USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 603 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 46 LYS NZ :NH3+ -166:sc= 0.451 (180deg=0) USER MOD Set 1.2: A 66 THR OG1 : rot 140:sc= 0.411 USER MOD Set 2.1: A 12 LYS NZ :NH3+ -170:sc= -0.0121 (180deg=-0.141) USER MOD Set 2.2: A 72 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 7 ASN : amide:sc= -0.312 X(o=-0.31,f=-0.39) USER MOD Set 3.2: A 13 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.719) USER MOD Set 3.3: A 67 ASN : amide:sc= 0 X(o=-0.31,f=-0.39) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -87:sc= -0.184 USER MOD Single : A 23 SER OG : rot -124:sc= 0.167 USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= 0.00124 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -14:sc= 0.648 USER MOD Single : A 34 GLN : amide:sc= 0.00674 X(o=0.0067,f=0.37) USER MOD Single : A 37 THR OG1 : rot -162:sc= -1.53! USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0143 USER MOD Single : A 60 TYR OH : rot 30:sc= -0.24 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 65 GLN : amide:sc= -0.65 X(o=-0.65,f=-0.17) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.294 6.300 6.270 1.00 0.70 N ATOM 2 CA MET A 1 9.363 5.157 6.034 1.00 0.55 C ATOM 3 C MET A 1 7.950 5.538 6.499 1.00 0.51 C ATOM 4 O MET A 1 7.768 6.110 7.559 1.00 0.68 O ATOM 5 CB MET A 1 9.849 3.930 6.816 1.00 0.69 C ATOM 6 CG MET A 1 10.029 2.748 5.860 1.00 0.95 C ATOM 7 SD MET A 1 11.682 2.042 6.078 1.00 1.33 S ATOM 8 CE MET A 1 11.471 0.625 4.972 1.00 1.53 C ATOM 0 H1 MET A 1 11.250 6.040 5.954 1.00 0.70 H new ATOM 0 H2 MET A 1 9.967 7.130 5.736 1.00 0.70 H new ATOM 0 H3 MET A 1 10.314 6.527 7.285 1.00 0.70 H new ATOM 0 HA MET A 1 9.341 4.923 4.970 1.00 0.55 H new ATOM 0 HB2 MET A 1 10.792 4.154 7.314 1.00 0.69 H new ATOM 0 HB3 MET A 1 9.130 3.675 7.594 1.00 0.69 H new ATOM 0 HG2 MET A 1 9.270 1.990 6.054 1.00 0.95 H new ATOM 0 HG3 MET A 1 9.895 3.076 4.829 1.00 0.95 H new ATOM 0 HE1 MET A 1 12.389 0.038 4.954 1.00 1.53 H new ATOM 0 HE2 MET A 1 10.650 0.004 5.329 1.00 1.53 H new ATOM 0 HE3 MET A 1 11.247 0.979 3.966 1.00 1.53 H new ATOM 18 N ILE A 2 6.952 5.221 5.706 1.00 0.38 N ATOM 19 CA ILE A 2 5.543 5.557 6.087 1.00 0.36 C ATOM 20 C ILE A 2 4.698 4.278 6.144 1.00 0.33 C ATOM 21 O ILE A 2 5.070 3.251 5.603 1.00 0.34 O ATOM 22 CB ILE A 2 4.939 6.532 5.065 1.00 0.38 C ATOM 23 CG1 ILE A 2 5.080 5.964 3.647 1.00 0.34 C ATOM 24 CG2 ILE A 2 5.666 7.878 5.146 1.00 0.45 C ATOM 25 CD1 ILE A 2 4.011 6.579 2.741 1.00 0.47 C ATOM 0 H ILE A 2 7.054 4.743 4.810 1.00 0.38 H new ATOM 0 HA ILE A 2 5.547 6.029 7.070 1.00 0.36 H new ATOM 0 HB ILE A 2 3.882 6.671 5.292 1.00 0.38 H new ATOM 0 HG12 ILE A 2 6.073 6.181 3.254 1.00 0.34 H new ATOM 0 HG13 ILE A 2 4.975 4.879 3.666 1.00 0.34 H new ATOM 0 HG21 ILE A 2 5.236 8.568 4.420 1.00 0.45 H new ATOM 0 HG22 ILE A 2 5.556 8.291 6.149 1.00 0.45 H new ATOM 0 HG23 ILE A 2 6.724 7.734 4.927 1.00 0.45 H new ATOM 0 HD11 ILE A 2 4.112 6.175 1.734 1.00 0.47 H new ATOM 0 HD12 ILE A 2 3.022 6.339 3.131 1.00 0.47 H new ATOM 0 HD13 ILE A 2 4.137 7.661 2.712 1.00 0.47 H new ATOM 37 N GLU A 3 3.566 4.337 6.803 1.00 0.36 N ATOM 38 CA GLU A 3 2.686 3.136 6.913 1.00 0.35 C ATOM 39 C GLU A 3 1.374 3.400 6.170 1.00 0.35 C ATOM 40 O GLU A 3 0.624 4.293 6.519 1.00 0.52 O ATOM 41 CB GLU A 3 2.392 2.854 8.391 1.00 0.41 C ATOM 42 CG GLU A 3 3.641 2.272 9.067 1.00 0.49 C ATOM 43 CD GLU A 3 4.532 3.410 9.584 1.00 0.67 C ATOM 44 OE1 GLU A 3 4.143 4.057 10.544 1.00 0.88 O ATOM 45 OE2 GLU A 3 5.592 3.613 9.013 1.00 0.91 O ATOM 0 H GLU A 3 3.214 5.172 7.272 1.00 0.36 H new ATOM 0 HA GLU A 3 3.186 2.273 6.472 1.00 0.35 H new ATOM 0 HB2 GLU A 3 2.090 3.773 8.893 1.00 0.41 H new ATOM 0 HB3 GLU A 3 1.560 2.155 8.479 1.00 0.41 H new ATOM 0 HG2 GLU A 3 3.349 1.623 9.893 1.00 0.49 H new ATOM 0 HG3 GLU A 3 4.196 1.657 8.358 1.00 0.49 H new ATOM 52 N VAL A 4 1.095 2.633 5.144 1.00 0.30 N ATOM 53 CA VAL A 4 -0.168 2.840 4.367 1.00 0.31 C ATOM 54 C VAL A 4 -1.054 1.590 4.462 1.00 0.30 C ATOM 55 O VAL A 4 -0.573 0.487 4.661 1.00 0.41 O ATOM 56 CB VAL A 4 0.170 3.133 2.896 1.00 0.33 C ATOM 57 CG1 VAL A 4 1.189 4.274 2.819 1.00 0.40 C ATOM 58 CG2 VAL A 4 0.762 1.885 2.235 1.00 0.39 C ATOM 0 H VAL A 4 1.687 1.872 4.811 1.00 0.30 H new ATOM 0 HA VAL A 4 -0.709 3.688 4.786 1.00 0.31 H new ATOM 0 HB VAL A 4 -0.743 3.419 2.375 1.00 0.33 H new ATOM 0 HG11 VAL A 4 1.427 4.480 1.775 1.00 0.40 H new ATOM 0 HG12 VAL A 4 0.769 5.169 3.279 1.00 0.40 H new ATOM 0 HG13 VAL A 4 2.098 3.987 3.348 1.00 0.40 H new ATOM 0 HG21 VAL A 4 0.998 2.102 1.193 1.00 0.39 H new ATOM 0 HG22 VAL A 4 1.671 1.592 2.760 1.00 0.39 H new ATOM 0 HG23 VAL A 4 0.038 1.071 2.281 1.00 0.39 H new ATOM 68 N VAL A 5 -2.348 1.759 4.318 1.00 0.30 N ATOM 69 CA VAL A 5 -3.283 0.592 4.393 1.00 0.32 C ATOM 70 C VAL A 5 -3.980 0.403 3.041 1.00 0.32 C ATOM 71 O VAL A 5 -4.446 1.352 2.437 1.00 0.50 O ATOM 72 CB VAL A 5 -4.336 0.825 5.491 1.00 0.35 C ATOM 73 CG1 VAL A 5 -3.693 0.636 6.866 1.00 0.50 C ATOM 74 CG2 VAL A 5 -4.905 2.247 5.386 1.00 0.44 C ATOM 0 H VAL A 5 -2.798 2.659 4.151 1.00 0.30 H new ATOM 0 HA VAL A 5 -2.712 -0.304 4.636 1.00 0.32 H new ATOM 0 HB VAL A 5 -5.146 0.107 5.362 1.00 0.35 H new ATOM 0 HG11 VAL A 5 -4.440 0.801 7.643 1.00 0.50 H new ATOM 0 HG12 VAL A 5 -3.302 -0.378 6.949 1.00 0.50 H new ATOM 0 HG13 VAL A 5 -2.878 1.350 6.988 1.00 0.50 H new ATOM 0 HG21 VAL A 5 -5.649 2.400 6.168 1.00 0.44 H new ATOM 0 HG22 VAL A 5 -4.099 2.971 5.505 1.00 0.44 H new ATOM 0 HG23 VAL A 5 -5.372 2.381 4.410 1.00 0.44 H new ATOM 84 N VAL A 6 -4.051 -0.818 2.564 1.00 0.26 N ATOM 85 CA VAL A 6 -4.715 -1.081 1.249 1.00 0.28 C ATOM 86 C VAL A 6 -5.952 -1.965 1.458 1.00 0.30 C ATOM 87 O VAL A 6 -5.899 -2.976 2.136 1.00 0.43 O ATOM 88 CB VAL A 6 -3.730 -1.771 0.290 1.00 0.34 C ATOM 89 CG1 VAL A 6 -2.583 -0.813 -0.042 1.00 0.38 C ATOM 90 CG2 VAL A 6 -3.158 -3.041 0.934 1.00 0.48 C ATOM 0 H VAL A 6 -3.677 -1.644 3.030 1.00 0.26 H new ATOM 0 HA VAL A 6 -5.026 -0.132 0.811 1.00 0.28 H new ATOM 0 HB VAL A 6 -4.262 -2.043 -0.622 1.00 0.34 H new ATOM 0 HG11 VAL A 6 -1.885 -1.302 -0.722 1.00 0.38 H new ATOM 0 HG12 VAL A 6 -2.983 0.083 -0.516 1.00 0.38 H new ATOM 0 HG13 VAL A 6 -2.063 -0.537 0.875 1.00 0.38 H new ATOM 0 HG21 VAL A 6 -2.463 -3.518 0.243 1.00 0.48 H new ATOM 0 HG22 VAL A 6 -2.634 -2.779 1.853 1.00 0.48 H new ATOM 0 HG23 VAL A 6 -3.971 -3.730 1.164 1.00 0.48 H new ATOM 100 N ASN A 7 -7.063 -1.588 0.870 1.00 0.29 N ATOM 101 CA ASN A 7 -8.315 -2.395 1.016 1.00 0.31 C ATOM 102 C ASN A 7 -8.671 -3.026 -0.337 1.00 0.31 C ATOM 103 O ASN A 7 -8.663 -2.365 -1.361 1.00 0.36 O ATOM 104 CB ASN A 7 -9.468 -1.499 1.499 1.00 0.36 C ATOM 105 CG ASN A 7 -9.616 -0.274 0.585 1.00 0.42 C ATOM 106 OD1 ASN A 7 -10.317 -0.323 -0.407 1.00 0.62 O ATOM 107 ND2 ASN A 7 -8.984 0.830 0.882 1.00 0.47 N ATOM 0 H ASN A 7 -7.156 -0.752 0.293 1.00 0.29 H new ATOM 0 HA ASN A 7 -8.154 -3.182 1.753 1.00 0.31 H new ATOM 0 HB2 ASN A 7 -10.398 -2.067 1.509 1.00 0.36 H new ATOM 0 HB3 ASN A 7 -9.281 -1.176 2.523 1.00 0.36 H new ATOM 0 HD21 ASN A 7 -9.079 1.649 0.282 1.00 0.47 H new ATOM 0 HD22 ASN A 7 -8.395 0.873 1.714 1.00 0.47 H new ATOM 114 N ASP A 8 -8.972 -4.304 -0.347 1.00 0.31 N ATOM 115 CA ASP A 8 -9.319 -4.989 -1.630 1.00 0.34 C ATOM 116 C ASP A 8 -10.770 -4.679 -2.014 1.00 0.37 C ATOM 117 O ASP A 8 -11.035 -4.188 -3.097 1.00 0.48 O ATOM 118 CB ASP A 8 -9.142 -6.504 -1.476 1.00 0.37 C ATOM 119 CG ASP A 8 -7.843 -6.944 -2.162 1.00 0.66 C ATOM 120 OD1 ASP A 8 -7.860 -7.117 -3.371 1.00 0.93 O ATOM 121 OD2 ASP A 8 -6.855 -7.105 -1.465 1.00 0.97 O ATOM 0 H ASP A 8 -8.992 -4.901 0.480 1.00 0.31 H new ATOM 0 HA ASP A 8 -8.655 -4.626 -2.414 1.00 0.34 H new ATOM 0 HB2 ASP A 8 -9.116 -6.771 -0.420 1.00 0.37 H new ATOM 0 HB3 ASP A 8 -9.992 -7.026 -1.916 1.00 0.37 H new ATOM 126 N ARG A 9 -11.706 -4.967 -1.140 1.00 0.40 N ATOM 127 CA ARG A 9 -13.143 -4.695 -1.453 1.00 0.48 C ATOM 128 C ARG A 9 -13.779 -3.898 -0.307 1.00 0.54 C ATOM 129 O ARG A 9 -14.208 -2.774 -0.494 1.00 0.67 O ATOM 130 CB ARG A 9 -13.889 -6.022 -1.639 1.00 0.49 C ATOM 131 CG ARG A 9 -13.655 -6.552 -3.059 1.00 0.56 C ATOM 132 CD ARG A 9 -12.616 -7.676 -3.027 1.00 0.64 C ATOM 133 NE ARG A 9 -12.409 -8.207 -4.406 1.00 0.72 N ATOM 134 CZ ARG A 9 -11.262 -8.031 -5.014 1.00 0.91 C ATOM 135 NH1 ARG A 9 -10.283 -8.881 -4.825 1.00 1.13 N ATOM 136 NH2 ARG A 9 -11.098 -7.009 -5.815 1.00 1.48 N ATOM 0 H ARG A 9 -11.535 -5.379 -0.223 1.00 0.40 H new ATOM 0 HA ARG A 9 -13.209 -4.114 -2.373 1.00 0.48 H new ATOM 0 HB2 ARG A 9 -13.542 -6.751 -0.907 1.00 0.49 H new ATOM 0 HB3 ARG A 9 -14.955 -5.878 -1.465 1.00 0.49 H new ATOM 0 HG2 ARG A 9 -14.591 -6.921 -3.478 1.00 0.56 H new ATOM 0 HG3 ARG A 9 -13.312 -5.745 -3.707 1.00 0.56 H new ATOM 0 HD2 ARG A 9 -11.674 -7.303 -2.625 1.00 0.64 H new ATOM 0 HD3 ARG A 9 -12.950 -8.475 -2.365 1.00 0.64 H new ATOM 0 HE ARG A 9 -13.162 -8.708 -4.876 1.00 0.72 H new ATOM 0 HH11 ARG A 9 -10.414 -9.680 -4.204 1.00 1.13 H new ATOM 0 HH12 ARG A 9 -9.390 -8.744 -5.298 1.00 1.13 H new ATOM 0 HH21 ARG A 9 -11.863 -6.351 -5.965 1.00 1.48 H new ATOM 0 HH22 ARG A 9 -10.206 -6.871 -6.289 1.00 1.48 H new ATOM 150 N LEU A 10 -13.842 -4.471 0.875 1.00 0.54 N ATOM 151 CA LEU A 10 -14.451 -3.750 2.037 1.00 0.66 C ATOM 152 C LEU A 10 -13.940 -4.355 3.351 1.00 0.65 C ATOM 153 O LEU A 10 -13.271 -3.693 4.124 1.00 0.73 O ATOM 154 CB LEU A 10 -15.979 -3.875 1.972 1.00 0.77 C ATOM 155 CG LEU A 10 -16.620 -2.505 2.210 1.00 1.17 C ATOM 156 CD1 LEU A 10 -17.655 -2.228 1.118 1.00 1.46 C ATOM 157 CD2 LEU A 10 -17.305 -2.492 3.580 1.00 1.59 C ATOM 0 H LEU A 10 -13.497 -5.408 1.083 1.00 0.54 H new ATOM 0 HA LEU A 10 -14.170 -2.698 1.995 1.00 0.66 H new ATOM 0 HB2 LEU A 10 -16.281 -4.264 1.000 1.00 0.77 H new ATOM 0 HB3 LEU A 10 -16.328 -4.585 2.722 1.00 0.77 H new ATOM 0 HG LEU A 10 -15.850 -1.734 2.183 1.00 1.17 H new ATOM 0 HD11 LEU A 10 -18.111 -1.253 1.288 1.00 1.46 H new ATOM 0 HD12 LEU A 10 -17.167 -2.235 0.144 1.00 1.46 H new ATOM 0 HD13 LEU A 10 -18.426 -2.998 1.143 1.00 1.46 H new ATOM 0 HD21 LEU A 10 -17.761 -1.517 3.749 1.00 1.59 H new ATOM 0 HD22 LEU A 10 -18.075 -3.263 3.609 1.00 1.59 H new ATOM 0 HD23 LEU A 10 -16.567 -2.687 4.358 1.00 1.59 H new ATOM 169 N GLY A 11 -14.252 -5.606 3.607 1.00 0.64 N ATOM 170 CA GLY A 11 -13.793 -6.265 4.869 1.00 0.73 C ATOM 171 C GLY A 11 -12.301 -6.610 4.773 1.00 0.64 C ATOM 172 O GLY A 11 -11.587 -6.565 5.758 1.00 0.78 O ATOM 0 H GLY A 11 -14.808 -6.199 2.991 1.00 0.64 H new ATOM 0 HA2 GLY A 11 -13.967 -5.603 5.718 1.00 0.73 H new ATOM 0 HA3 GLY A 11 -14.373 -7.171 5.047 1.00 0.73 H new ATOM 176 N LYS A 12 -11.827 -6.961 3.596 1.00 0.53 N ATOM 177 CA LYS A 12 -10.383 -7.318 3.436 1.00 0.49 C ATOM 178 C LYS A 12 -9.519 -6.048 3.469 1.00 0.45 C ATOM 179 O LYS A 12 -9.779 -5.089 2.762 1.00 0.54 O ATOM 180 CB LYS A 12 -10.176 -8.047 2.103 1.00 0.53 C ATOM 181 CG LYS A 12 -9.610 -9.446 2.369 1.00 0.76 C ATOM 182 CD LYS A 12 -8.235 -9.580 1.705 1.00 1.36 C ATOM 183 CE LYS A 12 -8.316 -10.572 0.539 1.00 1.86 C ATOM 184 NZ LYS A 12 -8.308 -9.829 -0.755 1.00 2.58 N ATOM 0 H LYS A 12 -12.381 -7.014 2.741 1.00 0.53 H new ATOM 0 HA LYS A 12 -10.086 -7.971 4.257 1.00 0.49 H new ATOM 0 HB2 LYS A 12 -11.122 -8.122 1.566 1.00 0.53 H new ATOM 0 HB3 LYS A 12 -9.493 -7.481 1.469 1.00 0.53 H new ATOM 0 HG2 LYS A 12 -9.525 -9.617 3.442 1.00 0.76 H new ATOM 0 HG3 LYS A 12 -10.289 -10.204 1.979 1.00 0.76 H new ATOM 0 HD2 LYS A 12 -7.899 -8.608 1.345 1.00 1.36 H new ATOM 0 HD3 LYS A 12 -7.500 -9.921 2.434 1.00 1.36 H new ATOM 0 HE2 LYS A 12 -7.474 -11.263 0.578 1.00 1.86 H new ATOM 0 HE3 LYS A 12 -9.223 -11.170 0.620 1.00 1.86 H new ATOM 0 HZ1 LYS A 12 -8.532 -10.483 -1.532 1.00 2.58 H new ATOM 0 HZ2 LYS A 12 -9.019 -9.071 -0.724 1.00 2.58 H new ATOM 0 HZ3 LYS A 12 -7.367 -9.415 -0.912 1.00 2.58 H new ATOM 198 N LYS A 13 -8.491 -6.043 4.290 1.00 0.45 N ATOM 199 CA LYS A 13 -7.596 -4.847 4.388 1.00 0.45 C ATOM 200 C LYS A 13 -6.188 -5.287 4.816 1.00 0.46 C ATOM 201 O LYS A 13 -6.015 -5.932 5.835 1.00 0.59 O ATOM 202 CB LYS A 13 -8.164 -3.869 5.424 1.00 0.53 C ATOM 203 CG LYS A 13 -8.153 -2.451 4.850 1.00 0.67 C ATOM 204 CD LYS A 13 -7.721 -1.458 5.932 1.00 0.86 C ATOM 205 CE LYS A 13 -8.400 -0.110 5.682 1.00 0.79 C ATOM 206 NZ LYS A 13 -7.855 0.508 4.437 1.00 0.87 N ATOM 0 H LYS A 13 -8.235 -6.821 4.898 1.00 0.45 H new ATOM 0 HA LYS A 13 -7.540 -4.357 3.416 1.00 0.45 H new ATOM 0 HB2 LYS A 13 -9.181 -4.156 5.691 1.00 0.53 H new ATOM 0 HB3 LYS A 13 -7.572 -3.907 6.338 1.00 0.53 H new ATOM 0 HG2 LYS A 13 -7.471 -2.398 4.001 1.00 0.67 H new ATOM 0 HG3 LYS A 13 -9.145 -2.191 4.479 1.00 0.67 H new ATOM 0 HD2 LYS A 13 -7.991 -1.837 6.918 1.00 0.86 H new ATOM 0 HD3 LYS A 13 -6.637 -1.340 5.922 1.00 0.86 H new ATOM 0 HE2 LYS A 13 -9.477 -0.247 5.589 1.00 0.79 H new ATOM 0 HE3 LYS A 13 -8.235 0.554 6.531 1.00 0.79 H new ATOM 0 HZ1 LYS A 13 -7.529 1.474 4.643 1.00 0.87 H new ATOM 0 HZ2 LYS A 13 -7.057 -0.060 4.088 1.00 0.87 H new ATOM 0 HZ3 LYS A 13 -8.599 0.541 3.711 1.00 0.87 H new ATOM 220 N VAL A 14 -5.185 -4.942 4.042 1.00 0.41 N ATOM 221 CA VAL A 14 -3.781 -5.333 4.390 1.00 0.43 C ATOM 222 C VAL A 14 -2.957 -4.073 4.693 1.00 0.38 C ATOM 223 O VAL A 14 -3.156 -3.032 4.092 1.00 0.44 O ATOM 224 CB VAL A 14 -3.147 -6.091 3.213 1.00 0.48 C ATOM 225 CG1 VAL A 14 -1.836 -6.744 3.664 1.00 0.60 C ATOM 226 CG2 VAL A 14 -4.111 -7.176 2.720 1.00 0.62 C ATOM 0 H VAL A 14 -5.279 -4.404 3.181 1.00 0.41 H new ATOM 0 HA VAL A 14 -3.794 -5.978 5.268 1.00 0.43 H new ATOM 0 HB VAL A 14 -2.943 -5.389 2.404 1.00 0.48 H new ATOM 0 HG11 VAL A 14 -1.390 -7.280 2.827 1.00 0.60 H new ATOM 0 HG12 VAL A 14 -1.147 -5.974 4.011 1.00 0.60 H new ATOM 0 HG13 VAL A 14 -2.038 -7.443 4.476 1.00 0.60 H new ATOM 0 HG21 VAL A 14 -3.659 -7.712 1.885 1.00 0.62 H new ATOM 0 HG22 VAL A 14 -4.318 -7.875 3.531 1.00 0.62 H new ATOM 0 HG23 VAL A 14 -5.042 -6.714 2.393 1.00 0.62 H new ATOM 236 N ARG A 15 -2.030 -4.167 5.618 1.00 0.38 N ATOM 237 CA ARG A 15 -1.183 -2.983 5.965 1.00 0.38 C ATOM 238 C ARG A 15 0.231 -3.185 5.407 1.00 0.37 C ATOM 239 O ARG A 15 0.778 -4.273 5.454 1.00 0.50 O ATOM 240 CB ARG A 15 -1.124 -2.806 7.490 1.00 0.46 C ATOM 241 CG ARG A 15 -0.512 -4.047 8.154 1.00 0.57 C ATOM 242 CD ARG A 15 0.541 -3.612 9.178 1.00 0.83 C ATOM 243 NE ARG A 15 1.892 -3.642 8.546 1.00 0.99 N ATOM 244 CZ ARG A 15 2.679 -2.599 8.631 1.00 1.21 C ATOM 245 NH1 ARG A 15 2.564 -1.620 7.768 1.00 1.51 N ATOM 246 NH2 ARG A 15 3.577 -2.536 9.582 1.00 1.77 N ATOM 0 H ARG A 15 -1.824 -5.014 6.147 1.00 0.38 H new ATOM 0 HA ARG A 15 -1.621 -2.087 5.525 1.00 0.38 H new ATOM 0 HB2 ARG A 15 -0.531 -1.925 7.737 1.00 0.46 H new ATOM 0 HB3 ARG A 15 -2.127 -2.635 7.881 1.00 0.46 H new ATOM 0 HG2 ARG A 15 -1.291 -4.632 8.643 1.00 0.57 H new ATOM 0 HG3 ARG A 15 -0.058 -4.689 7.400 1.00 0.57 H new ATOM 0 HD2 ARG A 15 0.319 -2.608 9.539 1.00 0.83 H new ATOM 0 HD3 ARG A 15 0.518 -4.275 10.043 1.00 0.83 H new ATOM 0 HE ARG A 15 2.203 -4.476 8.047 1.00 0.99 H new ATOM 0 HH11 ARG A 15 1.862 -1.670 7.030 1.00 1.51 H new ATOM 0 HH12 ARG A 15 3.177 -0.807 7.834 1.00 1.51 H new ATOM 0 HH21 ARG A 15 3.662 -3.298 10.254 1.00 1.77 H new ATOM 0 HH22 ARG A 15 4.191 -1.725 9.650 1.00 1.77 H new ATOM 260 N VAL A 16 0.817 -2.143 4.871 1.00 0.32 N ATOM 261 CA VAL A 16 2.192 -2.261 4.296 1.00 0.34 C ATOM 262 C VAL A 16 2.958 -0.944 4.504 1.00 0.34 C ATOM 263 O VAL A 16 2.382 0.129 4.480 1.00 0.39 O ATOM 264 CB VAL A 16 2.077 -2.586 2.799 1.00 0.37 C ATOM 265 CG1 VAL A 16 1.356 -1.448 2.068 1.00 0.41 C ATOM 266 CG2 VAL A 16 3.475 -2.775 2.199 1.00 0.48 C ATOM 0 H VAL A 16 0.401 -1.214 4.807 1.00 0.32 H new ATOM 0 HA VAL A 16 2.739 -3.059 4.797 1.00 0.34 H new ATOM 0 HB VAL A 16 1.505 -3.506 2.681 1.00 0.37 H new ATOM 0 HG11 VAL A 16 1.279 -1.688 1.007 1.00 0.41 H new ATOM 0 HG12 VAL A 16 0.357 -1.323 2.485 1.00 0.41 H new ATOM 0 HG13 VAL A 16 1.919 -0.523 2.191 1.00 0.41 H new ATOM 0 HG21 VAL A 16 3.387 -3.005 1.137 1.00 0.48 H new ATOM 0 HG22 VAL A 16 4.052 -1.859 2.325 1.00 0.48 H new ATOM 0 HG23 VAL A 16 3.981 -3.595 2.708 1.00 0.48 H new ATOM 276 N LYS A 17 4.255 -1.022 4.707 1.00 0.36 N ATOM 277 CA LYS A 17 5.067 0.220 4.915 1.00 0.37 C ATOM 278 C LYS A 17 6.097 0.374 3.785 1.00 0.34 C ATOM 279 O LYS A 17 6.572 -0.600 3.225 1.00 0.44 O ATOM 280 CB LYS A 17 5.782 0.161 6.276 1.00 0.45 C ATOM 281 CG LYS A 17 6.726 -1.046 6.342 1.00 0.54 C ATOM 282 CD LYS A 17 7.359 -1.117 7.735 1.00 1.32 C ATOM 283 CE LYS A 17 7.633 -2.579 8.107 1.00 1.86 C ATOM 284 NZ LYS A 17 9.048 -2.928 7.784 1.00 2.79 N ATOM 0 H LYS A 17 4.785 -1.893 4.737 1.00 0.36 H new ATOM 0 HA LYS A 17 4.400 1.082 4.903 1.00 0.37 H new ATOM 0 HB2 LYS A 17 6.347 1.080 6.436 1.00 0.45 H new ATOM 0 HB3 LYS A 17 5.045 0.097 7.077 1.00 0.45 H new ATOM 0 HG2 LYS A 17 6.177 -1.964 6.132 1.00 0.54 H new ATOM 0 HG3 LYS A 17 7.502 -0.958 5.581 1.00 0.54 H new ATOM 0 HD2 LYS A 17 8.288 -0.548 7.752 1.00 1.32 H new ATOM 0 HD3 LYS A 17 6.694 -0.664 8.470 1.00 1.32 H new ATOM 0 HE2 LYS A 17 7.444 -2.735 9.169 1.00 1.86 H new ATOM 0 HE3 LYS A 17 6.954 -3.235 7.563 1.00 1.86 H new ATOM 0 HZ1 LYS A 17 9.228 -3.920 8.038 1.00 2.79 H new ATOM 0 HZ2 LYS A 17 9.214 -2.796 6.766 1.00 2.79 H new ATOM 0 HZ3 LYS A 17 9.689 -2.311 8.322 1.00 2.79 H new ATOM 298 N CYS A 18 6.443 1.598 3.450 1.00 0.30 N ATOM 299 CA CYS A 18 7.442 1.846 2.358 1.00 0.31 C ATOM 300 C CYS A 18 7.892 3.316 2.397 1.00 0.28 C ATOM 301 O CYS A 18 7.238 4.156 2.987 1.00 0.40 O ATOM 302 CB CYS A 18 6.803 1.549 0.994 1.00 0.37 C ATOM 303 SG CYS A 18 7.743 0.250 0.154 1.00 0.76 S ATOM 0 H CYS A 18 6.073 2.441 3.890 1.00 0.30 H new ATOM 0 HA CYS A 18 8.303 1.194 2.506 1.00 0.31 H new ATOM 0 HB2 CYS A 18 5.768 1.235 1.127 1.00 0.37 H new ATOM 0 HB3 CYS A 18 6.786 2.452 0.384 1.00 0.37 H new ATOM 0 HG CYS A 18 8.723 0.785 -0.511 1.00 0.76 H new ATOM 309 N LEU A 19 8.999 3.631 1.765 1.00 0.33 N ATOM 310 CA LEU A 19 9.489 5.044 1.756 1.00 0.31 C ATOM 311 C LEU A 19 8.779 5.820 0.639 1.00 0.32 C ATOM 312 O LEU A 19 8.497 5.281 -0.418 1.00 0.35 O ATOM 313 CB LEU A 19 11.003 5.067 1.510 1.00 0.35 C ATOM 314 CG LEU A 19 11.734 5.521 2.779 1.00 0.50 C ATOM 315 CD1 LEU A 19 13.129 4.890 2.820 1.00 0.73 C ATOM 316 CD2 LEU A 19 11.868 7.048 2.777 1.00 0.73 C ATOM 0 H LEU A 19 9.583 2.969 1.255 1.00 0.33 H new ATOM 0 HA LEU A 19 9.274 5.507 2.719 1.00 0.31 H new ATOM 0 HB2 LEU A 19 11.347 4.075 1.217 1.00 0.35 H new ATOM 0 HB3 LEU A 19 11.236 5.741 0.686 1.00 0.35 H new ATOM 0 HG LEU A 19 11.165 5.207 3.654 1.00 0.50 H new ATOM 0 HD11 LEU A 19 13.648 5.213 3.722 1.00 0.73 H new ATOM 0 HD12 LEU A 19 13.037 3.804 2.823 1.00 0.73 H new ATOM 0 HD13 LEU A 19 13.696 5.203 1.943 1.00 0.73 H new ATOM 0 HD21 LEU A 19 12.388 7.369 3.680 1.00 0.73 H new ATOM 0 HD22 LEU A 19 12.435 7.362 1.901 1.00 0.73 H new ATOM 0 HD23 LEU A 19 10.877 7.500 2.749 1.00 0.73 H new ATOM 328 N ALA A 20 8.497 7.082 0.864 1.00 0.36 N ATOM 329 CA ALA A 20 7.811 7.904 -0.184 1.00 0.41 C ATOM 330 C ALA A 20 8.716 8.039 -1.420 1.00 0.38 C ATOM 331 O ALA A 20 8.245 8.306 -2.510 1.00 0.42 O ATOM 332 CB ALA A 20 7.500 9.298 0.374 1.00 0.50 C ATOM 0 H ALA A 20 8.712 7.578 1.729 1.00 0.36 H new ATOM 0 HA ALA A 20 6.882 7.410 -0.470 1.00 0.41 H new ATOM 0 HB1 ALA A 20 7.001 9.893 -0.391 1.00 0.50 H new ATOM 0 HB2 ALA A 20 6.849 9.205 1.243 1.00 0.50 H new ATOM 0 HB3 ALA A 20 8.428 9.788 0.667 1.00 0.50 H new ATOM 338 N GLU A 21 10.009 7.845 -1.258 1.00 0.37 N ATOM 339 CA GLU A 21 10.947 7.950 -2.420 1.00 0.39 C ATOM 340 C GLU A 21 10.916 6.648 -3.235 1.00 0.35 C ATOM 341 O GLU A 21 11.261 6.638 -4.403 1.00 0.39 O ATOM 342 CB GLU A 21 12.373 8.208 -1.912 1.00 0.48 C ATOM 343 CG GLU A 21 12.824 7.061 -0.997 1.00 0.51 C ATOM 344 CD GLU A 21 13.875 6.205 -1.714 1.00 0.59 C ATOM 345 OE1 GLU A 21 15.022 6.621 -1.760 1.00 0.78 O ATOM 346 OE2 GLU A 21 13.516 5.144 -2.201 1.00 0.69 O ATOM 0 H GLU A 21 10.452 7.618 -0.368 1.00 0.37 H new ATOM 0 HA GLU A 21 10.636 8.778 -3.057 1.00 0.39 H new ATOM 0 HB2 GLU A 21 13.057 8.300 -2.756 1.00 0.48 H new ATOM 0 HB3 GLU A 21 12.408 9.152 -1.369 1.00 0.48 H new ATOM 0 HG2 GLU A 21 13.239 7.463 -0.073 1.00 0.51 H new ATOM 0 HG3 GLU A 21 11.968 6.446 -0.721 1.00 0.51 H new ATOM 353 N ASP A 22 10.510 5.553 -2.627 1.00 0.33 N ATOM 354 CA ASP A 22 10.460 4.251 -3.360 1.00 0.34 C ATOM 355 C ASP A 22 9.404 4.321 -4.472 1.00 0.32 C ATOM 356 O ASP A 22 8.474 5.106 -4.410 1.00 0.43 O ATOM 357 CB ASP A 22 10.106 3.121 -2.386 1.00 0.38 C ATOM 358 CG ASP A 22 11.392 2.490 -1.843 1.00 0.40 C ATOM 359 OD1 ASP A 22 11.909 1.593 -2.490 1.00 0.53 O ATOM 360 OD2 ASP A 22 11.840 2.915 -0.790 1.00 0.62 O ATOM 0 H ASP A 22 10.211 5.510 -1.653 1.00 0.33 H new ATOM 0 HA ASP A 22 11.436 4.053 -3.802 1.00 0.34 H new ATOM 0 HB2 ASP A 22 9.505 3.510 -1.564 1.00 0.38 H new ATOM 0 HB3 ASP A 22 9.504 2.366 -2.892 1.00 0.38 H new ATOM 365 N SER A 23 9.548 3.506 -5.489 1.00 0.33 N ATOM 366 CA SER A 23 8.564 3.518 -6.615 1.00 0.32 C ATOM 367 C SER A 23 7.434 2.516 -6.342 1.00 0.29 C ATOM 368 O SER A 23 7.499 1.723 -5.418 1.00 0.31 O ATOM 369 CB SER A 23 9.276 3.143 -7.919 1.00 0.39 C ATOM 370 OG SER A 23 9.182 4.227 -8.835 1.00 0.66 O ATOM 0 H SER A 23 10.307 2.832 -5.587 1.00 0.33 H new ATOM 0 HA SER A 23 8.138 4.517 -6.703 1.00 0.32 H new ATOM 0 HB2 SER A 23 10.322 2.909 -7.721 1.00 0.39 H new ATOM 0 HB3 SER A 23 8.825 2.249 -8.349 1.00 0.39 H new ATOM 0 HG SER A 23 8.781 3.914 -9.672 1.00 0.66 H new ATOM 376 N VAL A 24 6.399 2.549 -7.154 1.00 0.30 N ATOM 377 CA VAL A 24 5.253 1.603 -6.969 1.00 0.31 C ATOM 378 C VAL A 24 5.749 0.159 -7.146 1.00 0.29 C ATOM 379 O VAL A 24 5.212 -0.758 -6.554 1.00 0.34 O ATOM 380 CB VAL A 24 4.161 1.908 -8.003 1.00 0.35 C ATOM 381 CG1 VAL A 24 2.993 0.931 -7.836 1.00 0.41 C ATOM 382 CG2 VAL A 24 3.652 3.338 -7.800 1.00 0.39 C ATOM 0 H VAL A 24 6.301 3.194 -7.938 1.00 0.30 H new ATOM 0 HA VAL A 24 4.840 1.723 -5.967 1.00 0.31 H new ATOM 0 HB VAL A 24 4.580 1.802 -9.004 1.00 0.35 H new ATOM 0 HG11 VAL A 24 2.223 1.155 -8.574 1.00 0.41 H new ATOM 0 HG12 VAL A 24 3.348 -0.089 -7.981 1.00 0.41 H new ATOM 0 HG13 VAL A 24 2.575 1.031 -6.834 1.00 0.41 H new ATOM 0 HG21 VAL A 24 2.876 3.556 -8.534 1.00 0.39 H new ATOM 0 HG22 VAL A 24 3.240 3.438 -6.796 1.00 0.39 H new ATOM 0 HG23 VAL A 24 4.477 4.039 -7.925 1.00 0.39 H new ATOM 392 N GLY A 25 6.779 -0.044 -7.944 1.00 0.28 N ATOM 393 CA GLY A 25 7.324 -1.423 -8.149 1.00 0.32 C ATOM 394 C GLY A 25 7.775 -1.987 -6.798 1.00 0.30 C ATOM 395 O GLY A 25 7.425 -3.096 -6.433 1.00 0.35 O ATOM 0 H GLY A 25 7.263 0.690 -8.461 1.00 0.28 H new ATOM 0 HA2 GLY A 25 6.563 -2.067 -8.591 1.00 0.32 H new ATOM 0 HA3 GLY A 25 8.163 -1.397 -8.845 1.00 0.32 H new ATOM 399 N ASP A 26 8.533 -1.218 -6.048 1.00 0.30 N ATOM 400 CA ASP A 26 8.996 -1.679 -4.704 1.00 0.32 C ATOM 401 C ASP A 26 7.780 -1.796 -3.776 1.00 0.31 C ATOM 402 O ASP A 26 7.681 -2.713 -2.983 1.00 0.34 O ATOM 403 CB ASP A 26 9.993 -0.661 -4.133 1.00 0.37 C ATOM 404 CG ASP A 26 10.673 -1.238 -2.887 1.00 0.52 C ATOM 405 OD1 ASP A 26 11.659 -1.942 -3.045 1.00 0.82 O ATOM 406 OD2 ASP A 26 10.200 -0.963 -1.795 1.00 0.65 O ATOM 0 H ASP A 26 8.851 -0.286 -6.314 1.00 0.30 H new ATOM 0 HA ASP A 26 9.487 -2.649 -4.788 1.00 0.32 H new ATOM 0 HB2 ASP A 26 10.742 -0.412 -4.884 1.00 0.37 H new ATOM 0 HB3 ASP A 26 9.476 0.265 -3.880 1.00 0.37 H new ATOM 411 N PHE A 27 6.850 -0.874 -3.892 1.00 0.29 N ATOM 412 CA PHE A 27 5.615 -0.910 -3.047 1.00 0.28 C ATOM 413 C PHE A 27 4.861 -2.226 -3.306 1.00 0.27 C ATOM 414 O PHE A 27 4.385 -2.867 -2.386 1.00 0.30 O ATOM 415 CB PHE A 27 4.733 0.290 -3.416 1.00 0.29 C ATOM 416 CG PHE A 27 3.571 0.403 -2.456 1.00 0.26 C ATOM 417 CD1 PHE A 27 3.805 0.519 -1.081 1.00 0.35 C ATOM 418 CD2 PHE A 27 2.260 0.395 -2.945 1.00 0.32 C ATOM 419 CE1 PHE A 27 2.728 0.627 -0.197 1.00 0.40 C ATOM 420 CE2 PHE A 27 1.182 0.502 -2.059 1.00 0.35 C ATOM 421 CZ PHE A 27 1.416 0.617 -0.686 1.00 0.35 C ATOM 0 H PHE A 27 6.897 -0.091 -4.544 1.00 0.29 H new ATOM 0 HA PHE A 27 5.875 -0.857 -1.990 1.00 0.28 H new ATOM 0 HB2 PHE A 27 5.324 1.205 -3.391 1.00 0.29 H new ATOM 0 HB3 PHE A 27 4.362 0.178 -4.435 1.00 0.29 H new ATOM 0 HD1 PHE A 27 4.817 0.525 -0.704 1.00 0.35 H new ATOM 0 HD2 PHE A 27 2.080 0.306 -4.006 1.00 0.32 H new ATOM 0 HE1 PHE A 27 2.908 0.718 0.864 1.00 0.40 H new ATOM 0 HE2 PHE A 27 0.170 0.496 -2.436 1.00 0.35 H new ATOM 0 HZ PHE A 27 0.584 0.698 -0.002 1.00 0.35 H new ATOM 431 N LYS A 28 4.766 -2.633 -4.551 1.00 0.28 N ATOM 432 CA LYS A 28 4.059 -3.909 -4.890 1.00 0.29 C ATOM 433 C LYS A 28 4.866 -5.109 -4.371 1.00 0.30 C ATOM 434 O LYS A 28 4.302 -6.111 -3.967 1.00 0.32 O ATOM 435 CB LYS A 28 3.916 -4.018 -6.409 1.00 0.35 C ATOM 436 CG LYS A 28 2.686 -3.236 -6.865 1.00 0.43 C ATOM 437 CD LYS A 28 2.151 -3.845 -8.163 1.00 0.77 C ATOM 438 CE LYS A 28 2.037 -2.758 -9.233 1.00 0.68 C ATOM 439 NZ LYS A 28 0.867 -1.881 -8.939 1.00 0.91 N ATOM 0 H LYS A 28 5.151 -2.132 -5.352 1.00 0.28 H new ATOM 0 HA LYS A 28 3.074 -3.909 -4.423 1.00 0.29 H new ATOM 0 HB2 LYS A 28 4.809 -3.628 -6.897 1.00 0.35 H new ATOM 0 HB3 LYS A 28 3.824 -5.064 -6.702 1.00 0.35 H new ATOM 0 HG2 LYS A 28 1.917 -3.263 -6.093 1.00 0.43 H new ATOM 0 HG3 LYS A 28 2.944 -2.189 -7.021 1.00 0.43 H new ATOM 0 HD2 LYS A 28 2.816 -4.638 -8.505 1.00 0.77 H new ATOM 0 HD3 LYS A 28 1.176 -4.300 -7.988 1.00 0.77 H new ATOM 0 HE2 LYS A 28 2.951 -2.164 -9.260 1.00 0.68 H new ATOM 0 HE3 LYS A 28 1.924 -3.214 -10.217 1.00 0.68 H new ATOM 0 HZ1 LYS A 28 0.853 -1.085 -9.609 1.00 0.91 H new ATOM 0 HZ2 LYS A 28 -0.011 -2.430 -9.035 1.00 0.91 H new ATOM 0 HZ3 LYS A 28 0.943 -1.515 -7.968 1.00 0.91 H new ATOM 453 N LYS A 29 6.178 -5.016 -4.389 1.00 0.33 N ATOM 454 CA LYS A 29 7.030 -6.149 -3.908 1.00 0.37 C ATOM 455 C LYS A 29 6.844 -6.346 -2.395 1.00 0.33 C ATOM 456 O LYS A 29 6.742 -7.464 -1.923 1.00 0.37 O ATOM 457 CB LYS A 29 8.503 -5.856 -4.211 1.00 0.47 C ATOM 458 CG LYS A 29 8.768 -6.078 -5.701 1.00 0.53 C ATOM 459 CD LYS A 29 10.272 -6.209 -5.946 1.00 1.02 C ATOM 460 CE LYS A 29 10.592 -5.847 -7.400 1.00 1.65 C ATOM 461 NZ LYS A 29 11.442 -4.621 -7.432 1.00 2.47 N ATOM 0 H LYS A 29 6.694 -4.200 -4.718 1.00 0.33 H new ATOM 0 HA LYS A 29 6.729 -7.060 -4.425 1.00 0.37 H new ATOM 0 HB2 LYS A 29 8.745 -4.829 -3.936 1.00 0.47 H new ATOM 0 HB3 LYS A 29 9.145 -6.505 -3.615 1.00 0.47 H new ATOM 0 HG2 LYS A 29 8.255 -6.978 -6.041 1.00 0.53 H new ATOM 0 HG3 LYS A 29 8.367 -5.245 -6.279 1.00 0.53 H new ATOM 0 HD2 LYS A 29 10.819 -5.553 -5.269 1.00 1.02 H new ATOM 0 HD3 LYS A 29 10.597 -7.228 -5.735 1.00 1.02 H new ATOM 0 HE2 LYS A 29 11.109 -6.674 -7.886 1.00 1.65 H new ATOM 0 HE3 LYS A 29 9.669 -5.677 -7.955 1.00 1.65 H new ATOM 0 HZ1 LYS A 29 11.659 -4.375 -8.419 1.00 2.47 H new ATOM 0 HZ2 LYS A 29 10.932 -3.833 -6.983 1.00 2.47 H new ATOM 0 HZ3 LYS A 29 12.328 -4.799 -6.916 1.00 2.47 H new ATOM 475 N VAL A 30 6.792 -5.275 -1.631 1.00 0.32 N ATOM 476 CA VAL A 30 6.603 -5.415 -0.149 1.00 0.33 C ATOM 477 C VAL A 30 5.194 -5.968 0.134 1.00 0.27 C ATOM 478 O VAL A 30 5.001 -6.748 1.050 1.00 0.31 O ATOM 479 CB VAL A 30 6.771 -4.050 0.539 1.00 0.40 C ATOM 480 CG1 VAL A 30 6.689 -4.225 2.060 1.00 0.45 C ATOM 481 CG2 VAL A 30 8.138 -3.457 0.179 1.00 0.47 C ATOM 0 H VAL A 30 6.872 -4.316 -1.969 1.00 0.32 H new ATOM 0 HA VAL A 30 7.353 -6.101 0.244 1.00 0.33 H new ATOM 0 HB VAL A 30 5.979 -3.382 0.202 1.00 0.40 H new ATOM 0 HG11 VAL A 30 6.808 -3.256 2.545 1.00 0.45 H new ATOM 0 HG12 VAL A 30 5.720 -4.647 2.326 1.00 0.45 H new ATOM 0 HG13 VAL A 30 7.480 -4.897 2.392 1.00 0.45 H new ATOM 0 HG21 VAL A 30 8.255 -2.490 0.668 1.00 0.47 H new ATOM 0 HG22 VAL A 30 8.927 -4.131 0.514 1.00 0.47 H new ATOM 0 HG23 VAL A 30 8.206 -3.328 -0.901 1.00 0.47 H new ATOM 491 N LEU A 31 4.217 -5.579 -0.656 1.00 0.24 N ATOM 492 CA LEU A 31 2.824 -6.084 -0.449 1.00 0.24 C ATOM 493 C LEU A 31 2.738 -7.552 -0.886 1.00 0.22 C ATOM 494 O LEU A 31 2.202 -8.381 -0.177 1.00 0.26 O ATOM 495 CB LEU A 31 1.851 -5.247 -1.284 1.00 0.27 C ATOM 496 CG LEU A 31 1.296 -4.098 -0.440 1.00 0.33 C ATOM 497 CD1 LEU A 31 1.049 -2.881 -1.335 1.00 0.48 C ATOM 498 CD2 LEU A 31 -0.025 -4.531 0.208 1.00 0.68 C ATOM 0 H LEU A 31 4.328 -4.932 -1.436 1.00 0.24 H new ATOM 0 HA LEU A 31 2.563 -6.005 0.606 1.00 0.24 H new ATOM 0 HB2 LEU A 31 2.360 -4.851 -2.163 1.00 0.27 H new ATOM 0 HB3 LEU A 31 1.034 -5.873 -1.643 1.00 0.27 H new ATOM 0 HG LEU A 31 2.015 -3.838 0.337 1.00 0.33 H new ATOM 0 HD11 LEU A 31 0.654 -2.062 -0.734 1.00 0.48 H new ATOM 0 HD12 LEU A 31 1.987 -2.572 -1.797 1.00 0.48 H new ATOM 0 HD13 LEU A 31 0.330 -3.141 -2.112 1.00 0.48 H new ATOM 0 HD21 LEU A 31 -0.421 -3.713 0.809 1.00 0.68 H new ATOM 0 HD22 LEU A 31 -0.744 -4.791 -0.569 1.00 0.68 H new ATOM 0 HD23 LEU A 31 0.149 -5.398 0.845 1.00 0.68 H new ATOM 510 N SER A 32 3.264 -7.869 -2.052 1.00 0.23 N ATOM 511 CA SER A 32 3.220 -9.281 -2.565 1.00 0.25 C ATOM 512 C SER A 32 3.818 -10.259 -1.540 1.00 0.27 C ATOM 513 O SER A 32 3.476 -11.425 -1.528 1.00 0.33 O ATOM 514 CB SER A 32 4.004 -9.379 -3.880 1.00 0.30 C ATOM 515 OG SER A 32 5.353 -8.986 -3.670 1.00 0.41 O ATOM 0 H SER A 32 3.725 -7.204 -2.673 1.00 0.23 H new ATOM 0 HA SER A 32 2.177 -9.550 -2.734 1.00 0.25 H new ATOM 0 HB2 SER A 32 3.969 -10.400 -4.259 1.00 0.30 H new ATOM 0 HB3 SER A 32 3.544 -8.742 -4.636 1.00 0.30 H new ATOM 0 HG SER A 32 5.432 -8.538 -2.802 1.00 0.41 H new ATOM 521 N LEU A 33 4.702 -9.799 -0.683 1.00 0.27 N ATOM 522 CA LEU A 33 5.308 -10.709 0.338 1.00 0.32 C ATOM 523 C LEU A 33 4.267 -11.046 1.418 1.00 0.31 C ATOM 524 O LEU A 33 4.249 -12.143 1.947 1.00 0.36 O ATOM 525 CB LEU A 33 6.513 -10.020 0.987 1.00 0.40 C ATOM 526 CG LEU A 33 7.735 -10.157 0.073 1.00 0.46 C ATOM 527 CD1 LEU A 33 8.727 -9.030 0.374 1.00 0.57 C ATOM 528 CD2 LEU A 33 8.411 -11.508 0.320 1.00 0.82 C ATOM 0 H LEU A 33 5.028 -8.833 -0.649 1.00 0.27 H new ATOM 0 HA LEU A 33 5.632 -11.629 -0.148 1.00 0.32 H new ATOM 0 HB2 LEU A 33 6.293 -8.967 1.161 1.00 0.40 H new ATOM 0 HB3 LEU A 33 6.721 -10.467 1.959 1.00 0.40 H new ATOM 0 HG LEU A 33 7.417 -10.095 -0.968 1.00 0.46 H new ATOM 0 HD11 LEU A 33 9.596 -9.127 -0.276 1.00 0.57 H new ATOM 0 HD12 LEU A 33 8.248 -8.067 0.198 1.00 0.57 H new ATOM 0 HD13 LEU A 33 9.044 -9.092 1.415 1.00 0.57 H new ATOM 0 HD21 LEU A 33 9.280 -11.604 -0.331 1.00 0.82 H new ATOM 0 HD22 LEU A 33 8.728 -11.571 1.361 1.00 0.82 H new ATOM 0 HD23 LEU A 33 7.707 -12.312 0.106 1.00 0.82 H new ATOM 540 N GLN A 34 3.407 -10.107 1.749 1.00 0.29 N ATOM 541 CA GLN A 34 2.368 -10.355 2.799 1.00 0.31 C ATOM 542 C GLN A 34 1.159 -11.089 2.196 1.00 0.31 C ATOM 543 O GLN A 34 0.729 -12.106 2.711 1.00 0.43 O ATOM 544 CB GLN A 34 1.908 -9.016 3.386 1.00 0.34 C ATOM 545 CG GLN A 34 3.044 -8.401 4.209 1.00 0.42 C ATOM 546 CD GLN A 34 2.664 -6.977 4.626 1.00 0.46 C ATOM 547 OE1 GLN A 34 2.312 -6.739 5.765 1.00 0.70 O ATOM 548 NE2 GLN A 34 2.721 -6.012 3.747 1.00 0.54 N ATOM 0 H GLN A 34 3.382 -9.176 1.333 1.00 0.29 H new ATOM 0 HA GLN A 34 2.802 -10.975 3.583 1.00 0.31 H new ATOM 0 HB2 GLN A 34 1.616 -8.337 2.585 1.00 0.34 H new ATOM 0 HB3 GLN A 34 1.029 -9.165 4.014 1.00 0.34 H new ATOM 0 HG2 GLN A 34 3.238 -9.010 5.092 1.00 0.42 H new ATOM 0 HG3 GLN A 34 3.964 -8.386 3.624 1.00 0.42 H new ATOM 0 HE21 GLN A 34 3.016 -6.210 2.791 1.00 0.54 H new ATOM 0 HE22 GLN A 34 2.470 -5.061 4.017 1.00 0.54 H new ATOM 557 N ILE A 35 0.599 -10.577 1.120 1.00 0.31 N ATOM 558 CA ILE A 35 -0.597 -11.240 0.493 1.00 0.34 C ATOM 559 C ILE A 35 -0.174 -12.449 -0.355 1.00 0.34 C ATOM 560 O ILE A 35 -0.974 -13.331 -0.614 1.00 0.44 O ATOM 561 CB ILE A 35 -1.367 -10.247 -0.398 1.00 0.33 C ATOM 562 CG1 ILE A 35 -0.395 -9.436 -1.267 1.00 0.31 C ATOM 563 CG2 ILE A 35 -2.181 -9.292 0.476 1.00 0.42 C ATOM 564 CD1 ILE A 35 -1.181 -8.577 -2.262 1.00 0.36 C ATOM 0 H ILE A 35 0.918 -9.730 0.649 1.00 0.31 H new ATOM 0 HA ILE A 35 -1.244 -11.578 1.302 1.00 0.34 H new ATOM 0 HB ILE A 35 -2.035 -10.812 -1.048 1.00 0.33 H new ATOM 0 HG12 ILE A 35 0.227 -8.801 -0.637 1.00 0.31 H new ATOM 0 HG13 ILE A 35 0.275 -10.108 -1.803 1.00 0.31 H new ATOM 0 HG21 ILE A 35 -2.724 -8.591 -0.158 1.00 0.42 H new ATOM 0 HG22 ILE A 35 -2.890 -9.863 1.076 1.00 0.42 H new ATOM 0 HG23 ILE A 35 -1.510 -8.740 1.134 1.00 0.42 H new ATOM 0 HD11 ILE A 35 -0.486 -8.004 -2.876 1.00 0.36 H new ATOM 0 HD12 ILE A 35 -1.784 -9.221 -2.902 1.00 0.36 H new ATOM 0 HD13 ILE A 35 -1.833 -7.894 -1.717 1.00 0.36 H new ATOM 576 N GLY A 36 1.061 -12.495 -0.803 1.00 0.31 N ATOM 577 CA GLY A 36 1.515 -13.643 -1.650 1.00 0.35 C ATOM 578 C GLY A 36 0.794 -13.577 -3.000 1.00 0.32 C ATOM 579 O GLY A 36 0.368 -14.583 -3.537 1.00 0.40 O ATOM 0 H GLY A 36 1.772 -11.787 -0.618 1.00 0.31 H new ATOM 0 HA2 GLY A 36 2.594 -13.600 -1.796 1.00 0.35 H new ATOM 0 HA3 GLY A 36 1.298 -14.588 -1.152 1.00 0.35 H new ATOM 583 N THR A 37 0.642 -12.388 -3.537 1.00 0.28 N ATOM 584 CA THR A 37 -0.067 -12.216 -4.843 1.00 0.29 C ATOM 585 C THR A 37 0.924 -11.780 -5.939 1.00 0.31 C ATOM 586 O THR A 37 0.551 -11.654 -7.091 1.00 0.37 O ATOM 587 CB THR A 37 -1.156 -11.141 -4.679 1.00 0.27 C ATOM 588 OG1 THR A 37 -1.795 -11.290 -3.415 1.00 0.34 O ATOM 589 CG2 THR A 37 -2.200 -11.276 -5.788 1.00 0.34 C ATOM 0 H THR A 37 0.983 -11.522 -3.120 1.00 0.28 H new ATOM 0 HA THR A 37 -0.516 -13.165 -5.137 1.00 0.29 H new ATOM 0 HB THR A 37 -0.689 -10.158 -4.740 1.00 0.27 H new ATOM 0 HG1 THR A 37 -2.650 -10.812 -3.422 1.00 0.34 H new ATOM 0 HG21 THR A 37 -2.966 -10.510 -5.662 1.00 0.34 H new ATOM 0 HG22 THR A 37 -1.719 -11.152 -6.758 1.00 0.34 H new ATOM 0 HG23 THR A 37 -2.661 -12.262 -5.736 1.00 0.34 H new ATOM 597 N GLN A 38 2.178 -11.546 -5.587 1.00 0.32 N ATOM 598 CA GLN A 38 3.206 -11.111 -6.594 1.00 0.37 C ATOM 599 C GLN A 38 2.863 -9.709 -7.130 1.00 0.36 C ATOM 600 O GLN A 38 1.719 -9.295 -7.100 1.00 0.34 O ATOM 601 CB GLN A 38 3.264 -12.108 -7.762 1.00 0.44 C ATOM 602 CG GLN A 38 4.001 -13.377 -7.322 1.00 0.60 C ATOM 603 CD GLN A 38 2.986 -14.447 -6.912 1.00 0.90 C ATOM 604 OE1 GLN A 38 2.735 -14.646 -5.740 1.00 1.24 O ATOM 605 NE2 GLN A 38 2.385 -15.151 -7.835 1.00 1.22 N ATOM 0 H GLN A 38 2.531 -11.640 -4.635 1.00 0.32 H new ATOM 0 HA GLN A 38 4.179 -11.080 -6.103 1.00 0.37 H new ATOM 0 HB2 GLN A 38 2.255 -12.357 -8.090 1.00 0.44 H new ATOM 0 HB3 GLN A 38 3.774 -11.657 -8.613 1.00 0.44 H new ATOM 0 HG2 GLN A 38 4.625 -13.747 -8.135 1.00 0.60 H new ATOM 0 HG3 GLN A 38 4.665 -13.153 -6.487 1.00 0.60 H new ATOM 0 HE21 GLN A 38 2.594 -14.986 -8.820 1.00 1.22 H new ATOM 0 HE22 GLN A 38 1.707 -15.866 -7.571 1.00 1.22 H new ATOM 614 N PRO A 39 3.872 -9.020 -7.615 1.00 0.43 N ATOM 615 CA PRO A 39 3.710 -7.660 -8.172 1.00 0.50 C ATOM 616 C PRO A 39 3.024 -7.709 -9.550 1.00 0.52 C ATOM 617 O PRO A 39 2.542 -6.705 -10.042 1.00 0.67 O ATOM 618 CB PRO A 39 5.148 -7.141 -8.279 1.00 0.62 C ATOM 619 CG PRO A 39 6.060 -8.389 -8.316 1.00 0.63 C ATOM 620 CD PRO A 39 5.260 -9.533 -7.666 1.00 0.52 C ATOM 0 HA PRO A 39 3.079 -7.018 -7.557 1.00 0.50 H new ATOM 0 HB2 PRO A 39 5.278 -6.538 -9.178 1.00 0.62 H new ATOM 0 HB3 PRO A 39 5.395 -6.504 -7.430 1.00 0.62 H new ATOM 0 HG2 PRO A 39 6.333 -8.640 -9.341 1.00 0.63 H new ATOM 0 HG3 PRO A 39 6.988 -8.208 -7.774 1.00 0.63 H new ATOM 0 HD2 PRO A 39 5.325 -10.449 -8.254 1.00 0.52 H new ATOM 0 HD3 PRO A 39 5.636 -9.766 -6.670 1.00 0.52 H new ATOM 628 N ASN A 40 2.971 -8.871 -10.168 1.00 0.47 N ATOM 629 CA ASN A 40 2.313 -8.998 -11.505 1.00 0.53 C ATOM 630 C ASN A 40 0.788 -9.131 -11.335 1.00 0.47 C ATOM 631 O ASN A 40 0.036 -8.827 -12.244 1.00 0.62 O ATOM 632 CB ASN A 40 2.855 -10.240 -12.222 1.00 0.61 C ATOM 633 CG ASN A 40 4.156 -9.889 -12.951 1.00 1.21 C ATOM 634 OD1 ASN A 40 5.230 -10.023 -12.397 1.00 1.71 O ATOM 635 ND2 ASN A 40 4.108 -9.445 -14.180 1.00 1.71 N ATOM 0 H ASN A 40 3.359 -9.739 -9.798 1.00 0.47 H new ATOM 0 HA ASN A 40 2.529 -8.107 -12.094 1.00 0.53 H new ATOM 0 HB2 ASN A 40 3.034 -11.038 -11.502 1.00 0.61 H new ATOM 0 HB3 ASN A 40 2.117 -10.612 -12.933 1.00 0.61 H new ATOM 0 HD21 ASN A 40 4.970 -9.212 -14.672 1.00 1.71 H new ATOM 0 HD22 ASN A 40 3.208 -9.332 -14.647 1.00 1.71 H new ATOM 642 N LYS A 41 0.325 -9.589 -10.187 1.00 0.35 N ATOM 643 CA LYS A 41 -1.149 -9.746 -9.972 1.00 0.33 C ATOM 644 C LYS A 41 -1.664 -8.741 -8.924 1.00 0.28 C ATOM 645 O LYS A 41 -2.779 -8.861 -8.447 1.00 0.36 O ATOM 646 CB LYS A 41 -1.439 -11.174 -9.498 1.00 0.37 C ATOM 647 CG LYS A 41 -2.830 -11.600 -9.973 1.00 0.62 C ATOM 648 CD LYS A 41 -2.705 -12.815 -10.893 1.00 1.26 C ATOM 649 CE LYS A 41 -4.101 -13.298 -11.295 1.00 1.81 C ATOM 650 NZ LYS A 41 -4.539 -14.392 -10.378 1.00 2.78 N ATOM 0 H LYS A 41 0.907 -9.859 -9.394 1.00 0.35 H new ATOM 0 HA LYS A 41 -1.662 -9.551 -10.914 1.00 0.33 H new ATOM 0 HB2 LYS A 41 -0.685 -11.858 -9.888 1.00 0.37 H new ATOM 0 HB3 LYS A 41 -1.383 -11.225 -8.411 1.00 0.37 H new ATOM 0 HG2 LYS A 41 -3.460 -11.842 -9.117 1.00 0.62 H new ATOM 0 HG3 LYS A 41 -3.313 -10.778 -10.502 1.00 0.62 H new ATOM 0 HD2 LYS A 41 -2.129 -12.554 -11.781 1.00 1.26 H new ATOM 0 HD3 LYS A 41 -2.164 -13.614 -10.386 1.00 1.26 H new ATOM 0 HE2 LYS A 41 -4.809 -12.470 -11.253 1.00 1.81 H new ATOM 0 HE3 LYS A 41 -4.090 -13.656 -12.324 1.00 1.81 H new ATOM 0 HZ1 LYS A 41 -5.487 -14.717 -10.654 1.00 2.78 H new ATOM 0 HZ2 LYS A 41 -3.869 -15.185 -10.439 1.00 2.78 H new ATOM 0 HZ3 LYS A 41 -4.566 -14.036 -9.401 1.00 2.78 H new ATOM 664 N ILE A 42 -0.874 -7.751 -8.568 1.00 0.26 N ATOM 665 CA ILE A 42 -1.340 -6.747 -7.561 1.00 0.24 C ATOM 666 C ILE A 42 -1.656 -5.420 -8.268 1.00 0.25 C ATOM 667 O ILE A 42 -0.835 -4.872 -8.982 1.00 0.37 O ATOM 668 CB ILE A 42 -0.252 -6.528 -6.496 1.00 0.27 C ATOM 669 CG1 ILE A 42 -0.217 -7.733 -5.546 1.00 0.31 C ATOM 670 CG2 ILE A 42 -0.565 -5.264 -5.690 1.00 0.32 C ATOM 671 CD1 ILE A 42 1.072 -7.706 -4.720 1.00 0.37 C ATOM 0 H ILE A 42 0.067 -7.598 -8.930 1.00 0.26 H new ATOM 0 HA ILE A 42 -2.241 -7.118 -7.073 1.00 0.24 H new ATOM 0 HB ILE A 42 0.714 -6.417 -6.988 1.00 0.27 H new ATOM 0 HG12 ILE A 42 -1.084 -7.712 -4.885 1.00 0.31 H new ATOM 0 HG13 ILE A 42 -0.274 -8.660 -6.117 1.00 0.31 H new ATOM 0 HG21 ILE A 42 0.208 -5.112 -4.937 1.00 0.32 H new ATOM 0 HG22 ILE A 42 -0.594 -4.404 -6.359 1.00 0.32 H new ATOM 0 HG23 ILE A 42 -1.532 -5.375 -5.200 1.00 0.32 H new ATOM 0 HD11 ILE A 42 1.091 -8.564 -4.048 1.00 0.37 H new ATOM 0 HD12 ILE A 42 1.933 -7.749 -5.387 1.00 0.37 H new ATOM 0 HD13 ILE A 42 1.111 -6.786 -4.136 1.00 0.37 H new ATOM 683 N VAL A 43 -2.846 -4.908 -8.059 1.00 0.24 N ATOM 684 CA VAL A 43 -3.254 -3.615 -8.691 1.00 0.26 C ATOM 685 C VAL A 43 -3.572 -2.610 -7.574 1.00 0.24 C ATOM 686 O VAL A 43 -4.618 -2.673 -6.951 1.00 0.31 O ATOM 687 CB VAL A 43 -4.502 -3.832 -9.562 1.00 0.32 C ATOM 688 CG1 VAL A 43 -4.908 -2.507 -10.215 1.00 0.41 C ATOM 689 CG2 VAL A 43 -4.204 -4.864 -10.657 1.00 0.45 C ATOM 0 H VAL A 43 -3.560 -5.337 -7.470 1.00 0.24 H new ATOM 0 HA VAL A 43 -2.449 -3.236 -9.320 1.00 0.26 H new ATOM 0 HB VAL A 43 -5.314 -4.197 -8.933 1.00 0.32 H new ATOM 0 HG11 VAL A 43 -5.793 -2.662 -10.832 1.00 0.41 H new ATOM 0 HG12 VAL A 43 -5.130 -1.773 -9.441 1.00 0.41 H new ATOM 0 HG13 VAL A 43 -4.091 -2.143 -10.837 1.00 0.41 H new ATOM 0 HG21 VAL A 43 -5.093 -5.012 -11.269 1.00 0.45 H new ATOM 0 HG22 VAL A 43 -3.388 -4.504 -11.283 1.00 0.45 H new ATOM 0 HG23 VAL A 43 -3.919 -5.810 -10.197 1.00 0.45 H new ATOM 699 N LEU A 44 -2.672 -1.694 -7.311 1.00 0.22 N ATOM 700 CA LEU A 44 -2.908 -0.690 -6.226 1.00 0.24 C ATOM 701 C LEU A 44 -3.407 0.628 -6.826 1.00 0.25 C ATOM 702 O LEU A 44 -2.998 1.024 -7.903 1.00 0.32 O ATOM 703 CB LEU A 44 -1.600 -0.442 -5.468 1.00 0.32 C ATOM 704 CG LEU A 44 -1.249 -1.678 -4.634 1.00 0.36 C ATOM 705 CD1 LEU A 44 0.266 -1.875 -4.632 1.00 0.41 C ATOM 706 CD2 LEU A 44 -1.743 -1.483 -3.197 1.00 0.49 C ATOM 0 H LEU A 44 -1.783 -1.598 -7.801 1.00 0.22 H new ATOM 0 HA LEU A 44 -3.663 -1.077 -5.542 1.00 0.24 H new ATOM 0 HB2 LEU A 44 -0.796 -0.224 -6.171 1.00 0.32 H new ATOM 0 HB3 LEU A 44 -1.702 0.429 -4.821 1.00 0.32 H new ATOM 0 HG LEU A 44 -1.729 -2.557 -5.065 1.00 0.36 H new ATOM 0 HD11 LEU A 44 0.518 -2.754 -4.039 1.00 0.41 H new ATOM 0 HD12 LEU A 44 0.616 -2.015 -5.655 1.00 0.41 H new ATOM 0 HD13 LEU A 44 0.747 -0.997 -4.201 1.00 0.41 H new ATOM 0 HD21 LEU A 44 -1.493 -2.363 -2.604 1.00 0.49 H new ATOM 0 HD22 LEU A 44 -1.264 -0.605 -2.764 1.00 0.49 H new ATOM 0 HD23 LEU A 44 -2.824 -1.342 -3.200 1.00 0.49 H new ATOM 718 N GLN A 45 -4.291 1.310 -6.131 1.00 0.27 N ATOM 719 CA GLN A 45 -4.829 2.608 -6.648 1.00 0.31 C ATOM 720 C GLN A 45 -4.755 3.677 -5.549 1.00 0.32 C ATOM 721 O GLN A 45 -5.071 3.423 -4.400 1.00 0.40 O ATOM 722 CB GLN A 45 -6.291 2.429 -7.083 1.00 0.33 C ATOM 723 CG GLN A 45 -6.440 1.157 -7.927 1.00 0.39 C ATOM 724 CD GLN A 45 -7.525 1.370 -8.986 1.00 0.61 C ATOM 725 OE1 GLN A 45 -7.230 1.470 -10.160 1.00 0.96 O ATOM 726 NE2 GLN A 45 -8.777 1.446 -8.619 1.00 0.97 N ATOM 0 H GLN A 45 -4.662 1.021 -5.226 1.00 0.27 H new ATOM 0 HA GLN A 45 -4.231 2.923 -7.503 1.00 0.31 H new ATOM 0 HB2 GLN A 45 -6.935 2.369 -6.205 1.00 0.33 H new ATOM 0 HB3 GLN A 45 -6.616 3.296 -7.658 1.00 0.33 H new ATOM 0 HG2 GLN A 45 -5.492 0.913 -8.406 1.00 0.39 H new ATOM 0 HG3 GLN A 45 -6.701 0.313 -7.289 1.00 0.39 H new ATOM 0 HE21 GLN A 45 -9.026 1.362 -7.633 1.00 0.97 H new ATOM 0 HE22 GLN A 45 -9.506 1.589 -9.318 1.00 0.97 H new ATOM 735 N LYS A 46 -4.344 4.875 -5.902 1.00 0.36 N ATOM 736 CA LYS A 46 -4.247 5.979 -4.894 1.00 0.40 C ATOM 737 C LYS A 46 -5.656 6.466 -4.531 1.00 0.43 C ATOM 738 O LYS A 46 -6.041 6.469 -3.376 1.00 0.51 O ATOM 739 CB LYS A 46 -3.440 7.143 -5.487 1.00 0.47 C ATOM 740 CG LYS A 46 -2.224 7.434 -4.601 1.00 0.71 C ATOM 741 CD LYS A 46 -2.562 8.558 -3.615 1.00 0.98 C ATOM 742 CE LYS A 46 -2.052 8.189 -2.217 1.00 1.42 C ATOM 743 NZ LYS A 46 -3.178 8.244 -1.241 1.00 1.78 N ATOM 0 H LYS A 46 -4.071 5.135 -6.850 1.00 0.36 H new ATOM 0 HA LYS A 46 -3.748 5.610 -3.998 1.00 0.40 H new ATOM 0 HB2 LYS A 46 -3.115 6.895 -6.497 1.00 0.47 H new ATOM 0 HB3 LYS A 46 -4.067 8.031 -5.563 1.00 0.47 H new ATOM 0 HG2 LYS A 46 -1.934 6.535 -4.057 1.00 0.71 H new ATOM 0 HG3 LYS A 46 -1.373 7.722 -5.218 1.00 0.71 H new ATOM 0 HD2 LYS A 46 -2.107 9.492 -3.944 1.00 0.98 H new ATOM 0 HD3 LYS A 46 -3.640 8.720 -3.589 1.00 0.98 H new ATOM 0 HE2 LYS A 46 -1.618 7.189 -2.230 1.00 1.42 H new ATOM 0 HE3 LYS A 46 -1.262 8.876 -1.914 1.00 1.42 H new ATOM 0 HZ1 LYS A 46 -2.799 8.229 -0.273 1.00 1.78 H new ATOM 0 HZ2 LYS A 46 -3.722 9.119 -1.387 1.00 1.78 H new ATOM 0 HZ3 LYS A 46 -3.800 7.422 -1.382 1.00 1.78 H new ATOM 757 N GLY A 47 -6.422 6.875 -5.517 1.00 0.49 N ATOM 758 CA GLY A 47 -7.812 7.364 -5.260 1.00 0.56 C ATOM 759 C GLY A 47 -8.578 7.397 -6.585 1.00 0.59 C ATOM 760 O GLY A 47 -8.938 8.453 -7.074 1.00 0.78 O ATOM 0 H GLY A 47 -6.139 6.890 -6.497 1.00 0.49 H new ATOM 0 HA2 GLY A 47 -8.316 6.710 -4.549 1.00 0.56 H new ATOM 0 HA3 GLY A 47 -7.786 8.359 -4.815 1.00 0.56 H new ATOM 764 N GLY A 48 -8.812 6.247 -7.171 1.00 0.52 N ATOM 765 CA GLY A 48 -9.540 6.190 -8.477 1.00 0.61 C ATOM 766 C GLY A 48 -8.537 6.027 -9.635 1.00 0.63 C ATOM 767 O GLY A 48 -8.931 5.862 -10.775 1.00 0.95 O ATOM 0 H GLY A 48 -8.528 5.341 -6.798 1.00 0.52 H new ATOM 0 HA2 GLY A 48 -10.243 5.357 -8.474 1.00 0.61 H new ATOM 0 HA3 GLY A 48 -10.124 7.100 -8.617 1.00 0.61 H new ATOM 771 N SER A 49 -7.250 6.073 -9.351 1.00 0.53 N ATOM 772 CA SER A 49 -6.220 5.920 -10.428 1.00 0.54 C ATOM 773 C SER A 49 -5.267 4.773 -10.063 1.00 0.43 C ATOM 774 O SER A 49 -4.910 4.596 -8.912 1.00 0.40 O ATOM 775 CB SER A 49 -5.428 7.226 -10.572 1.00 0.63 C ATOM 776 OG SER A 49 -4.904 7.611 -9.305 1.00 0.65 O ATOM 0 H SER A 49 -6.872 6.211 -8.414 1.00 0.53 H new ATOM 0 HA SER A 49 -6.713 5.694 -11.374 1.00 0.54 H new ATOM 0 HB2 SER A 49 -4.616 7.093 -11.287 1.00 0.63 H new ATOM 0 HB3 SER A 49 -6.073 8.012 -10.964 1.00 0.63 H new ATOM 0 HG SER A 49 -4.397 8.444 -9.400 1.00 0.65 H new ATOM 782 N VAL A 50 -4.860 3.990 -11.036 1.00 0.44 N ATOM 783 CA VAL A 50 -3.938 2.841 -10.756 1.00 0.38 C ATOM 784 C VAL A 50 -2.489 3.339 -10.627 1.00 0.34 C ATOM 785 O VAL A 50 -2.055 4.221 -11.348 1.00 0.43 O ATOM 786 CB VAL A 50 -4.041 1.811 -11.894 1.00 0.48 C ATOM 787 CG1 VAL A 50 -3.417 2.374 -13.177 1.00 0.56 C ATOM 788 CG2 VAL A 50 -3.306 0.526 -11.493 1.00 0.53 C ATOM 0 H VAL A 50 -5.127 4.098 -12.014 1.00 0.44 H new ATOM 0 HA VAL A 50 -4.229 2.372 -9.816 1.00 0.38 H new ATOM 0 HB VAL A 50 -5.093 1.592 -12.076 1.00 0.48 H new ATOM 0 HG11 VAL A 50 -3.496 1.635 -13.975 1.00 0.56 H new ATOM 0 HG12 VAL A 50 -3.944 3.282 -13.470 1.00 0.56 H new ATOM 0 HG13 VAL A 50 -2.367 2.605 -13.000 1.00 0.56 H new ATOM 0 HG21 VAL A 50 -3.380 -0.203 -12.300 1.00 0.53 H new ATOM 0 HG22 VAL A 50 -2.257 0.751 -11.303 1.00 0.53 H new ATOM 0 HG23 VAL A 50 -3.758 0.115 -10.591 1.00 0.53 H new ATOM 798 N LEU A 51 -1.738 2.764 -9.714 1.00 0.30 N ATOM 799 CA LEU A 51 -0.312 3.177 -9.529 1.00 0.33 C ATOM 800 C LEU A 51 0.583 2.273 -10.384 1.00 0.35 C ATOM 801 O LEU A 51 0.365 1.077 -10.475 1.00 0.55 O ATOM 802 CB LEU A 51 0.089 3.055 -8.050 1.00 0.39 C ATOM 803 CG LEU A 51 -1.015 3.630 -7.152 1.00 0.37 C ATOM 804 CD1 LEU A 51 -0.653 3.410 -5.683 1.00 0.51 C ATOM 805 CD2 LEU A 51 -1.164 5.132 -7.411 1.00 0.42 C ATOM 0 H LEU A 51 -2.055 2.024 -9.088 1.00 0.30 H new ATOM 0 HA LEU A 51 -0.193 4.216 -9.837 1.00 0.33 H new ATOM 0 HB2 LEU A 51 0.264 2.009 -7.798 1.00 0.39 H new ATOM 0 HB3 LEU A 51 1.024 3.586 -7.874 1.00 0.39 H new ATOM 0 HG LEU A 51 -1.954 3.125 -7.378 1.00 0.37 H new ATOM 0 HD11 LEU A 51 -1.439 3.820 -5.049 1.00 0.51 H new ATOM 0 HD12 LEU A 51 -0.550 2.342 -5.490 1.00 0.51 H new ATOM 0 HD13 LEU A 51 0.289 3.911 -5.462 1.00 0.51 H new ATOM 0 HD21 LEU A 51 -1.949 5.535 -6.771 1.00 0.42 H new ATOM 0 HD22 LEU A 51 -0.222 5.634 -7.191 1.00 0.42 H new ATOM 0 HD23 LEU A 51 -1.427 5.297 -8.456 1.00 0.42 H new ATOM 817 N LYS A 52 1.583 2.839 -11.021 1.00 0.32 N ATOM 818 CA LYS A 52 2.493 2.026 -11.886 1.00 0.36 C ATOM 819 C LYS A 52 3.923 2.069 -11.333 1.00 0.32 C ATOM 820 O LYS A 52 4.358 3.067 -10.787 1.00 0.33 O ATOM 821 CB LYS A 52 2.474 2.592 -13.309 1.00 0.47 C ATOM 822 CG LYS A 52 1.768 1.610 -14.245 1.00 0.94 C ATOM 823 CD LYS A 52 2.384 1.709 -15.643 1.00 1.21 C ATOM 824 CE LYS A 52 2.250 0.364 -16.361 1.00 1.49 C ATOM 825 NZ LYS A 52 3.158 0.338 -17.545 1.00 2.25 N ATOM 0 H LYS A 52 1.807 3.833 -10.977 1.00 0.32 H new ATOM 0 HA LYS A 52 2.150 0.991 -11.897 1.00 0.36 H new ATOM 0 HB2 LYS A 52 1.961 3.554 -13.321 1.00 0.47 H new ATOM 0 HB3 LYS A 52 3.493 2.770 -13.654 1.00 0.47 H new ATOM 0 HG2 LYS A 52 1.865 0.593 -13.864 1.00 0.94 H new ATOM 0 HG3 LYS A 52 0.702 1.834 -14.288 1.00 0.94 H new ATOM 0 HD2 LYS A 52 1.885 2.490 -16.217 1.00 1.21 H new ATOM 0 HD3 LYS A 52 3.435 1.990 -15.569 1.00 1.21 H new ATOM 0 HE2 LYS A 52 2.500 -0.450 -15.680 1.00 1.49 H new ATOM 0 HE3 LYS A 52 1.218 0.210 -16.677 1.00 1.49 H new ATOM 0 HZ1 LYS A 52 3.067 -0.576 -18.033 1.00 2.25 H new ATOM 0 HZ2 LYS A 52 2.900 1.106 -18.197 1.00 2.25 H new ATOM 0 HZ3 LYS A 52 4.141 0.466 -17.231 1.00 2.25 H new ATOM 839 N ASP A 53 4.648 0.981 -11.472 1.00 0.34 N ATOM 840 CA ASP A 53 6.056 0.916 -10.959 1.00 0.40 C ATOM 841 C ASP A 53 6.932 2.000 -11.608 1.00 0.43 C ATOM 842 O ASP A 53 7.899 2.452 -11.020 1.00 0.50 O ATOM 843 CB ASP A 53 6.650 -0.469 -11.264 1.00 0.48 C ATOM 844 CG ASP A 53 6.686 -0.710 -12.781 1.00 0.57 C ATOM 845 OD1 ASP A 53 5.661 -1.088 -13.329 1.00 0.69 O ATOM 846 OD2 ASP A 53 7.739 -0.516 -13.368 1.00 0.68 O ATOM 0 H ASP A 53 4.320 0.127 -11.924 1.00 0.34 H new ATOM 0 HA ASP A 53 6.037 1.086 -9.883 1.00 0.40 H new ATOM 0 HB2 ASP A 53 7.657 -0.539 -10.854 1.00 0.48 H new ATOM 0 HB3 ASP A 53 6.054 -1.243 -10.780 1.00 0.48 H new ATOM 851 N HIS A 54 6.611 2.410 -12.815 1.00 0.45 N ATOM 852 CA HIS A 54 7.429 3.455 -13.511 1.00 0.54 C ATOM 853 C HIS A 54 7.306 4.821 -12.807 1.00 0.51 C ATOM 854 O HIS A 54 8.073 5.726 -13.084 1.00 0.67 O ATOM 855 CB HIS A 54 6.949 3.584 -14.959 1.00 0.61 C ATOM 856 CG HIS A 54 7.391 2.375 -15.740 1.00 0.72 C ATOM 857 ND1 HIS A 54 6.563 1.283 -15.944 1.00 0.86 N ATOM 858 CD2 HIS A 54 8.576 2.069 -16.365 1.00 1.11 C ATOM 859 CE1 HIS A 54 7.253 0.379 -16.663 1.00 1.05 C ATOM 860 NE2 HIS A 54 8.486 0.809 -16.946 1.00 1.18 N ATOM 0 H HIS A 54 5.814 2.063 -13.349 1.00 0.45 H new ATOM 0 HA HIS A 54 8.475 3.151 -13.483 1.00 0.54 H new ATOM 0 HB2 HIS A 54 5.863 3.672 -14.988 1.00 0.61 H new ATOM 0 HB3 HIS A 54 7.355 4.490 -15.409 1.00 0.61 H new ATOM 0 HD2 HIS A 54 9.445 2.710 -16.400 1.00 1.11 H new ATOM 0 HE1 HIS A 54 6.858 -0.577 -16.973 1.00 1.05 H new ATOM 0 HE2 HIS A 54 9.207 0.318 -17.475 1.00 1.18 H new ATOM 868 N ILE A 55 6.359 4.982 -11.906 1.00 0.38 N ATOM 869 CA ILE A 55 6.205 6.294 -11.199 1.00 0.40 C ATOM 870 C ILE A 55 6.570 6.127 -9.717 1.00 0.34 C ATOM 871 O ILE A 55 6.292 5.108 -9.109 1.00 0.34 O ATOM 872 CB ILE A 55 4.754 6.779 -11.339 1.00 0.45 C ATOM 873 CG1 ILE A 55 4.457 7.071 -12.815 1.00 0.56 C ATOM 874 CG2 ILE A 55 4.551 8.062 -10.526 1.00 0.51 C ATOM 875 CD1 ILE A 55 3.815 5.846 -13.471 1.00 0.64 C ATOM 0 H ILE A 55 5.690 4.262 -11.633 1.00 0.38 H new ATOM 0 HA ILE A 55 6.872 7.033 -11.643 1.00 0.40 H new ATOM 0 HB ILE A 55 4.082 6.005 -10.969 1.00 0.45 H new ATOM 0 HG12 ILE A 55 3.790 7.929 -12.898 1.00 0.56 H new ATOM 0 HG13 ILE A 55 5.379 7.332 -13.335 1.00 0.56 H new ATOM 0 HG21 ILE A 55 3.520 8.400 -10.630 1.00 0.51 H new ATOM 0 HG22 ILE A 55 4.764 7.864 -9.475 1.00 0.51 H new ATOM 0 HG23 ILE A 55 5.225 8.836 -10.893 1.00 0.51 H new ATOM 0 HD11 ILE A 55 3.607 6.062 -14.519 1.00 0.64 H new ATOM 0 HD12 ILE A 55 4.496 4.998 -13.403 1.00 0.64 H new ATOM 0 HD13 ILE A 55 2.884 5.605 -12.959 1.00 0.64 H new ATOM 887 N SER A 56 7.196 7.127 -9.138 1.00 0.35 N ATOM 888 CA SER A 56 7.595 7.047 -7.699 1.00 0.33 C ATOM 889 C SER A 56 6.378 7.286 -6.793 1.00 0.31 C ATOM 890 O SER A 56 5.432 7.958 -7.171 1.00 0.35 O ATOM 891 CB SER A 56 8.672 8.099 -7.400 1.00 0.35 C ATOM 892 OG SER A 56 8.169 9.400 -7.689 1.00 0.46 O ATOM 0 H SER A 56 7.448 7.998 -9.605 1.00 0.35 H new ATOM 0 HA SER A 56 7.993 6.052 -7.501 1.00 0.33 H new ATOM 0 HB2 SER A 56 8.971 8.039 -6.354 1.00 0.35 H new ATOM 0 HB3 SER A 56 9.562 7.902 -7.998 1.00 0.35 H new ATOM 0 HG SER A 56 8.859 10.068 -7.495 1.00 0.46 H new ATOM 898 N LEU A 57 6.408 6.745 -5.596 1.00 0.31 N ATOM 899 CA LEU A 57 5.268 6.936 -4.642 1.00 0.33 C ATOM 900 C LEU A 57 5.116 8.430 -4.320 1.00 0.32 C ATOM 901 O LEU A 57 4.018 8.918 -4.120 1.00 0.38 O ATOM 902 CB LEU A 57 5.542 6.160 -3.349 1.00 0.38 C ATOM 903 CG LEU A 57 5.436 4.654 -3.613 1.00 0.43 C ATOM 904 CD1 LEU A 57 6.133 3.888 -2.486 1.00 0.50 C ATOM 905 CD2 LEU A 57 3.961 4.241 -3.671 1.00 0.60 C ATOM 0 H LEU A 57 7.176 6.177 -5.238 1.00 0.31 H new ATOM 0 HA LEU A 57 4.350 6.566 -5.097 1.00 0.33 H new ATOM 0 HB2 LEU A 57 6.535 6.403 -2.972 1.00 0.38 H new ATOM 0 HB3 LEU A 57 4.828 6.454 -2.580 1.00 0.38 H new ATOM 0 HG LEU A 57 5.914 4.422 -4.564 1.00 0.43 H new ATOM 0 HD11 LEU A 57 6.058 2.817 -2.673 1.00 0.50 H new ATOM 0 HD12 LEU A 57 7.183 4.176 -2.445 1.00 0.50 H new ATOM 0 HD13 LEU A 57 5.655 4.124 -1.535 1.00 0.50 H new ATOM 0 HD21 LEU A 57 3.890 3.170 -3.859 1.00 0.60 H new ATOM 0 HD22 LEU A 57 3.480 4.475 -2.721 1.00 0.60 H new ATOM 0 HD23 LEU A 57 3.462 4.784 -4.474 1.00 0.60 H new ATOM 917 N GLU A 58 6.214 9.157 -4.283 1.00 0.30 N ATOM 918 CA GLU A 58 6.156 10.624 -3.990 1.00 0.34 C ATOM 919 C GLU A 58 5.349 11.332 -5.086 1.00 0.35 C ATOM 920 O GLU A 58 4.639 12.286 -4.821 1.00 0.42 O ATOM 921 CB GLU A 58 7.579 11.194 -3.952 1.00 0.36 C ATOM 922 CG GLU A 58 7.839 11.845 -2.589 1.00 0.51 C ATOM 923 CD GLU A 58 9.346 11.887 -2.316 1.00 0.49 C ATOM 924 OE1 GLU A 58 9.982 12.836 -2.746 1.00 0.72 O ATOM 925 OE2 GLU A 58 9.840 10.969 -1.680 1.00 0.61 O ATOM 0 H GLU A 58 7.152 8.791 -4.445 1.00 0.30 H new ATOM 0 HA GLU A 58 5.675 10.784 -3.025 1.00 0.34 H new ATOM 0 HB2 GLU A 58 8.304 10.400 -4.131 1.00 0.36 H new ATOM 0 HB3 GLU A 58 7.708 11.928 -4.747 1.00 0.36 H new ATOM 0 HG2 GLU A 58 7.428 12.855 -2.573 1.00 0.51 H new ATOM 0 HG3 GLU A 58 7.333 11.283 -1.804 1.00 0.51 H new ATOM 932 N ASP A 59 5.446 10.862 -6.312 1.00 0.33 N ATOM 933 CA ASP A 59 4.679 11.488 -7.433 1.00 0.37 C ATOM 934 C ASP A 59 3.177 11.286 -7.194 1.00 0.36 C ATOM 935 O ASP A 59 2.382 12.182 -7.412 1.00 0.41 O ATOM 936 CB ASP A 59 5.078 10.828 -8.760 1.00 0.41 C ATOM 937 CG ASP A 59 5.398 11.906 -9.799 1.00 0.85 C ATOM 938 OD1 ASP A 59 4.483 12.327 -10.488 1.00 1.37 O ATOM 939 OD2 ASP A 59 6.553 12.290 -9.889 1.00 1.28 O ATOM 0 H ASP A 59 6.027 10.068 -6.581 1.00 0.33 H new ATOM 0 HA ASP A 59 4.903 12.554 -7.477 1.00 0.37 H new ATOM 0 HB2 ASP A 59 5.945 10.185 -8.611 1.00 0.41 H new ATOM 0 HB3 ASP A 59 4.268 10.193 -9.119 1.00 0.41 H new ATOM 944 N TYR A 60 2.793 10.114 -6.739 1.00 0.35 N ATOM 945 CA TYR A 60 1.348 9.834 -6.468 1.00 0.37 C ATOM 946 C TYR A 60 0.889 10.570 -5.196 1.00 0.39 C ATOM 947 O TYR A 60 -0.297 10.716 -4.962 1.00 0.45 O ATOM 948 CB TYR A 60 1.149 8.324 -6.289 1.00 0.40 C ATOM 949 CG TYR A 60 1.153 7.651 -7.643 1.00 0.40 C ATOM 950 CD1 TYR A 60 0.158 7.955 -8.581 1.00 0.46 C ATOM 951 CD2 TYR A 60 2.152 6.723 -7.961 1.00 0.44 C ATOM 952 CE1 TYR A 60 0.162 7.334 -9.834 1.00 0.50 C ATOM 953 CE2 TYR A 60 2.156 6.101 -9.216 1.00 0.48 C ATOM 954 CZ TYR A 60 1.162 6.407 -10.153 1.00 0.49 C ATOM 955 OH TYR A 60 1.167 5.796 -11.389 1.00 0.56 O ATOM 0 H TYR A 60 3.424 9.337 -6.543 1.00 0.35 H new ATOM 0 HA TYR A 60 0.753 10.187 -7.310 1.00 0.37 H new ATOM 0 HB2 TYR A 60 1.942 7.913 -5.665 1.00 0.40 H new ATOM 0 HB3 TYR A 60 0.207 8.129 -5.777 1.00 0.40 H new ATOM 0 HD1 TYR A 60 -0.613 8.670 -8.336 1.00 0.46 H new ATOM 0 HD2 TYR A 60 2.919 6.487 -7.239 1.00 0.44 H new ATOM 0 HE1 TYR A 60 -0.606 7.569 -10.556 1.00 0.50 H new ATOM 0 HE2 TYR A 60 2.926 5.385 -9.461 1.00 0.48 H new ATOM 0 HH TYR A 60 0.772 6.398 -12.053 1.00 0.56 H new ATOM 965 N GLU A 61 1.822 11.029 -4.379 1.00 0.39 N ATOM 966 CA GLU A 61 1.471 11.760 -3.116 1.00 0.44 C ATOM 967 C GLU A 61 1.039 10.753 -2.040 1.00 0.42 C ATOM 968 O GLU A 61 -0.093 10.751 -1.583 1.00 0.57 O ATOM 969 CB GLU A 61 0.349 12.777 -3.383 1.00 0.52 C ATOM 970 CG GLU A 61 0.448 13.928 -2.377 1.00 0.64 C ATOM 971 CD GLU A 61 -0.929 14.190 -1.755 1.00 1.00 C ATOM 972 OE1 GLU A 61 -1.307 13.448 -0.863 1.00 1.33 O ATOM 973 OE2 GLU A 61 -1.580 15.129 -2.180 1.00 1.35 O ATOM 0 H GLU A 61 2.824 10.924 -4.541 1.00 0.39 H new ATOM 0 HA GLU A 61 2.347 12.303 -2.761 1.00 0.44 H new ATOM 0 HB2 GLU A 61 0.428 13.162 -4.400 1.00 0.52 H new ATOM 0 HB3 GLU A 61 -0.623 12.291 -3.300 1.00 0.52 H new ATOM 0 HG2 GLU A 61 1.169 13.682 -1.598 1.00 0.64 H new ATOM 0 HG3 GLU A 61 0.811 14.828 -2.874 1.00 0.64 H new ATOM 980 N VAL A 62 1.947 9.899 -1.628 1.00 0.36 N ATOM 981 CA VAL A 62 1.624 8.886 -0.578 1.00 0.35 C ATOM 982 C VAL A 62 2.227 9.344 0.756 1.00 0.34 C ATOM 983 O VAL A 62 3.431 9.491 0.886 1.00 0.45 O ATOM 984 CB VAL A 62 2.208 7.524 -0.983 1.00 0.37 C ATOM 985 CG1 VAL A 62 1.823 6.465 0.054 1.00 0.39 C ATOM 986 CG2 VAL A 62 1.646 7.119 -2.349 1.00 0.48 C ATOM 0 H VAL A 62 2.904 9.862 -1.978 1.00 0.36 H new ATOM 0 HA VAL A 62 0.544 8.788 -0.472 1.00 0.35 H new ATOM 0 HB VAL A 62 3.294 7.599 -1.036 1.00 0.37 H new ATOM 0 HG11 VAL A 62 2.240 5.501 -0.238 1.00 0.39 H new ATOM 0 HG12 VAL A 62 2.218 6.750 1.029 1.00 0.39 H new ATOM 0 HG13 VAL A 62 0.737 6.389 0.110 1.00 0.39 H new ATOM 0 HG21 VAL A 62 2.058 6.153 -2.640 1.00 0.48 H new ATOM 0 HG22 VAL A 62 0.560 7.047 -2.289 1.00 0.48 H new ATOM 0 HG23 VAL A 62 1.919 7.869 -3.092 1.00 0.48 H new ATOM 996 N HIS A 63 1.395 9.584 1.744 1.00 0.32 N ATOM 997 CA HIS A 63 1.902 10.051 3.075 1.00 0.34 C ATOM 998 C HIS A 63 1.717 8.953 4.133 1.00 0.31 C ATOM 999 O HIS A 63 1.246 7.867 3.844 1.00 0.34 O ATOM 1000 CB HIS A 63 1.125 11.303 3.500 1.00 0.40 C ATOM 1001 CG HIS A 63 1.516 12.461 2.623 1.00 0.64 C ATOM 1002 ND1 HIS A 63 2.705 13.152 2.795 1.00 1.15 N ATOM 1003 CD2 HIS A 63 0.885 13.059 1.559 1.00 1.51 C ATOM 1004 CE1 HIS A 63 2.751 14.118 1.859 1.00 1.13 C ATOM 1005 NE2 HIS A 63 1.666 14.106 1.079 1.00 1.48 N ATOM 0 H HIS A 63 0.382 9.476 1.685 1.00 0.32 H new ATOM 0 HA HIS A 63 2.964 10.282 2.989 1.00 0.34 H new ATOM 0 HB2 HIS A 63 0.053 11.121 3.423 1.00 0.40 H new ATOM 0 HB3 HIS A 63 1.335 11.537 4.544 1.00 0.40 H new ATOM 0 HD2 HIS A 63 -0.072 12.762 1.156 1.00 1.51 H new ATOM 0 HE1 HIS A 63 3.566 14.818 1.751 1.00 1.13 H new ATOM 0 HE2 HIS A 63 1.456 14.730 0.300 1.00 1.48 H new ATOM 1013 N ASP A 64 2.088 9.238 5.364 1.00 0.32 N ATOM 1014 CA ASP A 64 1.942 8.231 6.461 1.00 0.30 C ATOM 1015 C ASP A 64 0.460 8.072 6.823 1.00 0.28 C ATOM 1016 O ASP A 64 -0.286 9.035 6.859 1.00 0.33 O ATOM 1017 CB ASP A 64 2.721 8.698 7.699 1.00 0.33 C ATOM 1018 CG ASP A 64 3.308 7.488 8.442 1.00 0.37 C ATOM 1019 OD1 ASP A 64 2.535 6.666 8.913 1.00 0.61 O ATOM 1020 OD2 ASP A 64 4.522 7.407 8.533 1.00 0.52 O ATOM 0 H ASP A 64 2.487 10.131 5.653 1.00 0.32 H new ATOM 0 HA ASP A 64 2.338 7.274 6.122 1.00 0.30 H new ATOM 0 HB2 ASP A 64 3.522 9.374 7.400 1.00 0.33 H new ATOM 0 HB3 ASP A 64 2.062 9.258 8.363 1.00 0.33 H new ATOM 1025 N GLN A 65 0.040 6.856 7.091 1.00 0.29 N ATOM 1026 CA GLN A 65 -1.389 6.588 7.457 1.00 0.33 C ATOM 1027 C GLN A 65 -2.317 7.023 6.310 1.00 0.32 C ATOM 1028 O GLN A 65 -3.369 7.598 6.533 1.00 0.40 O ATOM 1029 CB GLN A 65 -1.748 7.349 8.744 1.00 0.37 C ATOM 1030 CG GLN A 65 -0.831 6.902 9.889 1.00 0.43 C ATOM 1031 CD GLN A 65 -1.120 5.440 10.244 1.00 0.54 C ATOM 1032 OE1 GLN A 65 -2.065 5.150 10.952 1.00 0.70 O ATOM 1033 NE2 GLN A 65 -0.341 4.501 9.781 1.00 0.71 N ATOM 0 H GLN A 65 0.635 6.028 7.071 1.00 0.29 H new ATOM 0 HA GLN A 65 -1.519 5.519 7.628 1.00 0.33 H new ATOM 0 HB2 GLN A 65 -1.646 8.422 8.583 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -2.789 7.164 9.007 1.00 0.37 H new ATOM 0 HG2 GLN A 65 0.213 7.015 9.597 1.00 0.43 H new ATOM 0 HG3 GLN A 65 -0.988 7.536 10.762 1.00 0.43 H new ATOM 0 HE21 GLN A 65 0.452 4.743 9.187 1.00 0.71 H new ATOM 0 HE22 GLN A 65 -0.525 3.525 10.013 1.00 0.71 H new ATOM 1042 N THR A 66 -1.937 6.741 5.083 1.00 0.31 N ATOM 1043 CA THR A 66 -2.794 7.124 3.917 1.00 0.32 C ATOM 1044 C THR A 66 -3.671 5.928 3.512 1.00 0.31 C ATOM 1045 O THR A 66 -3.360 4.787 3.815 1.00 0.36 O ATOM 1046 CB THR A 66 -1.903 7.562 2.739 1.00 0.36 C ATOM 1047 OG1 THR A 66 -2.699 8.219 1.762 1.00 0.42 O ATOM 1048 CG2 THR A 66 -1.218 6.347 2.104 1.00 0.38 C ATOM 0 H THR A 66 -1.070 6.262 4.841 1.00 0.31 H new ATOM 0 HA THR A 66 -3.439 7.957 4.194 1.00 0.32 H new ATOM 0 HB THR A 66 -1.138 8.243 3.112 1.00 0.36 H new ATOM 0 HG1 THR A 66 -2.209 8.989 1.405 1.00 0.42 H new ATOM 0 HG21 THR A 66 -0.593 6.675 1.274 1.00 0.38 H new ATOM 0 HG22 THR A 66 -0.599 5.847 2.849 1.00 0.38 H new ATOM 0 HG23 THR A 66 -1.974 5.653 1.737 1.00 0.38 H new ATOM 1056 N ASN A 67 -4.766 6.183 2.833 1.00 0.31 N ATOM 1057 CA ASN A 67 -5.672 5.070 2.410 1.00 0.32 C ATOM 1058 C ASN A 67 -5.382 4.697 0.952 1.00 0.30 C ATOM 1059 O ASN A 67 -5.357 5.543 0.074 1.00 0.47 O ATOM 1060 CB ASN A 67 -7.132 5.517 2.549 1.00 0.40 C ATOM 1061 CG ASN A 67 -8.013 4.307 2.871 1.00 0.88 C ATOM 1062 OD1 ASN A 67 -8.607 3.722 1.986 1.00 1.31 O ATOM 1063 ND2 ASN A 67 -8.124 3.902 4.108 1.00 1.25 N ATOM 0 H ASN A 67 -5.070 7.116 2.554 1.00 0.31 H new ATOM 0 HA ASN A 67 -5.499 4.201 3.044 1.00 0.32 H new ATOM 0 HB2 ASN A 67 -7.220 6.264 3.338 1.00 0.40 H new ATOM 0 HB3 ASN A 67 -7.468 5.988 1.625 1.00 0.40 H new ATOM 0 HD21 ASN A 67 -8.708 3.096 4.330 1.00 1.25 H new ATOM 0 HD22 ASN A 67 -7.626 4.392 4.852 1.00 1.25 H new ATOM 1070 N LEU A 68 -5.161 3.429 0.695 1.00 0.27 N ATOM 1071 CA LEU A 68 -4.867 2.968 -0.696 1.00 0.28 C ATOM 1072 C LEU A 68 -5.835 1.842 -1.085 1.00 0.25 C ATOM 1073 O LEU A 68 -6.417 1.190 -0.237 1.00 0.29 O ATOM 1074 CB LEU A 68 -3.426 2.446 -0.760 1.00 0.36 C ATOM 1075 CG LEU A 68 -2.520 3.509 -1.387 1.00 0.65 C ATOM 1076 CD1 LEU A 68 -1.153 3.485 -0.699 1.00 0.63 C ATOM 1077 CD2 LEU A 68 -2.343 3.212 -2.879 1.00 1.32 C ATOM 0 H LEU A 68 -5.172 2.689 1.397 1.00 0.27 H new ATOM 0 HA LEU A 68 -4.989 3.801 -1.388 1.00 0.28 H new ATOM 0 HB2 LEU A 68 -3.074 2.199 0.241 1.00 0.36 H new ATOM 0 HB3 LEU A 68 -3.387 1.529 -1.347 1.00 0.36 H new ATOM 0 HG LEU A 68 -2.974 4.492 -1.262 1.00 0.65 H new ATOM 0 HD11 LEU A 68 -0.508 4.242 -1.145 1.00 0.63 H new ATOM 0 HD12 LEU A 68 -1.277 3.694 0.364 1.00 0.63 H new ATOM 0 HD13 LEU A 68 -0.700 2.502 -0.825 1.00 0.63 H new ATOM 0 HD21 LEU A 68 -1.698 3.968 -3.327 1.00 1.32 H new ATOM 0 HD22 LEU A 68 -1.889 2.229 -3.003 1.00 1.32 H new ATOM 0 HD23 LEU A 68 -3.316 3.227 -3.371 1.00 1.32 H new ATOM 1089 N GLU A 69 -6.008 1.612 -2.364 1.00 0.26 N ATOM 1090 CA GLU A 69 -6.932 0.531 -2.827 1.00 0.26 C ATOM 1091 C GLU A 69 -6.110 -0.655 -3.346 1.00 0.25 C ATOM 1092 O GLU A 69 -4.995 -0.493 -3.808 1.00 0.31 O ATOM 1093 CB GLU A 69 -7.823 1.065 -3.954 1.00 0.33 C ATOM 1094 CG GLU A 69 -8.758 2.152 -3.410 1.00 0.35 C ATOM 1095 CD GLU A 69 -8.164 3.536 -3.698 1.00 0.47 C ATOM 1096 OE1 GLU A 69 -8.287 3.993 -4.825 1.00 0.62 O ATOM 1097 OE2 GLU A 69 -7.598 4.118 -2.787 1.00 0.61 O ATOM 0 H GLU A 69 -5.546 2.130 -3.111 1.00 0.26 H new ATOM 0 HA GLU A 69 -7.556 0.206 -1.994 1.00 0.26 H new ATOM 0 HB2 GLU A 69 -7.206 1.472 -4.755 1.00 0.33 H new ATOM 0 HB3 GLU A 69 -8.408 0.252 -4.383 1.00 0.33 H new ATOM 0 HG2 GLU A 69 -9.741 2.064 -3.872 1.00 0.35 H new ATOM 0 HG3 GLU A 69 -8.898 2.022 -2.337 1.00 0.35 H new ATOM 1104 N LEU A 70 -6.655 -1.846 -3.271 1.00 0.25 N ATOM 1105 CA LEU A 70 -5.915 -3.051 -3.756 1.00 0.26 C ATOM 1106 C LEU A 70 -6.852 -3.930 -4.596 1.00 0.26 C ATOM 1107 O LEU A 70 -8.013 -4.105 -4.274 1.00 0.37 O ATOM 1108 CB LEU A 70 -5.392 -3.844 -2.549 1.00 0.32 C ATOM 1109 CG LEU A 70 -4.630 -5.092 -3.016 1.00 0.31 C ATOM 1110 CD1 LEU A 70 -3.480 -4.691 -3.946 1.00 0.37 C ATOM 1111 CD2 LEU A 70 -4.057 -5.822 -1.796 1.00 0.41 C ATOM 0 H LEU A 70 -7.584 -2.034 -2.893 1.00 0.25 H new ATOM 0 HA LEU A 70 -5.074 -2.740 -4.375 1.00 0.26 H new ATOM 0 HB2 LEU A 70 -4.736 -3.214 -1.949 1.00 0.32 H new ATOM 0 HB3 LEU A 70 -6.225 -4.137 -1.910 1.00 0.32 H new ATOM 0 HG LEU A 70 -5.316 -5.746 -3.555 1.00 0.31 H new ATOM 0 HD11 LEU A 70 -2.947 -5.584 -4.271 1.00 0.37 H new ATOM 0 HD12 LEU A 70 -3.880 -4.171 -4.816 1.00 0.37 H new ATOM 0 HD13 LEU A 70 -2.794 -4.032 -3.413 1.00 0.37 H new ATOM 0 HD21 LEU A 70 -3.515 -6.709 -2.124 1.00 0.41 H new ATOM 0 HD22 LEU A 70 -3.377 -5.159 -1.261 1.00 0.41 H new ATOM 0 HD23 LEU A 70 -4.871 -6.118 -1.134 1.00 0.41 H new ATOM 1123 N TYR A 71 -6.347 -4.479 -5.674 1.00 0.24 N ATOM 1124 CA TYR A 71 -7.185 -5.351 -6.555 1.00 0.27 C ATOM 1125 C TYR A 71 -6.310 -6.473 -7.124 1.00 0.29 C ATOM 1126 O TYR A 71 -5.156 -6.264 -7.442 1.00 0.39 O ATOM 1127 CB TYR A 71 -7.758 -4.517 -7.708 1.00 0.32 C ATOM 1128 CG TYR A 71 -8.869 -3.631 -7.193 1.00 0.41 C ATOM 1129 CD1 TYR A 71 -10.171 -4.134 -7.081 1.00 0.73 C ATOM 1130 CD2 TYR A 71 -8.598 -2.307 -6.827 1.00 0.64 C ATOM 1131 CE1 TYR A 71 -11.199 -3.316 -6.601 1.00 0.98 C ATOM 1132 CE2 TYR A 71 -9.627 -1.487 -6.348 1.00 0.89 C ATOM 1133 CZ TYR A 71 -10.928 -1.993 -6.235 1.00 0.99 C ATOM 1134 OH TYR A 71 -11.943 -1.184 -5.764 1.00 1.31 O ATOM 0 H TYR A 71 -5.382 -4.359 -5.983 1.00 0.24 H new ATOM 0 HA TYR A 71 -8.005 -5.778 -5.977 1.00 0.27 H new ATOM 0 HB2 TYR A 71 -6.972 -3.908 -8.155 1.00 0.32 H new ATOM 0 HB3 TYR A 71 -8.137 -5.174 -8.491 1.00 0.32 H new ATOM 0 HD1 TYR A 71 -10.382 -5.154 -7.365 1.00 0.73 H new ATOM 0 HD2 TYR A 71 -7.594 -1.918 -6.914 1.00 0.64 H new ATOM 0 HE1 TYR A 71 -12.202 -3.706 -6.513 1.00 0.98 H new ATOM 0 HE2 TYR A 71 -9.418 -0.466 -6.066 1.00 0.89 H new ATOM 0 HH TYR A 71 -11.584 -0.297 -5.555 1.00 1.31 H new ATOM 1144 N TYR A 72 -6.845 -7.663 -7.253 1.00 0.29 N ATOM 1145 CA TYR A 72 -6.031 -8.793 -7.800 1.00 0.33 C ATOM 1146 C TYR A 72 -6.347 -8.986 -9.288 1.00 0.36 C ATOM 1147 O TYR A 72 -7.420 -9.436 -9.652 1.00 0.42 O ATOM 1148 CB TYR A 72 -6.352 -10.082 -7.031 1.00 0.38 C ATOM 1149 CG TYR A 72 -5.911 -9.952 -5.587 1.00 0.37 C ATOM 1150 CD1 TYR A 72 -4.768 -9.210 -5.257 1.00 0.40 C ATOM 1151 CD2 TYR A 72 -6.651 -10.579 -4.576 1.00 0.48 C ATOM 1152 CE1 TYR A 72 -4.367 -9.097 -3.922 1.00 0.47 C ATOM 1153 CE2 TYR A 72 -6.249 -10.465 -3.241 1.00 0.54 C ATOM 1154 CZ TYR A 72 -5.108 -9.724 -2.913 1.00 0.50 C ATOM 1155 OH TYR A 72 -4.713 -9.611 -1.595 1.00 0.61 O ATOM 0 H TYR A 72 -7.805 -7.900 -7.004 1.00 0.29 H new ATOM 0 HA TYR A 72 -4.972 -8.561 -7.685 1.00 0.33 H new ATOM 0 HB2 TYR A 72 -7.422 -10.284 -7.075 1.00 0.38 H new ATOM 0 HB3 TYR A 72 -5.848 -10.928 -7.498 1.00 0.38 H new ATOM 0 HD1 TYR A 72 -4.197 -8.725 -6.035 1.00 0.40 H new ATOM 0 HD2 TYR A 72 -7.532 -11.151 -4.827 1.00 0.48 H new ATOM 0 HE1 TYR A 72 -3.486 -8.526 -3.669 1.00 0.47 H new ATOM 0 HE2 TYR A 72 -6.820 -10.949 -2.463 1.00 0.54 H new ATOM 0 HH TYR A 72 -5.337 -10.105 -1.023 1.00 0.61 H new ATOM 1165 N LEU A 73 -5.414 -8.645 -10.146 1.00 0.40 N ATOM 1166 CA LEU A 73 -5.636 -8.800 -11.619 1.00 0.47 C ATOM 1167 C LEU A 73 -4.316 -9.199 -12.299 1.00 0.69 C ATOM 1168 O LEU A 73 -3.350 -8.457 -12.175 1.00 0.83 O ATOM 1169 CB LEU A 73 -6.146 -7.473 -12.205 1.00 0.52 C ATOM 1170 CG LEU A 73 -7.352 -7.723 -13.125 1.00 0.70 C ATOM 1171 CD1 LEU A 73 -6.954 -8.671 -14.262 1.00 0.99 C ATOM 1172 CD2 LEU A 73 -8.498 -8.344 -12.319 1.00 1.14 C ATOM 1173 OXT LEU A 73 -4.291 -10.244 -12.929 1.00 0.92 O ATOM 0 H LEU A 73 -4.504 -8.264 -9.887 1.00 0.40 H new ATOM 0 HA LEU A 73 -6.379 -9.578 -11.795 1.00 0.47 H new ATOM 0 HB2 LEU A 73 -6.430 -6.797 -11.398 1.00 0.52 H new ATOM 0 HB3 LEU A 73 -5.348 -6.985 -12.765 1.00 0.52 H new ATOM 0 HG LEU A 73 -7.679 -6.773 -13.547 1.00 0.70 H new ATOM 0 HD11 LEU A 73 -7.814 -8.843 -14.910 1.00 0.99 H new ATOM 0 HD12 LEU A 73 -6.146 -8.225 -14.842 1.00 0.99 H new ATOM 0 HD13 LEU A 73 -6.619 -9.620 -13.844 1.00 0.99 H new ATOM 0 HD21 LEU A 73 -9.351 -8.520 -12.975 1.00 1.14 H new ATOM 0 HD22 LEU A 73 -8.170 -9.290 -11.890 1.00 1.14 H new ATOM 0 HD23 LEU A 73 -8.790 -7.664 -11.518 1.00 1.14 H new TER 1185 LEU A 73