USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 155:sc= 1.29 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.12 USER MOD Set 2.1: A 7 THR OG1 : rot 118:sc= 0.668 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.4 USER MOD Single : A 1 MET CE :methyl -176:sc= -0.467 (180deg=-0.516) USER MOD Single : A 1 MET N :NH3+ 180:sc= 1.27 (180deg=1.27) USER MOD Single : A 2 GLN : amide:sc= 0.00552 X(o=0.0055,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 1.19 (180deg=1.16) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= 1.67 (180deg=1.58) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.9 K(o=-0.9,f=-3.9!) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= -0.0907 (180deg=-0.403) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 41 GLN : amide:sc= 0.0405 K(o=0.041,f=-2.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.287 USER MOD Single : A 60 ASN : amide:sc= -0.239 K(o=-0.24,f=-1.3!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 1.13 (180deg=1.02) USER MOD Single : A 65 SER OG : rot -131:sc= 0.0894 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.250 -3.818 -4.001 1.00 0.78 N ATOM 2 CA MET A 1 12.960 -4.394 -2.669 1.00 0.70 C ATOM 3 C MET A 1 11.620 -5.025 -2.509 1.00 0.62 C ATOM 4 O MET A 1 10.702 -4.691 -3.257 1.00 0.68 O ATOM 5 CB MET A 1 13.306 -3.431 -1.520 1.00 0.75 C ATOM 6 CG MET A 1 12.296 -2.333 -1.182 1.00 0.79 C ATOM 7 SD MET A 1 12.750 -0.924 -0.126 1.00 1.10 S ATOM 8 CE MET A 1 11.122 -0.120 -0.195 1.00 0.84 C ATOM 0 H1 MET A 1 14.205 -3.407 -4.001 1.00 0.78 H new ATOM 0 H2 MET A 1 13.195 -4.566 -4.722 1.00 0.78 H new ATOM 0 H3 MET A 1 12.554 -3.076 -4.218 1.00 0.78 H new ATOM 0 HA MET A 1 13.644 -5.240 -2.603 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.467 -4.026 -0.621 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.255 -2.951 -1.759 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.946 -1.921 -2.128 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.442 -2.821 -0.711 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.163 0.832 0.335 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.847 0.056 -1.235 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.378 -0.764 0.274 1.00 0.84 H new ATOM 20 N GLN A 2 11.412 -5.952 -1.557 1.00 0.59 N ATOM 21 CA GLN A 2 10.204 -6.690 -1.350 1.00 0.56 C ATOM 22 C GLN A 2 9.411 -6.178 -0.198 1.00 0.50 C ATOM 23 O GLN A 2 10.023 -6.119 0.867 1.00 0.60 O ATOM 24 CB GLN A 2 10.610 -8.114 -0.935 1.00 0.71 C ATOM 25 CG GLN A 2 9.474 -9.137 -0.880 1.00 1.15 C ATOM 26 CD GLN A 2 10.087 -10.459 -0.438 1.00 1.30 C ATOM 27 OE1 GLN A 2 10.460 -11.252 -1.301 1.00 1.87 O ATOM 28 NE2 GLN A 2 10.093 -10.685 0.903 1.00 1.72 N ATOM 0 H GLN A 2 12.138 -6.203 -0.886 1.00 0.59 H new ATOM 0 HA GLN A 2 9.617 -6.622 -2.266 1.00 0.56 H new ATOM 0 HB2 GLN A 2 11.366 -8.475 -1.633 1.00 0.71 H new ATOM 0 HB3 GLN A 2 11.080 -8.067 0.047 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.701 -8.818 -0.181 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.999 -9.239 -1.856 1.00 1.15 H new ATOM 0 HE21 GLN A 2 9.763 -9.963 1.543 1.00 1.72 H new ATOM 0 HE22 GLN A 2 10.428 -11.576 1.268 1.00 1.72 H new ATOM 37 N ILE A 3 8.109 -5.853 -0.289 1.00 0.44 N ATOM 38 CA ILE A 3 7.355 -5.439 0.853 1.00 0.42 C ATOM 39 C ILE A 3 6.158 -6.315 0.997 1.00 0.40 C ATOM 40 O ILE A 3 5.932 -7.216 0.190 1.00 0.50 O ATOM 41 CB ILE A 3 6.932 -4.004 0.747 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.090 -3.659 -0.492 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.177 -3.106 0.854 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.268 -2.382 -0.319 1.00 0.72 C ATOM 0 H ILE A 3 7.576 -5.877 -1.158 1.00 0.44 H new ATOM 0 HA ILE A 3 7.991 -5.530 1.734 1.00 0.42 H new ATOM 0 HB ILE A 3 6.253 -3.818 1.579 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.749 -3.546 -1.353 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.419 -4.490 -0.711 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.879 -2.060 0.778 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.666 -3.275 1.813 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.869 -3.346 0.047 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.696 -2.192 -1.227 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.585 -2.500 0.522 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.936 -1.542 -0.129 1.00 0.72 H new ATOM 56 N PHE A 4 5.326 -6.167 2.043 1.00 0.37 N ATOM 57 CA PHE A 4 4.097 -6.894 2.122 1.00 0.38 C ATOM 58 C PHE A 4 2.931 -5.969 2.197 1.00 0.39 C ATOM 59 O PHE A 4 3.043 -4.830 2.645 1.00 0.60 O ATOM 60 CB PHE A 4 4.147 -8.005 3.184 1.00 0.45 C ATOM 61 CG PHE A 4 5.355 -8.874 3.102 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.628 -9.671 2.015 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.187 -8.897 4.196 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.709 -10.521 2.044 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.268 -9.748 4.206 1.00 1.40 C ATOM 66 CZ PHE A 4 7.598 -10.484 3.093 1.00 0.85 C ATOM 0 H PHE A 4 5.503 -5.546 2.832 1.00 0.37 H new ATOM 0 HA PHE A 4 3.949 -7.445 1.193 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.108 -7.549 4.173 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.258 -8.628 3.085 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.995 -9.630 1.141 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.994 -8.252 5.041 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.861 -11.223 1.237 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.866 -9.839 5.101 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.534 -11.021 3.043 1.00 0.85 H new ATOM 76 N VAL A 5 1.769 -6.447 1.716 1.00 0.35 N ATOM 77 CA VAL A 5 0.593 -5.651 1.890 1.00 0.35 C ATOM 78 C VAL A 5 -0.469 -6.596 2.334 1.00 0.35 C ATOM 79 O VAL A 5 -0.757 -7.583 1.659 1.00 0.46 O ATOM 80 CB VAL A 5 0.096 -4.910 0.684 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.226 -4.206 1.034 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.122 -3.903 0.137 1.00 0.56 C ATOM 0 H VAL A 5 1.643 -7.336 1.232 1.00 0.35 H new ATOM 0 HA VAL A 5 0.845 -4.863 2.600 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.067 -5.638 -0.111 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.593 -3.665 0.161 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -1.964 -4.948 1.338 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.059 -3.505 1.852 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.707 -3.398 -0.735 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.355 -3.167 0.906 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.032 -4.430 -0.149 1.00 0.56 H new ATOM 92 N LYS A 6 -1.068 -6.267 3.493 1.00 0.36 N ATOM 93 CA LYS A 6 -2.171 -6.989 4.049 1.00 0.39 C ATOM 94 C LYS A 6 -3.479 -6.283 3.943 1.00 0.46 C ATOM 95 O LYS A 6 -3.603 -5.108 4.285 1.00 0.53 O ATOM 96 CB LYS A 6 -1.920 -7.307 5.532 1.00 0.54 C ATOM 97 CG LYS A 6 -2.984 -8.047 6.346 1.00 1.22 C ATOM 98 CD LYS A 6 -2.472 -8.385 7.748 1.00 1.37 C ATOM 99 CE LYS A 6 -3.007 -9.664 8.395 1.00 1.93 C ATOM 100 NZ LYS A 6 -2.212 -10.150 9.546 1.00 2.09 N ATOM 0 H LYS A 6 -0.775 -5.473 4.062 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.238 -7.899 3.453 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.003 -7.894 5.587 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -1.724 -6.362 6.038 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -3.881 -7.432 6.422 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -3.269 -8.963 5.829 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -1.385 -8.457 7.703 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -2.709 -7.549 8.406 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -4.031 -9.488 8.725 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -3.046 -10.449 7.640 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -2.643 -11.018 9.924 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.240 -10.352 9.236 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -2.194 -9.421 10.288 1.00 2.09 H new ATOM 114 N THR A 7 -4.541 -6.985 3.507 1.00 0.58 N ATOM 115 CA THR A 7 -5.866 -6.473 3.335 1.00 0.78 C ATOM 116 C THR A 7 -6.720 -6.755 4.522 1.00 0.94 C ATOM 117 O THR A 7 -6.372 -7.545 5.398 1.00 0.99 O ATOM 118 CB THR A 7 -6.471 -6.965 2.053 1.00 0.90 C ATOM 119 OG1 THR A 7 -7.039 -8.263 2.141 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.338 -6.957 1.014 1.00 0.92 C ATOM 0 H THR A 7 -4.469 -7.972 3.259 1.00 0.58 H new ATOM 0 HA THR A 7 -5.803 -5.388 3.257 1.00 0.78 H new ATOM 0 HB THR A 7 -7.302 -6.313 1.783 1.00 0.90 H new ATOM 0 HG1 THR A 7 -8.002 -8.212 1.964 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.721 -7.307 0.056 1.00 0.92 H new ATOM 0 HG22 THR A 7 -4.954 -5.943 0.902 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.535 -7.615 1.346 1.00 0.92 H new ATOM 128 N LEU A 8 -7.877 -6.077 4.620 1.00 1.17 N ATOM 129 CA LEU A 8 -8.836 -6.302 5.656 1.00 1.39 C ATOM 130 C LEU A 8 -9.636 -7.558 5.609 1.00 1.44 C ATOM 131 O LEU A 8 -10.052 -8.084 6.639 1.00 1.60 O ATOM 132 CB LEU A 8 -9.684 -5.043 5.904 1.00 1.66 C ATOM 133 CG LEU A 8 -9.050 -3.685 6.253 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.146 -2.610 6.151 1.00 2.53 C ATOM 135 CD2 LEU A 8 -8.430 -3.711 7.660 1.00 2.43 C ATOM 0 H LEU A 8 -8.154 -5.351 3.959 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.220 -6.498 6.534 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.285 -4.888 5.008 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.374 -5.284 6.712 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.242 -3.460 5.556 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -9.723 -1.635 6.394 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -10.543 -2.591 5.136 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -10.949 -2.842 6.851 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -7.989 -2.739 7.881 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -9.204 -3.934 8.395 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -7.657 -4.478 7.703 1.00 2.43 H new ATOM 147 N THR A 9 -9.844 -8.061 4.378 1.00 1.41 N ATOM 148 CA THR A 9 -10.583 -9.239 4.048 1.00 1.51 C ATOM 149 C THR A 9 -9.755 -10.438 4.362 1.00 1.37 C ATOM 150 O THR A 9 -10.327 -11.417 4.838 1.00 1.62 O ATOM 151 CB THR A 9 -10.963 -9.230 2.597 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.964 -8.774 1.696 1.00 1.89 O ATOM 153 CG2 THR A 9 -12.120 -8.230 2.438 1.00 2.08 C ATOM 0 H THR A 9 -9.464 -7.605 3.549 1.00 1.41 H new ATOM 0 HA THR A 9 -11.500 -9.268 4.637 1.00 1.51 H new ATOM 0 HB THR A 9 -11.183 -10.269 2.350 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.310 -8.809 0.780 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.428 -8.193 1.393 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.962 -8.547 3.053 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.792 -7.240 2.755 1.00 2.08 H new ATOM 161 N GLY A 10 -8.413 -10.358 4.346 1.00 1.18 N ATOM 162 CA GLY A 10 -7.439 -11.279 4.843 1.00 1.22 C ATOM 163 C GLY A 10 -6.532 -11.854 3.809 1.00 0.99 C ATOM 164 O GLY A 10 -6.271 -13.053 3.904 1.00 1.31 O ATOM 0 H GLY A 10 -7.959 -9.544 3.932 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.834 -10.774 5.596 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.956 -12.096 5.346 1.00 1.22 H new ATOM 168 N LYS A 11 -5.974 -11.023 2.911 1.00 0.73 N ATOM 169 CA LYS A 11 -5.038 -11.302 1.866 1.00 0.60 C ATOM 170 C LYS A 11 -3.748 -10.683 2.279 1.00 0.51 C ATOM 171 O LYS A 11 -3.767 -9.494 2.595 1.00 0.63 O ATOM 172 CB LYS A 11 -5.429 -10.872 0.443 1.00 0.75 C ATOM 173 CG LYS A 11 -4.468 -11.250 -0.687 1.00 0.87 C ATOM 174 CD LYS A 11 -5.131 -10.927 -2.027 1.00 1.04 C ATOM 175 CE LYS A 11 -4.364 -11.569 -3.184 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.034 -11.471 -4.500 1.00 1.40 N ATOM 0 H LYS A 11 -6.212 -10.031 2.923 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.986 -12.386 1.766 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.405 -11.302 0.216 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.549 -9.789 0.438 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.532 -10.700 -0.587 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.221 -12.310 -0.634 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.160 -11.286 -2.024 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.171 -9.847 -2.167 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.382 -11.101 -3.256 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.199 -12.621 -2.953 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.358 -11.711 -5.253 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.836 -12.133 -4.531 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.380 -10.501 -4.642 1.00 1.40 H new ATOM 190 N THR A 12 -2.625 -11.415 2.155 1.00 0.49 N ATOM 191 CA THR A 12 -1.328 -10.826 2.274 1.00 0.48 C ATOM 192 C THR A 12 -0.601 -10.968 0.981 1.00 0.52 C ATOM 193 O THR A 12 -0.252 -12.071 0.564 1.00 0.72 O ATOM 194 CB THR A 12 -0.501 -11.410 3.381 1.00 0.64 C ATOM 195 OG1 THR A 12 -1.321 -11.449 4.540 1.00 0.77 O ATOM 196 CG2 THR A 12 0.743 -10.536 3.615 1.00 0.78 C ATOM 0 H THR A 12 -2.617 -12.418 1.972 1.00 0.49 H new ATOM 0 HA THR A 12 -1.482 -9.776 2.523 1.00 0.48 H new ATOM 0 HB THR A 12 -0.156 -12.414 3.133 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.813 -11.828 5.287 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.342 -10.963 4.420 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.337 -10.497 2.702 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.433 -9.528 3.889 1.00 0.78 H new ATOM 204 N ILE A 13 -0.463 -9.844 0.256 1.00 0.48 N ATOM 205 CA ILE A 13 0.208 -9.723 -1.001 1.00 0.55 C ATOM 206 C ILE A 13 1.676 -9.502 -0.883 1.00 0.51 C ATOM 207 O ILE A 13 2.081 -8.678 -0.065 1.00 0.56 O ATOM 208 CB ILE A 13 -0.340 -8.574 -1.796 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.841 -8.377 -1.527 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.131 -8.947 -3.272 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.568 -7.361 -2.406 1.00 1.55 C ATOM 0 H ILE A 13 -0.849 -8.955 0.573 1.00 0.48 H new ATOM 0 HA ILE A 13 0.034 -10.679 -1.495 1.00 0.55 H new ATOM 0 HB ILE A 13 0.162 -7.645 -1.526 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.336 -9.341 -1.641 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -1.964 -8.076 -0.487 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.511 -8.147 -3.907 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.932 -9.089 -3.464 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.666 -9.871 -3.493 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.618 -7.315 -2.117 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.113 -6.379 -2.279 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.492 -7.663 -3.450 1.00 1.55 H new ATOM 223 N THR A 14 2.495 -10.182 -1.706 1.00 0.55 N ATOM 224 CA THR A 14 3.913 -9.994 -1.727 1.00 0.54 C ATOM 225 C THR A 14 4.171 -9.022 -2.826 1.00 0.55 C ATOM 226 O THR A 14 3.950 -9.449 -3.958 1.00 0.72 O ATOM 227 CB THR A 14 4.738 -11.230 -1.926 1.00 0.67 C ATOM 228 OG1 THR A 14 4.394 -12.185 -0.934 1.00 1.08 O ATOM 229 CG2 THR A 14 6.250 -11.051 -1.709 1.00 1.03 C ATOM 0 H THR A 14 2.164 -10.879 -2.373 1.00 0.55 H new ATOM 0 HA THR A 14 4.221 -9.645 -0.742 1.00 0.54 H new ATOM 0 HB THR A 14 4.536 -11.514 -2.959 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.930 -12.996 -1.061 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.757 -12.001 -1.877 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.632 -10.308 -2.408 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.434 -10.717 -0.688 1.00 1.03 H new ATOM 237 N LEU A 15 4.713 -7.803 -2.657 1.00 0.50 N ATOM 238 CA LEU A 15 4.967 -6.922 -3.754 1.00 0.55 C ATOM 239 C LEU A 15 6.368 -6.415 -3.724 1.00 0.52 C ATOM 240 O LEU A 15 6.829 -6.129 -2.620 1.00 0.58 O ATOM 241 CB LEU A 15 3.989 -5.740 -3.863 1.00 0.69 C ATOM 242 CG LEU A 15 2.501 -6.115 -3.953 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.668 -4.851 -3.684 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.123 -6.750 -5.302 1.00 1.55 C ATOM 0 H LEU A 15 4.978 -7.424 -1.748 1.00 0.50 H new ATOM 0 HA LEU A 15 4.810 -7.533 -4.643 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.131 -5.094 -2.997 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.252 -5.154 -4.744 1.00 0.69 H new ATOM 0 HG LEU A 15 2.290 -6.877 -3.202 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.607 -5.095 -3.743 1.00 1.38 H new ATOM 0 HD12 LEU A 15 1.898 -4.469 -2.689 1.00 1.38 H new ATOM 0 HD13 LEU A 15 1.908 -4.092 -4.429 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.060 -6.993 -5.305 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.337 -6.047 -6.107 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.704 -7.660 -5.451 1.00 1.55 H new ATOM 256 N GLU A 16 7.065 -6.344 -4.872 1.00 0.59 N ATOM 257 CA GLU A 16 8.352 -5.755 -5.085 1.00 0.63 C ATOM 258 C GLU A 16 8.201 -4.395 -5.674 1.00 0.65 C ATOM 259 O GLU A 16 7.423 -4.062 -6.567 1.00 0.81 O ATOM 260 CB GLU A 16 9.339 -6.487 -6.009 1.00 0.76 C ATOM 261 CG GLU A 16 9.405 -7.907 -5.444 1.00 1.41 C ATOM 262 CD GLU A 16 10.535 -8.511 -6.267 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.675 -7.976 -6.241 1.00 1.95 O ATOM 264 OE2 GLU A 16 10.283 -9.545 -6.943 1.00 1.92 O ATOM 0 H GLU A 16 6.689 -6.738 -5.734 1.00 0.59 H new ATOM 0 HA GLU A 16 8.777 -5.785 -4.082 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.992 -6.486 -7.042 1.00 0.76 H new ATOM 0 HB3 GLU A 16 10.319 -6.010 -6.002 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.626 -7.914 -4.377 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.467 -8.446 -5.578 1.00 1.41 H new ATOM 271 N VAL A 17 8.882 -3.434 -5.025 1.00 0.61 N ATOM 272 CA VAL A 17 8.857 -2.026 -5.270 1.00 0.63 C ATOM 273 C VAL A 17 10.306 -1.681 -5.231 1.00 0.65 C ATOM 274 O VAL A 17 11.169 -2.548 -5.095 1.00 0.76 O ATOM 275 CB VAL A 17 8.232 -1.195 -4.189 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.757 -1.604 -4.047 1.00 0.96 C ATOM 277 CG2 VAL A 17 9.059 -1.280 -2.895 1.00 0.92 C ATOM 0 H VAL A 17 9.509 -3.668 -4.256 1.00 0.61 H new ATOM 0 HA VAL A 17 8.289 -1.828 -6.179 1.00 0.63 H new ATOM 0 HB VAL A 17 8.238 -0.136 -4.447 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.288 -1.008 -3.264 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.240 -1.434 -4.991 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.696 -2.660 -3.785 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.590 -0.671 -2.123 1.00 0.92 H new ATOM 0 HG22 VAL A 17 9.106 -2.316 -2.561 1.00 0.92 H new ATOM 0 HG23 VAL A 17 10.068 -0.913 -3.083 1.00 0.92 H new ATOM 287 N GLU A 18 10.668 -0.433 -5.574 1.00 0.68 N ATOM 288 CA GLU A 18 11.939 0.147 -5.269 1.00 0.74 C ATOM 289 C GLU A 18 11.613 1.306 -4.393 1.00 0.71 C ATOM 290 O GLU A 18 10.531 1.872 -4.539 1.00 0.74 O ATOM 291 CB GLU A 18 12.744 0.503 -6.531 1.00 0.88 C ATOM 292 CG GLU A 18 13.120 -0.763 -7.304 1.00 1.16 C ATOM 293 CD GLU A 18 14.388 -1.390 -6.746 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.456 -0.721 -6.710 1.00 2.33 O ATOM 295 OE2 GLU A 18 14.331 -2.624 -6.495 1.00 2.35 O ATOM 0 H GLU A 18 10.050 0.198 -6.085 1.00 0.68 H new ATOM 0 HA GLU A 18 12.609 -0.545 -4.759 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.157 1.164 -7.169 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.646 1.047 -6.252 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.302 -1.481 -7.251 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.264 -0.521 -8.357 1.00 1.16 H new ATOM 302 N PRO A 19 12.522 1.751 -3.576 1.00 0.74 N ATOM 303 CA PRO A 19 12.201 2.724 -2.573 1.00 0.74 C ATOM 304 C PRO A 19 11.980 4.113 -3.067 1.00 0.70 C ATOM 305 O PRO A 19 11.523 4.967 -2.309 1.00 0.74 O ATOM 306 CB PRO A 19 13.440 2.679 -1.682 1.00 0.86 C ATOM 307 CG PRO A 19 14.540 2.136 -2.607 1.00 0.95 C ATOM 308 CD PRO A 19 13.770 1.036 -3.355 1.00 0.82 C ATOM 0 HA PRO A 19 11.251 2.485 -2.094 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.692 3.668 -1.298 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.288 2.031 -0.819 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.928 2.900 -3.281 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.390 1.740 -2.051 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.256 0.738 -4.284 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.639 0.133 -2.759 1.00 0.82 H new ATOM 316 N SER A 20 12.235 4.390 -4.358 1.00 0.70 N ATOM 317 CA SER A 20 12.045 5.652 -5.005 1.00 0.74 C ATOM 318 C SER A 20 10.739 5.643 -5.722 1.00 0.71 C ATOM 319 O SER A 20 10.327 6.613 -6.355 1.00 0.80 O ATOM 320 CB SER A 20 13.082 6.046 -6.069 1.00 0.89 C ATOM 321 OG SER A 20 13.249 5.166 -7.172 1.00 1.45 O ATOM 0 H SER A 20 12.600 3.681 -4.994 1.00 0.70 H new ATOM 0 HA SER A 20 12.123 6.368 -4.187 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.810 7.027 -6.458 1.00 0.89 H new ATOM 0 HB3 SER A 20 14.048 6.155 -5.575 1.00 0.89 H new ATOM 0 HG SER A 20 13.931 5.525 -7.777 1.00 1.45 H new ATOM 327 N ASP A 21 9.980 4.533 -5.683 1.00 0.70 N ATOM 328 CA ASP A 21 8.660 4.479 -6.231 1.00 0.73 C ATOM 329 C ASP A 21 7.734 5.166 -5.288 1.00 0.64 C ATOM 330 O ASP A 21 8.070 5.251 -4.107 1.00 0.66 O ATOM 331 CB ASP A 21 8.207 3.037 -6.515 1.00 0.87 C ATOM 332 CG ASP A 21 9.079 2.319 -7.534 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.685 2.905 -8.469 1.00 1.69 O ATOM 334 OD2 ASP A 21 9.008 1.073 -7.361 1.00 1.50 O ATOM 0 H ASP A 21 10.289 3.656 -5.263 1.00 0.70 H new ATOM 0 HA ASP A 21 8.652 4.988 -7.195 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.211 2.473 -5.583 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.178 3.051 -6.874 1.00 0.87 H new ATOM 339 N THR A 22 6.670 5.785 -5.828 1.00 0.63 N ATOM 340 CA THR A 22 5.599 6.445 -5.149 1.00 0.58 C ATOM 341 C THR A 22 4.457 5.594 -4.713 1.00 0.53 C ATOM 342 O THR A 22 4.315 4.413 -5.025 1.00 0.58 O ATOM 343 CB THR A 22 4.980 7.605 -5.872 1.00 0.63 C ATOM 344 OG1 THR A 22 4.339 7.269 -7.094 1.00 0.70 O ATOM 345 CG2 THR A 22 5.981 8.750 -6.097 1.00 0.75 C ATOM 0 H THR A 22 6.550 5.826 -6.840 1.00 0.63 H new ATOM 0 HA THR A 22 6.162 6.785 -4.280 1.00 0.58 H new ATOM 0 HB THR A 22 4.194 7.945 -5.198 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.962 8.078 -7.499 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.487 9.567 -6.624 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.347 9.108 -5.135 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.819 8.389 -6.693 1.00 0.75 H new ATOM 353 N ILE A 23 3.591 6.108 -3.819 1.00 0.51 N ATOM 354 CA ILE A 23 2.485 5.361 -3.307 1.00 0.48 C ATOM 355 C ILE A 23 1.396 5.104 -4.291 1.00 0.48 C ATOM 356 O ILE A 23 0.697 4.092 -4.267 1.00 0.51 O ATOM 357 CB ILE A 23 1.947 5.889 -2.011 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.009 6.227 -0.951 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.785 5.166 -1.308 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.784 5.046 -0.368 1.00 0.73 C ATOM 0 H ILE A 23 3.660 7.055 -3.447 1.00 0.51 H new ATOM 0 HA ILE A 23 2.924 4.386 -3.093 1.00 0.48 H new ATOM 0 HB ILE A 23 1.506 6.792 -2.433 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.724 6.921 -1.393 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.519 6.753 -0.131 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.533 5.692 -0.387 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.084 5.149 -1.966 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.082 4.144 -1.072 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.502 5.409 0.367 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.090 4.357 0.113 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.314 4.528 -1.168 1.00 0.73 H new ATOM 372 N GLU A 24 1.272 6.038 -5.252 1.00 0.50 N ATOM 373 CA GLU A 24 0.464 5.842 -6.415 1.00 0.53 C ATOM 374 C GLU A 24 0.816 4.638 -7.220 1.00 0.50 C ATOM 375 O GLU A 24 -0.009 3.789 -7.551 1.00 0.55 O ATOM 376 CB GLU A 24 0.357 7.179 -7.168 1.00 0.64 C ATOM 377 CG GLU A 24 -0.406 7.142 -8.494 1.00 0.95 C ATOM 378 CD GLU A 24 -0.408 8.437 -9.294 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.334 9.420 -9.031 1.00 1.62 O ATOM 380 OE2 GLU A 24 -1.093 8.528 -10.347 1.00 1.56 O ATOM 0 H GLU A 24 1.740 6.944 -5.220 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.548 5.568 -6.116 1.00 0.53 H new ATOM 0 HB2 GLU A 24 -0.126 7.904 -6.513 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.365 7.546 -7.362 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.021 6.354 -9.115 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.439 6.862 -8.289 1.00 0.95 H new ATOM 387 N ASN A 25 2.113 4.413 -7.501 1.00 0.51 N ATOM 388 CA ASN A 25 2.685 3.333 -8.243 1.00 0.52 C ATOM 389 C ASN A 25 2.522 2.045 -7.513 1.00 0.47 C ATOM 390 O ASN A 25 2.141 1.039 -8.111 1.00 0.53 O ATOM 391 CB ASN A 25 4.179 3.553 -8.537 1.00 0.64 C ATOM 392 CG ASN A 25 4.662 2.486 -9.509 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.504 1.687 -9.102 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.391 2.532 -10.841 1.00 1.57 N ATOM 0 H ASN A 25 2.833 5.057 -7.173 1.00 0.51 H new ATOM 0 HA ASN A 25 2.150 3.294 -9.192 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.336 4.545 -8.960 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.754 3.506 -7.612 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.883 1.911 -11.483 1.00 1.57 H new ATOM 0 HD22 ASN A 25 3.696 3.188 -11.198 1.00 1.57 H new ATOM 401 N VAL A 26 2.634 2.023 -6.172 1.00 0.45 N ATOM 402 CA VAL A 26 2.450 0.826 -5.412 1.00 0.44 C ATOM 403 C VAL A 26 1.027 0.399 -5.512 1.00 0.40 C ATOM 404 O VAL A 26 0.694 -0.772 -5.692 1.00 0.44 O ATOM 405 CB VAL A 26 3.029 0.938 -4.033 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.774 -0.358 -3.245 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.511 1.328 -4.169 1.00 0.62 C ATOM 0 H VAL A 26 2.855 2.845 -5.609 1.00 0.45 H new ATOM 0 HA VAL A 26 3.029 0.005 -5.833 1.00 0.44 H new ATOM 0 HB VAL A 26 2.544 1.720 -3.449 1.00 0.50 H new ATOM 0 HG11 VAL A 26 3.199 -0.266 -2.245 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.701 -0.532 -3.169 1.00 0.60 H new ATOM 0 HG13 VAL A 26 3.242 -1.196 -3.762 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.956 1.416 -3.178 1.00 0.62 H new ATOM 0 HG22 VAL A 26 5.038 0.562 -4.737 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.590 2.283 -4.688 1.00 0.62 H new ATOM 417 N LYS A 27 0.127 1.380 -5.324 1.00 0.40 N ATOM 418 CA LYS A 27 -1.278 1.169 -5.494 1.00 0.41 C ATOM 419 C LYS A 27 -1.626 0.745 -6.879 1.00 0.38 C ATOM 420 O LYS A 27 -2.485 -0.124 -7.025 1.00 0.42 O ATOM 421 CB LYS A 27 -2.093 2.388 -5.030 1.00 0.51 C ATOM 422 CG LYS A 27 -1.969 2.544 -3.513 1.00 0.76 C ATOM 423 CD LYS A 27 -2.934 3.516 -2.830 1.00 0.82 C ATOM 424 CE LYS A 27 -2.910 4.933 -3.406 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.056 5.821 -3.106 1.00 1.11 N ATOM 0 H LYS A 27 0.376 2.331 -5.051 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.555 0.337 -4.847 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.734 3.289 -5.528 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.140 2.265 -5.308 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.102 1.561 -3.060 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -0.952 2.864 -3.288 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.947 3.121 -2.910 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -2.693 3.564 -1.768 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -2.004 5.424 -3.050 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.824 4.852 -4.490 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.069 6.612 -3.781 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.942 5.283 -3.186 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -3.963 6.193 -2.139 1.00 1.11 H new ATOM 439 N ALA A 28 -1.010 1.280 -7.948 1.00 0.39 N ATOM 440 CA ALA A 28 -1.305 0.777 -9.253 1.00 0.39 C ATOM 441 C ALA A 28 -0.907 -0.630 -9.541 1.00 0.36 C ATOM 442 O ALA A 28 -1.393 -1.253 -10.484 1.00 0.42 O ATOM 443 CB ALA A 28 -0.729 1.726 -10.318 1.00 0.51 C ATOM 0 H ALA A 28 -0.328 2.038 -7.914 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.394 0.745 -9.288 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.956 1.339 -11.311 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -1.174 2.714 -10.203 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.352 1.798 -10.195 1.00 0.51 H new ATOM 449 N LYS A 29 -0.039 -1.171 -8.668 1.00 0.39 N ATOM 450 CA LYS A 29 0.460 -2.511 -8.695 1.00 0.43 C ATOM 451 C LYS A 29 -0.419 -3.507 -8.019 1.00 0.44 C ATOM 452 O LYS A 29 -0.518 -4.654 -8.450 1.00 0.54 O ATOM 453 CB LYS A 29 1.875 -2.564 -8.093 1.00 0.54 C ATOM 454 CG LYS A 29 2.607 -3.882 -8.357 1.00 0.65 C ATOM 455 CD LYS A 29 4.013 -3.907 -7.755 1.00 1.08 C ATOM 456 CE LYS A 29 4.892 -2.752 -8.239 1.00 1.24 C ATOM 457 NZ LYS A 29 5.415 -3.050 -9.591 1.00 1.44 N ATOM 0 H LYS A 29 0.340 -0.633 -7.889 1.00 0.39 H new ATOM 0 HA LYS A 29 0.483 -2.796 -9.747 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.465 -1.743 -8.501 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.809 -2.405 -7.017 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.025 -4.705 -7.944 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.674 -4.047 -9.432 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.938 -3.868 -6.668 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.493 -4.852 -8.007 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.315 -1.828 -8.258 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.719 -2.597 -7.546 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.011 -2.262 -9.914 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.981 -3.922 -9.560 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 4.621 -3.176 -10.250 1.00 1.44 H new ATOM 471 N ILE A 30 -1.111 -3.096 -6.943 1.00 0.41 N ATOM 472 CA ILE A 30 -2.200 -3.687 -6.230 1.00 0.44 C ATOM 473 C ILE A 30 -3.371 -3.677 -7.151 1.00 0.45 C ATOM 474 O ILE A 30 -4.095 -4.645 -7.380 1.00 0.56 O ATOM 475 CB ILE A 30 -2.539 -2.958 -4.963 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.425 -2.939 -3.903 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.716 -3.671 -4.276 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.670 -2.011 -2.713 1.00 1.32 C ATOM 0 H ILE A 30 -0.861 -2.207 -6.510 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.921 -4.696 -5.926 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.741 -1.935 -5.281 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.285 -3.953 -3.529 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.492 -2.646 -4.385 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -3.970 -3.148 -3.354 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.579 -3.672 -4.942 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.434 -4.698 -4.045 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.827 -2.071 -2.025 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.777 -0.986 -3.067 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.581 -2.313 -2.197 1.00 1.32 H new ATOM 490 N GLN A 31 -3.656 -2.540 -7.812 1.00 0.41 N ATOM 491 CA GLN A 31 -4.667 -2.447 -8.818 1.00 0.48 C ATOM 492 C GLN A 31 -4.760 -3.450 -9.916 1.00 0.52 C ATOM 493 O GLN A 31 -5.811 -4.082 -10.003 1.00 0.66 O ATOM 494 CB GLN A 31 -4.650 -1.072 -9.506 1.00 0.52 C ATOM 495 CG GLN A 31 -5.594 -0.917 -10.700 1.00 0.70 C ATOM 496 CD GLN A 31 -5.586 0.557 -11.080 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.563 1.208 -10.879 1.00 1.70 O ATOM 498 NE2 GLN A 31 -6.738 1.036 -11.621 1.00 1.43 N ATOM 0 H GLN A 31 -3.169 -1.660 -7.641 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.531 -2.652 -8.185 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.902 -0.313 -8.766 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.633 -0.866 -9.841 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.264 -1.533 -11.536 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.601 -1.244 -10.441 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.538 0.416 -11.749 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -6.802 2.015 -11.899 1.00 1.43 H new ATOM 507 N ASP A 32 -3.701 -3.693 -10.710 1.00 0.50 N ATOM 508 CA ASP A 32 -3.415 -4.762 -11.617 1.00 0.60 C ATOM 509 C ASP A 32 -3.956 -6.072 -11.159 1.00 0.65 C ATOM 510 O ASP A 32 -4.862 -6.611 -11.793 1.00 0.81 O ATOM 511 CB ASP A 32 -1.879 -4.734 -11.691 1.00 0.67 C ATOM 512 CG ASP A 32 -1.471 -5.630 -12.852 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.979 -5.448 -13.990 1.00 1.55 O ATOM 514 OD2 ASP A 32 -0.541 -6.455 -12.652 1.00 1.51 O ATOM 0 H ASP A 32 -2.927 -3.029 -10.710 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.890 -4.638 -12.590 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.519 -3.717 -11.845 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.442 -5.089 -10.758 1.00 0.67 H new ATOM 519 N LYS A 33 -3.527 -6.551 -9.978 1.00 0.62 N ATOM 520 CA LYS A 33 -3.908 -7.774 -9.342 1.00 0.73 C ATOM 521 C LYS A 33 -5.313 -7.922 -8.871 1.00 0.69 C ATOM 522 O LYS A 33 -6.036 -8.861 -9.204 1.00 0.83 O ATOM 523 CB LYS A 33 -2.998 -8.130 -8.153 1.00 0.85 C ATOM 524 CG LYS A 33 -1.518 -8.251 -8.520 1.00 1.31 C ATOM 525 CD LYS A 33 -0.739 -8.980 -7.423 1.00 1.71 C ATOM 526 CE LYS A 33 0.708 -9.368 -7.734 1.00 2.26 C ATOM 527 NZ LYS A 33 0.761 -10.029 -9.057 1.00 2.62 N ATOM 0 H LYS A 33 -2.851 -6.032 -9.418 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.796 -8.459 -10.183 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -3.110 -7.368 -7.382 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -3.333 -9.073 -7.721 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.416 -8.789 -9.462 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -1.095 -7.258 -8.673 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.736 -8.349 -6.534 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -1.285 -9.888 -7.167 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.343 -8.482 -7.731 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.091 -10.038 -6.964 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 1.680 -10.502 -9.172 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 -0.002 -10.733 -9.124 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.642 -9.317 -9.806 1.00 2.62 H new ATOM 541 N GLU A 34 -5.816 -7.036 -7.994 1.00 0.63 N ATOM 542 CA GLU A 34 -7.048 -7.047 -7.269 1.00 0.67 C ATOM 543 C GLU A 34 -8.164 -6.527 -8.110 1.00 0.69 C ATOM 544 O GLU A 34 -9.205 -7.164 -8.261 1.00 0.95 O ATOM 545 CB GLU A 34 -6.821 -6.152 -6.039 1.00 0.73 C ATOM 546 CG GLU A 34 -5.774 -6.696 -5.064 1.00 0.83 C ATOM 547 CD GLU A 34 -6.185 -8.085 -4.598 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.960 -8.204 -3.611 1.00 1.48 O ATOM 549 OE2 GLU A 34 -5.855 -9.110 -5.252 1.00 1.37 O ATOM 0 H GLU A 34 -5.280 -6.198 -7.766 1.00 0.63 H new ATOM 0 HA GLU A 34 -7.329 -8.059 -6.976 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.512 -5.162 -6.374 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.767 -6.029 -5.511 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.798 -6.738 -5.548 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.677 -6.028 -4.208 1.00 0.83 H new ATOM 556 N GLY A 35 -7.951 -5.403 -8.817 1.00 0.63 N ATOM 557 CA GLY A 35 -8.847 -4.816 -9.764 1.00 0.68 C ATOM 558 C GLY A 35 -9.551 -3.692 -9.082 1.00 0.76 C ATOM 559 O GLY A 35 -10.766 -3.574 -9.235 1.00 1.12 O ATOM 0 H GLY A 35 -7.089 -4.866 -8.719 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -8.300 -4.453 -10.635 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.563 -5.555 -10.123 1.00 0.68 H new ATOM 563 N ILE A 36 -8.796 -2.832 -8.376 1.00 0.70 N ATOM 564 CA ILE A 36 -9.245 -1.818 -7.472 1.00 0.76 C ATOM 565 C ILE A 36 -8.758 -0.505 -7.981 1.00 0.71 C ATOM 566 O ILE A 36 -7.551 -0.359 -8.169 1.00 0.73 O ATOM 567 CB ILE A 36 -8.856 -1.985 -6.033 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.064 -3.398 -5.463 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.630 -0.976 -5.169 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.364 -3.731 -4.145 1.00 1.16 C ATOM 0 H ILE A 36 -7.779 -2.849 -8.445 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.332 -1.892 -7.455 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.782 -1.804 -6.001 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.134 -3.552 -5.325 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.732 -4.117 -6.212 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.346 -1.099 -4.124 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.393 0.037 -5.493 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.701 -1.150 -5.277 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.596 -4.757 -3.859 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.286 -3.623 -4.268 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.710 -3.050 -3.367 1.00 1.16 H new ATOM 582 N PRO A 37 -9.457 0.573 -8.173 1.00 0.75 N ATOM 583 CA PRO A 37 -8.870 1.816 -8.584 1.00 0.79 C ATOM 584 C PRO A 37 -8.096 2.466 -7.491 1.00 0.75 C ATOM 585 O PRO A 37 -8.628 2.282 -6.397 1.00 0.75 O ATOM 586 CB PRO A 37 -10.070 2.707 -8.897 1.00 0.95 C ATOM 587 CG PRO A 37 -11.282 1.793 -9.136 1.00 1.02 C ATOM 588 CD PRO A 37 -10.910 0.609 -8.230 1.00 0.85 C ATOM 0 HA PRO A 37 -8.182 1.659 -9.415 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.264 3.391 -8.071 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.873 3.318 -9.778 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.221 2.262 -8.843 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.384 1.501 -10.181 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.334 0.735 -7.234 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.306 -0.325 -8.630 1.00 0.85 H new ATOM 596 N PRO A 38 -7.011 3.172 -7.621 1.00 0.81 N ATOM 597 CA PRO A 38 -6.290 3.723 -6.512 1.00 0.85 C ATOM 598 C PRO A 38 -6.953 4.770 -5.683 1.00 0.89 C ATOM 599 O PRO A 38 -6.522 5.040 -4.563 1.00 0.99 O ATOM 600 CB PRO A 38 -5.035 4.400 -7.055 1.00 1.01 C ATOM 601 CG PRO A 38 -4.698 3.530 -8.277 1.00 1.25 C ATOM 602 CD PRO A 38 -6.061 2.962 -8.703 1.00 0.98 C ATOM 0 HA PRO A 38 -6.148 2.860 -5.862 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.220 5.438 -7.333 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.227 4.405 -6.324 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.242 4.117 -9.074 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -3.995 2.737 -8.023 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.408 3.454 -9.612 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -5.974 1.899 -8.929 1.00 0.98 H new ATOM 610 N ASP A 39 -8.061 5.325 -6.205 1.00 0.96 N ATOM 611 CA ASP A 39 -8.909 6.270 -5.548 1.00 1.11 C ATOM 612 C ASP A 39 -9.448 5.802 -4.240 1.00 1.00 C ATOM 613 O ASP A 39 -9.580 6.508 -3.242 1.00 1.14 O ATOM 614 CB ASP A 39 -10.146 6.591 -6.403 1.00 1.39 C ATOM 615 CG ASP A 39 -9.595 6.936 -7.778 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.080 8.070 -7.973 1.00 2.23 O ATOM 617 OD2 ASP A 39 -9.587 6.003 -8.624 1.00 2.25 O ATOM 0 H ASP A 39 -8.384 5.099 -7.146 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.263 7.134 -5.393 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.824 5.739 -6.452 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.710 7.424 -5.984 1.00 1.39 H new ATOM 622 N GLN A 40 -9.880 4.531 -4.335 1.00 0.87 N ATOM 623 CA GLN A 40 -10.498 3.792 -3.278 1.00 0.84 C ATOM 624 C GLN A 40 -9.541 3.028 -2.430 1.00 0.67 C ATOM 625 O GLN A 40 -9.998 2.492 -1.423 1.00 0.80 O ATOM 626 CB GLN A 40 -11.494 2.820 -3.932 1.00 0.95 C ATOM 627 CG GLN A 40 -12.534 3.553 -4.782 1.00 1.32 C ATOM 628 CD GLN A 40 -13.507 4.363 -3.938 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.858 4.150 -2.778 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.174 5.269 -4.702 1.00 2.02 N ATOM 0 H GLN A 40 -9.793 3.991 -5.196 1.00 0.87 H new ATOM 0 HA GLN A 40 -10.980 4.502 -2.606 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.951 2.110 -4.556 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -12.000 2.243 -3.158 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.025 4.216 -5.482 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -13.090 2.828 -5.377 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.879 5.442 -5.663 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.970 5.776 -4.314 1.00 2.02 H new ATOM 639 N GLN A 41 -8.251 3.001 -2.810 1.00 0.56 N ATOM 640 CA GLN A 41 -7.308 2.236 -2.056 1.00 0.51 C ATOM 641 C GLN A 41 -6.553 3.252 -1.269 1.00 0.49 C ATOM 642 O GLN A 41 -6.159 4.280 -1.818 1.00 0.65 O ATOM 643 CB GLN A 41 -6.283 1.526 -2.957 1.00 0.67 C ATOM 644 CG GLN A 41 -6.879 0.512 -3.936 1.00 0.69 C ATOM 645 CD GLN A 41 -5.713 -0.275 -4.514 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.913 -0.811 -3.750 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.571 -0.324 -5.867 1.00 0.61 N ATOM 0 H GLN A 41 -7.868 3.494 -3.617 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.824 1.477 -1.468 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.737 2.279 -3.525 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.557 1.015 -2.324 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.579 -0.151 -3.428 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.434 1.017 -4.726 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.256 0.133 -6.469 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.780 -0.818 -6.279 1.00 0.61 H new ATOM 656 N ARG A 42 -6.237 2.974 0.009 1.00 0.47 N ATOM 657 CA ARG A 42 -5.325 3.705 0.832 1.00 0.55 C ATOM 658 C ARG A 42 -4.383 2.744 1.472 1.00 0.46 C ATOM 659 O ARG A 42 -4.698 1.616 1.850 1.00 0.52 O ATOM 660 CB ARG A 42 -6.155 4.316 1.973 1.00 0.73 C ATOM 661 CG ARG A 42 -6.645 5.719 1.609 1.00 1.04 C ATOM 662 CD ARG A 42 -7.764 6.179 2.545 1.00 1.28 C ATOM 663 NE ARG A 42 -8.002 7.607 2.192 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.032 8.331 2.718 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.684 7.848 3.817 1.00 2.34 N ATOM 666 NH2 ARG A 42 -9.357 9.568 2.242 1.00 2.78 N ATOM 0 H ARG A 42 -6.649 2.181 0.501 1.00 0.47 H new ATOM 0 HA ARG A 42 -4.788 4.451 0.246 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.009 3.674 2.189 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -5.553 4.362 2.880 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -5.813 6.422 1.661 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -7.004 5.725 0.580 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.666 5.583 2.405 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.472 6.074 3.590 1.00 1.28 H new ATOM 0 HE ARG A 42 -7.371 8.061 1.532 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.398 6.960 4.230 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -10.456 8.375 4.224 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -8.824 9.975 1.473 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -10.132 10.086 2.655 1.00 2.78 H new ATOM 680 N LEU A 43 -3.138 3.227 1.634 1.00 0.46 N ATOM 681 CA LEU A 43 -2.155 2.398 2.260 1.00 0.42 C ATOM 682 C LEU A 43 -1.922 2.961 3.619 1.00 0.43 C ATOM 683 O LEU A 43 -1.735 4.159 3.832 1.00 0.55 O ATOM 684 CB LEU A 43 -0.941 2.144 1.348 1.00 0.55 C ATOM 685 CG LEU A 43 -1.074 1.189 0.151 1.00 0.65 C ATOM 686 CD1 LEU A 43 0.131 1.413 -0.778 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.168 -0.265 0.644 1.00 1.12 C ATOM 0 H LEU A 43 -2.820 4.152 1.345 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.489 1.372 2.412 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.618 3.110 0.960 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.134 1.767 1.977 1.00 0.55 H new ATOM 0 HG LEU A 43 -1.988 1.390 -0.408 1.00 0.65 H new ATOM 0 HD11 LEU A 43 0.058 0.745 -1.636 1.00 1.17 H new ATOM 0 HD12 LEU A 43 0.137 2.447 -1.123 1.00 1.17 H new ATOM 0 HD13 LEU A 43 1.053 1.206 -0.234 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.262 -0.934 -0.211 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.268 -0.518 1.205 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.040 -0.375 1.288 1.00 1.12 H new ATOM 699 N ILE A 44 -1.968 2.104 4.653 1.00 0.42 N ATOM 700 CA ILE A 44 -1.712 2.553 5.986 1.00 0.46 C ATOM 701 C ILE A 44 -0.428 1.908 6.378 1.00 0.42 C ATOM 702 O ILE A 44 -0.143 0.752 6.066 1.00 0.53 O ATOM 703 CB ILE A 44 -2.831 2.340 6.962 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.266 2.579 6.462 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.735 3.233 8.211 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.485 3.948 5.819 1.00 1.27 C ATOM 0 H ILE A 44 -2.180 1.110 4.569 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.635 3.640 6.009 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.681 1.279 7.160 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.520 1.805 5.738 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.954 2.469 7.300 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.576 3.025 8.872 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.802 3.026 8.735 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.759 4.281 7.912 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.522 4.036 5.494 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.265 4.730 6.545 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.825 4.056 4.959 1.00 1.27 H new ATOM 718 N PHE A 45 0.440 2.653 7.084 1.00 0.42 N ATOM 719 CA PHE A 45 1.670 2.161 7.621 1.00 0.46 C ATOM 720 C PHE A 45 2.048 3.006 8.789 1.00 0.68 C ATOM 721 O PHE A 45 2.110 4.234 8.782 1.00 1.50 O ATOM 722 CB PHE A 45 2.785 2.002 6.574 1.00 0.56 C ATOM 723 CG PHE A 45 4.136 1.760 7.154 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.493 0.476 7.490 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.127 2.705 7.280 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.696 0.158 8.073 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.365 2.428 7.811 1.00 1.33 C ATOM 728 CZ PHE A 45 6.626 1.155 8.258 1.00 1.02 C ATOM 0 H PHE A 45 0.278 3.639 7.289 1.00 0.42 H new ATOM 0 HA PHE A 45 1.520 1.138 7.966 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.532 1.173 5.913 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.822 2.901 5.959 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.794 -0.322 7.286 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.924 3.712 6.946 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.908 -0.856 8.380 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.119 3.198 7.876 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.560 0.937 8.754 1.00 1.02 H new ATOM 738 N ALA A 46 2.313 2.389 9.955 1.00 0.81 N ATOM 739 CA ALA A 46 2.607 3.053 11.187 1.00 0.96 C ATOM 740 C ALA A 46 1.573 3.943 11.785 1.00 0.97 C ATOM 741 O ALA A 46 1.748 4.997 12.395 1.00 1.21 O ATOM 742 CB ALA A 46 4.053 3.561 11.059 1.00 1.20 C ATOM 0 H ALA A 46 2.322 1.373 10.042 1.00 0.81 H new ATOM 0 HA ALA A 46 2.545 2.347 12.015 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.339 4.080 11.974 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.722 2.716 10.897 1.00 1.20 H new ATOM 0 HB3 ALA A 46 4.124 4.247 10.215 1.00 1.20 H new ATOM 748 N GLY A 47 0.311 3.526 11.575 1.00 0.99 N ATOM 749 CA GLY A 47 -0.883 4.186 12.000 1.00 1.10 C ATOM 750 C GLY A 47 -1.318 5.302 11.113 1.00 1.03 C ATOM 751 O GLY A 47 -2.479 5.708 11.169 1.00 1.30 O ATOM 0 H GLY A 47 0.113 2.662 11.070 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.687 3.453 12.062 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.730 4.576 13.006 1.00 1.10 H new ATOM 755 N LYS A 48 -0.494 5.891 10.229 1.00 0.98 N ATOM 756 CA LYS A 48 -0.843 6.998 9.393 1.00 1.05 C ATOM 757 C LYS A 48 -1.269 6.516 8.049 1.00 0.84 C ATOM 758 O LYS A 48 -0.756 5.514 7.552 1.00 0.81 O ATOM 759 CB LYS A 48 0.408 7.826 9.056 1.00 1.42 C ATOM 760 CG LYS A 48 1.179 8.325 10.279 1.00 1.61 C ATOM 761 CD LYS A 48 2.449 9.019 9.779 1.00 1.87 C ATOM 762 CE LYS A 48 3.379 8.083 9.003 1.00 2.22 C ATOM 763 NZ LYS A 48 4.783 8.515 9.173 1.00 2.55 N ATOM 0 H LYS A 48 0.467 5.578 10.090 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.612 7.555 9.928 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.075 7.221 8.442 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.110 8.684 8.453 1.00 1.42 H new ATOM 0 HG2 LYS A 48 0.569 9.017 10.859 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.432 7.494 10.937 1.00 1.61 H new ATOM 0 HD2 LYS A 48 2.170 9.857 9.140 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.989 9.434 10.631 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.259 7.060 9.358 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.114 8.087 7.946 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.409 7.875 8.644 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 4.894 9.484 8.813 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 5.034 8.489 10.182 1.00 2.55 H new ATOM 777 N GLN A 49 -2.191 7.307 7.472 1.00 0.84 N ATOM 778 CA GLN A 49 -2.637 7.133 6.125 1.00 0.80 C ATOM 779 C GLN A 49 -1.723 7.908 5.239 1.00 0.72 C ATOM 780 O GLN A 49 -1.427 9.090 5.409 1.00 0.83 O ATOM 781 CB GLN A 49 -4.057 7.695 5.937 1.00 1.03 C ATOM 782 CG GLN A 49 -4.733 7.762 4.566 1.00 1.67 C ATOM 783 CD GLN A 49 -5.869 8.763 4.724 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.876 8.446 5.356 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.712 9.960 4.100 1.00 2.48 N ATOM 0 H GLN A 49 -2.638 8.087 7.954 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.640 6.069 5.887 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.713 7.110 6.582 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -4.046 8.711 6.331 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.031 8.083 3.797 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -5.110 6.784 4.265 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.851 10.161 3.592 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.455 10.657 4.140 1.00 2.48 H new ATOM 794 N LEU A 50 -1.160 7.092 4.330 1.00 0.69 N ATOM 795 CA LEU A 50 -0.191 7.614 3.417 1.00 0.66 C ATOM 796 C LEU A 50 -0.808 8.455 2.352 1.00 0.72 C ATOM 797 O LEU A 50 -1.995 8.351 2.045 1.00 0.90 O ATOM 798 CB LEU A 50 0.681 6.517 2.784 1.00 0.65 C ATOM 799 CG LEU A 50 1.305 5.564 3.818 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.277 4.606 3.109 1.00 0.77 C ATOM 801 CD2 LEU A 50 1.911 6.150 5.105 1.00 0.74 C ATOM 0 H LEU A 50 -1.367 6.099 4.227 1.00 0.69 H new ATOM 0 HA LEU A 50 0.457 8.250 4.020 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.076 5.939 2.086 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.477 6.984 2.204 1.00 0.65 H new ATOM 0 HG LEU A 50 0.443 5.039 4.230 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.720 3.930 3.840 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.736 4.027 2.361 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.065 5.181 2.623 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.306 5.343 5.722 1.00 0.74 H new ATOM 0 HD22 LEU A 50 2.717 6.838 4.848 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.140 6.686 5.659 1.00 0.74 H new ATOM 813 N GLU A 51 -0.054 9.306 1.636 1.00 0.70 N ATOM 814 CA GLU A 51 -0.500 10.053 0.501 1.00 0.76 C ATOM 815 C GLU A 51 0.166 9.450 -0.687 1.00 0.77 C ATOM 816 O GLU A 51 1.228 8.837 -0.582 1.00 1.23 O ATOM 817 CB GLU A 51 -0.014 11.508 0.619 1.00 0.88 C ATOM 818 CG GLU A 51 -0.696 12.338 1.709 1.00 1.35 C ATOM 819 CD GLU A 51 0.009 13.665 1.949 1.00 1.46 C ATOM 820 OE1 GLU A 51 -0.213 14.638 1.181 1.00 1.89 O ATOM 821 OE2 GLU A 51 0.795 13.790 2.927 1.00 1.94 O ATOM 0 H GLU A 51 0.925 9.483 1.862 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.587 10.034 0.427 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.059 11.501 0.809 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -0.165 12.003 -0.340 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.732 12.525 1.426 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.718 11.767 2.637 1.00 1.35 H new ATOM 828 N ASP A 52 -0.425 9.697 -1.870 1.00 0.66 N ATOM 829 CA ASP A 52 -0.154 9.113 -3.147 1.00 0.65 C ATOM 830 C ASP A 52 1.102 9.550 -3.818 1.00 0.60 C ATOM 831 O ASP A 52 1.977 8.744 -4.129 1.00 0.62 O ATOM 832 CB ASP A 52 -1.326 9.344 -4.116 1.00 0.81 C ATOM 833 CG ASP A 52 -2.645 8.770 -3.620 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.151 9.254 -2.573 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.256 7.919 -4.320 1.00 1.44 O ATOM 0 H ASP A 52 -1.177 10.384 -1.935 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.020 8.057 -2.914 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.444 10.415 -4.282 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.084 8.897 -5.080 1.00 0.81 H new ATOM 840 N GLY A 53 1.283 10.856 -4.087 1.00 0.68 N ATOM 841 CA GLY A 53 2.465 11.482 -4.593 1.00 0.73 C ATOM 842 C GLY A 53 3.503 11.732 -3.554 1.00 0.72 C ATOM 843 O GLY A 53 4.155 12.774 -3.538 1.00 0.97 O ATOM 0 H GLY A 53 0.534 11.532 -3.936 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.891 10.854 -5.376 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.193 12.430 -5.057 1.00 0.73 H new ATOM 847 N ARG A 54 3.798 10.800 -2.631 1.00 0.64 N ATOM 848 CA ARG A 54 4.964 10.786 -1.803 1.00 0.63 C ATOM 849 C ARG A 54 5.627 9.493 -2.136 1.00 0.59 C ATOM 850 O ARG A 54 5.060 8.447 -2.445 1.00 0.62 O ATOM 851 CB ARG A 54 4.605 10.975 -0.319 1.00 0.69 C ATOM 852 CG ARG A 54 3.980 12.359 -0.128 1.00 0.82 C ATOM 853 CD ARG A 54 3.552 12.700 1.301 1.00 1.18 C ATOM 854 NE ARG A 54 4.714 12.848 2.222 1.00 1.50 N ATOM 855 CZ ARG A 54 4.714 12.975 3.581 1.00 2.00 C ATOM 856 NH1 ARG A 54 3.519 13.096 4.229 1.00 2.48 N ATOM 857 NH2 ARG A 54 5.927 13.040 4.204 1.00 2.49 N ATOM 0 H ARG A 54 3.183 10.006 -2.452 1.00 0.64 H new ATOM 0 HA ARG A 54 5.646 11.616 -1.986 1.00 0.63 H new ATOM 0 HB2 ARG A 54 3.908 10.200 0.001 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.497 10.877 0.299 1.00 0.69 H new ATOM 0 HG2 ARG A 54 4.695 13.110 -0.463 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.108 12.437 -0.778 1.00 0.82 H new ATOM 0 HD2 ARG A 54 2.977 13.626 1.294 1.00 1.18 H new ATOM 0 HD3 ARG A 54 2.892 11.918 1.676 1.00 1.18 H new ATOM 0 HE ARG A 54 5.632 12.855 1.777 1.00 1.50 H new ATOM 0 HH11 ARG A 54 2.648 13.090 3.698 1.00 2.48 H new ATOM 0 HH12 ARG A 54 3.497 13.192 5.244 1.00 2.48 H new ATOM 0 HH21 ARG A 54 6.785 12.994 3.655 1.00 2.49 H new ATOM 0 HH22 ARG A 54 5.975 13.135 5.218 1.00 2.49 H new ATOM 871 N THR A 55 6.969 9.509 -2.049 1.00 0.63 N ATOM 872 CA THR A 55 7.668 8.266 -2.151 1.00 0.61 C ATOM 873 C THR A 55 7.669 7.360 -0.969 1.00 0.59 C ATOM 874 O THR A 55 7.312 7.834 0.108 1.00 0.64 O ATOM 875 CB THR A 55 9.112 8.433 -2.517 1.00 0.68 C ATOM 876 OG1 THR A 55 9.812 9.212 -1.558 1.00 0.75 O ATOM 877 CG2 THR A 55 9.219 9.142 -3.877 1.00 0.76 C ATOM 0 H THR A 55 7.547 10.338 -1.915 1.00 0.63 H new ATOM 0 HA THR A 55 7.070 7.797 -2.932 1.00 0.61 H new ATOM 0 HB THR A 55 9.556 7.438 -2.556 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.764 8.982 -1.582 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.269 9.263 -4.143 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.719 8.545 -4.639 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.745 10.122 -3.815 1.00 0.76 H new ATOM 885 N LEU A 56 8.018 6.073 -1.151 1.00 0.58 N ATOM 886 CA LEU A 56 8.275 5.063 -0.171 1.00 0.59 C ATOM 887 C LEU A 56 9.332 5.527 0.770 1.00 0.64 C ATOM 888 O LEU A 56 9.091 5.305 1.957 1.00 0.70 O ATOM 889 CB LEU A 56 8.541 3.685 -0.799 1.00 0.60 C ATOM 890 CG LEU A 56 7.335 3.094 -1.549 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.792 2.273 -2.767 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.278 2.363 -0.703 1.00 1.03 C ATOM 0 H LEU A 56 8.132 5.702 -2.094 1.00 0.58 H new ATOM 0 HA LEU A 56 7.373 4.907 0.421 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.380 3.768 -1.490 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.842 2.992 -0.014 1.00 0.60 H new ATOM 0 HG LEU A 56 6.783 3.969 -1.893 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.920 1.866 -3.280 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.348 2.915 -3.450 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.432 1.455 -2.435 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.483 1.995 -1.352 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.743 1.523 -0.187 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.858 3.052 0.030 1.00 1.03 H new ATOM 904 N SER A 57 10.399 6.118 0.204 1.00 0.68 N ATOM 905 CA SER A 57 11.467 6.728 0.935 1.00 0.75 C ATOM 906 C SER A 57 11.097 7.850 1.844 1.00 0.76 C ATOM 907 O SER A 57 11.673 7.957 2.924 1.00 0.84 O ATOM 908 CB SER A 57 12.561 7.271 0.000 1.00 0.84 C ATOM 909 OG SER A 57 12.084 7.979 -1.135 1.00 1.19 O ATOM 0 H SER A 57 10.523 6.173 -0.807 1.00 0.68 H new ATOM 0 HA SER A 57 11.812 5.901 1.555 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.213 7.930 0.573 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.173 6.436 -0.342 1.00 0.84 H new ATOM 0 HG SER A 57 12.844 8.288 -1.671 1.00 1.19 H new ATOM 915 N ASP A 58 10.067 8.649 1.511 1.00 0.75 N ATOM 916 CA ASP A 58 9.594 9.630 2.439 1.00 0.78 C ATOM 917 C ASP A 58 8.922 9.023 3.622 1.00 0.77 C ATOM 918 O ASP A 58 8.993 9.488 4.758 1.00 0.86 O ATOM 919 CB ASP A 58 8.586 10.512 1.683 1.00 0.83 C ATOM 920 CG ASP A 58 8.230 11.876 2.258 1.00 1.23 C ATOM 921 OD1 ASP A 58 8.749 12.320 3.316 1.00 1.86 O ATOM 922 OD2 ASP A 58 7.425 12.563 1.575 1.00 1.90 O ATOM 0 H ASP A 58 9.571 8.619 0.620 1.00 0.75 H new ATOM 0 HA ASP A 58 10.443 10.199 2.818 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.974 10.669 0.677 1.00 0.83 H new ATOM 0 HB3 ASP A 58 7.661 9.944 1.583 1.00 0.83 H new ATOM 927 N TYR A 59 8.201 7.897 3.469 1.00 0.72 N ATOM 928 CA TYR A 59 7.529 7.152 4.487 1.00 0.73 C ATOM 929 C TYR A 59 8.334 6.180 5.279 1.00 0.76 C ATOM 930 O TYR A 59 7.855 5.492 6.180 1.00 0.89 O ATOM 931 CB TYR A 59 6.256 6.479 3.948 1.00 0.73 C ATOM 932 CG TYR A 59 5.216 7.534 3.793 1.00 0.67 C ATOM 933 CD1 TYR A 59 4.781 8.286 4.859 1.00 0.74 C ATOM 934 CD2 TYR A 59 4.774 7.826 2.524 1.00 0.67 C ATOM 935 CE1 TYR A 59 3.845 9.277 4.672 1.00 0.77 C ATOM 936 CE2 TYR A 59 3.808 8.781 2.312 1.00 0.70 C ATOM 937 CZ TYR A 59 3.299 9.418 3.419 1.00 0.74 C ATOM 938 OH TYR A 59 2.148 10.234 3.349 1.00 0.86 O ATOM 0 H TYR A 59 8.079 7.473 2.550 1.00 0.72 H new ATOM 0 HA TYR A 59 7.280 7.928 5.211 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.455 5.995 2.992 1.00 0.73 H new ATOM 0 HB3 TYR A 59 5.914 5.703 4.633 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.176 8.098 5.847 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.192 7.297 1.681 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.549 9.924 5.485 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.463 9.021 1.317 1.00 0.70 H new ATOM 0 HH TYR A 59 2.191 10.920 4.047 1.00 0.86 H new ATOM 948 N ASN A 60 9.628 6.139 4.914 1.00 0.74 N ATOM 949 CA ASN A 60 10.715 5.320 5.355 1.00 0.79 C ATOM 950 C ASN A 60 10.429 3.858 5.396 1.00 0.75 C ATOM 951 O ASN A 60 10.658 3.146 6.373 1.00 0.86 O ATOM 952 CB ASN A 60 11.253 5.859 6.691 1.00 0.95 C ATOM 953 CG ASN A 60 12.707 5.415 6.765 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.443 5.518 5.785 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.126 4.870 7.939 1.00 1.83 N ATOM 0 H ASN A 60 9.956 6.785 4.196 1.00 0.74 H new ATOM 0 HA ASN A 60 11.493 5.395 4.595 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.174 6.945 6.734 1.00 0.95 H new ATOM 0 HB3 ASN A 60 10.681 5.464 7.530 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.083 4.528 8.030 1.00 1.83 H new ATOM 0 HD22 ASN A 60 12.483 4.803 8.728 1.00 1.83 H new ATOM 962 N ILE A 61 9.768 3.425 4.309 1.00 0.67 N ATOM 963 CA ILE A 61 9.372 2.068 4.094 1.00 0.65 C ATOM 964 C ILE A 61 10.485 1.243 3.546 1.00 0.66 C ATOM 965 O ILE A 61 11.179 1.599 2.595 1.00 0.75 O ATOM 966 CB ILE A 61 8.082 1.940 3.339 1.00 0.63 C ATOM 967 CG1 ILE A 61 6.855 2.291 4.198 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.866 0.499 2.846 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.650 2.615 3.316 1.00 0.82 C ATOM 0 H ILE A 61 9.498 4.047 3.547 1.00 0.67 H new ATOM 0 HA ILE A 61 9.149 1.646 5.074 1.00 0.65 H new ATOM 0 HB ILE A 61 8.170 2.639 2.507 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.615 1.456 4.856 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.084 3.144 4.836 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.923 0.438 2.303 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.685 0.214 2.185 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.837 -0.177 3.700 1.00 0.72 H new ATOM 0 HD11 ILE A 61 4.794 2.860 3.945 1.00 0.82 H new ATOM 0 HD12 ILE A 61 5.886 3.465 2.676 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.409 1.751 2.697 1.00 0.82 H new ATOM 981 N GLN A 62 10.733 0.073 4.161 1.00 0.67 N ATOM 982 CA GLN A 62 11.834 -0.791 3.872 1.00 0.70 C ATOM 983 C GLN A 62 11.336 -2.170 3.600 1.00 0.62 C ATOM 984 O GLN A 62 10.132 -2.420 3.573 1.00 0.64 O ATOM 985 CB GLN A 62 12.758 -0.964 5.089 1.00 0.85 C ATOM 986 CG GLN A 62 13.551 0.326 5.306 1.00 1.27 C ATOM 987 CD GLN A 62 14.785 0.195 6.187 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.713 -0.202 7.349 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.968 0.555 5.618 1.00 2.16 N ATOM 0 H GLN A 62 10.131 -0.289 4.901 1.00 0.67 H new ATOM 0 HA GLN A 62 12.358 -0.341 3.028 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.170 -1.197 5.977 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.438 -1.800 4.928 1.00 0.85 H new ATOM 0 HG2 GLN A 62 13.859 0.711 4.334 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.888 1.070 5.748 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.991 0.880 4.651 1.00 2.16 H new ATOM 0 HE22 GLN A 62 16.831 0.500 6.158 1.00 2.16 H new ATOM 998 N LYS A 63 12.256 -3.097 3.279 1.00 0.64 N ATOM 999 CA LYS A 63 11.916 -4.448 2.959 1.00 0.62 C ATOM 1000 C LYS A 63 11.162 -5.184 4.012 1.00 0.59 C ATOM 1001 O LYS A 63 11.318 -4.891 5.196 1.00 0.66 O ATOM 1002 CB LYS A 63 13.087 -5.342 2.519 1.00 0.74 C ATOM 1003 CG LYS A 63 13.933 -5.934 3.648 1.00 0.89 C ATOM 1004 CD LYS A 63 15.054 -6.845 3.146 1.00 1.11 C ATOM 1005 CE LYS A 63 16.014 -7.366 4.218 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.411 -8.146 5.320 1.00 2.12 N ATOM 0 H LYS A 63 13.257 -2.904 3.241 1.00 0.64 H new ATOM 0 HA LYS A 63 11.262 -4.275 2.104 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.689 -6.161 1.921 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.740 -4.760 1.868 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.367 -5.122 4.232 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.287 -6.500 4.319 1.00 0.89 H new ATOM 0 HD2 LYS A 63 14.604 -7.700 2.641 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.633 -6.301 2.399 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.765 -7.988 3.731 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.538 -6.514 4.650 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.162 -8.502 5.945 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 14.767 -7.537 5.864 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 14.879 -8.949 4.927 1.00 2.12 H new ATOM 1020 N GLU A 64 10.387 -6.206 3.604 1.00 0.57 N ATOM 1021 CA GLU A 64 9.718 -7.148 4.445 1.00 0.58 C ATOM 1022 C GLU A 64 8.727 -6.500 5.350 1.00 0.56 C ATOM 1023 O GLU A 64 8.225 -7.107 6.294 1.00 0.70 O ATOM 1024 CB GLU A 64 10.698 -8.120 5.123 1.00 0.72 C ATOM 1025 CG GLU A 64 11.344 -9.076 4.119 1.00 0.96 C ATOM 1026 CD GLU A 64 12.438 -9.850 4.840 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.162 -10.675 5.752 1.00 1.69 O ATOM 1028 OE2 GLU A 64 13.610 -9.703 4.402 1.00 1.71 O ATOM 0 H GLU A 64 10.217 -6.385 2.614 1.00 0.57 H new ATOM 0 HA GLU A 64 9.108 -7.788 3.808 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.475 -7.553 5.635 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.170 -8.695 5.883 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.600 -9.760 3.711 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.761 -8.521 3.279 1.00 0.96 H new ATOM 1035 N SER A 65 8.412 -5.211 5.131 1.00 0.51 N ATOM 1036 CA SER A 65 7.578 -4.404 5.968 1.00 0.51 C ATOM 1037 C SER A 65 6.198 -4.607 5.446 1.00 0.43 C ATOM 1038 O SER A 65 6.021 -4.585 4.229 1.00 0.50 O ATOM 1039 CB SER A 65 8.090 -2.957 5.875 1.00 0.65 C ATOM 1040 OG SER A 65 7.393 -2.230 6.876 1.00 1.04 O ATOM 0 H SER A 65 8.761 -4.701 4.320 1.00 0.51 H new ATOM 0 HA SER A 65 7.589 -4.660 7.027 1.00 0.51 H new ATOM 0 HB2 SER A 65 9.167 -2.913 6.039 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.901 -2.539 4.886 1.00 0.65 H new ATOM 0 HG SER A 65 7.020 -1.412 6.486 1.00 1.04 H new ATOM 1046 N THR A 66 5.242 -4.900 6.346 1.00 0.45 N ATOM 1047 CA THR A 66 3.888 -5.240 6.037 1.00 0.45 C ATOM 1048 C THR A 66 3.179 -3.938 6.188 1.00 0.43 C ATOM 1049 O THR A 66 2.998 -3.337 7.247 1.00 0.58 O ATOM 1050 CB THR A 66 3.235 -6.280 6.899 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.140 -7.373 6.947 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.878 -6.760 6.358 1.00 0.78 C ATOM 0 H THR A 66 5.426 -4.899 7.349 1.00 0.45 H new ATOM 0 HA THR A 66 3.848 -5.703 5.051 1.00 0.45 H new ATOM 0 HB THR A 66 3.026 -5.853 7.880 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.762 -8.086 7.503 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.463 -7.511 7.031 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.193 -5.915 6.291 1.00 0.78 H new ATOM 0 HG23 THR A 66 2.014 -7.195 5.368 1.00 0.78 H new ATOM 1060 N LEU A 67 2.658 -3.416 5.064 1.00 0.38 N ATOM 1061 CA LEU A 67 1.737 -2.323 5.038 1.00 0.38 C ATOM 1062 C LEU A 67 0.324 -2.793 5.082 1.00 0.37 C ATOM 1063 O LEU A 67 0.062 -3.982 4.906 1.00 0.50 O ATOM 1064 CB LEU A 67 1.862 -1.456 3.773 1.00 0.46 C ATOM 1065 CG LEU A 67 3.276 -1.163 3.245 1.00 0.65 C ATOM 1066 CD1 LEU A 67 3.121 -0.382 1.929 1.00 1.40 C ATOM 1067 CD2 LEU A 67 4.301 -0.518 4.193 1.00 1.31 C ATOM 0 H LEU A 67 2.888 -3.770 4.135 1.00 0.38 H new ATOM 0 HA LEU A 67 1.991 -1.735 5.920 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.300 -1.943 2.976 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.373 -0.502 3.970 1.00 0.46 H new ATOM 0 HG LEU A 67 3.744 -2.138 3.107 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.107 -0.155 1.522 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.563 -0.984 1.212 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.584 0.547 2.119 1.00 1.40 H new ATOM 0 HD21 LEU A 67 5.246 -0.379 3.667 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.927 0.449 4.530 1.00 1.31 H new ATOM 0 HD23 LEU A 67 4.458 -1.167 5.055 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.576 -1.860 5.440 1.00 0.35 N ATOM 1080 CA HIS A 68 -1.953 -2.223 5.564 1.00 0.37 C ATOM 1081 C HIS A 68 -2.824 -1.591 4.534 1.00 0.35 C ATOM 1082 O HIS A 68 -2.722 -0.377 4.370 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.537 -1.661 6.872 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.945 -2.322 8.082 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.768 -1.965 8.708 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.351 -3.472 8.683 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.490 -2.945 9.609 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.451 -3.849 9.658 1.00 1.51 N ATOM 0 H HIS A 68 -0.360 -0.883 5.638 1.00 0.35 H new ATOM 0 HA HIS A 68 -1.952 -3.310 5.489 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.353 -0.588 6.919 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.618 -1.800 6.875 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -3.251 -4.014 8.432 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.406 -2.980 10.210 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -1.514 -4.653 10.282 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.629 -2.372 3.790 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.558 -1.888 2.817 1.00 0.38 C ATOM 1098 C LEU A 69 -5.909 -1.716 3.421 1.00 0.41 C ATOM 1099 O LEU A 69 -6.369 -2.554 4.196 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.643 -2.816 1.594 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.656 -2.474 0.488 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.384 -1.132 -0.213 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.579 -3.497 -0.658 1.00 1.14 C ATOM 0 H LEU A 69 -3.631 -3.389 3.872 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.192 -0.919 2.477 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.654 -2.856 1.138 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.869 -3.820 1.953 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.613 -2.458 1.009 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.140 -0.962 -0.979 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.421 -0.325 0.519 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.398 -1.157 -0.676 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.304 -3.235 -1.429 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.576 -3.490 -1.086 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.802 -4.492 -0.273 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.483 -0.548 3.083 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.828 -0.259 3.473 1.00 0.56 C ATOM 1117 C VAL A 70 -8.478 0.184 2.208 1.00 0.55 C ATOM 1118 O VAL A 70 -7.814 0.572 1.248 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.984 0.660 4.648 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -7.230 0.094 5.864 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.520 2.087 4.315 1.00 0.97 C ATOM 0 H VAL A 70 -6.023 0.188 2.547 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.323 -1.135 3.892 1.00 0.56 H new ATOM 0 HB VAL A 70 -9.044 0.722 4.896 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -7.349 0.768 6.712 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -7.635 -0.885 6.119 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -6.171 -0.002 5.623 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.648 2.725 5.190 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.468 2.070 4.029 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -8.114 2.480 3.490 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.815 0.068 2.118 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.631 0.427 0.999 1.00 0.84 C ATOM 1133 C LEU A 71 -11.731 1.367 1.355 1.00 0.85 C ATOM 1134 O LEU A 71 -12.555 1.184 2.250 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.143 -0.818 0.255 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.028 -1.705 -0.327 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.648 -2.907 -1.060 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.146 -0.989 -1.362 1.00 2.78 C ATOM 0 H LEU A 71 -10.368 -0.306 2.889 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.990 0.977 0.311 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.747 -1.414 0.939 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.799 -0.500 -0.555 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.415 -1.994 0.527 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -9.855 -3.532 -1.470 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.245 -3.492 -0.360 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.284 -2.550 -1.870 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.383 -1.676 -1.728 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.763 -0.654 -2.196 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.666 -0.128 -0.897 1.00 2.78 H new