USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 ASN : amide:sc= 1.05 K(o=2.3,f=-6.9!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 164:sc= 1.26 (180deg=-0.0426) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -164:sc= 0.806 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 140:sc= 0.71 USER MOD Set 3.1: A 7 THR OG1 : rot 129:sc= 1.36 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0624 USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00828) USER MOD Single : A 1 MET N :NH3+ 169:sc= 1.11 (180deg=0.848) USER MOD Single : A 2 GLN : amide:sc= -0.507 K(o=-0.51,f=-1.4) USER MOD Single : A 11 LYS NZ :NH3+ -150:sc= 1.29 (180deg=0.3) USER MOD Single : A 14 THR OG1 : rot -65:sc= 0.018 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 1.07 (180deg=0.952) USER MOD Single : A 31 GLN : amide:sc= -0.024 X(o=-0.024,f=-0.37) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00152 K(o=-0.0015,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= 0.0504 K(o=0.05,f=-6.5!) USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0067) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 60:sc= 0.882 USER MOD Single : A 60 ASN : amide:sc= -0.031 X(o=-0.031,f=-0.0016) USER MOD Single : A 62 GLN : amide:sc= -0.304 X(o=-0.3,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= 1.16 (180deg=0.795) USER MOD Single : A 65 SER OG : rot -122:sc= 0.186 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.455 X(o=-0.45,f=-0.083) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.862 -4.962 -4.491 1.00 0.78 N ATOM 2 CA MET A 1 12.579 -5.320 -3.083 1.00 0.70 C ATOM 3 C MET A 1 11.147 -5.660 -2.855 1.00 0.62 C ATOM 4 O MET A 1 10.250 -5.044 -3.427 1.00 0.68 O ATOM 5 CB MET A 1 13.130 -4.305 -2.066 1.00 0.75 C ATOM 6 CG MET A 1 12.241 -3.091 -1.789 1.00 0.79 C ATOM 7 SD MET A 1 12.769 -1.812 -0.609 1.00 1.10 S ATOM 8 CE MET A 1 11.267 -0.790 -0.635 1.00 0.84 C ATOM 0 H1 MET A 1 13.818 -4.558 -4.561 1.00 0.78 H new ATOM 0 H2 MET A 1 12.802 -5.814 -5.085 1.00 0.78 H new ATOM 0 H3 MET A 1 12.165 -4.263 -4.818 1.00 0.78 H new ATOM 0 HA MET A 1 13.140 -6.236 -2.896 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.309 -4.823 -1.124 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.097 -3.950 -2.423 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.066 -2.595 -2.744 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.278 -3.469 -1.445 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.407 0.079 0.008 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.070 -0.458 -1.655 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.422 -1.376 -0.275 1.00 0.84 H new ATOM 20 N GLN A 2 10.844 -6.620 -1.962 1.00 0.59 N ATOM 21 CA GLN A 2 9.507 -7.018 -1.652 1.00 0.56 C ATOM 22 C GLN A 2 9.014 -6.353 -0.413 1.00 0.50 C ATOM 23 O GLN A 2 9.724 -6.146 0.570 1.00 0.60 O ATOM 24 CB GLN A 2 9.178 -8.519 -1.730 1.00 0.71 C ATOM 25 CG GLN A 2 9.826 -9.437 -0.691 1.00 1.15 C ATOM 26 CD GLN A 2 11.339 -9.401 -0.527 1.00 1.30 C ATOM 27 OE1 GLN A 2 11.941 -8.642 0.231 1.00 1.87 O ATOM 28 NE2 GLN A 2 12.004 -10.354 -1.234 1.00 1.72 N ATOM 0 H GLN A 2 11.553 -7.135 -1.440 1.00 0.59 H new ATOM 0 HA GLN A 2 8.924 -6.644 -2.493 1.00 0.56 H new ATOM 0 HB2 GLN A 2 8.097 -8.631 -1.651 1.00 0.71 H new ATOM 0 HB3 GLN A 2 9.464 -8.876 -2.720 1.00 0.71 H new ATOM 0 HG2 GLN A 2 9.383 -9.205 0.277 1.00 1.15 H new ATOM 0 HG3 GLN A 2 9.544 -10.462 -0.933 1.00 1.15 H new ATOM 0 HE21 GLN A 2 11.491 -10.976 -1.859 1.00 1.72 H new ATOM 0 HE22 GLN A 2 13.015 -10.446 -1.139 1.00 1.72 H new ATOM 37 N ILE A 3 7.776 -5.852 -0.563 1.00 0.44 N ATOM 38 CA ILE A 3 6.929 -5.338 0.468 1.00 0.42 C ATOM 39 C ILE A 3 5.774 -6.277 0.474 1.00 0.40 C ATOM 40 O ILE A 3 5.524 -7.022 -0.473 1.00 0.50 O ATOM 41 CB ILE A 3 6.524 -3.898 0.352 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.810 -3.684 -0.994 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.764 -2.997 0.480 1.00 0.61 C ATOM 44 CD1 ILE A 3 4.861 -2.497 -1.149 1.00 0.72 C ATOM 0 H ILE A 3 7.332 -5.803 -1.480 1.00 0.44 H new ATOM 0 HA ILE A 3 7.469 -5.302 1.414 1.00 0.42 H new ATOM 0 HB ILE A 3 5.836 -3.634 1.155 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.577 -3.594 -1.763 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.243 -4.589 -1.213 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.465 -1.952 0.395 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.235 -3.162 1.449 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.472 -3.237 -0.313 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.444 -2.494 -2.156 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.053 -2.580 -0.422 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.408 -1.569 -0.980 1.00 0.72 H new ATOM 56 N PHE A 4 5.073 -6.278 1.622 1.00 0.37 N ATOM 57 CA PHE A 4 3.906 -7.037 1.951 1.00 0.38 C ATOM 58 C PHE A 4 2.774 -6.076 2.080 1.00 0.39 C ATOM 59 O PHE A 4 2.877 -5.021 2.702 1.00 0.60 O ATOM 60 CB PHE A 4 4.062 -7.912 3.207 1.00 0.45 C ATOM 61 CG PHE A 4 5.135 -8.929 3.020 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.143 -9.837 1.987 1.00 1.30 C ATOM 63 CD2 PHE A 4 6.069 -8.999 4.026 1.00 1.16 C ATOM 64 CE1 PHE A 4 6.119 -10.803 1.918 1.00 1.40 C ATOM 65 CE2 PHE A 4 7.089 -9.916 3.923 1.00 1.23 C ATOM 66 CZ PHE A 4 7.028 -10.883 2.946 1.00 0.85 C ATOM 0 H PHE A 4 5.356 -5.683 2.400 1.00 0.37 H new ATOM 0 HA PHE A 4 3.719 -7.756 1.153 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.298 -7.283 4.066 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.118 -8.411 3.427 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.378 -9.791 1.226 1.00 1.30 H new ATOM 0 HD2 PHE A 4 6.003 -8.345 4.883 1.00 1.16 H new ATOM 0 HE1 PHE A 4 6.170 -11.481 1.079 1.00 1.40 H new ATOM 0 HE2 PHE A 4 7.928 -9.877 4.601 1.00 1.23 H new ATOM 0 HZ PHE A 4 7.708 -11.721 2.988 1.00 0.85 H new ATOM 76 N VAL A 5 1.590 -6.426 1.547 1.00 0.35 N ATOM 77 CA VAL A 5 0.402 -5.647 1.707 1.00 0.35 C ATOM 78 C VAL A 5 -0.497 -6.588 2.434 1.00 0.35 C ATOM 79 O VAL A 5 -0.780 -7.662 1.905 1.00 0.46 O ATOM 80 CB VAL A 5 -0.211 -5.353 0.370 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.605 -4.751 0.612 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.709 -4.328 -0.316 1.00 0.56 C ATOM 0 H VAL A 5 1.455 -7.271 0.991 1.00 0.35 H new ATOM 0 HA VAL A 5 0.578 -4.695 2.208 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.314 -6.242 -0.252 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -2.076 -4.527 -0.345 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.220 -5.465 1.160 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.509 -3.834 1.193 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.307 -4.078 -1.298 1.00 0.56 H new ATOM 0 HG22 VAL A 5 0.766 -3.426 0.293 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.706 -4.753 -0.430 1.00 0.56 H new ATOM 92 N LYS A 6 -1.004 -6.195 3.615 1.00 0.36 N ATOM 93 CA LYS A 6 -1.946 -6.981 4.351 1.00 0.39 C ATOM 94 C LYS A 6 -3.275 -6.371 4.067 1.00 0.46 C ATOM 95 O LYS A 6 -3.601 -5.207 4.290 1.00 0.53 O ATOM 96 CB LYS A 6 -1.718 -6.968 5.872 1.00 0.54 C ATOM 97 CG LYS A 6 -2.565 -8.029 6.577 1.00 1.22 C ATOM 98 CD LYS A 6 -2.038 -9.465 6.541 1.00 1.37 C ATOM 99 CE LYS A 6 -0.586 -9.589 7.007 1.00 1.93 C ATOM 100 NZ LYS A 6 -0.150 -10.964 7.341 1.00 2.09 N ATOM 0 H LYS A 6 -0.756 -5.315 4.068 1.00 0.36 H new ATOM 0 HA LYS A 6 -1.854 -8.023 4.045 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.663 -7.144 6.084 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -1.963 -5.983 6.269 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -2.680 -7.735 7.620 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -3.560 -8.021 6.132 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -2.669 -10.092 7.171 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -2.120 -9.849 5.524 1.00 1.37 H new ATOM 0 HE2 LYS A 6 0.065 -9.198 6.225 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -0.447 -8.957 7.884 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 0.731 -10.925 7.893 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.888 -11.436 7.901 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 0.014 -11.499 6.464 1.00 2.09 H new ATOM 114 N THR A 7 -4.226 -7.211 3.619 1.00 0.58 N ATOM 115 CA THR A 7 -5.591 -6.831 3.424 1.00 0.78 C ATOM 116 C THR A 7 -6.514 -6.725 4.588 1.00 0.94 C ATOM 117 O THR A 7 -6.057 -6.616 5.724 1.00 0.99 O ATOM 118 CB THR A 7 -6.275 -7.602 2.334 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.471 -8.936 2.778 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.361 -7.745 1.106 1.00 0.92 C ATOM 0 H THR A 7 -4.039 -8.186 3.385 1.00 0.58 H new ATOM 0 HA THR A 7 -5.413 -5.793 3.144 1.00 0.78 H new ATOM 0 HB THR A 7 -7.199 -7.077 2.090 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.407 -9.192 2.641 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.880 -8.308 0.330 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.104 -6.756 0.727 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.450 -8.273 1.390 1.00 0.92 H new ATOM 128 N LEU A 8 -7.838 -6.713 4.354 1.00 1.17 N ATOM 129 CA LEU A 8 -8.737 -6.750 5.465 1.00 1.39 C ATOM 130 C LEU A 8 -9.073 -8.138 5.891 1.00 1.44 C ATOM 131 O LEU A 8 -9.230 -8.336 7.094 1.00 1.60 O ATOM 132 CB LEU A 8 -10.030 -6.040 5.029 1.00 1.66 C ATOM 133 CG LEU A 8 -9.945 -4.556 4.633 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.013 -4.171 3.596 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.916 -3.697 5.909 1.00 2.43 C ATOM 0 H LEU A 8 -8.274 -6.679 3.433 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.258 -6.263 6.314 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.441 -6.588 4.181 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.749 -6.127 5.844 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.012 -4.357 4.106 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.914 -3.114 3.347 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -10.878 -4.770 2.695 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -12.005 -4.355 4.009 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.856 -2.643 5.637 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.824 -3.871 6.486 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -9.047 -3.967 6.510 1.00 2.43 H new ATOM 147 N THR A 9 -9.175 -9.107 4.963 1.00 1.41 N ATOM 148 CA THR A 9 -9.355 -10.509 5.183 1.00 1.51 C ATOM 149 C THR A 9 -8.096 -11.019 5.796 1.00 1.37 C ATOM 150 O THR A 9 -8.191 -11.786 6.753 1.00 1.62 O ATOM 151 CB THR A 9 -9.708 -11.320 3.972 1.00 1.65 C ATOM 152 OG1 THR A 9 -8.806 -10.951 2.939 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.092 -10.900 3.450 1.00 2.08 C ATOM 0 H THR A 9 -9.127 -8.886 3.968 1.00 1.41 H new ATOM 0 HA THR A 9 -10.223 -10.624 5.832 1.00 1.51 H new ATOM 0 HB THR A 9 -9.679 -12.379 4.228 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.008 -11.465 2.129 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.344 -11.492 2.570 1.00 2.08 H new ATOM 0 HG22 THR A 9 -11.839 -11.067 4.226 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.075 -9.843 3.184 1.00 2.08 H new ATOM 161 N GLY A 10 -6.962 -10.409 5.407 1.00 1.18 N ATOM 162 CA GLY A 10 -5.661 -10.531 5.990 1.00 1.22 C ATOM 163 C GLY A 10 -4.804 -11.288 5.034 1.00 0.99 C ATOM 164 O GLY A 10 -3.870 -11.991 5.416 1.00 1.31 O ATOM 0 H GLY A 10 -6.957 -9.772 4.611 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.237 -9.547 6.187 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -5.718 -11.051 6.946 1.00 1.22 H new ATOM 168 N LYS A 11 -4.989 -11.100 3.715 1.00 0.73 N ATOM 169 CA LYS A 11 -4.235 -11.732 2.677 1.00 0.60 C ATOM 170 C LYS A 11 -2.989 -10.917 2.615 1.00 0.51 C ATOM 171 O LYS A 11 -3.003 -9.694 2.729 1.00 0.63 O ATOM 172 CB LYS A 11 -4.971 -11.640 1.330 1.00 0.75 C ATOM 173 CG LYS A 11 -4.467 -12.647 0.294 1.00 0.87 C ATOM 174 CD LYS A 11 -5.428 -12.907 -0.868 1.00 1.04 C ATOM 175 CE LYS A 11 -5.545 -11.697 -1.799 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.921 -12.042 -3.188 1.00 1.40 N ATOM 0 H LYS A 11 -5.706 -10.471 3.353 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.064 -12.791 2.871 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.036 -11.801 1.494 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -4.859 -10.632 0.931 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.520 -12.289 -0.109 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.262 -13.592 0.796 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -5.083 -13.770 -1.437 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.413 -13.158 -0.474 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -6.286 -11.009 -1.393 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.592 -11.168 -1.812 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.510 -11.345 -3.842 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.560 -12.989 -3.420 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.957 -12.034 -3.279 1.00 1.40 H new ATOM 190 N THR A 12 -1.863 -11.649 2.554 1.00 0.49 N ATOM 191 CA THR A 12 -0.546 -11.117 2.386 1.00 0.48 C ATOM 192 C THR A 12 -0.069 -11.092 0.974 1.00 0.52 C ATOM 193 O THR A 12 0.551 -12.075 0.571 1.00 0.72 O ATOM 194 CB THR A 12 0.548 -11.690 3.238 1.00 0.64 C ATOM 195 OG1 THR A 12 0.073 -11.747 4.575 1.00 0.77 O ATOM 196 CG2 THR A 12 1.659 -10.628 3.279 1.00 0.78 C ATOM 0 H THR A 12 -1.872 -12.666 2.626 1.00 0.49 H new ATOM 0 HA THR A 12 -0.723 -10.103 2.746 1.00 0.48 H new ATOM 0 HB THR A 12 0.869 -12.661 2.861 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.370 -12.582 4.992 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.487 -10.991 3.888 1.00 0.78 H new ATOM 0 HG22 THR A 12 2.012 -10.432 2.267 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.267 -9.707 3.711 1.00 0.78 H new ATOM 204 N ILE A 13 -0.295 -9.983 0.247 1.00 0.48 N ATOM 205 CA ILE A 13 0.006 -9.812 -1.141 1.00 0.55 C ATOM 206 C ILE A 13 1.406 -9.311 -1.217 1.00 0.51 C ATOM 207 O ILE A 13 1.829 -8.356 -0.565 1.00 0.56 O ATOM 208 CB ILE A 13 -0.839 -8.764 -1.802 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.315 -9.010 -1.447 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.618 -8.643 -3.319 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.298 -8.099 -2.181 1.00 1.55 C ATOM 0 H ILE A 13 -0.717 -9.150 0.658 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.167 -10.766 -1.639 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.526 -7.796 -1.411 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.562 -10.048 -1.671 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.446 -8.876 -0.373 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.266 -7.864 -3.720 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.423 -8.386 -3.516 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.854 -9.593 -3.798 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.316 -8.339 -1.873 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -3.081 -7.059 -1.938 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.200 -8.249 -3.256 1.00 1.55 H new ATOM 223 N THR A 14 2.281 -10.089 -1.879 1.00 0.55 N ATOM 224 CA THR A 14 3.676 -9.802 -2.008 1.00 0.54 C ATOM 225 C THR A 14 3.928 -8.995 -3.234 1.00 0.55 C ATOM 226 O THR A 14 3.609 -9.385 -4.357 1.00 0.72 O ATOM 227 CB THR A 14 4.468 -11.065 -2.167 1.00 0.67 C ATOM 228 OG1 THR A 14 4.310 -11.903 -1.031 1.00 1.08 O ATOM 229 CG2 THR A 14 5.989 -10.853 -2.255 1.00 1.03 C ATOM 0 H THR A 14 2.005 -10.954 -2.344 1.00 0.55 H new ATOM 0 HA THR A 14 3.974 -9.264 -1.108 1.00 0.54 H new ATOM 0 HB THR A 14 4.086 -11.492 -3.095 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.692 -11.462 -0.244 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.485 -11.817 -2.369 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.219 -10.223 -3.114 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.342 -10.369 -1.345 1.00 1.03 H new ATOM 237 N LEU A 15 4.609 -7.838 -3.155 1.00 0.50 N ATOM 238 CA LEU A 15 4.809 -6.957 -4.263 1.00 0.55 C ATOM 239 C LEU A 15 6.274 -6.691 -4.325 1.00 0.52 C ATOM 240 O LEU A 15 6.845 -6.411 -3.272 1.00 0.58 O ATOM 241 CB LEU A 15 4.133 -5.604 -3.988 1.00 0.69 C ATOM 242 CG LEU A 15 2.607 -5.632 -4.180 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.015 -4.246 -3.865 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.260 -6.056 -5.617 1.00 1.55 C ATOM 0 H LEU A 15 5.035 -7.505 -2.290 1.00 0.50 H new ATOM 0 HA LEU A 15 4.406 -7.399 -5.174 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.357 -5.295 -2.967 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.561 -4.851 -4.650 1.00 0.69 H new ATOM 0 HG LEU A 15 2.174 -6.360 -3.494 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.934 -4.272 -4.003 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.243 -3.979 -2.833 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.448 -3.504 -4.536 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.177 -6.072 -5.740 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.695 -5.346 -6.321 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.662 -7.051 -5.810 1.00 1.55 H new ATOM 256 N GLU A 16 6.901 -6.756 -5.513 1.00 0.59 N ATOM 257 CA GLU A 16 8.263 -6.340 -5.639 1.00 0.63 C ATOM 258 C GLU A 16 8.236 -4.948 -6.172 1.00 0.65 C ATOM 259 O GLU A 16 7.549 -4.645 -7.146 1.00 0.81 O ATOM 260 CB GLU A 16 9.081 -7.214 -6.603 1.00 0.76 C ATOM 261 CG GLU A 16 9.213 -8.673 -6.159 1.00 1.41 C ATOM 262 CD GLU A 16 10.151 -9.415 -7.101 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.053 -8.744 -7.669 1.00 1.95 O ATOM 264 OE2 GLU A 16 10.129 -10.671 -7.194 1.00 1.92 O ATOM 0 H GLU A 16 6.472 -7.092 -6.375 1.00 0.59 H new ATOM 0 HA GLU A 16 8.741 -6.421 -4.663 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.615 -7.185 -7.588 1.00 0.76 H new ATOM 0 HB3 GLU A 16 10.078 -6.785 -6.709 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.595 -8.719 -5.139 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.234 -9.152 -6.154 1.00 1.41 H new ATOM 271 N VAL A 17 9.019 -4.061 -5.532 1.00 0.61 N ATOM 272 CA VAL A 17 9.086 -2.650 -5.761 1.00 0.63 C ATOM 273 C VAL A 17 10.502 -2.195 -5.670 1.00 0.65 C ATOM 274 O VAL A 17 11.355 -2.988 -5.273 1.00 0.76 O ATOM 275 CB VAL A 17 8.315 -1.826 -4.773 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.799 -1.946 -5.012 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.660 -2.321 -3.358 1.00 0.92 C ATOM 0 H VAL A 17 9.658 -4.357 -4.794 1.00 0.61 H new ATOM 0 HA VAL A 17 8.649 -2.503 -6.749 1.00 0.63 H new ATOM 0 HB VAL A 17 8.587 -0.777 -4.890 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.266 -1.338 -4.281 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.560 -1.597 -6.017 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.496 -2.988 -4.908 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.109 -1.734 -2.623 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.386 -3.372 -3.263 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.730 -2.208 -3.184 1.00 0.92 H new ATOM 287 N GLU A 18 10.840 -0.984 -6.147 1.00 0.68 N ATOM 288 CA GLU A 18 12.039 -0.319 -5.741 1.00 0.74 C ATOM 289 C GLU A 18 11.774 0.865 -4.879 1.00 0.71 C ATOM 290 O GLU A 18 10.657 1.361 -5.023 1.00 0.74 O ATOM 291 CB GLU A 18 12.869 0.080 -6.973 1.00 0.88 C ATOM 292 CG GLU A 18 13.302 -1.164 -7.753 1.00 1.16 C ATOM 293 CD GLU A 18 14.226 -1.983 -6.865 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.377 -1.551 -6.589 1.00 2.35 O ATOM 295 OE2 GLU A 18 13.890 -3.173 -6.626 1.00 2.33 O ATOM 0 H GLU A 18 10.278 -0.462 -6.819 1.00 0.68 H new ATOM 0 HA GLU A 18 12.609 -1.024 -5.136 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.283 0.735 -7.618 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.747 0.644 -6.660 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.432 -1.753 -8.042 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.813 -0.878 -8.672 1.00 1.16 H new ATOM 302 N PRO A 19 12.560 1.360 -3.968 1.00 0.74 N ATOM 303 CA PRO A 19 12.165 2.301 -2.962 1.00 0.74 C ATOM 304 C PRO A 19 11.902 3.626 -3.589 1.00 0.70 C ATOM 305 O PRO A 19 11.241 4.451 -2.961 1.00 0.74 O ATOM 306 CB PRO A 19 13.326 2.258 -1.970 1.00 0.86 C ATOM 307 CG PRO A 19 14.475 1.978 -2.954 1.00 0.95 C ATOM 308 CD PRO A 19 13.912 0.841 -3.823 1.00 0.82 C ATOM 0 HA PRO A 19 11.231 2.078 -2.447 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.453 3.196 -1.430 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.212 1.473 -1.222 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.721 2.858 -3.549 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.386 1.678 -2.437 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.432 0.733 -4.775 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.946 -0.130 -3.330 1.00 0.82 H new ATOM 316 N SER A 20 12.307 3.925 -4.836 1.00 0.70 N ATOM 317 CA SER A 20 12.049 5.141 -5.542 1.00 0.74 C ATOM 318 C SER A 20 10.695 5.065 -6.159 1.00 0.71 C ATOM 319 O SER A 20 10.270 6.101 -6.666 1.00 0.80 O ATOM 320 CB SER A 20 13.046 5.447 -6.673 1.00 0.89 C ATOM 321 OG SER A 20 14.362 5.455 -6.140 1.00 1.45 O ATOM 0 H SER A 20 12.855 3.267 -5.390 1.00 0.70 H new ATOM 0 HA SER A 20 12.140 5.935 -4.801 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.963 4.698 -7.460 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.817 6.412 -7.126 1.00 0.89 H new ATOM 0 HG SER A 20 15.004 5.648 -6.855 1.00 1.45 H new ATOM 327 N ASP A 21 10.004 3.911 -6.181 1.00 0.70 N ATOM 328 CA ASP A 21 8.647 3.834 -6.626 1.00 0.73 C ATOM 329 C ASP A 21 7.710 4.555 -5.720 1.00 0.64 C ATOM 330 O ASP A 21 7.805 4.692 -4.501 1.00 0.66 O ATOM 331 CB ASP A 21 8.134 2.394 -6.789 1.00 0.87 C ATOM 332 CG ASP A 21 8.758 1.642 -7.956 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.620 2.095 -9.123 1.00 1.69 O ATOM 334 OD2 ASP A 21 9.325 0.548 -7.693 1.00 1.50 O ATOM 0 H ASP A 21 10.394 3.016 -5.885 1.00 0.70 H new ATOM 0 HA ASP A 21 8.664 4.314 -7.605 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.330 1.843 -5.869 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.052 2.418 -6.922 1.00 0.87 H new ATOM 339 N THR A 22 6.674 5.230 -6.248 1.00 0.63 N ATOM 340 CA THR A 22 5.820 6.027 -5.423 1.00 0.58 C ATOM 341 C THR A 22 4.780 5.172 -4.784 1.00 0.53 C ATOM 342 O THR A 22 4.509 4.035 -5.165 1.00 0.58 O ATOM 343 CB THR A 22 5.102 7.110 -6.172 1.00 0.63 C ATOM 344 OG1 THR A 22 4.715 6.678 -7.468 1.00 0.70 O ATOM 345 CG2 THR A 22 6.220 8.150 -6.357 1.00 0.75 C ATOM 0 H THR A 22 6.428 5.225 -7.238 1.00 0.63 H new ATOM 0 HA THR A 22 6.478 6.491 -4.688 1.00 0.58 H new ATOM 0 HB THR A 22 4.202 7.448 -5.657 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.248 7.406 -7.930 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.830 9.011 -6.899 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.584 8.470 -5.381 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.040 7.706 -6.922 1.00 0.75 H new ATOM 353 N ILE A 23 4.027 5.777 -3.848 1.00 0.51 N ATOM 354 CA ILE A 23 2.978 5.087 -3.164 1.00 0.48 C ATOM 355 C ILE A 23 1.799 4.942 -4.064 1.00 0.48 C ATOM 356 O ILE A 23 1.121 3.918 -4.118 1.00 0.51 O ATOM 357 CB ILE A 23 2.526 5.707 -1.875 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.630 5.768 -0.805 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.249 5.116 -1.250 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.277 4.444 -0.403 1.00 0.73 C ATOM 0 H ILE A 23 4.146 6.749 -3.564 1.00 0.51 H new ATOM 0 HA ILE A 23 3.411 4.123 -2.895 1.00 0.48 H new ATOM 0 HB ILE A 23 2.273 6.717 -2.198 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.415 6.434 -1.165 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.210 6.226 0.090 1.00 0.60 H new ATOM 0 HG21 ILE A 23 1.020 5.643 -0.323 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.418 5.228 -1.946 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.404 4.058 -1.037 1.00 0.61 H new ATOM 0 HD11 ILE A 23 5.037 4.626 0.357 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.516 3.774 -0.002 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.740 3.985 -1.277 1.00 0.73 H new ATOM 372 N GLU A 24 1.582 5.892 -4.991 1.00 0.50 N ATOM 373 CA GLU A 24 0.833 5.797 -6.204 1.00 0.53 C ATOM 374 C GLU A 24 1.052 4.594 -7.055 1.00 0.50 C ATOM 375 O GLU A 24 0.061 4.054 -7.544 1.00 0.55 O ATOM 376 CB GLU A 24 0.909 7.149 -6.934 1.00 0.64 C ATOM 377 CG GLU A 24 0.084 7.260 -8.218 1.00 0.95 C ATOM 378 CD GLU A 24 0.042 8.678 -8.771 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.147 9.214 -9.057 1.00 1.56 O ATOM 380 OE2 GLU A 24 -1.056 9.257 -8.980 1.00 1.62 O ATOM 0 H GLU A 24 1.975 6.826 -4.874 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.201 5.599 -5.922 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.584 7.930 -6.247 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.952 7.352 -7.176 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.502 6.593 -8.972 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.933 6.921 -8.021 1.00 0.95 H new ATOM 387 N ASN A 25 2.323 4.186 -7.223 1.00 0.51 N ATOM 388 CA ASN A 25 2.732 3.018 -7.941 1.00 0.52 C ATOM 389 C ASN A 25 2.314 1.780 -7.227 1.00 0.47 C ATOM 390 O ASN A 25 1.998 0.766 -7.848 1.00 0.53 O ATOM 391 CB ASN A 25 4.232 2.955 -8.273 1.00 0.64 C ATOM 392 CG ASN A 25 4.495 2.042 -9.463 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.823 0.862 -9.352 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.158 2.529 -10.687 1.00 1.57 N ATOM 0 H ASN A 25 3.112 4.703 -6.834 1.00 0.51 H new ATOM 0 HA ASN A 25 2.219 3.088 -8.900 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.601 3.957 -8.492 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.784 2.594 -7.405 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.179 1.917 -11.503 1.00 1.57 H new ATOM 0 HD22 ASN A 25 3.885 3.506 -10.789 1.00 1.57 H new ATOM 401 N VAL A 26 2.389 1.758 -5.885 1.00 0.45 N ATOM 402 CA VAL A 26 1.993 0.680 -5.032 1.00 0.44 C ATOM 403 C VAL A 26 0.545 0.334 -5.082 1.00 0.40 C ATOM 404 O VAL A 26 0.092 -0.806 -5.155 1.00 0.44 O ATOM 405 CB VAL A 26 2.466 0.957 -3.636 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.031 -0.168 -2.681 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.968 1.239 -3.463 1.00 0.62 C ATOM 0 H VAL A 26 2.753 2.552 -5.358 1.00 0.45 H new ATOM 0 HA VAL A 26 2.477 -0.219 -5.415 1.00 0.44 H new ATOM 0 HB VAL A 26 1.979 1.899 -3.382 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.384 0.053 -1.674 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.943 -0.241 -2.676 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.457 -1.114 -3.016 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.185 1.424 -2.411 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.542 0.378 -3.806 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.244 2.115 -4.050 1.00 0.62 H new ATOM 417 N LYS A 27 -0.264 1.395 -5.253 1.00 0.40 N ATOM 418 CA LYS A 27 -1.644 1.291 -5.611 1.00 0.41 C ATOM 419 C LYS A 27 -1.903 0.790 -6.990 1.00 0.38 C ATOM 420 O LYS A 27 -2.819 -0.006 -7.195 1.00 0.42 O ATOM 421 CB LYS A 27 -2.481 2.556 -5.354 1.00 0.51 C ATOM 422 CG LYS A 27 -2.524 3.017 -3.897 1.00 0.76 C ATOM 423 CD LYS A 27 -3.430 4.245 -3.785 1.00 0.82 C ATOM 424 CE LYS A 27 -3.485 4.974 -2.440 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.189 6.264 -2.616 1.00 1.11 N ATOM 0 H LYS A 27 0.054 2.357 -5.138 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.983 0.525 -4.914 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.083 3.367 -5.964 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.501 2.373 -5.692 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.898 2.215 -3.260 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.519 3.258 -3.549 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.115 4.963 -4.542 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.444 3.937 -4.040 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -4.002 4.361 -1.701 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.476 5.144 -2.063 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.275 6.741 -1.696 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.650 6.867 -3.270 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -5.138 6.091 -3.006 1.00 1.11 H new ATOM 439 N ALA A 28 -1.072 1.210 -7.961 1.00 0.39 N ATOM 440 CA ALA A 28 -1.095 0.629 -9.268 1.00 0.39 C ATOM 441 C ALA A 28 -0.693 -0.797 -9.418 1.00 0.36 C ATOM 442 O ALA A 28 -1.064 -1.472 -10.376 1.00 0.42 O ATOM 443 CB ALA A 28 -0.242 1.484 -10.221 1.00 0.51 C ATOM 0 H ALA A 28 -0.383 1.953 -7.841 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.157 0.624 -9.513 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.258 1.043 -11.218 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.648 2.495 -10.265 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.785 1.520 -9.857 1.00 0.51 H new ATOM 449 N LYS A 29 0.088 -1.353 -8.474 1.00 0.39 N ATOM 450 CA LYS A 29 0.461 -2.732 -8.403 1.00 0.43 C ATOM 451 C LYS A 29 -0.577 -3.554 -7.720 1.00 0.44 C ATOM 452 O LYS A 29 -0.798 -4.722 -8.031 1.00 0.54 O ATOM 453 CB LYS A 29 1.821 -2.857 -7.696 1.00 0.54 C ATOM 454 CG LYS A 29 3.009 -2.755 -8.654 1.00 0.65 C ATOM 455 CD LYS A 29 4.248 -2.553 -7.778 1.00 1.08 C ATOM 456 CE LYS A 29 5.536 -2.686 -8.592 1.00 1.24 C ATOM 457 NZ LYS A 29 5.579 -1.723 -9.715 1.00 1.44 N ATOM 0 H LYS A 29 0.484 -0.803 -7.712 1.00 0.39 H new ATOM 0 HA LYS A 29 0.547 -3.119 -9.418 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.904 -2.076 -6.940 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.865 -3.812 -7.173 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.102 -3.658 -9.257 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.881 -1.922 -9.345 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.210 -1.568 -7.313 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.248 -3.286 -6.971 1.00 1.08 H new ATOM 0 HE2 LYS A 29 6.395 -2.524 -7.941 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.617 -3.701 -8.981 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.553 -1.649 -10.072 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 4.954 -2.052 -10.479 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.260 -0.790 -9.385 1.00 1.44 H new ATOM 471 N ILE A 30 -1.321 -2.934 -6.786 1.00 0.41 N ATOM 472 CA ILE A 30 -2.478 -3.506 -6.172 1.00 0.44 C ATOM 473 C ILE A 30 -3.662 -3.630 -7.067 1.00 0.45 C ATOM 474 O ILE A 30 -4.409 -4.607 -7.093 1.00 0.56 O ATOM 475 CB ILE A 30 -2.934 -2.631 -5.042 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.906 -2.798 -3.911 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.310 -3.043 -4.495 1.00 0.56 C ATOM 478 CD1 ILE A 30 -2.096 -1.784 -2.784 1.00 1.32 C ATOM 0 H ILE A 30 -1.107 -1.997 -6.445 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.158 -4.502 -5.865 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.017 -1.606 -5.403 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.982 -3.806 -3.503 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.901 -2.695 -4.321 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.592 -2.377 -3.679 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.052 -2.977 -5.290 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.263 -4.068 -4.127 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.342 -1.950 -2.014 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.992 -0.774 -3.182 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -3.089 -1.903 -2.351 1.00 1.32 H new ATOM 490 N GLN A 31 -3.831 -2.601 -7.918 1.00 0.41 N ATOM 491 CA GLN A 31 -4.762 -2.490 -8.998 1.00 0.48 C ATOM 492 C GLN A 31 -4.435 -3.496 -10.047 1.00 0.52 C ATOM 493 O GLN A 31 -5.283 -4.128 -10.676 1.00 0.66 O ATOM 494 CB GLN A 31 -4.776 -1.027 -9.476 1.00 0.52 C ATOM 495 CG GLN A 31 -5.384 -0.836 -10.865 1.00 0.70 C ATOM 496 CD GLN A 31 -5.302 0.583 -11.411 1.00 0.97 C ATOM 497 OE1 GLN A 31 -6.303 1.272 -11.598 1.00 1.70 O ATOM 498 NE2 GLN A 31 -4.060 1.122 -11.548 1.00 1.43 N ATOM 0 H GLN A 31 -3.255 -1.763 -7.839 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.781 -2.724 -8.691 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.336 -0.426 -8.759 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.754 -0.647 -9.482 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -4.881 -1.507 -11.561 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.431 -1.137 -10.832 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -3.234 0.545 -11.391 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -3.956 2.103 -11.807 1.00 1.43 H new ATOM 507 N ASP A 32 -3.147 -3.687 -10.383 1.00 0.50 N ATOM 508 CA ASP A 32 -2.685 -4.722 -11.256 1.00 0.60 C ATOM 509 C ASP A 32 -3.044 -6.089 -10.784 1.00 0.65 C ATOM 510 O ASP A 32 -3.615 -6.852 -11.560 1.00 0.81 O ATOM 511 CB ASP A 32 -1.173 -4.609 -11.510 1.00 0.67 C ATOM 512 CG ASP A 32 -0.846 -5.410 -12.762 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.274 -4.931 -13.845 1.00 1.51 O ATOM 514 OD2 ASP A 32 -0.268 -6.529 -12.730 1.00 1.55 O ATOM 0 H ASP A 32 -2.395 -3.095 -10.031 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.206 -4.572 -12.202 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.885 -3.566 -11.639 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.613 -4.991 -10.656 1.00 0.67 H new ATOM 519 N LYS A 33 -2.743 -6.487 -9.535 1.00 0.62 N ATOM 520 CA LYS A 33 -2.943 -7.774 -8.945 1.00 0.73 C ATOM 521 C LYS A 33 -4.389 -8.121 -8.850 1.00 0.69 C ATOM 522 O LYS A 33 -4.988 -9.011 -9.450 1.00 0.83 O ATOM 523 CB LYS A 33 -2.438 -7.739 -7.493 1.00 0.85 C ATOM 524 CG LYS A 33 -0.933 -8.014 -7.542 1.00 1.31 C ATOM 525 CD LYS A 33 -0.710 -9.526 -7.617 1.00 1.71 C ATOM 526 CE LYS A 33 0.744 -9.909 -7.896 1.00 2.26 C ATOM 527 NZ LYS A 33 0.874 -11.382 -7.963 1.00 2.62 N ATOM 0 H LYS A 33 -2.316 -5.839 -8.873 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.417 -8.497 -9.569 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.639 -6.770 -7.037 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.948 -8.488 -6.888 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.488 -7.523 -8.408 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.445 -7.604 -6.658 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -1.024 -9.980 -6.677 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -1.345 -9.942 -8.400 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.073 -9.463 -8.835 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.390 -9.514 -7.112 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 1.865 -11.635 -8.153 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 0.578 -11.798 -7.057 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.271 -11.749 -8.726 1.00 2.62 H new ATOM 541 N GLU A 34 -5.018 -7.302 -7.987 1.00 0.63 N ATOM 542 CA GLU A 34 -6.374 -7.544 -7.602 1.00 0.67 C ATOM 543 C GLU A 34 -7.360 -6.875 -8.496 1.00 0.69 C ATOM 544 O GLU A 34 -8.356 -7.450 -8.933 1.00 0.95 O ATOM 545 CB GLU A 34 -6.594 -7.003 -6.180 1.00 0.73 C ATOM 546 CG GLU A 34 -6.007 -7.862 -5.057 1.00 0.83 C ATOM 547 CD GLU A 34 -6.451 -9.317 -5.045 1.00 0.95 C ATOM 548 OE1 GLU A 34 -7.684 -9.535 -4.900 1.00 1.37 O ATOM 549 OE2 GLU A 34 -5.611 -10.256 -5.083 1.00 1.48 O ATOM 0 H GLU A 34 -4.592 -6.480 -7.559 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.533 -8.621 -7.664 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.160 -6.005 -6.117 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.665 -6.896 -6.011 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.920 -7.833 -5.131 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -6.274 -7.411 -4.101 1.00 0.83 H new ATOM 556 N GLY A 35 -7.089 -5.599 -8.826 1.00 0.63 N ATOM 557 CA GLY A 35 -7.949 -4.795 -9.638 1.00 0.68 C ATOM 558 C GLY A 35 -8.611 -3.625 -8.996 1.00 0.76 C ATOM 559 O GLY A 35 -9.538 -3.021 -9.534 1.00 1.12 O ATOM 0 H GLY A 35 -6.247 -5.113 -8.519 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.367 -4.429 -10.483 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.728 -5.441 -10.043 1.00 0.68 H new ATOM 563 N ILE A 36 -8.350 -3.387 -7.698 1.00 0.70 N ATOM 564 CA ILE A 36 -8.949 -2.356 -6.910 1.00 0.76 C ATOM 565 C ILE A 36 -8.439 -1.058 -7.431 1.00 0.71 C ATOM 566 O ILE A 36 -7.224 -0.868 -7.461 1.00 0.73 O ATOM 567 CB ILE A 36 -8.628 -2.404 -5.446 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.928 -3.801 -4.874 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.419 -1.308 -4.711 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.777 -4.359 -4.038 1.00 1.16 C ATOM 0 H ILE A 36 -7.682 -3.947 -7.169 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.028 -2.487 -6.993 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.564 -2.216 -5.300 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.827 -3.751 -4.259 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -9.141 -4.486 -5.694 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.186 -1.343 -3.647 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.145 -0.332 -5.111 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.487 -1.472 -4.854 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.046 -5.346 -3.661 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.883 -4.438 -4.657 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -7.580 -3.692 -3.199 1.00 1.16 H new ATOM 582 N PRO A 37 -9.136 -0.068 -7.907 1.00 0.75 N ATOM 583 CA PRO A 37 -8.602 1.140 -8.466 1.00 0.79 C ATOM 584 C PRO A 37 -7.929 1.984 -7.439 1.00 0.75 C ATOM 585 O PRO A 37 -8.100 1.712 -6.251 1.00 0.75 O ATOM 586 CB PRO A 37 -9.825 1.913 -8.956 1.00 0.95 C ATOM 587 CG PRO A 37 -10.876 0.861 -9.343 1.00 1.02 C ATOM 588 CD PRO A 37 -10.551 -0.154 -8.236 1.00 0.85 C ATOM 0 HA PRO A 37 -7.868 0.906 -9.237 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.205 2.573 -8.177 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.571 2.541 -9.810 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.898 1.237 -9.293 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.733 0.461 -10.347 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.155 0.049 -7.352 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.799 -1.163 -8.567 1.00 0.85 H new ATOM 596 N PRO A 38 -7.133 2.961 -7.759 1.00 0.81 N ATOM 597 CA PRO A 38 -6.373 3.757 -6.841 1.00 0.85 C ATOM 598 C PRO A 38 -7.221 4.621 -5.973 1.00 0.89 C ATOM 599 O PRO A 38 -6.904 4.760 -4.792 1.00 0.99 O ATOM 600 CB PRO A 38 -5.493 4.693 -7.668 1.00 1.01 C ATOM 601 CG PRO A 38 -6.144 4.637 -9.059 1.00 1.25 C ATOM 602 CD PRO A 38 -6.668 3.193 -9.118 1.00 0.98 C ATOM 0 HA PRO A 38 -5.813 3.076 -6.200 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.489 5.705 -7.264 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.457 4.356 -7.693 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -6.948 5.366 -9.161 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -5.426 4.842 -9.853 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.473 3.085 -9.845 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -5.885 2.490 -9.403 1.00 0.98 H new ATOM 610 N ASP A 39 -8.329 5.079 -6.582 1.00 0.96 N ATOM 611 CA ASP A 39 -9.393 5.821 -5.981 1.00 1.11 C ATOM 612 C ASP A 39 -9.835 5.294 -4.660 1.00 1.00 C ATOM 613 O ASP A 39 -10.094 5.956 -3.655 1.00 1.14 O ATOM 614 CB ASP A 39 -10.631 5.827 -6.894 1.00 1.39 C ATOM 615 CG ASP A 39 -10.262 6.325 -8.284 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.793 5.564 -9.171 1.00 2.23 O ATOM 617 OD2 ASP A 39 -10.293 7.581 -8.391 1.00 2.25 O ATOM 0 H ASP A 39 -8.492 4.916 -7.576 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.982 6.820 -5.835 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -11.047 4.822 -6.959 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -11.404 6.465 -6.465 1.00 1.39 H new ATOM 622 N GLN A 40 -10.071 3.970 -4.626 1.00 0.87 N ATOM 623 CA GLN A 40 -10.681 3.343 -3.494 1.00 0.84 C ATOM 624 C GLN A 40 -9.764 2.981 -2.376 1.00 0.67 C ATOM 625 O GLN A 40 -10.248 2.621 -1.305 1.00 0.80 O ATOM 626 CB GLN A 40 -11.499 2.109 -3.913 1.00 0.95 C ATOM 627 CG GLN A 40 -12.419 2.361 -5.109 1.00 1.32 C ATOM 628 CD GLN A 40 -13.105 1.070 -5.529 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.711 -0.047 -5.198 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.157 1.209 -6.380 1.00 2.02 N ATOM 0 H GLN A 40 -9.838 3.331 -5.386 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.333 4.119 -3.093 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.815 1.296 -4.156 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -12.100 1.777 -3.066 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.167 3.110 -4.850 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -11.842 2.762 -5.942 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.476 2.140 -6.648 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.627 0.382 -6.750 1.00 2.02 H new ATOM 639 N GLN A 41 -8.450 2.943 -2.659 1.00 0.56 N ATOM 640 CA GLN A 41 -7.417 2.414 -1.825 1.00 0.51 C ATOM 641 C GLN A 41 -6.939 3.432 -0.847 1.00 0.49 C ATOM 642 O GLN A 41 -6.799 4.577 -1.273 1.00 0.65 O ATOM 643 CB GLN A 41 -6.152 2.013 -2.605 1.00 0.67 C ATOM 644 CG GLN A 41 -6.463 0.820 -3.510 1.00 0.69 C ATOM 645 CD GLN A 41 -5.197 0.423 -4.254 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.147 0.371 -3.615 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.228 0.105 -5.575 1.00 0.61 N ATOM 0 H GLN A 41 -8.084 3.310 -3.537 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.876 1.547 -1.350 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.800 2.854 -3.203 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.351 1.757 -1.912 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.830 -0.018 -2.917 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.251 1.079 -4.218 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.107 0.153 -6.091 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.373 -0.182 -6.051 1.00 0.61 H new ATOM 656 N ARG A 42 -6.766 3.101 0.445 1.00 0.47 N ATOM 657 CA ARG A 42 -6.108 3.805 1.502 1.00 0.55 C ATOM 658 C ARG A 42 -5.013 2.947 2.035 1.00 0.46 C ATOM 659 O ARG A 42 -5.205 1.893 2.640 1.00 0.52 O ATOM 660 CB ARG A 42 -6.993 4.051 2.736 1.00 0.73 C ATOM 661 CG ARG A 42 -8.001 5.192 2.588 1.00 1.04 C ATOM 662 CD ARG A 42 -8.988 5.369 3.742 1.00 1.28 C ATOM 663 NE ARG A 42 -9.808 6.523 3.275 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.935 7.016 3.868 1.00 2.19 C ATOM 665 NH1 ARG A 42 -11.443 6.455 5.004 1.00 2.34 N ATOM 666 NH2 ARG A 42 -11.523 8.090 3.264 1.00 2.78 N ATOM 0 H ARG A 42 -7.141 2.217 0.790 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.795 4.752 1.063 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.535 3.134 2.965 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.350 4.262 3.590 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.449 6.124 2.462 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.569 5.032 1.672 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.593 4.477 3.902 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.481 5.583 4.683 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.495 6.993 2.425 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.979 5.651 5.427 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -12.286 6.840 5.430 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -11.118 8.482 2.414 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -12.367 8.500 3.663 1.00 2.78 H new ATOM 680 N LEU A 43 -3.757 3.393 1.859 1.00 0.46 N ATOM 681 CA LEU A 43 -2.605 2.756 2.419 1.00 0.42 C ATOM 682 C LEU A 43 -2.278 3.261 3.782 1.00 0.43 C ATOM 683 O LEU A 43 -1.949 4.429 3.978 1.00 0.55 O ATOM 684 CB LEU A 43 -1.489 2.808 1.362 1.00 0.55 C ATOM 685 CG LEU A 43 -1.783 1.932 0.133 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.711 2.062 -0.962 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.970 0.431 0.411 1.00 1.12 C ATOM 0 H LEU A 43 -3.535 4.223 1.310 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.785 1.702 2.630 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.349 3.840 1.040 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.552 2.485 1.815 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.740 2.333 -0.201 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.972 1.421 -1.804 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.657 3.098 -1.297 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.257 1.759 -0.562 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.172 -0.090 -0.525 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.063 0.029 0.862 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.808 0.289 1.094 1.00 1.12 H new ATOM 699 N ILE A 44 -2.339 2.390 4.806 1.00 0.42 N ATOM 700 CA ILE A 44 -2.086 2.729 6.171 1.00 0.46 C ATOM 701 C ILE A 44 -0.751 2.117 6.417 1.00 0.42 C ATOM 702 O ILE A 44 -0.500 0.981 6.019 1.00 0.53 O ATOM 703 CB ILE A 44 -3.107 2.241 7.156 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.550 2.553 6.726 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.742 2.799 8.542 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.746 4.036 6.414 1.00 1.27 C ATOM 0 H ILE A 44 -2.575 1.406 4.676 1.00 0.42 H new ATOM 0 HA ILE A 44 -2.129 3.808 6.319 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.082 1.152 7.199 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.802 1.961 5.846 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -5.237 2.255 7.518 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.472 2.457 9.276 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.750 2.448 8.826 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.745 3.888 8.508 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.779 4.211 6.115 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.520 4.627 7.301 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.079 4.329 5.603 1.00 1.27 H new ATOM 718 N PHE A 45 0.122 2.806 7.175 1.00 0.42 N ATOM 719 CA PHE A 45 1.394 2.286 7.572 1.00 0.46 C ATOM 720 C PHE A 45 1.374 2.609 9.026 1.00 0.68 C ATOM 721 O PHE A 45 1.693 3.726 9.432 1.00 1.50 O ATOM 722 CB PHE A 45 2.520 2.855 6.691 1.00 0.56 C ATOM 723 CG PHE A 45 3.832 2.180 6.904 1.00 0.64 C ATOM 724 CD1 PHE A 45 3.924 0.845 6.586 1.00 1.19 C ATOM 725 CD2 PHE A 45 4.955 2.807 7.388 1.00 1.08 C ATOM 726 CE1 PHE A 45 5.137 0.200 6.631 1.00 1.33 C ATOM 727 CE2 PHE A 45 6.166 2.169 7.521 1.00 1.20 C ATOM 728 CZ PHE A 45 6.255 0.877 7.061 1.00 1.02 C ATOM 0 H PHE A 45 -0.061 3.748 7.520 1.00 0.42 H new ATOM 0 HA PHE A 45 1.585 1.222 7.431 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.236 2.759 5.643 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.629 3.920 6.896 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.037 0.300 6.299 1.00 1.19 H new ATOM 0 HD2 PHE A 45 4.883 3.845 7.676 1.00 1.08 H new ATOM 0 HE1 PHE A 45 5.212 -0.834 6.330 1.00 1.33 H new ATOM 0 HE2 PHE A 45 7.014 2.664 7.970 1.00 1.20 H new ATOM 0 HZ PHE A 45 7.217 0.386 7.037 1.00 1.02 H new ATOM 738 N ALA A 46 1.001 1.589 9.819 1.00 0.81 N ATOM 739 CA ALA A 46 0.876 1.605 11.244 1.00 0.96 C ATOM 740 C ALA A 46 -0.428 2.254 11.556 1.00 0.97 C ATOM 741 O ALA A 46 -1.445 1.579 11.708 1.00 1.21 O ATOM 742 CB ALA A 46 2.192 2.024 11.921 1.00 1.20 C ATOM 0 H ALA A 46 0.767 0.676 9.429 1.00 0.81 H new ATOM 0 HA ALA A 46 0.782 0.633 11.727 1.00 0.96 H new ATOM 0 HB1 ALA A 46 2.060 2.025 13.003 1.00 1.20 H new ATOM 0 HB2 ALA A 46 2.980 1.320 11.652 1.00 1.20 H new ATOM 0 HB3 ALA A 46 2.470 3.024 11.588 1.00 1.20 H new ATOM 748 N GLY A 47 -0.376 3.595 11.638 1.00 0.99 N ATOM 749 CA GLY A 47 -1.426 4.512 11.956 1.00 1.10 C ATOM 750 C GLY A 47 -1.402 5.693 11.049 1.00 1.03 C ATOM 751 O GLY A 47 -2.345 6.479 11.118 1.00 1.30 O ATOM 0 H GLY A 47 0.499 4.088 11.462 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -2.389 4.008 11.876 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -1.324 4.842 12.990 1.00 1.10 H new ATOM 755 N LYS A 48 -0.407 5.880 10.163 1.00 0.98 N ATOM 756 CA LYS A 48 -0.208 6.979 9.269 1.00 1.05 C ATOM 757 C LYS A 48 -0.833 6.659 7.955 1.00 0.84 C ATOM 758 O LYS A 48 -0.739 5.565 7.402 1.00 0.81 O ATOM 759 CB LYS A 48 1.270 7.250 8.943 1.00 1.42 C ATOM 760 CG LYS A 48 1.520 8.693 8.503 1.00 1.61 C ATOM 761 CD LYS A 48 3.007 8.960 8.259 1.00 1.87 C ATOM 762 CE LYS A 48 3.794 9.318 9.522 1.00 2.22 C ATOM 763 NZ LYS A 48 3.451 10.595 10.187 1.00 2.55 N ATOM 0 H LYS A 48 0.335 5.187 10.065 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.640 7.844 9.772 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.878 7.031 9.821 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.594 6.572 8.154 1.00 1.42 H new ATOM 0 HG2 LYS A 48 0.959 8.898 7.591 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.148 9.376 9.267 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.454 8.076 7.804 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.106 9.773 7.540 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.660 8.513 10.244 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.853 9.343 9.266 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 4.086 10.746 10.997 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 3.559 11.378 9.511 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 2.467 10.559 10.521 1.00 2.55 H new ATOM 777 N GLN A 49 -1.614 7.657 7.503 1.00 0.84 N ATOM 778 CA GLN A 49 -2.247 7.637 6.220 1.00 0.80 C ATOM 779 C GLN A 49 -1.296 8.061 5.155 1.00 0.72 C ATOM 780 O GLN A 49 -0.624 9.088 5.235 1.00 0.83 O ATOM 781 CB GLN A 49 -3.460 8.574 6.104 1.00 1.03 C ATOM 782 CG GLN A 49 -4.285 8.598 4.816 1.00 1.67 C ATOM 783 CD GLN A 49 -4.940 7.274 4.447 1.00 1.92 C ATOM 784 OE1 GLN A 49 -5.940 6.958 5.090 1.00 2.24 O ATOM 785 NE2 GLN A 49 -4.229 6.508 3.578 1.00 2.48 N ATOM 0 H GLN A 49 -1.811 8.500 8.043 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.578 6.606 6.099 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.139 8.328 6.920 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.104 9.589 6.281 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -5.062 9.356 4.914 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -3.639 8.908 3.994 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -3.412 6.896 3.107 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -4.513 5.545 3.397 1.00 2.48 H new ATOM 794 N LEU A 50 -0.906 7.194 4.203 1.00 0.69 N ATOM 795 CA LEU A 50 0.094 7.554 3.245 1.00 0.66 C ATOM 796 C LEU A 50 -0.471 8.322 2.101 1.00 0.72 C ATOM 797 O LEU A 50 -1.603 8.076 1.686 1.00 0.90 O ATOM 798 CB LEU A 50 0.863 6.354 2.669 1.00 0.65 C ATOM 799 CG LEU A 50 1.437 5.383 3.713 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.338 4.337 3.036 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.302 6.024 4.812 1.00 0.74 C ATOM 0 H LEU A 50 -1.279 6.251 4.096 1.00 0.69 H new ATOM 0 HA LEU A 50 0.788 8.174 3.813 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.197 5.799 2.008 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.682 6.728 2.055 1.00 0.65 H new ATOM 0 HG LEU A 50 0.547 4.960 4.179 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.736 3.657 3.789 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.756 3.771 2.309 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.162 4.840 2.529 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.655 5.251 5.494 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.157 6.524 4.357 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.708 6.752 5.365 1.00 0.74 H new ATOM 813 N GLU A 51 0.281 9.248 1.477 1.00 0.70 N ATOM 814 CA GLU A 51 -0.062 9.960 0.286 1.00 0.76 C ATOM 815 C GLU A 51 0.583 9.407 -0.937 1.00 0.77 C ATOM 816 O GLU A 51 1.669 8.828 -0.938 1.00 1.23 O ATOM 817 CB GLU A 51 0.305 11.448 0.411 1.00 0.88 C ATOM 818 CG GLU A 51 -0.479 12.028 1.589 1.00 1.35 C ATOM 819 CD GLU A 51 -0.367 13.545 1.648 1.00 1.46 C ATOM 820 OE1 GLU A 51 0.594 14.085 2.258 1.00 1.89 O ATOM 821 OE2 GLU A 51 -1.230 14.256 1.066 1.00 1.94 O ATOM 0 H GLU A 51 1.198 9.517 1.834 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.140 9.844 0.176 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.377 11.564 0.572 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.061 11.980 -0.509 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.528 11.744 1.503 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.107 11.599 2.520 1.00 1.35 H new ATOM 828 N ASP A 52 -0.101 9.539 -2.087 1.00 0.66 N ATOM 829 CA ASP A 52 0.127 8.960 -3.375 1.00 0.65 C ATOM 830 C ASP A 52 1.437 9.370 -3.953 1.00 0.60 C ATOM 831 O ASP A 52 2.235 8.533 -4.372 1.00 0.62 O ATOM 832 CB ASP A 52 -0.975 9.450 -4.328 1.00 0.81 C ATOM 833 CG ASP A 52 -2.328 9.079 -3.739 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.817 7.934 -3.939 1.00 1.56 O ATOM 835 OD2 ASP A 52 -2.906 10.017 -3.129 1.00 1.44 O ATOM 0 H ASP A 52 -0.928 10.136 -2.111 1.00 0.66 H new ATOM 0 HA ASP A 52 0.123 7.876 -3.258 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -0.905 10.529 -4.464 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.854 8.996 -5.312 1.00 0.81 H new ATOM 840 N GLY A 53 1.687 10.669 -4.197 1.00 0.68 N ATOM 841 CA GLY A 53 2.929 11.262 -4.590 1.00 0.73 C ATOM 842 C GLY A 53 4.113 11.301 -3.687 1.00 0.72 C ATOM 843 O GLY A 53 5.027 12.109 -3.846 1.00 0.97 O ATOM 0 H GLY A 53 0.949 11.368 -4.111 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.246 10.751 -5.499 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.710 12.294 -4.864 1.00 0.73 H new ATOM 847 N ARG A 54 4.157 10.423 -2.668 1.00 0.64 N ATOM 848 CA ARG A 54 5.308 10.135 -1.870 1.00 0.63 C ATOM 849 C ARG A 54 5.895 8.795 -2.155 1.00 0.59 C ATOM 850 O ARG A 54 5.186 7.949 -2.696 1.00 0.62 O ATOM 851 CB ARG A 54 5.107 10.184 -0.345 1.00 0.69 C ATOM 852 CG ARG A 54 4.710 11.602 0.072 1.00 0.82 C ATOM 853 CD ARG A 54 5.878 12.565 0.293 1.00 1.18 C ATOM 854 NE ARG A 54 5.208 13.784 0.824 1.00 1.50 N ATOM 855 CZ ARG A 54 5.799 14.846 1.444 1.00 2.00 C ATOM 856 NH1 ARG A 54 7.150 15.037 1.494 1.00 2.48 N ATOM 857 NH2 ARG A 54 5.036 15.940 1.739 1.00 2.49 N ATOM 0 H ARG A 54 3.339 9.883 -2.385 1.00 0.64 H new ATOM 0 HA ARG A 54 5.970 10.949 -2.165 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.334 9.476 -0.046 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.025 9.887 0.163 1.00 0.69 H new ATOM 0 HG2 ARG A 54 4.055 12.019 -0.693 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.128 11.544 0.992 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.605 12.163 0.999 1.00 1.18 H new ATOM 0 HD3 ARG A 54 6.414 12.770 -0.634 1.00 1.18 H new ATOM 0 HE ARG A 54 4.195 13.830 0.712 1.00 1.50 H new ATOM 0 HH11 ARG A 54 7.777 14.365 1.052 1.00 2.48 H new ATOM 0 HH12 ARG A 54 7.532 15.852 1.973 1.00 2.48 H new ATOM 0 HH21 ARG A 54 4.045 15.951 1.496 1.00 2.49 H new ATOM 0 HH22 ARG A 54 5.457 16.745 2.202 1.00 2.49 H new ATOM 871 N THR A 55 7.200 8.573 -1.917 1.00 0.63 N ATOM 872 CA THR A 55 7.844 7.312 -2.119 1.00 0.61 C ATOM 873 C THR A 55 7.969 6.377 -0.966 1.00 0.59 C ATOM 874 O THR A 55 7.681 6.676 0.192 1.00 0.64 O ATOM 875 CB THR A 55 9.217 7.439 -2.711 1.00 0.68 C ATOM 876 OG1 THR A 55 10.165 8.049 -1.847 1.00 0.75 O ATOM 877 CG2 THR A 55 9.037 8.210 -4.030 1.00 0.76 C ATOM 0 H THR A 55 7.829 9.297 -1.572 1.00 0.63 H new ATOM 0 HA THR A 55 7.122 6.867 -2.804 1.00 0.61 H new ATOM 0 HB THR A 55 9.643 6.450 -2.881 1.00 0.68 H new ATOM 0 HG1 THR A 55 11.034 8.097 -2.297 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.006 8.336 -4.513 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.373 7.652 -4.690 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.604 9.189 -3.823 1.00 0.76 H new ATOM 885 N LEU A 56 8.359 5.124 -1.257 1.00 0.58 N ATOM 886 CA LEU A 56 8.636 4.154 -0.243 1.00 0.59 C ATOM 887 C LEU A 56 9.784 4.607 0.593 1.00 0.64 C ATOM 888 O LEU A 56 9.678 4.454 1.808 1.00 0.70 O ATOM 889 CB LEU A 56 8.980 2.857 -0.995 1.00 0.60 C ATOM 890 CG LEU A 56 7.765 2.243 -1.710 1.00 0.63 C ATOM 891 CD1 LEU A 56 8.256 1.216 -2.745 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.825 1.489 -0.755 1.00 1.03 C ATOM 0 H LEU A 56 8.484 4.779 -2.209 1.00 0.58 H new ATOM 0 HA LEU A 56 7.791 4.007 0.430 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.761 3.063 -1.727 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.387 2.131 -0.291 1.00 0.60 H new ATOM 0 HG LEU A 56 7.221 3.072 -2.162 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.399 0.776 -3.256 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.898 1.712 -3.473 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.819 0.431 -2.240 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.987 1.078 -1.318 1.00 1.03 H new ATOM 0 HD22 LEU A 56 7.370 0.678 -0.273 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.450 2.176 0.004 1.00 1.03 H new ATOM 904 N SER A 57 10.867 5.149 0.007 1.00 0.68 N ATOM 905 CA SER A 57 11.977 5.715 0.707 1.00 0.75 C ATOM 906 C SER A 57 11.763 6.801 1.706 1.00 0.76 C ATOM 907 O SER A 57 12.299 6.759 2.812 1.00 0.84 O ATOM 908 CB SER A 57 13.043 6.213 -0.284 1.00 0.84 C ATOM 909 OG SER A 57 14.337 6.305 0.295 1.00 1.19 O ATOM 0 H SER A 57 10.973 5.194 -1.007 1.00 0.68 H new ATOM 0 HA SER A 57 12.274 4.859 1.313 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.080 5.538 -1.139 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.750 7.192 -0.663 1.00 0.84 H new ATOM 0 HG SER A 57 14.974 6.624 -0.378 1.00 1.19 H new ATOM 915 N ASP A 58 10.903 7.762 1.325 1.00 0.75 N ATOM 916 CA ASP A 58 10.459 8.899 2.069 1.00 0.78 C ATOM 917 C ASP A 58 9.893 8.485 3.384 1.00 0.77 C ATOM 918 O ASP A 58 10.230 9.086 4.403 1.00 0.86 O ATOM 919 CB ASP A 58 9.317 9.662 1.377 1.00 0.83 C ATOM 920 CG ASP A 58 9.794 10.264 0.063 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.987 10.638 -0.099 1.00 1.86 O ATOM 922 OD2 ASP A 58 8.954 10.334 -0.873 1.00 1.90 O ATOM 0 H ASP A 58 10.476 7.737 0.399 1.00 0.75 H new ATOM 0 HA ASP A 58 11.344 9.528 2.165 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.481 8.987 1.192 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.950 10.451 2.033 1.00 0.83 H new ATOM 927 N TYR A 59 9.097 7.401 3.404 1.00 0.72 N ATOM 928 CA TYR A 59 8.488 6.949 4.615 1.00 0.73 C ATOM 929 C TYR A 59 9.231 5.881 5.341 1.00 0.76 C ATOM 930 O TYR A 59 8.733 5.336 6.326 1.00 0.89 O ATOM 931 CB TYR A 59 7.068 6.485 4.247 1.00 0.73 C ATOM 932 CG TYR A 59 6.040 7.480 3.832 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.812 8.648 4.521 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.189 7.082 2.828 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.706 9.407 4.219 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.191 7.965 2.489 1.00 0.70 C ATOM 937 CZ TYR A 59 3.849 9.098 3.189 1.00 0.74 C ATOM 938 OH TYR A 59 2.694 9.838 2.858 1.00 0.86 O ATOM 0 H TYR A 59 8.876 6.839 2.582 1.00 0.72 H new ATOM 0 HA TYR A 59 8.486 7.778 5.323 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.164 5.762 3.437 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.670 5.948 5.108 1.00 0.73 H new ATOM 0 HD1 TYR A 59 6.496 8.967 5.293 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.298 6.128 2.333 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.502 10.283 4.816 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.626 7.750 1.594 1.00 0.70 H new ATOM 0 HH TYR A 59 2.948 10.757 2.631 1.00 0.86 H new ATOM 948 N ASN A 60 10.480 5.656 4.895 1.00 0.74 N ATOM 949 CA ASN A 60 11.432 4.686 5.336 1.00 0.79 C ATOM 950 C ASN A 60 10.839 3.319 5.338 1.00 0.75 C ATOM 951 O ASN A 60 11.064 2.534 6.257 1.00 0.86 O ATOM 952 CB ASN A 60 12.049 5.048 6.698 1.00 0.95 C ATOM 953 CG ASN A 60 12.915 6.298 6.645 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.681 6.679 5.760 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.696 7.078 7.738 1.00 1.83 N ATOM 0 H ASN A 60 10.862 6.222 4.138 1.00 0.74 H new ATOM 0 HA ASN A 60 12.254 4.690 4.620 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.250 5.197 7.425 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.650 4.211 7.052 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.167 7.979 7.824 1.00 1.83 H new ATOM 0 HD22 ASN A 60 12.061 6.762 8.471 1.00 1.83 H new ATOM 962 N ILE A 61 10.209 2.939 4.211 1.00 0.67 N ATOM 963 CA ILE A 61 9.572 1.670 4.058 1.00 0.65 C ATOM 964 C ILE A 61 10.588 0.751 3.472 1.00 0.66 C ATOM 965 O ILE A 61 11.093 1.004 2.378 1.00 0.75 O ATOM 966 CB ILE A 61 8.409 1.758 3.115 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.354 2.631 3.816 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.830 0.365 2.813 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.212 2.982 2.863 1.00 0.82 C ATOM 0 H ILE A 61 10.142 3.532 3.384 1.00 0.67 H new ATOM 0 HA ILE A 61 9.201 1.322 5.022 1.00 0.65 H new ATOM 0 HB ILE A 61 8.717 2.184 2.160 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.959 2.103 4.684 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.820 3.545 4.184 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.989 0.462 2.127 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.600 -0.258 2.358 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.491 -0.097 3.740 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.480 3.600 3.384 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.607 3.531 2.008 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.733 2.066 2.516 1.00 0.82 H new ATOM 981 N GLN A 62 10.993 -0.271 4.247 1.00 0.67 N ATOM 982 CA GLN A 62 12.007 -1.181 3.814 1.00 0.70 C ATOM 983 C GLN A 62 11.371 -2.369 3.181 1.00 0.62 C ATOM 984 O GLN A 62 10.168 -2.495 2.959 1.00 0.64 O ATOM 985 CB GLN A 62 12.915 -1.619 4.976 1.00 0.85 C ATOM 986 CG GLN A 62 13.419 -0.523 5.917 1.00 1.27 C ATOM 987 CD GLN A 62 14.353 0.481 5.259 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.522 0.100 5.221 1.00 2.08 O ATOM 989 NE2 GLN A 62 13.825 1.664 4.841 1.00 2.16 N ATOM 0 H GLN A 62 10.617 -0.467 5.175 1.00 0.67 H new ATOM 0 HA GLN A 62 12.635 -0.668 3.086 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.372 -2.353 5.571 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.782 -2.128 4.555 1.00 0.85 H new ATOM 0 HG2 GLN A 62 12.562 0.010 6.328 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.937 -0.989 6.755 1.00 1.27 H new ATOM 0 HE21 GLN A 62 12.825 1.839 4.939 1.00 2.16 H new ATOM 0 HE22 GLN A 62 14.430 2.376 4.430 1.00 2.16 H new ATOM 998 N LYS A 63 12.267 -3.343 2.939 1.00 0.64 N ATOM 999 CA LYS A 63 11.809 -4.645 2.560 1.00 0.62 C ATOM 1000 C LYS A 63 11.069 -5.436 3.582 1.00 0.59 C ATOM 1001 O LYS A 63 11.330 -5.319 4.778 1.00 0.66 O ATOM 1002 CB LYS A 63 12.852 -5.487 1.806 1.00 0.74 C ATOM 1003 CG LYS A 63 13.903 -5.933 2.824 1.00 0.89 C ATOM 1004 CD LYS A 63 15.033 -6.811 2.281 1.00 1.11 C ATOM 1005 CE LYS A 63 16.065 -7.124 3.366 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.422 -7.569 4.623 1.00 2.12 N ATOM 0 H LYS A 63 13.279 -3.236 3.003 1.00 0.64 H new ATOM 0 HA LYS A 63 11.030 -4.382 1.844 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.381 -6.351 1.337 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.313 -4.903 1.009 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.345 -5.044 3.274 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.399 -6.477 3.623 1.00 0.89 H new ATOM 0 HD2 LYS A 63 14.619 -7.741 1.891 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.521 -6.305 1.447 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.743 -7.900 3.010 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.669 -6.237 3.560 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.119 -8.069 5.211 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.062 -6.742 5.140 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 14.633 -8.209 4.402 1.00 2.12 H new ATOM 1020 N GLU A 64 10.146 -6.324 3.172 1.00 0.57 N ATOM 1021 CA GLU A 64 9.533 -7.270 4.052 1.00 0.58 C ATOM 1022 C GLU A 64 8.614 -6.728 5.091 1.00 0.56 C ATOM 1023 O GLU A 64 8.097 -7.440 5.950 1.00 0.70 O ATOM 1024 CB GLU A 64 10.433 -8.353 4.668 1.00 0.72 C ATOM 1025 CG GLU A 64 11.427 -9.076 3.756 1.00 0.96 C ATOM 1026 CD GLU A 64 12.453 -9.809 4.608 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.129 -10.525 5.593 1.00 1.69 O ATOM 1028 OE2 GLU A 64 13.661 -9.639 4.295 1.00 1.71 O ATOM 0 H GLU A 64 9.818 -6.386 2.208 1.00 0.57 H new ATOM 0 HA GLU A 64 8.917 -7.768 3.303 1.00 0.58 H new ATOM 0 HB2 GLU A 64 10.999 -7.893 5.478 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.786 -9.106 5.118 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.901 -9.782 3.113 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.925 -8.360 3.103 1.00 0.96 H new ATOM 1035 N SER A 65 8.287 -5.427 4.988 1.00 0.51 N ATOM 1036 CA SER A 65 7.509 -4.584 5.842 1.00 0.51 C ATOM 1037 C SER A 65 6.109 -4.582 5.330 1.00 0.43 C ATOM 1038 O SER A 65 5.853 -4.713 4.134 1.00 0.50 O ATOM 1039 CB SER A 65 8.039 -3.142 5.926 1.00 0.65 C ATOM 1040 OG SER A 65 7.470 -2.230 6.853 1.00 1.04 O ATOM 0 H SER A 65 8.621 -4.894 4.185 1.00 0.51 H new ATOM 0 HA SER A 65 7.567 -4.983 6.855 1.00 0.51 H new ATOM 0 HB2 SER A 65 9.106 -3.201 6.142 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.938 -2.701 4.934 1.00 0.65 H new ATOM 0 HG SER A 65 7.121 -1.450 6.373 1.00 1.04 H new ATOM 1046 N THR A 66 5.185 -4.646 6.305 1.00 0.45 N ATOM 1047 CA THR A 66 3.775 -4.642 6.072 1.00 0.45 C ATOM 1048 C THR A 66 3.137 -3.300 5.952 1.00 0.43 C ATOM 1049 O THR A 66 3.096 -2.551 6.927 1.00 0.58 O ATOM 1050 CB THR A 66 3.063 -5.510 7.067 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.616 -6.817 7.033 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.607 -5.755 6.637 1.00 0.78 C ATOM 0 H THR A 66 5.430 -4.703 7.294 1.00 0.45 H new ATOM 0 HA THR A 66 3.663 -5.068 5.075 1.00 0.45 H new ATOM 0 HB THR A 66 3.145 -5.010 8.032 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.153 -7.385 7.684 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.111 -6.387 7.374 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.083 -4.802 6.565 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.593 -6.250 5.666 1.00 0.78 H new ATOM 1060 N LEU A 67 2.469 -3.078 4.807 1.00 0.38 N ATOM 1061 CA LEU A 67 1.610 -1.963 4.550 1.00 0.38 C ATOM 1062 C LEU A 67 0.267 -2.565 4.778 1.00 0.37 C ATOM 1063 O LEU A 67 0.112 -3.768 4.577 1.00 0.50 O ATOM 1064 CB LEU A 67 1.802 -1.348 3.153 1.00 0.46 C ATOM 1065 CG LEU A 67 2.989 -0.397 2.924 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.390 -0.971 3.195 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.980 0.237 1.522 1.00 1.31 C ATOM 0 H LEU A 67 2.532 -3.715 4.013 1.00 0.38 H new ATOM 0 HA LEU A 67 1.805 -1.098 5.185 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.892 -2.168 2.440 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.890 -0.806 2.902 1.00 0.46 H new ATOM 0 HG LEU A 67 2.815 0.360 3.689 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.141 -0.206 2.998 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.459 -1.287 4.236 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.565 -1.827 2.543 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.840 0.898 1.416 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.031 -0.548 0.767 1.00 1.31 H new ATOM 0 HD23 LEU A 67 2.063 0.810 1.388 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.732 -1.716 5.077 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.081 -2.121 5.325 1.00 0.37 C ATOM 1081 C HIS A 68 -3.077 -1.509 4.401 1.00 0.35 C ATOM 1082 O HIS A 68 -3.298 -0.300 4.439 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.475 -1.786 6.774 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.902 -2.803 7.717 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.668 -2.823 8.335 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.388 -4.036 8.018 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.481 -3.992 9.005 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.509 -4.787 8.772 1.00 1.51 N ATOM 0 H HIS A 68 -0.595 -0.708 5.149 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.103 -3.197 5.150 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.113 -0.792 7.036 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.561 -1.764 6.867 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -3.358 -4.390 7.701 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.370 -4.231 9.626 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -1.628 -5.751 9.083 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.764 -2.352 3.608 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.732 -1.909 2.653 1.00 0.38 C ATOM 1098 C LEU A 69 -6.105 -1.796 3.219 1.00 0.41 C ATOM 1099 O LEU A 69 -6.766 -2.747 3.636 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.652 -2.745 1.365 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.709 -2.632 0.255 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.782 -1.259 -0.435 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.343 -3.771 -0.713 1.00 1.14 C ATOM 0 H LEU A 69 -3.644 -3.365 3.631 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.478 -0.886 2.376 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.689 -2.524 0.906 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.627 -3.791 1.670 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.716 -2.722 0.662 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.556 -1.278 -1.202 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -6.021 -0.493 0.303 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.821 -1.032 -0.895 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.043 -3.778 -1.548 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.331 -3.618 -1.089 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.395 -4.725 -0.188 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.613 -0.560 3.370 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.955 -0.220 3.731 1.00 0.56 C ATOM 1117 C VAL A 70 -8.597 0.303 2.492 1.00 0.55 C ATOM 1118 O VAL A 70 -7.987 0.865 1.584 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.915 0.673 4.936 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.364 1.036 5.300 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.280 -0.134 6.082 1.00 0.97 C ATOM 0 H VAL A 70 -6.036 0.269 3.228 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.580 -1.050 4.060 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.342 1.582 4.752 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.367 1.686 6.175 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.831 1.553 4.462 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.922 0.126 5.522 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.233 0.483 6.979 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.884 -1.019 6.282 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.273 -0.438 5.798 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.915 0.071 2.351 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.699 0.486 1.229 1.00 0.84 C ATOM 1133 C LEU A 71 -11.610 1.591 1.642 1.00 0.85 C ATOM 1134 O LEU A 71 -11.967 1.704 2.813 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.420 -0.757 0.681 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.533 -1.984 0.411 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.356 -3.143 -0.177 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.365 -1.729 -0.555 1.00 2.78 C ATOM 0 H LEU A 71 -10.459 -0.430 3.053 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.090 0.894 0.422 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.198 -1.044 1.389 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.920 -0.483 -0.248 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.121 -2.230 1.389 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.704 -3.997 -0.358 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.139 -3.427 0.526 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.809 -2.827 -1.117 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.794 -2.648 -0.686 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.755 -1.403 -1.519 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.716 -0.955 -0.145 1.00 2.78 H new