : rot -72:sc= 1.04 USER MOD Set 2.2: B 57 SER OG : rot -80:sc= 0.509 USER MOD Set 3.1: A 49 GLN : amide:sc= 0.535 K(o=0.33,f=-6.2) USER MOD Set 3.2: B 49 GLN : amide:sc= -0.21 K(o=0.33,f=-6.2!) USER MOD Set 4.1: B 7 THR OG1 : rot 34:sc= 1.19 USER MOD Set 4.2: B 9 THR OG1 : rot 180:sc= 0.0846 USER MOD Set 5.1: A 60 ASN : amide:sc= 0.385 K(o=0.97,f=-2.4!) USER MOD Set 5.2: A 62 GLN : amide:sc= 0.582 K(o=0.97,f=-0.42) USER MOD Set 6.1: A 7 THR OG1 : rot 160:sc=-0.00601 USER MOD Set 6.2: A 9 THR OG1 : rot 130:sc= 0.0774 USER MOD Single : A 1 MET CE :methyl -178:sc= -0.216 (180deg=-0.218) USER MOD Single : A 1 MET N :NH3+ 167:sc= 1.94 (180deg=1.32) USER MOD Single : A 2 GLN : amide:sc= 1.15 K(o=1.2,f=-0.024) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 1.19 (180deg=0.851) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0453 USER MOD Single : A 14 THR OG1 : rot -97:sc= 0.0967 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 150:sc= 0.528 USER MOD Single : A 25 ASN : amide:sc= 0.866 K(o=0.87,f=-1.5!) USER MOD Single : A 27 LYS NZ :NH3+ 141:sc= 2.2 (180deg=0.509) USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 1.15 (180deg=1.14) USER MOD Single : A 31 GLN : amide:sc= -1.45 K(o=-1.4,f=-2) USER MOD Single : A 33 LYS NZ :NH3+ 155:sc= 0.295 (180deg=0.113) USER MOD Single : A 40 GLN : amide:sc= 0.635 K(o=0.64,f=-1.4) USER MOD Single : A 41 GLN : amide:sc= -1.09 K(o=-1.1,f=-8.1!) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= 0.787 (180deg=0.413) USER MOD Single : A 55 THR OG1 : rot 75:sc= 1.29 USER MOD Single : A 57 SER OG : rot -81:sc= 1.44 USER MOD Single : A 59 TYR OH : rot 33:sc= 1.13 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -120:sc= 0.408 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.252 K(o=-0.25,f=-3.2!) USER MOD Single : B 1 MET CE :methyl -170:sc= -0.0161 (180deg=-0.297) USER MOD Single : B 1 MET N :NH3+ 174:sc= 1.8 (180deg=1.65) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ -109:sc= 0.33! (180deg=-0.0384) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0.0243 USER MOD Single : B 22 THR OG1 : rot 151:sc= 1.11 USER MOD Single : B 25 ASN : amide:sc= 0.886 K(o=0.89,f=-1.5!) USER MOD Single : B 27 LYS NZ :NH3+ -152:sc= 0.0761 (180deg=-0.92!) USER MOD Single : B 29 LYS NZ :NH3+ -164:sc= 1.2 (180deg=0.828) USER MOD Single : B 31 GLN : amide:sc= -1.6 X(o=-1.6,f=-2.1) USER MOD Single : B 33 LYS NZ :NH3+ -120:sc= 0.807 (180deg=-0.185) USER MOD Single : B 40 GLN : amide:sc= 0.208 X(o=0.21,f=0) USER MOD Single : B 41 GLN : amide:sc= -0.0327 K(o=-0.033,f=-7!) USER MOD Single : B 48 LYS NZ :NH3+ -113:sc= 0 (180deg=-1.1) USER MOD Single : B 59 TYR OH : rot 50:sc= 1.03 USER MOD Single : B 63 LYS NZ :NH3+ 162:sc= -0.0921 (180deg=-0.444) USER MOD Single : B 65 SER OG : rot 118:sc= 0.978 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HE2:sc= 0.877 K(o=0.88,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.128 23.505 7.119 1.00 0.86 N ATOM 2 CA MET A 1 -3.465 22.894 7.268 1.00 0.85 C ATOM 3 C MET A 1 -3.364 21.557 7.995 1.00 0.82 C ATOM 4 O MET A 1 -2.402 20.807 7.812 1.00 0.77 O ATOM 5 CB MET A 1 -4.130 22.704 5.898 1.00 0.81 C ATOM 6 CG MET A 1 -3.423 21.706 4.995 1.00 0.73 C ATOM 7 SD MET A 1 -4.236 21.530 3.395 1.00 0.79 S ATOM 8 CE MET A 1 -3.280 20.200 2.669 1.00 0.71 C ATOM 0 H1 MET A 1 -2.179 24.292 6.441 1.00 0.86 H new ATOM 0 H2 MET A 1 -1.805 23.863 8.041 1.00 0.86 H new ATOM 0 H3 MET A 1 -1.457 22.791 6.771 1.00 0.86 H new ATOM 0 HA MET A 1 -4.083 23.568 7.862 1.00 0.85 H new ATOM 0 HB2 MET A 1 -5.158 22.376 6.048 1.00 0.81 H new ATOM 0 HB3 MET A 1 -4.174 23.668 5.391 1.00 0.81 H new ATOM 0 HG2 MET A 1 -2.392 22.025 4.842 1.00 0.73 H new ATOM 0 HG3 MET A 1 -3.386 20.735 5.490 1.00 0.73 H new ATOM 0 HE1 MET A 1 -3.642 20.001 1.660 1.00 0.71 H new ATOM 0 HE2 MET A 1 -2.229 20.488 2.628 1.00 0.71 H new ATOM 0 HE3 MET A 1 -3.386 19.302 3.277 1.00 0.71 H new ATOM 20 N GLN A 2 -4.362 21.269 8.815 1.00 0.85 N ATOM 21 CA GLN A 2 -4.401 20.039 9.588 1.00 0.84 C ATOM 22 C GLN A 2 -4.896 18.878 8.733 1.00 0.75 C ATOM 23 O GLN A 2 -5.767 19.052 7.880 1.00 0.76 O ATOM 24 CB GLN A 2 -5.314 20.235 10.803 1.00 0.95 C ATOM 25 CG GLN A 2 -5.557 18.975 11.615 1.00 1.04 C ATOM 26 CD GLN A 2 -6.278 19.255 12.918 1.00 1.15 C ATOM 27 OE1 GLN A 2 -5.649 19.491 13.949 1.00 1.32 O ATOM 28 NE2 GLN A 2 -7.599 19.250 12.881 1.00 1.48 N ATOM 0 H GLN A 2 -5.165 21.880 8.963 1.00 0.85 H new ATOM 0 HA GLN A 2 -3.393 19.799 9.926 1.00 0.84 H new ATOM 0 HB2 GLN A 2 -4.876 20.993 11.453 1.00 0.95 H new ATOM 0 HB3 GLN A 2 -6.274 20.624 10.462 1.00 0.95 H new ATOM 0 HG2 GLN A 2 -6.143 18.272 11.023 1.00 1.04 H new ATOM 0 HG3 GLN A 2 -4.602 18.494 11.828 1.00 1.04 H new ATOM 0 HE21 GLN A 2 -8.084 19.050 12.006 1.00 1.48 H new ATOM 0 HE22 GLN A 2 -8.134 19.447 13.727 1.00 1.48 H new ATOM 37 N ILE A 3 -4.340 17.700 8.974 1.00 0.67 N ATOM 38 CA ILE A 3 -4.713 16.496 8.244 1.00 0.59 C ATOM 39 C ILE A 3 -4.691 15.302 9.188 1.00 0.56 C ATOM 40 O ILE A 3 -4.031 15.343 10.228 1.00 0.59 O ATOM 41 CB ILE A 3 -3.772 16.200 7.053 1.00 0.52 C ATOM 42 CG1 ILE A 3 -2.312 16.172 7.513 1.00 0.51 C ATOM 43 CG2 ILE A 3 -3.971 17.217 5.939 1.00 0.54 C ATOM 44 CD1 ILE A 3 -1.410 15.357 6.615 1.00 0.44 C ATOM 0 H ILE A 3 -3.619 17.551 9.680 1.00 0.67 H new ATOM 0 HA ILE A 3 -5.713 16.666 7.845 1.00 0.59 H new ATOM 0 HB ILE A 3 -4.023 15.216 6.657 1.00 0.52 H new ATOM 0 HG12 ILE A 3 -1.935 17.194 7.561 1.00 0.51 H new ATOM 0 HG13 ILE A 3 -2.266 15.767 8.524 1.00 0.51 H new ATOM 0 HG21 ILE A 3 -3.298 16.988 5.113 1.00 0.54 H new ATOM 0 HG22 ILE A 3 -5.003 17.176 5.589 1.00 0.54 H new ATOM 0 HG23 ILE A 3 -3.755 18.217 6.316 1.00 0.54 H new ATOM 0 HD11 ILE A 3 -0.392 15.382 7.003 1.00 0.44 H new ATOM 0 HD12 ILE A 3 -1.761 14.326 6.586 1.00 0.44 H new ATOM 0 HD13 ILE A 3 -1.426 15.774 5.608 1.00 0.44 H new ATOM 56 N PHE A 4 -5.409 14.250 8.828 1.00 0.54 N ATOM 57 CA PHE A 4 -5.465 13.049 9.643 1.00 0.55 C ATOM 58 C PHE A 4 -5.050 11.840 8.823 1.00 0.53 C ATOM 59 O PHE A 4 -5.623 11.570 7.772 1.00 0.56 O ATOM 60 CB PHE A 4 -6.879 12.828 10.188 1.00 0.59 C ATOM 61 CG PHE A 4 -7.352 13.907 11.123 1.00 0.73 C ATOM 62 CD1 PHE A 4 -6.958 13.910 12.452 1.00 0.79 C ATOM 63 CD2 PHE A 4 -8.198 14.908 10.675 1.00 0.96 C ATOM 64 CE1 PHE A 4 -7.396 14.897 13.315 1.00 0.98 C ATOM 65 CE2 PHE A 4 -8.638 15.896 11.533 1.00 1.11 C ATOM 66 CZ PHE A 4 -8.238 15.890 12.856 1.00 1.08 C ATOM 0 H PHE A 4 -5.963 14.205 7.973 1.00 0.54 H new ATOM 0 HA PHE A 4 -4.778 13.177 10.480 1.00 0.55 H new ATOM 0 HB2 PHE A 4 -7.573 12.758 9.350 1.00 0.59 H new ATOM 0 HB3 PHE A 4 -6.911 11.871 10.709 1.00 0.59 H new ATOM 0 HD1 PHE A 4 -6.302 13.133 12.817 1.00 0.79 H new ATOM 0 HD2 PHE A 4 -8.517 14.916 9.643 1.00 0.96 H new ATOM 0 HE1 PHE A 4 -7.080 14.891 14.348 1.00 0.98 H new ATOM 0 HE2 PHE A 4 -9.294 16.673 11.171 1.00 1.11 H new ATOM 0 HZ PHE A 4 -8.583 16.661 13.529 1.00 1.08 H new ATOM 76 N VAL A 5 -4.045 11.125 9.288 1.00 0.53 N ATOM 77 CA VAL A 5 -3.578 9.940 8.586 1.00 0.54 C ATOM 78 C VAL A 5 -3.691 8.727 9.496 1.00 0.57 C ATOM 79 O VAL A 5 -3.043 8.664 10.541 1.00 0.62 O ATOM 80 CB VAL A 5 -2.116 10.088 8.108 1.00 0.54 C ATOM 81 CG1 VAL A 5 -1.784 9.030 7.068 1.00 0.60 C ATOM 82 CG2 VAL A 5 -1.861 11.483 7.554 1.00 0.49 C ATOM 0 H VAL A 5 -3.536 11.340 10.145 1.00 0.53 H new ATOM 0 HA VAL A 5 -4.207 9.811 7.705 1.00 0.54 H new ATOM 0 HB VAL A 5 -1.463 9.943 8.969 1.00 0.54 H new ATOM 0 HG11 VAL A 5 -0.750 9.150 6.744 1.00 0.60 H new ATOM 0 HG12 VAL A 5 -1.915 8.039 7.503 1.00 0.60 H new ATOM 0 HG13 VAL A 5 -2.449 9.141 6.211 1.00 0.60 H new ATOM 0 HG21 VAL A 5 -0.825 11.560 7.225 1.00 0.49 H new ATOM 0 HG22 VAL A 5 -2.525 11.666 6.709 1.00 0.49 H new ATOM 0 HG23 VAL A 5 -2.051 12.223 8.331 1.00 0.49 H new ATOM 92 N LYS A 6 -4.538 7.780 9.119 1.00 0.58 N ATOM 93 CA LYS A 6 -4.737 6.578 9.918 1.00 0.61 C ATOM 94 C LYS A 6 -4.186 5.349 9.210 1.00 0.57 C ATOM 95 O LYS A 6 -4.581 5.033 8.082 1.00 0.56 O ATOM 96 CB LYS A 6 -6.225 6.372 10.207 1.00 0.68 C ATOM 97 CG LYS A 6 -6.921 7.613 10.736 1.00 0.70 C ATOM 98 CD LYS A 6 -8.372 7.333 11.086 1.00 0.83 C ATOM 99 CE LYS A 6 -9.103 8.614 11.445 1.00 1.43 C ATOM 100 NZ LYS A 6 -10.311 8.361 12.274 1.00 1.82 N ATOM 0 H LYS A 6 -5.098 7.820 8.267 1.00 0.58 H new ATOM 0 HA LYS A 6 -4.198 6.711 10.856 1.00 0.61 H new ATOM 0 HB2 LYS A 6 -6.722 6.049 9.292 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -6.337 5.566 10.932 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -6.396 7.976 11.620 1.00 0.70 H new ATOM 0 HG3 LYS A 6 -6.873 8.405 9.988 1.00 0.70 H new ATOM 0 HD2 LYS A 6 -8.867 6.852 10.242 1.00 0.83 H new ATOM 0 HD3 LYS A 6 -8.420 6.636 11.923 1.00 0.83 H new ATOM 0 HE2 LYS A 6 -8.427 9.276 11.985 1.00 1.43 H new ATOM 0 HE3 LYS A 6 -9.394 9.132 10.531 1.00 1.43 H new ATOM 0 HZ1 LYS A 6 -10.777 9.265 12.494 1.00 1.82 H new ATOM 0 HZ2 LYS A 6 -10.970 7.750 11.750 1.00 1.82 H new ATOM 0 HZ3 LYS A 6 -10.033 7.891 13.159 1.00 1.82 H new ATOM 114 N THR A 7 -3.272 4.660 9.872 1.00 0.59 N ATOM 115 CA THR A 7 -2.684 3.455 9.317 1.00 0.58 C ATOM 116 C THR A 7 -3.639 2.280 9.514 1.00 0.61 C ATOM 117 O THR A 7 -4.537 2.340 10.355 1.00 0.67 O ATOM 118 CB THR A 7 -1.309 3.142 9.952 1.00 0.60 C ATOM 119 OG1 THR A 7 -0.684 2.043 9.275 1.00 1.25 O ATOM 120 CG2 THR A 7 -1.446 2.813 11.429 1.00 0.94 C ATOM 0 H THR A 7 -2.921 4.916 10.795 1.00 0.59 H new ATOM 0 HA THR A 7 -2.520 3.618 8.252 1.00 0.58 H new ATOM 0 HB THR A 7 -0.689 4.033 9.850 1.00 0.60 H new ATOM 0 HG1 THR A 7 0.280 2.055 9.452 1.00 1.25 H new ATOM 0 HG21 THR A 7 -0.462 2.598 11.847 1.00 0.94 H new ATOM 0 HG22 THR A 7 -1.884 3.663 11.952 1.00 0.94 H new ATOM 0 HG23 THR A 7 -2.090 1.942 11.550 1.00 0.94 H new ATOM 128 N LEU A 8 -3.440 1.221 8.740 1.00 0.63 N ATOM 129 CA LEU A 8 -4.283 0.032 8.818 1.00 0.69 C ATOM 130 C LEU A 8 -4.200 -0.604 10.205 1.00 0.72 C ATOM 131 O LEU A 8 -5.103 -1.326 10.629 1.00 0.82 O ATOM 132 CB LEU A 8 -3.863 -0.974 7.742 1.00 0.78 C ATOM 133 CG LEU A 8 -4.897 -2.055 7.412 1.00 0.95 C ATOM 134 CD1 LEU A 8 -6.184 -1.429 6.896 1.00 1.58 C ATOM 135 CD2 LEU A 8 -4.336 -3.032 6.389 1.00 1.89 C ATOM 0 H LEU A 8 -2.696 1.160 8.045 1.00 0.63 H new ATOM 0 HA LEU A 8 -5.318 0.327 8.645 1.00 0.69 H new ATOM 0 HB2 LEU A 8 -3.631 -0.427 6.828 1.00 0.78 H new ATOM 0 HB3 LEU A 8 -2.943 -1.462 8.064 1.00 0.78 H new ATOM 0 HG LEU A 8 -5.124 -2.601 8.327 1.00 0.95 H new ATOM 0 HD11 LEU A 8 -6.905 -2.214 6.668 1.00 1.58 H new ATOM 0 HD12 LEU A 8 -6.597 -0.767 7.657 1.00 1.58 H new ATOM 0 HD13 LEU A 8 -5.973 -0.856 5.993 1.00 1.58 H new ATOM 0 HD21 LEU A 8 -5.083 -3.794 6.165 1.00 1.89 H new ATOM 0 HD22 LEU A 8 -4.080 -2.495 5.475 1.00 1.89 H new ATOM 0 HD23 LEU A 8 -3.442 -3.508 6.792 1.00 1.89 H new ATOM 147 N THR A 9 -3.109 -0.330 10.903 1.00 0.67 N ATOM 148 CA THR A 9 -2.904 -0.850 12.241 1.00 0.72 C ATOM 149 C THR A 9 -3.789 -0.113 13.251 1.00 0.79 C ATOM 150 O THR A 9 -4.141 -0.653 14.300 1.00 0.93 O ATOM 151 CB THR A 9 -1.427 -0.707 12.640 1.00 0.67 C ATOM 152 OG1 THR A 9 -0.630 -0.563 11.455 1.00 1.02 O ATOM 153 CG2 THR A 9 -0.956 -1.918 13.432 1.00 0.80 C ATOM 0 H THR A 9 -2.347 0.255 10.559 1.00 0.67 H new ATOM 0 HA THR A 9 -3.178 -1.905 12.245 1.00 0.72 H new ATOM 0 HB THR A 9 -1.319 0.175 13.272 1.00 0.67 H new ATOM 0 HG1 THR A 9 -0.037 0.211 11.552 1.00 1.02 H new ATOM 0 HG21 THR A 9 0.092 -1.791 13.702 1.00 0.80 H new ATOM 0 HG22 THR A 9 -1.554 -2.016 14.338 1.00 0.80 H new ATOM 0 HG23 THR A 9 -1.068 -2.816 12.825 1.00 0.80 H new ATOM 161 N GLY A 10 -4.165 1.119 12.921 1.00 0.77 N ATOM 162 CA GLY A 10 -5.011 1.898 13.805 1.00 0.89 C ATOM 163 C GLY A 10 -4.427 3.255 14.145 1.00 0.91 C ATOM 164 O GLY A 10 -5.162 4.237 14.256 1.00 1.31 O ATOM 0 H GLY A 10 -3.898 1.591 12.057 1.00 0.77 H new ATOM 0 HA2 GLY A 10 -5.986 2.036 13.337 1.00 0.89 H new ATOM 0 HA3 GLY A 10 -5.176 1.339 14.726 1.00 0.89 H new ATOM 168 N LYS A 11 -3.105 3.303 14.312 1.00 0.91 N ATOM 169 CA LYS A 11 -2.396 4.544 14.656 1.00 0.92 C ATOM 170 C LYS A 11 -2.840 5.720 13.789 1.00 0.82 C ATOM 171 O LYS A 11 -2.822 5.648 12.557 1.00 0.78 O ATOM 172 CB LYS A 11 -0.877 4.348 14.528 1.00 0.92 C ATOM 173 CG LYS A 11 -0.075 5.646 14.561 1.00 1.03 C ATOM 174 CD LYS A 11 0.069 6.189 15.974 1.00 1.32 C ATOM 175 CE LYS A 11 1.137 5.443 16.763 1.00 1.41 C ATOM 176 NZ LYS A 11 2.499 5.689 16.222 1.00 1.51 N ATOM 0 H LYS A 11 -2.496 2.491 14.214 1.00 0.91 H new ATOM 0 HA LYS A 11 -2.648 4.780 15.690 1.00 0.92 H new ATOM 0 HB2 LYS A 11 -0.536 3.702 15.337 1.00 0.92 H new ATOM 0 HB3 LYS A 11 -0.666 3.827 13.594 1.00 0.92 H new ATOM 0 HG2 LYS A 11 0.914 5.472 14.136 1.00 1.03 H new ATOM 0 HG3 LYS A 11 -0.565 6.391 13.934 1.00 1.03 H new ATOM 0 HD2 LYS A 11 0.322 7.248 15.932 1.00 1.32 H new ATOM 0 HD3 LYS A 11 -0.887 6.110 16.492 1.00 1.32 H new ATOM 0 HE2 LYS A 11 1.100 5.753 17.807 1.00 1.41 H new ATOM 0 HE3 LYS A 11 0.925 4.374 16.740 1.00 1.41 H new ATOM 0 HZ1 LYS A 11 3.209 5.368 16.910 1.00 1.51 H new ATOM 0 HZ2 LYS A 11 2.618 5.166 15.331 1.00 1.51 H new ATOM 0 HZ3 LYS A 11 2.624 6.706 16.045 1.00 1.51 H new ATOM 190 N THR A 12 -3.248 6.790 14.451 1.00 0.80 N ATOM 191 CA THR A 12 -3.684 7.999 13.783 1.00 0.74 C ATOM 192 C THR A 12 -2.721 9.141 14.102 1.00 0.75 C ATOM 193 O THR A 12 -2.296 9.301 15.247 1.00 0.79 O ATOM 194 CB THR A 12 -5.111 8.381 14.224 1.00 0.70 C ATOM 195 OG1 THR A 12 -5.999 7.278 13.987 1.00 0.74 O ATOM 196 CG2 THR A 12 -5.613 9.615 13.486 1.00 0.70 C ATOM 0 H THR A 12 -3.285 6.842 15.469 1.00 0.80 H new ATOM 0 HA THR A 12 -3.691 7.818 12.708 1.00 0.74 H new ATOM 0 HB THR A 12 -5.085 8.615 15.288 1.00 0.70 H new ATOM 0 HG1 THR A 12 -6.905 7.521 14.269 1.00 0.74 H new ATOM 0 HG21 THR A 12 -6.622 9.855 13.822 1.00 0.70 H new ATOM 0 HG22 THR A 12 -4.952 10.457 13.693 1.00 0.70 H new ATOM 0 HG23 THR A 12 -5.625 9.418 12.414 1.00 0.70 H new ATOM 204 N ILE A 13 -2.367 9.917 13.091 1.00 0.77 N ATOM 205 CA ILE A 13 -1.449 11.030 13.274 1.00 0.85 C ATOM 206 C ILE A 13 -2.050 12.324 12.742 1.00 0.75 C ATOM 207 O ILE A 13 -2.824 12.317 11.782 1.00 0.68 O ATOM 208 CB ILE A 13 -0.098 10.768 12.577 1.00 1.03 C ATOM 209 CG1 ILE A 13 -0.326 10.204 11.173 1.00 1.10 C ATOM 210 CG2 ILE A 13 0.755 9.821 13.412 1.00 1.31 C ATOM 211 CD1 ILE A 13 0.946 9.823 10.450 1.00 1.24 C ATOM 0 H ILE A 13 -2.701 9.797 12.135 1.00 0.77 H new ATOM 0 HA ILE A 13 -1.275 11.129 14.346 1.00 0.85 H new ATOM 0 HB ILE A 13 0.437 11.713 12.482 1.00 1.03 H new ATOM 0 HG12 ILE A 13 -0.968 9.326 11.245 1.00 1.10 H new ATOM 0 HG13 ILE A 13 -0.863 10.943 10.578 1.00 1.10 H new ATOM 0 HG21 ILE A 13 1.705 9.646 12.907 1.00 1.31 H new ATOM 0 HG22 ILE A 13 0.940 10.265 14.390 1.00 1.31 H new ATOM 0 HG23 ILE A 13 0.231 8.874 13.537 1.00 1.31 H new ATOM 0 HD11 ILE A 13 0.700 9.432 9.463 1.00 1.24 H new ATOM 0 HD12 ILE A 13 1.582 10.702 10.344 1.00 1.24 H new ATOM 0 HD13 ILE A 13 1.475 9.060 11.021 1.00 1.24 H new ATOM 223 N THR A 14 -1.705 13.425 13.389 1.00 0.80 N ATOM 224 CA THR A 14 -2.186 14.739 12.997 1.00 0.79 C ATOM 225 C THR A 14 -1.003 15.660 12.719 1.00 0.78 C ATOM 226 O THR A 14 -0.173 15.894 13.600 1.00 0.84 O ATOM 227 CB THR A 14 -3.068 15.354 14.100 1.00 0.91 C ATOM 228 OG1 THR A 14 -4.072 14.412 14.509 1.00 1.31 O ATOM 229 CG2 THR A 14 -3.734 16.631 13.616 1.00 1.07 C ATOM 0 H THR A 14 -1.085 13.433 14.199 1.00 0.80 H new ATOM 0 HA THR A 14 -2.786 14.628 12.094 1.00 0.79 H new ATOM 0 HB THR A 14 -2.429 15.597 14.949 1.00 0.91 H new ATOM 0 HG1 THR A 14 -4.911 14.603 14.040 1.00 1.31 H new ATOM 0 HG21 THR A 14 -4.351 17.045 14.414 1.00 1.07 H new ATOM 0 HG22 THR A 14 -2.970 17.356 13.335 1.00 1.07 H new ATOM 0 HG23 THR A 14 -4.360 16.410 12.751 1.00 1.07 H new ATOM 237 N LEU A 15 -0.906 16.151 11.492 1.00 0.73 N ATOM 238 CA LEU A 15 0.190 17.036 11.116 1.00 0.75 C ATOM 239 C LEU A 15 -0.331 18.301 10.443 1.00 0.77 C ATOM 240 O LEU A 15 -1.468 18.341 9.965 1.00 0.77 O ATOM 241 CB LEU A 15 1.170 16.318 10.179 1.00 0.73 C ATOM 242 CG LEU A 15 1.751 15.008 10.716 1.00 0.73 C ATOM 243 CD1 LEU A 15 1.044 13.814 10.095 1.00 0.78 C ATOM 244 CD2 LEU A 15 3.245 14.941 10.446 1.00 0.91 C ATOM 0 H LEU A 15 -1.569 15.954 10.742 1.00 0.73 H new ATOM 0 HA LEU A 15 0.713 17.318 12.030 1.00 0.75 H new ATOM 0 HB2 LEU A 15 0.661 16.111 9.238 1.00 0.73 H new ATOM 0 HB3 LEU A 15 1.993 16.996 9.954 1.00 0.73 H new ATOM 0 HG LEU A 15 1.592 14.978 11.794 1.00 0.73 H new ATOM 0 HD11 LEU A 15 1.472 12.892 10.490 1.00 0.78 H new ATOM 0 HD12 LEU A 15 -0.018 13.854 10.337 1.00 0.78 H new ATOM 0 HD13 LEU A 15 1.171 13.838 9.013 1.00 0.78 H new ATOM 0 HD21 LEU A 15 3.643 14.003 10.834 1.00 0.91 H new ATOM 0 HD22 LEU A 15 3.423 14.994 9.372 1.00 0.91 H new ATOM 0 HD23 LEU A 15 3.742 15.777 10.938 1.00 0.91 H new ATOM 256 N GLU A 16 0.509 19.325 10.415 1.00 0.80 N ATOM 257 CA GLU A 16 0.168 20.597 9.799 1.00 0.83 C ATOM 258 C GLU A 16 0.948 20.764 8.500 1.00 0.78 C ATOM 259 O GLU A 16 2.004 21.399 8.465 1.00 0.84 O ATOM 260 CB GLU A 16 0.480 21.748 10.754 1.00 0.95 C ATOM 261 CG GLU A 16 -0.758 22.428 11.309 1.00 1.01 C ATOM 262 CD GLU A 16 -1.446 23.302 10.284 1.00 1.06 C ATOM 263 OE1 GLU A 16 -0.772 23.766 9.341 1.00 1.08 O ATOM 264 OE2 GLU A 16 -2.666 23.532 10.408 1.00 1.17 O ATOM 0 H GLU A 16 1.445 19.297 10.819 1.00 0.80 H new ATOM 0 HA GLU A 16 -0.899 20.610 9.578 1.00 0.83 H new ATOM 0 HB2 GLU A 16 1.079 21.370 11.582 1.00 0.95 H new ATOM 0 HB3 GLU A 16 1.088 22.487 10.233 1.00 0.95 H new ATOM 0 HG2 GLU A 16 -1.457 21.670 11.664 1.00 1.01 H new ATOM 0 HG3 GLU A 16 -0.480 23.034 12.171 1.00 1.01 H new ATOM 271 N VAL A 17 0.435 20.165 7.442 1.00 0.70 N ATOM 272 CA VAL A 17 1.080 20.220 6.136 1.00 0.68 C ATOM 273 C VAL A 17 0.634 21.438 5.337 1.00 0.72 C ATOM 274 O VAL A 17 -0.270 22.169 5.743 1.00 0.76 O ATOM 275 CB VAL A 17 0.787 18.948 5.320 1.00 0.60 C ATOM 276 CG1 VAL A 17 1.392 17.728 5.993 1.00 0.57 C ATOM 277 CG2 VAL A 17 -0.709 18.774 5.131 1.00 0.58 C ATOM 0 H VAL A 17 -0.433 19.630 7.458 1.00 0.70 H new ATOM 0 HA VAL A 17 2.152 20.295 6.320 1.00 0.68 H new ATOM 0 HB VAL A 17 1.247 19.054 4.337 1.00 0.60 H new ATOM 0 HG11 VAL A 17 1.173 16.840 5.400 1.00 0.57 H new ATOM 0 HG12 VAL A 17 2.472 17.854 6.073 1.00 0.57 H new ATOM 0 HG13 VAL A 17 0.966 17.613 6.990 1.00 0.57 H new ATOM 0 HG21 VAL A 17 -0.900 17.870 4.552 1.00 0.58 H new ATOM 0 HG22 VAL A 17 -1.191 18.690 6.105 1.00 0.58 H new ATOM 0 HG23 VAL A 17 -1.111 19.637 4.600 1.00 0.58 H new ATOM 287 N GLU A 18 1.275 21.648 4.200 1.00 0.73 N ATOM 288 CA GLU A 18 0.955 22.768 3.328 1.00 0.78 C ATOM 289 C GLU A 18 0.105 22.288 2.155 1.00 0.76 C ATOM 290 O GLU A 18 0.123 21.103 1.824 1.00 0.72 O ATOM 291 CB GLU A 18 2.241 23.411 2.807 1.00 0.86 C ATOM 292 CG GLU A 18 3.106 24.036 3.890 1.00 0.94 C ATOM 293 CD GLU A 18 4.378 24.639 3.334 1.00 1.06 C ATOM 294 OE1 GLU A 18 4.286 25.553 2.484 1.00 1.18 O ATOM 295 OE2 GLU A 18 5.476 24.202 3.738 1.00 1.25 O ATOM 0 H GLU A 18 2.028 21.052 3.856 1.00 0.73 H new ATOM 0 HA GLU A 18 0.393 23.509 3.897 1.00 0.78 H new ATOM 0 HB2 GLU A 18 2.825 22.655 2.282 1.00 0.86 H new ATOM 0 HB3 GLU A 18 1.981 24.178 2.077 1.00 0.86 H new ATOM 0 HG2 GLU A 18 2.536 24.809 4.406 1.00 0.94 H new ATOM 0 HG3 GLU A 18 3.360 23.278 4.631 1.00 0.94 H new ATOM 302 N PRO A 19 -0.662 23.188 1.517 1.00 0.80 N ATOM 303 CA PRO A 19 -1.499 22.824 0.367 1.00 0.82 C ATOM 304 C PRO A 19 -0.656 22.300 -0.795 1.00 0.86 C ATOM 305 O PRO A 19 -1.066 21.393 -1.519 1.00 0.87 O ATOM 306 CB PRO A 19 -2.185 24.141 -0.017 1.00 0.87 C ATOM 307 CG PRO A 19 -2.082 25.003 1.195 1.00 0.91 C ATOM 308 CD PRO A 19 -0.797 24.615 1.866 1.00 0.88 C ATOM 0 HA PRO A 19 -2.203 22.027 0.604 1.00 0.82 H new ATOM 0 HB2 PRO A 19 -1.695 24.605 -0.873 1.00 0.87 H new ATOM 0 HB3 PRO A 19 -3.226 23.976 -0.296 1.00 0.87 H new ATOM 0 HG2 PRO A 19 -2.078 26.059 0.924 1.00 0.91 H new ATOM 0 HG3 PRO A 19 -2.932 24.847 1.859 1.00 0.91 H new ATOM 0 HD2 PRO A 19 0.044 25.202 1.498 1.00 0.88 H new ATOM 0 HD3 PRO A 19 -0.843 24.765 2.945 1.00 0.88 H new ATOM 316 N SER A 20 0.529 22.879 -0.958 1.00 0.92 N ATOM 317 CA SER A 20 1.438 22.481 -2.021 1.00 1.00 C ATOM 318 C SER A 20 2.521 21.533 -1.497 1.00 0.92 C ATOM 319 O SER A 20 3.587 21.407 -2.100 1.00 0.94 O ATOM 320 CB SER A 20 2.075 23.728 -2.636 1.00 1.18 C ATOM 321 OG SER A 20 1.206 24.846 -2.528 1.00 1.24 O ATOM 0 H SER A 20 0.881 23.629 -0.363 1.00 0.92 H new ATOM 0 HA SER A 20 0.871 21.947 -2.784 1.00 1.00 H new ATOM 0 HB2 SER A 20 3.018 23.945 -2.134 1.00 1.18 H new ATOM 0 HB3 SER A 20 2.308 23.543 -3.685 1.00 1.18 H new ATOM 0 HG SER A 20 1.634 25.633 -2.926 1.00 1.24 H new ATOM 327 N ASP A 21 2.245 20.870 -0.379 1.00 0.85 N ATOM 328 CA ASP A 21 3.201 19.937 0.213 1.00 0.80 C ATOM 329 C ASP A 21 3.248 18.631 -0.568 1.00 0.75 C ATOM 330 O ASP A 21 2.208 18.055 -0.900 1.00 0.73 O ATOM 331 CB ASP A 21 2.847 19.653 1.677 1.00 0.75 C ATOM 332 CG ASP A 21 4.074 19.460 2.547 1.00 0.65 C ATOM 333 OD1 ASP A 21 5.083 20.156 2.319 1.00 0.82 O ATOM 334 OD2 ASP A 21 4.032 18.630 3.479 1.00 0.69 O ATOM 0 H ASP A 21 1.369 20.960 0.136 1.00 0.85 H new ATOM 0 HA ASP A 21 4.185 20.403 0.170 1.00 0.80 H new ATOM 0 HB2 ASP A 21 2.254 20.479 2.070 1.00 0.75 H new ATOM 0 HB3 ASP A 21 2.225 18.760 1.730 1.00 0.75 H new ATOM 339 N THR A 22 4.455 18.198 -0.897 1.00 0.76 N ATOM 340 CA THR A 22 4.649 16.954 -1.625 1.00 0.74 C ATOM 341 C THR A 22 4.435 15.749 -0.712 1.00 0.67 C ATOM 342 O THR A 22 4.595 15.850 0.505 1.00 0.65 O ATOM 343 CB THR A 22 6.053 16.884 -2.252 1.00 0.80 C ATOM 344 OG1 THR A 22 6.977 17.650 -1.469 1.00 0.85 O ATOM 345 CG2 THR A 22 6.033 17.407 -3.678 1.00 1.02 C ATOM 0 H THR A 22 5.318 18.692 -0.670 1.00 0.76 H new ATOM 0 HA THR A 22 3.909 16.930 -2.425 1.00 0.74 H new ATOM 0 HB THR A 22 6.370 15.841 -2.269 1.00 0.80 H new ATOM 0 HG1 THR A 22 7.870 17.252 -1.534 1.00 0.85 H new ATOM 0 HG21 THR A 22 7.036 17.348 -4.101 1.00 1.02 H new ATOM 0 HG22 THR A 22 5.350 16.804 -4.277 1.00 1.02 H new ATOM 0 HG23 THR A 22 5.699 18.444 -3.680 1.00 1.02 H new ATOM 353 N ILE A 23 4.077 14.612 -1.303 1.00 0.65 N ATOM 354 CA ILE A 23 3.834 13.388 -0.543 1.00 0.59 C ATOM 355 C ILE A 23 5.053 13.002 0.296 1.00 0.58 C ATOM 356 O ILE A 23 4.923 12.645 1.470 1.00 0.54 O ATOM 357 CB ILE A 23 3.457 12.213 -1.476 1.00 0.62 C ATOM 358 CG1 ILE A 23 2.167 12.527 -2.244 1.00 0.67 C ATOM 359 CG2 ILE A 23 3.305 10.915 -0.689 1.00 0.55 C ATOM 360 CD1 ILE A 23 0.937 12.628 -1.368 1.00 0.63 C ATOM 0 H ILE A 23 3.948 14.512 -2.310 1.00 0.65 H new ATOM 0 HA ILE A 23 2.997 13.591 0.125 1.00 0.59 H new ATOM 0 HB ILE A 23 4.266 12.081 -2.194 1.00 0.62 H new ATOM 0 HG12 ILE A 23 2.296 13.467 -2.781 1.00 0.67 H new ATOM 0 HG13 ILE A 23 2.004 11.752 -2.993 1.00 0.67 H new ATOM 0 HG21 ILE A 23 3.040 10.106 -1.369 1.00 0.55 H new ATOM 0 HG22 ILE A 23 4.246 10.678 -0.193 1.00 0.55 H new ATOM 0 HG23 ILE A 23 2.520 11.032 0.058 1.00 0.55 H new ATOM 0 HD11 ILE A 23 0.068 12.852 -1.986 1.00 0.63 H new ATOM 0 HD12 ILE A 23 0.780 11.682 -0.850 1.00 0.63 H new ATOM 0 HD13 ILE A 23 1.076 13.423 -0.636 1.00 0.63 H new ATOM 372 N GLU A 24 6.241 13.093 -0.299 1.00 0.64 N ATOM 373 CA GLU A 24 7.468 12.746 0.408 1.00 0.67 C ATOM 374 C GLU A 24 7.737 13.733 1.546 1.00 0.65 C ATOM 375 O GLU A 24 8.340 13.374 2.557 1.00 0.65 O ATOM 376 CB GLU A 24 8.656 12.668 -0.566 1.00 0.78 C ATOM 377 CG GLU A 24 9.661 13.808 -0.461 1.00 0.94 C ATOM 378 CD GLU A 24 9.314 14.984 -1.349 1.00 1.68 C ATOM 379 OE1 GLU A 24 9.424 14.851 -2.586 1.00 2.16 O ATOM 380 OE2 GLU A 24 8.937 16.047 -0.814 1.00 2.11 O ATOM 0 H GLU A 24 6.378 13.402 -1.261 1.00 0.64 H new ATOM 0 HA GLU A 24 7.342 11.759 0.852 1.00 0.67 H new ATOM 0 HB2 GLU A 24 9.180 11.727 -0.399 1.00 0.78 H new ATOM 0 HB3 GLU A 24 8.268 12.640 -1.584 1.00 0.78 H new ATOM 0 HG2 GLU A 24 9.714 14.144 0.574 1.00 0.94 H new ATOM 0 HG3 GLU A 24 10.651 13.438 -0.727 1.00 0.94 H new ATOM 387 N ASN A 25 7.263 14.965 1.387 1.00 0.66 N ATOM 388 CA ASN A 25 7.450 15.992 2.404 1.00 0.68 C ATOM 389 C ASN A 25 6.602 15.668 3.626 1.00 0.62 C ATOM 390 O ASN A 25 7.018 15.893 4.762 1.00 0.65 O ATOM 391 CB ASN A 25 7.079 17.374 1.857 1.00 0.72 C ATOM 392 CG ASN A 25 8.114 18.428 2.201 1.00 0.79 C ATOM 393 OD1 ASN A 25 9.309 18.145 2.265 1.00 0.86 O ATOM 394 ND2 ASN A 25 7.664 19.651 2.422 1.00 0.83 N ATOM 0 H ASN A 25 6.747 15.275 0.564 1.00 0.66 H new ATOM 0 HA ASN A 25 8.502 16.009 2.690 1.00 0.68 H new ATOM 0 HB2 ASN A 25 6.969 17.316 0.774 1.00 0.72 H new ATOM 0 HB3 ASN A 25 6.111 17.674 2.260 1.00 0.72 H new ATOM 0 HD21 ASN A 25 8.316 20.400 2.655 1.00 0.83 H new ATOM 0 HD22 ASN A 25 6.665 19.846 2.359 1.00 0.83 H new ATOM 401 N VAL A 26 5.405 15.142 3.381 1.00 0.55 N ATOM 402 CA VAL A 26 4.506 14.751 4.458 1.00 0.51 C ATOM 403 C VAL A 26 5.100 13.559 5.193 1.00 0.50 C ATOM 404 O VAL A 26 5.099 13.506 6.424 1.00 0.51 O ATOM 405 CB VAL A 26 3.102 14.387 3.929 1.00 0.49 C ATOM 406 CG1 VAL A 26 2.178 13.983 5.068 1.00 0.48 C ATOM 407 CG2 VAL A 26 2.513 15.548 3.147 1.00 0.50 C ATOM 0 H VAL A 26 5.037 14.977 2.444 1.00 0.55 H new ATOM 0 HA VAL A 26 4.395 15.599 5.134 1.00 0.51 H new ATOM 0 HB VAL A 26 3.202 13.533 3.259 1.00 0.49 H new ATOM 0 HG11 VAL A 26 1.196 13.732 4.668 1.00 0.48 H new ATOM 0 HG12 VAL A 26 2.593 13.116 5.583 1.00 0.48 H new ATOM 0 HG13 VAL A 26 2.083 14.811 5.770 1.00 0.48 H new ATOM 0 HG21 VAL A 26 1.523 15.275 2.781 1.00 0.50 H new ATOM 0 HG22 VAL A 26 2.432 16.420 3.796 1.00 0.50 H new ATOM 0 HG23 VAL A 26 3.160 15.783 2.302 1.00 0.50 H new ATOM 417 N LYS A 27 5.629 12.617 4.419 1.00 0.50 N ATOM 418 CA LYS A 27 6.260 11.428 4.972 1.00 0.50 C ATOM 419 C LYS A 27 7.445 11.827 5.840 1.00 0.55 C ATOM 420 O LYS A 27 7.647 11.279 6.926 1.00 0.55 O ATOM 421 CB LYS A 27 6.732 10.504 3.852 1.00 0.52 C ATOM 422 CG LYS A 27 5.607 9.812 3.107 1.00 0.52 C ATOM 423 CD LYS A 27 6.153 8.831 2.085 1.00 0.69 C ATOM 424 CE LYS A 27 5.125 7.779 1.716 1.00 1.00 C ATOM 425 NZ LYS A 27 5.718 6.707 0.876 1.00 1.16 N ATOM 0 H LYS A 27 5.632 12.657 3.400 1.00 0.50 H new ATOM 0 HA LYS A 27 5.528 10.897 5.580 1.00 0.50 H new ATOM 0 HB2 LYS A 27 7.322 11.083 3.142 1.00 0.52 H new ATOM 0 HB3 LYS A 27 7.394 9.748 4.274 1.00 0.52 H new ATOM 0 HG2 LYS A 27 4.967 9.286 3.815 1.00 0.52 H new ATOM 0 HG3 LYS A 27 4.986 10.555 2.607 1.00 0.52 H new ATOM 0 HD2 LYS A 27 6.459 9.371 1.189 1.00 0.69 H new ATOM 0 HD3 LYS A 27 7.043 8.346 2.485 1.00 0.69 H new ATOM 0 HE2 LYS A 27 4.708 7.342 2.624 1.00 1.00 H new ATOM 0 HE3 LYS A 27 4.300 8.248 1.180 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 5.325 5.787 1.159 1.00 1.16 H new ATOM 0 HZ2 LYS A 27 5.495 6.886 -0.124 1.00 1.16 H new ATOM 0 HZ3 LYS A 27 6.750 6.697 1.004 1.00 1.16 H new ATOM 439 N ALA A 28 8.224 12.783 5.341 1.00 0.62 N ATOM 440 CA ALA A 28 9.381 13.293 6.063 1.00 0.69 C ATOM 441 C ALA A 28 8.948 13.912 7.385 1.00 0.71 C ATOM 442 O ALA A 28 9.642 13.789 8.398 1.00 0.76 O ATOM 443 CB ALA A 28 10.134 14.309 5.220 1.00 0.76 C ATOM 0 H ALA A 28 8.071 13.221 4.433 1.00 0.62 H new ATOM 0 HA ALA A 28 10.052 12.460 6.273 1.00 0.69 H new ATOM 0 HB1 ALA A 28 10.995 14.678 5.778 1.00 0.76 H new ATOM 0 HB2 ALA A 28 10.474 13.837 4.298 1.00 0.76 H new ATOM 0 HB3 ALA A 28 9.474 15.142 4.979 1.00 0.76 H new ATOM 449 N LYS A 29 7.796 14.574 7.373 1.00 0.69 N ATOM 450 CA LYS A 29 7.255 15.186 8.576 1.00 0.73 C ATOM 451 C LYS A 29 6.930 14.097 9.591 1.00 0.72 C ATOM 452 O LYS A 29 7.321 14.186 10.755 1.00 0.81 O ATOM 453 CB LYS A 29 6.010 16.014 8.256 1.00 0.71 C ATOM 454 CG LYS A 29 6.318 17.332 7.558 1.00 0.75 C ATOM 455 CD LYS A 29 5.046 18.086 7.200 1.00 0.69 C ATOM 456 CE LYS A 29 5.356 19.412 6.519 1.00 0.68 C ATOM 457 NZ LYS A 29 5.967 19.220 5.178 1.00 0.89 N ATOM 0 H LYS A 29 7.220 14.699 6.541 1.00 0.69 H new ATOM 0 HA LYS A 29 8.000 15.861 8.997 1.00 0.73 H new ATOM 0 HB2 LYS A 29 5.344 15.425 7.625 1.00 0.71 H new ATOM 0 HB3 LYS A 29 5.473 16.220 9.182 1.00 0.71 H new ATOM 0 HG2 LYS A 29 6.939 17.951 8.206 1.00 0.75 H new ATOM 0 HG3 LYS A 29 6.894 17.139 6.653 1.00 0.75 H new ATOM 0 HD2 LYS A 29 4.431 17.472 6.541 1.00 0.69 H new ATOM 0 HD3 LYS A 29 4.463 18.267 8.103 1.00 0.69 H new ATOM 0 HE2 LYS A 29 4.438 19.992 6.420 1.00 0.68 H new ATOM 0 HE3 LYS A 29 6.033 19.992 7.146 1.00 0.68 H new ATOM 0 HZ1 LYS A 29 6.178 20.147 4.757 1.00 0.89 H new ATOM 0 HZ2 LYS A 29 6.847 18.674 5.273 1.00 0.89 H new ATOM 0 HZ3 LYS A 29 5.304 18.704 4.565 1.00 0.89 H new ATOM 471 N ILE A 30 6.198 13.079 9.145 1.00 0.64 N ATOM 472 CA ILE A 30 5.858 11.944 9.997 1.00 0.64 C ATOM 473 C ILE A 30 7.127 11.302 10.552 1.00 0.72 C ATOM 474 O ILE A 30 7.210 10.994 11.740 1.00 0.80 O ATOM 475 CB ILE A 30 5.047 10.885 9.220 1.00 0.54 C ATOM 476 CG1 ILE A 30 3.805 11.525 8.591 1.00 0.52 C ATOM 477 CG2 ILE A 30 4.653 9.733 10.135 1.00 0.58 C ATOM 478 CD1 ILE A 30 3.076 10.623 7.615 1.00 0.46 C ATOM 0 H ILE A 30 5.829 13.018 8.196 1.00 0.64 H new ATOM 0 HA ILE A 30 5.246 12.317 10.818 1.00 0.64 H new ATOM 0 HB ILE A 30 5.673 10.485 8.422 1.00 0.54 H new ATOM 0 HG12 ILE A 30 3.117 11.816 9.385 1.00 0.52 H new ATOM 0 HG13 ILE A 30 4.101 12.438 8.075 1.00 0.52 H new ATOM 0 HG21 ILE A 30 4.082 8.997 9.569 1.00 0.58 H new ATOM 0 HG22 ILE A 30 5.551 9.264 10.537 1.00 0.58 H new ATOM 0 HG23 ILE A 30 4.043 10.112 10.955 1.00 0.58 H new ATOM 0 HD11 ILE A 30 2.209 11.147 7.213 1.00 0.46 H new ATOM 0 HD12 ILE A 30 3.747 10.352 6.800 1.00 0.46 H new ATOM 0 HD13 ILE A 30 2.747 9.720 8.130 1.00 0.46 H new ATOM 490 N GLN A 31 8.099 11.086 9.668 1.00 0.71 N ATOM 491 CA GLN A 31 9.383 10.511 10.049 1.00 0.82 C ATOM 492 C GLN A 31 10.029 11.325 11.163 1.00 0.93 C ATOM 493 O GLN A 31 10.641 10.777 12.071 1.00 1.01 O ATOM 494 CB GLN A 31 10.326 10.445 8.846 1.00 0.84 C ATOM 495 CG GLN A 31 11.651 9.766 9.158 1.00 0.97 C ATOM 496 CD GLN A 31 12.597 9.750 7.978 1.00 1.04 C ATOM 497 OE1 GLN A 31 12.611 10.674 7.165 1.00 1.01 O ATOM 498 NE2 GLN A 31 13.389 8.697 7.870 1.00 1.18 N ATOM 0 H GLN A 31 8.018 11.304 8.675 1.00 0.71 H new ATOM 0 HA GLN A 31 9.201 9.499 10.411 1.00 0.82 H new ATOM 0 HB2 GLN A 31 9.833 9.909 8.035 1.00 0.84 H new ATOM 0 HB3 GLN A 31 10.519 11.456 8.488 1.00 0.84 H new ATOM 0 HG2 GLN A 31 12.128 10.279 9.993 1.00 0.97 H new ATOM 0 HG3 GLN A 31 11.462 8.742 9.479 1.00 0.97 H new ATOM 0 HE21 GLN A 31 13.346 7.953 8.566 1.00 1.18 H new ATOM 0 HE22 GLN A 31 14.043 8.629 7.091 1.00 1.18 H new ATOM 507 N ASP A 32 9.886 12.637 11.089 1.00 0.95 N ATOM 508 CA ASP A 32 10.450 13.516 12.100 1.00 1.08 C ATOM 509 C ASP A 32 9.680 13.398 13.409 1.00 1.10 C ATOM 510 O ASP A 32 10.256 13.495 14.491 1.00 1.19 O ATOM 511 CB ASP A 32 10.426 14.966 11.619 1.00 1.15 C ATOM 512 CG ASP A 32 11.751 15.659 11.832 1.00 1.10 C ATOM 513 OD1 ASP A 32 11.957 16.243 12.914 1.00 1.24 O ATOM 514 OD2 ASP A 32 12.598 15.618 10.917 1.00 1.51 O ATOM 0 H ASP A 32 9.385 13.117 10.341 1.00 0.95 H new ATOM 0 HA ASP A 32 11.483 13.213 12.272 1.00 1.08 H new ATOM 0 HB2 ASP A 32 10.171 14.992 10.560 1.00 1.15 H new ATOM 0 HB3 ASP A 32 9.644 15.510 12.149 1.00 1.15 H new ATOM 519 N LYS A 33 8.378 13.173 13.301 1.00 1.04 N ATOM 520 CA LYS A 33 7.517 13.055 14.470 1.00 1.08 C ATOM 521 C LYS A 33 7.574 11.652 15.087 1.00 1.05 C ATOM 522 O LYS A 33 8.283 11.426 16.068 1.00 1.11 O ATOM 523 CB LYS A 33 6.075 13.412 14.086 1.00 1.05 C ATOM 524 CG LYS A 33 5.189 13.764 15.272 1.00 1.11 C ATOM 525 CD LYS A 33 3.849 14.321 14.815 1.00 1.21 C ATOM 526 CE LYS A 33 3.094 14.977 15.960 1.00 1.50 C ATOM 527 NZ LYS A 33 1.920 15.754 15.480 1.00 1.79 N ATOM 0 H LYS A 33 7.892 13.068 12.410 1.00 1.04 H new ATOM 0 HA LYS A 33 7.879 13.753 15.225 1.00 1.08 H new ATOM 0 HB2 LYS A 33 6.092 14.255 13.395 1.00 1.05 H new ATOM 0 HB3 LYS A 33 5.633 12.571 13.552 1.00 1.05 H new ATOM 0 HG2 LYS A 33 5.027 12.876 15.884 1.00 1.11 H new ATOM 0 HG3 LYS A 33 5.694 14.497 15.901 1.00 1.11 H new ATOM 0 HD2 LYS A 33 4.009 15.049 14.020 1.00 1.21 H new ATOM 0 HD3 LYS A 33 3.245 13.517 14.394 1.00 1.21 H new ATOM 0 HE2 LYS A 33 2.760 14.211 16.660 1.00 1.50 H new ATOM 0 HE3 LYS A 33 3.767 15.637 16.507 1.00 1.50 H new ATOM 0 HZ1 LYS A 33 1.215 15.824 16.242 1.00 1.79 H new ATOM 0 HZ2 LYS A 33 2.226 16.708 15.202 1.00 1.79 H new ATOM 0 HZ3 LYS A 33 1.497 15.273 14.660 1.00 1.79 H new ATOM 541 N GLU A 34 6.835 10.710 14.500 1.00 0.98 N ATOM 542 CA GLU A 34 6.768 9.339 15.010 1.00 0.97 C ATOM 543 C GLU A 34 8.013 8.512 14.682 1.00 0.95 C ATOM 544 O GLU A 34 8.152 7.383 15.155 1.00 0.97 O ATOM 545 CB GLU A 34 5.532 8.644 14.443 1.00 0.89 C ATOM 546 CG GLU A 34 4.221 9.279 14.878 1.00 0.94 C ATOM 547 CD GLU A 34 3.850 8.947 16.310 1.00 1.18 C ATOM 548 OE1 GLU A 34 4.634 9.260 17.225 1.00 1.56 O ATOM 549 OE2 GLU A 34 2.768 8.368 16.528 1.00 1.18 O ATOM 0 H GLU A 34 6.271 10.873 13.666 1.00 0.98 H new ATOM 0 HA GLU A 34 6.710 9.408 16.096 1.00 0.97 H new ATOM 0 HB2 GLU A 34 5.587 8.655 13.354 1.00 0.89 H new ATOM 0 HB3 GLU A 34 5.540 7.599 14.752 1.00 0.89 H new ATOM 0 HG2 GLU A 34 4.294 10.361 14.769 1.00 0.94 H new ATOM 0 HG3 GLU A 34 3.423 8.944 14.215 1.00 0.94 H new ATOM 556 N GLY A 35 8.907 9.061 13.874 1.00 0.94 N ATOM 557 CA GLY A 35 10.120 8.343 13.514 1.00 0.94 C ATOM 558 C GLY A 35 9.891 7.255 12.479 1.00 0.88 C ATOM 559 O GLY A 35 10.717 6.356 12.330 1.00 0.92 O ATOM 0 H GLY A 35 8.818 9.989 13.460 1.00 0.94 H new ATOM 0 HA2 GLY A 35 10.853 9.052 13.129 1.00 0.94 H new ATOM 0 HA3 GLY A 35 10.549 7.897 14.411 1.00 0.94 H new ATOM 563 N ILE A 36 8.776 7.328 11.768 1.00 0.79 N ATOM 564 CA ILE A 36 8.458 6.335 10.747 1.00 0.73 C ATOM 565 C ILE A 36 9.045 6.747 9.399 1.00 0.69 C ATOM 566 O ILE A 36 8.644 7.758 8.831 1.00 0.63 O ATOM 567 CB ILE A 36 6.935 6.139 10.597 1.00 0.66 C ATOM 568 CG1 ILE A 36 6.293 5.883 11.962 1.00 0.77 C ATOM 569 CG2 ILE A 36 6.643 4.983 9.648 1.00 0.63 C ATOM 570 CD1 ILE A 36 4.782 5.788 11.918 1.00 0.76 C ATOM 0 H ILE A 36 8.076 8.062 11.877 1.00 0.79 H new ATOM 0 HA ILE A 36 8.899 5.391 11.068 1.00 0.73 H new ATOM 0 HB ILE A 36 6.506 7.050 10.179 1.00 0.66 H new ATOM 0 HG12 ILE A 36 6.694 4.957 12.374 1.00 0.77 H new ATOM 0 HG13 ILE A 36 6.578 6.685 12.643 1.00 0.77 H new ATOM 0 HG21 ILE A 36 5.565 4.855 9.551 1.00 0.63 H new ATOM 0 HG22 ILE A 36 7.072 5.198 8.670 1.00 0.63 H new ATOM 0 HG23 ILE A 36 7.083 4.067 10.044 1.00 0.63 H new ATOM 0 HD11 ILE A 36 4.400 5.606 12.922 1.00 0.76 H new ATOM 0 HD12 ILE A 36 4.370 6.722 11.537 1.00 0.76 H new ATOM 0 HD13 ILE A 36 4.488 4.968 11.263 1.00 0.76 H new ATOM 582 N PRO A 37 10.010 5.974 8.880 1.00 0.76 N ATOM 583 CA PRO A 37 10.658 6.262 7.592 1.00 0.77 C ATOM 584 C PRO A 37 9.676 6.247 6.422 1.00 0.66 C ATOM 585 O PRO A 37 8.785 5.401 6.368 1.00 0.58 O ATOM 586 CB PRO A 37 11.679 5.131 7.438 1.00 0.88 C ATOM 587 CG PRO A 37 11.869 4.587 8.811 1.00 0.97 C ATOM 588 CD PRO A 37 10.557 4.763 9.509 1.00 0.88 C ATOM 0 HA PRO A 37 11.098 7.259 7.582 1.00 0.77 H new ATOM 0 HB2 PRO A 37 11.315 4.362 6.757 1.00 0.88 H new ATOM 0 HB3 PRO A 37 12.618 5.502 7.028 1.00 0.88 H new ATOM 0 HG2 PRO A 37 12.156 3.536 8.778 1.00 0.97 H new ATOM 0 HG3 PRO A 37 12.664 5.118 9.335 1.00 0.97 H new ATOM 0 HD2 PRO A 37 9.904 3.902 9.364 1.00 0.88 H new ATOM 0 HD3 PRO A 37 10.685 4.889 10.584 1.00 0.88 H new ATOM 596 N PRO A 38 9.836 7.184 5.466 1.00 0.70 N ATOM 597 CA PRO A 38 8.969 7.289 4.278 1.00 0.66 C ATOM 598 C PRO A 38 8.887 5.984 3.485 1.00 0.65 C ATOM 599 O PRO A 38 7.851 5.668 2.893 1.00 0.62 O ATOM 600 CB PRO A 38 9.654 8.370 3.438 1.00 0.81 C ATOM 601 CG PRO A 38 10.402 9.194 4.424 1.00 0.91 C ATOM 602 CD PRO A 38 10.870 8.236 5.479 1.00 0.86 C ATOM 0 HA PRO A 38 7.939 7.518 4.552 1.00 0.66 H new ATOM 0 HB2 PRO A 38 10.324 7.932 2.698 1.00 0.81 H new ATOM 0 HB3 PRO A 38 8.925 8.969 2.892 1.00 0.81 H new ATOM 0 HG2 PRO A 38 11.245 9.700 3.953 1.00 0.91 H new ATOM 0 HG3 PRO A 38 9.764 9.968 4.852 1.00 0.91 H new ATOM 0 HD2 PRO A 38 11.856 7.833 5.248 1.00 0.86 H new ATOM 0 HD3 PRO A 38 10.943 8.716 6.455 1.00 0.86 H new ATOM 610 N ASP A 39 9.986 5.239 3.479 1.00 0.73 N ATOM 611 CA ASP A 39 10.056 3.961 2.774 1.00 0.79 C ATOM 612 C ASP A 39 9.105 2.948 3.404 1.00 0.74 C ATOM 613 O ASP A 39 8.545 2.090 2.723 1.00 0.81 O ATOM 614 CB ASP A 39 11.488 3.416 2.800 1.00 0.89 C ATOM 615 CG ASP A 39 11.558 1.913 2.594 1.00 1.84 C ATOM 616 OD1 ASP A 39 11.267 1.442 1.474 1.00 2.29 O ATOM 617 OD2 ASP A 39 11.914 1.196 3.555 1.00 2.66 O ATOM 0 H ASP A 39 10.848 5.499 3.958 1.00 0.73 H new ATOM 0 HA ASP A 39 9.757 4.126 1.739 1.00 0.79 H new ATOM 0 HB2 ASP A 39 12.073 3.911 2.024 1.00 0.89 H new ATOM 0 HB3 ASP A 39 11.949 3.667 3.755 1.00 0.89 H new ATOM 622 N GLN A 40 8.896 3.071 4.704 1.00 0.67 N ATOM 623 CA GLN A 40 8.024 2.155 5.415 1.00 0.70 C ATOM 624 C GLN A 40 6.597 2.697 5.485 1.00 0.60 C ATOM 625 O GLN A 40 5.750 2.146 6.187 1.00 0.67 O ATOM 626 CB GLN A 40 8.559 1.884 6.825 1.00 0.79 C ATOM 627 CG GLN A 40 9.585 0.761 6.887 1.00 0.95 C ATOM 628 CD GLN A 40 10.960 1.242 7.298 1.00 1.48 C ATOM 629 OE1 GLN A 40 11.261 1.361 8.487 1.00 2.10 O ATOM 630 NE2 GLN A 40 11.814 1.504 6.322 1.00 2.01 N ATOM 0 H GLN A 40 9.318 3.795 5.286 1.00 0.67 H new ATOM 0 HA GLN A 40 8.005 1.216 4.862 1.00 0.70 H new ATOM 0 HB2 GLN A 40 9.009 2.797 7.214 1.00 0.79 H new ATOM 0 HB3 GLN A 40 7.723 1.637 7.479 1.00 0.79 H new ATOM 0 HG2 GLN A 40 9.245 0.003 7.593 1.00 0.95 H new ATOM 0 HG3 GLN A 40 9.650 0.281 5.911 1.00 0.95 H new ATOM 0 HE21 GLN A 40 11.527 1.393 5.350 1.00 2.01 H new ATOM 0 HE22 GLN A 40 12.760 1.817 6.542 1.00 2.01 H new ATOM 639 N GLN A 41 6.330 3.765 4.740 1.00 0.51 N ATOM 640 CA GLN A 41 5.009 4.377 4.720 1.00 0.44 C ATOM 641 C GLN A 41 4.321 4.132 3.384 1.00 0.45 C ATOM 642 O GLN A 41 4.831 4.524 2.334 1.00 0.51 O ATOM 643 CB GLN A 41 5.112 5.886 4.935 1.00 0.40 C ATOM 644 CG GLN A 41 5.642 6.302 6.293 1.00 0.41 C ATOM 645 CD GLN A 41 5.635 7.808 6.449 1.00 0.40 C ATOM 646 OE1 GLN A 41 4.778 8.491 5.897 1.00 0.37 O ATOM 647 NE2 GLN A 41 6.592 8.340 7.187 1.00 0.46 N ATOM 0 H GLN A 41 7.015 4.225 4.140 1.00 0.51 H new ATOM 0 HA GLN A 41 4.428 3.925 5.524 1.00 0.44 H new ATOM 0 HB2 GLN A 41 5.759 6.305 4.165 1.00 0.40 H new ATOM 0 HB3 GLN A 41 4.125 6.326 4.796 1.00 0.40 H new ATOM 0 HG2 GLN A 41 5.034 5.850 7.077 1.00 0.41 H new ATOM 0 HG3 GLN A 41 6.657 5.926 6.420 1.00 0.41 H new ATOM 0 HE21 GLN A 41 7.287 7.740 7.631 1.00 0.46 H new ATOM 0 HE22 GLN A 41 6.636 9.351 7.314 1.00 0.46 H new ATOM 656 N ARG A 42 3.177 3.476 3.416 1.00 0.46 N ATOM 657 CA ARG A 42 2.423 3.220 2.198 1.00 0.52 C ATOM 658 C ARG A 42 1.067 3.917 2.259 1.00 0.50 C ATOM 659 O ARG A 42 0.136 3.430 2.894 1.00 0.53 O ATOM 660 CB ARG A 42 2.249 1.717 1.974 1.00 0.63 C ATOM 661 CG ARG A 42 3.540 1.003 1.606 1.00 0.69 C ATOM 662 CD ARG A 42 4.201 1.622 0.379 1.00 0.75 C ATOM 663 NE ARG A 42 4.893 0.619 -0.430 1.00 0.87 N ATOM 664 CZ ARG A 42 5.989 0.855 -1.152 1.00 0.92 C ATOM 665 NH1 ARG A 42 6.534 2.067 -1.176 1.00 0.94 N ATOM 666 NH2 ARG A 42 6.545 -0.134 -1.843 1.00 1.11 N ATOM 0 H ARG A 42 2.749 3.111 4.267 1.00 0.46 H new ATOM 0 HA ARG A 42 2.982 3.624 1.354 1.00 0.52 H new ATOM 0 HB2 ARG A 42 1.841 1.268 2.879 1.00 0.63 H new ATOM 0 HB3 ARG A 42 1.517 1.558 1.182 1.00 0.63 H new ATOM 0 HG2 ARG A 42 4.230 1.042 2.449 1.00 0.69 H new ATOM 0 HG3 ARG A 42 3.331 -0.049 1.414 1.00 0.69 H new ATOM 0 HD2 ARG A 42 3.445 2.120 -0.228 1.00 0.75 H new ATOM 0 HD3 ARG A 42 4.911 2.386 0.695 1.00 0.75 H new ATOM 0 HE ARG A 42 4.511 -0.327 -0.443 1.00 0.87 H new ATOM 0 HH11 ARG A 42 6.114 2.826 -0.639 1.00 0.94 H new ATOM 0 HH12 ARG A 42 7.372 2.238 -1.731 1.00 0.94 H new ATOM 0 HH21 ARG A 42 6.133 -1.067 -1.819 1.00 1.11 H new ATOM 0 HH22 ARG A 42 7.383 0.040 -2.397 1.00 1.11 H new ATOM 680 N LEU A 43 0.975 5.070 1.604 1.00 0.47 N ATOM 681 CA LEU A 43 -0.258 5.851 1.588 1.00 0.46 C ATOM 682 C LEU A 43 -1.209 5.355 0.505 1.00 0.49 C ATOM 683 O LEU A 43 -0.825 5.217 -0.658 1.00 0.65 O ATOM 684 CB LEU A 43 0.053 7.335 1.374 1.00 0.47 C ATOM 685 CG LEU A 43 0.537 8.080 2.619 1.00 0.64 C ATOM 686 CD1 LEU A 43 1.175 9.405 2.237 1.00 0.98 C ATOM 687 CD2 LEU A 43 -0.618 8.307 3.583 1.00 1.14 C ATOM 0 H LEU A 43 1.742 5.486 1.076 1.00 0.47 H new ATOM 0 HA LEU A 43 -0.746 5.726 2.555 1.00 0.46 H new ATOM 0 HB2 LEU A 43 0.813 7.423 0.598 1.00 0.47 H new ATOM 0 HB3 LEU A 43 -0.844 7.828 0.999 1.00 0.47 H new ATOM 0 HG LEU A 43 1.290 7.467 3.115 1.00 0.64 H new ATOM 0 HD11 LEU A 43 1.512 9.919 3.137 1.00 0.98 H new ATOM 0 HD12 LEU A 43 2.027 9.223 1.582 1.00 0.98 H new ATOM 0 HD13 LEU A 43 0.444 10.025 1.718 1.00 0.98 H new ATOM 0 HD21 LEU A 43 -0.258 8.838 4.464 1.00 1.14 H new ATOM 0 HD22 LEU A 43 -1.390 8.900 3.093 1.00 1.14 H new ATOM 0 HD23 LEU A 43 -1.035 7.346 3.884 1.00 1.14 H new ATOM 699 N ILE A 44 -2.445 5.085 0.894 1.00 0.55 N ATOM 700 CA ILE A 44 -3.458 4.600 -0.036 1.00 0.63 C ATOM 701 C ILE A 44 -4.583 5.613 -0.181 1.00 0.63 C ATOM 702 O ILE A 44 -5.032 6.196 0.809 1.00 0.92 O ATOM 703 CB ILE A 44 -4.078 3.269 0.431 1.00 0.95 C ATOM 704 CG1 ILE A 44 -3.030 2.380 1.095 1.00 1.33 C ATOM 705 CG2 ILE A 44 -4.722 2.549 -0.747 1.00 1.57 C ATOM 706 CD1 ILE A 44 -3.631 1.263 1.919 1.00 1.75 C ATOM 0 H ILE A 44 -2.774 5.194 1.853 1.00 0.55 H new ATOM 0 HA ILE A 44 -2.953 4.448 -0.990 1.00 0.63 H new ATOM 0 HB ILE A 44 -4.847 3.490 1.171 1.00 0.95 H new ATOM 0 HG12 ILE A 44 -2.388 1.950 0.326 1.00 1.33 H new ATOM 0 HG13 ILE A 44 -2.395 2.993 1.734 1.00 1.33 H new ATOM 0 HG21 ILE A 44 -5.157 1.610 -0.406 1.00 1.57 H new ATOM 0 HG22 ILE A 44 -5.504 3.177 -1.174 1.00 1.57 H new ATOM 0 HG23 ILE A 44 -3.966 2.344 -1.506 1.00 1.57 H new ATOM 0 HD11 ILE A 44 -2.833 0.669 2.363 1.00 1.75 H new ATOM 0 HD12 ILE A 44 -4.251 1.687 2.709 1.00 1.75 H new ATOM 0 HD13 ILE A 44 -4.243 0.628 1.279 1.00 1.75 H new ATOM 718 N PHE A 45 -5.049 5.812 -1.404 1.00 0.58 N ATOM 719 CA PHE A 45 -6.129 6.747 -1.656 1.00 0.72 C ATOM 720 C PHE A 45 -7.047 6.238 -2.762 1.00 0.86 C ATOM 721 O PHE A 45 -6.630 6.104 -3.917 1.00 0.83 O ATOM 722 CB PHE A 45 -5.574 8.122 -2.027 1.00 0.77 C ATOM 723 CG PHE A 45 -6.591 9.221 -1.946 1.00 1.02 C ATOM 724 CD1 PHE A 45 -6.985 9.726 -0.718 1.00 0.98 C ATOM 725 CD2 PHE A 45 -7.151 9.750 -3.095 1.00 1.68 C ATOM 726 CE1 PHE A 45 -7.922 10.737 -0.637 1.00 1.21 C ATOM 727 CE2 PHE A 45 -8.088 10.761 -3.021 1.00 1.95 C ATOM 728 CZ PHE A 45 -8.474 11.258 -1.790 1.00 1.59 C ATOM 0 H PHE A 45 -4.695 5.338 -2.235 1.00 0.58 H new ATOM 0 HA PHE A 45 -6.712 6.838 -0.740 1.00 0.72 H new ATOM 0 HB2 PHE A 45 -4.741 8.359 -1.365 1.00 0.77 H new ATOM 0 HB3 PHE A 45 -5.174 8.082 -3.040 1.00 0.77 H new ATOM 0 HD1 PHE A 45 -6.554 9.324 0.187 1.00 0.98 H new ATOM 0 HD2 PHE A 45 -6.852 9.368 -4.060 1.00 1.68 H new ATOM 0 HE1 PHE A 45 -8.223 11.120 0.327 1.00 1.21 H new ATOM 0 HE2 PHE A 45 -8.520 11.164 -3.925 1.00 1.95 H new ATOM 0 HZ PHE A 45 -9.205 12.051 -1.731 1.00 1.59 H new ATOM 738 N ALA A 46 -8.281 5.916 -2.372 1.00 1.21 N ATOM 739 CA ALA A 46 -9.331 5.439 -3.281 1.00 1.45 C ATOM 740 C ALA A 46 -9.064 4.039 -3.840 1.00 1.26 C ATOM 741 O ALA A 46 -9.947 3.444 -4.460 1.00 1.24 O ATOM 742 CB ALA A 46 -9.549 6.429 -4.421 1.00 1.65 C ATOM 0 H ALA A 46 -8.587 5.979 -1.401 1.00 1.21 H new ATOM 0 HA ALA A 46 -10.238 5.367 -2.681 1.00 1.45 H new ATOM 0 HB1 ALA A 46 -10.331 6.056 -5.082 1.00 1.65 H new ATOM 0 HB2 ALA A 46 -9.849 7.394 -4.013 1.00 1.65 H new ATOM 0 HB3 ALA A 46 -8.623 6.546 -4.984 1.00 1.65 H new ATOM 748 N GLY A 47 -7.875 3.499 -3.617 1.00 1.29 N ATOM 749 CA GLY A 47 -7.562 2.183 -4.134 1.00 1.38 C ATOM 750 C GLY A 47 -6.158 2.129 -4.684 1.00 1.26 C ATOM 751 O GLY A 47 -5.542 1.066 -4.743 1.00 1.51 O ATOM 0 H GLY A 47 -7.125 3.946 -3.090 1.00 1.29 H new ATOM 0 HA2 GLY A 47 -7.673 1.443 -3.342 1.00 1.38 H new ATOM 0 HA3 GLY A 47 -8.272 1.920 -4.918 1.00 1.38 H new ATOM 755 N LYS A 48 -5.653 3.287 -5.079 1.00 1.08 N ATOM 756 CA LYS A 48 -4.312 3.396 -5.626 1.00 1.25 C ATOM 757 C LYS A 48 -3.336 3.846 -4.540 1.00 1.05 C ATOM 758 O LYS A 48 -3.743 4.417 -3.526 1.00 1.03 O ATOM 759 CB LYS A 48 -4.310 4.394 -6.789 1.00 1.51 C ATOM 760 CG LYS A 48 -3.078 4.323 -7.683 1.00 1.98 C ATOM 761 CD LYS A 48 -2.629 5.709 -8.121 1.00 2.33 C ATOM 762 CE LYS A 48 -3.694 6.414 -8.951 1.00 2.71 C ATOM 763 NZ LYS A 48 -3.300 7.804 -9.289 1.00 3.64 N ATOM 0 H LYS A 48 -6.158 4.172 -5.030 1.00 1.08 H new ATOM 0 HA LYS A 48 -3.995 2.420 -5.994 1.00 1.25 H new ATOM 0 HB2 LYS A 48 -5.196 4.222 -7.400 1.00 1.51 H new ATOM 0 HB3 LYS A 48 -4.392 5.403 -6.385 1.00 1.51 H new ATOM 0 HG2 LYS A 48 -2.267 3.828 -7.149 1.00 1.98 H new ATOM 0 HG3 LYS A 48 -3.298 3.716 -8.561 1.00 1.98 H new ATOM 0 HD2 LYS A 48 -2.397 6.310 -7.242 1.00 2.33 H new ATOM 0 HD3 LYS A 48 -1.711 5.626 -8.703 1.00 2.33 H new ATOM 0 HE2 LYS A 48 -3.870 5.853 -9.869 1.00 2.71 H new ATOM 0 HE3 LYS A 48 -4.634 6.427 -8.400 1.00 2.71 H new ATOM 0 HZ1 LYS A 48 -4.125 8.319 -9.657 1.00 3.64 H new ATOM 0 HZ2 LYS A 48 -2.946 8.282 -8.436 1.00 3.64 H new ATOM 0 HZ3 LYS A 48 -2.552 7.787 -10.012 1.00 3.64 H new ATOM 777 N GLN A 49 -2.058 3.586 -4.760 1.00 0.98 N ATOM 778 CA GLN A 49 -1.017 3.964 -3.820 1.00 0.86 C ATOM 779 C GLN A 49 -0.417 5.296 -4.252 1.00 0.85 C ATOM 780 O GLN A 49 0.026 5.439 -5.398 1.00 0.98 O ATOM 781 CB GLN A 49 0.065 2.881 -3.764 1.00 1.01 C ATOM 782 CG GLN A 49 1.036 3.032 -2.606 1.00 1.26 C ATOM 783 CD GLN A 49 0.754 2.057 -1.482 1.00 1.41 C ATOM 784 OE1 GLN A 49 1.308 0.958 -1.437 1.00 1.50 O ATOM 785 NE2 GLN A 49 -0.108 2.450 -0.563 1.00 2.20 N ATOM 0 H GLN A 49 -1.714 3.108 -5.593 1.00 0.98 H new ATOM 0 HA GLN A 49 -1.445 4.068 -2.823 1.00 0.86 H new ATOM 0 HB2 GLN A 49 -0.416 1.905 -3.695 1.00 1.01 H new ATOM 0 HB3 GLN A 49 0.626 2.895 -4.698 1.00 1.01 H new ATOM 0 HG2 GLN A 49 2.053 2.881 -2.967 1.00 1.26 H new ATOM 0 HG3 GLN A 49 0.982 4.050 -2.221 1.00 1.26 H new ATOM 0 HE21 GLN A 49 -0.547 3.368 -0.635 1.00 2.20 H new ATOM 0 HE22 GLN A 49 -0.335 1.836 0.219 1.00 2.20 H new ATOM 794 N LEU A 50 -0.408 6.261 -3.343 1.00 0.77 N ATOM 795 CA LEU A 50 0.115 7.594 -3.630 1.00 0.82 C ATOM 796 C LEU A 50 1.591 7.547 -4.002 1.00 0.89 C ATOM 797 O LEU A 50 2.352 6.713 -3.496 1.00 0.93 O ATOM 798 CB LEU A 50 -0.083 8.519 -2.426 1.00 0.75 C ATOM 799 CG LEU A 50 -1.530 8.680 -1.956 1.00 0.73 C ATOM 800 CD1 LEU A 50 -1.633 9.782 -0.912 1.00 1.01 C ATOM 801 CD2 LEU A 50 -2.446 8.976 -3.132 1.00 0.87 C ATOM 0 H LEU A 50 -0.760 6.146 -2.392 1.00 0.77 H new ATOM 0 HA LEU A 50 -0.441 7.986 -4.482 1.00 0.82 H new ATOM 0 HB2 LEU A 50 0.511 8.139 -1.595 1.00 0.75 H new ATOM 0 HB3 LEU A 50 0.312 9.504 -2.676 1.00 0.75 H new ATOM 0 HG LEU A 50 -1.847 7.742 -1.501 1.00 0.73 H new ATOM 0 HD11 LEU A 50 -2.669 9.882 -0.590 1.00 1.01 H new ATOM 0 HD12 LEU A 50 -1.009 9.530 -0.055 1.00 1.01 H new ATOM 0 HD13 LEU A 50 -1.295 10.724 -1.343 1.00 1.01 H new ATOM 0 HD21 LEU A 50 -3.470 9.087 -2.776 1.00 0.87 H new ATOM 0 HD22 LEU A 50 -2.128 9.899 -3.617 1.00 0.87 H new ATOM 0 HD23 LEU A 50 -2.397 8.155 -3.847 1.00 0.87 H new ATOM 813 N GLU A 51 1.990 8.441 -4.893 1.00 0.95 N ATOM 814 CA GLU A 51 3.368 8.511 -5.332 1.00 1.07 C ATOM 815 C GLU A 51 4.106 9.589 -4.549 1.00 0.91 C ATOM 816 O GLU A 51 3.642 10.726 -4.453 1.00 0.89 O ATOM 817 CB GLU A 51 3.434 8.792 -6.833 1.00 1.37 C ATOM 818 CG GLU A 51 4.837 8.693 -7.407 1.00 1.59 C ATOM 819 CD GLU A 51 4.838 8.351 -8.879 1.00 1.84 C ATOM 820 OE1 GLU A 51 4.460 7.214 -9.224 1.00 1.95 O ATOM 821 OE2 GLU A 51 5.231 9.211 -9.695 1.00 2.64 O ATOM 0 H GLU A 51 1.374 9.129 -5.326 1.00 0.95 H new ATOM 0 HA GLU A 51 3.850 7.552 -5.145 1.00 1.07 H new ATOM 0 HB2 GLU A 51 2.786 8.088 -7.355 1.00 1.37 H new ATOM 0 HB3 GLU A 51 3.041 9.790 -7.025 1.00 1.37 H new ATOM 0 HG2 GLU A 51 5.355 9.640 -7.257 1.00 1.59 H new ATOM 0 HG3 GLU A 51 5.397 7.934 -6.861 1.00 1.59 H new ATOM 828 N ASP A 52 5.255 9.220 -3.996 1.00 0.89 N ATOM 829 CA ASP A 52 6.079 10.131 -3.196 1.00 0.90 C ATOM 830 C ASP A 52 6.477 11.382 -3.976 1.00 1.06 C ATOM 831 O ASP A 52 6.780 12.418 -3.384 1.00 1.66 O ATOM 832 CB ASP A 52 7.347 9.420 -2.713 1.00 0.94 C ATOM 833 CG ASP A 52 7.068 8.300 -1.729 1.00 1.07 C ATOM 834 OD1 ASP A 52 5.890 8.074 -1.385 1.00 1.51 O ATOM 835 OD2 ASP A 52 8.033 7.631 -1.296 1.00 1.32 O ATOM 0 H ASP A 52 5.646 8.282 -4.087 1.00 0.89 H new ATOM 0 HA ASP A 52 5.473 10.437 -2.343 1.00 0.90 H new ATOM 0 HB2 ASP A 52 7.878 9.014 -3.574 1.00 0.94 H new ATOM 0 HB3 ASP A 52 8.008 10.149 -2.245 1.00 0.94 H new ATOM 840 N GLY A 53 6.476 11.281 -5.297 1.00 1.02 N ATOM 841 CA GLY A 53 6.855 12.408 -6.132 1.00 1.10 C ATOM 842 C GLY A 53 5.685 13.292 -6.531 1.00 1.05 C ATOM 843 O GLY A 53 5.831 14.174 -7.378 1.00 1.14 O ATOM 0 H GLY A 53 6.219 10.437 -5.809 1.00 1.02 H new ATOM 0 HA2 GLY A 53 7.591 13.012 -5.600 1.00 1.10 H new ATOM 0 HA3 GLY A 53 7.341 12.034 -7.033 1.00 1.10 H new ATOM 847 N ARG A 54 4.525 13.066 -5.935 1.00 0.93 N ATOM 848 CA ARG A 54 3.350 13.868 -6.252 1.00 0.91 C ATOM 849 C ARG A 54 3.062 14.858 -5.130 1.00 0.83 C ATOM 850 O ARG A 54 3.659 14.782 -4.053 1.00 0.82 O ATOM 851 CB ARG A 54 2.130 12.975 -6.497 1.00 0.93 C ATOM 852 CG ARG A 54 2.086 12.354 -7.888 1.00 1.03 C ATOM 853 CD ARG A 54 1.715 13.378 -8.953 1.00 1.30 C ATOM 854 NE ARG A 54 1.532 12.760 -10.266 1.00 1.89 N ATOM 855 CZ ARG A 54 0.582 13.105 -11.142 1.00 2.64 C ATOM 856 NH1 ARG A 54 -0.260 14.097 -10.879 1.00 2.91 N ATOM 857 NH2 ARG A 54 0.483 12.456 -12.293 1.00 3.46 N ATOM 0 H ARG A 54 4.370 12.341 -5.235 1.00 0.93 H new ATOM 0 HA ARG A 54 3.557 14.425 -7.166 1.00 0.91 H new ATOM 0 HB2 ARG A 54 2.121 12.178 -5.754 1.00 0.93 H new ATOM 0 HB3 ARG A 54 1.225 13.563 -6.344 1.00 0.93 H new ATOM 0 HG2 ARG A 54 3.058 11.921 -8.123 1.00 1.03 H new ATOM 0 HG3 ARG A 54 1.362 11.539 -7.900 1.00 1.03 H new ATOM 0 HD2 ARG A 54 0.797 13.888 -8.661 1.00 1.30 H new ATOM 0 HD3 ARG A 54 2.496 14.136 -9.015 1.00 1.30 H new ATOM 0 HE ARG A 54 2.174 12.013 -10.532 1.00 1.89 H new ATOM 0 HH11 ARG A 54 -0.188 14.608 -9.999 1.00 2.91 H new ATOM 0 HH12 ARG A 54 -0.979 14.349 -11.557 1.00 2.91 H new ATOM 0 HH21 ARG A 54 1.130 11.697 -12.508 1.00 3.46 H new ATOM 0 HH22 ARG A 54 -0.240 12.715 -12.964 1.00 3.46 H new ATOM 871 N THR A 55 2.153 15.785 -5.386 1.00 0.80 N ATOM 872 CA THR A 55 1.782 16.791 -4.407 1.00 0.76 C ATOM 873 C THR A 55 0.445 16.440 -3.763 1.00 0.71 C ATOM 874 O THR A 55 -0.315 15.639 -4.304 1.00 0.73 O ATOM 875 CB THR A 55 1.672 18.181 -5.067 1.00 0.81 C ATOM 876 OG1 THR A 55 2.331 18.171 -6.341 1.00 1.06 O ATOM 877 CG2 THR A 55 2.287 19.255 -4.187 1.00 0.96 C ATOM 0 H THR A 55 1.655 15.860 -6.273 1.00 0.80 H new ATOM 0 HA THR A 55 2.560 16.816 -3.644 1.00 0.76 H new ATOM 0 HB THR A 55 0.614 18.408 -5.202 1.00 0.81 H new ATOM 0 HG1 THR A 55 1.778 17.689 -6.991 1.00 1.06 H new ATOM 0 HG21 THR A 55 2.195 20.224 -4.678 1.00 0.96 H new ATOM 0 HG22 THR A 55 1.767 19.282 -3.229 1.00 0.96 H new ATOM 0 HG23 THR A 55 3.341 19.031 -4.022 1.00 0.96 H new ATOM 885 N LEU A 56 0.164 17.017 -2.603 1.00 0.68 N ATOM 886 CA LEU A 56 -1.100 16.766 -1.925 1.00 0.67 C ATOM 887 C LEU A 56 -2.268 17.216 -2.794 1.00 0.70 C ATOM 888 O LEU A 56 -3.259 16.498 -2.946 1.00 0.71 O ATOM 889 CB LEU A 56 -1.140 17.469 -0.569 1.00 0.68 C ATOM 890 CG LEU A 56 -1.040 16.535 0.637 1.00 0.76 C ATOM 891 CD1 LEU A 56 0.228 15.701 0.563 1.00 1.34 C ATOM 892 CD2 LEU A 56 -1.081 17.330 1.928 1.00 1.26 C ATOM 0 H LEU A 56 0.789 17.658 -2.114 1.00 0.68 H new ATOM 0 HA LEU A 56 -1.187 15.693 -1.753 1.00 0.67 H new ATOM 0 HB2 LEU A 56 -0.322 18.188 -0.523 1.00 0.68 H new ATOM 0 HB3 LEU A 56 -2.068 18.036 -0.496 1.00 0.68 H new ATOM 0 HG LEU A 56 -1.895 15.859 0.621 1.00 0.76 H new ATOM 0 HD11 LEU A 56 0.281 15.042 1.430 1.00 1.34 H new ATOM 0 HD12 LEU A 56 0.217 15.102 -0.348 1.00 1.34 H new ATOM 0 HD13 LEU A 56 1.097 16.359 0.553 1.00 1.34 H new ATOM 0 HD21 LEU A 56 -1.009 16.650 2.777 1.00 1.26 H new ATOM 0 HD22 LEU A 56 -0.245 18.029 1.951 1.00 1.26 H new ATOM 0 HD23 LEU A 56 -2.019 17.883 1.985 1.00 1.26 H new ATOM 904 N SER A 57 -2.146 18.403 -3.375 1.00 0.74 N ATOM 905 CA SER A 57 -3.175 18.949 -4.246 1.00 0.79 C ATOM 906 C SER A 57 -3.348 18.112 -5.520 1.00 0.82 C ATOM 907 O SER A 57 -4.314 18.292 -6.257 1.00 0.84 O ATOM 908 CB SER A 57 -2.805 20.389 -4.600 1.00 0.86 C ATOM 909 OG SER A 57 -1.504 20.706 -4.119 1.00 0.95 O ATOM 0 H SER A 57 -1.335 19.010 -3.256 1.00 0.74 H new ATOM 0 HA SER A 57 -4.128 18.925 -3.718 1.00 0.79 H new ATOM 0 HB2 SER A 57 -2.842 20.524 -5.681 1.00 0.86 H new ATOM 0 HB3 SER A 57 -3.535 21.074 -4.168 1.00 0.86 H new ATOM 0 HG SER A 57 -1.553 20.927 -3.165 1.00 0.95 H new ATOM 915 N ASP A 58 -2.426 17.177 -5.758 1.00 0.83 N ATOM 916 CA ASP A 58 -2.493 16.321 -6.941 1.00 0.88 C ATOM 917 C ASP A 58 -3.649 15.346 -6.808 1.00 0.88 C ATOM 918 O ASP A 58 -4.266 14.952 -7.795 1.00 0.94 O ATOM 919 CB ASP A 58 -1.196 15.526 -7.127 1.00 0.89 C ATOM 920 CG ASP A 58 -0.241 16.156 -8.117 1.00 0.87 C ATOM 921 OD1 ASP A 58 -0.601 16.276 -9.303 1.00 1.03 O ATOM 922 OD2 ASP A 58 0.891 16.497 -7.717 1.00 1.03 O ATOM 0 H ASP A 58 -1.628 16.995 -5.149 1.00 0.83 H new ATOM 0 HA ASP A 58 -2.639 16.965 -7.808 1.00 0.88 H new ATOM 0 HB2 ASP A 58 -0.697 15.429 -6.163 1.00 0.89 H new ATOM 0 HB3 ASP A 58 -1.441 14.518 -7.461 1.00 0.89 H new ATOM 927 N TYR A 59 -3.935 14.969 -5.567 1.00 0.84 N ATOM 928 CA TYR A 59 -5.008 14.028 -5.274 1.00 0.87 C ATOM 929 C TYR A 59 -6.168 14.720 -4.569 1.00 0.86 C ATOM 930 O TYR A 59 -6.948 14.069 -3.871 1.00 0.89 O ATOM 931 CB TYR A 59 -4.487 12.891 -4.389 1.00 0.81 C ATOM 932 CG TYR A 59 -3.300 12.153 -4.964 1.00 0.82 C ATOM 933 CD1 TYR A 59 -3.475 11.130 -5.886 1.00 0.90 C ATOM 934 CD2 TYR A 59 -2.002 12.476 -4.580 1.00 0.84 C ATOM 935 CE1 TYR A 59 -2.393 10.448 -6.403 1.00 0.98 C ATOM 936 CE2 TYR A 59 -0.917 11.798 -5.097 1.00 0.91 C ATOM 937 CZ TYR A 59 -1.117 10.785 -6.008 1.00 0.98 C ATOM 938 OH TYR A 59 -0.040 10.106 -6.525 1.00 1.11 O ATOM 0 H TYR A 59 -3.435 15.303 -4.743 1.00 0.84 H new ATOM 0 HA TYR A 59 -5.364 13.624 -6.222 1.00 0.87 H new ATOM 0 HB2 TYR A 59 -4.211 13.300 -3.417 1.00 0.81 H new ATOM 0 HB3 TYR A 59 -5.295 12.180 -4.218 1.00 0.81 H new ATOM 0 HD1 TYR A 59 -4.473 10.864 -6.203 1.00 0.90 H new ATOM 0 HD2 TYR A 59 -1.841 13.270 -3.866 1.00 0.84 H new ATOM 0 HE1 TYR A 59 -2.546 9.651 -7.116 1.00 0.98 H new ATOM 0 HE2 TYR A 59 0.084 12.061 -4.789 1.00 0.91 H new ATOM 0 HH TYR A 59 -0.233 9.840 -7.448 1.00 1.11 H new ATOM 948 N ASN A 60 -6.302 16.031 -4.774 1.00 0.86 N ATOM 949 CA ASN A 60 -7.366 16.820 -4.148 1.00 0.87 C ATOM 950 C ASN A 60 -7.365 16.695 -2.622 1.00 0.80 C ATOM 951 O ASN A 60 -8.419 16.729 -1.985 1.00 0.81 O ATOM 952 CB ASN A 60 -8.733 16.426 -4.722 1.00 0.95 C ATOM 953 CG ASN A 60 -9.766 17.518 -4.542 1.00 1.00 C ATOM 954 OD1 ASN A 60 -9.425 18.678 -4.311 1.00 0.99 O ATOM 955 ND2 ASN A 60 -11.033 17.163 -4.651 1.00 1.07 N ATOM 0 H ASN A 60 -5.681 16.574 -5.374 1.00 0.86 H new ATOM 0 HA ASN A 60 -7.170 17.867 -4.381 1.00 0.87 H new ATOM 0 HB2 ASN A 60 -8.628 16.199 -5.783 1.00 0.95 H new ATOM 0 HB3 ASN A 60 -9.081 15.515 -4.234 1.00 0.95 H new ATOM 0 HD21 ASN A 60 -11.769 17.861 -4.543 1.00 1.07 H new ATOM 0 HD22 ASN A 60 -11.276 16.191 -4.843 1.00 1.07 H new ATOM 962 N ILE A 61 -6.184 16.560 -2.038 1.00 0.75 N ATOM 963 CA ILE A 61 -6.062 16.457 -0.591 1.00 0.70 C ATOM 964 C ILE A 61 -6.103 17.853 0.016 1.00 0.72 C ATOM 965 O ILE A 61 -5.372 18.748 -0.415 1.00 0.76 O ATOM 966 CB ILE A 61 -4.762 15.733 -0.178 1.00 0.66 C ATOM 967 CG1 ILE A 61 -4.696 14.351 -0.838 1.00 0.66 C ATOM 968 CG2 ILE A 61 -4.677 15.606 1.339 1.00 0.63 C ATOM 969 CD1 ILE A 61 -3.335 13.693 -0.749 1.00 0.63 C ATOM 0 H ILE A 61 -5.298 16.519 -2.542 1.00 0.75 H new ATOM 0 HA ILE A 61 -6.897 15.865 -0.217 1.00 0.70 H new ATOM 0 HB ILE A 61 -3.911 16.324 -0.518 1.00 0.66 H new ATOM 0 HG12 ILE A 61 -5.435 13.700 -0.370 1.00 0.66 H new ATOM 0 HG13 ILE A 61 -4.975 14.447 -1.887 1.00 0.66 H new ATOM 0 HG21 ILE A 61 -3.754 15.093 1.610 1.00 0.63 H new ATOM 0 HG22 ILE A 61 -4.686 16.599 1.788 1.00 0.63 H new ATOM 0 HG23 ILE A 61 -5.530 15.035 1.705 1.00 0.63 H new ATOM 0 HD11 ILE A 61 -3.369 12.720 -1.238 1.00 0.63 H new ATOM 0 HD12 ILE A 61 -2.594 14.322 -1.243 1.00 0.63 H new ATOM 0 HD13 ILE A 61 -3.061 13.564 0.298 1.00 0.63 H new ATOM 981 N GLN A 62 -6.968 18.043 1.002 1.00 0.72 N ATOM 982 CA GLN A 62 -7.119 19.339 1.645 1.00 0.75 C ATOM 983 C GLN A 62 -7.074 19.197 3.161 1.00 0.73 C ATOM 984 O GLN A 62 -6.638 18.174 3.690 1.00 0.70 O ATOM 985 CB GLN A 62 -8.448 19.977 1.227 1.00 0.82 C ATOM 986 CG GLN A 62 -8.614 20.139 -0.277 1.00 0.86 C ATOM 987 CD GLN A 62 -10.065 20.281 -0.692 1.00 0.98 C ATOM 988 OE1 GLN A 62 -10.898 20.777 0.064 1.00 1.04 O ATOM 989 NE2 GLN A 62 -10.376 19.837 -1.898 1.00 1.14 N ATOM 0 H GLN A 62 -7.577 17.314 1.374 1.00 0.72 H new ATOM 0 HA GLN A 62 -6.294 19.977 1.330 1.00 0.75 H new ATOM 0 HB2 GLN A 62 -9.267 19.367 1.608 1.00 0.82 H new ATOM 0 HB3 GLN A 62 -8.533 20.956 1.699 1.00 0.82 H new ATOM 0 HG2 GLN A 62 -8.058 21.016 -0.608 1.00 0.86 H new ATOM 0 HG3 GLN A 62 -8.178 19.277 -0.782 1.00 0.86 H new ATOM 0 HE21 GLN A 62 -9.654 19.432 -2.494 1.00 1.14 H new ATOM 0 HE22 GLN A 62 -11.338 19.899 -2.232 1.00 1.14 H new ATOM 998 N LYS A 63 -7.510 20.238 3.857 1.00 0.78 N ATOM 999 CA LYS A 63 -7.546 20.228 5.310 1.00 0.81 C ATOM 1000 C LYS A 63 -8.587 19.227 5.802 1.00 0.84 C ATOM 1001 O LYS A 63 -9.562 18.948 5.104 1.00 0.88 O ATOM 1002 CB LYS A 63 -7.861 21.632 5.838 1.00 0.89 C ATOM 1003 CG LYS A 63 -9.202 22.177 5.365 1.00 0.98 C ATOM 1004 CD LYS A 63 -9.153 23.681 5.145 1.00 1.05 C ATOM 1005 CE LYS A 63 -8.305 24.044 3.936 1.00 1.20 C ATOM 1006 NZ LYS A 63 -8.680 25.364 3.366 1.00 1.50 N ATOM 0 H LYS A 63 -7.845 21.104 3.434 1.00 0.78 H new ATOM 0 HA LYS A 63 -6.569 19.926 5.687 1.00 0.81 H new ATOM 0 HB2 LYS A 63 -7.851 21.611 6.928 1.00 0.89 H new ATOM 0 HB3 LYS A 63 -7.071 22.314 5.525 1.00 0.89 H new ATOM 0 HG2 LYS A 63 -9.488 21.683 4.437 1.00 0.98 H new ATOM 0 HG3 LYS A 63 -9.970 21.942 6.102 1.00 0.98 H new ATOM 0 HD2 LYS A 63 -10.165 24.062 5.008 1.00 1.05 H new ATOM 0 HD3 LYS A 63 -8.748 24.166 6.033 1.00 1.05 H new ATOM 0 HE2 LYS A 63 -7.253 24.059 4.223 1.00 1.20 H new ATOM 0 HE3 LYS A 63 -8.416 23.275 3.172 1.00 1.20 H new ATOM 0 HZ1 LYS A 63 -8.077 25.571 2.544 1.00 1.50 H new ATOM 0 HZ2 LYS A 63 -9.676 25.343 3.068 1.00 1.50 H new ATOM 0 HZ3 LYS A 63 -8.550 26.103 4.086 1.00 1.50 H new ATOM 1020 N GLU A 64 -8.374 18.702 7.006 1.00 0.86 N ATOM 1021 CA GLU A 64 -9.272 17.717 7.614 1.00 0.91 C ATOM 1022 C GLU A 64 -9.361 16.416 6.807 1.00 0.83 C ATOM 1023 O GLU A 64 -10.136 15.522 7.154 1.00 0.87 O ATOM 1024 CB GLU A 64 -10.673 18.307 7.802 1.00 1.04 C ATOM 1025 CG GLU A 64 -10.727 19.429 8.822 1.00 1.15 C ATOM 1026 CD GLU A 64 -10.341 18.962 10.209 1.00 1.26 C ATOM 1027 OE1 GLU A 64 -11.157 18.272 10.856 1.00 1.73 O ATOM 1028 OE2 GLU A 64 -9.222 19.283 10.658 1.00 1.64 O ATOM 0 H GLU A 64 -7.574 18.946 7.590 1.00 0.86 H new ATOM 0 HA GLU A 64 -8.845 17.469 8.586 1.00 0.91 H new ATOM 0 HB2 GLU A 64 -11.032 18.681 6.843 1.00 1.04 H new ATOM 0 HB3 GLU A 64 -11.354 17.514 8.110 1.00 1.04 H new ATOM 0 HG2 GLU A 64 -10.058 20.232 8.512 1.00 1.15 H new ATOM 0 HG3 GLU A 64 -11.734 19.845 8.848 1.00 1.15 H new ATOM 1035 N SER A 65 -8.579 16.300 5.740 1.00 0.74 N ATOM 1036 CA SER A 65 -8.604 15.097 4.924 1.00 0.68 C ATOM 1037 C SER A 65 -7.971 13.936 5.679 1.00 0.61 C ATOM 1038 O SER A 65 -7.135 14.137 6.564 1.00 0.59 O ATOM 1039 CB SER A 65 -7.894 15.329 3.589 1.00 0.65 C ATOM 1040 OG SER A 65 -8.602 16.267 2.789 1.00 0.72 O ATOM 0 H SER A 65 -7.927 17.018 5.424 1.00 0.74 H new ATOM 0 HA SER A 65 -9.643 14.846 4.710 1.00 0.68 H new ATOM 0 HB2 SER A 65 -6.882 15.691 3.770 1.00 0.65 H new ATOM 0 HB3 SER A 65 -7.803 14.384 3.053 1.00 0.65 H new ATOM 0 HG SER A 65 -8.865 15.844 1.945 1.00 0.72 H new ATOM 1046 N THR A 66 -8.380 12.727 5.339 1.00 0.59 N ATOM 1047 CA THR A 66 -7.873 11.541 5.995 1.00 0.57 C ATOM 1048 C THR A 66 -7.315 10.553 4.979 1.00 0.55 C ATOM 1049 O THR A 66 -8.030 10.082 4.094 1.00 0.61 O ATOM 1050 CB THR A 66 -8.976 10.872 6.834 1.00 0.66 C ATOM 1051 OG1 THR A 66 -9.630 11.867 7.633 1.00 0.76 O ATOM 1052 CG2 THR A 66 -8.403 9.790 7.736 1.00 0.68 C ATOM 0 H THR A 66 -9.066 12.543 4.607 1.00 0.59 H new ATOM 0 HA THR A 66 -7.064 11.846 6.659 1.00 0.57 H new ATOM 0 HB THR A 66 -9.690 10.405 6.156 1.00 0.66 H new ATOM 0 HG1 THR A 66 -10.335 11.446 8.168 1.00 0.76 H new ATOM 0 HG21 THR A 66 -9.207 9.336 8.316 1.00 0.68 H new ATOM 0 HG22 THR A 66 -7.920 9.027 7.126 1.00 0.68 H new ATOM 0 HG23 THR A 66 -7.671 10.231 8.413 1.00 0.68 H new ATOM 1060 N LEU A 67 -6.032 10.256 5.105 1.00 0.51 N ATOM 1061 CA LEU A 67 -5.369 9.328 4.203 1.00 0.53 C ATOM 1062 C LEU A 67 -5.115 8.005 4.912 1.00 0.56 C ATOM 1063 O LEU A 67 -4.859 7.982 6.118 1.00 0.77 O ATOM 1064 CB LEU A 67 -4.042 9.915 3.709 1.00 0.53 C ATOM 1065 CG LEU A 67 -4.135 11.300 3.062 1.00 0.58 C ATOM 1066 CD1 LEU A 67 -2.747 11.844 2.762 1.00 0.73 C ATOM 1067 CD2 LEU A 67 -4.969 11.244 1.793 1.00 0.84 C ATOM 0 H LEU A 67 -5.426 10.646 5.827 1.00 0.51 H new ATOM 0 HA LEU A 67 -6.018 9.157 3.344 1.00 0.53 H new ATOM 0 HB2 LEU A 67 -3.354 9.972 4.552 1.00 0.53 H new ATOM 0 HB3 LEU A 67 -3.605 9.224 2.987 1.00 0.53 H new ATOM 0 HG LEU A 67 -4.625 11.973 3.766 1.00 0.58 H new ATOM 0 HD11 LEU A 67 -2.834 12.829 2.303 1.00 0.73 H new ATOM 0 HD12 LEU A 67 -2.180 11.925 3.689 1.00 0.73 H new ATOM 0 HD13 LEU A 67 -2.231 11.169 2.079 1.00 0.73 H new ATOM 0 HD21 LEU A 67 -5.023 12.238 1.349 1.00 0.84 H new ATOM 0 HD22 LEU A 67 -4.509 10.555 1.085 1.00 0.84 H new ATOM 0 HD23 LEU A 67 -5.975 10.899 2.033 1.00 0.84 H new ATOM 1079 N HIS A 68 -5.215 6.910 4.177 1.00 0.50 N ATOM 1080 CA HIS A 68 -4.983 5.594 4.751 1.00 0.54 C ATOM 1081 C HIS A 68 -3.505 5.242 4.665 1.00 0.49 C ATOM 1082 O HIS A 68 -2.894 5.346 3.603 1.00 0.50 O ATOM 1083 CB HIS A 68 -5.825 4.539 4.033 1.00 0.63 C ATOM 1084 CG HIS A 68 -6.456 3.531 4.950 1.00 0.70 C ATOM 1085 ND1 HIS A 68 -6.398 3.609 6.330 1.00 1.18 N ATOM 1086 CD2 HIS A 68 -7.181 2.423 4.672 1.00 1.42 C ATOM 1087 CE1 HIS A 68 -7.060 2.593 6.852 1.00 1.33 C ATOM 1088 NE2 HIS A 68 -7.546 1.860 5.870 1.00 1.45 N ATOM 0 H HIS A 68 -5.454 6.905 3.185 1.00 0.50 H new ATOM 0 HA HIS A 68 -5.280 5.613 5.800 1.00 0.54 H new ATOM 0 HB2 HIS A 68 -6.610 5.040 3.466 1.00 0.63 H new ATOM 0 HB3 HIS A 68 -5.196 4.016 3.313 1.00 0.63 H new ATOM 0 HD1 HIS A 68 -5.919 4.337 6.861 1.00 1.18 H new ATOM 0 HD2 HIS A 68 -7.427 2.050 3.689 1.00 1.42 H new ATOM 0 HE1 HIS A 68 -7.183 2.396 7.907 1.00 1.33 H new ATOM 1097 N LEU A 69 -2.941 4.832 5.786 1.00 0.48 N ATOM 1098 CA LEU A 69 -1.533 4.472 5.847 1.00 0.47 C ATOM 1099 C LEU A 69 -1.371 2.971 6.050 1.00 0.53 C ATOM 1100 O LEU A 69 -2.287 2.295 6.513 1.00 0.64 O ATOM 1101 CB LEU A 69 -0.834 5.227 6.982 1.00 0.49 C ATOM 1102 CG LEU A 69 0.298 6.167 6.560 1.00 0.67 C ATOM 1103 CD1 LEU A 69 0.951 6.792 7.783 1.00 0.90 C ATOM 1104 CD2 LEU A 69 1.336 5.432 5.728 1.00 1.00 C ATOM 0 H LEU A 69 -3.438 4.739 6.672 1.00 0.48 H new ATOM 0 HA LEU A 69 -1.072 4.751 4.900 1.00 0.47 H new ATOM 0 HB2 LEU A 69 -1.582 5.809 7.520 1.00 0.49 H new ATOM 0 HB3 LEU A 69 -0.432 4.497 7.685 1.00 0.49 H new ATOM 0 HG LEU A 69 -0.132 6.959 5.946 1.00 0.67 H new ATOM 0 HD11 LEU A 69 1.754 7.458 7.466 1.00 0.90 H new ATOM 0 HD12 LEU A 69 0.208 7.360 8.342 1.00 0.90 H new ATOM 0 HD13 LEU A 69 1.360 6.007 8.418 1.00 0.90 H new ATOM 0 HD21 LEU A 69 2.129 6.123 5.442 1.00 1.00 H new ATOM 0 HD22 LEU A 69 1.760 4.616 6.313 1.00 1.00 H new ATOM 0 HD23 LEU A 69 0.865 5.029 4.832 1.00 1.00 H new ATOM 1116 N VAL A 70 -0.207 2.466 5.679 1.00 0.53 N ATOM 1117 CA VAL A 70 0.124 1.058 5.827 1.00 0.59 C ATOM 1118 C VAL A 70 1.602 0.939 6.177 1.00 0.57 C ATOM 1119 O VAL A 70 2.443 1.605 5.566 1.00 0.57 O ATOM 1120 CB VAL A 70 -0.197 0.259 4.538 1.00 0.65 C ATOM 1121 CG1 VAL A 70 0.637 -1.007 4.434 1.00 1.08 C ATOM 1122 CG2 VAL A 70 -1.671 -0.093 4.499 1.00 1.05 C ATOM 0 H VAL A 70 0.540 3.024 5.264 1.00 0.53 H new ATOM 0 HA VAL A 70 -0.484 0.633 6.626 1.00 0.59 H new ATOM 0 HB VAL A 70 0.053 0.893 3.687 1.00 0.65 H new ATOM 0 HG11 VAL A 70 0.381 -1.537 3.517 1.00 1.08 H new ATOM 0 HG12 VAL A 70 1.695 -0.745 4.419 1.00 1.08 H new ATOM 0 HG13 VAL A 70 0.434 -1.648 5.292 1.00 1.08 H new ATOM 0 HG21 VAL A 70 -1.887 -0.654 3.590 1.00 1.05 H new ATOM 0 HG22 VAL A 70 -1.923 -0.700 5.369 1.00 1.05 H new ATOM 0 HG23 VAL A 70 -2.264 0.822 4.510 1.00 1.05 H new ATOM 1132 N LEU A 71 1.910 0.113 7.168 1.00 0.61 N ATOM 1133 CA LEU A 71 3.285 -0.065 7.612 1.00 0.63 C ATOM 1134 C LEU A 71 4.055 -0.998 6.685 1.00 0.64 C ATOM 1135 O LEU A 71 3.485 -1.630 5.793 1.00 0.70 O ATOM 1136 CB LEU A 71 3.315 -0.614 9.041 1.00 0.73 C ATOM 1137 CG LEU A 71 2.607 0.253 10.087 1.00 0.86 C ATOM 1138 CD1 LEU A 71 2.680 -0.399 11.457 1.00 0.97 C ATOM 1139 CD2 LEU A 71 3.212 1.649 10.131 1.00 0.98 C ATOM 0 H LEU A 71 1.226 -0.444 7.679 1.00 0.61 H new ATOM 0 HA LEU A 71 3.768 0.912 7.589 1.00 0.63 H new ATOM 0 HB2 LEU A 71 2.858 -1.604 9.043 1.00 0.73 H new ATOM 0 HB3 LEU A 71 4.355 -0.743 9.342 1.00 0.73 H new ATOM 0 HG LEU A 71 1.559 0.343 9.801 1.00 0.86 H new ATOM 0 HD11 LEU A 71 2.172 0.231 12.187 1.00 0.97 H new ATOM 0 HD12 LEU A 71 2.197 -1.375 11.421 1.00 0.97 H new ATOM 0 HD13 LEU A 71 3.724 -0.521 11.747 1.00 0.97 H new ATOM 0 HD21 LEU A 71 2.694 2.247 10.881 1.00 0.98 H new ATOM 0 HD22 LEU A 71 4.269 1.580 10.389 1.00 0.98 H new ATOM 0 HD23 LEU A 71 3.108 2.122 9.154 1.00 0.98 H new ATOM 1151 N ARG A 72 5.354 -1.081 6.907 1.00 0.88 N ATOM 1152 CA ARG A 72 6.222 -1.930 6.112 1.00 0.97 C ATOM 1153 C ARG A 72 7.356 -2.451 6.978 1.00 1.16 C ATOM 1154 O ARG A 72 7.684 -1.850 8.000 1.00 1.48 O ATOM 1155 CB ARG A 72 6.787 -1.150 4.923 1.00 1.07 C ATOM 1156 CG ARG A 72 5.956 -1.255 3.654 1.00 1.39 C ATOM 1157 CD ARG A 72 6.576 -2.222 2.659 1.00 1.15 C ATOM 1158 NE ARG A 72 6.563 -3.602 3.148 1.00 1.50 N ATOM 1159 CZ ARG A 72 7.652 -4.354 3.297 1.00 1.88 C ATOM 1160 NH1 ARG A 72 8.852 -3.863 3.011 1.00 2.11 N ATOM 1161 NH2 ARG A 72 7.536 -5.602 3.734 1.00 2.62 N ATOM 0 H ARG A 72 5.836 -0.563 7.642 1.00 0.88 H new ATOM 0 HA ARG A 72 5.643 -2.771 5.731 1.00 0.97 H new ATOM 0 HB2 ARG A 72 6.874 -0.100 5.201 1.00 1.07 H new ATOM 0 HB3 ARG A 72 7.795 -1.509 4.714 1.00 1.07 H new ATOM 0 HG2 ARG A 72 4.948 -1.586 3.905 1.00 1.39 H new ATOM 0 HG3 ARG A 72 5.864 -0.270 3.196 1.00 1.39 H new ATOM 0 HD2 ARG A 72 6.033 -2.168 1.715 1.00 1.15 H new ATOM 0 HD3 ARG A 72 7.603 -1.921 2.454 1.00 1.15 H new ATOM 0 HE ARG A 72 5.662 -4.014 3.390 1.00 1.50 H new ATOM 0 HH11 ARG A 72 8.944 -2.904 2.675 1.00 2.11 H new ATOM 0 HH12 ARG A 72 9.682 -4.444 3.127 1.00 2.11 H new ATOM 0 HH21 ARG A 72 6.615 -5.982 3.954 1.00 2.62 H new ATOM 0 HH22 ARG A 72 8.368 -6.181 3.849 1.00 2.62 H new ATOM 1175 N LEU A 73 7.945 -3.562 6.576 1.00 1.26 N ATOM 1176 CA LEU A 73 9.042 -4.152 7.323 1.00 1.52 C ATOM 1177 C LEU A 73 10.193 -4.475 6.384 1.00 1.66 C ATOM 1178 O LEU A 73 10.033 -5.244 5.437 1.00 1.74 O ATOM 1179 CB LEU A 73 8.576 -5.422 8.041 1.00 1.76 C ATOM 1180 CG LEU A 73 8.747 -5.420 9.563 1.00 1.75 C ATOM 1181 CD1 LEU A 73 10.206 -5.226 9.941 1.00 2.34 C ATOM 1182 CD2 LEU A 73 7.885 -4.339 10.198 1.00 1.97 C ATOM 0 H LEU A 73 7.682 -4.075 5.735 1.00 1.26 H new ATOM 0 HA LEU A 73 9.383 -3.436 8.071 1.00 1.52 H new ATOM 0 HB2 LEU A 73 7.523 -5.582 7.812 1.00 1.76 H new ATOM 0 HB3 LEU A 73 9.124 -6.271 7.633 1.00 1.76 H new ATOM 0 HG LEU A 73 8.421 -6.388 9.942 1.00 1.75 H new ATOM 0 HD11 LEU A 73 10.304 -5.228 11.027 1.00 2.34 H new ATOM 0 HD12 LEU A 73 10.801 -6.037 9.522 1.00 2.34 H new ATOM 0 HD13 LEU A 73 10.561 -4.274 9.546 1.00 2.34 H new ATOM 0 HD21 LEU A 73 8.021 -4.354 11.279 1.00 1.97 H new ATOM 0 HD22 LEU A 73 8.179 -3.364 9.809 1.00 1.97 H new ATOM 0 HD23 LEU A 73 6.837 -4.523 9.961 1.00 1.97 H new ATOM 1194 N ARG A 74 11.346 -3.877 6.646 1.00 2.10 N ATOM 1195 CA ARG A 74 12.528 -4.098 5.823 1.00 2.39 C ATOM 1196 C ARG A 74 13.088 -5.498 6.039 1.00 2.58 C ATOM 1197 O ARG A 74 13.637 -6.106 5.121 1.00 2.82 O ATOM 1198 CB ARG A 74 13.596 -3.048 6.133 1.00 2.88 C ATOM 1199 CG ARG A 74 13.393 -1.743 5.380 1.00 2.99 C ATOM 1200 CD ARG A 74 13.738 -1.903 3.908 1.00 3.11 C ATOM 1201 NE ARG A 74 12.730 -1.308 3.030 1.00 3.20 N ATOM 1202 CZ ARG A 74 12.130 -1.960 2.037 1.00 3.72 C ATOM 1203 NH1 ARG A 74 12.416 -3.240 1.805 1.00 4.12 N ATOM 1204 NH2 ARG A 74 11.250 -1.328 1.269 1.00 4.33 N ATOM 0 H ARG A 74 11.489 -3.233 7.424 1.00 2.10 H new ATOM 0 HA ARG A 74 12.235 -4.005 4.777 1.00 2.39 H new ATOM 0 HB2 ARG A 74 13.596 -2.845 7.204 1.00 2.88 H new ATOM 0 HB3 ARG A 74 14.577 -3.454 5.885 1.00 2.88 H new ATOM 0 HG2 ARG A 74 12.357 -1.418 5.481 1.00 2.99 H new ATOM 0 HG3 ARG A 74 14.016 -0.964 5.820 1.00 2.99 H new ATOM 0 HD2 ARG A 74 14.705 -1.440 3.712 1.00 3.11 H new ATOM 0 HD3 ARG A 74 13.839 -2.963 3.675 1.00 3.11 H new ATOM 0 HE ARG A 74 12.471 -0.334 3.189 1.00 3.20 H new ATOM 0 HH11 ARG A 74 13.097 -3.724 2.390 1.00 4.12 H new ATOM 0 HH12 ARG A 74 11.954 -3.736 1.043 1.00 4.12 H new ATOM 0 HH21 ARG A 74 11.036 -0.346 1.441 1.00 4.33 H new ATOM 0 HH22 ARG A 74 10.788 -1.825 0.507 1.00 4.33 H new ATOM 1218 N GLY A 75 12.951 -6.002 7.254 1.00 2.94 N ATOM 1219 CA GLY A 75 13.436 -7.330 7.565 1.00 3.23 C ATOM 1220 C GLY A 75 12.381 -8.161 8.260 1.00 2.96 C ATOM 1221 O GLY A 75 12.628 -8.734 9.321 1.00 3.19 O ATOM 0 H GLY A 75 12.511 -5.514 8.034 1.00 2.94 H new ATOM 0 HA2 GLY A 75 13.746 -7.829 6.647 1.00 3.23 H new ATOM 0 HA3 GLY A 75 14.318 -7.256 8.201 1.00 3.23 H new ATOM 1225 N GLY A 76 11.198 -8.219 7.665 1.00 2.87 N ATOM 1226 CA GLY A 76 10.111 -8.977 8.247 1.00 2.77 C ATOM 1227 C GLY A 76 8.850 -8.871 7.421 1.00 2.78 C ATOM 1228 O GLY A 76 8.969 -8.664 6.186 1.00 3.13 O ATOM 0 H GLY A 76 10.972 -7.753 6.787 1.00 2.87 H new ATOM 0 HA2 GLY A 76 10.403 -10.024 8.333 1.00 2.77 H new ATOM 0 HA3 GLY A 76 9.916 -8.616 9.257 1.00 2.77 H new TER 1232 GLY A 76 ATOM 1233 N MET B 1 -4.555 -24.094 -0.098 1.00 0.61 N ATOM 1234 CA MET B 1 -5.496 -23.342 0.765 1.00 0.57 C ATOM 1235 C MET B 1 -5.907 -22.062 0.058 1.00 0.53 C ATOM 1236 O MET B 1 -5.146 -21.524 -0.740 1.00 0.56 O ATOM 1237 CB MET B 1 -4.852 -23.023 2.121 1.00 0.59 C ATOM 1238 CG MET B 1 -3.671 -22.068 2.036 1.00 0.58 C ATOM 1239 SD MET B 1 -2.821 -21.866 3.613 1.00 0.63 S ATOM 1240 CE MET B 1 -1.588 -20.646 3.166 1.00 0.64 C ATOM 0 H1 MET B 1 -4.192 -24.919 0.421 1.00 0.61 H new ATOM 0 H2 MET B 1 -5.050 -24.414 -0.955 1.00 0.61 H new ATOM 0 H3 MET B 1 -3.762 -23.477 -0.367 1.00 0.61 H new ATOM 0 HA MET B 1 -6.379 -23.954 0.950 1.00 0.57 H new ATOM 0 HB2 MET B 1 -5.608 -22.592 2.778 1.00 0.59 H new ATOM 0 HB3 MET B 1 -4.521 -23.953 2.582 1.00 0.59 H new ATOM 0 HG2 MET B 1 -2.964 -22.436 1.292 1.00 0.58 H new ATOM 0 HG3 MET B 1 -4.020 -21.095 1.690 1.00 0.58 H new ATOM 0 HE1 MET B 1 -0.868 -20.542 3.978 1.00 0.64 H new ATOM 0 HE2 MET B 1 -1.071 -20.966 2.262 1.00 0.64 H new ATOM 0 HE3 MET B 1 -2.074 -19.687 2.986 1.00 0.64 H new ATOM 1252 N GLN B 2 -7.097 -21.565 0.335 1.00 0.59 N ATOM 1253 CA GLN B 2 -7.567 -20.361 -0.316 1.00 0.58 C ATOM 1254 C GLN B 2 -7.493 -19.166 0.625 1.00 0.55 C ATOM 1255 O GLN B 2 -7.721 -19.290 1.832 1.00 0.63 O ATOM 1256 CB GLN B 2 -9.005 -20.558 -0.803 1.00 0.69 C ATOM 1257 CG GLN B 2 -9.549 -19.385 -1.600 1.00 1.50 C ATOM 1258 CD GLN B 2 -11.008 -19.557 -1.964 1.00 1.69 C ATOM 1259 OE1 GLN B 2 -11.337 -20.089 -3.023 1.00 1.60 O ATOM 1260 NE2 GLN B 2 -11.891 -19.105 -1.089 1.00 2.50 N ATOM 0 H GLN B 2 -7.751 -21.974 1.002 1.00 0.59 H new ATOM 0 HA GLN B 2 -6.922 -20.160 -1.171 1.00 0.58 H new ATOM 0 HB2 GLN B 2 -9.050 -21.456 -1.419 1.00 0.69 H new ATOM 0 HB3 GLN B 2 -9.650 -20.730 0.059 1.00 0.69 H new ATOM 0 HG2 GLN B 2 -9.428 -18.469 -1.021 1.00 1.50 H new ATOM 0 HG3 GLN B 2 -8.962 -19.266 -2.511 1.00 1.50 H new ATOM 0 HE21 GLN B 2 -11.574 -18.670 -0.223 1.00 2.50 H new ATOM 0 HE22 GLN B 2 -12.889 -19.191 -1.281 1.00 2.50 H new ATOM 1269 N ILE B 3 -7.148 -18.018 0.067 1.00 0.50 N ATOM 1270 CA ILE B 3 -7.065 -16.785 0.828 1.00 0.50 C ATOM 1271 C ILE B 3 -7.994 -15.753 0.215 1.00 0.50 C ATOM 1272 O ILE B 3 -8.417 -15.896 -0.935 1.00 0.50 O ATOM 1273 CB ILE B 3 -5.630 -16.216 0.876 1.00 0.50 C ATOM 1274 CG1 ILE B 3 -5.050 -16.089 -0.538 1.00 0.49 C ATOM 1275 CG2 ILE B 3 -4.744 -17.091 1.750 1.00 0.52 C ATOM 1276 CD1 ILE B 3 -3.753 -15.311 -0.598 1.00 0.55 C ATOM 0 H ILE B 3 -6.919 -17.915 -0.922 1.00 0.50 H new ATOM 0 HA ILE B 3 -7.362 -17.012 1.852 1.00 0.50 H new ATOM 0 HB ILE B 3 -5.666 -15.219 1.315 1.00 0.50 H new ATOM 0 HG12 ILE B 3 -4.883 -17.087 -0.943 1.00 0.49 H new ATOM 0 HG13 ILE B 3 -5.785 -15.603 -1.180 1.00 0.49 H new ATOM 0 HG21 ILE B 3 -3.736 -16.678 1.775 1.00 0.52 H new ATOM 0 HG22 ILE B 3 -5.148 -17.122 2.762 1.00 0.52 H new ATOM 0 HG23 ILE B 3 -4.713 -18.101 1.341 1.00 0.52 H new ATOM 0 HD11 ILE B 3 -3.404 -15.264 -1.630 1.00 0.55 H new ATOM 0 HD12 ILE B 3 -3.917 -14.301 -0.224 1.00 0.55 H new ATOM 0 HD13 ILE B 3 -3.002 -15.808 0.016 1.00 0.55 H new ATOM 1288 N PHE B 4 -8.319 -14.726 0.978 1.00 0.54 N ATOM 1289 CA PHE B 4 -9.204 -13.678 0.503 1.00 0.58 C ATOM 1290 C PHE B 4 -8.434 -12.381 0.343 1.00 0.56 C ATOM 1291 O PHE B 4 -7.932 -11.830 1.317 1.00 0.56 O ATOM 1292 CB PHE B 4 -10.368 -13.477 1.480 1.00 0.65 C ATOM 1293 CG PHE B 4 -11.206 -14.706 1.689 1.00 0.72 C ATOM 1294 CD1 PHE B 4 -12.281 -14.974 0.858 1.00 1.07 C ATOM 1295 CD2 PHE B 4 -10.921 -15.592 2.716 1.00 1.13 C ATOM 1296 CE1 PHE B 4 -13.056 -16.102 1.048 1.00 1.13 C ATOM 1297 CE2 PHE B 4 -11.694 -16.722 2.910 1.00 1.24 C ATOM 1298 CZ PHE B 4 -12.763 -16.978 2.073 1.00 0.96 C ATOM 0 H PHE B 4 -7.982 -14.595 1.932 1.00 0.54 H new ATOM 0 HA PHE B 4 -9.607 -13.976 -0.465 1.00 0.58 H new ATOM 0 HB2 PHE B 4 -9.970 -13.152 2.442 1.00 0.65 H new ATOM 0 HB3 PHE B 4 -11.005 -12.673 1.111 1.00 0.65 H new ATOM 0 HD1 PHE B 4 -12.516 -14.294 0.053 1.00 1.07 H new ATOM 0 HD2 PHE B 4 -10.086 -15.398 3.372 1.00 1.13 H new ATOM 0 HE1 PHE B 4 -13.892 -16.298 0.393 1.00 1.13 H new ATOM 0 HE2 PHE B 4 -11.462 -17.404 3.715 1.00 1.24 H new ATOM 0 HZ PHE B 4 -13.367 -17.861 2.221 1.00 0.96 H new ATOM 1308 N VAL B 5 -8.338 -11.896 -0.882 1.00 0.54 N ATOM 1309 CA VAL B 5 -7.627 -10.659 -1.156 1.00 0.54 C ATOM 1310 C VAL B 5 -8.622 -9.558 -1.493 1.00 0.55 C ATOM 1311 O VAL B 5 -9.234 -9.563 -2.559 1.00 0.55 O ATOM 1312 CB VAL B 5 -6.621 -10.822 -2.317 1.00 0.54 C ATOM 1313 CG1 VAL B 5 -5.827 -9.542 -2.529 1.00 0.55 C ATOM 1314 CG2 VAL B 5 -5.687 -11.997 -2.062 1.00 0.57 C ATOM 0 H VAL B 5 -8.744 -12.341 -1.705 1.00 0.54 H new ATOM 0 HA VAL B 5 -7.065 -10.393 -0.261 1.00 0.54 H new ATOM 0 HB VAL B 5 -7.186 -11.026 -3.227 1.00 0.54 H new ATOM 0 HG11 VAL B 5 -5.125 -9.681 -3.351 1.00 0.55 H new ATOM 0 HG12 VAL B 5 -6.509 -8.726 -2.768 1.00 0.55 H new ATOM 0 HG13 VAL B 5 -5.277 -9.300 -1.620 1.00 0.55 H new ATOM 0 HG21 VAL B 5 -4.987 -12.093 -2.892 1.00 0.57 H new ATOM 0 HG22 VAL B 5 -5.133 -11.828 -1.139 1.00 0.57 H new ATOM 0 HG23 VAL B 5 -6.271 -12.913 -1.972 1.00 0.57 H new ATOM 1324 N LYS B 6 -8.798 -8.627 -0.573 1.00 0.57 N ATOM 1325 CA LYS B 6 -9.731 -7.531 -0.768 1.00 0.59 C ATOM 1326 C LYS B 6 -8.985 -6.243 -1.086 1.00 0.77 C ATOM 1327 O LYS B 6 -8.260 -5.706 -0.246 1.00 0.89 O ATOM 1328 CB LYS B 6 -10.600 -7.346 0.477 1.00 0.59 C ATOM 1329 CG LYS B 6 -11.694 -8.391 0.616 1.00 0.89 C ATOM 1330 CD LYS B 6 -12.544 -8.148 1.852 1.00 1.36 C ATOM 1331 CE LYS B 6 -13.706 -9.121 1.921 1.00 1.66 C ATOM 1332 NZ LYS B 6 -14.597 -8.846 3.080 1.00 2.10 N ATOM 0 H LYS B 6 -8.305 -8.608 0.320 1.00 0.57 H new ATOM 0 HA LYS B 6 -10.376 -7.774 -1.613 1.00 0.59 H new ATOM 0 HB2 LYS B 6 -9.964 -7.378 1.362 1.00 0.59 H new ATOM 0 HB3 LYS B 6 -11.056 -6.356 0.448 1.00 0.59 H new ATOM 0 HG2 LYS B 6 -12.327 -8.376 -0.271 1.00 0.89 H new ATOM 0 HG3 LYS B 6 -11.246 -9.383 0.671 1.00 0.89 H new ATOM 0 HD2 LYS B 6 -11.928 -8.250 2.745 1.00 1.36 H new ATOM 0 HD3 LYS B 6 -12.923 -7.126 1.841 1.00 1.36 H new ATOM 0 HE2 LYS B 6 -14.283 -9.062 0.998 1.00 1.66 H new ATOM 0 HE3 LYS B 6 -13.322 -10.139 1.992 1.00 1.66 H new ATOM 0 HZ1 LYS B 6 -15.377 -9.534 3.089 1.00 2.10 H new ATOM 0 HZ2 LYS B 6 -14.053 -8.928 3.963 1.00 2.10 H new ATOM 0 HZ3 LYS B 6 -14.984 -7.884 3.000 1.00 2.10 H new ATOM 1346 N THR B 7 -9.151 -5.752 -2.300 1.00 0.98 N ATOM 1347 CA THR B 7 -8.493 -4.529 -2.710 1.00 1.24 C ATOM 1348 C THR B 7 -9.271 -3.316 -2.204 1.00 1.28 C ATOM 1349 O THR B 7 -10.479 -3.401 -1.968 1.00 1.19 O ATOM 1350 CB THR B 7 -8.321 -4.457 -4.244 1.00 1.42 C ATOM 1351 OG1 THR B 7 -7.527 -3.321 -4.592 1.00 2.41 O ATOM 1352 CG2 THR B 7 -9.663 -4.371 -4.952 1.00 1.57 C ATOM 0 H THR B 7 -9.735 -6.182 -3.017 1.00 0.98 H new ATOM 0 HA THR B 7 -7.497 -4.525 -2.268 1.00 1.24 H new ATOM 0 HB THR B 7 -7.823 -5.371 -4.566 1.00 1.42 H new ATOM 0 HG1 THR B 7 -6.860 -3.161 -3.892 1.00 2.41 H new ATOM 0 HG21 THR B 7 -9.504 -4.322 -6.029 1.00 1.57 H new ATOM 0 HG22 THR B 7 -10.258 -5.253 -4.713 1.00 1.57 H new ATOM 0 HG23 THR B 7 -10.192 -3.477 -4.622 1.00 1.57 H new ATOM 1360 N LEU B 8 -8.577 -2.194 -2.033 1.00 1.48 N ATOM 1361 CA LEU B 8 -9.198 -0.960 -1.546 1.00 1.61 C ATOM 1362 C LEU B 8 -10.223 -0.431 -2.541 1.00 1.52 C ATOM 1363 O LEU B 8 -11.072 0.392 -2.198 1.00 1.55 O ATOM 1364 CB LEU B 8 -8.132 0.107 -1.277 1.00 1.99 C ATOM 1365 CG LEU B 8 -7.674 0.236 0.180 1.00 2.60 C ATOM 1366 CD1 LEU B 8 -8.812 0.730 1.059 1.00 2.87 C ATOM 1367 CD2 LEU B 8 -7.131 -1.089 0.698 1.00 3.45 C ATOM 0 H LEU B 8 -7.579 -2.111 -2.225 1.00 1.48 H new ATOM 0 HA LEU B 8 -9.712 -1.192 -0.613 1.00 1.61 H new ATOM 0 HB2 LEU B 8 -7.261 -0.112 -1.894 1.00 1.99 H new ATOM 0 HB3 LEU B 8 -8.520 1.072 -1.604 1.00 1.99 H new ATOM 0 HG LEU B 8 -6.869 0.970 0.218 1.00 2.60 H new ATOM 0 HD11 LEU B 8 -8.466 0.815 2.089 1.00 2.87 H new ATOM 0 HD12 LEU B 8 -9.146 1.706 0.707 1.00 2.87 H new ATOM 0 HD13 LEU B 8 -9.641 0.024 1.012 1.00 2.87 H new ATOM 0 HD21 LEU B 8 -6.812 -0.972 1.734 1.00 3.45 H new ATOM 0 HD22 LEU B 8 -7.911 -1.849 0.642 1.00 3.45 H new ATOM 0 HD23 LEU B 8 -6.281 -1.396 0.090 1.00 3.45 H new ATOM 1379 N THR B 9 -10.131 -0.898 -3.778 1.00 1.49 N ATOM 1380 CA THR B 9 -11.056 -0.491 -4.816 1.00 1.52 C ATOM 1381 C THR B 9 -12.440 -1.097 -4.566 1.00 1.33 C ATOM 1382 O THR B 9 -13.459 -0.539 -4.978 1.00 1.63 O ATOM 1383 CB THR B 9 -10.533 -0.914 -6.199 1.00 1.73 C ATOM 1384 OG1 THR B 9 -9.157 -1.302 -6.091 1.00 1.99 O ATOM 1385 CG2 THR B 9 -10.661 0.221 -7.202 1.00 1.90 C ATOM 0 H THR B 9 -9.420 -1.562 -4.084 1.00 1.49 H new ATOM 0 HA THR B 9 -11.141 0.595 -4.794 1.00 1.52 H new ATOM 0 HB THR B 9 -11.132 -1.754 -6.551 1.00 1.73 H new ATOM 0 HG1 THR B 9 -8.824 -1.573 -6.972 1.00 1.99 H new ATOM 0 HG21 THR B 9 -10.284 -0.106 -8.171 1.00 1.90 H new ATOM 0 HG22 THR B 9 -11.709 0.506 -7.298 1.00 1.90 H new ATOM 0 HG23 THR B 9 -10.082 1.078 -6.858 1.00 1.90 H new ATOM 1393 N GLY B 10 -12.474 -2.237 -3.876 1.00 0.95 N ATOM 1394 CA GLY B 10 -13.737 -2.883 -3.569 1.00 0.85 C ATOM 1395 C GLY B 10 -13.789 -4.335 -4.002 1.00 0.94 C ATOM 1396 O GLY B 10 -14.371 -5.172 -3.311 1.00 1.62 O ATOM 0 H GLY B 10 -11.649 -2.723 -3.525 1.00 0.95 H new ATOM 0 HA2 GLY B 10 -13.915 -2.825 -2.495 1.00 0.85 H new ATOM 0 HA3 GLY B 10 -14.544 -2.337 -4.056 1.00 0.85 H new ATOM 1400 N LYS B 11 -13.185 -4.629 -5.145 1.00 0.95 N ATOM 1401 CA LYS B 11 -13.168 -5.984 -5.695 1.00 0.97 C ATOM 1402 C LYS B 11 -12.508 -6.984 -4.740 1.00 0.86 C ATOM 1403 O LYS B 11 -11.558 -6.654 -4.027 1.00 0.85 O ATOM 1404 CB LYS B 11 -12.439 -5.986 -7.046 1.00 1.16 C ATOM 1405 CG LYS B 11 -12.352 -7.355 -7.713 1.00 1.35 C ATOM 1406 CD LYS B 11 -13.727 -7.904 -8.062 1.00 1.35 C ATOM 1407 CE LYS B 11 -13.644 -9.071 -9.040 1.00 1.46 C ATOM 1408 NZ LYS B 11 -12.735 -10.153 -8.568 1.00 1.62 N ATOM 0 H LYS B 11 -12.695 -3.942 -5.717 1.00 0.95 H new ATOM 0 HA LYS B 11 -14.202 -6.299 -5.833 1.00 0.97 H new ATOM 0 HB2 LYS B 11 -12.948 -5.298 -7.721 1.00 1.16 H new ATOM 0 HB3 LYS B 11 -11.430 -5.601 -6.901 1.00 1.16 H new ATOM 0 HG2 LYS B 11 -11.750 -7.280 -8.619 1.00 1.35 H new ATOM 0 HG3 LYS B 11 -11.841 -8.051 -7.048 1.00 1.35 H new ATOM 0 HD2 LYS B 11 -14.230 -8.229 -7.151 1.00 1.35 H new ATOM 0 HD3 LYS B 11 -14.335 -7.110 -8.495 1.00 1.35 H new ATOM 0 HE2 LYS B 11 -14.642 -9.482 -9.195 1.00 1.46 H new ATOM 0 HE3 LYS B 11 -13.296 -8.706 -10.006 1.00 1.46 H new ATOM 0 HZ1 LYS B 11 -11.874 -10.162 -9.152 1.00 1.62 H new ATOM 0 HZ2 LYS B 11 -12.478 -9.982 -7.575 1.00 1.62 H new ATOM 0 HZ3 LYS B 11 -13.217 -11.071 -8.648 1.00 1.62 H new ATOM 1422 N THR B 12 -13.026 -8.208 -4.737 1.00 0.80 N ATOM 1423 CA THR B 12 -12.496 -9.272 -3.903 1.00 0.72 C ATOM 1424 C THR B 12 -11.888 -10.353 -4.795 1.00 0.71 C ATOM 1425 O THR B 12 -12.434 -10.663 -5.858 1.00 0.85 O ATOM 1426 CB THR B 12 -13.597 -9.889 -3.017 1.00 0.76 C ATOM 1427 OG1 THR B 12 -14.387 -8.847 -2.431 1.00 0.93 O ATOM 1428 CG2 THR B 12 -12.995 -10.751 -1.915 1.00 0.69 C ATOM 0 H THR B 12 -13.822 -8.486 -5.311 1.00 0.80 H new ATOM 0 HA THR B 12 -11.732 -8.852 -3.249 1.00 0.72 H new ATOM 0 HB THR B 12 -14.225 -10.521 -3.645 1.00 0.76 H new ATOM 0 HG1 THR B 12 -15.086 -9.243 -1.870 1.00 0.93 H new ATOM 0 HG21 THR B 12 -13.794 -11.173 -1.306 1.00 0.69 H new ATOM 0 HG22 THR B 12 -12.414 -11.558 -2.361 1.00 0.69 H new ATOM 0 HG23 THR B 12 -12.346 -10.139 -1.288 1.00 0.69 H new ATOM 1436 N ILE B 13 -10.748 -10.889 -4.390 1.00 0.60 N ATOM 1437 CA ILE B 13 -10.076 -11.925 -5.161 1.00 0.59 C ATOM 1438 C ILE B 13 -9.830 -13.163 -4.304 1.00 0.56 C ATOM 1439 O ILE B 13 -9.339 -13.061 -3.179 1.00 0.55 O ATOM 1440 CB ILE B 13 -8.726 -11.423 -5.722 1.00 0.60 C ATOM 1441 CG1 ILE B 13 -8.854 -9.986 -6.231 1.00 0.65 C ATOM 1442 CG2 ILE B 13 -8.244 -12.337 -6.839 1.00 0.65 C ATOM 1443 CD1 ILE B 13 -7.537 -9.243 -6.292 1.00 0.70 C ATOM 0 H ILE B 13 -10.267 -10.624 -3.530 1.00 0.60 H new ATOM 0 HA ILE B 13 -10.731 -12.182 -5.994 1.00 0.59 H new ATOM 0 HB ILE B 13 -7.993 -11.439 -4.916 1.00 0.60 H new ATOM 0 HG12 ILE B 13 -9.299 -10.001 -7.226 1.00 0.65 H new ATOM 0 HG13 ILE B 13 -9.539 -9.440 -5.583 1.00 0.65 H new ATOM 0 HG21 ILE B 13 -7.292 -11.970 -7.224 1.00 0.65 H new ATOM 0 HG22 ILE B 13 -8.114 -13.347 -6.452 1.00 0.65 H new ATOM 0 HG23 ILE B 13 -8.980 -12.349 -7.643 1.00 0.65 H new ATOM 0 HD11 ILE B 13 -7.707 -8.232 -6.662 1.00 0.70 H new ATOM 0 HD12 ILE B 13 -7.099 -9.196 -5.295 1.00 0.70 H new ATOM 0 HD13 ILE B 13 -6.855 -9.765 -6.963 1.00 0.70 H new ATOM 1455 N THR B 14 -10.192 -14.320 -4.831 1.00 0.57 N ATOM 1456 CA THR B 14 -9.996 -15.579 -4.135 1.00 0.57 C ATOM 1457 C THR B 14 -9.106 -16.497 -4.961 1.00 0.55 C ATOM 1458 O THR B 14 -9.409 -16.780 -6.121 1.00 0.64 O ATOM 1459 CB THR B 14 -11.344 -16.270 -3.862 1.00 0.69 C ATOM 1460 OG1 THR B 14 -12.315 -15.830 -4.821 1.00 0.92 O ATOM 1461 CG2 THR B 14 -11.838 -15.963 -2.459 1.00 1.13 C ATOM 0 H THR B 14 -10.628 -14.413 -5.749 1.00 0.57 H new ATOM 0 HA THR B 14 -9.514 -15.370 -3.180 1.00 0.57 H new ATOM 0 HB THR B 14 -11.202 -17.347 -3.949 1.00 0.69 H new ATOM 0 HG1 THR B 14 -13.172 -16.273 -4.646 1.00 0.92 H new ATOM 0 HG21 THR B 14 -12.792 -16.463 -2.292 1.00 1.13 H new ATOM 0 HG22 THR B 14 -11.109 -16.319 -1.731 1.00 1.13 H new ATOM 0 HG23 THR B 14 -11.968 -14.887 -2.346 1.00 1.13 H new ATOM 1469 N LEU B 15 -8.004 -16.945 -4.374 1.00 0.50 N ATOM 1470 CA LEU B 15 -7.067 -17.814 -5.079 1.00 0.54 C ATOM 1471 C LEU B 15 -6.548 -18.921 -4.171 1.00 0.53 C ATOM 1472 O LEU B 15 -6.541 -18.781 -2.943 1.00 0.54 O ATOM 1473 CB LEU B 15 -5.879 -17.002 -5.603 1.00 0.60 C ATOM 1474 CG LEU B 15 -6.237 -15.811 -6.491 1.00 0.78 C ATOM 1475 CD1 LEU B 15 -5.184 -14.728 -6.363 1.00 1.42 C ATOM 1476 CD2 LEU B 15 -6.384 -16.246 -7.942 1.00 0.72 C ATOM 0 H LEU B 15 -7.736 -16.723 -3.415 1.00 0.50 H new ATOM 0 HA LEU B 15 -7.604 -18.265 -5.913 1.00 0.54 H new ATOM 0 HB2 LEU B 15 -5.306 -16.638 -4.750 1.00 0.60 H new ATOM 0 HB3 LEU B 15 -5.225 -17.669 -6.165 1.00 0.60 H new ATOM 0 HG LEU B 15 -7.194 -15.408 -6.160 1.00 0.78 H new ATOM 0 HD11 LEU B 15 -5.450 -13.885 -7.000 1.00 1.42 H new ATOM 0 HD12 LEU B 15 -5.128 -14.396 -5.326 1.00 1.42 H new ATOM 0 HD13 LEU B 15 -4.216 -15.124 -6.670 1.00 1.42 H new ATOM 0 HD21 LEU B 15 -6.639 -15.383 -8.557 1.00 0.72 H new ATOM 0 HD22 LEU B 15 -5.444 -16.675 -8.290 1.00 0.72 H new ATOM 0 HD23 LEU B 15 -7.174 -16.993 -8.020 1.00 0.72 H new ATOM 1488 N GLU B 16 -6.115 -20.014 -4.787 1.00 0.55 N ATOM 1489 CA GLU B 16 -5.562 -21.148 -4.062 1.00 0.55 C ATOM 1490 C GLU B 16 -4.048 -21.004 -3.967 1.00 0.53 C ATOM 1491 O GLU B 16 -3.338 -21.117 -4.964 1.00 0.54 O ATOM 1492 CB GLU B 16 -5.924 -22.463 -4.757 1.00 0.62 C ATOM 1493 CG GLU B 16 -7.143 -23.152 -4.164 1.00 1.06 C ATOM 1494 CD GLU B 16 -6.856 -23.814 -2.829 1.00 1.22 C ATOM 1495 OE1 GLU B 16 -5.709 -24.259 -2.608 1.00 1.68 O ATOM 1496 OE2 GLU B 16 -7.783 -23.909 -1.996 1.00 1.71 O ATOM 0 H GLU B 16 -6.138 -20.138 -5.799 1.00 0.55 H new ATOM 0 HA GLU B 16 -5.987 -21.165 -3.058 1.00 0.55 H new ATOM 0 HB2 GLU B 16 -6.106 -22.267 -5.814 1.00 0.62 H new ATOM 0 HB3 GLU B 16 -5.072 -23.140 -4.701 1.00 0.62 H new ATOM 0 HG2 GLU B 16 -7.941 -22.421 -4.037 1.00 1.06 H new ATOM 0 HG3 GLU B 16 -7.507 -23.903 -4.865 1.00 1.06 H new ATOM 1503 N VAL B 17 -3.571 -20.744 -2.768 1.00 0.54 N ATOM 1504 CA VAL B 17 -2.147 -20.564 -2.532 1.00 0.54 C ATOM 1505 C VAL B 17 -1.609 -21.637 -1.599 1.00 0.56 C ATOM 1506 O VAL B 17 -2.341 -22.171 -0.761 1.00 0.57 O ATOM 1507 CB VAL B 17 -1.844 -19.178 -1.925 1.00 0.57 C ATOM 1508 CG1 VAL B 17 -2.074 -18.077 -2.949 1.00 0.62 C ATOM 1509 CG2 VAL B 17 -2.692 -18.940 -0.686 1.00 0.58 C ATOM 0 H VAL B 17 -4.150 -20.651 -1.934 1.00 0.54 H new ATOM 0 HA VAL B 17 -1.655 -20.643 -3.501 1.00 0.54 H new ATOM 0 HB VAL B 17 -0.794 -19.157 -1.633 1.00 0.57 H new ATOM 0 HG11 VAL B 17 -1.854 -17.109 -2.498 1.00 0.62 H new ATOM 0 HG12 VAL B 17 -1.420 -18.235 -3.806 1.00 0.62 H new ATOM 0 HG13 VAL B 17 -3.113 -18.097 -3.277 1.00 0.62 H new ATOM 0 HG21 VAL B 17 -2.464 -17.958 -0.272 1.00 0.58 H new ATOM 0 HG22 VAL B 17 -3.748 -18.985 -0.953 1.00 0.58 H new ATOM 0 HG23 VAL B 17 -2.473 -19.706 0.057 1.00 0.58 H new ATOM 1519 N GLU B 18 -0.339 -21.972 -1.762 1.00 0.59 N ATOM 1520 CA GLU B 18 0.299 -22.967 -0.921 1.00 0.65 C ATOM 1521 C GLU B 18 0.918 -22.286 0.294 1.00 0.68 C ATOM 1522 O GLU B 18 1.255 -21.106 0.236 1.00 0.70 O ATOM 1523 CB GLU B 18 1.377 -23.710 -1.713 1.00 0.73 C ATOM 1524 CG GLU B 18 0.895 -24.229 -3.058 1.00 1.05 C ATOM 1525 CD GLU B 18 1.961 -25.020 -3.783 1.00 1.91 C ATOM 1526 OE1 GLU B 18 2.976 -24.421 -4.189 1.00 2.71 O ATOM 1527 OE2 GLU B 18 1.793 -26.245 -3.947 1.00 2.32 O ATOM 0 H GLU B 18 0.271 -21.567 -2.472 1.00 0.59 H new ATOM 0 HA GLU B 18 -0.448 -23.687 -0.587 1.00 0.65 H new ATOM 0 HB2 GLU B 18 2.224 -23.042 -1.873 1.00 0.73 H new ATOM 0 HB3 GLU B 18 1.740 -24.548 -1.118 1.00 0.73 H new ATOM 0 HG2 GLU B 18 0.017 -24.858 -2.909 1.00 1.05 H new ATOM 0 HG3 GLU B 18 0.584 -23.389 -3.679 1.00 1.05 H new ATOM 1534 N PRO B 19 1.069 -23.011 1.413 1.00 0.79 N ATOM 1535 CA PRO B 19 1.655 -22.456 2.638 1.00 0.90 C ATOM 1536 C PRO B 19 3.051 -21.877 2.414 1.00 0.88 C ATOM 1537 O PRO B 19 3.390 -20.827 2.958 1.00 0.99 O ATOM 1538 CB PRO B 19 1.726 -23.664 3.579 1.00 1.03 C ATOM 1539 CG PRO B 19 0.690 -24.604 3.074 1.00 1.09 C ATOM 1540 CD PRO B 19 0.663 -24.420 1.584 1.00 0.88 C ATOM 0 HA PRO B 19 1.064 -21.626 3.026 1.00 0.90 H new ATOM 0 HB2 PRO B 19 2.716 -24.120 3.562 1.00 1.03 H new ATOM 0 HB3 PRO B 19 1.527 -23.374 4.611 1.00 1.03 H new ATOM 0 HG2 PRO B 19 0.934 -25.633 3.337 1.00 1.09 H new ATOM 0 HG3 PRO B 19 -0.284 -24.386 3.513 1.00 1.09 H new ATOM 0 HD2 PRO B 19 1.350 -25.101 1.081 1.00 0.88 H new ATOM 0 HD3 PRO B 19 -0.329 -24.606 1.173 1.00 0.88 H new ATOM 1548 N SER B 20 3.841 -22.550 1.590 1.00 0.82 N ATOM 1549 CA SER B 20 5.205 -22.121 1.306 1.00 0.88 C ATOM 1550 C SER B 20 5.296 -21.263 0.041 1.00 0.86 C ATOM 1551 O SER B 20 6.378 -21.104 -0.524 1.00 0.90 O ATOM 1552 CB SER B 20 6.097 -23.355 1.160 1.00 0.92 C ATOM 1553 OG SER B 20 5.379 -24.536 1.490 1.00 0.87 O ATOM 0 H SER B 20 3.559 -23.401 1.103 1.00 0.82 H new ATOM 0 HA SER B 20 5.541 -21.502 2.138 1.00 0.88 H new ATOM 0 HB2 SER B 20 6.468 -23.423 0.137 1.00 0.92 H new ATOM 0 HB3 SER B 20 6.967 -23.259 1.809 1.00 0.92 H new ATOM 0 HG SER B 20 5.966 -25.314 1.389 1.00 0.87 H new ATOM 1559 N ASP B 21 4.172 -20.716 -0.410 1.00 0.81 N ATOM 1560 CA ASP B 21 4.166 -19.883 -1.611 1.00 0.80 C ATOM 1561 C ASP B 21 4.829 -18.534 -1.342 1.00 0.82 C ATOM 1562 O ASP B 21 5.017 -18.141 -0.186 1.00 0.83 O ATOM 1563 CB ASP B 21 2.733 -19.674 -2.108 1.00 0.75 C ATOM 1564 CG ASP B 21 2.646 -19.588 -3.619 1.00 0.91 C ATOM 1565 OD1 ASP B 21 3.706 -19.586 -4.284 1.00 1.10 O ATOM 1566 OD2 ASP B 21 1.519 -19.539 -4.154 1.00 1.08 O ATOM 0 H ASP B 21 3.260 -20.832 0.032 1.00 0.81 H new ATOM 0 HA ASP B 21 4.737 -20.399 -2.383 1.00 0.80 H new ATOM 0 HB2 ASP B 21 2.108 -20.495 -1.758 1.00 0.75 H new ATOM 0 HB3 ASP B 21 2.331 -18.759 -1.672 1.00 0.75 H new ATOM 1571 N THR B 22 5.164 -17.819 -2.405 1.00 0.85 N ATOM 1572 CA THR B 22 5.811 -16.523 -2.281 1.00 0.89 C ATOM 1573 C THR B 22 4.820 -15.400 -2.556 1.00 0.79 C ATOM 1574 O THR B 22 3.833 -15.596 -3.269 1.00 0.73 O ATOM 1575 CB THR B 22 7.005 -16.396 -3.250 1.00 1.01 C ATOM 1576 OG1 THR B 22 6.668 -16.949 -4.529 1.00 1.11 O ATOM 1577 CG2 THR B 22 8.234 -17.102 -2.695 1.00 1.20 C ATOM 0 H THR B 22 4.998 -18.116 -3.366 1.00 0.85 H new ATOM 0 HA THR B 22 6.179 -16.441 -1.258 1.00 0.89 H new ATOM 0 HB THR B 22 7.234 -15.336 -3.364 1.00 1.01 H new ATOM 0 HG1 THR B 22 7.171 -16.484 -5.229 1.00 1.11 H new ATOM 0 HG21 THR B 22 9.061 -16.998 -3.397 1.00 1.20 H new ATOM 0 HG22 THR B 22 8.510 -16.655 -1.740 1.00 1.20 H new ATOM 0 HG23 THR B 22 8.012 -18.159 -2.550 1.00 1.20 H new ATOM 1585 N ILE B 23 5.086 -14.228 -1.993 1.00 0.80 N ATOM 1586 CA ILE B 23 4.219 -13.070 -2.182 1.00 0.73 C ATOM 1587 C ILE B 23 4.157 -12.683 -3.662 1.00 0.72 C ATOM 1588 O ILE B 23 3.116 -12.254 -4.163 1.00 0.66 O ATOM 1589 CB ILE B 23 4.707 -11.868 -1.339 1.00 0.78 C ATOM 1590 CG1 ILE B 23 4.678 -12.214 0.156 1.00 0.87 C ATOM 1591 CG2 ILE B 23 3.870 -10.625 -1.617 1.00 0.70 C ATOM 1592 CD1 ILE B 23 3.312 -12.626 0.669 1.00 0.80 C ATOM 0 H ILE B 23 5.897 -14.053 -1.400 1.00 0.80 H new ATOM 0 HA ILE B 23 3.218 -13.342 -1.846 1.00 0.73 H new ATOM 0 HB ILE B 23 5.736 -11.650 -1.626 1.00 0.78 H new ATOM 0 HG12 ILE B 23 5.384 -13.022 0.345 1.00 0.87 H new ATOM 0 HG13 ILE B 23 5.023 -11.350 0.725 1.00 0.87 H new ATOM 0 HG21 ILE B 23 4.236 -9.797 -1.010 1.00 0.70 H new ATOM 0 HG22 ILE B 23 3.946 -10.363 -2.672 1.00 0.70 H new ATOM 0 HG23 ILE B 23 2.828 -10.825 -1.367 1.00 0.70 H new ATOM 0 HD11 ILE B 23 3.376 -12.854 1.733 1.00 0.80 H new ATOM 0 HD12 ILE B 23 2.604 -11.811 0.515 1.00 0.80 H new ATOM 0 HD13 ILE B 23 2.972 -13.509 0.129 1.00 0.80 H new ATOM 1604 N GLU B 24 5.271 -12.873 -4.362 1.00 0.80 N ATOM 1605 CA GLU B 24 5.353 -12.554 -5.781 1.00 0.84 C ATOM 1606 C GLU B 24 4.434 -13.471 -6.589 1.00 0.80 C ATOM 1607 O GLU B 24 3.806 -13.041 -7.558 1.00 0.80 O ATOM 1608 CB GLU B 24 6.812 -12.668 -6.269 1.00 0.98 C ATOM 1609 CG GLU B 24 7.047 -13.742 -7.325 1.00 1.20 C ATOM 1610 CD GLU B 24 8.263 -14.594 -7.033 1.00 2.26 C ATOM 1611 OE1 GLU B 24 8.162 -15.519 -6.195 1.00 3.05 O ATOM 1612 OE2 GLU B 24 9.324 -14.350 -7.643 1.00 2.73 O ATOM 0 H GLU B 24 6.133 -13.248 -3.966 1.00 0.80 H new ATOM 0 HA GLU B 24 5.021 -11.527 -5.930 1.00 0.84 H new ATOM 0 HB2 GLU B 24 7.122 -11.705 -6.674 1.00 0.98 H new ATOM 0 HB3 GLU B 24 7.453 -12.874 -5.412 1.00 0.98 H new ATOM 0 HG2 GLU B 24 6.167 -14.382 -7.388 1.00 1.20 H new ATOM 0 HG3 GLU B 24 7.167 -13.268 -8.299 1.00 1.20 H new ATOM 1619 N ASN B 25 4.331 -14.727 -6.164 1.00 0.80 N ATOM 1620 CA ASN B 25 3.503 -15.700 -6.863 1.00 0.79 C ATOM 1621 C ASN B 25 2.023 -15.406 -6.653 1.00 0.71 C ATOM 1622 O ASN B 25 1.189 -15.760 -7.486 1.00 0.72 O ATOM 1623 CB ASN B 25 3.835 -17.118 -6.409 1.00 0.80 C ATOM 1624 CG ASN B 25 3.424 -18.165 -7.428 1.00 0.84 C ATOM 1625 OD1 ASN B 25 3.351 -17.892 -8.629 1.00 1.06 O ATOM 1626 ND2 ASN B 25 3.156 -19.370 -6.958 1.00 1.12 N ATOM 0 H ASN B 25 4.810 -15.093 -5.341 1.00 0.80 H new ATOM 0 HA ASN B 25 3.719 -15.620 -7.928 1.00 0.79 H new ATOM 0 HB2 ASN B 25 4.907 -17.196 -6.225 1.00 0.80 H new ATOM 0 HB3 ASN B 25 3.333 -17.320 -5.463 1.00 0.80 H new ATOM 0 HD21 ASN B 25 2.877 -20.116 -7.596 1.00 1.12 H new ATOM 0 HD22 ASN B 25 3.228 -19.555 -5.958 1.00 1.12 H new ATOM 1633 N VAL B 26 1.700 -14.761 -5.538 1.00 0.67 N ATOM 1634 CA VAL B 26 0.320 -14.398 -5.250 1.00 0.60 C ATOM 1635 C VAL B 26 -0.150 -13.392 -6.289 1.00 0.58 C ATOM 1636 O VAL B 26 -1.266 -13.480 -6.804 1.00 0.58 O ATOM 1637 CB VAL B 26 0.159 -13.799 -3.833 1.00 0.58 C ATOM 1638 CG1 VAL B 26 -1.299 -13.454 -3.552 1.00 0.53 C ATOM 1639 CG2 VAL B 26 0.687 -14.762 -2.781 1.00 0.62 C ATOM 0 H VAL B 26 2.371 -14.481 -4.823 1.00 0.67 H new ATOM 0 HA VAL B 26 -0.286 -15.303 -5.290 1.00 0.60 H new ATOM 0 HB VAL B 26 0.744 -12.880 -3.787 1.00 0.58 H new ATOM 0 HG11 VAL B 26 -1.387 -13.034 -2.550 1.00 0.53 H new ATOM 0 HG12 VAL B 26 -1.648 -12.724 -4.283 1.00 0.53 H new ATOM 0 HG13 VAL B 26 -1.906 -14.356 -3.622 1.00 0.53 H new ATOM 0 HG21 VAL B 26 0.565 -14.322 -1.791 1.00 0.62 H new ATOM 0 HG22 VAL B 26 0.131 -15.698 -2.833 1.00 0.62 H new ATOM 0 HG23 VAL B 26 1.744 -14.957 -2.964 1.00 0.62 H new ATOM 1649 N LYS B 27 0.738 -12.460 -6.620 1.00 0.60 N ATOM 1650 CA LYS B 27 0.449 -11.438 -7.615 1.00 0.60 C ATOM 1651 C LYS B 27 0.326 -12.073 -8.990 1.00 0.62 C ATOM 1652 O LYS B 27 -0.474 -11.640 -9.822 1.00 0.61 O ATOM 1653 CB LYS B 27 1.554 -10.385 -7.632 1.00 0.64 C ATOM 1654 CG LYS B 27 1.741 -9.676 -6.304 1.00 0.59 C ATOM 1655 CD LYS B 27 2.857 -8.655 -6.382 1.00 0.66 C ATOM 1656 CE LYS B 27 3.058 -7.940 -5.060 1.00 0.96 C ATOM 1657 NZ LYS B 27 4.181 -6.973 -5.128 1.00 0.99 N ATOM 0 H LYS B 27 1.669 -12.393 -6.209 1.00 0.60 H new ATOM 0 HA LYS B 27 -0.493 -10.956 -7.355 1.00 0.60 H new ATOM 0 HB2 LYS B 27 2.493 -10.861 -7.915 1.00 0.64 H new ATOM 0 HB3 LYS B 27 1.327 -9.645 -8.400 1.00 0.64 H new ATOM 0 HG2 LYS B 27 0.812 -9.183 -6.018 1.00 0.59 H new ATOM 0 HG3 LYS B 27 1.966 -10.407 -5.527 1.00 0.59 H new ATOM 0 HD2 LYS B 27 3.784 -9.150 -6.672 1.00 0.66 H new ATOM 0 HD3 LYS B 27 2.629 -7.925 -7.159 1.00 0.66 H new ATOM 0 HE2 LYS B 27 2.142 -7.416 -4.786 1.00 0.96 H new ATOM 0 HE3 LYS B 27 3.254 -8.672 -4.276 1.00 0.96 H new ATOM 0 HZ1 LYS B 27 4.600 -6.861 -4.183 1.00 0.99 H new ATOM 0 HZ2 LYS B 27 4.904 -7.326 -5.787 1.00 0.99 H new ATOM 0 HZ3 LYS B 27 3.828 -6.053 -5.462 1.00 0.99 H new ATOM 1671 N ALA B 28 1.119 -13.116 -9.210 1.00 0.67 N ATOM 1672 CA ALA B 28 1.103 -13.841 -10.469 1.00 0.73 C ATOM 1673 C ALA B 28 -0.256 -14.493 -10.670 1.00 0.71 C ATOM 1674 O ALA B 28 -0.781 -14.541 -11.782 1.00 0.74 O ATOM 1675 CB ALA B 28 2.206 -14.888 -10.494 1.00 0.81 C ATOM 0 H ALA B 28 1.784 -13.478 -8.526 1.00 0.67 H new ATOM 0 HA ALA B 28 1.282 -13.139 -11.284 1.00 0.73 H new ATOM 0 HB1 ALA B 28 2.180 -15.422 -11.444 1.00 0.81 H new ATOM 0 HB2 ALA B 28 3.174 -14.400 -10.379 1.00 0.81 H new ATOM 0 HB3 ALA B 28 2.056 -15.594 -9.677 1.00 0.81 H new ATOM 1681 N LYS B 29 -0.824 -14.979 -9.574 1.00 0.68 N ATOM 1682 CA LYS B 29 -2.132 -15.612 -9.604 1.00 0.70 C ATOM 1683 C LYS B 29 -3.204 -14.566 -9.887 1.00 0.70 C ATOM 1684 O LYS B 29 -4.091 -14.777 -10.715 1.00 0.76 O ATOM 1685 CB LYS B 29 -2.414 -16.308 -8.273 1.00 0.69 C ATOM 1686 CG LYS B 29 -1.506 -17.496 -7.992 1.00 0.74 C ATOM 1687 CD LYS B 29 -1.721 -18.028 -6.585 1.00 0.77 C ATOM 1688 CE LYS B 29 -1.308 -19.484 -6.462 1.00 0.84 C ATOM 1689 NZ LYS B 29 0.164 -19.649 -6.377 1.00 1.26 N ATOM 0 H LYS B 29 -0.395 -14.945 -8.649 1.00 0.68 H new ATOM 0 HA LYS B 29 -2.146 -16.360 -10.397 1.00 0.70 H new ATOM 0 HB2 LYS B 29 -2.307 -15.583 -7.466 1.00 0.69 H new ATOM 0 HB3 LYS B 29 -3.450 -16.646 -8.263 1.00 0.69 H new ATOM 0 HG2 LYS B 29 -1.701 -18.286 -8.717 1.00 0.74 H new ATOM 0 HG3 LYS B 29 -0.465 -17.199 -8.117 1.00 0.74 H new ATOM 0 HD2 LYS B 29 -1.149 -17.427 -5.878 1.00 0.77 H new ATOM 0 HD3 LYS B 29 -2.772 -17.924 -6.314 1.00 0.77 H new ATOM 0 HE2 LYS B 29 -1.771 -19.917 -5.575 1.00 0.84 H new ATOM 0 HE3 LYS B 29 -1.684 -20.039 -7.321 1.00 0.84 H new ATOM 0 HZ1 LYS B 29 0.414 -20.641 -6.566 1.00 1.26 H new ATOM 0 HZ2 LYS B 29 0.623 -19.036 -7.081 1.00 1.26 H new ATOM 0 HZ3 LYS B 29 0.488 -19.386 -5.425 1.00 1.26 H new ATOM 1703 N ILE B 30 -3.117 -13.435 -9.190 1.00 0.65 N ATOM 1704 CA ILE B 30 -4.057 -12.338 -9.380 1.00 0.67 C ATOM 1705 C ILE B 30 -4.035 -11.857 -10.831 1.00 0.70 C ATOM 1706 O ILE B 30 -5.062 -11.467 -11.379 1.00 0.72 O ATOM 1707 CB ILE B 30 -3.743 -11.158 -8.430 1.00 0.63 C ATOM 1708 CG1 ILE B 30 -3.913 -11.597 -6.970 1.00 0.69 C ATOM 1709 CG2 ILE B 30 -4.635 -9.960 -8.737 1.00 0.67 C ATOM 1710 CD1 ILE B 30 -3.485 -10.555 -5.958 1.00 0.67 C ATOM 0 H ILE B 30 -2.401 -13.256 -8.486 1.00 0.65 H new ATOM 0 HA ILE B 30 -5.053 -12.713 -9.144 1.00 0.67 H new ATOM 0 HB ILE B 30 -2.708 -10.855 -8.587 1.00 0.63 H new ATOM 0 HG12 ILE B 30 -4.959 -11.848 -6.797 1.00 0.69 H new ATOM 0 HG13 ILE B 30 -3.335 -12.507 -6.806 1.00 0.69 H new ATOM 0 HG21 ILE B 30 -4.395 -9.144 -8.056 1.00 0.67 H new ATOM 0 HG22 ILE B 30 -4.468 -9.636 -9.764 1.00 0.67 H new ATOM 0 HG23 ILE B 30 -5.680 -10.243 -8.611 1.00 0.67 H new ATOM 0 HD11 ILE B 30 -3.637 -10.942 -4.951 1.00 0.67 H new ATOM 0 HD12 ILE B 30 -2.430 -10.320 -6.102 1.00 0.67 H new ATOM 0 HD13 ILE B 30 -4.080 -9.651 -6.092 1.00 0.67 H new ATOM 1722 N GLN B 31 -2.873 -11.924 -11.464 1.00 0.74 N ATOM 1723 CA GLN B 31 -2.744 -11.499 -12.851 1.00 0.80 C ATOM 1724 C GLN B 31 -3.395 -12.520 -13.778 1.00 0.88 C ATOM 1725 O GLN B 31 -3.952 -12.170 -14.816 1.00 0.90 O ATOM 1726 CB GLN B 31 -1.278 -11.312 -13.232 1.00 0.83 C ATOM 1727 CG GLN B 31 -1.092 -10.729 -14.622 1.00 0.92 C ATOM 1728 CD GLN B 31 0.360 -10.496 -14.974 1.00 0.95 C ATOM 1729 OE1 GLN B 31 1.246 -11.231 -14.538 1.00 1.10 O ATOM 1730 NE2 GLN B 31 0.616 -9.469 -15.764 1.00 1.26 N ATOM 0 H GLN B 31 -2.010 -12.267 -11.042 1.00 0.74 H new ATOM 0 HA GLN B 31 -3.252 -10.541 -12.959 1.00 0.80 H new ATOM 0 HB2 GLN B 31 -0.800 -10.657 -12.503 1.00 0.83 H new ATOM 0 HB3 GLN B 31 -0.769 -12.274 -13.177 1.00 0.83 H new ATOM 0 HG2 GLN B 31 -1.534 -11.403 -15.355 1.00 0.92 H new ATOM 0 HG3 GLN B 31 -1.633 -9.785 -14.690 1.00 0.92 H new ATOM 0 HE21 GLN B 31 -0.148 -8.884 -16.104 1.00 1.26 H new ATOM 0 HE22 GLN B 31 1.577 -9.261 -16.034 1.00 1.26 H new ATOM 1739 N ASP B 32 -3.332 -13.783 -13.391 1.00 0.95 N ATOM 1740 CA ASP B 32 -3.913 -14.859 -14.186 1.00 1.04 C ATOM 1741 C ASP B 32 -5.438 -14.824 -14.115 1.00 1.07 C ATOM 1742 O ASP B 32 -6.124 -15.391 -14.965 1.00 1.20 O ATOM 1743 CB ASP B 32 -3.401 -16.222 -13.706 1.00 1.03 C ATOM 1744 CG ASP B 32 -2.067 -16.604 -14.318 1.00 1.52 C ATOM 1745 OD1 ASP B 32 -1.859 -16.336 -15.519 1.00 1.80 O ATOM 1746 OD2 ASP B 32 -1.223 -17.193 -13.608 1.00 2.04 O ATOM 0 H ASP B 32 -2.883 -14.092 -12.529 1.00 0.95 H new ATOM 0 HA ASP B 32 -3.608 -14.712 -15.222 1.00 1.04 H new ATOM 0 HB2 ASP B 32 -3.305 -16.206 -12.620 1.00 1.03 H new ATOM 0 HB3 ASP B 32 -4.138 -16.987 -13.949 1.00 1.03 H new ATOM 1751 N LYS B 33 -5.965 -14.155 -13.098 1.00 0.98 N ATOM 1752 CA LYS B 33 -7.407 -14.054 -12.918 1.00 1.04 C ATOM 1753 C LYS B 33 -7.910 -12.640 -13.217 1.00 1.03 C ATOM 1754 O LYS B 33 -8.601 -12.413 -14.209 1.00 1.08 O ATOM 1755 CB LYS B 33 -7.776 -14.453 -11.486 1.00 0.98 C ATOM 1756 CG LYS B 33 -9.210 -14.930 -11.324 1.00 1.28 C ATOM 1757 CD LYS B 33 -9.472 -15.421 -9.909 1.00 1.27 C ATOM 1758 CE LYS B 33 -10.769 -16.211 -9.818 1.00 1.92 C ATOM 1759 NZ LYS B 33 -10.960 -16.820 -8.472 1.00 2.27 N ATOM 0 H LYS B 33 -5.416 -13.674 -12.385 1.00 0.98 H new ATOM 0 HA LYS B 33 -7.887 -14.733 -13.622 1.00 1.04 H new ATOM 0 HB2 LYS B 33 -7.102 -15.243 -11.156 1.00 0.98 H new ATOM 0 HB3 LYS B 33 -7.612 -13.599 -10.829 1.00 0.98 H new ATOM 0 HG2 LYS B 33 -9.895 -14.116 -11.562 1.00 1.28 H new ATOM 0 HG3 LYS B 33 -9.411 -15.733 -12.033 1.00 1.28 H new ATOM 0 HD2 LYS B 33 -8.641 -16.046 -9.581 1.00 1.27 H new ATOM 0 HD3 LYS B 33 -9.517 -14.569 -9.231 1.00 1.27 H new ATOM 0 HE2 LYS B 33 -11.610 -15.554 -10.041 1.00 1.92 H new ATOM 0 HE3 LYS B 33 -10.769 -16.996 -10.574 1.00 1.92 H new ATOM 0 HZ1 LYS B 33 -11.022 -17.854 -8.564 1.00 2.27 H new ATOM 0 HZ2 LYS B 33 -10.154 -16.575 -7.863 1.00 2.27 H new ATOM 0 HZ3 LYS B 33 -11.837 -16.457 -8.048 1.00 2.27 H new ATOM 1773 N GLU B 34 -7.551 -11.701 -12.349 1.00 0.99 N ATOM 1774 CA GLU B 34 -7.964 -10.301 -12.481 1.00 0.98 C ATOM 1775 C GLU B 34 -7.237 -9.585 -13.618 1.00 0.99 C ATOM 1776 O GLU B 34 -7.671 -8.524 -14.065 1.00 0.99 O ATOM 1777 CB GLU B 34 -7.702 -9.556 -11.172 1.00 0.91 C ATOM 1778 CG GLU B 34 -8.389 -10.168 -9.965 1.00 0.92 C ATOM 1779 CD GLU B 34 -9.883 -9.939 -9.970 1.00 1.10 C ATOM 1780 OE1 GLU B 34 -10.312 -8.793 -9.735 1.00 1.30 O ATOM 1781 OE2 GLU B 34 -10.638 -10.902 -10.202 1.00 1.20 O ATOM 0 H GLU B 34 -6.966 -11.884 -11.534 1.00 0.99 H new ATOM 0 HA GLU B 34 -9.029 -10.302 -12.713 1.00 0.98 H new ATOM 0 HB2 GLU B 34 -6.628 -9.528 -10.990 1.00 0.91 H new ATOM 0 HB3 GLU B 34 -8.033 -8.523 -11.281 1.00 0.91 H new ATOM 0 HG2 GLU B 34 -8.189 -11.239 -9.942 1.00 0.92 H new ATOM 0 HG3 GLU B 34 -7.963 -9.745 -9.055 1.00 0.92 H new ATOM 1788 N GLY B 35 -6.131 -10.158 -14.079 1.00 1.00 N ATOM 1789 CA GLY B 35 -5.368 -9.545 -15.159 1.00 1.02 C ATOM 1790 C GLY B 35 -4.563 -8.327 -14.725 1.00 0.97 C ATOM 1791 O GLY B 35 -3.947 -7.662 -15.557 1.00 1.00 O ATOM 0 H GLY B 35 -5.747 -11.035 -13.727 1.00 1.00 H new ATOM 0 HA2 GLY B 35 -4.689 -10.287 -15.579 1.00 1.02 H new ATOM 0 HA3 GLY B 35 -6.053 -9.252 -15.955 1.00 1.02 H new ATOM 1795 N ILE B 36 -4.567 -8.028 -13.433 1.00 0.89 N ATOM 1796 CA ILE B 36 -3.828 -6.881 -12.914 1.00 0.84 C ATOM 1797 C ILE B 36 -2.325 -7.162 -12.919 1.00 0.83 C ATOM 1798 O ILE B 36 -1.889 -8.202 -12.429 1.00 0.80 O ATOM 1799 CB ILE B 36 -4.272 -6.525 -11.477 1.00 0.79 C ATOM 1800 CG1 ILE B 36 -5.792 -6.354 -11.411 1.00 0.82 C ATOM 1801 CG2 ILE B 36 -3.573 -5.259 -10.997 1.00 0.74 C ATOM 1802 CD1 ILE B 36 -6.315 -6.149 -10.006 1.00 0.81 C ATOM 0 H ILE B 36 -5.072 -8.561 -12.725 1.00 0.89 H new ATOM 0 HA ILE B 36 -4.045 -6.036 -13.567 1.00 0.84 H new ATOM 0 HB ILE B 36 -3.988 -7.346 -10.818 1.00 0.79 H new ATOM 0 HG12 ILE B 36 -6.081 -5.502 -12.026 1.00 0.82 H new ATOM 0 HG13 ILE B 36 -6.268 -7.234 -11.843 1.00 0.82 H new ATOM 0 HG21 ILE B 36 -3.899 -5.025 -9.983 1.00 0.74 H new ATOM 0 HG22 ILE B 36 -2.494 -5.414 -11.004 1.00 0.74 H new ATOM 0 HG23 ILE B 36 -3.825 -4.431 -11.659 1.00 0.74 H new ATOM 0 HD11 ILE B 36 -7.399 -6.035 -10.034 1.00 0.81 H new ATOM 0 HD12 ILE B 36 -6.057 -7.012 -9.392 1.00 0.81 H new ATOM 0 HD13 ILE B 36 -5.867 -5.252 -9.578 1.00 0.81 H new ATOM 1814 N PRO B 37 -1.513 -6.255 -13.492 1.00 0.87 N ATOM 1815 CA PRO B 37 -0.055 -6.418 -13.539 1.00 0.88 C ATOM 1816 C PRO B 37 0.567 -6.386 -12.139 1.00 0.79 C ATOM 1817 O PRO B 37 0.273 -5.486 -11.351 1.00 0.71 O ATOM 1818 CB PRO B 37 0.426 -5.212 -14.357 1.00 0.96 C ATOM 1819 CG PRO B 37 -0.786 -4.690 -15.049 1.00 1.01 C ATOM 1820 CD PRO B 37 -1.944 -5.011 -14.150 1.00 0.93 C ATOM 0 HA PRO B 37 0.231 -7.377 -13.970 1.00 0.88 H new ATOM 0 HB2 PRO B 37 0.868 -4.452 -13.713 1.00 0.96 H new ATOM 0 HB3 PRO B 37 1.192 -5.505 -15.075 1.00 0.96 H new ATOM 0 HG2 PRO B 37 -0.708 -3.616 -15.216 1.00 1.01 H new ATOM 0 HG3 PRO B 37 -0.909 -5.157 -16.026 1.00 1.01 H new ATOM 0 HD2 PRO B 37 -2.128 -4.215 -13.429 1.00 0.93 H new ATOM 0 HD3 PRO B 37 -2.867 -5.150 -14.713 1.00 0.93 H new ATOM 1828 N PRO B 38 1.428 -7.370 -11.810 1.00 0.82 N ATOM 1829 CA PRO B 38 2.096 -7.456 -10.496 1.00 0.76 C ATOM 1830 C PRO B 38 2.869 -6.187 -10.137 1.00 0.72 C ATOM 1831 O PRO B 38 2.991 -5.828 -8.962 1.00 0.67 O ATOM 1832 CB PRO B 38 3.056 -8.634 -10.660 1.00 0.86 C ATOM 1833 CG PRO B 38 2.453 -9.463 -11.738 1.00 0.95 C ATOM 1834 CD PRO B 38 1.807 -8.493 -12.685 1.00 0.93 C ATOM 0 HA PRO B 38 1.374 -7.581 -9.689 1.00 0.76 H new ATOM 0 HB2 PRO B 38 4.056 -8.296 -10.933 1.00 0.86 H new ATOM 0 HB3 PRO B 38 3.152 -9.199 -9.733 1.00 0.86 H new ATOM 0 HG2 PRO B 38 3.212 -10.058 -12.245 1.00 0.95 H new ATOM 0 HG3 PRO B 38 1.720 -10.160 -11.332 1.00 0.95 H new ATOM 0 HD2 PRO B 38 2.495 -8.178 -13.470 1.00 0.93 H new ATOM 0 HD3 PRO B 38 0.939 -8.930 -13.179 1.00 0.93 H new ATOM 1842 N ASP B 39 3.374 -5.504 -11.160 1.00 0.79 N ATOM 1843 CA ASP B 39 4.122 -4.259 -10.983 1.00 0.82 C ATOM 1844 C ASP B 39 3.236 -3.186 -10.351 1.00 0.72 C ATOM 1845 O ASP B 39 3.719 -2.240 -9.723 1.00 0.76 O ATOM 1846 CB ASP B 39 4.651 -3.788 -12.347 1.00 0.97 C ATOM 1847 CG ASP B 39 4.942 -2.298 -12.414 1.00 1.25 C ATOM 1848 OD1 ASP B 39 6.078 -1.888 -12.083 1.00 1.76 O ATOM 1849 OD2 ASP B 39 4.047 -1.533 -12.834 1.00 1.92 O ATOM 0 H ASP B 39 3.278 -5.795 -12.133 1.00 0.79 H new ATOM 0 HA ASP B 39 4.963 -4.437 -10.313 1.00 0.82 H new ATOM 0 HB2 ASP B 39 5.563 -4.337 -12.581 1.00 0.97 H new ATOM 0 HB3 ASP B 39 3.921 -4.040 -13.116 1.00 0.97 H new ATOM 1854 N GLN B 40 1.933 -3.373 -10.482 1.00 0.64 N ATOM 1855 CA GLN B 40 0.965 -2.435 -9.945 1.00 0.59 C ATOM 1856 C GLN B 40 0.163 -3.072 -8.814 1.00 0.52 C ATOM 1857 O GLN B 40 -0.910 -2.592 -8.455 1.00 0.54 O ATOM 1858 CB GLN B 40 0.031 -1.955 -11.057 1.00 0.63 C ATOM 1859 CG GLN B 40 0.627 -0.845 -11.910 1.00 0.74 C ATOM 1860 CD GLN B 40 0.320 -1.008 -13.384 1.00 1.26 C ATOM 1861 OE1 GLN B 40 -0.730 -0.583 -13.865 1.00 1.81 O ATOM 1862 NE2 GLN B 40 1.250 -1.595 -14.116 1.00 1.91 N ATOM 0 H GLN B 40 1.520 -4.174 -10.960 1.00 0.64 H new ATOM 0 HA GLN B 40 1.501 -1.578 -9.538 1.00 0.59 H new ATOM 0 HB2 GLN B 40 -0.222 -2.799 -11.698 1.00 0.63 H new ATOM 0 HB3 GLN B 40 -0.899 -1.602 -10.613 1.00 0.63 H new ATOM 0 HG2 GLN B 40 0.243 0.116 -11.568 1.00 0.74 H new ATOM 0 HG3 GLN B 40 1.708 -0.825 -11.769 1.00 0.74 H new ATOM 0 HE21 GLN B 40 2.106 -1.933 -13.677 1.00 1.91 H new ATOM 0 HE22 GLN B 40 1.112 -1.710 -15.120 1.00 1.91 H new ATOM 1871 N GLN B 41 0.697 -4.149 -8.248 1.00 0.46 N ATOM 1872 CA GLN B 41 0.025 -4.854 -7.164 1.00 0.42 C ATOM 1873 C GLN B 41 0.768 -4.702 -5.844 1.00 0.46 C ATOM 1874 O GLN B 41 1.954 -5.033 -5.744 1.00 0.69 O ATOM 1875 CB GLN B 41 -0.083 -6.345 -7.473 1.00 0.45 C ATOM 1876 CG GLN B 41 -1.033 -6.701 -8.601 1.00 0.52 C ATOM 1877 CD GLN B 41 -1.292 -8.191 -8.653 1.00 0.59 C ATOM 1878 OE1 GLN B 41 -1.337 -8.853 -7.621 1.00 0.96 O ATOM 1879 NE2 GLN B 41 -1.440 -8.736 -9.845 1.00 0.74 N ATOM 0 H GLN B 41 1.593 -4.552 -8.522 1.00 0.46 H new ATOM 0 HA GLN B 41 -0.967 -4.410 -7.075 1.00 0.42 H new ATOM 0 HB2 GLN B 41 0.909 -6.721 -7.722 1.00 0.45 H new ATOM 0 HB3 GLN B 41 -0.404 -6.865 -6.570 1.00 0.45 H new ATOM 0 HG2 GLN B 41 -1.976 -6.170 -8.466 1.00 0.52 H new ATOM 0 HG3 GLN B 41 -0.613 -6.369 -9.551 1.00 0.52 H new ATOM 0 HE21 GLN B 41 -1.397 -8.153 -10.681 1.00 0.74 H new ATOM 0 HE22 GLN B 41 -1.598 -9.740 -9.931 1.00 0.74 H new ATOM 1888 N ARG B 42 0.088 -4.160 -4.848 1.00 0.36 N ATOM 1889 CA ARG B 42 0.663 -4.019 -3.518 1.00 0.39 C ATOM 1890 C ARG B 42 -0.166 -4.830 -2.522 1.00 0.37 C ATOM 1891 O ARG B 42 -1.328 -4.512 -2.271 1.00 0.43 O ATOM 1892 CB ARG B 42 0.713 -2.545 -3.103 1.00 0.50 C ATOM 1893 CG ARG B 42 1.586 -1.676 -3.999 1.00 0.95 C ATOM 1894 CD ARG B 42 3.022 -2.171 -4.029 1.00 1.32 C ATOM 1895 NE ARG B 42 3.863 -1.372 -4.921 1.00 1.97 N ATOM 1896 CZ ARG B 42 4.314 -1.794 -6.105 1.00 2.64 C ATOM 1897 NH1 ARG B 42 3.942 -2.978 -6.587 1.00 3.02 N ATOM 1898 NH2 ARG B 42 5.120 -1.021 -6.817 1.00 3.22 N ATOM 0 H ARG B 42 -0.866 -3.809 -4.934 1.00 0.36 H new ATOM 0 HA ARG B 42 1.685 -4.397 -3.528 1.00 0.39 H new ATOM 0 HB2 ARG B 42 -0.301 -2.144 -3.102 1.00 0.50 H new ATOM 0 HB3 ARG B 42 1.082 -2.479 -2.080 1.00 0.50 H new ATOM 0 HG2 ARG B 42 1.180 -1.673 -5.011 1.00 0.95 H new ATOM 0 HG3 ARG B 42 1.563 -0.646 -3.643 1.00 0.95 H new ATOM 0 HD2 ARG B 42 3.435 -2.143 -3.021 1.00 1.32 H new ATOM 0 HD3 ARG B 42 3.039 -3.212 -4.352 1.00 1.32 H new ATOM 0 HE ARG B 42 4.121 -0.433 -4.619 1.00 1.97 H new ATOM 0 HH11 ARG B 42 3.308 -3.570 -6.051 1.00 3.02 H new ATOM 0 HH12 ARG B 42 4.291 -3.293 -7.492 1.00 3.02 H new ATOM 0 HH21 ARG B 42 5.395 -0.106 -6.461 1.00 3.22 H new ATOM 0 HH22 ARG B 42 5.466 -1.341 -7.722 1.00 3.22 H new ATOM 1912 N LEU B 43 0.425 -5.883 -1.969 1.00 0.38 N ATOM 1913 CA LEU B 43 -0.278 -6.748 -1.022 1.00 0.41 C ATOM 1914 C LEU B 43 -0.056 -6.297 0.417 1.00 0.41 C ATOM 1915 O LEU B 43 1.054 -5.933 0.797 1.00 0.45 O ATOM 1916 CB LEU B 43 0.177 -8.199 -1.189 1.00 0.46 C ATOM 1917 CG LEU B 43 -0.453 -8.942 -2.368 1.00 0.64 C ATOM 1918 CD1 LEU B 43 0.394 -10.142 -2.754 1.00 1.33 C ATOM 1919 CD2 LEU B 43 -1.866 -9.383 -2.023 1.00 0.85 C ATOM 0 H LEU B 43 1.388 -6.160 -2.158 1.00 0.38 H new ATOM 0 HA LEU B 43 -1.344 -6.677 -1.238 1.00 0.41 H new ATOM 0 HB2 LEU B 43 1.260 -8.213 -1.307 1.00 0.46 H new ATOM 0 HB3 LEU B 43 -0.051 -8.743 -0.272 1.00 0.46 H new ATOM 0 HG LEU B 43 -0.499 -8.262 -3.219 1.00 0.64 H new ATOM 0 HD11 LEU B 43 -0.069 -10.659 -3.594 1.00 1.33 H new ATOM 0 HD12 LEU B 43 1.391 -9.807 -3.039 1.00 1.33 H new ATOM 0 HD13 LEU B 43 0.469 -10.823 -1.906 1.00 1.33 H new ATOM 0 HD21 LEU B 43 -2.300 -9.910 -2.872 1.00 0.85 H new ATOM 0 HD22 LEU B 43 -1.839 -10.047 -1.159 1.00 0.85 H new ATOM 0 HD23 LEU B 43 -2.473 -8.508 -1.790 1.00 0.85 H new ATOM 1931 N ILE B 44 -1.119 -6.334 1.212 1.00 0.39 N ATOM 1932 CA ILE B 44 -1.059 -5.921 2.609 1.00 0.43 C ATOM 1933 C ILE B 44 -1.654 -6.988 3.526 1.00 0.45 C ATOM 1934 O ILE B 44 -2.675 -7.599 3.200 1.00 0.47 O ATOM 1935 CB ILE B 44 -1.832 -4.603 2.833 1.00 0.47 C ATOM 1936 CG1 ILE B 44 -1.441 -3.559 1.790 1.00 0.64 C ATOM 1937 CG2 ILE B 44 -1.589 -4.061 4.235 1.00 0.52 C ATOM 1938 CD1 ILE B 44 -2.412 -2.407 1.716 1.00 1.03 C ATOM 0 H ILE B 44 -2.041 -6.649 0.909 1.00 0.39 H new ATOM 0 HA ILE B 44 -0.006 -5.776 2.850 1.00 0.43 H new ATOM 0 HB ILE B 44 -2.895 -4.819 2.726 1.00 0.47 H new ATOM 0 HG12 ILE B 44 -0.448 -3.175 2.023 1.00 0.64 H new ATOM 0 HG13 ILE B 44 -1.377 -4.037 0.812 1.00 0.64 H new ATOM 0 HG21 ILE B 44 -2.144 -3.133 4.367 1.00 0.52 H new ATOM 0 HG22 ILE B 44 -1.924 -4.792 4.971 1.00 0.52 H new ATOM 0 HG23 ILE B 44 -0.525 -3.870 4.372 1.00 0.52 H new ATOM 0 HD11 ILE B 44 -2.079 -1.699 0.957 1.00 1.03 H new ATOM 0 HD12 ILE B 44 -3.402 -2.782 1.454 1.00 1.03 H new ATOM 0 HD13 ILE B 44 -2.458 -1.907 2.683 1.00 1.03 H new ATOM 1950 N PHE B 45 -1.015 -7.194 4.672 1.00 0.48 N ATOM 1951 CA PHE B 45 -1.469 -8.162 5.664 1.00 0.52 C ATOM 1952 C PHE B 45 -0.932 -7.773 7.038 1.00 0.58 C ATOM 1953 O PHE B 45 0.174 -7.247 7.145 1.00 0.57 O ATOM 1954 CB PHE B 45 -1.014 -9.578 5.295 1.00 0.64 C ATOM 1955 CG PHE B 45 -1.675 -10.659 6.105 1.00 0.72 C ATOM 1956 CD1 PHE B 45 -3.045 -10.857 6.034 1.00 0.92 C ATOM 1957 CD2 PHE B 45 -0.926 -11.482 6.931 1.00 1.19 C ATOM 1958 CE1 PHE B 45 -3.655 -11.852 6.770 1.00 0.99 C ATOM 1959 CE2 PHE B 45 -1.532 -12.479 7.672 1.00 1.31 C ATOM 1960 CZ PHE B 45 -2.897 -12.664 7.591 1.00 0.97 C ATOM 0 H PHE B 45 -0.167 -6.694 4.940 1.00 0.48 H new ATOM 0 HA PHE B 45 -2.559 -8.156 5.687 1.00 0.52 H new ATOM 0 HB2 PHE B 45 -1.219 -9.752 4.239 1.00 0.64 H new ATOM 0 HB3 PHE B 45 0.066 -9.648 5.426 1.00 0.64 H new ATOM 0 HD1 PHE B 45 -3.643 -10.224 5.394 1.00 0.92 H new ATOM 0 HD2 PHE B 45 0.143 -11.343 6.996 1.00 1.19 H new ATOM 0 HE1 PHE B 45 -4.723 -11.996 6.704 1.00 0.99 H new ATOM 0 HE2 PHE B 45 -0.938 -13.113 8.314 1.00 1.31 H new ATOM 0 HZ PHE B 45 -3.372 -13.443 8.169 1.00 0.97 H new ATOM 1970 N ALA B 46 -1.725 -8.024 8.077 1.00 0.75 N ATOM 1971 CA ALA B 46 -1.348 -7.699 9.455 1.00 0.94 C ATOM 1972 C ALA B 46 -1.043 -6.210 9.627 1.00 0.87 C ATOM 1973 O ALA B 46 -0.268 -5.820 10.505 1.00 0.92 O ATOM 1974 CB ALA B 46 -0.157 -8.545 9.894 1.00 1.07 C ATOM 0 H ALA B 46 -2.645 -8.457 7.991 1.00 0.75 H new ATOM 0 HA ALA B 46 -2.201 -7.931 10.093 1.00 0.94 H new ATOM 0 HB1 ALA B 46 0.111 -8.292 10.920 1.00 1.07 H new ATOM 0 HB2 ALA B 46 -0.421 -9.601 9.838 1.00 1.07 H new ATOM 0 HB3 ALA B 46 0.691 -8.347 9.238 1.00 1.07 H new ATOM 1980 N GLY B 47 -1.653 -5.381 8.788 1.00 0.83 N ATOM 1981 CA GLY B 47 -1.445 -3.945 8.873 1.00 0.87 C ATOM 1982 C GLY B 47 -0.163 -3.477 8.201 1.00 0.74 C ATOM 1983 O GLY B 47 0.166 -2.292 8.249 1.00 0.85 O ATOM 0 H GLY B 47 -2.290 -5.677 8.048 1.00 0.83 H new ATOM 0 HA2 GLY B 47 -2.293 -3.435 8.415 1.00 0.87 H new ATOM 0 HA3 GLY B 47 -1.424 -3.650 9.922 1.00 0.87 H new ATOM 1987 N LYS B 48 0.560 -4.395 7.571 1.00 0.58 N ATOM 1988 CA LYS B 48 1.807 -4.050 6.900 1.00 0.54 C ATOM 1989 C LYS B 48 1.819 -4.577 5.470 1.00 0.51 C ATOM 1990 O LYS B 48 1.161 -5.568 5.159 1.00 0.55 O ATOM 1991 CB LYS B 48 3.008 -4.618 7.671 1.00 0.56 C ATOM 1992 CG LYS B 48 3.088 -6.140 7.649 1.00 1.38 C ATOM 1993 CD LYS B 48 4.429 -6.648 8.163 1.00 1.44 C ATOM 1994 CE LYS B 48 4.519 -6.565 9.677 1.00 2.31 C ATOM 1995 NZ LYS B 48 5.795 -7.135 10.190 1.00 2.94 N ATOM 0 H LYS B 48 0.305 -5.381 7.511 1.00 0.58 H new ATOM 0 HA LYS B 48 1.882 -2.963 6.873 1.00 0.54 H new ATOM 0 HB2 LYS B 48 3.926 -4.209 7.248 1.00 0.56 H new ATOM 0 HB3 LYS B 48 2.956 -4.281 8.706 1.00 0.56 H new ATOM 0 HG2 LYS B 48 2.285 -6.554 8.259 1.00 1.38 H new ATOM 0 HG3 LYS B 48 2.931 -6.497 6.631 1.00 1.38 H new ATOM 0 HD2 LYS B 48 4.572 -7.681 7.846 1.00 1.44 H new ATOM 0 HD3 LYS B 48 5.234 -6.063 7.718 1.00 1.44 H new ATOM 0 HE2 LYS B 48 4.435 -5.524 9.989 1.00 2.31 H new ATOM 0 HE3 LYS B 48 3.679 -7.099 10.120 1.00 2.31 H new ATOM 0 HZ1 LYS B 48 5.595 -7.998 10.736 1.00 2.94 H new ATOM 0 HZ2 LYS B 48 6.418 -7.368 9.390 1.00 2.94 H new ATOM 0 HZ3 LYS B 48 6.265 -6.439 10.803 1.00 2.94 H new ATOM 2006 N GLN B 49 2.546 -3.899 4.594 1.00 0.54 N ATOM 2007 CA GLN B 49 2.648 -4.330 3.209 1.00 0.54 C ATOM 2008 C GLN B 49 3.644 -5.479 3.113 1.00 0.54 C ATOM 2009 O GLN B 49 4.633 -5.518 3.852 1.00 0.66 O ATOM 2010 CB GLN B 49 3.059 -3.169 2.301 1.00 0.61 C ATOM 2011 CG GLN B 49 2.742 -3.413 0.833 1.00 0.91 C ATOM 2012 CD GLN B 49 2.775 -2.151 0.004 1.00 1.34 C ATOM 2013 OE1 GLN B 49 3.804 -1.795 -0.562 1.00 1.56 O ATOM 2014 NE2 GLN B 49 1.646 -1.464 -0.075 1.00 2.24 N ATOM 0 H GLN B 49 3.071 -3.053 4.816 1.00 0.54 H new ATOM 0 HA GLN B 49 1.671 -4.675 2.870 1.00 0.54 H new ATOM 0 HB2 GLN B 49 2.551 -2.262 2.630 1.00 0.61 H new ATOM 0 HB3 GLN B 49 4.129 -2.992 2.410 1.00 0.61 H new ATOM 0 HG2 GLN B 49 3.458 -4.127 0.426 1.00 0.91 H new ATOM 0 HG3 GLN B 49 1.755 -3.869 0.751 1.00 0.91 H new ATOM 0 HE21 GLN B 49 0.813 -1.795 0.411 1.00 2.24 H new ATOM 0 HE22 GLN B 49 1.610 -0.604 -0.622 1.00 2.24 H new ATOM 2023 N LEU B 50 3.392 -6.400 2.200 1.00 0.60 N ATOM 2024 CA LEU B 50 4.241 -7.571 2.034 1.00 0.66 C ATOM 2025 C LEU B 50 5.118 -7.449 0.796 1.00 0.68 C ATOM 2026 O LEU B 50 4.636 -7.096 -0.280 1.00 0.66 O ATOM 2027 CB LEU B 50 3.373 -8.825 1.926 1.00 0.70 C ATOM 2028 CG LEU B 50 2.071 -8.789 2.732 1.00 1.06 C ATOM 2029 CD1 LEU B 50 1.197 -9.981 2.381 1.00 1.76 C ATOM 2030 CD2 LEU B 50 2.361 -8.763 4.225 1.00 1.23 C ATOM 0 H LEU B 50 2.601 -6.361 1.557 1.00 0.60 H new ATOM 0 HA LEU B 50 4.891 -7.644 2.906 1.00 0.66 H new ATOM 0 HB2 LEU B 50 3.127 -8.988 0.877 1.00 0.70 H new ATOM 0 HB3 LEU B 50 3.960 -9.683 2.253 1.00 0.70 H new ATOM 0 HG LEU B 50 1.534 -7.876 2.473 1.00 1.06 H new ATOM 0 HD11 LEU B 50 0.276 -9.940 2.962 1.00 1.76 H new ATOM 0 HD12 LEU B 50 0.957 -9.956 1.318 1.00 1.76 H new ATOM 0 HD13 LEU B 50 1.730 -10.903 2.610 1.00 1.76 H new ATOM 0 HD21 LEU B 50 1.422 -8.738 4.778 1.00 1.23 H new ATOM 0 HD22 LEU B 50 2.921 -9.656 4.502 1.00 1.23 H new ATOM 0 HD23 LEU B 50 2.948 -7.877 4.466 1.00 1.23 H new ATOM 2042 N GLU B 51 6.404 -7.729 0.954 1.00 0.75 N ATOM 2043 CA GLU B 51 7.338 -7.664 -0.159 1.00 0.83 C ATOM 2044 C GLU B 51 7.353 -8.986 -0.918 1.00 0.76 C ATOM 2045 O GLU B 51 7.136 -10.051 -0.338 1.00 0.70 O ATOM 2046 CB GLU B 51 8.738 -7.308 0.331 1.00 1.00 C ATOM 2047 CG GLU B 51 9.009 -5.814 0.326 1.00 1.33 C ATOM 2048 CD GLU B 51 10.377 -5.466 0.868 1.00 1.68 C ATOM 2049 OE1 GLU B 51 10.626 -5.716 2.065 1.00 2.14 O ATOM 2050 OE2 GLU B 51 11.206 -4.923 0.104 1.00 2.36 O ATOM 0 H GLU B 51 6.823 -8.003 1.842 1.00 0.75 H new ATOM 0 HA GLU B 51 7.008 -6.879 -0.840 1.00 0.83 H new ATOM 0 HB2 GLU B 51 8.871 -7.692 1.342 1.00 1.00 H new ATOM 0 HB3 GLU B 51 9.475 -7.807 -0.299 1.00 1.00 H new ATOM 0 HG2 GLU B 51 8.920 -5.436 -0.693 1.00 1.33 H new ATOM 0 HG3 GLU B 51 8.248 -5.309 0.921 1.00 1.33 H new ATOM 2057 N ASP B 52 7.641 -8.905 -2.211 1.00 0.84 N ATOM 2058 CA ASP B 52 7.662 -10.070 -3.098 1.00 0.88 C ATOM 2059 C ASP B 52 8.747 -11.071 -2.722 1.00 0.92 C ATOM 2060 O ASP B 52 8.665 -12.245 -3.083 1.00 1.42 O ATOM 2061 CB ASP B 52 7.883 -9.621 -4.545 1.00 1.02 C ATOM 2062 CG ASP B 52 6.834 -8.639 -5.018 1.00 1.11 C ATOM 2063 OD1 ASP B 52 6.862 -7.471 -4.574 1.00 1.32 O ATOM 2064 OD2 ASP B 52 5.970 -9.021 -5.829 1.00 1.52 O ATOM 0 H ASP B 52 7.868 -8.028 -2.679 1.00 0.84 H new ATOM 0 HA ASP B 52 6.697 -10.565 -2.992 1.00 0.88 H new ATOM 0 HB2 ASP B 52 8.869 -9.164 -4.633 1.00 1.02 H new ATOM 0 HB3 ASP B 52 7.878 -10.494 -5.197 1.00 1.02 H new ATOM 2069 N GLY B 53 9.761 -10.608 -2.004 1.00 0.79 N ATOM 2070 CA GLY B 53 10.855 -11.482 -1.616 1.00 0.88 C ATOM 2071 C GLY B 53 10.524 -12.389 -0.447 1.00 0.84 C ATOM 2072 O GLY B 53 11.280 -13.310 -0.141 1.00 0.93 O ATOM 0 H GLY B 53 9.847 -9.644 -1.682 1.00 0.79 H new ATOM 0 HA2 GLY B 53 11.140 -12.095 -2.471 1.00 0.88 H new ATOM 0 HA3 GLY B 53 11.721 -10.873 -1.358 1.00 0.88 H new ATOM 2076 N ARG B 54 9.402 -12.141 0.208 1.00 0.76 N ATOM 2077 CA ARG B 54 9.005 -12.945 1.358 1.00 0.79 C ATOM 2078 C ARG B 54 7.985 -14.011 0.962 1.00 0.72 C ATOM 2079 O ARG B 54 7.410 -13.962 -0.129 1.00 0.69 O ATOM 2080 CB ARG B 54 8.426 -12.045 2.449 1.00 0.83 C ATOM 2081 CG ARG B 54 9.266 -10.805 2.730 1.00 1.00 C ATOM 2082 CD ARG B 54 10.584 -11.156 3.400 1.00 1.22 C ATOM 2083 NE ARG B 54 10.414 -11.434 4.824 1.00 2.01 N ATOM 2084 CZ ARG B 54 11.059 -12.403 5.476 1.00 2.69 C ATOM 2085 NH1 ARG B 54 11.935 -13.176 4.845 1.00 2.90 N ATOM 2086 NH2 ARG B 54 10.828 -12.596 6.766 1.00 3.65 N ATOM 0 H ARG B 54 8.751 -11.394 -0.033 1.00 0.76 H new ATOM 0 HA ARG B 54 9.891 -13.451 1.740 1.00 0.79 H new ATOM 0 HB2 ARG B 54 7.423 -11.735 2.157 1.00 0.83 H new ATOM 0 HB3 ARG B 54 8.327 -12.622 3.369 1.00 0.83 H new ATOM 0 HG2 ARG B 54 9.462 -10.279 1.795 1.00 1.00 H new ATOM 0 HG3 ARG B 54 8.704 -10.122 3.368 1.00 1.00 H new ATOM 0 HD2 ARG B 54 11.020 -12.026 2.910 1.00 1.22 H new ATOM 0 HD3 ARG B 54 11.287 -10.333 3.272 1.00 1.22 H new ATOM 0 HE ARG B 54 9.763 -10.852 5.352 1.00 2.01 H new ATOM 0 HH11 ARG B 54 12.120 -13.032 3.852 1.00 2.90 H new ATOM 0 HH12 ARG B 54 12.423 -13.914 5.353 1.00 2.90 H new ATOM 0 HH21 ARG B 54 10.158 -12.005 7.258 1.00 3.65 H new ATOM 0 HH22 ARG B 54 11.320 -13.336 7.267 1.00 3.65 H new ATOM 2100 N THR B 55 7.773 -14.980 1.844 1.00 0.72 N ATOM 2101 CA THR B 55 6.814 -16.045 1.590 1.00 0.68 C ATOM 2102 C THR B 55 5.594 -15.880 2.489 1.00 0.66 C ATOM 2103 O THR B 55 5.597 -15.057 3.408 1.00 0.69 O ATOM 2104 CB THR B 55 7.424 -17.445 1.820 1.00 0.75 C ATOM 2105 OG1 THR B 55 7.909 -17.564 3.163 1.00 0.90 O ATOM 2106 CG2 THR B 55 8.559 -17.714 0.845 1.00 0.76 C ATOM 0 H THR B 55 8.253 -15.049 2.741 1.00 0.72 H new ATOM 0 HA THR B 55 6.523 -15.969 0.542 1.00 0.68 H new ATOM 0 HB THR B 55 6.638 -18.181 1.653 1.00 0.75 H new ATOM 0 HG1 THR B 55 8.721 -17.025 3.267 1.00 0.90 H new ATOM 0 HG21 THR B 55 8.970 -18.707 1.030 1.00 0.76 H new ATOM 0 HG22 THR B 55 8.181 -17.662 -0.176 1.00 0.76 H new ATOM 0 HG23 THR B 55 9.341 -16.967 0.981 1.00 0.76 H new ATOM 2114 N LEU B 56 4.555 -16.657 2.219 1.00 0.63 N ATOM 2115 CA LEU B 56 3.332 -16.604 3.011 1.00 0.63 C ATOM 2116 C LEU B 56 3.612 -16.951 4.469 1.00 0.70 C ATOM 2117 O LEU B 56 3.136 -16.273 5.383 1.00 0.71 O ATOM 2118 CB LEU B 56 2.280 -17.555 2.439 1.00 0.62 C ATOM 2119 CG LEU B 56 1.304 -16.932 1.438 1.00 0.58 C ATOM 2120 CD1 LEU B 56 2.030 -16.476 0.182 1.00 1.15 C ATOM 2121 CD2 LEU B 56 0.209 -17.922 1.090 1.00 1.26 C ATOM 0 H LEU B 56 4.533 -17.334 1.456 1.00 0.63 H new ATOM 0 HA LEU B 56 2.947 -15.585 2.966 1.00 0.63 H new ATOM 0 HB2 LEU B 56 2.792 -18.385 1.952 1.00 0.62 H new ATOM 0 HB3 LEU B 56 1.707 -17.975 3.266 1.00 0.62 H new ATOM 0 HG LEU B 56 0.851 -16.056 1.901 1.00 0.58 H new ATOM 0 HD11 LEU B 56 1.314 -16.037 -0.513 1.00 1.15 H new ATOM 0 HD12 LEU B 56 2.782 -15.732 0.446 1.00 1.15 H new ATOM 0 HD13 LEU B 56 2.515 -17.331 -0.289 1.00 1.15 H new ATOM 0 HD21 LEU B 56 -0.479 -17.468 0.377 1.00 1.26 H new ATOM 0 HD22 LEU B 56 0.652 -18.814 0.648 1.00 1.26 H new ATOM 0 HD23 LEU B 56 -0.334 -18.197 1.994 1.00 1.26 H new ATOM 2133 N SER B 57 4.397 -17.998 4.683 1.00 0.76 N ATOM 2134 CA SER B 57 4.755 -18.440 6.024 1.00 0.85 C ATOM 2135 C SER B 57 5.605 -17.399 6.758 1.00 0.90 C ATOM 2136 O SER B 57 5.704 -17.427 7.984 1.00 0.98 O ATOM 2137 CB SER B 57 5.504 -19.766 5.929 1.00 0.95 C ATOM 2138 OG SER B 57 5.854 -20.041 4.581 1.00 0.98 O ATOM 0 H SER B 57 4.802 -18.563 3.936 1.00 0.76 H new ATOM 0 HA SER B 57 3.839 -18.571 6.600 1.00 0.85 H new ATOM 0 HB2 SER B 57 6.403 -19.728 6.544 1.00 0.95 H new ATOM 0 HB3 SER B 57 4.883 -20.571 6.322 1.00 0.95 H new ATOM 0 HG SER B 57 5.074 -20.399 4.107 1.00 0.98 H new ATOM 2144 N ASP B 58 6.208 -16.475 6.010 1.00 0.87 N ATOM 2145 CA ASP B 58 7.036 -15.433 6.612 1.00 0.93 C ATOM 2146 C ASP B 58 6.161 -14.389 7.289 1.00 0.91 C ATOM 2147 O ASP B 58 6.572 -13.750 8.257 1.00 0.95 O ATOM 2148 CB ASP B 58 7.919 -14.745 5.565 1.00 0.97 C ATOM 2149 CG ASP B 58 9.127 -15.567 5.178 1.00 1.14 C ATOM 2150 OD1 ASP B 58 9.751 -16.176 6.069 1.00 1.16 O ATOM 2151 OD2 ASP B 58 9.464 -15.607 3.975 1.00 1.61 O ATOM 0 H ASP B 58 6.139 -16.427 4.993 1.00 0.87 H new ATOM 0 HA ASP B 58 7.679 -15.912 7.350 1.00 0.93 H new ATOM 0 HB2 ASP B 58 7.325 -14.541 4.674 1.00 0.97 H new ATOM 0 HB3 ASP B 58 8.251 -13.782 5.954 1.00 0.97 H new ATOM 2156 N TYR B 59 4.950 -14.223 6.779 1.00 0.86 N ATOM 2157 CA TYR B 59 4.020 -13.245 7.331 1.00 0.87 C ATOM 2158 C TYR B 59 2.905 -13.919 8.116 1.00 0.88 C ATOM 2159 O TYR B 59 2.000 -13.250 8.617 1.00 0.91 O ATOM 2160 CB TYR B 59 3.433 -12.379 6.216 1.00 0.81 C ATOM 2161 CG TYR B 59 4.403 -11.349 5.685 1.00 0.78 C ATOM 2162 CD1 TYR B 59 4.863 -10.322 6.499 1.00 0.84 C ATOM 2163 CD2 TYR B 59 4.859 -11.400 4.374 1.00 0.78 C ATOM 2164 CE1 TYR B 59 5.755 -9.380 6.024 1.00 0.87 C ATOM 2165 CE2 TYR B 59 5.749 -10.460 3.893 1.00 0.80 C ATOM 2166 CZ TYR B 59 6.191 -9.452 4.720 1.00 0.83 C ATOM 2167 OH TYR B 59 7.085 -8.517 4.246 1.00 0.90 O ATOM 0 H TYR B 59 4.587 -14.751 5.985 1.00 0.86 H new ATOM 0 HA TYR B 59 4.577 -12.609 8.019 1.00 0.87 H new ATOM 0 HB2 TYR B 59 3.112 -13.022 5.397 1.00 0.81 H new ATOM 0 HB3 TYR B 59 2.544 -11.872 6.590 1.00 0.81 H new ATOM 0 HD1 TYR B 59 4.518 -10.259 7.520 1.00 0.84 H new ATOM 0 HD2 TYR B 59 4.512 -12.187 3.721 1.00 0.78 H new ATOM 0 HE1 TYR B 59 6.108 -8.592 6.672 1.00 0.87 H new ATOM 0 HE2 TYR B 59 6.097 -10.515 2.872 1.00 0.80 H new ATOM 0 HH TYR B 59 7.839 -8.440 4.868 1.00 0.90 H new ATOM 2177 N ASN B 60 2.970 -15.248 8.207 1.00 0.89 N ATOM 2178 CA ASN B 60 1.979 -16.038 8.938 1.00 0.92 C ATOM 2179 C ASN B 60 0.634 -16.015 8.213 1.00 0.86 C ATOM 2180 O ASN B 60 -0.430 -15.941 8.833 1.00 0.89 O ATOM 2181 CB ASN B 60 1.832 -15.543 10.388 1.00 1.00 C ATOM 2182 CG ASN B 60 1.012 -16.486 11.255 1.00 1.48 C ATOM 2183 OD1 ASN B 60 0.996 -17.699 11.038 1.00 2.05 O ATOM 2184 ND2 ASN B 60 0.334 -15.934 12.249 1.00 1.91 N ATOM 0 H ASN B 60 3.709 -15.805 7.778 1.00 0.89 H new ATOM 0 HA ASN B 60 2.330 -17.069 8.976 1.00 0.92 H new ATOM 0 HB2 ASN B 60 2.822 -15.422 10.827 1.00 1.00 H new ATOM 0 HB3 ASN B 60 1.362 -14.559 10.385 1.00 1.00 H new ATOM 0 HD21 ASN B 60 -0.228 -16.517 12.869 1.00 1.91 H new ATOM 0 HD22 ASN B 60 0.374 -14.925 12.395 1.00 1.91 H new ATOM 2191 N ILE B 61 0.690 -16.075 6.889 1.00 0.80 N ATOM 2192 CA ILE B 61 -0.516 -16.086 6.081 1.00 0.74 C ATOM 2193 C ILE B 61 -1.045 -17.510 6.000 1.00 0.74 C ATOM 2194 O ILE B 61 -0.499 -18.353 5.284 1.00 0.73 O ATOM 2195 CB ILE B 61 -0.270 -15.541 4.660 1.00 0.68 C ATOM 2196 CG1 ILE B 61 0.379 -14.155 4.729 1.00 0.70 C ATOM 2197 CG2 ILE B 61 -1.579 -15.479 3.880 1.00 0.66 C ATOM 2198 CD1 ILE B 61 0.776 -13.598 3.380 1.00 0.65 C ATOM 0 H ILE B 61 1.558 -16.117 6.355 1.00 0.80 H new ATOM 0 HA ILE B 61 -1.247 -15.432 6.557 1.00 0.74 H new ATOM 0 HB ILE B 61 0.409 -16.217 4.140 1.00 0.68 H new ATOM 0 HG12 ILE B 61 -0.314 -13.463 5.207 1.00 0.70 H new ATOM 0 HG13 ILE B 61 1.264 -14.210 5.364 1.00 0.70 H new ATOM 0 HG21 ILE B 61 -1.388 -15.092 2.879 1.00 0.66 H new ATOM 0 HG22 ILE B 61 -2.007 -16.479 3.807 1.00 0.66 H new ATOM 0 HG23 ILE B 61 -2.279 -14.822 4.396 1.00 0.66 H new ATOM 0 HD11 ILE B 61 1.228 -12.615 3.511 1.00 0.65 H new ATOM 0 HD12 ILE B 61 1.494 -14.268 2.907 1.00 0.65 H new ATOM 0 HD13 ILE B 61 -0.108 -13.509 2.748 1.00 0.65 H new ATOM 2210 N GLN B 62 -2.086 -17.774 6.769 1.00 0.80 N ATOM 2211 CA GLN B 62 -2.697 -19.092 6.818 1.00 0.81 C ATOM 2212 C GLN B 62 -3.923 -19.154 5.914 1.00 0.75 C ATOM 2213 O GLN B 62 -4.180 -18.239 5.130 1.00 0.70 O ATOM 2214 CB GLN B 62 -3.089 -19.429 8.257 1.00 0.91 C ATOM 2215 CG GLN B 62 -1.911 -19.473 9.217 1.00 1.02 C ATOM 2216 CD GLN B 62 -2.346 -19.490 10.667 1.00 1.22 C ATOM 2217 OE1 GLN B 62 -3.422 -19.990 11.003 1.00 1.83 O ATOM 2218 NE2 GLN B 62 -1.519 -18.936 11.534 1.00 1.51 N ATOM 0 H GLN B 62 -2.531 -17.085 7.375 1.00 0.80 H new ATOM 0 HA GLN B 62 -1.972 -19.824 6.462 1.00 0.81 H new ATOM 0 HB2 GLN B 62 -3.807 -18.690 8.611 1.00 0.91 H new ATOM 0 HB3 GLN B 62 -3.593 -20.395 8.270 1.00 0.91 H new ATOM 0 HG2 GLN B 62 -1.311 -20.359 9.011 1.00 1.02 H new ATOM 0 HG3 GLN B 62 -1.272 -18.607 9.043 1.00 1.02 H new ATOM 0 HE21 GLN B 62 -0.638 -18.534 11.213 1.00 1.51 H new ATOM 0 HE22 GLN B 62 -1.761 -18.910 12.525 1.00 1.51 H new ATOM 2227 N LYS B 63 -4.673 -20.234 6.035 1.00 0.78 N ATOM 2228 CA LYS B 63 -5.877 -20.429 5.243 1.00 0.77 C ATOM 2229 C LYS B 63 -6.991 -19.498 5.713 1.00 0.77 C ATOM 2230 O LYS B 63 -7.061 -19.152 6.897 1.00 0.82 O ATOM 2231 CB LYS B 63 -6.344 -21.889 5.335 1.00 0.81 C ATOM 2232 CG LYS B 63 -6.695 -22.334 6.748 1.00 0.91 C ATOM 2233 CD LYS B 63 -7.315 -23.722 6.767 1.00 1.12 C ATOM 2234 CE LYS B 63 -6.293 -24.804 6.447 1.00 1.66 C ATOM 2235 NZ LYS B 63 -5.185 -24.830 7.435 1.00 2.28 N ATOM 0 H LYS B 63 -4.468 -20.997 6.680 1.00 0.78 H new ATOM 0 HA LYS B 63 -5.642 -20.194 4.205 1.00 0.77 H new ATOM 0 HB2 LYS B 63 -7.216 -22.023 4.695 1.00 0.81 H new ATOM 0 HB3 LYS B 63 -5.559 -22.537 4.944 1.00 0.81 H new ATOM 0 HG2 LYS B 63 -5.796 -22.329 7.364 1.00 0.91 H new ATOM 0 HG3 LYS B 63 -7.389 -21.620 7.192 1.00 0.91 H new ATOM 0 HD2 LYS B 63 -7.750 -23.912 7.748 1.00 1.12 H new ATOM 0 HD3 LYS B 63 -8.129 -23.766 6.044 1.00 1.12 H new ATOM 0 HE2 LYS B 63 -6.787 -25.776 6.430 1.00 1.66 H new ATOM 0 HE3 LYS B 63 -5.886 -24.635 5.450 1.00 1.66 H new ATOM 0 HZ1 LYS B 63 -4.687 -25.741 7.374 1.00 2.28 H new ATOM 0 HZ2 LYS B 63 -4.520 -24.057 7.231 1.00 2.28 H new ATOM 0 HZ3 LYS B 63 -5.571 -24.710 8.393 1.00 2.28 H new ATOM 2249 N GLU B 64 -7.829 -19.071 4.770 1.00 0.75 N ATOM 2250 CA GLU B 64 -8.973 -18.203 5.060 1.00 0.79 C ATOM 2251 C GLU B 64 -8.539 -16.839 5.599 1.00 0.78 C ATOM 2252 O GLU B 64 -9.303 -16.164 6.294 1.00 0.90 O ATOM 2253 CB GLU B 64 -9.928 -18.879 6.055 1.00 0.88 C ATOM 2254 CG GLU B 64 -10.179 -20.356 5.773 1.00 1.05 C ATOM 2255 CD GLU B 64 -10.695 -20.612 4.373 1.00 1.32 C ATOM 2256 OE1 GLU B 64 -11.640 -19.921 3.949 1.00 2.17 O ATOM 2257 OE2 GLU B 64 -10.167 -21.521 3.697 1.00 1.43 O ATOM 0 H GLU B 64 -7.736 -19.316 3.784 1.00 0.75 H new ATOM 0 HA GLU B 64 -9.494 -18.037 4.117 1.00 0.79 H new ATOM 0 HB2 GLU B 64 -9.520 -18.777 7.060 1.00 0.88 H new ATOM 0 HB3 GLU B 64 -10.881 -18.351 6.043 1.00 0.88 H new ATOM 0 HG2 GLU B 64 -9.252 -20.911 5.920 1.00 1.05 H new ATOM 0 HG3 GLU B 64 -10.899 -20.741 6.495 1.00 1.05 H new ATOM 2264 N SER B 65 -7.322 -16.427 5.273 1.00 0.69 N ATOM 2265 CA SER B 65 -6.813 -15.142 5.730 1.00 0.70 C ATOM 2266 C SER B 65 -7.318 -14.014 4.844 1.00 0.66 C ATOM 2267 O SER B 65 -7.407 -14.162 3.623 1.00 0.63 O ATOM 2268 CB SER B 65 -5.288 -15.149 5.753 1.00 0.68 C ATOM 2269 OG SER B 65 -4.799 -16.154 6.623 1.00 0.74 O ATOM 0 H SER B 65 -6.672 -16.961 4.697 1.00 0.69 H new ATOM 0 HA SER B 65 -7.179 -14.975 6.743 1.00 0.70 H new ATOM 0 HB2 SER B 65 -4.906 -15.317 4.746 1.00 0.68 H new ATOM 0 HB3 SER B 65 -4.921 -14.174 6.074 1.00 0.68 H new ATOM 0 HG SER B 65 -4.273 -16.803 6.110 1.00 0.74 H new ATOM 2275 N THR B 66 -7.659 -12.898 5.469 1.00 0.70 N ATOM 2276 CA THR B 66 -8.153 -11.737 4.753 1.00 0.69 C ATOM 2277 C THR B 66 -7.029 -10.731 4.512 1.00 0.65 C ATOM 2278 O THR B 66 -6.555 -10.071 5.438 1.00 0.68 O ATOM 2279 CB THR B 66 -9.293 -11.061 5.537 1.00 0.79 C ATOM 2280 OG1 THR B 66 -9.965 -12.038 6.347 1.00 0.98 O ATOM 2281 CG2 THR B 66 -10.292 -10.410 4.590 1.00 0.88 C ATOM 0 H THR B 66 -7.601 -12.774 6.480 1.00 0.70 H new ATOM 0 HA THR B 66 -8.536 -12.076 3.790 1.00 0.69 H new ATOM 0 HB THR B 66 -8.863 -10.286 6.172 1.00 0.79 H new ATOM 0 HG1 THR B 66 -10.689 -11.606 6.847 1.00 0.98 H new ATOM 0 HG21 THR B 66 -11.088 -9.939 5.168 1.00 0.88 H new ATOM 0 HG22 THR B 66 -9.785 -9.655 3.989 1.00 0.88 H new ATOM 0 HG23 THR B 66 -10.720 -11.169 3.935 1.00 0.88 H new ATOM 2289 N LEU B 67 -6.603 -10.630 3.265 1.00 0.61 N ATOM 2290 CA LEU B 67 -5.538 -9.720 2.881 1.00 0.59 C ATOM 2291 C LEU B 67 -6.113 -8.508 2.164 1.00 0.58 C ATOM 2292 O LEU B 67 -7.268 -8.519 1.733 1.00 0.61 O ATOM 2293 CB LEU B 67 -4.529 -10.419 1.960 1.00 0.59 C ATOM 2294 CG LEU B 67 -3.708 -11.545 2.595 1.00 0.75 C ATOM 2295 CD1 LEU B 67 -4.445 -12.874 2.507 1.00 1.15 C ATOM 2296 CD2 LEU B 67 -2.347 -11.645 1.923 1.00 1.31 C ATOM 0 H LEU B 67 -6.984 -11.175 2.492 1.00 0.61 H new ATOM 0 HA LEU B 67 -5.028 -9.399 3.789 1.00 0.59 H new ATOM 0 HB2 LEU B 67 -5.069 -10.827 1.106 1.00 0.59 H new ATOM 0 HB3 LEU B 67 -3.840 -9.668 1.572 1.00 0.59 H new ATOM 0 HG LEU B 67 -3.563 -11.310 3.650 1.00 0.75 H new ATOM 0 HD11 LEU B 67 -3.840 -13.657 2.965 1.00 1.15 H new ATOM 0 HD12 LEU B 67 -5.397 -12.797 3.032 1.00 1.15 H new ATOM 0 HD13 LEU B 67 -4.626 -13.121 1.461 1.00 1.15 H new ATOM 0 HD21 LEU B 67 -1.772 -12.449 2.383 1.00 1.31 H new ATOM 0 HD22 LEU B 67 -2.480 -11.855 0.862 1.00 1.31 H new ATOM 0 HD23 LEU B 67 -1.812 -10.703 2.042 1.00 1.31 H new ATOM 2308 N HIS B 68 -5.311 -7.466 2.040 1.00 0.59 N ATOM 2309 CA HIS B 68 -5.733 -6.254 1.357 1.00 0.60 C ATOM 2310 C HIS B 68 -4.820 -5.996 0.167 1.00 0.56 C ATOM 2311 O HIS B 68 -3.633 -6.305 0.215 1.00 0.65 O ATOM 2312 CB HIS B 68 -5.720 -5.055 2.311 1.00 0.70 C ATOM 2313 CG HIS B 68 -7.042 -4.781 2.967 1.00 1.14 C ATOM 2314 ND1 HIS B 68 -8.237 -4.752 2.279 1.00 1.91 N ATOM 2315 CD2 HIS B 68 -7.351 -4.511 4.259 1.00 1.76 C ATOM 2316 CE1 HIS B 68 -9.220 -4.470 3.117 1.00 2.20 C ATOM 2317 NE2 HIS B 68 -8.709 -4.320 4.324 1.00 2.10 N ATOM 0 H HIS B 68 -4.359 -7.434 2.405 1.00 0.59 H new ATOM 0 HA HIS B 68 -6.755 -6.389 1.004 1.00 0.60 H new ATOM 0 HB2 HIS B 68 -4.971 -5.227 3.084 1.00 0.70 H new ATOM 0 HB3 HIS B 68 -5.409 -4.168 1.759 1.00 0.70 H new ATOM 0 HD1 HIS B 68 -8.346 -4.922 1.279 1.00 1.91 H new ATOM 0 HD2 HIS B 68 -6.657 -4.456 5.085 1.00 1.76 H new ATOM 0 HE1 HIS B 68 -10.264 -4.378 2.857 1.00 2.20 H new ATOM 2326 N LEU B 69 -5.373 -5.450 -0.904 1.00 0.55 N ATOM 2327 CA LEU B 69 -4.590 -5.170 -2.099 1.00 0.51 C ATOM 2328 C LEU B 69 -4.735 -3.713 -2.516 1.00 0.52 C ATOM 2329 O LEU B 69 -5.822 -3.139 -2.430 1.00 0.70 O ATOM 2330 CB LEU B 69 -5.024 -6.082 -3.249 1.00 0.58 C ATOM 2331 CG LEU B 69 -4.215 -5.933 -4.541 1.00 0.56 C ATOM 2332 CD1 LEU B 69 -2.922 -6.728 -4.458 1.00 0.51 C ATOM 2333 CD2 LEU B 69 -5.037 -6.366 -5.745 1.00 0.71 C ATOM 0 H LEU B 69 -6.358 -5.192 -0.972 1.00 0.55 H new ATOM 0 HA LEU B 69 -3.543 -5.363 -1.865 1.00 0.51 H new ATOM 0 HB2 LEU B 69 -4.958 -7.117 -2.915 1.00 0.58 H new ATOM 0 HB3 LEU B 69 -6.073 -5.885 -3.471 1.00 0.58 H new ATOM 0 HG LEU B 69 -3.961 -4.880 -4.665 1.00 0.56 H new ATOM 0 HD11 LEU B 69 -2.362 -6.609 -5.385 1.00 0.51 H new ATOM 0 HD12 LEU B 69 -2.324 -6.363 -3.623 1.00 0.51 H new ATOM 0 HD13 LEU B 69 -3.152 -7.782 -4.306 1.00 0.51 H new ATOM 0 HD21 LEU B 69 -4.443 -6.252 -6.651 1.00 0.71 H new ATOM 0 HD22 LEU B 69 -5.327 -7.410 -5.631 1.00 0.71 H new ATOM 0 HD23 LEU B 69 -5.931 -5.747 -5.817 1.00 0.71 H new ATOM 2345 N VAL B 70 -3.638 -3.123 -2.956 1.00 0.40 N ATOM 2346 CA VAL B 70 -3.630 -1.739 -3.401 1.00 0.44 C ATOM 2347 C VAL B 70 -3.084 -1.652 -4.824 1.00 0.43 C ATOM 2348 O VAL B 70 -2.149 -2.372 -5.182 1.00 0.49 O ATOM 2349 CB VAL B 70 -2.792 -0.852 -2.451 1.00 0.47 C ATOM 2350 CG1 VAL B 70 -2.607 0.545 -3.016 1.00 1.14 C ATOM 2351 CG2 VAL B 70 -3.447 -0.782 -1.085 1.00 0.77 C ATOM 0 H VAL B 70 -2.731 -3.586 -3.015 1.00 0.40 H new ATOM 0 HA VAL B 70 -4.656 -1.370 -3.388 1.00 0.44 H new ATOM 0 HB VAL B 70 -1.806 -1.306 -2.352 1.00 0.47 H new ATOM 0 HG11 VAL B 70 -2.014 1.142 -2.323 1.00 1.14 H new ATOM 0 HG12 VAL B 70 -2.093 0.484 -3.975 1.00 1.14 H new ATOM 0 HG13 VAL B 70 -3.581 1.013 -3.156 1.00 1.14 H new ATOM 0 HG21 VAL B 70 -2.847 -0.155 -0.426 1.00 0.77 H new ATOM 0 HG22 VAL B 70 -4.446 -0.356 -1.182 1.00 0.77 H new ATOM 0 HG23 VAL B 70 -3.520 -1.785 -0.664 1.00 0.77 H new ATOM 2361 N LEU B 71 -3.681 -0.783 -5.626 1.00 0.44 N ATOM 2362 CA LEU B 71 -3.275 -0.602 -7.012 1.00 0.45 C ATOM 2363 C LEU B 71 -2.179 0.451 -7.127 1.00 0.52 C ATOM 2364 O LEU B 71 -1.933 1.217 -6.197 1.00 0.65 O ATOM 2365 CB LEU B 71 -4.474 -0.181 -7.866 1.00 0.52 C ATOM 2366 CG LEU B 71 -5.331 -1.321 -8.416 1.00 0.60 C ATOM 2367 CD1 LEU B 71 -6.042 -2.062 -7.293 1.00 0.99 C ATOM 2368 CD2 LEU B 71 -6.337 -0.779 -9.415 1.00 1.04 C ATOM 0 H LEU B 71 -4.456 -0.186 -5.337 1.00 0.44 H new ATOM 0 HA LEU B 71 -2.887 -1.554 -7.373 1.00 0.45 H new ATOM 0 HB2 LEU B 71 -5.111 0.471 -7.268 1.00 0.52 H new ATOM 0 HB3 LEU B 71 -4.109 0.411 -8.705 1.00 0.52 H new ATOM 0 HG LEU B 71 -4.676 -2.030 -8.922 1.00 0.60 H new ATOM 0 HD11 LEU B 71 -6.644 -2.868 -7.713 1.00 0.99 H new ATOM 0 HD12 LEU B 71 -5.304 -2.480 -6.608 1.00 0.99 H new ATOM 0 HD13 LEU B 71 -6.688 -1.370 -6.752 1.00 0.99 H new ATOM 0 HD21 LEU B 71 -6.943 -1.598 -9.802 1.00 1.04 H new ATOM 0 HD22 LEU B 71 -6.982 -0.051 -8.923 1.00 1.04 H new ATOM 0 HD23 LEU B 71 -5.809 -0.298 -10.239 1.00 1.04 H new ATOM 2380 N ARG B 72 -1.530 0.488 -8.277 1.00 0.70 N ATOM 2381 CA ARG B 72 -0.469 1.449 -8.532 1.00 0.85 C ATOM 2382 C ARG B 72 -0.582 1.981 -9.953 1.00 1.12 C ATOM 2383 O ARG B 72 -1.378 1.471 -10.742 1.00 1.44 O ATOM 2384 CB ARG B 72 0.900 0.801 -8.320 1.00 1.05 C ATOM 2385 CG ARG B 72 1.492 1.046 -6.943 1.00 1.32 C ATOM 2386 CD ARG B 72 1.831 2.513 -6.725 1.00 1.27 C ATOM 2387 NE ARG B 72 2.805 3.005 -7.696 1.00 1.61 N ATOM 2388 CZ ARG B 72 3.001 4.297 -7.961 1.00 2.00 C ATOM 2389 NH1 ARG B 72 2.264 5.225 -7.360 1.00 2.37 N ATOM 2390 NH2 ARG B 72 3.933 4.664 -8.827 1.00 2.67 N ATOM 0 H ARG B 72 -1.721 -0.142 -9.056 1.00 0.70 H new ATOM 0 HA ARG B 72 -0.572 2.278 -7.832 1.00 0.85 H new ATOM 0 HB2 ARG B 72 0.811 -0.273 -8.480 1.00 1.05 H new ATOM 0 HB3 ARG B 72 1.590 1.179 -9.074 1.00 1.05 H new ATOM 0 HG2 ARG B 72 0.785 0.719 -6.180 1.00 1.32 H new ATOM 0 HG3 ARG B 72 2.392 0.443 -6.822 1.00 1.32 H new ATOM 0 HD2 ARG B 72 0.920 3.108 -6.793 1.00 1.27 H new ATOM 0 HD3 ARG B 72 2.225 2.647 -5.718 1.00 1.27 H new ATOM 0 HE ARG B 72 3.368 2.320 -8.201 1.00 1.61 H new ATOM 0 HH11 ARG B 72 1.544 4.951 -6.692 1.00 2.37 H new ATOM 0 HH12 ARG B 72 2.419 6.212 -7.567 1.00 2.37 H new ATOM 0 HH21 ARG B 72 4.503 3.958 -9.293 1.00 2.67 H new ATOM 0 HH22 ARG B 72 4.081 5.653 -9.028 1.00 2.67 H new ATOM 2404 N LEU B 73 0.209 2.996 -10.275 1.00 1.43 N ATOM 2405 CA LEU B 73 0.185 3.589 -11.604 1.00 1.81 C ATOM 2406 C LEU B 73 1.462 4.379 -11.863 1.00 2.25 C ATOM 2407 O LEU B 73 1.898 5.163 -11.019 1.00 2.64 O ATOM 2408 CB LEU B 73 -1.031 4.508 -11.754 1.00 2.20 C ATOM 2409 CG LEU B 73 -1.188 5.165 -13.127 1.00 2.74 C ATOM 2410 CD1 LEU B 73 -1.607 4.139 -14.169 1.00 3.46 C ATOM 2411 CD2 LEU B 73 -2.196 6.300 -13.056 1.00 3.06 C ATOM 0 H LEU B 73 0.875 3.426 -9.633 1.00 1.43 H new ATOM 0 HA LEU B 73 0.116 2.783 -12.335 1.00 1.81 H new ATOM 0 HB2 LEU B 73 -1.931 3.931 -11.541 1.00 2.20 H new ATOM 0 HB3 LEU B 73 -0.969 5.292 -10.999 1.00 2.20 H new ATOM 0 HG LEU B 73 -0.224 5.577 -13.426 1.00 2.74 H new ATOM 0 HD11 LEU B 73 -1.713 4.627 -15.138 1.00 3.46 H new ATOM 0 HD12 LEU B 73 -0.849 3.359 -14.237 1.00 3.46 H new ATOM 0 HD13 LEU B 73 -2.560 3.695 -13.880 1.00 3.46 H new ATOM 0 HD21 LEU B 73 -2.298 6.758 -14.040 1.00 3.06 H new ATOM 0 HD22 LEU B 73 -3.162 5.909 -12.736 1.00 3.06 H new ATOM 0 HD23 LEU B 73 -1.852 7.048 -12.341 1.00 3.06 H new ATOM 2423 N ARG B 74 2.070 4.160 -13.019 1.00 2.57 N ATOM 2424 CA ARG B 74 3.281 4.872 -13.386 1.00 3.21 C ATOM 2425 C ARG B 74 2.921 6.268 -13.877 1.00 3.66 C ATOM 2426 O ARG B 74 2.558 6.461 -15.038 1.00 4.13 O ATOM 2427 CB ARG B 74 4.064 4.101 -14.458 1.00 3.52 C ATOM 2428 CG ARG B 74 5.322 4.815 -14.949 1.00 3.95 C ATOM 2429 CD ARG B 74 6.329 5.043 -13.828 1.00 3.89 C ATOM 2430 NE ARG B 74 6.410 6.455 -13.446 1.00 3.86 N ATOM 2431 CZ ARG B 74 6.040 6.933 -12.259 1.00 3.91 C ATOM 2432 NH1 ARG B 74 5.613 6.116 -11.306 1.00 3.94 N ATOM 2433 NH2 ARG B 74 6.103 8.233 -12.017 1.00 4.46 N ATOM 0 H ARG B 74 1.743 3.494 -13.719 1.00 2.57 H new ATOM 0 HA ARG B 74 3.921 4.959 -12.508 1.00 3.21 H new ATOM 0 HB2 ARG B 74 4.346 3.128 -14.057 1.00 3.52 H new ATOM 0 HB3 ARG B 74 3.408 3.917 -15.309 1.00 3.52 H new ATOM 0 HG2 ARG B 74 5.787 4.225 -15.739 1.00 3.95 H new ATOM 0 HG3 ARG B 74 5.046 5.774 -15.388 1.00 3.95 H new ATOM 0 HD2 ARG B 74 6.047 4.448 -12.960 1.00 3.89 H new ATOM 0 HD3 ARG B 74 7.312 4.696 -14.147 1.00 3.89 H new ATOM 0 HE ARG B 74 6.773 7.115 -14.134 1.00 3.86 H new ATOM 0 HH11 ARG B 74 5.566 5.112 -11.479 1.00 3.94 H new ATOM 0 HH12 ARG B 74 5.332 6.492 -10.400 1.00 3.94 H new ATOM 0 HH21 ARG B 74 6.435 8.871 -12.740 1.00 4.46 H new ATOM 0 HH22 ARG B 74 5.819 8.597 -11.107 1.00 4.46 H new ATOM 2447 N GLY B 75 2.984 7.225 -12.968 1.00 3.91 N ATOM 2448 CA GLY B 75 2.669 8.595 -13.296 1.00 4.54 C ATOM 2449 C GLY B 75 2.220 9.357 -12.071 1.00 4.82 C ATOM 2450 O GLY B 75 2.493 10.549 -11.930 1.00 5.30 O ATOM 0 H GLY B 75 3.252 7.073 -11.996 1.00 3.91 H new ATOM 0 HA2 GLY B 75 3.544 9.079 -13.729 1.00 4.54 H new ATOM 0 HA3 GLY B 75 1.884 8.620 -14.052 1.00 4.54 H new ATOM 2454 N GLY B 76 1.530 8.659 -11.184 1.00 4.83 N ATOM 2455 CA GLY B 76 1.049 9.267 -9.968 1.00 5.27 C ATOM 2456 C GLY B 76 -0.352 8.811 -9.638 1.00 5.46 C ATOM 2457 O GLY B 76 -1.070 9.544 -8.935 1.00 5.28 O ATOM 2458 OXT GLY B 76 -0.748 7.719 -10.093 1.00 6.13 O ATOM 0 H GLY B 76 1.294 7.672 -11.289 1.00 4.83 H new ATOM 0 HA2 GLY B 76 1.718 9.016 -9.145 1.00 5.27 H new ATOM 0 HA3 GLY B 76 1.065 10.352 -10.071 1.00 5.27 H new TER 2462 GLY B 76