USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 649 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 45 LYS NZ :NH3+ 128:sc= 0.295! (180deg=-0.233) USER MOD Set 1.2: A 49 GLN : amide:sc= 0.429 K(o=0.72,f=-4.6) USER MOD Set 2.1: A 18 LYS NZ :NH3+ -123:sc= -6.87! (180deg=-9.5!) USER MOD Set 2.2: A 33 TYR OH : rot 30:sc= 0.67 USER MOD Set 3.1: A 1 MET N :NH3+ -166:sc= -0.148 (180deg=0.251) USER MOD Set 3.2: A 2 GLN : amide:sc= -0.777 K(o=-0.92,f=-9.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 159:sc= 0.399! USER MOD Single : A 9 SER OG : rot -71:sc= 0.481 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -113:sc= -0.157 (180deg=-4.41!) USER MOD Single : A 25 SER OG : rot -61:sc= 0.489 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -3.99! C(o=-4!,f=-3.2!) USER MOD Single : A 34 GLN : amide:sc= -1.14! K(o=-1.1!,f=0) USER MOD Single : A 35 TYR OH : rot -21:sc= 0.511 USER MOD Single : A 44 THR OG1 : rot 120:sc= 0.873 USER MOD Single : A 50 GLN : amide:sc= -0.295 X(o=-0.29,f=-0.29) USER MOD Single : A 51 LYS NZ :NH3+ -168:sc= -4.62! (180deg=-5.13!) USER MOD Single : A 54 LYS NZ :NH3+ -143:sc= 0.727 (180deg=-0.917!) USER MOD Single : A 58 THR OG1 : rot 92:sc= 0.647 USER MOD Single : A 61 GLN : amide:sc= -5.43! C(o=-5.4!,f=-11!) USER MOD Single : A 66 GLN : amide:sc= 0.0227 X(o=0.023,f=0) USER MOD Single : A 67 GLN : amide:sc= -3! C(o=-3!,f=-8!) USER MOD Single : A 68 HIS : no HE2:sc= -3.57! C(o=-3.6!,f=-7.5!) USER MOD Single : A 72 TYR OH : rot 39:sc= 2 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0495 USER MOD Single : A 80 LYS NZ :NH3+ -139:sc= -0.684! (180deg=-4.75!) USER MOD Single : A 82 ASN : amide:sc= -2.11 X(o=-2.1,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.590 -4.899 4.872 1.00 2.95 N ATOM 2 CA MET A 1 -8.537 -3.846 4.843 1.00 1.57 C ATOM 3 C MET A 1 -7.159 -4.521 4.785 1.00 1.40 C ATOM 4 O MET A 1 -6.353 -4.405 5.697 1.00 1.46 O ATOM 5 CB MET A 1 -8.624 -2.933 6.076 1.00 1.58 C ATOM 6 CG MET A 1 -9.994 -2.234 6.124 1.00 2.16 C ATOM 7 SD MET A 1 -10.024 -0.505 6.669 1.00 2.57 S ATOM 8 CE MET A 1 -9.953 0.292 5.037 1.00 1.31 C ATOM 0 H1 MET A 1 -10.516 -4.469 4.673 1.00 2.95 H new ATOM 0 H2 MET A 1 -9.381 -5.619 4.152 1.00 2.95 H new ATOM 0 H3 MET A 1 -9.610 -5.345 5.811 1.00 2.95 H new ATOM 0 HA MET A 1 -8.688 -3.224 3.960 1.00 1.57 H new ATOM 0 HB2 MET A 1 -8.475 -3.519 6.983 1.00 1.58 H new ATOM 0 HB3 MET A 1 -7.829 -2.188 6.043 1.00 1.58 H new ATOM 0 HG2 MET A 1 -10.432 -2.282 5.127 1.00 2.16 H new ATOM 0 HG3 MET A 1 -10.643 -2.808 6.785 1.00 2.16 H new ATOM 0 HE1 MET A 1 -9.962 1.375 5.160 1.00 1.31 H new ATOM 0 HE2 MET A 1 -9.038 -0.007 4.525 1.00 1.31 H new ATOM 0 HE3 MET A 1 -10.816 -0.013 4.445 1.00 1.31 H new ATOM 18 N GLN A 2 -6.941 -5.213 3.701 1.00 1.35 N ATOM 19 CA GLN A 2 -5.654 -5.923 3.487 1.00 1.35 C ATOM 20 C GLN A 2 -4.925 -5.183 2.371 1.00 1.26 C ATOM 21 O GLN A 2 -5.216 -5.374 1.206 1.00 1.84 O ATOM 22 CB GLN A 2 -5.932 -7.381 3.080 1.00 1.46 C ATOM 23 CG GLN A 2 -6.048 -8.274 4.332 1.00 1.89 C ATOM 24 CD GLN A 2 -7.482 -8.301 4.882 1.00 2.78 C ATOM 25 OE1 GLN A 2 -8.194 -7.319 4.879 1.00 3.75 O ATOM 26 NE2 GLN A 2 -7.943 -9.411 5.378 1.00 3.94 N ATOM 0 H GLN A 2 -7.615 -5.317 2.942 1.00 1.35 H new ATOM 0 HA GLN A 2 -5.049 -5.940 4.393 1.00 1.35 H new ATOM 0 HB2 GLN A 2 -6.854 -7.434 2.500 1.00 1.46 H new ATOM 0 HB3 GLN A 2 -5.130 -7.746 2.438 1.00 1.46 H new ATOM 0 HG2 GLN A 2 -5.734 -9.288 4.085 1.00 1.89 H new ATOM 0 HG3 GLN A 2 -5.370 -7.909 5.103 1.00 1.89 H new ATOM 0 HE21 GLN A 2 -7.358 -10.247 5.389 1.00 3.94 H new ATOM 0 HE22 GLN A 2 -8.890 -9.446 5.756 1.00 3.94 H new ATOM 35 N THR A 3 -4.021 -4.333 2.753 1.00 0.70 N ATOM 36 CA THR A 3 -3.289 -3.542 1.734 1.00 0.58 C ATOM 37 C THR A 3 -2.128 -4.331 1.123 1.00 0.52 C ATOM 38 O THR A 3 -1.421 -5.042 1.807 1.00 0.68 O ATOM 39 CB THR A 3 -2.780 -2.291 2.438 1.00 0.70 C ATOM 40 OG1 THR A 3 -3.953 -1.661 2.947 1.00 0.79 O ATOM 41 CG2 THR A 3 -2.148 -1.310 1.450 1.00 0.75 C ATOM 0 H THR A 3 -3.758 -4.152 3.722 1.00 0.70 H new ATOM 0 HA THR A 3 -3.951 -3.291 0.905 1.00 0.58 H new ATOM 0 HB THR A 3 -2.036 -2.553 3.190 1.00 0.70 H new ATOM 0 HG1 THR A 3 -3.708 -1.057 3.679 1.00 0.79 H new ATOM 0 HG21 THR A 3 -1.796 -0.429 1.987 1.00 0.75 H new ATOM 0 HG22 THR A 3 -1.307 -1.790 0.949 1.00 0.75 H new ATOM 0 HG23 THR A 3 -2.890 -1.011 0.709 1.00 0.75 H new ATOM 49 N VAL A 4 -1.942 -4.159 -0.161 1.00 0.39 N ATOM 50 CA VAL A 4 -0.841 -4.874 -0.870 1.00 0.39 C ATOM 51 C VAL A 4 -0.080 -3.901 -1.778 1.00 0.37 C ATOM 52 O VAL A 4 -0.679 -3.036 -2.412 1.00 0.38 O ATOM 53 CB VAL A 4 -1.446 -5.995 -1.735 1.00 0.49 C ATOM 54 CG1 VAL A 4 -0.323 -6.926 -2.214 1.00 0.63 C ATOM 55 CG2 VAL A 4 -2.456 -6.812 -0.921 1.00 0.57 C ATOM 0 H VAL A 4 -2.509 -3.550 -0.751 1.00 0.39 H new ATOM 0 HA VAL A 4 -0.154 -5.292 -0.135 1.00 0.39 H new ATOM 0 HB VAL A 4 -1.955 -5.546 -2.588 1.00 0.49 H new ATOM 0 HG11 VAL A 4 -0.747 -7.722 -2.827 1.00 0.63 H new ATOM 0 HG12 VAL A 4 0.395 -6.356 -2.804 1.00 0.63 H new ATOM 0 HG13 VAL A 4 0.181 -7.362 -1.351 1.00 0.63 H new ATOM 0 HG21 VAL A 4 -2.875 -7.600 -1.547 1.00 0.57 H new ATOM 0 HG22 VAL A 4 -1.955 -7.258 -0.062 1.00 0.57 H new ATOM 0 HG23 VAL A 4 -3.257 -6.159 -0.575 1.00 0.57 H new ATOM 65 N ILE A 5 1.217 -4.048 -1.773 1.00 0.39 N ATOM 66 CA ILE A 5 2.084 -3.201 -2.638 1.00 0.44 C ATOM 67 C ILE A 5 2.800 -4.180 -3.574 1.00 0.48 C ATOM 68 O ILE A 5 3.445 -5.088 -3.087 1.00 0.55 O ATOM 69 CB ILE A 5 3.133 -2.442 -1.797 1.00 0.50 C ATOM 70 CG1 ILE A 5 2.516 -1.857 -0.508 1.00 0.59 C ATOM 71 CG2 ILE A 5 3.724 -1.307 -2.649 1.00 0.53 C ATOM 72 CD1 ILE A 5 1.460 -0.788 -0.821 1.00 1.54 C ATOM 0 H ILE A 5 1.717 -4.727 -1.199 1.00 0.39 H new ATOM 0 HA ILE A 5 1.496 -2.455 -3.174 1.00 0.44 H new ATOM 0 HB ILE A 5 3.912 -3.144 -1.501 1.00 0.50 H new ATOM 0 HG12 ILE A 5 2.062 -2.658 0.075 1.00 0.59 H new ATOM 0 HG13 ILE A 5 3.303 -1.422 0.108 1.00 0.59 H new ATOM 0 HG21 ILE A 5 4.467 -0.763 -2.066 1.00 0.53 H new ATOM 0 HG22 ILE A 5 4.196 -1.727 -3.537 1.00 0.53 H new ATOM 0 HG23 ILE A 5 2.928 -0.625 -2.949 1.00 0.53 H new ATOM 0 HD11 ILE A 5 1.048 -0.400 0.111 1.00 1.54 H new ATOM 0 HD12 ILE A 5 1.921 0.026 -1.381 1.00 1.54 H new ATOM 0 HD13 ILE A 5 0.660 -1.230 -1.415 1.00 1.54 H new ATOM 84 N PHE A 6 2.660 -3.991 -4.861 1.00 0.55 N ATOM 85 CA PHE A 6 3.311 -4.898 -5.854 1.00 0.65 C ATOM 86 C PHE A 6 4.523 -4.171 -6.436 1.00 0.77 C ATOM 87 O PHE A 6 4.465 -3.684 -7.551 1.00 1.17 O ATOM 88 CB PHE A 6 2.311 -5.206 -6.988 1.00 0.77 C ATOM 89 CG PHE A 6 1.172 -6.102 -6.486 1.00 0.79 C ATOM 90 CD1 PHE A 6 0.141 -5.570 -5.736 1.00 0.92 C ATOM 91 CD2 PHE A 6 1.153 -7.454 -6.788 1.00 0.98 C ATOM 92 CE1 PHE A 6 -0.890 -6.371 -5.291 1.00 1.07 C ATOM 93 CE2 PHE A 6 0.124 -8.257 -6.343 1.00 1.08 C ATOM 94 CZ PHE A 6 -0.900 -7.716 -5.595 1.00 1.07 C ATOM 0 H PHE A 6 2.113 -3.234 -5.272 1.00 0.55 H new ATOM 0 HA PHE A 6 3.618 -5.829 -5.378 1.00 0.65 H new ATOM 0 HB2 PHE A 6 1.901 -4.275 -7.379 1.00 0.77 H new ATOM 0 HB3 PHE A 6 2.829 -5.697 -7.812 1.00 0.77 H new ATOM 0 HD1 PHE A 6 0.142 -4.517 -5.496 1.00 0.92 H new ATOM 0 HD2 PHE A 6 1.951 -7.883 -7.377 1.00 0.98 H new ATOM 0 HE1 PHE A 6 -1.690 -5.944 -4.704 1.00 1.07 H new ATOM 0 HE2 PHE A 6 0.120 -9.311 -6.581 1.00 1.08 H new ATOM 0 HZ PHE A 6 -1.708 -8.344 -5.248 1.00 1.07 H new ATOM 104 N GLY A 7 5.596 -4.146 -5.689 1.00 0.62 N ATOM 105 CA GLY A 7 6.816 -3.422 -6.173 1.00 0.73 C ATOM 106 C GLY A 7 7.974 -4.389 -6.369 1.00 0.84 C ATOM 107 O GLY A 7 7.773 -5.536 -6.694 1.00 1.00 O ATOM 0 H GLY A 7 5.684 -4.589 -4.775 1.00 0.62 H new ATOM 0 HA2 GLY A 7 6.595 -2.916 -7.113 1.00 0.73 H new ATOM 0 HA3 GLY A 7 7.097 -2.652 -5.455 1.00 0.73 H new ATOM 111 N ARG A 8 9.170 -3.899 -6.212 1.00 0.90 N ATOM 112 CA ARG A 8 10.365 -4.782 -6.374 1.00 1.15 C ATOM 113 C ARG A 8 11.136 -4.799 -5.048 1.00 1.50 C ATOM 114 O ARG A 8 10.716 -4.195 -4.078 1.00 2.46 O ATOM 115 CB ARG A 8 11.246 -4.226 -7.513 1.00 1.38 C ATOM 116 CG ARG A 8 11.995 -5.364 -8.242 1.00 2.35 C ATOM 117 CD ARG A 8 13.493 -5.357 -7.892 1.00 3.36 C ATOM 118 NE ARG A 8 14.061 -3.979 -8.094 1.00 3.27 N ATOM 119 CZ ARG A 8 14.557 -3.290 -7.086 1.00 4.42 C ATOM 120 NH1 ARG A 8 14.837 -3.900 -5.968 1.00 5.35 N ATOM 121 NH2 ARG A 8 14.756 -2.011 -7.237 1.00 5.27 N ATOM 0 H ARG A 8 9.376 -2.928 -5.979 1.00 0.90 H new ATOM 0 HA ARG A 8 10.069 -5.800 -6.628 1.00 1.15 H new ATOM 0 HB2 ARG A 8 10.625 -3.681 -8.224 1.00 1.38 H new ATOM 0 HB3 ARG A 8 11.965 -3.515 -7.107 1.00 1.38 H new ATOM 0 HG2 ARG A 8 11.559 -6.324 -7.967 1.00 2.35 H new ATOM 0 HG3 ARG A 8 11.870 -5.254 -9.319 1.00 2.35 H new ATOM 0 HD2 ARG A 8 13.635 -5.670 -6.858 1.00 3.36 H new ATOM 0 HD3 ARG A 8 14.025 -6.074 -8.518 1.00 3.36 H new ATOM 0 HE ARG A 8 14.062 -3.570 -9.028 1.00 3.27 H new ATOM 0 HH11 ARG A 8 14.672 -4.903 -5.879 1.00 5.35 H new ATOM 0 HH12 ARG A 8 15.221 -3.375 -5.183 1.00 5.35 H new ATOM 0 HH21 ARG A 8 14.529 -1.561 -8.124 1.00 5.27 H new ATOM 0 HH22 ARG A 8 15.139 -1.460 -6.469 1.00 5.27 H new ATOM 135 N SER A 9 12.225 -5.495 -5.026 1.00 2.02 N ATOM 136 CA SER A 9 13.058 -5.574 -3.788 1.00 2.37 C ATOM 137 C SER A 9 13.791 -4.242 -3.495 1.00 2.25 C ATOM 138 O SER A 9 15.012 -4.191 -3.490 1.00 2.82 O ATOM 139 CB SER A 9 14.079 -6.725 -3.972 1.00 2.81 C ATOM 140 OG SER A 9 13.809 -7.279 -5.269 1.00 3.60 O ATOM 0 H SER A 9 12.587 -6.024 -5.820 1.00 2.02 H new ATOM 0 HA SER A 9 12.410 -5.766 -2.933 1.00 2.37 H new ATOM 0 HB2 SER A 9 15.102 -6.355 -3.910 1.00 2.81 H new ATOM 0 HB3 SER A 9 13.965 -7.478 -3.193 1.00 2.81 H new ATOM 0 HG SER A 9 12.963 -7.773 -5.244 1.00 3.60 H new ATOM 146 N GLY A 10 13.060 -3.166 -3.317 1.00 2.41 N ATOM 147 CA GLY A 10 13.739 -1.863 -3.012 1.00 2.89 C ATOM 148 C GLY A 10 13.766 -0.927 -4.224 1.00 2.45 C ATOM 149 O GLY A 10 14.798 -0.777 -4.863 1.00 2.68 O ATOM 0 H GLY A 10 12.042 -3.131 -3.368 1.00 2.41 H new ATOM 0 HA2 GLY A 10 13.224 -1.371 -2.187 1.00 2.89 H new ATOM 0 HA3 GLY A 10 14.760 -2.056 -2.681 1.00 2.89 H new ATOM 153 N CYS A 11 12.624 -0.398 -4.575 1.00 2.10 N ATOM 154 CA CYS A 11 12.564 0.547 -5.732 1.00 1.87 C ATOM 155 C CYS A 11 11.829 1.827 -5.316 1.00 1.96 C ATOM 156 O CYS A 11 10.956 1.786 -4.467 1.00 2.14 O ATOM 157 CB CYS A 11 11.830 -0.132 -6.892 1.00 1.74 C ATOM 158 SG CYS A 11 10.658 -1.440 -6.480 1.00 1.85 S ATOM 0 H CYS A 11 11.732 -0.578 -4.113 1.00 2.10 H new ATOM 0 HA CYS A 11 13.573 0.812 -6.048 1.00 1.87 H new ATOM 0 HB2 CYS A 11 11.294 0.637 -7.448 1.00 1.74 H new ATOM 0 HB3 CYS A 11 12.578 -0.550 -7.566 1.00 1.74 H new ATOM 163 N PRO A 12 12.198 2.937 -5.928 1.00 2.38 N ATOM 164 CA PRO A 12 11.749 4.277 -5.478 1.00 2.74 C ATOM 165 C PRO A 12 10.238 4.345 -5.188 1.00 2.52 C ATOM 166 O PRO A 12 9.837 4.453 -4.040 1.00 2.46 O ATOM 167 CB PRO A 12 12.160 5.231 -6.614 1.00 3.59 C ATOM 168 CG PRO A 12 12.775 4.368 -7.744 1.00 3.89 C ATOM 169 CD PRO A 12 13.041 2.976 -7.152 1.00 2.94 C ATOM 0 HA PRO A 12 12.208 4.544 -4.526 1.00 2.74 H new ATOM 0 HB2 PRO A 12 11.296 5.785 -6.981 1.00 3.59 H new ATOM 0 HB3 PRO A 12 12.881 5.966 -6.256 1.00 3.59 H new ATOM 0 HG2 PRO A 12 12.094 4.302 -8.593 1.00 3.89 H new ATOM 0 HG3 PRO A 12 13.699 4.814 -8.110 1.00 3.89 H new ATOM 0 HD2 PRO A 12 12.766 2.186 -7.851 1.00 2.94 H new ATOM 0 HD3 PRO A 12 14.096 2.838 -6.914 1.00 2.94 H new ATOM 177 N TYR A 13 9.425 4.186 -6.207 1.00 2.76 N ATOM 178 CA TYR A 13 7.940 4.278 -5.980 1.00 2.71 C ATOM 179 C TYR A 13 7.353 3.009 -5.357 1.00 2.44 C ATOM 180 O TYR A 13 6.147 2.839 -5.351 1.00 3.20 O ATOM 181 CB TYR A 13 7.231 4.570 -7.313 1.00 2.98 C ATOM 182 CG TYR A 13 7.466 6.033 -7.695 1.00 2.21 C ATOM 183 CD1 TYR A 13 8.609 6.414 -8.374 1.00 2.67 C ATOM 184 CD2 TYR A 13 6.550 7.003 -7.333 1.00 2.24 C ATOM 185 CE1 TYR A 13 8.830 7.741 -8.676 1.00 2.97 C ATOM 186 CE2 TYR A 13 6.777 8.323 -7.636 1.00 2.43 C ATOM 187 CZ TYR A 13 7.912 8.701 -8.309 1.00 2.74 C ATOM 188 OH TYR A 13 8.116 10.023 -8.621 1.00 3.69 O ATOM 0 H TYR A 13 9.714 4.000 -7.167 1.00 2.76 H new ATOM 0 HA TYR A 13 7.775 5.090 -5.272 1.00 2.71 H new ATOM 0 HB2 TYR A 13 7.612 3.912 -8.094 1.00 2.98 H new ATOM 0 HB3 TYR A 13 6.163 4.372 -7.222 1.00 2.98 H new ATOM 0 HD1 TYR A 13 9.332 5.668 -8.669 1.00 2.67 H new ATOM 0 HD2 TYR A 13 5.649 6.721 -6.808 1.00 2.24 H new ATOM 0 HE1 TYR A 13 9.727 8.030 -9.203 1.00 2.97 H new ATOM 0 HE2 TYR A 13 6.056 9.071 -7.342 1.00 2.43 H new ATOM 0 HH TYR A 13 7.366 10.558 -8.285 1.00 3.69 H new ATOM 198 N CYS A 14 8.209 2.180 -4.820 1.00 1.57 N ATOM 199 CA CYS A 14 7.741 0.927 -4.162 1.00 1.30 C ATOM 200 C CYS A 14 7.906 1.135 -2.660 1.00 1.01 C ATOM 201 O CYS A 14 7.000 0.912 -1.866 1.00 0.99 O ATOM 202 CB CYS A 14 8.616 -0.257 -4.605 1.00 1.11 C ATOM 203 SG CYS A 14 8.865 -0.523 -6.375 1.00 2.12 S ATOM 0 H CYS A 14 9.219 2.319 -4.810 1.00 1.57 H new ATOM 0 HA CYS A 14 6.706 0.711 -4.428 1.00 1.30 H new ATOM 0 HB2 CYS A 14 9.597 -0.136 -4.146 1.00 1.11 H new ATOM 0 HB3 CYS A 14 8.180 -1.166 -4.190 1.00 1.11 H new ATOM 208 N VAL A 15 9.079 1.595 -2.314 1.00 0.93 N ATOM 209 CA VAL A 15 9.376 1.860 -0.889 1.00 0.82 C ATOM 210 C VAL A 15 8.639 3.125 -0.468 1.00 0.91 C ATOM 211 O VAL A 15 8.101 3.173 0.617 1.00 1.08 O ATOM 212 CB VAL A 15 10.882 2.031 -0.690 1.00 0.92 C ATOM 213 CG1 VAL A 15 11.174 2.245 0.808 1.00 0.97 C ATOM 214 CG2 VAL A 15 11.577 0.751 -1.162 1.00 1.07 C ATOM 0 H VAL A 15 9.840 1.797 -2.962 1.00 0.93 H new ATOM 0 HA VAL A 15 9.045 1.021 -0.277 1.00 0.82 H new ATOM 0 HB VAL A 15 11.245 2.889 -1.256 1.00 0.92 H new ATOM 0 HG11 VAL A 15 12.247 2.368 0.956 1.00 0.97 H new ATOM 0 HG12 VAL A 15 10.655 3.138 1.156 1.00 0.97 H new ATOM 0 HG13 VAL A 15 10.826 1.381 1.374 1.00 0.97 H new ATOM 0 HG21 VAL A 15 12.654 0.852 -1.029 1.00 1.07 H new ATOM 0 HG22 VAL A 15 11.216 -0.095 -0.578 1.00 1.07 H new ATOM 0 HG23 VAL A 15 11.356 0.584 -2.216 1.00 1.07 H new ATOM 224 N ARG A 16 8.580 4.106 -1.347 1.00 1.08 N ATOM 225 CA ARG A 16 7.865 5.372 -1.003 1.00 1.32 C ATOM 226 C ARG A 16 6.350 5.169 -1.185 1.00 1.82 C ATOM 227 O ARG A 16 5.638 6.023 -1.665 1.00 3.35 O ATOM 228 CB ARG A 16 8.359 6.477 -1.940 1.00 1.40 C ATOM 229 CG ARG A 16 8.575 7.801 -1.186 1.00 1.46 C ATOM 230 CD ARG A 16 7.261 8.337 -0.589 1.00 2.56 C ATOM 231 NE ARG A 16 6.912 7.583 0.660 1.00 2.52 N ATOM 232 CZ ARG A 16 7.374 7.987 1.802 1.00 2.66 C ATOM 233 NH1 ARG A 16 6.674 8.831 2.489 1.00 3.77 N ATOM 234 NH2 ARG A 16 8.506 7.510 2.223 1.00 2.99 N ATOM 0 H ARG A 16 8.994 4.080 -2.279 1.00 1.08 H new ATOM 0 HA ARG A 16 8.062 5.649 0.033 1.00 1.32 H new ATOM 0 HB2 ARG A 16 9.293 6.167 -2.409 1.00 1.40 H new ATOM 0 HB3 ARG A 16 7.635 6.627 -2.741 1.00 1.40 H new ATOM 0 HG2 ARG A 16 9.303 7.651 -0.388 1.00 1.46 H new ATOM 0 HG3 ARG A 16 8.995 8.542 -1.866 1.00 1.46 H new ATOM 0 HD2 ARG A 16 7.362 9.399 -0.365 1.00 2.56 H new ATOM 0 HD3 ARG A 16 6.456 8.240 -1.318 1.00 2.56 H new ATOM 0 HE ARG A 16 6.315 6.758 0.611 1.00 2.52 H new ATOM 0 HH11 ARG A 16 5.780 9.164 2.129 1.00 3.77 H new ATOM 0 HH12 ARG A 16 7.017 9.163 3.390 1.00 3.77 H new ATOM 0 HH21 ARG A 16 9.015 6.830 1.658 1.00 2.99 H new ATOM 0 HH22 ARG A 16 8.886 7.815 3.119 1.00 2.99 H new ATOM 248 N ALA A 17 5.925 4.011 -0.806 1.00 0.77 N ATOM 249 CA ALA A 17 4.491 3.614 -0.871 1.00 1.01 C ATOM 250 C ALA A 17 4.227 2.783 0.376 1.00 1.12 C ATOM 251 O ALA A 17 3.249 2.965 1.085 1.00 1.33 O ATOM 252 CB ALA A 17 4.248 2.763 -2.119 1.00 1.00 C ATOM 0 H ALA A 17 6.537 3.284 -0.435 1.00 0.77 H new ATOM 0 HA ALA A 17 3.835 4.483 -0.920 1.00 1.01 H new ATOM 0 HB1 ALA A 17 3.198 2.474 -2.164 1.00 1.00 H new ATOM 0 HB2 ALA A 17 4.504 3.340 -3.008 1.00 1.00 H new ATOM 0 HB3 ALA A 17 4.869 1.868 -2.076 1.00 1.00 H new ATOM 258 N LYS A 18 5.105 1.830 0.575 1.00 1.05 N ATOM 259 CA LYS A 18 5.016 0.948 1.747 1.00 1.21 C ATOM 260 C LYS A 18 5.046 1.780 3.036 1.00 1.23 C ATOM 261 O LYS A 18 4.373 1.446 3.990 1.00 1.27 O ATOM 262 CB LYS A 18 6.217 0.023 1.646 1.00 1.21 C ATOM 263 CG LYS A 18 6.104 -1.122 2.638 1.00 1.76 C ATOM 264 CD LYS A 18 7.402 -1.916 2.505 1.00 2.67 C ATOM 265 CE LYS A 18 7.433 -3.061 3.524 1.00 3.46 C ATOM 266 NZ LYS A 18 7.172 -2.527 4.888 1.00 3.24 N ATOM 0 H LYS A 18 5.890 1.634 -0.046 1.00 1.05 H new ATOM 0 HA LYS A 18 4.087 0.379 1.773 1.00 1.21 H new ATOM 0 HB2 LYS A 18 6.291 -0.374 0.633 1.00 1.21 H new ATOM 0 HB3 LYS A 18 7.131 0.585 1.836 1.00 1.21 H new ATOM 0 HG2 LYS A 18 5.976 -0.748 3.654 1.00 1.76 H new ATOM 0 HG3 LYS A 18 5.239 -1.747 2.417 1.00 1.76 H new ATOM 0 HD2 LYS A 18 7.489 -2.317 1.495 1.00 2.67 H new ATOM 0 HD3 LYS A 18 8.257 -1.258 2.662 1.00 2.67 H new ATOM 0 HE2 LYS A 18 6.684 -3.810 3.267 1.00 3.46 H new ATOM 0 HE3 LYS A 18 8.403 -3.558 3.497 1.00 3.46 H new ATOM 0 HZ1 LYS A 18 7.963 -2.777 5.516 1.00 3.24 H new ATOM 0 HZ2 LYS A 18 7.079 -1.492 4.844 1.00 3.24 H new ATOM 0 HZ3 LYS A 18 6.292 -2.938 5.259 1.00 3.24 H new ATOM 280 N ASP A 19 5.859 2.812 3.049 1.00 1.21 N ATOM 281 CA ASP A 19 5.939 3.689 4.254 1.00 1.26 C ATOM 282 C ASP A 19 4.544 3.983 4.792 1.00 1.11 C ATOM 283 O ASP A 19 4.287 3.874 5.969 1.00 1.00 O ATOM 284 CB ASP A 19 6.614 5.003 3.861 1.00 1.58 C ATOM 285 CG ASP A 19 5.948 5.571 2.610 1.00 3.41 C ATOM 286 OD1 ASP A 19 6.348 5.130 1.562 1.00 4.21 O ATOM 287 OD2 ASP A 19 5.083 6.417 2.751 1.00 4.65 O ATOM 0 H ASP A 19 6.468 3.081 2.276 1.00 1.21 H new ATOM 0 HA ASP A 19 6.514 3.182 5.029 1.00 1.26 H new ATOM 0 HB2 ASP A 19 6.542 5.719 4.680 1.00 1.58 H new ATOM 0 HB3 ASP A 19 7.675 4.836 3.676 1.00 1.58 H new ATOM 292 N LEU A 20 3.669 4.349 3.903 1.00 1.20 N ATOM 293 CA LEU A 20 2.278 4.666 4.324 1.00 1.19 C ATOM 294 C LEU A 20 1.631 3.438 4.980 1.00 1.00 C ATOM 295 O LEU A 20 0.987 3.550 6.008 1.00 1.15 O ATOM 296 CB LEU A 20 1.523 5.127 3.073 1.00 1.31 C ATOM 297 CG LEU A 20 0.078 5.572 3.371 1.00 1.37 C ATOM 298 CD1 LEU A 20 -0.009 6.389 4.673 1.00 1.51 C ATOM 299 CD2 LEU A 20 -0.376 6.455 2.194 1.00 1.38 C ATOM 0 H LEU A 20 3.855 4.443 2.904 1.00 1.20 H new ATOM 0 HA LEU A 20 2.255 5.458 5.072 1.00 1.19 H new ATOM 0 HB2 LEU A 20 2.064 5.954 2.613 1.00 1.31 H new ATOM 0 HB3 LEU A 20 1.505 4.315 2.347 1.00 1.31 H new ATOM 0 HG LEU A 20 -0.554 4.693 3.492 1.00 1.37 H new ATOM 0 HD11 LEU A 20 -1.043 6.684 4.849 1.00 1.51 H new ATOM 0 HD12 LEU A 20 0.342 5.782 5.508 1.00 1.51 H new ATOM 0 HD13 LEU A 20 0.613 7.280 4.586 1.00 1.51 H new ATOM 0 HD21 LEU A 20 -1.398 6.793 2.366 1.00 1.38 H new ATOM 0 HD22 LEU A 20 0.283 7.319 2.112 1.00 1.38 H new ATOM 0 HD23 LEU A 20 -0.335 5.879 1.270 1.00 1.38 H new ATOM 311 N ALA A 21 1.840 2.292 4.393 1.00 0.73 N ATOM 312 CA ALA A 21 1.251 1.055 4.977 1.00 0.66 C ATOM 313 C ALA A 21 1.860 0.811 6.366 1.00 0.59 C ATOM 314 O ALA A 21 1.143 0.757 7.352 1.00 0.60 O ATOM 315 CB ALA A 21 1.545 -0.133 4.052 1.00 0.66 C ATOM 0 H ALA A 21 2.388 2.159 3.543 1.00 0.73 H new ATOM 0 HA ALA A 21 0.171 1.168 5.077 1.00 0.66 H new ATOM 0 HB1 ALA A 21 1.115 -1.040 4.477 1.00 0.66 H new ATOM 0 HB2 ALA A 21 1.106 0.052 3.072 1.00 0.66 H new ATOM 0 HB3 ALA A 21 2.623 -0.256 3.949 1.00 0.66 H new ATOM 321 N GLU A 22 3.169 0.693 6.408 1.00 0.64 N ATOM 322 CA GLU A 22 3.870 0.463 7.695 1.00 0.73 C ATOM 323 C GLU A 22 3.416 1.508 8.709 1.00 0.72 C ATOM 324 O GLU A 22 3.011 1.197 9.811 1.00 0.78 O ATOM 325 CB GLU A 22 5.376 0.605 7.452 1.00 0.92 C ATOM 326 CG GLU A 22 5.897 -0.600 6.663 1.00 2.32 C ATOM 327 CD GLU A 22 7.403 -0.457 6.404 1.00 2.41 C ATOM 328 OE1 GLU A 22 7.709 0.287 5.495 1.00 3.53 O ATOM 329 OE2 GLU A 22 8.135 -1.212 7.011 1.00 2.31 O ATOM 0 H GLU A 22 3.779 0.748 5.592 1.00 0.64 H new ATOM 0 HA GLU A 22 3.643 -0.531 8.080 1.00 0.73 H new ATOM 0 HB2 GLU A 22 5.579 1.524 6.903 1.00 0.92 H new ATOM 0 HB3 GLU A 22 5.901 0.680 8.404 1.00 0.92 H new ATOM 0 HG2 GLU A 22 5.702 -1.518 7.217 1.00 2.32 H new ATOM 0 HG3 GLU A 22 5.364 -0.681 5.715 1.00 2.32 H new ATOM 336 N LYS A 23 3.492 2.741 8.298 1.00 0.77 N ATOM 337 CA LYS A 23 3.076 3.850 9.197 1.00 0.87 C ATOM 338 C LYS A 23 1.650 3.606 9.702 1.00 0.76 C ATOM 339 O LYS A 23 1.440 3.483 10.888 1.00 0.93 O ATOM 340 CB LYS A 23 3.158 5.166 8.418 1.00 1.01 C ATOM 341 CG LYS A 23 3.219 6.349 9.394 1.00 1.20 C ATOM 342 CD LYS A 23 3.380 7.654 8.598 1.00 2.43 C ATOM 343 CE LYS A 23 2.034 8.061 7.988 1.00 3.89 C ATOM 344 NZ LYS A 23 1.119 8.593 9.033 1.00 4.24 N ATOM 0 H LYS A 23 3.824 3.029 7.378 1.00 0.77 H new ATOM 0 HA LYS A 23 3.736 3.901 10.063 1.00 0.87 H new ATOM 0 HB2 LYS A 23 4.041 5.165 7.778 1.00 1.01 H new ATOM 0 HB3 LYS A 23 2.291 5.267 7.765 1.00 1.01 H new ATOM 0 HG2 LYS A 23 2.311 6.386 9.996 1.00 1.20 H new ATOM 0 HG3 LYS A 23 4.054 6.224 10.083 1.00 1.20 H new ATOM 0 HD2 LYS A 23 3.748 8.446 9.251 1.00 2.43 H new ATOM 0 HD3 LYS A 23 4.121 7.521 7.810 1.00 2.43 H new ATOM 0 HE2 LYS A 23 2.192 8.816 7.218 1.00 3.89 H new ATOM 0 HE3 LYS A 23 1.575 7.200 7.501 1.00 3.89 H new ATOM 0 HZ1 LYS A 23 0.318 7.942 9.157 1.00 4.24 H new ATOM 0 HZ2 LYS A 23 1.634 8.683 9.932 1.00 4.24 H new ATOM 0 HZ3 LYS A 23 0.765 9.526 8.742 1.00 4.24 H new ATOM 358 N LEU A 24 0.705 3.504 8.800 1.00 0.62 N ATOM 359 CA LEU A 24 -0.697 3.268 9.259 1.00 0.60 C ATOM 360 C LEU A 24 -0.764 2.086 10.206 1.00 0.54 C ATOM 361 O LEU A 24 -1.327 2.193 11.260 1.00 0.67 O ATOM 362 CB LEU A 24 -1.627 2.980 8.076 1.00 0.69 C ATOM 363 CG LEU A 24 -2.350 4.260 7.667 1.00 1.40 C ATOM 364 CD1 LEU A 24 -3.170 3.989 6.402 1.00 1.67 C ATOM 365 CD2 LEU A 24 -3.307 4.720 8.789 1.00 1.93 C ATOM 0 H LEU A 24 0.838 3.572 7.791 1.00 0.62 H new ATOM 0 HA LEU A 24 -1.019 4.176 9.769 1.00 0.60 H new ATOM 0 HB2 LEU A 24 -1.052 2.591 7.235 1.00 0.69 H new ATOM 0 HB3 LEU A 24 -2.352 2.213 8.349 1.00 0.69 H new ATOM 0 HG LEU A 24 -1.611 5.040 7.484 1.00 1.40 H new ATOM 0 HD11 LEU A 24 -3.690 4.899 6.103 1.00 1.67 H new ATOM 0 HD12 LEU A 24 -2.505 3.671 5.599 1.00 1.67 H new ATOM 0 HD13 LEU A 24 -3.899 3.204 6.602 1.00 1.67 H new ATOM 0 HD21 LEU A 24 -3.815 5.634 8.482 1.00 1.93 H new ATOM 0 HD22 LEU A 24 -4.045 3.941 8.980 1.00 1.93 H new ATOM 0 HD23 LEU A 24 -2.737 4.910 9.698 1.00 1.93 H new ATOM 377 N SER A 25 -0.245 0.971 9.793 1.00 0.49 N ATOM 378 CA SER A 25 -0.286 -0.230 10.693 1.00 0.55 C ATOM 379 C SER A 25 0.297 0.079 12.084 1.00 0.82 C ATOM 380 O SER A 25 -0.122 -0.502 13.058 1.00 1.02 O ATOM 381 CB SER A 25 0.499 -1.381 10.063 1.00 0.67 C ATOM 382 OG SER A 25 -0.228 -1.700 8.882 1.00 1.61 O ATOM 0 H SER A 25 0.202 0.829 8.887 1.00 0.49 H new ATOM 0 HA SER A 25 -1.332 -0.512 10.816 1.00 0.55 H new ATOM 0 HB2 SER A 25 1.522 -1.085 9.832 1.00 0.67 H new ATOM 0 HB3 SER A 25 0.559 -2.236 10.736 1.00 0.67 H new ATOM 0 HG SER A 25 -1.133 -1.987 9.123 1.00 1.61 H new ATOM 388 N ASN A 26 1.267 0.963 12.144 1.00 1.01 N ATOM 389 CA ASN A 26 1.884 1.311 13.473 1.00 1.38 C ATOM 390 C ASN A 26 1.049 2.373 14.209 1.00 1.38 C ATOM 391 O ASN A 26 0.936 2.337 15.418 1.00 1.81 O ATOM 392 CB ASN A 26 3.302 1.853 13.236 1.00 1.54 C ATOM 393 CG ASN A 26 4.092 1.858 14.553 1.00 2.01 C ATOM 394 OD1 ASN A 26 4.435 0.823 15.084 1.00 2.29 O ATOM 395 ND2 ASN A 26 4.422 2.987 15.110 1.00 3.30 N ATOM 0 H ASN A 26 1.657 1.456 11.341 1.00 1.01 H new ATOM 0 HA ASN A 26 1.917 0.413 14.090 1.00 1.38 H new ATOM 0 HB2 ASN A 26 3.816 1.238 12.497 1.00 1.54 H new ATOM 0 HB3 ASN A 26 3.250 2.863 12.830 1.00 1.54 H new ATOM 0 HD21 ASN A 26 4.959 2.990 15.977 1.00 3.30 H new ATOM 0 HD22 ASN A 26 4.143 3.869 14.680 1.00 3.30 H new ATOM 402 N GLU A 27 0.509 3.301 13.463 1.00 1.33 N ATOM 403 CA GLU A 27 -0.340 4.395 14.060 1.00 1.46 C ATOM 404 C GLU A 27 -1.720 3.842 14.463 1.00 1.75 C ATOM 405 O GLU A 27 -2.284 4.193 15.482 1.00 2.32 O ATOM 406 CB GLU A 27 -0.573 5.487 12.996 1.00 1.41 C ATOM 407 CG GLU A 27 0.740 6.172 12.587 1.00 1.99 C ATOM 408 CD GLU A 27 0.460 7.142 11.430 1.00 2.12 C ATOM 409 OE1 GLU A 27 -0.043 6.662 10.423 1.00 2.90 O ATOM 410 OE2 GLU A 27 0.787 8.311 11.586 1.00 2.60 O ATOM 0 H GLU A 27 0.617 3.355 12.450 1.00 1.33 H new ATOM 0 HA GLU A 27 0.174 4.794 14.935 1.00 1.46 H new ATOM 0 HB2 GLU A 27 -1.042 5.044 12.117 1.00 1.41 H new ATOM 0 HB3 GLU A 27 -1.266 6.232 13.386 1.00 1.41 H new ATOM 0 HG2 GLU A 27 1.164 6.710 13.435 1.00 1.99 H new ATOM 0 HG3 GLU A 27 1.475 5.426 12.283 1.00 1.99 H new ATOM 417 N ARG A 28 -2.221 2.999 13.615 1.00 1.56 N ATOM 418 CA ARG A 28 -3.558 2.369 13.807 1.00 1.91 C ATOM 419 C ARG A 28 -3.432 0.949 14.376 1.00 2.20 C ATOM 420 O ARG A 28 -2.351 0.459 14.616 1.00 2.92 O ATOM 421 CB ARG A 28 -4.251 2.275 12.434 1.00 1.89 C ATOM 422 CG ARG A 28 -4.819 3.627 11.968 1.00 1.86 C ATOM 423 CD ARG A 28 -6.006 4.047 12.851 1.00 2.79 C ATOM 424 NE ARG A 28 -6.899 2.853 13.070 1.00 4.10 N ATOM 425 CZ ARG A 28 -7.115 2.358 14.268 1.00 5.64 C ATOM 426 NH1 ARG A 28 -6.444 2.802 15.288 1.00 6.39 N ATOM 427 NH2 ARG A 28 -7.978 1.399 14.399 1.00 6.92 N ATOM 0 H ARG A 28 -1.743 2.707 12.762 1.00 1.56 H new ATOM 0 HA ARG A 28 -4.130 2.977 14.508 1.00 1.91 H new ATOM 0 HB2 ARG A 28 -3.538 1.910 11.695 1.00 1.89 H new ATOM 0 HB3 ARG A 28 -5.058 1.544 12.487 1.00 1.89 H new ATOM 0 HG2 ARG A 28 -4.040 4.389 12.009 1.00 1.86 H new ATOM 0 HG3 ARG A 28 -5.139 3.555 10.929 1.00 1.86 H new ATOM 0 HD2 ARG A 28 -5.648 4.430 13.807 1.00 2.79 H new ATOM 0 HD3 ARG A 28 -6.564 4.853 12.374 1.00 2.79 H new ATOM 0 HE ARG A 28 -7.349 2.417 12.265 1.00 4.10 H new ATOM 0 HH11 ARG A 28 -5.748 3.536 15.160 1.00 6.39 H new ATOM 0 HH12 ARG A 28 -6.613 2.416 16.217 1.00 6.39 H new ATOM 0 HH21 ARG A 28 -8.474 1.044 13.581 1.00 6.92 H new ATOM 0 HH22 ARG A 28 -8.161 1.000 15.320 1.00 6.92 H new ATOM 441 N ASP A 29 -4.574 0.337 14.585 1.00 2.24 N ATOM 442 CA ASP A 29 -4.626 -1.061 15.131 1.00 2.57 C ATOM 443 C ASP A 29 -5.380 -1.993 14.174 1.00 2.14 C ATOM 444 O ASP A 29 -5.286 -3.201 14.278 1.00 2.60 O ATOM 445 CB ASP A 29 -5.359 -1.059 16.486 1.00 3.41 C ATOM 446 CG ASP A 29 -6.741 -0.403 16.357 1.00 3.26 C ATOM 447 OD1 ASP A 29 -7.611 -1.018 15.775 1.00 3.79 O ATOM 448 OD2 ASP A 29 -6.844 0.721 16.808 1.00 3.73 O ATOM 0 H ASP A 29 -5.487 0.752 14.398 1.00 2.24 H new ATOM 0 HA ASP A 29 -3.603 -1.417 15.249 1.00 2.57 H new ATOM 0 HB2 ASP A 29 -5.469 -2.082 16.847 1.00 3.41 H new ATOM 0 HB3 ASP A 29 -4.764 -0.523 17.225 1.00 3.41 H new ATOM 453 N ASP A 30 -6.052 -1.401 13.226 1.00 1.75 N ATOM 454 CA ASP A 30 -6.868 -2.189 12.252 1.00 1.42 C ATOM 455 C ASP A 30 -6.213 -2.331 10.871 1.00 1.33 C ATOM 456 O ASP A 30 -6.223 -3.401 10.298 1.00 2.32 O ATOM 457 CB ASP A 30 -8.242 -1.489 12.103 1.00 1.73 C ATOM 458 CG ASP A 30 -8.123 0.037 11.898 1.00 3.43 C ATOM 459 OD1 ASP A 30 -7.020 0.536 11.795 1.00 4.52 O ATOM 460 OD2 ASP A 30 -9.162 0.658 11.921 1.00 4.32 O ATOM 0 H ASP A 30 -6.072 -0.392 13.081 1.00 1.75 H new ATOM 0 HA ASP A 30 -6.966 -3.201 12.645 1.00 1.42 H new ATOM 0 HB2 ASP A 30 -8.775 -1.923 11.257 1.00 1.73 H new ATOM 0 HB3 ASP A 30 -8.842 -1.685 12.992 1.00 1.73 H new ATOM 465 N PHE A 31 -5.711 -1.253 10.346 1.00 0.83 N ATOM 466 CA PHE A 31 -5.064 -1.273 8.996 1.00 0.70 C ATOM 467 C PHE A 31 -4.043 -2.416 8.820 1.00 0.71 C ATOM 468 O PHE A 31 -2.958 -2.382 9.387 1.00 0.76 O ATOM 469 CB PHE A 31 -4.377 0.081 8.781 1.00 0.60 C ATOM 470 CG PHE A 31 -3.769 0.132 7.377 1.00 0.57 C ATOM 471 CD1 PHE A 31 -4.542 0.507 6.298 1.00 0.71 C ATOM 472 CD2 PHE A 31 -2.454 -0.223 7.169 1.00 0.55 C ATOM 473 CE1 PHE A 31 -4.006 0.526 5.028 1.00 0.82 C ATOM 474 CE2 PHE A 31 -1.916 -0.204 5.906 1.00 0.62 C ATOM 475 CZ PHE A 31 -2.690 0.173 4.833 1.00 0.76 C ATOM 0 H PHE A 31 -5.719 -0.339 10.799 1.00 0.83 H new ATOM 0 HA PHE A 31 -5.842 -1.451 8.253 1.00 0.70 H new ATOM 0 HB2 PHE A 31 -5.097 0.889 8.906 1.00 0.60 H new ATOM 0 HB3 PHE A 31 -3.599 0.229 9.530 1.00 0.60 H new ATOM 0 HD1 PHE A 31 -5.574 0.788 6.449 1.00 0.71 H new ATOM 0 HD2 PHE A 31 -1.841 -0.519 8.007 1.00 0.55 H new ATOM 0 HE1 PHE A 31 -4.618 0.817 4.187 1.00 0.82 H new ATOM 0 HE2 PHE A 31 -0.884 -0.485 5.755 1.00 0.62 H new ATOM 0 HZ PHE A 31 -2.266 0.192 3.840 1.00 0.76 H new ATOM 485 N GLN A 32 -4.380 -3.387 7.994 1.00 0.83 N ATOM 486 CA GLN A 32 -3.448 -4.522 7.747 1.00 0.92 C ATOM 487 C GLN A 32 -2.783 -4.317 6.379 1.00 0.83 C ATOM 488 O GLN A 32 -3.323 -3.633 5.518 1.00 1.26 O ATOM 489 CB GLN A 32 -4.280 -5.809 7.721 1.00 1.20 C ATOM 490 CG GLN A 32 -3.462 -7.011 8.201 1.00 2.01 C ATOM 491 CD GLN A 32 -2.509 -7.483 7.099 1.00 3.77 C ATOM 492 OE1 GLN A 32 -2.928 -7.932 6.055 1.00 4.35 O ATOM 493 NE2 GLN A 32 -1.222 -7.386 7.278 1.00 5.29 N ATOM 0 H GLN A 32 -5.262 -3.434 7.484 1.00 0.83 H new ATOM 0 HA GLN A 32 -2.682 -4.580 8.520 1.00 0.92 H new ATOM 0 HB2 GLN A 32 -5.159 -5.689 8.354 1.00 1.20 H new ATOM 0 HB3 GLN A 32 -4.639 -5.992 6.708 1.00 1.20 H new ATOM 0 HG2 GLN A 32 -2.894 -6.740 9.091 1.00 2.01 H new ATOM 0 HG3 GLN A 32 -4.130 -7.824 8.485 1.00 2.01 H new ATOM 0 HE21 GLN A 32 -0.856 -7.010 8.152 1.00 5.29 H new ATOM 0 HE22 GLN A 32 -0.581 -7.686 6.544 1.00 5.29 H new ATOM 502 N TYR A 33 -1.630 -4.899 6.185 1.00 0.72 N ATOM 503 CA TYR A 33 -0.943 -4.746 4.872 1.00 0.58 C ATOM 504 C TYR A 33 0.166 -5.793 4.700 1.00 0.56 C ATOM 505 O TYR A 33 0.690 -6.325 5.666 1.00 0.64 O ATOM 506 CB TYR A 33 -0.329 -3.333 4.772 1.00 0.64 C ATOM 507 CG TYR A 33 1.136 -3.341 5.213 1.00 0.54 C ATOM 508 CD1 TYR A 33 1.477 -3.297 6.547 1.00 0.64 C ATOM 509 CD2 TYR A 33 2.135 -3.461 4.267 1.00 0.73 C ATOM 510 CE1 TYR A 33 2.799 -3.378 6.930 1.00 0.83 C ATOM 511 CE2 TYR A 33 3.452 -3.548 4.653 1.00 0.88 C ATOM 512 CZ TYR A 33 3.793 -3.511 5.984 1.00 0.91 C ATOM 513 OH TYR A 33 5.108 -3.663 6.360 1.00 1.24 O ATOM 0 H TYR A 33 -1.138 -5.469 6.873 1.00 0.72 H new ATOM 0 HA TYR A 33 -1.681 -4.892 4.083 1.00 0.58 H new ATOM 0 HB2 TYR A 33 -0.402 -2.972 3.746 1.00 0.64 H new ATOM 0 HB3 TYR A 33 -0.896 -2.641 5.394 1.00 0.64 H new ATOM 0 HD1 TYR A 33 0.705 -3.199 7.296 1.00 0.64 H new ATOM 0 HD2 TYR A 33 1.880 -3.487 3.218 1.00 0.73 H new ATOM 0 HE1 TYR A 33 3.058 -3.337 7.978 1.00 0.83 H new ATOM 0 HE2 TYR A 33 4.224 -3.646 3.905 1.00 0.88 H new ATOM 0 HH TYR A 33 5.150 -4.120 7.226 1.00 1.24 H new ATOM 523 N GLN A 34 0.483 -6.048 3.465 1.00 0.51 N ATOM 524 CA GLN A 34 1.569 -7.006 3.122 1.00 0.56 C ATOM 525 C GLN A 34 2.385 -6.431 1.948 1.00 0.50 C ATOM 526 O GLN A 34 1.862 -5.686 1.130 1.00 0.50 O ATOM 527 CB GLN A 34 0.922 -8.341 2.736 1.00 0.70 C ATOM 528 CG GLN A 34 2.001 -9.399 2.448 1.00 1.22 C ATOM 529 CD GLN A 34 1.360 -10.786 2.326 1.00 2.00 C ATOM 530 OE1 GLN A 34 2.036 -11.779 2.194 1.00 3.09 O ATOM 531 NE2 GLN A 34 0.064 -10.900 2.363 1.00 3.12 N ATOM 0 H GLN A 34 0.025 -5.623 2.659 1.00 0.51 H new ATOM 0 HA GLN A 34 2.240 -7.163 3.966 1.00 0.56 H new ATOM 0 HB2 GLN A 34 0.274 -8.684 3.542 1.00 0.70 H new ATOM 0 HB3 GLN A 34 0.293 -8.206 1.856 1.00 0.70 H new ATOM 0 HG2 GLN A 34 2.528 -9.151 1.526 1.00 1.22 H new ATOM 0 HG3 GLN A 34 2.742 -9.401 3.248 1.00 1.22 H new ATOM 0 HE21 GLN A 34 -0.518 -10.070 2.474 1.00 3.12 H new ATOM 0 HE22 GLN A 34 -0.370 -11.820 2.281 1.00 3.12 H new ATOM 540 N TYR A 35 3.636 -6.796 1.862 1.00 0.52 N ATOM 541 CA TYR A 35 4.447 -6.265 0.730 1.00 0.51 C ATOM 542 C TYR A 35 4.673 -7.404 -0.246 1.00 0.52 C ATOM 543 O TYR A 35 4.937 -8.518 0.164 1.00 0.66 O ATOM 544 CB TYR A 35 5.791 -5.717 1.224 1.00 0.65 C ATOM 545 CG TYR A 35 6.504 -5.044 0.039 1.00 0.66 C ATOM 546 CD1 TYR A 35 7.317 -5.776 -0.803 1.00 0.76 C ATOM 547 CD2 TYR A 35 6.302 -3.707 -0.235 1.00 0.86 C ATOM 548 CE1 TYR A 35 7.919 -5.183 -1.899 1.00 0.84 C ATOM 549 CE2 TYR A 35 6.902 -3.112 -1.328 1.00 0.97 C ATOM 550 CZ TYR A 35 7.717 -3.845 -2.169 1.00 0.88 C ATOM 551 OH TYR A 35 8.329 -3.235 -3.250 1.00 1.05 O ATOM 0 H TYR A 35 4.120 -7.421 2.507 1.00 0.52 H new ATOM 0 HA TYR A 35 3.919 -5.442 0.249 1.00 0.51 H new ATOM 0 HB2 TYR A 35 5.635 -5.000 2.030 1.00 0.65 H new ATOM 0 HB3 TYR A 35 6.404 -6.523 1.628 1.00 0.65 H new ATOM 0 HD1 TYR A 35 7.485 -6.824 -0.604 1.00 0.76 H new ATOM 0 HD2 TYR A 35 5.668 -3.119 0.412 1.00 0.86 H new ATOM 0 HE1 TYR A 35 8.551 -5.771 -2.547 1.00 0.84 H new ATOM 0 HE2 TYR A 35 6.732 -2.064 -1.527 1.00 0.97 H new ATOM 0 HH TYR A 35 9.110 -3.760 -3.523 1.00 1.05 H new ATOM 561 N VAL A 36 4.567 -7.095 -1.502 1.00 0.49 N ATOM 562 CA VAL A 36 4.741 -8.116 -2.557 1.00 0.56 C ATOM 563 C VAL A 36 5.833 -7.642 -3.525 1.00 0.59 C ATOM 564 O VAL A 36 5.927 -6.459 -3.818 1.00 0.63 O ATOM 565 CB VAL A 36 3.343 -8.261 -3.206 1.00 0.59 C ATOM 566 CG1 VAL A 36 3.431 -8.624 -4.691 1.00 0.66 C ATOM 567 CG2 VAL A 36 2.578 -9.374 -2.471 1.00 0.66 C ATOM 0 H VAL A 36 4.363 -6.157 -1.847 1.00 0.49 H new ATOM 0 HA VAL A 36 5.073 -9.089 -2.195 1.00 0.56 H new ATOM 0 HB VAL A 36 2.831 -7.302 -3.126 1.00 0.59 H new ATOM 0 HG11 VAL A 36 2.426 -8.715 -5.103 1.00 0.66 H new ATOM 0 HG12 VAL A 36 3.973 -7.843 -5.225 1.00 0.66 H new ATOM 0 HG13 VAL A 36 3.957 -9.572 -4.803 1.00 0.66 H new ATOM 0 HG21 VAL A 36 1.589 -9.490 -2.915 1.00 0.66 H new ATOM 0 HG22 VAL A 36 3.127 -10.311 -2.557 1.00 0.66 H new ATOM 0 HG23 VAL A 36 2.474 -9.110 -1.419 1.00 0.66 H new ATOM 577 N ASP A 37 6.613 -8.578 -4.005 1.00 0.64 N ATOM 578 CA ASP A 37 7.724 -8.244 -4.949 1.00 0.70 C ATOM 579 C ASP A 37 7.411 -8.951 -6.271 1.00 0.81 C ATOM 580 O ASP A 37 7.341 -10.179 -6.335 1.00 1.13 O ATOM 581 CB ASP A 37 9.066 -8.747 -4.369 1.00 0.76 C ATOM 582 CG ASP A 37 10.265 -8.236 -5.180 1.00 0.98 C ATOM 583 OD1 ASP A 37 10.112 -8.100 -6.383 1.00 1.62 O ATOM 584 OD2 ASP A 37 11.295 -8.039 -4.559 1.00 2.47 O ATOM 0 H ASP A 37 6.527 -9.569 -3.781 1.00 0.64 H new ATOM 0 HA ASP A 37 7.808 -7.168 -5.101 1.00 0.70 H new ATOM 0 HB2 ASP A 37 9.161 -8.418 -3.334 1.00 0.76 H new ATOM 0 HB3 ASP A 37 9.072 -9.837 -4.359 1.00 0.76 H new ATOM 589 N ILE A 38 7.239 -8.169 -7.306 1.00 0.79 N ATOM 590 CA ILE A 38 6.905 -8.764 -8.634 1.00 0.92 C ATOM 591 C ILE A 38 7.917 -9.847 -9.020 1.00 1.01 C ATOM 592 O ILE A 38 7.640 -10.657 -9.885 1.00 1.13 O ATOM 593 CB ILE A 38 6.849 -7.672 -9.713 1.00 1.01 C ATOM 594 CG1 ILE A 38 8.221 -7.013 -9.845 1.00 1.14 C ATOM 595 CG2 ILE A 38 5.798 -6.620 -9.313 1.00 1.00 C ATOM 596 CD1 ILE A 38 8.282 -6.211 -11.146 1.00 1.28 C ATOM 0 H ILE A 38 7.315 -7.152 -7.289 1.00 0.79 H new ATOM 0 HA ILE A 38 5.923 -9.230 -8.559 1.00 0.92 H new ATOM 0 HB ILE A 38 6.573 -8.113 -10.671 1.00 1.01 H new ATOM 0 HG12 ILE A 38 8.404 -6.358 -8.993 1.00 1.14 H new ATOM 0 HG13 ILE A 38 9.003 -7.773 -9.837 1.00 1.14 H new ATOM 0 HG21 ILE A 38 5.754 -5.842 -10.075 1.00 1.00 H new ATOM 0 HG22 ILE A 38 4.822 -7.097 -9.224 1.00 1.00 H new ATOM 0 HG23 ILE A 38 6.074 -6.176 -8.357 1.00 1.00 H new ATOM 0 HD11 ILE A 38 9.261 -5.742 -11.238 1.00 1.28 H new ATOM 0 HD12 ILE A 38 8.118 -6.878 -11.992 1.00 1.28 H new ATOM 0 HD13 ILE A 38 7.510 -5.441 -11.135 1.00 1.28 H new ATOM 608 N ARG A 39 9.069 -9.820 -8.393 1.00 1.06 N ATOM 609 CA ARG A 39 10.110 -10.840 -8.690 1.00 1.24 C ATOM 610 C ARG A 39 9.784 -12.179 -8.031 1.00 1.13 C ATOM 611 O ARG A 39 10.039 -13.219 -8.613 1.00 1.30 O ATOM 612 CB ARG A 39 11.471 -10.362 -8.159 1.00 1.58 C ATOM 613 CG ARG A 39 12.174 -9.494 -9.212 1.00 1.87 C ATOM 614 CD ARG A 39 13.644 -9.933 -9.349 1.00 2.53 C ATOM 615 NE ARG A 39 13.768 -11.365 -9.818 1.00 3.49 N ATOM 616 CZ ARG A 39 12.720 -12.094 -10.075 1.00 4.57 C ATOM 617 NH1 ARG A 39 12.025 -11.822 -11.131 1.00 5.65 N ATOM 618 NH2 ARG A 39 12.414 -13.059 -9.264 1.00 5.33 N ATOM 0 H ARG A 39 9.329 -9.131 -7.687 1.00 1.06 H new ATOM 0 HA ARG A 39 10.141 -10.973 -9.771 1.00 1.24 H new ATOM 0 HB2 ARG A 39 11.332 -9.792 -7.241 1.00 1.58 H new ATOM 0 HB3 ARG A 39 12.094 -11.221 -7.909 1.00 1.58 H new ATOM 0 HG2 ARG A 39 11.666 -9.587 -10.172 1.00 1.87 H new ATOM 0 HG3 ARG A 39 12.123 -8.444 -8.924 1.00 1.87 H new ATOM 0 HD2 ARG A 39 14.154 -9.276 -10.053 1.00 2.53 H new ATOM 0 HD3 ARG A 39 14.146 -9.822 -8.388 1.00 2.53 H new ATOM 0 HE ARG A 39 14.696 -11.771 -9.936 1.00 3.49 H new ATOM 0 HH11 ARG A 39 12.302 -11.052 -11.740 1.00 5.65 H new ATOM 0 HH12 ARG A 39 11.200 -12.378 -11.355 1.00 5.65 H new ATOM 0 HH21 ARG A 39 12.991 -13.236 -8.441 1.00 5.33 H new ATOM 0 HH22 ARG A 39 11.597 -13.641 -9.449 1.00 5.33 H new ATOM 632 N ALA A 40 9.252 -12.136 -6.840 1.00 1.18 N ATOM 633 CA ALA A 40 8.926 -13.405 -6.124 1.00 1.20 C ATOM 634 C ALA A 40 7.684 -14.029 -6.746 1.00 1.11 C ATOM 635 O ALA A 40 7.626 -15.230 -6.953 1.00 1.20 O ATOM 636 CB ALA A 40 8.674 -13.094 -4.648 1.00 1.32 C ATOM 0 H ALA A 40 9.029 -11.280 -6.332 1.00 1.18 H new ATOM 0 HA ALA A 40 9.756 -14.106 -6.208 1.00 1.20 H new ATOM 0 HB1 ALA A 40 8.435 -14.016 -4.118 1.00 1.32 H new ATOM 0 HB2 ALA A 40 9.567 -12.646 -4.213 1.00 1.32 H new ATOM 0 HB3 ALA A 40 7.840 -12.398 -4.560 1.00 1.32 H new ATOM 642 N GLU A 41 6.716 -13.193 -7.012 1.00 1.02 N ATOM 643 CA GLU A 41 5.463 -13.693 -7.643 1.00 1.06 C ATOM 644 C GLU A 41 5.721 -13.976 -9.133 1.00 1.13 C ATOM 645 O GLU A 41 5.282 -14.977 -9.657 1.00 1.39 O ATOM 646 CB GLU A 41 4.355 -12.627 -7.498 1.00 1.02 C ATOM 647 CG GLU A 41 3.526 -12.859 -6.217 1.00 1.42 C ATOM 648 CD GLU A 41 4.425 -12.956 -4.978 1.00 2.18 C ATOM 649 OE1 GLU A 41 5.066 -11.956 -4.684 1.00 3.10 O ATOM 650 OE2 GLU A 41 4.415 -14.029 -4.397 1.00 3.36 O ATOM 0 H GLU A 41 6.739 -12.191 -6.821 1.00 1.02 H new ATOM 0 HA GLU A 41 5.145 -14.612 -7.151 1.00 1.06 H new ATOM 0 HB2 GLU A 41 4.803 -11.634 -7.470 1.00 1.02 H new ATOM 0 HB3 GLU A 41 3.700 -12.657 -8.369 1.00 1.02 H new ATOM 0 HG2 GLU A 41 2.815 -12.043 -6.089 1.00 1.42 H new ATOM 0 HG3 GLU A 41 2.945 -13.775 -6.319 1.00 1.42 H new ATOM 657 N GLY A 42 6.420 -13.081 -9.783 1.00 1.10 N ATOM 658 CA GLY A 42 6.711 -13.270 -11.238 1.00 1.24 C ATOM 659 C GLY A 42 5.642 -12.537 -12.039 1.00 1.24 C ATOM 660 O GLY A 42 4.939 -13.137 -12.822 1.00 1.41 O ATOM 0 H GLY A 42 6.801 -12.229 -9.371 1.00 1.10 H new ATOM 0 HA2 GLY A 42 7.700 -12.882 -11.481 1.00 1.24 H new ATOM 0 HA3 GLY A 42 6.714 -14.330 -11.490 1.00 1.24 H new ATOM 664 N ILE A 43 5.560 -11.245 -11.839 1.00 1.11 N ATOM 665 CA ILE A 43 4.505 -10.451 -12.558 1.00 1.17 C ATOM 666 C ILE A 43 5.104 -9.451 -13.549 1.00 1.21 C ATOM 667 O ILE A 43 6.264 -9.080 -13.452 1.00 1.20 O ATOM 668 CB ILE A 43 3.674 -9.687 -11.506 1.00 1.14 C ATOM 669 CG1 ILE A 43 3.077 -10.666 -10.479 1.00 1.21 C ATOM 670 CG2 ILE A 43 2.543 -8.894 -12.183 1.00 1.29 C ATOM 671 CD1 ILE A 43 2.014 -11.569 -11.125 1.00 2.83 C ATOM 0 H ILE A 43 6.166 -10.708 -11.219 1.00 1.11 H new ATOM 0 HA ILE A 43 3.886 -11.143 -13.129 1.00 1.17 H new ATOM 0 HB ILE A 43 4.336 -8.990 -10.991 1.00 1.14 H new ATOM 0 HG12 ILE A 43 3.871 -11.281 -10.054 1.00 1.21 H new ATOM 0 HG13 ILE A 43 2.632 -10.107 -9.656 1.00 1.21 H new ATOM 0 HG21 ILE A 43 1.968 -8.362 -11.425 1.00 1.29 H new ATOM 0 HG22 ILE A 43 2.970 -8.177 -12.884 1.00 1.29 H new ATOM 0 HG23 ILE A 43 1.888 -9.580 -12.720 1.00 1.29 H new ATOM 0 HD11 ILE A 43 1.610 -12.250 -10.375 1.00 2.83 H new ATOM 0 HD12 ILE A 43 1.209 -10.953 -11.527 1.00 2.83 H new ATOM 0 HD13 ILE A 43 2.467 -12.145 -11.932 1.00 2.83 H new ATOM 683 N THR A 44 4.274 -9.028 -14.464 1.00 1.37 N ATOM 684 CA THR A 44 4.690 -8.048 -15.505 1.00 1.55 C ATOM 685 C THR A 44 3.801 -6.793 -15.424 1.00 1.75 C ATOM 686 O THR A 44 2.655 -6.871 -15.001 1.00 2.51 O ATOM 687 CB THR A 44 4.516 -8.738 -16.865 1.00 1.73 C ATOM 688 OG1 THR A 44 3.394 -9.599 -16.676 1.00 1.97 O ATOM 689 CG2 THR A 44 5.680 -9.689 -17.173 1.00 1.77 C ATOM 0 H THR A 44 3.302 -9.329 -14.534 1.00 1.37 H new ATOM 0 HA THR A 44 5.724 -7.736 -15.362 1.00 1.55 H new ATOM 0 HB THR A 44 4.433 -7.991 -17.654 1.00 1.73 H new ATOM 0 HG1 THR A 44 2.684 -9.353 -17.305 1.00 1.97 H new ATOM 0 HG21 THR A 44 5.520 -10.158 -18.144 1.00 1.77 H new ATOM 0 HG22 THR A 44 6.614 -9.127 -17.191 1.00 1.77 H new ATOM 0 HG23 THR A 44 5.735 -10.459 -16.403 1.00 1.77 H new ATOM 697 N LYS A 45 4.339 -5.656 -15.813 1.00 1.74 N ATOM 698 CA LYS A 45 3.506 -4.413 -15.762 1.00 1.91 C ATOM 699 C LYS A 45 2.237 -4.609 -16.585 1.00 1.92 C ATOM 700 O LYS A 45 1.173 -4.230 -16.163 1.00 2.29 O ATOM 701 CB LYS A 45 4.281 -3.205 -16.319 1.00 2.34 C ATOM 702 CG LYS A 45 3.448 -1.912 -16.109 1.00 3.25 C ATOM 703 CD LYS A 45 3.198 -1.197 -17.452 1.00 3.79 C ATOM 704 CE LYS A 45 2.205 -2.014 -18.285 1.00 4.54 C ATOM 705 NZ LYS A 45 2.072 -1.483 -19.666 1.00 4.82 N ATOM 0 H LYS A 45 5.293 -5.538 -16.154 1.00 1.74 H new ATOM 0 HA LYS A 45 3.252 -4.219 -14.720 1.00 1.91 H new ATOM 0 HB2 LYS A 45 5.244 -3.115 -15.817 1.00 2.34 H new ATOM 0 HB3 LYS A 45 4.487 -3.349 -17.380 1.00 2.34 H new ATOM 0 HG2 LYS A 45 2.495 -2.160 -15.641 1.00 3.25 H new ATOM 0 HG3 LYS A 45 3.973 -1.242 -15.428 1.00 3.25 H new ATOM 0 HD2 LYS A 45 2.805 -0.196 -17.276 1.00 3.79 H new ATOM 0 HD3 LYS A 45 4.136 -1.080 -17.995 1.00 3.79 H new ATOM 0 HE2 LYS A 45 2.533 -3.053 -18.325 1.00 4.54 H new ATOM 0 HE3 LYS A 45 1.230 -2.007 -17.798 1.00 4.54 H new ATOM 0 HZ1 LYS A 45 2.216 -2.254 -20.350 1.00 4.82 H new ATOM 0 HZ2 LYS A 45 1.122 -1.080 -19.793 1.00 4.82 H new ATOM 0 HZ3 LYS A 45 2.786 -0.743 -19.824 1.00 4.82 H new ATOM 719 N GLU A 46 2.395 -5.135 -17.775 1.00 1.87 N ATOM 720 CA GLU A 46 1.213 -5.362 -18.662 1.00 2.02 C ATOM 721 C GLU A 46 0.066 -5.991 -17.863 1.00 1.83 C ATOM 722 O GLU A 46 -1.019 -5.448 -17.793 1.00 1.90 O ATOM 723 CB GLU A 46 1.648 -6.270 -19.824 1.00 2.28 C ATOM 724 CG GLU A 46 2.978 -5.762 -20.432 1.00 2.53 C ATOM 725 CD GLU A 46 2.951 -4.241 -20.623 1.00 3.41 C ATOM 726 OE1 GLU A 46 1.983 -3.776 -21.193 1.00 4.34 O ATOM 727 OE2 GLU A 46 3.884 -3.602 -20.165 1.00 4.20 O ATOM 0 H GLU A 46 3.292 -5.417 -18.170 1.00 1.87 H new ATOM 0 HA GLU A 46 0.850 -4.415 -19.062 1.00 2.02 H new ATOM 0 HB2 GLU A 46 1.770 -7.293 -19.469 1.00 2.28 H new ATOM 0 HB3 GLU A 46 0.873 -6.288 -20.590 1.00 2.28 H new ATOM 0 HG2 GLU A 46 3.808 -6.035 -19.780 1.00 2.53 H new ATOM 0 HG3 GLU A 46 3.153 -6.249 -21.391 1.00 2.53 H new ATOM 734 N ASP A 47 0.338 -7.109 -17.260 1.00 1.69 N ATOM 735 CA ASP A 47 -0.699 -7.792 -16.436 1.00 1.67 C ATOM 736 C ASP A 47 -1.218 -6.848 -15.346 1.00 1.50 C ATOM 737 O ASP A 47 -2.404 -6.569 -15.246 1.00 1.59 O ATOM 738 CB ASP A 47 -0.036 -9.020 -15.813 1.00 1.67 C ATOM 739 CG ASP A 47 0.139 -10.086 -16.894 1.00 3.16 C ATOM 740 OD1 ASP A 47 0.920 -9.823 -17.800 1.00 4.37 O ATOM 741 OD2 ASP A 47 -0.541 -11.085 -16.772 1.00 3.91 O ATOM 0 H ASP A 47 1.239 -7.585 -17.301 1.00 1.69 H new ATOM 0 HA ASP A 47 -1.553 -8.084 -17.047 1.00 1.67 H new ATOM 0 HB2 ASP A 47 0.931 -8.752 -15.387 1.00 1.67 H new ATOM 0 HB3 ASP A 47 -0.647 -9.406 -14.997 1.00 1.67 H new ATOM 746 N LEU A 48 -0.304 -6.361 -14.555 1.00 1.34 N ATOM 747 CA LEU A 48 -0.694 -5.427 -13.450 1.00 1.33 C ATOM 748 C LEU A 48 -1.649 -4.347 -13.975 1.00 1.41 C ATOM 749 O LEU A 48 -2.680 -4.076 -13.380 1.00 1.52 O ATOM 750 CB LEU A 48 0.580 -4.805 -12.875 1.00 1.38 C ATOM 751 CG LEU A 48 1.344 -5.888 -12.104 1.00 1.42 C ATOM 752 CD1 LEU A 48 2.824 -5.516 -12.017 1.00 1.62 C ATOM 753 CD2 LEU A 48 0.776 -6.003 -10.682 1.00 1.59 C ATOM 0 H LEU A 48 0.693 -6.565 -14.621 1.00 1.34 H new ATOM 0 HA LEU A 48 -1.219 -5.971 -12.665 1.00 1.33 H new ATOM 0 HB2 LEU A 48 1.200 -4.402 -13.676 1.00 1.38 H new ATOM 0 HB3 LEU A 48 0.331 -3.974 -12.215 1.00 1.38 H new ATOM 0 HG LEU A 48 1.235 -6.839 -12.626 1.00 1.42 H new ATOM 0 HD11 LEU A 48 3.362 -6.289 -11.468 1.00 1.62 H new ATOM 0 HD12 LEU A 48 3.237 -5.430 -13.022 1.00 1.62 H new ATOM 0 HD13 LEU A 48 2.930 -4.563 -11.499 1.00 1.62 H new ATOM 0 HD21 LEU A 48 1.319 -6.773 -10.134 1.00 1.59 H new ATOM 0 HD22 LEU A 48 0.884 -5.048 -10.169 1.00 1.59 H new ATOM 0 HD23 LEU A 48 -0.280 -6.270 -10.732 1.00 1.59 H new ATOM 765 N GLN A 49 -1.278 -3.788 -15.084 1.00 1.48 N ATOM 766 CA GLN A 49 -2.101 -2.736 -15.729 1.00 1.66 C ATOM 767 C GLN A 49 -3.533 -3.239 -15.898 1.00 1.63 C ATOM 768 O GLN A 49 -4.475 -2.544 -15.568 1.00 1.65 O ATOM 769 CB GLN A 49 -1.501 -2.436 -17.099 1.00 1.97 C ATOM 770 CG GLN A 49 -2.153 -1.190 -17.692 1.00 2.30 C ATOM 771 CD GLN A 49 -1.781 -1.102 -19.171 1.00 2.85 C ATOM 772 OE1 GLN A 49 -0.633 -0.895 -19.529 1.00 3.49 O ATOM 773 NE2 GLN A 49 -2.710 -1.271 -20.061 1.00 3.62 N ATOM 0 H GLN A 49 -0.419 -4.021 -15.583 1.00 1.48 H new ATOM 0 HA GLN A 49 -2.112 -1.835 -15.115 1.00 1.66 H new ATOM 0 HB2 GLN A 49 -0.425 -2.286 -17.009 1.00 1.97 H new ATOM 0 HB3 GLN A 49 -1.650 -3.286 -17.765 1.00 1.97 H new ATOM 0 HG2 GLN A 49 -3.236 -1.238 -17.577 1.00 2.30 H new ATOM 0 HG3 GLN A 49 -1.816 -0.298 -17.163 1.00 2.30 H new ATOM 0 HE21 GLN A 49 -3.671 -1.444 -19.768 1.00 3.62 H new ATOM 0 HE22 GLN A 49 -2.479 -1.230 -21.054 1.00 3.62 H new ATOM 782 N GLN A 50 -3.665 -4.416 -16.460 1.00 1.69 N ATOM 783 CA GLN A 50 -5.020 -5.010 -16.654 1.00 1.84 C ATOM 784 C GLN A 50 -5.793 -5.011 -15.334 1.00 1.68 C ATOM 785 O GLN A 50 -7.010 -4.933 -15.300 1.00 1.80 O ATOM 786 CB GLN A 50 -4.832 -6.446 -17.142 1.00 2.03 C ATOM 787 CG GLN A 50 -6.185 -7.090 -17.453 1.00 2.95 C ATOM 788 CD GLN A 50 -7.003 -6.177 -18.368 1.00 4.21 C ATOM 789 OE1 GLN A 50 -6.605 -5.877 -19.473 1.00 4.88 O ATOM 790 NE2 GLN A 50 -8.132 -5.694 -17.943 1.00 5.62 N ATOM 0 H GLN A 50 -2.890 -4.990 -16.792 1.00 1.69 H new ATOM 0 HA GLN A 50 -5.586 -4.426 -17.380 1.00 1.84 H new ATOM 0 HB2 GLN A 50 -4.206 -6.454 -18.034 1.00 2.03 H new ATOM 0 HB3 GLN A 50 -4.312 -7.029 -16.382 1.00 2.03 H new ATOM 0 HG2 GLN A 50 -6.035 -8.058 -17.932 1.00 2.95 H new ATOM 0 HG3 GLN A 50 -6.731 -7.274 -16.527 1.00 2.95 H new ATOM 0 HE21 GLN A 50 -8.475 -5.941 -17.015 1.00 5.62 H new ATOM 0 HE22 GLN A 50 -8.675 -5.068 -18.538 1.00 5.62 H new ATOM 799 N LYS A 51 -5.049 -5.157 -14.279 1.00 1.51 N ATOM 800 CA LYS A 51 -5.657 -5.175 -12.911 1.00 1.50 C ATOM 801 C LYS A 51 -5.483 -3.825 -12.212 1.00 1.22 C ATOM 802 O LYS A 51 -5.601 -3.754 -11.003 1.00 1.38 O ATOM 803 CB LYS A 51 -4.942 -6.248 -12.079 1.00 1.70 C ATOM 804 CG LYS A 51 -5.942 -7.325 -11.615 1.00 2.59 C ATOM 805 CD LYS A 51 -5.396 -8.018 -10.357 1.00 2.57 C ATOM 806 CE LYS A 51 -5.626 -7.154 -9.101 1.00 3.16 C ATOM 807 NZ LYS A 51 -5.895 -5.717 -9.435 1.00 4.03 N ATOM 0 H LYS A 51 -4.035 -5.266 -14.299 1.00 1.51 H new ATOM 0 HA LYS A 51 -6.722 -5.386 -13.003 1.00 1.50 H new ATOM 0 HB2 LYS A 51 -4.151 -6.708 -12.671 1.00 1.70 H new ATOM 0 HB3 LYS A 51 -4.466 -5.788 -11.213 1.00 1.70 H new ATOM 0 HG2 LYS A 51 -6.910 -6.871 -11.403 1.00 2.59 H new ATOM 0 HG3 LYS A 51 -6.100 -8.057 -12.408 1.00 2.59 H new ATOM 0 HD2 LYS A 51 -5.883 -8.985 -10.231 1.00 2.57 H new ATOM 0 HD3 LYS A 51 -4.330 -8.211 -10.479 1.00 2.57 H new ATOM 0 HE2 LYS A 51 -6.467 -7.556 -8.536 1.00 3.16 H new ATOM 0 HE3 LYS A 51 -4.750 -7.216 -8.456 1.00 3.16 H new ATOM 0 HZ1 LYS A 51 -5.841 -5.143 -8.569 1.00 4.03 H new ATOM 0 HZ2 LYS A 51 -5.186 -5.381 -10.118 1.00 4.03 H new ATOM 0 HZ3 LYS A 51 -6.845 -5.629 -9.850 1.00 4.03 H new ATOM 821 N ALA A 52 -5.229 -2.806 -12.974 1.00 1.32 N ATOM 822 CA ALA A 52 -5.034 -1.448 -12.382 1.00 1.26 C ATOM 823 C ALA A 52 -6.167 -0.514 -12.798 1.00 1.46 C ATOM 824 O ALA A 52 -6.618 0.319 -12.024 1.00 1.83 O ATOM 825 CB ALA A 52 -3.710 -0.889 -12.887 1.00 1.41 C ATOM 0 H ALA A 52 -5.146 -2.849 -13.990 1.00 1.32 H new ATOM 0 HA ALA A 52 -5.030 -1.524 -11.295 1.00 1.26 H new ATOM 0 HB1 ALA A 52 -3.549 0.103 -12.465 1.00 1.41 H new ATOM 0 HB2 ALA A 52 -2.897 -1.548 -12.583 1.00 1.41 H new ATOM 0 HB3 ALA A 52 -3.735 -0.821 -13.975 1.00 1.41 H new ATOM 831 N GLY A 53 -6.536 -0.629 -14.045 1.00 1.63 N ATOM 832 CA GLY A 53 -7.641 0.217 -14.591 1.00 2.02 C ATOM 833 C GLY A 53 -7.049 1.190 -15.600 1.00 2.06 C ATOM 834 O GLY A 53 -7.456 1.248 -16.746 1.00 2.44 O ATOM 0 H GLY A 53 -6.118 -1.276 -14.714 1.00 1.63 H new ATOM 0 HA2 GLY A 53 -8.397 -0.408 -15.066 1.00 2.02 H new ATOM 0 HA3 GLY A 53 -8.136 0.760 -13.786 1.00 2.02 H new ATOM 838 N LYS A 54 -6.082 1.930 -15.143 1.00 2.22 N ATOM 839 CA LYS A 54 -5.404 2.907 -16.024 1.00 2.48 C ATOM 840 C LYS A 54 -4.191 2.202 -16.652 1.00 2.46 C ATOM 841 O LYS A 54 -3.629 1.297 -16.067 1.00 2.92 O ATOM 842 CB LYS A 54 -4.933 4.078 -15.153 1.00 3.16 C ATOM 843 CG LYS A 54 -4.235 5.138 -16.015 1.00 4.42 C ATOM 844 CD LYS A 54 -3.324 5.990 -15.116 1.00 4.97 C ATOM 845 CE LYS A 54 -2.526 7.006 -15.950 1.00 6.34 C ATOM 846 NZ LYS A 54 -1.838 6.342 -17.096 1.00 7.37 N ATOM 0 H LYS A 54 -5.731 1.897 -14.186 1.00 2.22 H new ATOM 0 HA LYS A 54 -6.066 3.276 -16.807 1.00 2.48 H new ATOM 0 HB2 LYS A 54 -5.785 4.522 -14.638 1.00 3.16 H new ATOM 0 HB3 LYS A 54 -4.249 3.716 -14.385 1.00 3.16 H new ATOM 0 HG2 LYS A 54 -3.649 4.660 -16.800 1.00 4.42 H new ATOM 0 HG3 LYS A 54 -4.974 5.769 -16.509 1.00 4.42 H new ATOM 0 HD2 LYS A 54 -3.926 6.515 -14.374 1.00 4.97 H new ATOM 0 HD3 LYS A 54 -2.638 5.343 -14.569 1.00 4.97 H new ATOM 0 HE2 LYS A 54 -3.196 7.780 -16.324 1.00 6.34 H new ATOM 0 HE3 LYS A 54 -1.789 7.501 -15.317 1.00 6.34 H new ATOM 0 HZ1 LYS A 54 -0.908 6.784 -17.246 1.00 7.37 H new ATOM 0 HZ2 LYS A 54 -1.711 5.331 -16.886 1.00 7.37 H new ATOM 0 HZ3 LYS A 54 -2.414 6.448 -17.955 1.00 7.37 H new ATOM 860 N PRO A 55 -3.798 2.634 -17.829 1.00 2.79 N ATOM 861 CA PRO A 55 -2.428 2.391 -18.323 1.00 2.94 C ATOM 862 C PRO A 55 -1.394 3.045 -17.397 1.00 2.48 C ATOM 863 O PRO A 55 -0.891 4.110 -17.688 1.00 3.05 O ATOM 864 CB PRO A 55 -2.420 2.993 -19.736 1.00 4.06 C ATOM 865 CG PRO A 55 -3.902 3.119 -20.146 1.00 4.65 C ATOM 866 CD PRO A 55 -4.690 3.267 -18.835 1.00 3.77 C ATOM 0 HA PRO A 55 -2.161 1.335 -18.342 1.00 2.94 H new ATOM 0 HB2 PRO A 55 -1.928 3.965 -19.744 1.00 4.06 H new ATOM 0 HB3 PRO A 55 -1.875 2.354 -20.431 1.00 4.06 H new ATOM 0 HG2 PRO A 55 -4.056 3.982 -20.794 1.00 4.65 H new ATOM 0 HG3 PRO A 55 -4.230 2.240 -20.702 1.00 4.65 H new ATOM 0 HD2 PRO A 55 -4.885 4.313 -18.598 1.00 3.77 H new ATOM 0 HD3 PRO A 55 -5.657 2.766 -18.888 1.00 3.77 H new ATOM 874 N VAL A 56 -1.162 2.449 -16.260 1.00 2.75 N ATOM 875 CA VAL A 56 -0.147 3.017 -15.319 1.00 3.25 C ATOM 876 C VAL A 56 1.251 2.808 -15.924 1.00 2.60 C ATOM 877 O VAL A 56 1.934 1.846 -15.647 1.00 3.63 O ATOM 878 CB VAL A 56 -0.248 2.348 -13.924 1.00 5.29 C ATOM 879 CG1 VAL A 56 -1.252 3.124 -13.056 1.00 6.48 C ATOM 880 CG2 VAL A 56 -0.729 0.892 -14.027 1.00 6.34 C ATOM 0 H VAL A 56 -1.626 1.599 -15.940 1.00 2.75 H new ATOM 0 HA VAL A 56 -0.333 4.082 -15.181 1.00 3.25 H new ATOM 0 HB VAL A 56 0.747 2.360 -13.480 1.00 5.29 H new ATOM 0 HG11 VAL A 56 -1.324 2.654 -12.075 1.00 6.48 H new ATOM 0 HG12 VAL A 56 -0.914 4.154 -12.942 1.00 6.48 H new ATOM 0 HG13 VAL A 56 -2.231 3.114 -13.535 1.00 6.48 H new ATOM 0 HG21 VAL A 56 -0.787 0.457 -13.029 1.00 6.34 H new ATOM 0 HG22 VAL A 56 -1.714 0.866 -14.492 1.00 6.34 H new ATOM 0 HG23 VAL A 56 -0.027 0.319 -14.633 1.00 6.34 H new ATOM 890 N GLU A 57 1.592 3.713 -16.806 1.00 2.28 N ATOM 891 CA GLU A 57 2.909 3.682 -17.502 1.00 3.32 C ATOM 892 C GLU A 57 4.067 3.529 -16.510 1.00 2.96 C ATOM 893 O GLU A 57 5.074 2.924 -16.824 1.00 3.56 O ATOM 894 CB GLU A 57 3.059 4.988 -18.316 1.00 4.91 C ATOM 895 CG GLU A 57 3.232 6.227 -17.403 1.00 5.35 C ATOM 896 CD GLU A 57 2.095 6.345 -16.381 1.00 5.18 C ATOM 897 OE1 GLU A 57 0.958 6.418 -16.820 1.00 5.50 O ATOM 898 OE2 GLU A 57 2.428 6.339 -15.210 1.00 5.50 O ATOM 0 H GLU A 57 0.993 4.493 -17.078 1.00 2.28 H new ATOM 0 HA GLU A 57 2.944 2.818 -18.166 1.00 3.32 H new ATOM 0 HB2 GLU A 57 3.920 4.904 -18.980 1.00 4.91 H new ATOM 0 HB3 GLU A 57 2.181 5.124 -18.948 1.00 4.91 H new ATOM 0 HG2 GLU A 57 4.186 6.162 -16.880 1.00 5.35 H new ATOM 0 HG3 GLU A 57 3.265 7.128 -18.016 1.00 5.35 H new ATOM 905 N THR A 58 3.882 4.069 -15.338 1.00 2.71 N ATOM 906 CA THR A 58 4.943 3.999 -14.291 1.00 3.07 C ATOM 907 C THR A 58 4.708 2.801 -13.356 1.00 2.52 C ATOM 908 O THR A 58 3.669 2.169 -13.388 1.00 2.69 O ATOM 909 CB THR A 58 4.881 5.316 -13.494 1.00 4.02 C ATOM 910 OG1 THR A 58 5.156 6.346 -14.433 1.00 5.16 O ATOM 911 CG2 THR A 58 6.002 5.453 -12.461 1.00 4.86 C ATOM 0 H THR A 58 3.034 4.561 -15.057 1.00 2.71 H new ATOM 0 HA THR A 58 5.923 3.866 -14.750 1.00 3.07 H new ATOM 0 HB THR A 58 3.915 5.356 -12.991 1.00 4.02 H new ATOM 0 HG1 THR A 58 4.315 6.673 -14.816 1.00 5.16 H new ATOM 0 HG21 THR A 58 5.899 6.403 -11.936 1.00 4.86 H new ATOM 0 HG22 THR A 58 5.939 4.634 -11.745 1.00 4.86 H new ATOM 0 HG23 THR A 58 6.968 5.421 -12.966 1.00 4.86 H new ATOM 919 N VAL A 59 5.694 2.516 -12.545 1.00 2.24 N ATOM 920 CA VAL A 59 5.592 1.381 -11.581 1.00 1.96 C ATOM 921 C VAL A 59 5.654 1.974 -10.161 1.00 1.76 C ATOM 922 O VAL A 59 5.998 3.130 -9.996 1.00 1.98 O ATOM 923 CB VAL A 59 6.774 0.413 -11.878 1.00 2.28 C ATOM 924 CG1 VAL A 59 7.666 0.186 -10.641 1.00 2.46 C ATOM 925 CG2 VAL A 59 6.229 -0.942 -12.365 1.00 2.78 C ATOM 0 H VAL A 59 6.576 3.028 -12.510 1.00 2.24 H new ATOM 0 HA VAL A 59 4.662 0.820 -11.672 1.00 1.96 H new ATOM 0 HB VAL A 59 7.386 0.877 -12.652 1.00 2.28 H new ATOM 0 HG11 VAL A 59 8.477 -0.496 -10.897 1.00 2.46 H new ATOM 0 HG12 VAL A 59 8.083 1.138 -10.313 1.00 2.46 H new ATOM 0 HG13 VAL A 59 7.070 -0.245 -9.837 1.00 2.46 H new ATOM 0 HG21 VAL A 59 7.061 -1.616 -12.571 1.00 2.78 H new ATOM 0 HG22 VAL A 59 5.593 -1.377 -11.594 1.00 2.78 H new ATOM 0 HG23 VAL A 59 5.647 -0.794 -13.275 1.00 2.78 H new ATOM 935 N PRO A 60 5.304 1.201 -9.160 1.00 1.80 N ATOM 936 CA PRO A 60 4.512 -0.042 -9.274 1.00 2.01 C ATOM 937 C PRO A 60 3.027 0.276 -9.081 1.00 1.65 C ATOM 938 O PRO A 60 2.566 1.352 -9.425 1.00 1.77 O ATOM 939 CB PRO A 60 5.055 -0.882 -8.119 1.00 2.59 C ATOM 940 CG PRO A 60 5.500 0.133 -7.043 1.00 2.61 C ATOM 941 CD PRO A 60 5.780 1.452 -7.782 1.00 2.14 C ATOM 0 HA PRO A 60 4.591 -0.544 -10.238 1.00 2.01 H new ATOM 0 HB2 PRO A 60 4.291 -1.556 -7.731 1.00 2.59 H new ATOM 0 HB3 PRO A 60 5.891 -1.501 -8.444 1.00 2.59 H new ATOM 0 HG2 PRO A 60 4.723 0.267 -6.290 1.00 2.61 H new ATOM 0 HG3 PRO A 60 6.391 -0.218 -6.523 1.00 2.61 H new ATOM 0 HD2 PRO A 60 5.250 2.287 -7.323 1.00 2.14 H new ATOM 0 HD3 PRO A 60 6.841 1.701 -7.766 1.00 2.14 H new ATOM 949 N GLN A 61 2.301 -0.688 -8.580 1.00 1.33 N ATOM 950 CA GLN A 61 0.858 -0.455 -8.318 1.00 0.99 C ATOM 951 C GLN A 61 0.580 -0.749 -6.851 1.00 0.74 C ATOM 952 O GLN A 61 1.260 -1.557 -6.223 1.00 0.70 O ATOM 953 CB GLN A 61 -0.003 -1.370 -9.202 1.00 1.12 C ATOM 954 CG GLN A 61 0.286 -1.088 -10.685 1.00 1.51 C ATOM 955 CD GLN A 61 -0.608 -1.953 -11.587 1.00 2.82 C ATOM 956 OE1 GLN A 61 -0.518 -1.906 -12.796 1.00 3.37 O ATOM 957 NE2 GLN A 61 -1.487 -2.749 -11.058 1.00 4.30 N ATOM 0 H GLN A 61 2.645 -1.619 -8.344 1.00 1.33 H new ATOM 0 HA GLN A 61 0.608 0.580 -8.550 1.00 0.99 H new ATOM 0 HB2 GLN A 61 0.208 -2.415 -8.974 1.00 1.12 H new ATOM 0 HB3 GLN A 61 -1.060 -1.205 -8.991 1.00 1.12 H new ATOM 0 HG2 GLN A 61 0.115 -0.033 -10.900 1.00 1.51 H new ATOM 0 HG3 GLN A 61 1.335 -1.292 -10.901 1.00 1.51 H new ATOM 0 HE21 GLN A 61 -1.580 -2.804 -10.044 1.00 4.30 H new ATOM 0 HE22 GLN A 61 -2.085 -3.319 -11.657 1.00 4.30 H new ATOM 966 N ILE A 62 -0.447 -0.120 -6.366 1.00 0.75 N ATOM 967 CA ILE A 62 -0.838 -0.284 -4.941 1.00 0.63 C ATOM 968 C ILE A 62 -2.299 -0.646 -4.900 1.00 0.52 C ATOM 969 O ILE A 62 -3.079 -0.109 -5.662 1.00 0.55 O ATOM 970 CB ILE A 62 -0.637 1.043 -4.225 1.00 0.85 C ATOM 971 CG1 ILE A 62 0.842 1.406 -4.350 1.00 1.20 C ATOM 972 CG2 ILE A 62 -1.053 0.924 -2.742 1.00 0.90 C ATOM 973 CD1 ILE A 62 1.100 2.657 -3.546 1.00 1.12 C ATOM 0 H ILE A 62 -1.042 0.511 -6.903 1.00 0.75 H new ATOM 0 HA ILE A 62 -0.239 -1.058 -4.461 1.00 0.63 H new ATOM 0 HB ILE A 62 -1.256 1.821 -4.671 1.00 0.85 H new ATOM 0 HG12 ILE A 62 1.464 0.588 -3.987 1.00 1.20 H new ATOM 0 HG13 ILE A 62 1.105 1.567 -5.395 1.00 1.20 H new ATOM 0 HG21 ILE A 62 -0.903 1.882 -2.244 1.00 0.90 H new ATOM 0 HG22 ILE A 62 -2.105 0.644 -2.680 1.00 0.90 H new ATOM 0 HG23 ILE A 62 -0.445 0.162 -2.254 1.00 0.90 H new ATOM 0 HD11 ILE A 62 2.152 2.930 -3.625 1.00 1.12 H new ATOM 0 HD12 ILE A 62 0.485 3.470 -3.931 1.00 1.12 H new ATOM 0 HD13 ILE A 62 0.850 2.476 -2.501 1.00 1.12 H new ATOM 985 N PHE A 63 -2.631 -1.501 -3.998 1.00 0.48 N ATOM 986 CA PHE A 63 -4.042 -1.945 -3.865 1.00 0.54 C ATOM 987 C PHE A 63 -4.384 -1.931 -2.387 1.00 0.60 C ATOM 988 O PHE A 63 -3.696 -2.582 -1.619 1.00 0.57 O ATOM 989 CB PHE A 63 -4.165 -3.373 -4.414 1.00 0.61 C ATOM 990 CG PHE A 63 -3.963 -3.374 -5.938 1.00 0.64 C ATOM 991 CD1 PHE A 63 -5.039 -3.194 -6.784 1.00 0.86 C ATOM 992 CD2 PHE A 63 -2.703 -3.532 -6.484 1.00 0.82 C ATOM 993 CE1 PHE A 63 -4.865 -3.167 -8.149 1.00 0.97 C ATOM 994 CE2 PHE A 63 -2.525 -3.511 -7.853 1.00 0.96 C ATOM 995 CZ PHE A 63 -3.611 -3.326 -8.688 1.00 0.93 C ATOM 0 H PHE A 63 -1.982 -1.923 -3.333 1.00 0.48 H new ATOM 0 HA PHE A 63 -4.718 -1.292 -4.418 1.00 0.54 H new ATOM 0 HB2 PHE A 63 -3.424 -4.018 -3.941 1.00 0.61 H new ATOM 0 HB3 PHE A 63 -5.145 -3.782 -4.169 1.00 0.61 H new ATOM 0 HD1 PHE A 63 -6.029 -3.073 -6.370 1.00 0.86 H new ATOM 0 HD2 PHE A 63 -1.851 -3.673 -5.835 1.00 0.82 H new ATOM 0 HE1 PHE A 63 -5.716 -3.021 -8.798 1.00 0.97 H new ATOM 0 HE2 PHE A 63 -1.538 -3.639 -8.271 1.00 0.96 H new ATOM 0 HZ PHE A 63 -3.475 -3.307 -9.759 1.00 0.93 H new ATOM 1005 N VAL A 64 -5.395 -1.200 -1.993 1.00 0.78 N ATOM 1006 CA VAL A 64 -5.727 -1.200 -0.542 1.00 0.94 C ATOM 1007 C VAL A 64 -6.996 -2.004 -0.314 1.00 1.10 C ATOM 1008 O VAL A 64 -8.088 -1.531 -0.583 1.00 1.71 O ATOM 1009 CB VAL A 64 -5.922 0.227 -0.006 1.00 1.19 C ATOM 1010 CG1 VAL A 64 -6.232 0.122 1.504 1.00 1.53 C ATOM 1011 CG2 VAL A 64 -4.629 1.031 -0.204 1.00 1.15 C ATOM 0 H VAL A 64 -5.986 -0.622 -2.591 1.00 0.78 H new ATOM 0 HA VAL A 64 -4.893 -1.651 -0.005 1.00 0.94 H new ATOM 0 HB VAL A 64 -6.734 0.727 -0.534 1.00 1.19 H new ATOM 0 HG11 VAL A 64 -6.376 1.121 1.916 1.00 1.53 H new ATOM 0 HG12 VAL A 64 -7.139 -0.465 1.649 1.00 1.53 H new ATOM 0 HG13 VAL A 64 -5.400 -0.364 2.013 1.00 1.53 H new ATOM 0 HG21 VAL A 64 -4.768 2.043 0.176 1.00 1.15 H new ATOM 0 HG22 VAL A 64 -3.814 0.549 0.336 1.00 1.15 H new ATOM 0 HG23 VAL A 64 -4.385 1.073 -1.266 1.00 1.15 H new ATOM 1021 N ASP A 65 -6.803 -3.241 0.061 1.00 1.00 N ATOM 1022 CA ASP A 65 -7.951 -4.141 0.372 1.00 1.15 C ATOM 1023 C ASP A 65 -8.596 -4.735 -0.873 1.00 1.17 C ATOM 1024 O ASP A 65 -8.536 -5.930 -1.081 1.00 1.58 O ATOM 1025 CB ASP A 65 -9.025 -3.363 1.169 1.00 1.43 C ATOM 1026 CG ASP A 65 -9.922 -4.302 1.972 1.00 1.47 C ATOM 1027 OD1 ASP A 65 -9.422 -5.340 2.377 1.00 2.51 O ATOM 1028 OD2 ASP A 65 -11.033 -3.878 2.237 1.00 2.27 O ATOM 0 H ASP A 65 -5.884 -3.672 0.166 1.00 1.00 H new ATOM 0 HA ASP A 65 -7.550 -4.966 0.961 1.00 1.15 H new ATOM 0 HB2 ASP A 65 -8.538 -2.659 1.844 1.00 1.43 H new ATOM 0 HB3 ASP A 65 -9.635 -2.776 0.482 1.00 1.43 H new ATOM 1033 N GLN A 66 -9.178 -3.899 -1.689 1.00 1.38 N ATOM 1034 CA GLN A 66 -9.869 -4.455 -2.894 1.00 1.58 C ATOM 1035 C GLN A 66 -9.723 -3.650 -4.192 1.00 1.31 C ATOM 1036 O GLN A 66 -9.768 -4.238 -5.253 1.00 1.43 O ATOM 1037 CB GLN A 66 -11.355 -4.624 -2.542 1.00 2.21 C ATOM 1038 CG GLN A 66 -11.919 -3.320 -1.960 1.00 3.99 C ATOM 1039 CD GLN A 66 -13.294 -3.596 -1.352 1.00 4.90 C ATOM 1040 OE1 GLN A 66 -14.282 -3.708 -2.050 1.00 5.30 O ATOM 1041 NE2 GLN A 66 -13.400 -3.734 -0.064 1.00 5.78 N ATOM 0 H GLN A 66 -9.208 -2.885 -1.583 1.00 1.38 H new ATOM 0 HA GLN A 66 -9.376 -5.400 -3.121 1.00 1.58 H new ATOM 0 HB2 GLN A 66 -11.917 -4.905 -3.433 1.00 2.21 H new ATOM 0 HB3 GLN A 66 -11.475 -5.433 -1.821 1.00 2.21 H new ATOM 0 HG2 GLN A 66 -11.245 -2.925 -1.200 1.00 3.99 H new ATOM 0 HG3 GLN A 66 -11.998 -2.563 -2.741 1.00 3.99 H new ATOM 0 HE21 GLN A 66 -12.575 -3.641 0.528 1.00 5.78 H new ATOM 0 HE22 GLN A 66 -14.308 -3.935 0.354 1.00 5.78 H new ATOM 1050 N GLN A 67 -9.569 -2.355 -4.128 1.00 1.18 N ATOM 1051 CA GLN A 67 -9.457 -1.580 -5.393 1.00 1.11 C ATOM 1052 C GLN A 67 -7.996 -1.241 -5.725 1.00 0.86 C ATOM 1053 O GLN A 67 -7.078 -1.699 -5.063 1.00 0.75 O ATOM 1054 CB GLN A 67 -10.310 -0.310 -5.225 1.00 1.48 C ATOM 1055 CG GLN A 67 -9.590 0.799 -4.436 1.00 2.36 C ATOM 1056 CD GLN A 67 -9.063 0.257 -3.108 1.00 3.72 C ATOM 1057 OE1 GLN A 67 -7.889 -0.030 -2.973 1.00 5.31 O ATOM 1058 NE2 GLN A 67 -9.875 0.065 -2.119 1.00 4.24 N ATOM 0 H GLN A 67 -9.517 -1.809 -3.268 1.00 1.18 H new ATOM 0 HA GLN A 67 -9.820 -2.173 -6.232 1.00 1.11 H new ATOM 0 HB2 GLN A 67 -10.583 0.071 -6.209 1.00 1.48 H new ATOM 0 HB3 GLN A 67 -11.238 -0.567 -4.715 1.00 1.48 H new ATOM 0 HG2 GLN A 67 -8.764 1.196 -5.027 1.00 2.36 H new ATOM 0 HG3 GLN A 67 -10.276 1.626 -4.251 1.00 2.36 H new ATOM 0 HE21 GLN A 67 -10.863 0.301 -2.217 1.00 4.24 H new ATOM 0 HE22 GLN A 67 -9.528 -0.322 -1.242 1.00 4.24 H new ATOM 1067 N HIS A 68 -7.820 -0.471 -6.770 1.00 1.14 N ATOM 1068 CA HIS A 68 -6.449 -0.066 -7.193 1.00 0.96 C ATOM 1069 C HIS A 68 -6.233 1.382 -6.752 1.00 1.04 C ATOM 1070 O HIS A 68 -7.120 2.206 -6.889 1.00 1.31 O ATOM 1071 CB HIS A 68 -6.317 -0.144 -8.717 1.00 1.05 C ATOM 1072 CG HIS A 68 -4.908 0.210 -9.198 1.00 1.04 C ATOM 1073 ND1 HIS A 68 -4.716 0.910 -10.278 1.00 1.34 N ATOM 1074 CD2 HIS A 68 -3.671 -0.018 -8.650 1.00 1.13 C ATOM 1075 CE1 HIS A 68 -3.422 1.138 -10.399 1.00 1.57 C ATOM 1076 NE2 HIS A 68 -2.794 0.565 -9.405 1.00 1.43 N ATOM 0 H HIS A 68 -8.574 -0.104 -7.351 1.00 1.14 H new ATOM 0 HA HIS A 68 -5.712 -0.731 -6.743 1.00 0.96 H new ATOM 0 HB2 HIS A 68 -6.570 -1.151 -9.050 1.00 1.05 H new ATOM 0 HB3 HIS A 68 -7.036 0.534 -9.177 1.00 1.05 H new ATOM 0 HD1 HIS A 68 -5.441 1.228 -10.921 1.00 1.34 H new ATOM 0 HD2 HIS A 68 -3.465 -0.581 -7.752 1.00 1.13 H new ATOM 0 HE1 HIS A 68 -2.957 1.706 -11.191 1.00 1.57 H new ATOM 1084 N ILE A 69 -5.062 1.649 -6.257 1.00 0.94 N ATOM 1085 CA ILE A 69 -4.725 3.021 -5.775 1.00 1.25 C ATOM 1086 C ILE A 69 -3.480 3.549 -6.522 1.00 1.65 C ATOM 1087 O ILE A 69 -3.429 4.703 -6.891 1.00 2.10 O ATOM 1088 CB ILE A 69 -4.482 2.922 -4.251 1.00 1.02 C ATOM 1089 CG1 ILE A 69 -5.646 2.166 -3.561 1.00 0.89 C ATOM 1090 CG2 ILE A 69 -4.384 4.318 -3.632 1.00 1.39 C ATOM 1091 CD1 ILE A 69 -6.965 2.950 -3.671 1.00 1.44 C ATOM 0 H ILE A 69 -4.309 0.967 -6.163 1.00 0.94 H new ATOM 0 HA ILE A 69 -5.534 3.725 -5.971 1.00 1.25 H new ATOM 0 HB ILE A 69 -3.548 2.381 -4.101 1.00 1.02 H new ATOM 0 HG12 ILE A 69 -5.765 1.183 -4.017 1.00 0.89 H new ATOM 0 HG13 ILE A 69 -5.404 2.002 -2.511 1.00 0.89 H new ATOM 0 HG21 ILE A 69 -4.213 4.229 -2.559 1.00 1.39 H new ATOM 0 HG22 ILE A 69 -3.556 4.861 -4.088 1.00 1.39 H new ATOM 0 HG23 ILE A 69 -5.313 4.860 -3.808 1.00 1.39 H new ATOM 0 HD11 ILE A 69 -7.761 2.393 -3.177 1.00 1.44 H new ATOM 0 HD12 ILE A 69 -6.851 3.922 -3.192 1.00 1.44 H new ATOM 0 HD13 ILE A 69 -7.218 3.091 -4.722 1.00 1.44 H new ATOM 1103 N GLY A 70 -2.513 2.684 -6.723 1.00 1.63 N ATOM 1104 CA GLY A 70 -1.255 3.078 -7.457 1.00 2.18 C ATOM 1105 C GLY A 70 -0.536 4.333 -6.904 1.00 1.67 C ATOM 1106 O GLY A 70 -0.918 4.907 -5.907 1.00 2.86 O ATOM 0 H GLY A 70 -2.537 1.714 -6.410 1.00 1.63 H new ATOM 0 HA2 GLY A 70 -0.560 2.239 -7.430 1.00 2.18 H new ATOM 0 HA3 GLY A 70 -1.504 3.253 -8.504 1.00 2.18 H new ATOM 1110 N GLY A 71 0.513 4.701 -7.611 1.00 1.62 N ATOM 1111 CA GLY A 71 1.358 5.902 -7.270 1.00 1.69 C ATOM 1112 C GLY A 71 1.546 6.121 -5.767 1.00 1.43 C ATOM 1113 O GLY A 71 1.467 5.205 -4.976 1.00 1.86 O ATOM 0 H GLY A 71 0.830 4.200 -8.441 1.00 1.62 H new ATOM 0 HA2 GLY A 71 2.337 5.790 -7.736 1.00 1.69 H new ATOM 0 HA3 GLY A 71 0.899 6.791 -7.702 1.00 1.69 H new ATOM 1117 N TYR A 72 1.911 7.325 -5.415 1.00 1.73 N ATOM 1118 CA TYR A 72 2.098 7.637 -3.966 1.00 1.51 C ATOM 1119 C TYR A 72 1.166 8.777 -3.605 1.00 1.40 C ATOM 1120 O TYR A 72 0.371 8.648 -2.717 1.00 1.31 O ATOM 1121 CB TYR A 72 3.543 8.046 -3.648 1.00 1.73 C ATOM 1122 CG TYR A 72 3.660 8.277 -2.129 1.00 1.54 C ATOM 1123 CD1 TYR A 72 3.273 7.290 -1.241 1.00 1.26 C ATOM 1124 CD2 TYR A 72 4.151 9.465 -1.624 1.00 1.90 C ATOM 1125 CE1 TYR A 72 3.380 7.481 0.120 1.00 1.31 C ATOM 1126 CE2 TYR A 72 4.254 9.655 -0.258 1.00 1.92 C ATOM 1127 CZ TYR A 72 3.871 8.665 0.622 1.00 1.63 C ATOM 1128 OH TYR A 72 3.999 8.849 1.987 1.00 1.86 O ATOM 0 H TYR A 72 2.086 8.098 -6.058 1.00 1.73 H new ATOM 0 HA TYR A 72 1.875 6.742 -3.386 1.00 1.51 H new ATOM 0 HB2 TYR A 72 4.236 7.268 -3.968 1.00 1.73 H new ATOM 0 HB3 TYR A 72 3.809 8.953 -4.191 1.00 1.73 H new ATOM 0 HD1 TYR A 72 2.882 6.357 -1.619 1.00 1.26 H new ATOM 0 HD2 TYR A 72 4.456 10.250 -2.300 1.00 1.90 H new ATOM 0 HE1 TYR A 72 3.077 6.696 0.797 1.00 1.31 H new ATOM 0 HE2 TYR A 72 4.639 10.589 0.124 1.00 1.92 H new ATOM 0 HH TYR A 72 4.304 8.016 2.402 1.00 1.86 H new ATOM 1138 N THR A 73 1.332 9.878 -4.280 1.00 1.65 N ATOM 1139 CA THR A 73 0.462 11.068 -4.036 1.00 1.62 C ATOM 1140 C THR A 73 -0.979 10.624 -3.804 1.00 1.46 C ATOM 1141 O THR A 73 -1.640 11.027 -2.863 1.00 1.55 O ATOM 1142 CB THR A 73 0.528 11.933 -5.301 1.00 1.74 C ATOM 1143 OG1 THR A 73 0.440 10.981 -6.370 1.00 1.80 O ATOM 1144 CG2 THR A 73 1.907 12.579 -5.473 1.00 1.80 C ATOM 0 H THR A 73 2.042 10.009 -5.001 1.00 1.65 H new ATOM 0 HA THR A 73 0.798 11.618 -3.157 1.00 1.62 H new ATOM 0 HB THR A 73 -0.237 12.709 -5.269 1.00 1.74 H new ATOM 0 HG1 THR A 73 0.473 11.450 -7.230 1.00 1.80 H new ATOM 0 HG21 THR A 73 1.915 13.184 -6.380 1.00 1.80 H new ATOM 0 HG22 THR A 73 2.122 13.212 -4.612 1.00 1.80 H new ATOM 0 HG23 THR A 73 2.666 11.801 -5.549 1.00 1.80 H new ATOM 1152 N ASP A 74 -1.382 9.766 -4.686 1.00 1.35 N ATOM 1153 CA ASP A 74 -2.756 9.211 -4.653 1.00 1.17 C ATOM 1154 C ASP A 74 -2.917 8.383 -3.385 1.00 1.03 C ATOM 1155 O ASP A 74 -3.718 8.720 -2.568 1.00 1.02 O ATOM 1156 CB ASP A 74 -2.954 8.357 -5.909 1.00 1.29 C ATOM 1157 CG ASP A 74 -1.960 8.832 -6.969 1.00 2.16 C ATOM 1158 OD1 ASP A 74 -2.190 9.901 -7.511 1.00 3.25 O ATOM 1159 OD2 ASP A 74 -0.961 8.153 -7.088 1.00 2.81 O ATOM 0 H ASP A 74 -0.802 9.416 -5.449 1.00 1.35 H new ATOM 0 HA ASP A 74 -3.508 10.000 -4.642 1.00 1.17 H new ATOM 0 HB2 ASP A 74 -2.793 7.303 -5.682 1.00 1.29 H new ATOM 0 HB3 ASP A 74 -3.976 8.452 -6.276 1.00 1.29 H new ATOM 1164 N PHE A 75 -2.165 7.324 -3.240 1.00 0.99 N ATOM 1165 CA PHE A 75 -2.284 6.505 -1.984 1.00 0.93 C ATOM 1166 C PHE A 75 -2.341 7.435 -0.750 1.00 0.84 C ATOM 1167 O PHE A 75 -3.211 7.331 0.086 1.00 0.74 O ATOM 1168 CB PHE A 75 -1.061 5.568 -1.900 1.00 1.20 C ATOM 1169 CG PHE A 75 -1.160 4.549 -0.741 1.00 1.00 C ATOM 1170 CD1 PHE A 75 -2.354 4.302 -0.075 1.00 1.23 C ATOM 1171 CD2 PHE A 75 -0.031 3.834 -0.361 1.00 0.99 C ATOM 1172 CE1 PHE A 75 -2.415 3.366 0.940 1.00 1.05 C ATOM 1173 CE2 PHE A 75 -0.095 2.899 0.654 1.00 1.15 C ATOM 1174 CZ PHE A 75 -1.287 2.665 1.307 1.00 0.94 C ATOM 0 H PHE A 75 -1.483 6.990 -3.921 1.00 0.99 H new ATOM 0 HA PHE A 75 -3.200 5.914 -2.003 1.00 0.93 H new ATOM 0 HB2 PHE A 75 -0.957 5.030 -2.842 1.00 1.20 H new ATOM 0 HB3 PHE A 75 -0.159 6.167 -1.774 1.00 1.20 H new ATOM 0 HD1 PHE A 75 -3.244 4.847 -0.353 1.00 1.23 H new ATOM 0 HD2 PHE A 75 0.908 4.011 -0.865 1.00 0.99 H new ATOM 0 HE1 PHE A 75 -3.351 3.183 1.448 1.00 1.05 H new ATOM 0 HE2 PHE A 75 0.791 2.350 0.937 1.00 1.15 H new ATOM 0 HZ PHE A 75 -1.336 1.936 2.102 1.00 0.94 H new ATOM 1184 N ALA A 76 -1.411 8.343 -0.711 1.00 0.99 N ATOM 1185 CA ALA A 76 -1.300 9.336 0.398 1.00 1.06 C ATOM 1186 C ALA A 76 -2.597 10.139 0.577 1.00 1.01 C ATOM 1187 O ALA A 76 -3.277 10.024 1.585 1.00 0.95 O ATOM 1188 CB ALA A 76 -0.144 10.279 0.032 1.00 1.20 C ATOM 0 H ALA A 76 -0.694 8.444 -1.429 1.00 0.99 H new ATOM 0 HA ALA A 76 -1.119 8.821 1.342 1.00 1.06 H new ATOM 0 HB1 ALA A 76 -0.022 11.027 0.816 1.00 1.20 H new ATOM 0 HB2 ALA A 76 0.777 9.704 -0.067 1.00 1.20 H new ATOM 0 HB3 ALA A 76 -0.365 10.776 -0.913 1.00 1.20 H new ATOM 1194 N ALA A 77 -2.917 10.926 -0.418 1.00 1.14 N ATOM 1195 CA ALA A 77 -4.155 11.757 -0.349 1.00 1.15 C ATOM 1196 C ALA A 77 -5.349 10.843 -0.136 1.00 1.03 C ATOM 1197 O ALA A 77 -6.129 11.037 0.770 1.00 1.04 O ATOM 1198 CB ALA A 77 -4.322 12.526 -1.662 1.00 1.30 C ATOM 0 H ALA A 77 -2.374 11.029 -1.275 1.00 1.14 H new ATOM 0 HA ALA A 77 -4.084 12.466 0.476 1.00 1.15 H new ATOM 0 HB1 ALA A 77 -5.225 13.134 -1.615 1.00 1.30 H new ATOM 0 HB2 ALA A 77 -3.458 13.172 -1.818 1.00 1.30 H new ATOM 0 HB3 ALA A 77 -4.402 11.821 -2.489 1.00 1.30 H new ATOM 1204 N TRP A 78 -5.448 9.873 -0.993 1.00 1.04 N ATOM 1205 CA TRP A 78 -6.556 8.880 -0.908 1.00 1.03 C ATOM 1206 C TRP A 78 -6.729 8.430 0.546 1.00 0.92 C ATOM 1207 O TRP A 78 -7.807 8.535 1.097 1.00 1.06 O ATOM 1208 CB TRP A 78 -6.187 7.675 -1.789 1.00 1.20 C ATOM 1209 CG TRP A 78 -7.126 6.487 -1.679 1.00 1.26 C ATOM 1210 CD1 TRP A 78 -8.304 6.322 -2.335 1.00 1.39 C ATOM 1211 CD2 TRP A 78 -7.079 5.443 -0.797 1.00 1.26 C ATOM 1212 NE1 TRP A 78 -8.920 5.278 -1.880 1.00 1.45 N ATOM 1213 CE2 TRP A 78 -8.229 4.691 -0.925 1.00 1.38 C ATOM 1214 CE3 TRP A 78 -6.108 5.133 0.130 1.00 1.26 C ATOM 1215 CZ2 TRP A 78 -8.447 3.615 -0.100 1.00 1.46 C ATOM 1216 CZ3 TRP A 78 -6.338 4.042 0.953 1.00 1.37 C ATOM 1217 CH2 TRP A 78 -7.499 3.294 0.842 1.00 1.46 C ATOM 0 H TRP A 78 -4.798 9.720 -1.764 1.00 1.04 H new ATOM 0 HA TRP A 78 -7.492 9.322 -1.251 1.00 1.03 H new ATOM 0 HB2 TRP A 78 -6.157 8.000 -2.829 1.00 1.20 H new ATOM 0 HB3 TRP A 78 -5.180 7.348 -1.528 1.00 1.20 H new ATOM 0 HD1 TRP A 78 -8.672 6.966 -3.120 1.00 1.39 H new ATOM 0 HE1 TRP A 78 -9.825 4.952 -2.218 1.00 1.45 H new ATOM 0 HE3 TRP A 78 -5.203 5.717 0.212 1.00 1.26 H new ATOM 0 HZ2 TRP A 78 -9.350 3.030 -0.190 1.00 1.46 H new ATOM 0 HZ3 TRP A 78 -5.600 3.770 1.693 1.00 1.37 H new ATOM 0 HH2 TRP A 78 -7.660 2.453 1.500 1.00 1.46 H new ATOM 1228 N VAL A 79 -5.664 7.928 1.124 1.00 0.80 N ATOM 1229 CA VAL A 79 -5.726 7.480 2.545 1.00 0.86 C ATOM 1230 C VAL A 79 -6.390 8.582 3.355 1.00 1.01 C ATOM 1231 O VAL A 79 -7.452 8.386 3.914 1.00 1.33 O ATOM 1232 CB VAL A 79 -4.295 7.208 3.070 1.00 0.86 C ATOM 1233 CG1 VAL A 79 -4.230 7.339 4.598 1.00 1.13 C ATOM 1234 CG2 VAL A 79 -3.871 5.780 2.704 1.00 0.84 C ATOM 0 H VAL A 79 -4.757 7.811 0.671 1.00 0.80 H new ATOM 0 HA VAL A 79 -6.300 6.558 2.633 1.00 0.86 H new ATOM 0 HB VAL A 79 -3.632 7.942 2.612 1.00 0.86 H new ATOM 0 HG11 VAL A 79 -3.213 7.142 4.937 1.00 1.13 H new ATOM 0 HG12 VAL A 79 -4.521 8.348 4.889 1.00 1.13 H new ATOM 0 HG13 VAL A 79 -4.910 6.619 5.054 1.00 1.13 H new ATOM 0 HG21 VAL A 79 -2.863 5.593 3.075 1.00 0.84 H new ATOM 0 HG22 VAL A 79 -4.562 5.068 3.156 1.00 0.84 H new ATOM 0 HG23 VAL A 79 -3.886 5.662 1.620 1.00 0.84 H new ATOM 1244 N LYS A 80 -5.762 9.732 3.345 1.00 0.97 N ATOM 1245 CA LYS A 80 -6.311 10.895 4.103 1.00 1.18 C ATOM 1246 C LYS A 80 -7.820 11.070 3.835 1.00 1.29 C ATOM 1247 O LYS A 80 -8.599 11.198 4.748 1.00 1.81 O ATOM 1248 CB LYS A 80 -5.532 12.153 3.666 1.00 1.25 C ATOM 1249 CG LYS A 80 -5.548 13.242 4.762 1.00 1.55 C ATOM 1250 CD LYS A 80 -6.943 13.891 4.882 1.00 2.39 C ATOM 1251 CE LYS A 80 -7.689 13.356 6.118 1.00 2.61 C ATOM 1252 NZ LYS A 80 -9.160 13.335 5.882 1.00 3.16 N ATOM 0 H LYS A 80 -4.892 9.914 2.844 1.00 0.97 H new ATOM 0 HA LYS A 80 -6.194 10.729 5.174 1.00 1.18 H new ATOM 0 HB2 LYS A 80 -4.501 11.882 3.437 1.00 1.25 H new ATOM 0 HB3 LYS A 80 -5.968 12.552 2.750 1.00 1.25 H new ATOM 0 HG2 LYS A 80 -5.264 12.803 5.719 1.00 1.55 H new ATOM 0 HG3 LYS A 80 -4.807 14.007 4.530 1.00 1.55 H new ATOM 0 HD2 LYS A 80 -6.841 14.974 4.954 1.00 2.39 H new ATOM 0 HD3 LYS A 80 -7.524 13.685 3.983 1.00 2.39 H new ATOM 0 HE2 LYS A 80 -7.340 12.350 6.352 1.00 2.61 H new ATOM 0 HE3 LYS A 80 -7.464 13.981 6.982 1.00 2.61 H new ATOM 0 HZ1 LYS A 80 -9.654 13.657 6.739 1.00 3.16 H new ATOM 0 HZ2 LYS A 80 -9.393 13.967 5.089 1.00 3.16 H new ATOM 0 HZ3 LYS A 80 -9.461 12.366 5.653 1.00 3.16 H new ATOM 1266 N GLU A 81 -8.209 11.016 2.598 1.00 1.13 N ATOM 1267 CA GLU A 81 -9.652 11.221 2.256 1.00 1.27 C ATOM 1268 C GLU A 81 -10.458 9.923 2.122 1.00 1.43 C ATOM 1269 O GLU A 81 -11.491 9.909 1.484 1.00 2.18 O ATOM 1270 CB GLU A 81 -9.668 11.995 0.925 1.00 1.53 C ATOM 1271 CG GLU A 81 -8.912 13.333 1.084 1.00 2.03 C ATOM 1272 CD GLU A 81 -9.721 14.319 1.939 1.00 3.89 C ATOM 1273 OE1 GLU A 81 -9.596 14.222 3.161 1.00 5.21 O ATOM 1274 OE2 GLU A 81 -10.427 15.105 1.330 1.00 4.72 O ATOM 0 H GLU A 81 -7.596 10.839 1.803 1.00 1.13 H new ATOM 0 HA GLU A 81 -10.134 11.762 3.070 1.00 1.27 H new ATOM 0 HB2 GLU A 81 -9.204 11.396 0.141 1.00 1.53 H new ATOM 0 HB3 GLU A 81 -10.696 12.183 0.616 1.00 1.53 H new ATOM 0 HG2 GLU A 81 -7.942 13.155 1.547 1.00 2.03 H new ATOM 0 HG3 GLU A 81 -8.722 13.767 0.102 1.00 2.03 H new ATOM 1281 N ASN A 82 -9.976 8.866 2.703 1.00 1.15 N ATOM 1282 CA ASN A 82 -10.732 7.576 2.649 1.00 1.38 C ATOM 1283 C ASN A 82 -10.850 6.987 4.049 1.00 1.46 C ATOM 1284 O ASN A 82 -11.836 6.357 4.367 1.00 1.78 O ATOM 1285 CB ASN A 82 -10.026 6.566 1.728 1.00 1.42 C ATOM 1286 CG ASN A 82 -10.418 6.839 0.276 1.00 1.62 C ATOM 1287 OD1 ASN A 82 -11.020 6.016 -0.388 1.00 2.15 O ATOM 1288 ND2 ASN A 82 -10.095 7.976 -0.255 1.00 1.77 N ATOM 0 H ASN A 82 -9.094 8.832 3.214 1.00 1.15 H new ATOM 0 HA ASN A 82 -11.726 7.779 2.250 1.00 1.38 H new ATOM 0 HB2 ASN A 82 -8.945 6.645 1.845 1.00 1.42 H new ATOM 0 HB3 ASN A 82 -10.303 5.549 2.006 1.00 1.42 H new ATOM 0 HD21 ASN A 82 -10.345 8.176 -1.223 1.00 1.77 H new ATOM 0 HD22 ASN A 82 -9.590 8.671 0.295 1.00 1.77 H new ATOM 1295 N LEU A 83 -9.853 7.205 4.865 1.00 1.32 N ATOM 1296 CA LEU A 83 -9.922 6.628 6.235 1.00 1.60 C ATOM 1297 C LEU A 83 -10.448 7.646 7.256 1.00 2.01 C ATOM 1298 O LEU A 83 -10.054 7.631 8.409 1.00 1.77 O ATOM 1299 CB LEU A 83 -8.518 6.127 6.624 1.00 1.48 C ATOM 1300 CG LEU A 83 -7.941 5.250 5.493 1.00 1.11 C ATOM 1301 CD1 LEU A 83 -6.610 4.642 5.940 1.00 1.13 C ATOM 1302 CD2 LEU A 83 -8.913 4.109 5.160 1.00 1.22 C ATOM 0 H LEU A 83 -9.014 7.744 4.649 1.00 1.32 H new ATOM 0 HA LEU A 83 -10.627 5.796 6.238 1.00 1.60 H new ATOM 0 HB2 LEU A 83 -7.859 6.975 6.811 1.00 1.48 H new ATOM 0 HB3 LEU A 83 -8.570 5.554 7.550 1.00 1.48 H new ATOM 0 HG LEU A 83 -7.792 5.874 4.612 1.00 1.11 H new ATOM 0 HD11 LEU A 83 -6.205 4.023 5.139 1.00 1.13 H new ATOM 0 HD12 LEU A 83 -5.905 5.440 6.173 1.00 1.13 H new ATOM 0 HD13 LEU A 83 -6.770 4.029 6.827 1.00 1.13 H new ATOM 0 HD21 LEU A 83 -8.495 3.497 4.361 1.00 1.22 H new ATOM 0 HD22 LEU A 83 -9.068 3.493 6.046 1.00 1.22 H new ATOM 0 HD23 LEU A 83 -9.867 4.526 4.837 1.00 1.22 H new ATOM 1314 N ASP A 84 -11.328 8.511 6.801 1.00 2.82 N ATOM 1315 CA ASP A 84 -11.942 9.515 7.729 1.00 3.36 C ATOM 1316 C ASP A 84 -13.412 9.138 7.971 1.00 4.37 C ATOM 1317 O ASP A 84 -13.820 8.883 9.091 1.00 5.10 O ATOM 1318 CB ASP A 84 -11.876 10.926 7.110 1.00 4.26 C ATOM 1319 CG ASP A 84 -10.616 11.672 7.567 1.00 4.23 C ATOM 1320 OD1 ASP A 84 -9.550 11.106 7.416 1.00 3.96 O ATOM 1321 OD2 ASP A 84 -10.775 12.810 7.987 1.00 5.32 O ATOM 0 H ASP A 84 -11.645 8.564 5.833 1.00 2.82 H new ATOM 0 HA ASP A 84 -11.392 9.515 8.670 1.00 3.36 H new ATOM 0 HB2 ASP A 84 -11.883 10.850 6.023 1.00 4.26 H new ATOM 0 HB3 ASP A 84 -12.762 11.493 7.396 1.00 4.26 H new