USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 623 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 64 ASN : amide:sc= 0.0664 X(o=-0.26,f=-0.39) USER MOD Set 1.2: A 65 THR OG1 : rot -141:sc= -0.331 USER MOD Set 2.1: A 30 ASN : amide:sc= -0.465 X(o=-0.51,f=-0.16) USER MOD Set 2.2: A 32 LYS NZ :NH3+ 146:sc= -0.0461 (180deg=0) USER MOD Single : A 1 MET CE :methyl 151:sc= -0.228 (180deg=-0.889) USER MOD Single : A 1 MET N :NH3+ 151:sc= -0.418 (180deg=-1.54!) USER MOD Single : A 3 ASN : amide:sc= -3.91! C(o=-3.9!,f=-6.6!) USER MOD Single : A 5 TYR OH : rot -68:sc= 1.38 USER MOD Single : A 8 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.02) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 39:sc= 0.809 USER MOD Single : A 14 THR OG1 : rot -120:sc= -0.718 USER MOD Single : A 15 SER OG : rot 110:sc= -0.0288 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -159:sc= -0.048 (180deg=-0.303) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0846 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0052 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -164:sc= -0.589 (180deg=-1.11) USER MOD Single : A 51 GLN : amide:sc= 1.12 K(o=1.1,f=-6!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 176:sc= 0 (180deg=-0.011) USER MOD Single : A 71 THR OG1 : rot 36:sc= -0.196 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.258 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.941 3.997 -14.491 1.00 0.00 N ATOM 2 CA MET A 1 3.069 3.608 -13.062 1.00 0.00 C ATOM 3 C MET A 1 3.891 4.631 -12.284 1.00 0.00 C ATOM 4 O MET A 1 5.003 4.979 -12.680 1.00 0.00 O ATOM 5 CB MET A 1 3.731 2.231 -12.984 1.00 0.00 C ATOM 6 CG MET A 1 5.025 2.129 -13.776 1.00 0.00 C ATOM 7 SD MET A 1 5.370 0.449 -14.330 1.00 0.00 S ATOM 8 CE MET A 1 4.025 0.189 -15.484 1.00 0.00 C ATOM 0 H1 MET A 1 2.841 3.143 -15.076 1.00 0.00 H new ATOM 0 H2 MET A 1 2.103 4.600 -14.613 1.00 0.00 H new ATOM 0 H3 MET A 1 3.790 4.521 -14.786 1.00 0.00 H new ATOM 0 HA MET A 1 2.076 3.572 -12.613 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.935 1.994 -11.940 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.031 1.480 -13.350 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.969 2.789 -14.642 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.852 2.481 -13.160 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.339 -0.512 -16.257 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.164 -0.218 -14.954 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.752 1.138 -15.945 1.00 0.00 H new ATOM 20 N ARG A 2 3.335 5.110 -11.175 1.00 0.00 N ATOM 21 CA ARG A 2 4.018 6.094 -10.342 1.00 0.00 C ATOM 22 C ARG A 2 4.612 5.452 -9.091 1.00 0.00 C ATOM 23 O ARG A 2 5.321 6.103 -8.325 1.00 0.00 O ATOM 24 CB ARG A 2 3.053 7.216 -9.948 1.00 0.00 C ATOM 25 CG ARG A 2 3.328 8.533 -10.656 1.00 0.00 C ATOM 26 CD ARG A 2 3.944 9.556 -9.715 1.00 0.00 C ATOM 27 NE ARG A 2 3.844 10.914 -10.243 1.00 0.00 N ATOM 28 CZ ARG A 2 3.958 12.010 -9.495 1.00 0.00 C ATOM 29 NH1 ARG A 2 4.176 11.912 -8.190 1.00 0.00 N ATOM 30 NH2 ARG A 2 3.852 13.208 -10.055 1.00 0.00 N ATOM 0 H ARG A 2 2.415 4.833 -10.833 1.00 0.00 H new ATOM 0 HA ARG A 2 4.837 6.513 -10.926 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.033 6.901 -10.169 1.00 0.00 H new ATOM 0 HB3 ARG A 2 3.112 7.373 -8.871 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.999 8.361 -11.497 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.398 8.928 -11.065 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.445 9.505 -8.747 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.992 9.309 -9.546 1.00 0.00 H new ATOM 0 HE ARG A 2 3.677 11.030 -11.243 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.257 10.993 -7.754 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.262 12.755 -7.623 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.683 13.289 -11.058 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.939 14.048 -9.483 1.00 0.00 H new ATOM 44 N ASN A 3 4.319 4.172 -8.890 1.00 0.00 N ATOM 45 CA ASN A 3 4.824 3.439 -7.733 1.00 0.00 C ATOM 46 C ASN A 3 4.372 4.094 -6.431 1.00 0.00 C ATOM 47 O ASN A 3 4.759 5.219 -6.119 1.00 0.00 O ATOM 48 CB ASN A 3 6.350 3.362 -7.776 1.00 0.00 C ATOM 49 CG ASN A 3 6.873 2.006 -7.349 1.00 0.00 C ATOM 50 OD1 ASN A 3 6.111 1.049 -7.209 1.00 0.00 O ATOM 51 ND2 ASN A 3 8.181 1.915 -7.138 1.00 0.00 N ATOM 0 H ASN A 3 3.733 3.618 -9.515 1.00 0.00 H new ATOM 0 HA ASN A 3 4.416 2.429 -7.770 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.693 3.579 -8.788 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.768 4.131 -7.126 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.590 1.027 -6.848 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.776 2.733 -7.266 1.00 0.00 H new ATOM 58 N ILE A 4 3.550 3.377 -5.673 1.00 0.00 N ATOM 59 CA ILE A 4 3.043 3.886 -4.403 1.00 0.00 C ATOM 60 C ILE A 4 3.771 3.247 -3.225 1.00 0.00 C ATOM 61 O ILE A 4 3.863 2.023 -3.129 1.00 0.00 O ATOM 62 CB ILE A 4 1.531 3.632 -4.257 1.00 0.00 C ATOM 63 CG1 ILE A 4 0.796 4.043 -5.534 1.00 0.00 C ATOM 64 CG2 ILE A 4 0.981 4.385 -3.056 1.00 0.00 C ATOM 65 CD1 ILE A 4 -0.674 3.680 -5.529 1.00 0.00 C ATOM 0 H ILE A 4 3.220 2.443 -5.915 1.00 0.00 H new ATOM 0 HA ILE A 4 3.224 4.961 -4.399 1.00 0.00 H new ATOM 0 HB ILE A 4 1.371 2.566 -4.097 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.896 5.120 -5.670 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.276 3.568 -6.389 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.089 4.195 -2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.487 4.047 -2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.150 5.454 -3.188 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.131 4.001 -6.465 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.782 2.600 -5.424 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.169 4.177 -4.694 1.00 0.00 H new ATOM 77 N TYR A 5 4.283 4.084 -2.330 1.00 0.00 N ATOM 78 CA TYR A 5 5.002 3.603 -1.155 1.00 0.00 C ATOM 79 C TYR A 5 4.204 3.871 0.117 1.00 0.00 C ATOM 80 O TYR A 5 3.789 5.001 0.375 1.00 0.00 O ATOM 81 CB TYR A 5 6.373 4.273 -1.061 1.00 0.00 C ATOM 82 CG TYR A 5 7.277 3.663 -0.014 1.00 0.00 C ATOM 83 CD1 TYR A 5 7.829 2.401 -0.195 1.00 0.00 C ATOM 84 CD2 TYR A 5 7.578 4.349 1.156 1.00 0.00 C ATOM 85 CE1 TYR A 5 8.655 1.841 0.760 1.00 0.00 C ATOM 86 CE2 TYR A 5 8.404 3.796 2.116 1.00 0.00 C ATOM 87 CZ TYR A 5 8.940 2.541 1.913 1.00 0.00 C ATOM 88 OH TYR A 5 9.763 1.987 2.866 1.00 0.00 O ATOM 0 H TYR A 5 4.214 5.100 -2.395 1.00 0.00 H new ATOM 0 HA TYR A 5 5.138 2.526 -1.258 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.864 4.213 -2.032 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.236 5.331 -0.838 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.609 1.849 -1.097 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.159 5.331 1.318 1.00 0.00 H new ATOM 0 HE1 TYR A 5 9.076 0.859 0.604 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.629 4.343 3.020 1.00 0.00 H new ATOM 0 HH TYR A 5 9.313 1.222 3.282 1.00 0.00 H new ATOM 98 N VAL A 6 3.993 2.825 0.910 1.00 0.00 N ATOM 99 CA VAL A 6 3.243 2.951 2.155 1.00 0.00 C ATOM 100 C VAL A 6 3.943 2.218 3.295 1.00 0.00 C ATOM 101 O VAL A 6 4.687 1.263 3.070 1.00 0.00 O ATOM 102 CB VAL A 6 1.810 2.403 2.004 1.00 0.00 C ATOM 103 CG1 VAL A 6 1.833 0.923 1.656 1.00 0.00 C ATOM 104 CG2 VAL A 6 1.006 2.647 3.274 1.00 0.00 C ATOM 0 H VAL A 6 4.330 1.883 0.713 1.00 0.00 H new ATOM 0 HA VAL A 6 3.193 4.014 2.390 1.00 0.00 H new ATOM 0 HB VAL A 6 1.325 2.936 1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.811 0.557 1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.365 0.779 0.716 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.339 0.371 2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.002 2.253 3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.489 2.145 4.112 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.955 3.718 3.472 1.00 0.00 H new ATOM 114 N GLY A 7 3.696 2.670 4.520 1.00 0.00 N ATOM 115 CA GLY A 7 4.306 2.047 5.680 1.00 0.00 C ATOM 116 C GLY A 7 3.286 1.666 6.734 1.00 0.00 C ATOM 117 O GLY A 7 2.085 1.649 6.466 1.00 0.00 O ATOM 0 H GLY A 7 3.083 3.458 4.730 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.851 1.156 5.366 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.036 2.730 6.115 1.00 0.00 H new ATOM 121 N ASN A 8 3.763 1.357 7.935 1.00 0.00 N ATOM 122 CA ASN A 8 2.882 0.974 9.033 1.00 0.00 C ATOM 123 C ASN A 8 2.061 -0.258 8.664 1.00 0.00 C ATOM 124 O ASN A 8 0.927 -0.418 9.117 1.00 0.00 O ATOM 125 CB ASN A 8 1.950 2.132 9.392 1.00 0.00 C ATOM 126 CG ASN A 8 1.467 2.062 10.828 1.00 0.00 C ATOM 127 OD1 ASN A 8 0.265 2.027 11.090 1.00 0.00 O ATOM 128 ND2 ASN A 8 2.406 2.041 11.768 1.00 0.00 N ATOM 0 H ASN A 8 4.755 1.364 8.173 1.00 0.00 H new ATOM 0 HA ASN A 8 3.501 0.732 9.897 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.470 3.076 9.232 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.091 2.124 8.722 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.142 1.994 12.752 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.391 2.072 11.506 1.00 0.00 H new ATOM 135 N LEU A 9 2.640 -1.125 7.840 1.00 0.00 N ATOM 136 CA LEU A 9 1.962 -2.341 7.410 1.00 0.00 C ATOM 137 C LEU A 9 2.328 -3.517 8.310 1.00 0.00 C ATOM 138 O LEU A 9 3.096 -3.370 9.261 1.00 0.00 O ATOM 139 CB LEU A 9 2.320 -2.664 5.958 1.00 0.00 C ATOM 140 CG LEU A 9 1.620 -1.797 4.910 1.00 0.00 C ATOM 141 CD1 LEU A 9 1.980 -2.260 3.507 1.00 0.00 C ATOM 142 CD2 LEU A 9 0.112 -1.829 5.113 1.00 0.00 C ATOM 0 H LEU A 9 3.578 -1.007 7.457 1.00 0.00 H new ATOM 0 HA LEU A 9 0.888 -2.172 7.483 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.398 -2.559 5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.077 -3.709 5.764 1.00 0.00 H new ATOM 0 HG LEU A 9 1.962 -0.769 5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.473 -1.631 2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.058 -2.185 3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.668 -3.296 3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.370 -1.207 4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.246 -2.854 5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.130 -1.449 6.106 1.00 0.00 H new ATOM 154 N VAL A 10 1.774 -4.685 8.001 1.00 0.00 N ATOM 155 CA VAL A 10 2.038 -5.888 8.779 1.00 0.00 C ATOM 156 C VAL A 10 1.473 -7.124 8.073 1.00 0.00 C ATOM 157 O VAL A 10 1.135 -7.068 6.890 1.00 0.00 O ATOM 158 CB VAL A 10 1.454 -5.761 10.208 1.00 0.00 C ATOM 159 CG1 VAL A 10 0.012 -6.252 10.272 1.00 0.00 C ATOM 160 CG2 VAL A 10 2.325 -6.502 11.214 1.00 0.00 C ATOM 0 H VAL A 10 1.138 -4.823 7.215 1.00 0.00 H new ATOM 0 HA VAL A 10 3.118 -6.005 8.863 1.00 0.00 H new ATOM 0 HB VAL A 10 1.450 -4.703 10.470 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.363 -6.147 11.290 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.604 -5.660 9.595 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.029 -7.300 9.976 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.897 -6.400 12.211 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.373 -7.557 10.946 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.330 -6.080 11.206 1.00 0.00 H new ATOM 170 N TYR A 11 1.375 -8.237 8.798 1.00 0.00 N ATOM 171 CA TYR A 11 0.852 -9.480 8.233 1.00 0.00 C ATOM 172 C TYR A 11 -0.430 -9.232 7.440 1.00 0.00 C ATOM 173 O TYR A 11 -0.635 -9.808 6.372 1.00 0.00 O ATOM 174 CB TYR A 11 0.589 -10.497 9.347 1.00 0.00 C ATOM 175 CG TYR A 11 1.280 -11.824 9.134 1.00 0.00 C ATOM 176 CD1 TYR A 11 0.679 -12.829 8.384 1.00 0.00 C ATOM 177 CD2 TYR A 11 2.531 -12.074 9.682 1.00 0.00 C ATOM 178 CE1 TYR A 11 1.307 -14.044 8.188 1.00 0.00 C ATOM 179 CE2 TYR A 11 3.165 -13.288 9.490 1.00 0.00 C ATOM 180 CZ TYR A 11 2.549 -14.268 8.743 1.00 0.00 C ATOM 181 OH TYR A 11 3.177 -15.478 8.550 1.00 0.00 O ATOM 0 H TYR A 11 1.651 -8.304 9.778 1.00 0.00 H new ATOM 0 HA TYR A 11 1.602 -9.880 7.550 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.917 -10.075 10.297 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.485 -10.665 9.427 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.294 -12.657 7.948 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.017 -11.308 10.268 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.827 -14.815 7.603 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.138 -13.467 9.923 1.00 0.00 H new ATOM 0 HH TYR A 11 4.044 -15.473 9.006 1.00 0.00 H new ATOM 191 N SER A 12 -1.289 -8.368 7.971 1.00 0.00 N ATOM 192 CA SER A 12 -2.550 -8.038 7.318 1.00 0.00 C ATOM 193 C SER A 12 -3.143 -6.761 7.906 1.00 0.00 C ATOM 194 O SER A 12 -4.301 -6.736 8.325 1.00 0.00 O ATOM 195 CB SER A 12 -3.541 -9.195 7.461 1.00 0.00 C ATOM 196 OG SER A 12 -3.428 -10.102 6.379 1.00 0.00 O ATOM 0 H SER A 12 -1.134 -7.883 8.855 1.00 0.00 H new ATOM 0 HA SER A 12 -2.354 -7.872 6.259 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.359 -9.719 8.399 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.557 -8.804 7.506 1.00 0.00 H new ATOM 0 HG SER A 12 -2.484 -10.205 6.136 1.00 0.00 H new ATOM 202 N ALA A 13 -2.338 -5.704 7.938 1.00 0.00 N ATOM 203 CA ALA A 13 -2.777 -4.423 8.479 1.00 0.00 C ATOM 204 C ALA A 13 -3.877 -3.806 7.620 1.00 0.00 C ATOM 205 O ALA A 13 -4.894 -3.343 8.137 1.00 0.00 O ATOM 206 CB ALA A 13 -1.599 -3.469 8.594 1.00 0.00 C ATOM 0 H ALA A 13 -1.377 -5.709 7.595 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.188 -4.601 9.473 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.940 -2.516 8.999 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.848 -3.897 9.257 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.163 -3.309 7.608 1.00 0.00 H new ATOM 212 N THR A 14 -3.666 -3.799 6.307 1.00 0.00 N ATOM 213 CA THR A 14 -4.645 -3.233 5.382 1.00 0.00 C ATOM 214 C THR A 14 -4.200 -3.396 3.931 1.00 0.00 C ATOM 215 O THR A 14 -5.029 -3.544 3.034 1.00 0.00 O ATOM 216 CB THR A 14 -4.880 -1.751 5.692 1.00 0.00 C ATOM 217 OG1 THR A 14 -3.924 -1.271 6.621 1.00 0.00 O ATOM 218 CG2 THR A 14 -6.254 -1.472 6.261 1.00 0.00 C ATOM 0 H THR A 14 -2.830 -4.177 5.860 1.00 0.00 H new ATOM 0 HA THR A 14 -5.579 -3.779 5.515 1.00 0.00 H new ATOM 0 HB THR A 14 -4.788 -1.238 4.735 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.383 -0.943 7.423 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.356 -0.405 6.459 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.014 -1.783 5.545 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.383 -2.027 7.190 1.00 0.00 H new ATOM 226 N SER A 15 -2.889 -3.363 3.701 1.00 0.00 N ATOM 227 CA SER A 15 -2.343 -3.503 2.352 1.00 0.00 C ATOM 228 C SER A 15 -2.974 -4.679 1.615 1.00 0.00 C ATOM 229 O SER A 15 -3.518 -4.519 0.522 1.00 0.00 O ATOM 230 CB SER A 15 -0.824 -3.674 2.409 1.00 0.00 C ATOM 231 OG SER A 15 -0.460 -4.706 3.308 1.00 0.00 O ATOM 0 H SER A 15 -2.186 -3.241 4.430 1.00 0.00 H new ATOM 0 HA SER A 15 -2.581 -2.593 1.801 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.443 -3.904 1.414 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.361 -2.737 2.719 1.00 0.00 H new ATOM 0 HG SER A 15 -0.113 -5.472 2.804 1.00 0.00 H new ATOM 237 N GLU A 16 -2.905 -5.860 2.218 1.00 0.00 N ATOM 238 CA GLU A 16 -3.481 -7.056 1.614 1.00 0.00 C ATOM 239 C GLU A 16 -5.006 -6.970 1.579 1.00 0.00 C ATOM 240 O GLU A 16 -5.666 -7.762 0.908 1.00 0.00 O ATOM 241 CB GLU A 16 -3.043 -8.304 2.386 1.00 0.00 C ATOM 242 CG GLU A 16 -1.896 -9.053 1.730 1.00 0.00 C ATOM 243 CD GLU A 16 -0.891 -9.577 2.736 1.00 0.00 C ATOM 244 OE1 GLU A 16 -0.678 -8.905 3.768 1.00 0.00 O ATOM 245 OE2 GLU A 16 -0.317 -10.660 2.493 1.00 0.00 O ATOM 0 H GLU A 16 -2.458 -6.015 3.121 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.118 -7.126 0.589 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.746 -8.012 3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.895 -8.977 2.487 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.295 -9.887 1.152 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.390 -8.391 1.027 1.00 0.00 H new ATOM 252 N GLN A 17 -5.561 -6.004 2.309 1.00 0.00 N ATOM 253 CA GLN A 17 -7.006 -5.817 2.360 1.00 0.00 C ATOM 254 C GLN A 17 -7.476 -4.847 1.278 1.00 0.00 C ATOM 255 O GLN A 17 -8.534 -5.038 0.677 1.00 0.00 O ATOM 256 CB GLN A 17 -7.423 -5.302 3.738 1.00 0.00 C ATOM 257 CG GLN A 17 -8.925 -5.118 3.889 1.00 0.00 C ATOM 258 CD GLN A 17 -9.285 -3.839 4.620 1.00 0.00 C ATOM 259 OE1 GLN A 17 -9.525 -2.804 4.001 1.00 0.00 O ATOM 260 NE2 GLN A 17 -9.325 -3.907 5.945 1.00 0.00 N ATOM 0 H GLN A 17 -5.030 -5.340 2.872 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.476 -6.783 2.179 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.072 -5.999 4.499 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.928 -4.349 3.926 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.387 -5.111 2.902 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.339 -5.970 4.429 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.119 -4.787 6.417 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.562 -3.079 6.491 1.00 0.00 H new ATOM 269 N VAL A 18 -6.691 -3.799 1.049 1.00 0.00 N ATOM 270 CA VAL A 18 -7.034 -2.788 0.052 1.00 0.00 C ATOM 271 C VAL A 18 -6.751 -3.271 -1.368 1.00 0.00 C ATOM 272 O VAL A 18 -7.400 -2.835 -2.318 1.00 0.00 O ATOM 273 CB VAL A 18 -6.268 -1.473 0.303 1.00 0.00 C ATOM 274 CG1 VAL A 18 -4.766 -1.690 0.184 1.00 0.00 C ATOM 275 CG2 VAL A 18 -6.738 -0.390 -0.658 1.00 0.00 C ATOM 0 H VAL A 18 -5.813 -3.627 1.539 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.104 -2.606 0.151 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.479 -1.142 1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.247 -0.749 0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.446 -2.428 0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.528 -2.049 -0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.187 0.531 -0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.561 -0.712 -1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.803 -0.212 -0.513 1.00 0.00 H new ATOM 285 N LYS A 19 -5.780 -4.170 -1.511 1.00 0.00 N ATOM 286 CA LYS A 19 -5.421 -4.699 -2.823 1.00 0.00 C ATOM 287 C LYS A 19 -6.648 -5.256 -3.543 1.00 0.00 C ATOM 288 O LYS A 19 -6.710 -5.258 -4.772 1.00 0.00 O ATOM 289 CB LYS A 19 -4.355 -5.787 -2.689 1.00 0.00 C ATOM 290 CG LYS A 19 -4.832 -7.018 -1.941 1.00 0.00 C ATOM 291 CD LYS A 19 -3.861 -8.177 -2.098 1.00 0.00 C ATOM 292 CE LYS A 19 -4.146 -8.976 -3.359 1.00 0.00 C ATOM 293 NZ LYS A 19 -5.427 -9.730 -3.261 1.00 0.00 N ATOM 0 H LYS A 19 -5.230 -4.546 -0.738 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.016 -3.878 -3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.023 -6.083 -3.684 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.488 -5.373 -2.174 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.948 -6.780 -0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.814 -7.312 -2.311 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.840 -7.796 -2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.930 -8.831 -1.229 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.186 -8.302 -4.215 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.328 -9.673 -3.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.422 -10.513 -3.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.533 -10.111 -2.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.222 -9.093 -3.470 1.00 0.00 H new ATOM 307 N GLU A 20 -7.623 -5.721 -2.768 1.00 0.00 N ATOM 308 CA GLU A 20 -8.849 -6.274 -3.333 1.00 0.00 C ATOM 309 C GLU A 20 -9.703 -5.169 -3.945 1.00 0.00 C ATOM 310 O GLU A 20 -10.366 -5.373 -4.963 1.00 0.00 O ATOM 311 CB GLU A 20 -9.643 -7.014 -2.256 1.00 0.00 C ATOM 312 CG GLU A 20 -9.314 -8.496 -2.166 1.00 0.00 C ATOM 313 CD GLU A 20 -10.550 -9.373 -2.195 1.00 0.00 C ATOM 314 OE1 GLU A 20 -11.099 -9.658 -1.110 1.00 0.00 O ATOM 315 OE2 GLU A 20 -10.968 -9.775 -3.301 1.00 0.00 O ATOM 0 H GLU A 20 -7.588 -5.726 -1.749 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.577 -6.979 -4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.450 -6.548 -1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.708 -6.899 -2.458 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.660 -8.770 -2.994 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.760 -8.686 -1.246 1.00 0.00 H new ATOM 322 N LEU A 21 -9.681 -3.997 -3.318 1.00 0.00 N ATOM 323 CA LEU A 21 -10.450 -2.855 -3.799 1.00 0.00 C ATOM 324 C LEU A 21 -9.627 -2.024 -4.778 1.00 0.00 C ATOM 325 O LEU A 21 -10.175 -1.356 -5.655 1.00 0.00 O ATOM 326 CB LEU A 21 -10.900 -1.984 -2.624 1.00 0.00 C ATOM 327 CG LEU A 21 -11.671 -0.721 -3.013 1.00 0.00 C ATOM 328 CD1 LEU A 21 -13.168 -0.988 -3.010 1.00 0.00 C ATOM 329 CD2 LEU A 21 -11.330 0.423 -2.069 1.00 0.00 C ATOM 0 H LEU A 21 -9.138 -3.813 -2.474 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.331 -3.232 -4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.526 -2.585 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.021 -1.692 -2.050 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.376 -0.434 -4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.700 -0.079 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.398 -1.777 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.480 -1.300 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.887 1.313 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.597 0.145 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.261 0.631 -2.120 1.00 0.00 H new ATOM 341 N PHE A 22 -8.306 -2.072 -4.623 1.00 0.00 N ATOM 342 CA PHE A 22 -7.404 -1.325 -5.495 1.00 0.00 C ATOM 343 C PHE A 22 -7.659 -1.663 -6.962 1.00 0.00 C ATOM 344 O PHE A 22 -7.423 -0.842 -7.849 1.00 0.00 O ATOM 345 CB PHE A 22 -5.949 -1.628 -5.130 1.00 0.00 C ATOM 346 CG PHE A 22 -5.221 -0.452 -4.542 1.00 0.00 C ATOM 347 CD1 PHE A 22 -5.229 0.777 -5.184 1.00 0.00 C ATOM 348 CD2 PHE A 22 -4.531 -0.575 -3.347 1.00 0.00 C ATOM 349 CE1 PHE A 22 -4.560 1.860 -4.646 1.00 0.00 C ATOM 350 CE2 PHE A 22 -3.860 0.504 -2.804 1.00 0.00 C ATOM 351 CZ PHE A 22 -3.875 1.723 -3.453 1.00 0.00 C ATOM 0 H PHE A 22 -7.837 -2.620 -3.902 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.594 -0.261 -5.352 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.926 -2.453 -4.418 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.421 -1.963 -6.023 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.764 0.889 -6.115 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.517 -1.525 -2.834 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.572 2.812 -5.157 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.324 0.394 -1.873 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.352 2.568 -3.029 1.00 0.00 H new ATOM 361 N SER A 23 -8.145 -2.875 -7.209 1.00 0.00 N ATOM 362 CA SER A 23 -8.435 -3.320 -8.568 1.00 0.00 C ATOM 363 C SER A 23 -9.749 -2.729 -9.067 1.00 0.00 C ATOM 364 O SER A 23 -9.963 -2.598 -10.273 1.00 0.00 O ATOM 365 CB SER A 23 -8.496 -4.848 -8.623 1.00 0.00 C ATOM 366 OG SER A 23 -8.891 -5.390 -7.375 1.00 0.00 O ATOM 0 H SER A 23 -8.346 -3.566 -6.487 1.00 0.00 H new ATOM 0 HA SER A 23 -7.632 -2.970 -9.217 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.198 -5.159 -9.396 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.519 -5.244 -8.902 1.00 0.00 H new ATOM 0 HG SER A 23 -8.923 -6.367 -7.438 1.00 0.00 H new ATOM 372 N GLN A 24 -10.627 -2.371 -8.135 1.00 0.00 N ATOM 373 CA GLN A 24 -11.918 -1.791 -8.482 1.00 0.00 C ATOM 374 C GLN A 24 -11.823 -0.273 -8.567 1.00 0.00 C ATOM 375 O GLN A 24 -12.494 0.357 -9.385 1.00 0.00 O ATOM 376 CB GLN A 24 -12.975 -2.190 -7.450 1.00 0.00 C ATOM 377 CG GLN A 24 -13.521 -3.595 -7.650 1.00 0.00 C ATOM 378 CD GLN A 24 -14.757 -3.863 -6.815 1.00 0.00 C ATOM 379 OE1 GLN A 24 -15.879 -3.841 -7.322 1.00 0.00 O ATOM 380 NE2 GLN A 24 -14.559 -4.119 -5.527 1.00 0.00 N ATOM 0 H GLN A 24 -10.467 -2.473 -7.133 1.00 0.00 H new ATOM 0 HA GLN A 24 -12.212 -2.176 -9.459 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -12.543 -2.116 -6.452 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.800 -1.479 -7.494 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -13.760 -3.742 -8.703 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.749 -4.321 -7.394 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -13.612 -4.127 -5.148 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -15.354 -4.307 -4.916 1.00 0.00 H new ATOM 389 N PHE A 25 -10.984 0.310 -7.718 1.00 0.00 N ATOM 390 CA PHE A 25 -10.800 1.756 -7.698 1.00 0.00 C ATOM 391 C PHE A 25 -10.276 2.252 -9.040 1.00 0.00 C ATOM 392 O PHE A 25 -10.714 3.286 -9.544 1.00 0.00 O ATOM 393 CB PHE A 25 -9.836 2.156 -6.580 1.00 0.00 C ATOM 394 CG PHE A 25 -10.104 3.523 -6.018 1.00 0.00 C ATOM 395 CD1 PHE A 25 -11.348 3.842 -5.500 1.00 0.00 C ATOM 396 CD2 PHE A 25 -9.110 4.489 -6.010 1.00 0.00 C ATOM 397 CE1 PHE A 25 -11.598 5.100 -4.983 1.00 0.00 C ATOM 398 CE2 PHE A 25 -9.353 5.749 -5.494 1.00 0.00 C ATOM 399 CZ PHE A 25 -10.598 6.054 -4.980 1.00 0.00 C ATOM 0 H PHE A 25 -10.421 -0.197 -7.035 1.00 0.00 H new ATOM 0 HA PHE A 25 -11.769 2.219 -7.511 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -9.900 1.423 -5.776 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -8.816 2.122 -6.962 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -12.132 3.099 -5.500 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.135 4.255 -6.411 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -12.573 5.336 -4.582 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.570 6.493 -5.493 1.00 0.00 H new ATOM 0 HZ PHE A 25 -10.790 7.037 -4.576 1.00 0.00 H new ATOM 409 N GLY A 26 -9.336 1.509 -9.616 1.00 0.00 N ATOM 410 CA GLY A 26 -8.771 1.895 -10.896 1.00 0.00 C ATOM 411 C GLY A 26 -7.858 0.836 -11.486 1.00 0.00 C ATOM 412 O GLY A 26 -6.948 1.153 -12.251 1.00 0.00 O ATOM 0 H GLY A 26 -8.956 0.649 -9.220 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.580 2.100 -11.597 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.211 2.822 -10.775 1.00 0.00 H new ATOM 416 N LYS A 27 -8.102 -0.423 -11.135 1.00 0.00 N ATOM 417 CA LYS A 27 -7.296 -1.531 -11.639 1.00 0.00 C ATOM 418 C LYS A 27 -5.818 -1.335 -11.306 1.00 0.00 C ATOM 419 O LYS A 27 -5.158 -0.452 -11.854 1.00 0.00 O ATOM 420 CB LYS A 27 -7.474 -1.669 -13.152 1.00 0.00 C ATOM 421 CG LYS A 27 -7.493 -3.111 -13.632 1.00 0.00 C ATOM 422 CD LYS A 27 -7.346 -3.198 -15.143 1.00 0.00 C ATOM 423 CE LYS A 27 -8.234 -4.284 -15.729 1.00 0.00 C ATOM 424 NZ LYS A 27 -8.835 -3.871 -17.026 1.00 0.00 N ATOM 0 H LYS A 27 -8.852 -0.702 -10.503 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.638 -2.444 -11.151 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.405 -1.184 -13.446 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.666 -1.138 -13.655 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.685 -3.665 -13.154 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.427 -3.584 -13.328 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.602 -2.237 -15.590 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.306 -3.401 -15.397 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.649 -5.192 -15.873 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.028 -4.525 -15.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.433 -4.639 -17.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.414 -3.019 -16.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.078 -3.666 -17.710 1.00 0.00 H new ATOM 438 N VAL A 28 -5.303 -2.170 -10.409 1.00 0.00 N ATOM 439 CA VAL A 28 -3.904 -2.090 -10.008 1.00 0.00 C ATOM 440 C VAL A 28 -3.054 -3.081 -10.797 1.00 0.00 C ATOM 441 O VAL A 28 -3.399 -4.257 -10.914 1.00 0.00 O ATOM 442 CB VAL A 28 -3.734 -2.360 -8.500 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.214 -3.761 -8.146 1.00 0.00 C ATOM 444 CG2 VAL A 28 -2.285 -2.160 -8.077 1.00 0.00 C ATOM 0 H VAL A 28 -5.833 -2.909 -9.947 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.567 -1.076 -10.222 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.348 -1.644 -7.954 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.085 -3.931 -7.077 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.268 -3.861 -8.405 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.633 -4.496 -8.703 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.187 -2.356 -7.009 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.646 -2.847 -8.632 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.983 -1.134 -8.287 1.00 0.00 H new ATOM 454 N PHE A 29 -1.941 -2.597 -11.340 1.00 0.00 N ATOM 455 CA PHE A 29 -1.042 -3.439 -12.122 1.00 0.00 C ATOM 456 C PHE A 29 -0.527 -4.609 -11.289 1.00 0.00 C ATOM 457 O PHE A 29 -0.474 -5.744 -11.762 1.00 0.00 O ATOM 458 CB PHE A 29 0.134 -2.614 -12.646 1.00 0.00 C ATOM 459 CG PHE A 29 -0.236 -1.693 -13.774 1.00 0.00 C ATOM 460 CD1 PHE A 29 -0.400 -2.182 -15.060 1.00 0.00 C ATOM 461 CD2 PHE A 29 -0.420 -0.338 -13.547 1.00 0.00 C ATOM 462 CE1 PHE A 29 -0.741 -1.336 -16.099 1.00 0.00 C ATOM 463 CE2 PHE A 29 -0.760 0.512 -14.582 1.00 0.00 C ATOM 464 CZ PHE A 29 -0.921 0.012 -15.860 1.00 0.00 C ATOM 0 H PHE A 29 -1.640 -1.626 -11.253 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.603 -3.839 -12.967 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.548 -2.025 -11.827 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.921 -3.290 -12.982 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.260 -3.235 -15.253 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.296 0.058 -12.550 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.867 -1.729 -17.097 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.900 1.566 -14.392 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.187 0.674 -16.670 1.00 0.00 H new ATOM 474 N ASN A 30 -0.147 -4.325 -10.047 1.00 0.00 N ATOM 475 CA ASN A 30 0.365 -5.356 -9.151 1.00 0.00 C ATOM 476 C ASN A 30 0.529 -4.815 -7.734 1.00 0.00 C ATOM 477 O ASN A 30 0.484 -3.605 -7.511 1.00 0.00 O ATOM 478 CB ASN A 30 1.703 -5.889 -9.669 1.00 0.00 C ATOM 479 CG ASN A 30 1.623 -7.345 -10.087 1.00 0.00 C ATOM 480 OD1 ASN A 30 0.588 -7.810 -10.562 1.00 0.00 O ATOM 481 ND2 ASN A 30 2.720 -8.073 -9.911 1.00 0.00 N ATOM 0 H ASN A 30 -0.184 -3.391 -9.639 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.357 -6.172 -9.124 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.026 -5.287 -10.518 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.460 -5.778 -8.893 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.726 -9.059 -10.174 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.557 -7.646 -9.513 1.00 0.00 H new ATOM 488 N VAL A 31 0.719 -5.721 -6.780 1.00 0.00 N ATOM 489 CA VAL A 31 0.891 -5.338 -5.383 1.00 0.00 C ATOM 490 C VAL A 31 1.843 -6.290 -4.668 1.00 0.00 C ATOM 491 O VAL A 31 1.620 -7.501 -4.641 1.00 0.00 O ATOM 492 CB VAL A 31 -0.460 -5.313 -4.639 1.00 0.00 C ATOM 493 CG1 VAL A 31 -1.098 -6.694 -4.639 1.00 0.00 C ATOM 494 CG2 VAL A 31 -0.280 -4.800 -3.217 1.00 0.00 C ATOM 0 H VAL A 31 0.758 -6.726 -6.949 1.00 0.00 H new ATOM 0 HA VAL A 31 1.316 -4.335 -5.376 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.128 -4.630 -5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.050 -6.655 -4.109 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.267 -7.017 -5.666 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.435 -7.401 -4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.244 -4.790 -2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.407 -5.453 -2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.127 -3.789 -3.244 1.00 0.00 H new ATOM 504 N LYS A 32 2.905 -5.739 -4.090 1.00 0.00 N ATOM 505 CA LYS A 32 3.890 -6.543 -3.377 1.00 0.00 C ATOM 506 C LYS A 32 4.219 -5.932 -2.019 1.00 0.00 C ATOM 507 O LYS A 32 3.756 -4.839 -1.689 1.00 0.00 O ATOM 508 CB LYS A 32 5.167 -6.679 -4.209 1.00 0.00 C ATOM 509 CG LYS A 32 4.979 -7.489 -5.482 1.00 0.00 C ATOM 510 CD LYS A 32 5.994 -7.100 -6.545 1.00 0.00 C ATOM 511 CE LYS A 32 5.637 -5.773 -7.201 1.00 0.00 C ATOM 512 NZ LYS A 32 5.545 -5.892 -8.682 1.00 0.00 N ATOM 0 H LYS A 32 3.105 -4.739 -4.101 1.00 0.00 H new ATOM 0 HA LYS A 32 3.461 -7.532 -3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.528 -5.684 -4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.940 -7.148 -3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.076 -8.551 -5.256 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.971 -7.335 -5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.984 -7.029 -6.095 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.044 -7.880 -7.304 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.686 -5.417 -6.806 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.388 -5.027 -6.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.806 -5.252 -9.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.458 -5.636 -9.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.307 -6.872 -8.937 1.00 0.00 H new ATOM 526 N LEU A 33 5.022 -6.644 -1.235 1.00 0.00 N ATOM 527 CA LEU A 33 5.417 -6.177 0.088 1.00 0.00 C ATOM 528 C LEU A 33 6.857 -6.573 0.393 1.00 0.00 C ATOM 529 O LEU A 33 7.399 -7.496 -0.214 1.00 0.00 O ATOM 530 CB LEU A 33 4.481 -6.750 1.154 1.00 0.00 C ATOM 531 CG LEU A 33 3.117 -6.059 1.256 1.00 0.00 C ATOM 532 CD1 LEU A 33 1.995 -7.087 1.266 1.00 0.00 C ATOM 533 CD2 LEU A 33 3.053 -5.185 2.499 1.00 0.00 C ATOM 0 H LEU A 33 5.413 -7.550 -1.495 1.00 0.00 H new ATOM 0 HA LEU A 33 5.346 -5.089 0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.321 -7.808 0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.977 -6.688 2.123 1.00 0.00 H new ATOM 0 HG LEU A 33 2.989 -5.422 0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.035 -6.577 1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.027 -7.670 0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.118 -7.752 2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.077 -4.702 2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.204 -5.801 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.832 -4.424 2.449 1.00 0.00 H new ATOM 545 N ILE A 34 7.473 -5.868 1.335 1.00 0.00 N ATOM 546 CA ILE A 34 8.851 -6.145 1.718 1.00 0.00 C ATOM 547 C ILE A 34 8.919 -7.252 2.765 1.00 0.00 C ATOM 548 O ILE A 34 7.894 -7.803 3.169 1.00 0.00 O ATOM 549 CB ILE A 34 9.542 -4.885 2.270 1.00 0.00 C ATOM 550 CG1 ILE A 34 8.788 -4.360 3.493 1.00 0.00 C ATOM 551 CG2 ILE A 34 9.629 -3.814 1.193 1.00 0.00 C ATOM 552 CD1 ILE A 34 9.391 -4.798 4.806 1.00 0.00 C ATOM 0 H ILE A 34 7.039 -5.100 1.847 1.00 0.00 H new ATOM 0 HA ILE A 34 9.372 -6.471 0.818 1.00 0.00 H new ATOM 0 HB ILE A 34 10.555 -5.147 2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.767 -3.271 3.457 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.754 -4.700 3.446 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.120 -2.929 1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.204 -4.193 0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.625 -3.551 0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.806 -4.389 5.630 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.387 -5.886 4.863 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.416 -4.435 4.875 1.00 0.00 H new ATOM 564 N TYR A 35 10.132 -7.571 3.204 1.00 0.00 N ATOM 565 CA TYR A 35 10.334 -8.611 4.205 1.00 0.00 C ATOM 566 C TYR A 35 11.671 -8.429 4.917 1.00 0.00 C ATOM 567 O TYR A 35 12.508 -7.632 4.494 1.00 0.00 O ATOM 568 CB TYR A 35 10.274 -9.994 3.555 1.00 0.00 C ATOM 569 CG TYR A 35 8.911 -10.346 3.005 1.00 0.00 C ATOM 570 CD1 TYR A 35 7.812 -10.469 3.847 1.00 0.00 C ATOM 571 CD2 TYR A 35 8.721 -10.555 1.644 1.00 0.00 C ATOM 572 CE1 TYR A 35 6.563 -10.790 3.348 1.00 0.00 C ATOM 573 CE2 TYR A 35 7.477 -10.876 1.139 1.00 0.00 C ATOM 574 CZ TYR A 35 6.401 -10.992 1.994 1.00 0.00 C ATOM 575 OH TYR A 35 5.160 -11.312 1.494 1.00 0.00 O ATOM 0 H TYR A 35 10.990 -7.124 2.882 1.00 0.00 H new ATOM 0 HA TYR A 35 9.536 -8.529 4.942 1.00 0.00 H new ATOM 0 HB2 TYR A 35 11.005 -10.039 2.748 1.00 0.00 H new ATOM 0 HB3 TYR A 35 10.565 -10.745 4.290 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.936 -10.311 4.908 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.560 -10.465 0.971 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.719 -10.882 4.015 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.347 -11.036 0.079 1.00 0.00 H new ATOM 0 HH TYR A 35 5.217 -11.420 0.522 1.00 0.00 H new ATOM 585 N ASP A 36 11.865 -9.175 6.001 1.00 0.00 N ATOM 586 CA ASP A 36 13.100 -9.096 6.771 1.00 0.00 C ATOM 587 C ASP A 36 14.159 -10.034 6.201 1.00 0.00 C ATOM 588 O ASP A 36 13.834 -11.057 5.597 1.00 0.00 O ATOM 589 CB ASP A 36 12.835 -9.439 8.237 1.00 0.00 C ATOM 590 CG ASP A 36 13.663 -8.598 9.189 1.00 0.00 C ATOM 591 OD1 ASP A 36 13.946 -7.428 8.853 1.00 0.00 O ATOM 592 OD2 ASP A 36 14.031 -9.109 10.267 1.00 0.00 O ATOM 0 H ASP A 36 11.183 -9.840 6.365 1.00 0.00 H new ATOM 0 HA ASP A 36 13.473 -8.074 6.706 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.777 -9.294 8.455 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.053 -10.494 8.405 1.00 0.00 H new ATOM 597 N ARG A 37 15.424 -9.679 6.395 1.00 0.00 N ATOM 598 CA ARG A 37 16.530 -10.490 5.899 1.00 0.00 C ATOM 599 C ARG A 37 17.071 -11.402 6.997 1.00 0.00 C ATOM 600 O ARG A 37 18.282 -11.574 7.136 1.00 0.00 O ATOM 601 CB ARG A 37 17.649 -9.593 5.367 1.00 0.00 C ATOM 602 CG ARG A 37 18.351 -10.158 4.142 1.00 0.00 C ATOM 603 CD ARG A 37 19.054 -9.068 3.350 1.00 0.00 C ATOM 604 NE ARG A 37 19.493 -9.541 2.039 1.00 0.00 N ATOM 605 CZ ARG A 37 20.419 -8.930 1.304 1.00 0.00 C ATOM 606 NH1 ARG A 37 21.002 -7.821 1.745 1.00 0.00 N ATOM 607 NH2 ARG A 37 20.762 -9.427 0.123 1.00 0.00 N ATOM 0 H ARG A 37 15.709 -8.835 6.892 1.00 0.00 H new ATOM 0 HA ARG A 37 16.156 -11.112 5.086 1.00 0.00 H new ATOM 0 HB2 ARG A 37 17.234 -8.616 5.119 1.00 0.00 H new ATOM 0 HB3 ARG A 37 18.384 -9.436 6.157 1.00 0.00 H new ATOM 0 HG2 ARG A 37 19.077 -10.910 4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 37 17.624 -10.661 3.504 1.00 0.00 H new ATOM 0 HD2 ARG A 37 18.380 -8.220 3.223 1.00 0.00 H new ATOM 0 HD3 ARG A 37 19.915 -8.709 3.913 1.00 0.00 H new ATOM 0 HE ARG A 37 19.065 -10.388 1.666 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.741 -7.433 2.651 1.00 0.00 H new ATOM 0 HH12 ARG A 37 21.711 -7.357 1.177 1.00 0.00 H new ATOM 0 HH21 ARG A 37 20.316 -10.277 -0.222 1.00 0.00 H new ATOM 0 HH22 ARG A 37 21.472 -8.959 -0.441 1.00 0.00 H new ATOM 621 N GLU A 38 16.164 -11.985 7.774 1.00 0.00 N ATOM 622 CA GLU A 38 16.549 -12.880 8.859 1.00 0.00 C ATOM 623 C GLU A 38 15.364 -13.732 9.305 1.00 0.00 C ATOM 624 O GLU A 38 15.495 -14.940 9.503 1.00 0.00 O ATOM 625 CB GLU A 38 17.091 -12.076 10.044 1.00 0.00 C ATOM 626 CG GLU A 38 18.609 -12.030 10.103 1.00 0.00 C ATOM 627 CD GLU A 38 19.170 -10.693 9.662 1.00 0.00 C ATOM 628 OE1 GLU A 38 18.569 -9.654 10.006 1.00 0.00 O ATOM 629 OE2 GLU A 38 20.210 -10.685 8.972 1.00 0.00 O ATOM 0 H GLU A 38 15.158 -11.854 7.672 1.00 0.00 H new ATOM 0 HA GLU A 38 17.333 -13.543 8.491 1.00 0.00 H new ATOM 0 HB2 GLU A 38 16.707 -11.058 9.988 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.712 -12.509 10.970 1.00 0.00 H new ATOM 0 HG2 GLU A 38 18.936 -12.238 11.122 1.00 0.00 H new ATOM 0 HG3 GLU A 38 19.017 -12.818 9.470 1.00 0.00 H new ATOM 636 N THR A 39 14.209 -13.094 9.461 1.00 0.00 N ATOM 637 CA THR A 39 12.999 -13.791 9.883 1.00 0.00 C ATOM 638 C THR A 39 12.002 -13.918 8.731 1.00 0.00 C ATOM 639 O THR A 39 11.014 -14.646 8.836 1.00 0.00 O ATOM 640 CB THR A 39 12.348 -13.057 11.056 1.00 0.00 C ATOM 641 OG1 THR A 39 12.551 -11.659 10.948 1.00 0.00 O ATOM 642 CG2 THR A 39 12.876 -13.495 12.404 1.00 0.00 C ATOM 0 H THR A 39 14.085 -12.094 9.301 1.00 0.00 H new ATOM 0 HA THR A 39 13.284 -14.794 10.199 1.00 0.00 H new ATOM 0 HB THR A 39 11.289 -13.308 11.001 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.126 -11.207 11.707 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.372 -12.935 13.192 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.689 -14.560 12.539 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.948 -13.306 12.454 1.00 0.00 H new ATOM 650 N LYS A 40 12.260 -13.207 7.636 1.00 0.00 N ATOM 651 CA LYS A 40 11.380 -13.246 6.474 1.00 0.00 C ATOM 652 C LYS A 40 9.995 -12.713 6.824 1.00 0.00 C ATOM 653 O LYS A 40 8.992 -13.136 6.248 1.00 0.00 O ATOM 654 CB LYS A 40 11.269 -14.674 5.936 1.00 0.00 C ATOM 655 CG LYS A 40 12.598 -15.258 5.480 1.00 0.00 C ATOM 656 CD LYS A 40 13.178 -16.204 6.518 1.00 0.00 C ATOM 657 CE LYS A 40 14.695 -16.123 6.558 1.00 0.00 C ATOM 658 NZ LYS A 40 15.301 -17.341 7.166 1.00 0.00 N ATOM 0 H LYS A 40 13.071 -12.598 7.530 1.00 0.00 H new ATOM 0 HA LYS A 40 11.812 -12.609 5.702 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.847 -15.314 6.711 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.571 -14.685 5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.459 -15.790 4.539 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.304 -14.450 5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.773 -15.960 7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.873 -17.226 6.292 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.078 -15.993 5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.997 -15.244 7.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.337 -17.246 7.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.955 -17.451 8.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.035 -18.177 6.608 1.00 0.00 H new ATOM 672 N LYS A 41 9.947 -11.781 7.770 1.00 0.00 N ATOM 673 CA LYS A 41 8.694 -11.188 8.199 1.00 0.00 C ATOM 674 C LYS A 41 8.591 -9.748 7.689 1.00 0.00 C ATOM 675 O LYS A 41 9.582 -9.020 7.664 1.00 0.00 O ATOM 676 CB LYS A 41 8.606 -11.242 9.731 1.00 0.00 C ATOM 677 CG LYS A 41 7.713 -10.178 10.349 1.00 0.00 C ATOM 678 CD LYS A 41 6.668 -10.786 11.272 1.00 0.00 C ATOM 679 CE LYS A 41 7.065 -10.645 12.733 1.00 0.00 C ATOM 680 NZ LYS A 41 6.634 -9.339 13.302 1.00 0.00 N ATOM 0 H LYS A 41 10.769 -11.421 8.254 1.00 0.00 H new ATOM 0 HA LYS A 41 7.858 -11.750 7.782 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.237 -12.224 10.027 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.610 -11.141 10.144 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.324 -9.470 10.908 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.217 -9.615 9.558 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.707 -10.299 11.106 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.537 -11.841 11.030 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.621 -11.456 13.310 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.147 -10.742 12.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.924 -9.282 14.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.077 -8.564 12.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.599 -9.256 13.237 1.00 0.00 H new ATOM 694 N PRO A 42 7.385 -9.319 7.274 1.00 0.00 N ATOM 695 CA PRO A 42 7.163 -7.961 6.766 1.00 0.00 C ATOM 696 C PRO A 42 7.370 -6.900 7.840 1.00 0.00 C ATOM 697 O PRO A 42 6.638 -6.851 8.828 1.00 0.00 O ATOM 698 CB PRO A 42 5.703 -7.980 6.305 1.00 0.00 C ATOM 699 CG PRO A 42 5.072 -9.086 7.079 1.00 0.00 C ATOM 700 CD PRO A 42 6.147 -10.119 7.270 1.00 0.00 C ATOM 0 HA PRO A 42 7.867 -7.705 5.974 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.213 -7.027 6.506 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.630 -8.157 5.232 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.699 -8.728 8.039 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.220 -9.503 6.541 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.018 -10.666 8.204 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.146 -10.855 6.466 1.00 0.00 H new ATOM 708 N LYS A 43 8.374 -6.051 7.639 1.00 0.00 N ATOM 709 CA LYS A 43 8.681 -4.987 8.590 1.00 0.00 C ATOM 710 C LYS A 43 7.469 -4.091 8.818 1.00 0.00 C ATOM 711 O LYS A 43 6.893 -4.075 9.906 1.00 0.00 O ATOM 712 CB LYS A 43 9.861 -4.153 8.089 1.00 0.00 C ATOM 713 CG LYS A 43 11.057 -4.988 7.659 1.00 0.00 C ATOM 714 CD LYS A 43 12.294 -4.128 7.459 1.00 0.00 C ATOM 715 CE LYS A 43 13.128 -4.617 6.286 1.00 0.00 C ATOM 716 NZ LYS A 43 14.040 -3.557 5.773 1.00 0.00 N ATOM 0 H LYS A 43 8.989 -6.079 6.826 1.00 0.00 H new ATOM 0 HA LYS A 43 8.949 -5.450 9.540 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.533 -3.543 7.247 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.172 -3.468 8.878 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.260 -5.750 8.412 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.822 -5.511 6.732 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.996 -3.094 7.289 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.898 -4.140 8.366 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.714 -5.483 6.593 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.468 -4.947 5.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.591 -3.930 4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.479 -2.740 5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.687 -3.259 6.531 1.00 0.00 H new ATOM 730 N GLY A 44 7.084 -3.345 7.787 1.00 0.00 N ATOM 731 CA GLY A 44 5.940 -2.459 7.904 1.00 0.00 C ATOM 732 C GLY A 44 5.838 -1.475 6.754 1.00 0.00 C ATOM 733 O GLY A 44 5.728 -0.269 6.973 1.00 0.00 O ATOM 0 H GLY A 44 7.542 -3.338 6.876 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.028 -3.055 7.948 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.007 -1.908 8.842 1.00 0.00 H new ATOM 737 N PHE A 45 5.867 -1.988 5.528 1.00 0.00 N ATOM 738 CA PHE A 45 5.770 -1.141 4.343 1.00 0.00 C ATOM 739 C PHE A 45 5.777 -1.979 3.068 1.00 0.00 C ATOM 740 O PHE A 45 6.481 -2.985 2.976 1.00 0.00 O ATOM 741 CB PHE A 45 6.918 -0.129 4.311 1.00 0.00 C ATOM 742 CG PHE A 45 8.277 -0.756 4.185 1.00 0.00 C ATOM 743 CD1 PHE A 45 8.888 -1.343 5.281 1.00 0.00 C ATOM 744 CD2 PHE A 45 8.944 -0.755 2.971 1.00 0.00 C ATOM 745 CE1 PHE A 45 10.140 -1.918 5.168 1.00 0.00 C ATOM 746 CE2 PHE A 45 10.196 -1.327 2.852 1.00 0.00 C ATOM 747 CZ PHE A 45 10.795 -1.910 3.952 1.00 0.00 C ATOM 0 H PHE A 45 5.957 -2.984 5.329 1.00 0.00 H new ATOM 0 HA PHE A 45 4.824 -0.602 4.395 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.765 0.554 3.475 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.888 0.470 5.221 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.381 -1.351 6.234 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.480 -0.302 2.107 1.00 0.00 H new ATOM 0 HE1 PHE A 45 10.606 -2.373 6.030 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.706 -1.318 1.900 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.773 -2.359 3.861 1.00 0.00 H new ATOM 757 N GLY A 46 4.986 -1.558 2.086 1.00 0.00 N ATOM 758 CA GLY A 46 4.913 -2.280 0.830 1.00 0.00 C ATOM 759 C GLY A 46 4.971 -1.358 -0.373 1.00 0.00 C ATOM 760 O GLY A 46 5.305 -0.180 -0.245 1.00 0.00 O ATOM 0 H GLY A 46 4.394 -0.729 2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.735 -2.994 0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.988 -2.856 0.799 1.00 0.00 H new ATOM 764 N PHE A 47 4.646 -1.896 -1.545 1.00 0.00 N ATOM 765 CA PHE A 47 4.664 -1.113 -2.775 1.00 0.00 C ATOM 766 C PHE A 47 3.501 -1.500 -3.685 1.00 0.00 C ATOM 767 O PHE A 47 3.044 -2.643 -3.672 1.00 0.00 O ATOM 768 CB PHE A 47 5.993 -1.310 -3.508 1.00 0.00 C ATOM 769 CG PHE A 47 6.813 -0.055 -3.613 1.00 0.00 C ATOM 770 CD1 PHE A 47 6.314 1.062 -4.263 1.00 0.00 C ATOM 771 CD2 PHE A 47 8.083 0.007 -3.060 1.00 0.00 C ATOM 772 CE1 PHE A 47 7.065 2.218 -4.361 1.00 0.00 C ATOM 773 CE2 PHE A 47 8.839 1.159 -3.155 1.00 0.00 C ATOM 774 CZ PHE A 47 8.330 2.266 -3.807 1.00 0.00 C ATOM 0 H PHE A 47 4.368 -2.869 -1.668 1.00 0.00 H new ATOM 0 HA PHE A 47 4.556 -0.061 -2.510 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.575 -2.072 -2.990 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.793 -1.689 -4.510 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.326 1.029 -4.698 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.486 -0.855 -2.549 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.664 3.082 -4.870 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.827 1.195 -2.720 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.920 3.167 -3.883 1.00 0.00 H new ATOM 784 N VAL A 48 3.030 -0.540 -4.473 1.00 0.00 N ATOM 785 CA VAL A 48 1.923 -0.780 -5.392 1.00 0.00 C ATOM 786 C VAL A 48 2.231 -0.221 -6.776 1.00 0.00 C ATOM 787 O VAL A 48 2.992 0.738 -6.914 1.00 0.00 O ATOM 788 CB VAL A 48 0.617 -0.149 -4.876 1.00 0.00 C ATOM 789 CG1 VAL A 48 -0.566 -0.604 -5.718 1.00 0.00 C ATOM 790 CG2 VAL A 48 0.400 -0.492 -3.409 1.00 0.00 C ATOM 0 H VAL A 48 3.397 0.411 -4.494 1.00 0.00 H new ATOM 0 HA VAL A 48 1.794 -1.860 -5.458 1.00 0.00 H new ATOM 0 HB VAL A 48 0.700 0.934 -4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.480 -0.148 -5.338 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.413 -0.302 -6.754 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.654 -1.689 -5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.528 -0.037 -3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.339 -1.574 -3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.233 -0.111 -2.819 1.00 0.00 H new ATOM 800 N GLU A 49 1.636 -0.824 -7.800 1.00 0.00 N ATOM 801 CA GLU A 49 1.849 -0.384 -9.173 1.00 0.00 C ATOM 802 C GLU A 49 0.545 0.102 -9.798 1.00 0.00 C ATOM 803 O GLU A 49 -0.321 -0.697 -10.155 1.00 0.00 O ATOM 804 CB GLU A 49 2.436 -1.522 -10.009 1.00 0.00 C ATOM 805 CG GLU A 49 3.045 -1.062 -11.323 1.00 0.00 C ATOM 806 CD GLU A 49 4.222 -1.915 -11.753 1.00 0.00 C ATOM 807 OE1 GLU A 49 3.999 -3.083 -12.135 1.00 0.00 O ATOM 808 OE2 GLU A 49 5.365 -1.415 -11.707 1.00 0.00 O ATOM 0 H GLU A 49 1.003 -1.618 -7.705 1.00 0.00 H new ATOM 0 HA GLU A 49 2.554 0.447 -9.157 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.200 -2.034 -9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.652 -2.250 -10.217 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.281 -1.085 -12.100 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.369 -0.026 -11.226 1.00 0.00 H new ATOM 815 N MET A 50 0.412 1.419 -9.928 1.00 0.00 N ATOM 816 CA MET A 50 -0.786 2.013 -10.511 1.00 0.00 C ATOM 817 C MET A 50 -0.426 3.198 -11.402 1.00 0.00 C ATOM 818 O MET A 50 0.506 3.947 -11.110 1.00 0.00 O ATOM 819 CB MET A 50 -1.745 2.463 -9.408 1.00 0.00 C ATOM 820 CG MET A 50 -2.548 1.324 -8.799 1.00 0.00 C ATOM 821 SD MET A 50 -4.328 1.534 -9.007 1.00 0.00 S ATOM 822 CE MET A 50 -4.578 3.115 -8.202 1.00 0.00 C ATOM 0 H MET A 50 1.119 2.094 -9.637 1.00 0.00 H new ATOM 0 HA MET A 50 -1.276 1.256 -11.123 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.175 2.956 -8.621 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.433 3.204 -9.816 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.242 0.384 -9.258 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.317 1.250 -7.736 1.00 0.00 H new ATOM 0 HE1 MET A 50 -5.639 3.253 -7.993 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.018 3.140 -7.267 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.230 3.915 -8.855 1.00 0.00 H new ATOM 832 N GLN A 51 -1.172 3.361 -12.491 1.00 0.00 N ATOM 833 CA GLN A 51 -0.933 4.454 -13.428 1.00 0.00 C ATOM 834 C GLN A 51 -0.971 5.804 -12.718 1.00 0.00 C ATOM 835 O GLN A 51 -1.721 5.992 -11.761 1.00 0.00 O ATOM 836 CB GLN A 51 -1.974 4.427 -14.550 1.00 0.00 C ATOM 837 CG GLN A 51 -3.397 4.645 -14.064 1.00 0.00 C ATOM 838 CD GLN A 51 -4.112 3.346 -13.748 1.00 0.00 C ATOM 839 OE1 GLN A 51 -3.479 2.329 -13.464 1.00 0.00 O ATOM 840 NE2 GLN A 51 -5.438 3.373 -13.796 1.00 0.00 N ATOM 0 H GLN A 51 -1.948 2.750 -12.746 1.00 0.00 H new ATOM 0 HA GLN A 51 0.060 4.319 -13.856 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.727 5.196 -15.282 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.917 3.467 -15.064 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.380 5.272 -13.173 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.958 5.188 -14.825 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.922 4.238 -14.036 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.973 2.529 -13.593 1.00 0.00 H new ATOM 849 N GLU A 52 -0.155 6.738 -13.194 1.00 0.00 N ATOM 850 CA GLU A 52 -0.092 8.072 -12.606 1.00 0.00 C ATOM 851 C GLU A 52 -1.374 8.850 -12.881 1.00 0.00 C ATOM 852 O GLU A 52 -1.512 9.500 -13.917 1.00 0.00 O ATOM 853 CB GLU A 52 1.112 8.840 -13.156 1.00 0.00 C ATOM 854 CG GLU A 52 1.082 9.019 -14.666 1.00 0.00 C ATOM 855 CD GLU A 52 2.465 9.210 -15.257 1.00 0.00 C ATOM 856 OE1 GLU A 52 2.997 10.337 -15.170 1.00 0.00 O ATOM 857 OE2 GLU A 52 3.015 8.234 -15.808 1.00 0.00 O ATOM 0 H GLU A 52 0.472 6.596 -13.986 1.00 0.00 H new ATOM 0 HA GLU A 52 0.019 7.960 -11.528 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.153 9.821 -12.683 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.025 8.314 -12.879 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.613 8.147 -15.122 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.463 9.881 -14.914 1.00 0.00 H new ATOM 864 N GLU A 53 -2.308 8.778 -11.940 1.00 0.00 N ATOM 865 CA GLU A 53 -3.583 9.473 -12.067 1.00 0.00 C ATOM 866 C GLU A 53 -4.381 9.360 -10.775 1.00 0.00 C ATOM 867 O GLU A 53 -4.868 10.357 -10.241 1.00 0.00 O ATOM 868 CB GLU A 53 -4.389 8.897 -13.233 1.00 0.00 C ATOM 869 CG GLU A 53 -5.370 9.886 -13.842 1.00 0.00 C ATOM 870 CD GLU A 53 -4.682 10.965 -14.655 1.00 0.00 C ATOM 871 OE1 GLU A 53 -4.063 11.863 -14.048 1.00 0.00 O ATOM 872 OE2 GLU A 53 -4.761 10.910 -15.900 1.00 0.00 O ATOM 0 H GLU A 53 -2.205 8.243 -11.078 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.383 10.526 -12.264 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.701 8.557 -14.007 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.937 8.021 -12.887 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.073 9.349 -14.479 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.952 10.351 -13.046 1.00 0.00 H new ATOM 879 N SER A 54 -4.501 8.136 -10.273 1.00 0.00 N ATOM 880 CA SER A 54 -5.230 7.882 -9.038 1.00 0.00 C ATOM 881 C SER A 54 -4.302 7.970 -7.828 1.00 0.00 C ATOM 882 O SER A 54 -4.757 8.149 -6.699 1.00 0.00 O ATOM 883 CB SER A 54 -5.893 6.503 -9.087 1.00 0.00 C ATOM 884 OG SER A 54 -6.075 6.073 -10.425 1.00 0.00 O ATOM 0 H SER A 54 -4.101 7.303 -10.704 1.00 0.00 H new ATOM 0 HA SER A 54 -6.001 8.646 -8.938 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.278 5.781 -8.550 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.857 6.541 -8.579 1.00 0.00 H new ATOM 0 HG SER A 54 -6.498 5.189 -10.430 1.00 0.00 H new ATOM 890 N VAL A 55 -2.999 7.842 -8.069 1.00 0.00 N ATOM 891 CA VAL A 55 -2.014 7.907 -6.995 1.00 0.00 C ATOM 892 C VAL A 55 -2.089 9.239 -6.257 1.00 0.00 C ATOM 893 O VAL A 55 -2.124 9.278 -5.028 1.00 0.00 O ATOM 894 CB VAL A 55 -0.583 7.711 -7.532 1.00 0.00 C ATOM 895 CG1 VAL A 55 0.403 7.565 -6.384 1.00 0.00 C ATOM 896 CG2 VAL A 55 -0.519 6.505 -8.456 1.00 0.00 C ATOM 0 H VAL A 55 -2.603 7.693 -8.997 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.249 7.098 -6.303 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.307 8.595 -8.107 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.408 7.427 -6.783 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.377 8.463 -5.766 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.131 6.700 -5.779 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.499 6.383 -8.825 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.816 5.611 -7.908 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.194 6.656 -9.298 1.00 0.00 H new ATOM 906 N SER A 56 -2.115 10.329 -7.016 1.00 0.00 N ATOM 907 CA SER A 56 -2.185 11.666 -6.435 1.00 0.00 C ATOM 908 C SER A 56 -3.479 11.854 -5.647 1.00 0.00 C ATOM 909 O SER A 56 -3.552 12.692 -4.748 1.00 0.00 O ATOM 910 CB SER A 56 -2.084 12.727 -7.532 1.00 0.00 C ATOM 911 OG SER A 56 -1.540 13.933 -7.027 1.00 0.00 O ATOM 0 H SER A 56 -2.089 10.314 -8.036 1.00 0.00 H new ATOM 0 HA SER A 56 -1.345 11.780 -5.749 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.460 12.356 -8.345 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.072 12.917 -7.950 1.00 0.00 H new ATOM 0 HG SER A 56 -1.485 14.594 -7.748 1.00 0.00 H new ATOM 917 N GLU A 57 -4.495 11.068 -5.988 1.00 0.00 N ATOM 918 CA GLU A 57 -5.783 11.147 -5.310 1.00 0.00 C ATOM 919 C GLU A 57 -5.821 10.198 -4.120 1.00 0.00 C ATOM 920 O GLU A 57 -6.427 10.498 -3.091 1.00 0.00 O ATOM 921 CB GLU A 57 -6.917 10.813 -6.282 1.00 0.00 C ATOM 922 CG GLU A 57 -8.286 11.266 -5.800 1.00 0.00 C ATOM 923 CD GLU A 57 -9.404 10.370 -6.297 1.00 0.00 C ATOM 924 OE1 GLU A 57 -9.424 10.062 -7.506 1.00 0.00 O ATOM 925 OE2 GLU A 57 -10.259 9.977 -5.475 1.00 0.00 O ATOM 0 H GLU A 57 -4.451 10.369 -6.730 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.917 12.166 -4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.708 11.279 -7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.937 9.736 -6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.296 11.283 -4.710 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.466 12.287 -6.137 1.00 0.00 H new ATOM 932 N ALA A 58 -5.165 9.053 -4.269 1.00 0.00 N ATOM 933 CA ALA A 58 -5.116 8.061 -3.205 1.00 0.00 C ATOM 934 C ALA A 58 -4.412 8.622 -1.976 1.00 0.00 C ATOM 935 O ALA A 58 -5.024 8.800 -0.925 1.00 0.00 O ATOM 936 CB ALA A 58 -4.419 6.799 -3.690 1.00 0.00 C ATOM 0 H ALA A 58 -4.661 8.790 -5.116 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.138 7.807 -2.925 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.390 6.066 -2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.965 6.384 -4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.402 7.041 -3.997 1.00 0.00 H new ATOM 942 N ILE A 59 -3.121 8.904 -2.120 1.00 0.00 N ATOM 943 CA ILE A 59 -2.331 9.450 -1.023 1.00 0.00 C ATOM 944 C ILE A 59 -2.925 10.764 -0.522 1.00 0.00 C ATOM 945 O ILE A 59 -2.790 11.113 0.650 1.00 0.00 O ATOM 946 CB ILE A 59 -0.863 9.683 -1.449 1.00 0.00 C ATOM 947 CG1 ILE A 59 -0.251 8.382 -1.974 1.00 0.00 C ATOM 948 CG2 ILE A 59 -0.040 10.228 -0.289 1.00 0.00 C ATOM 949 CD1 ILE A 59 0.447 8.538 -3.307 1.00 0.00 C ATOM 0 H ILE A 59 -2.600 8.763 -2.986 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.352 8.716 -0.217 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.852 10.424 -2.249 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.462 8.004 -1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.037 7.633 -2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.989 10.383 -0.614 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.463 11.176 0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.056 9.515 0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.857 7.577 -3.618 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.267 8.887 -4.053 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.255 9.263 -3.212 1.00 0.00 H new ATOM 961 N ALA A 60 -3.579 11.491 -1.421 1.00 0.00 N ATOM 962 CA ALA A 60 -4.190 12.768 -1.077 1.00 0.00 C ATOM 963 C ALA A 60 -5.196 12.624 0.061 1.00 0.00 C ATOM 964 O ALA A 60 -5.082 13.289 1.091 1.00 0.00 O ATOM 965 CB ALA A 60 -4.865 13.370 -2.299 1.00 0.00 C ATOM 0 H ALA A 60 -3.699 11.216 -2.396 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.397 13.434 -0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.319 14.324 -2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.124 13.528 -3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.637 12.690 -2.660 1.00 0.00 H new ATOM 971 N LYS A 61 -6.188 11.761 -0.134 1.00 0.00 N ATOM 972 CA LYS A 61 -7.222 11.544 0.873 1.00 0.00 C ATOM 973 C LYS A 61 -6.842 10.425 1.841 1.00 0.00 C ATOM 974 O LYS A 61 -7.308 10.394 2.980 1.00 0.00 O ATOM 975 CB LYS A 61 -8.555 11.215 0.199 1.00 0.00 C ATOM 976 CG LYS A 61 -9.240 12.423 -0.417 1.00 0.00 C ATOM 977 CD LYS A 61 -8.577 12.836 -1.722 1.00 0.00 C ATOM 978 CE LYS A 61 -9.606 13.172 -2.789 1.00 0.00 C ATOM 979 NZ LYS A 61 -9.032 14.024 -3.866 1.00 0.00 N ATOM 0 H LYS A 61 -6.298 11.201 -0.979 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.321 12.466 1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.386 10.469 -0.577 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.223 10.765 0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.290 12.194 -0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.212 13.256 0.286 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.937 13.701 -1.548 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.935 12.030 -2.076 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.993 12.250 -3.223 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.450 13.687 -2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.766 14.230 -4.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.686 14.915 -3.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.243 13.523 -4.322 1.00 0.00 H new ATOM 993 N LEU A 62 -6.004 9.502 1.381 1.00 0.00 N ATOM 994 CA LEU A 62 -5.580 8.379 2.210 1.00 0.00 C ATOM 995 C LEU A 62 -4.543 8.812 3.242 1.00 0.00 C ATOM 996 O LEU A 62 -4.834 8.881 4.437 1.00 0.00 O ATOM 997 CB LEU A 62 -5.006 7.265 1.335 1.00 0.00 C ATOM 998 CG LEU A 62 -6.009 6.601 0.391 1.00 0.00 C ATOM 999 CD1 LEU A 62 -5.292 5.710 -0.610 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -7.034 5.802 1.182 1.00 0.00 C ATOM 0 H LEU A 62 -5.606 9.509 0.442 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.456 8.007 2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.188 7.675 0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.578 6.500 1.982 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.532 7.382 -0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.022 5.246 -1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.597 6.309 -1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.741 4.934 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.741 5.336 0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.526 5.030 1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.571 6.467 1.858 1.00 0.00 H new ATOM 1012 N ASP A 63 -3.331 9.090 2.775 1.00 0.00 N ATOM 1013 CA ASP A 63 -2.244 9.504 3.657 1.00 0.00 C ATOM 1014 C ASP A 63 -2.655 10.695 4.522 1.00 0.00 C ATOM 1015 O ASP A 63 -3.337 11.608 4.058 1.00 0.00 O ATOM 1016 CB ASP A 63 -0.990 9.827 2.826 1.00 0.00 C ATOM 1017 CG ASP A 63 -0.628 11.304 2.815 1.00 0.00 C ATOM 1018 OD1 ASP A 63 -1.505 12.129 2.486 1.00 0.00 O ATOM 1019 OD2 ASP A 63 0.533 11.631 3.136 1.00 0.00 O ATOM 0 H ASP A 63 -3.075 9.036 1.789 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.012 8.680 4.332 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.148 9.258 3.220 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.148 9.493 1.801 1.00 0.00 H new ATOM 1024 N ASN A 64 -2.230 10.676 5.783 1.00 0.00 N ATOM 1025 CA ASN A 64 -2.547 11.749 6.717 1.00 0.00 C ATOM 1026 C ASN A 64 -1.901 11.498 8.076 1.00 0.00 C ATOM 1027 O ASN A 64 -1.409 12.423 8.722 1.00 0.00 O ATOM 1028 CB ASN A 64 -4.063 11.887 6.879 1.00 0.00 C ATOM 1029 CG ASN A 64 -4.463 13.235 7.446 1.00 0.00 C ATOM 1030 OD1 ASN A 64 -4.615 14.211 6.711 1.00 0.00 O ATOM 1031 ND2 ASN A 64 -4.636 13.297 8.761 1.00 0.00 N ATOM 0 H ASN A 64 -1.664 9.926 6.181 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.147 12.677 6.309 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.543 11.746 5.911 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.429 11.097 7.535 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.905 14.178 9.199 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.500 12.464 9.333 1.00 0.00 H new ATOM 1038 N THR A 65 -1.909 10.240 8.504 1.00 0.00 N ATOM 1039 CA THR A 65 -1.324 9.865 9.788 1.00 0.00 C ATOM 1040 C THR A 65 -1.121 8.355 9.872 1.00 0.00 C ATOM 1041 O THR A 65 -1.258 7.644 8.877 1.00 0.00 O ATOM 1042 CB THR A 65 -2.217 10.341 10.939 1.00 0.00 C ATOM 1043 OG1 THR A 65 -3.468 10.794 10.452 1.00 0.00 O ATOM 1044 CG2 THR A 65 -1.604 11.466 11.745 1.00 0.00 C ATOM 0 H THR A 65 -2.314 9.463 7.982 1.00 0.00 H new ATOM 0 HA THR A 65 -0.351 10.348 9.872 1.00 0.00 H new ATOM 0 HB THR A 65 -2.338 9.473 11.587 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.748 11.586 10.957 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.287 11.756 12.544 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.661 11.132 12.178 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.422 12.322 11.095 1.00 0.00 H new ATOM 1052 N ASP A 66 -0.794 7.872 11.066 1.00 0.00 N ATOM 1053 CA ASP A 66 -0.572 6.447 11.279 1.00 0.00 C ATOM 1054 C ASP A 66 -1.731 5.823 12.050 1.00 0.00 C ATOM 1055 O ASP A 66 -2.023 6.219 13.180 1.00 0.00 O ATOM 1056 CB ASP A 66 0.738 6.220 12.036 1.00 0.00 C ATOM 1057 CG ASP A 66 1.938 6.166 11.110 1.00 0.00 C ATOM 1058 OD1 ASP A 66 1.864 6.748 10.008 1.00 0.00 O ATOM 1059 OD2 ASP A 66 2.952 5.541 11.488 1.00 0.00 O ATOM 0 H ASP A 66 -0.677 8.447 11.901 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.508 5.967 10.303 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.878 7.021 12.762 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.673 5.288 12.598 1.00 0.00 H new ATOM 1064 N PHE A 67 -2.387 4.846 11.434 1.00 0.00 N ATOM 1065 CA PHE A 67 -3.514 4.167 12.063 1.00 0.00 C ATOM 1066 C PHE A 67 -3.579 2.706 11.627 1.00 0.00 C ATOM 1067 O PHE A 67 -2.708 2.225 10.904 1.00 0.00 O ATOM 1068 CB PHE A 67 -4.824 4.876 11.714 1.00 0.00 C ATOM 1069 CG PHE A 67 -5.181 5.978 12.669 1.00 0.00 C ATOM 1070 CD1 PHE A 67 -5.784 5.691 13.884 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -4.915 7.300 12.353 1.00 0.00 C ATOM 1072 CE1 PHE A 67 -6.114 6.703 14.764 1.00 0.00 C ATOM 1073 CE2 PHE A 67 -5.243 8.317 13.230 1.00 0.00 C ATOM 1074 CZ PHE A 67 -5.844 8.018 14.438 1.00 0.00 C ATOM 0 H PHE A 67 -2.158 4.506 10.500 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.370 4.199 13.143 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.748 5.288 10.708 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -5.631 4.144 11.698 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.998 4.665 14.145 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.446 7.539 11.410 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -6.583 6.466 15.707 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -5.030 9.344 12.971 1.00 0.00 H new ATOM 0 HZ PHE A 67 -6.102 8.810 15.125 1.00 0.00 H new ATOM 1084 N MET A 68 -4.617 2.005 12.072 1.00 0.00 N ATOM 1085 CA MET A 68 -4.794 0.599 11.729 1.00 0.00 C ATOM 1086 C MET A 68 -5.623 0.446 10.455 1.00 0.00 C ATOM 1087 O MET A 68 -6.582 -0.326 10.415 1.00 0.00 O ATOM 1088 CB MET A 68 -5.464 -0.148 12.883 1.00 0.00 C ATOM 1089 CG MET A 68 -4.592 -0.263 14.122 1.00 0.00 C ATOM 1090 SD MET A 68 -4.554 1.259 15.088 1.00 0.00 S ATOM 1091 CE MET A 68 -2.801 1.622 15.079 1.00 0.00 C ATOM 0 H MET A 68 -5.348 2.388 12.671 1.00 0.00 H new ATOM 0 HA MET A 68 -3.809 0.168 11.550 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.390 0.363 13.147 1.00 0.00 H new ATOM 0 HB3 MET A 68 -5.737 -1.148 12.547 1.00 0.00 H new ATOM 0 HG2 MET A 68 -4.961 -1.076 14.747 1.00 0.00 H new ATOM 0 HG3 MET A 68 -3.577 -0.525 13.824 1.00 0.00 H new ATOM 0 HE1 MET A 68 -2.624 2.575 15.577 1.00 0.00 H new ATOM 0 HE2 MET A 68 -2.263 0.833 15.604 1.00 0.00 H new ATOM 0 HE3 MET A 68 -2.447 1.680 14.050 1.00 0.00 H new ATOM 1101 N GLY A 69 -5.246 1.184 9.416 1.00 0.00 N ATOM 1102 CA GLY A 69 -5.964 1.113 8.157 1.00 0.00 C ATOM 1103 C GLY A 69 -6.977 2.231 7.999 1.00 0.00 C ATOM 1104 O GLY A 69 -8.044 2.030 7.420 1.00 0.00 O ATOM 0 H GLY A 69 -4.456 1.830 9.423 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.251 1.155 7.334 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.475 0.153 8.088 1.00 0.00 H new ATOM 1108 N ARG A 70 -6.643 3.409 8.514 1.00 0.00 N ATOM 1109 CA ARG A 70 -7.535 4.561 8.425 1.00 0.00 C ATOM 1110 C ARG A 70 -6.943 5.643 7.526 1.00 0.00 C ATOM 1111 O ARG A 70 -7.675 6.392 6.878 1.00 0.00 O ATOM 1112 CB ARG A 70 -7.808 5.131 9.819 1.00 0.00 C ATOM 1113 CG ARG A 70 -9.093 4.615 10.446 1.00 0.00 C ATOM 1114 CD ARG A 70 -8.965 3.158 10.862 1.00 0.00 C ATOM 1115 NE ARG A 70 -10.186 2.403 10.591 1.00 0.00 N ATOM 1116 CZ ARG A 70 -11.286 2.480 11.338 1.00 0.00 C ATOM 1117 NH1 ARG A 70 -11.323 3.277 12.398 1.00 0.00 N ATOM 1118 NH2 ARG A 70 -12.352 1.758 11.023 1.00 0.00 N ATOM 0 H ARG A 70 -5.763 3.592 8.997 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.475 4.226 7.987 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.971 4.887 10.473 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.856 6.218 9.755 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.344 5.222 11.316 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.913 4.721 9.736 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.130 2.701 10.330 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.733 3.104 11.926 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.197 1.781 9.783 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.506 3.835 12.645 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.169 3.331 12.966 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.330 1.144 10.209 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.195 1.817 11.595 1.00 0.00 H new ATOM 1132 N THR A 71 -5.617 5.722 7.490 1.00 0.00 N ATOM 1133 CA THR A 71 -4.932 6.714 6.670 1.00 0.00 C ATOM 1134 C THR A 71 -3.523 6.252 6.313 1.00 0.00 C ATOM 1135 O THR A 71 -3.139 6.247 5.144 1.00 0.00 O ATOM 1136 CB THR A 71 -4.871 8.059 7.399 1.00 0.00 C ATOM 1137 OG1 THR A 71 -3.948 8.928 6.768 1.00 0.00 O ATOM 1138 CG2 THR A 71 -4.468 7.937 8.853 1.00 0.00 C ATOM 0 H THR A 71 -4.995 5.111 8.019 1.00 0.00 H new ATOM 0 HA THR A 71 -5.499 6.834 5.747 1.00 0.00 H new ATOM 0 HB THR A 71 -5.885 8.458 7.354 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.983 8.794 5.798 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.445 8.927 9.308 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.190 7.312 9.379 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.479 7.484 8.920 1.00 0.00 H new ATOM 1146 N ILE A 72 -2.756 5.866 7.328 1.00 0.00 N ATOM 1147 CA ILE A 72 -1.389 5.404 7.117 1.00 0.00 C ATOM 1148 C ILE A 72 -0.534 6.496 6.484 1.00 0.00 C ATOM 1149 O ILE A 72 -1.056 7.435 5.883 1.00 0.00 O ATOM 1150 CB ILE A 72 -1.352 4.153 6.218 1.00 0.00 C ATOM 1151 CG1 ILE A 72 -2.373 3.119 6.699 1.00 0.00 C ATOM 1152 CG2 ILE A 72 0.046 3.554 6.201 1.00 0.00 C ATOM 1153 CD1 ILE A 72 -2.653 2.031 5.686 1.00 0.00 C ATOM 0 H ILE A 72 -3.057 5.864 8.303 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.984 5.150 8.097 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.613 4.448 5.202 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.010 2.662 7.620 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.306 3.627 6.942 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.056 2.671 5.562 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.752 4.289 5.815 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.333 3.272 7.214 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.385 1.334 6.094 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.046 2.477 4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.730 1.497 5.461 1.00 0.00 H new ATOM 1165 N ARG A 73 0.781 6.369 6.622 1.00 0.00 N ATOM 1166 CA ARG A 73 1.706 7.348 6.062 1.00 0.00 C ATOM 1167 C ARG A 73 2.089 6.977 4.630 1.00 0.00 C ATOM 1168 O ARG A 73 3.271 6.873 4.299 1.00 0.00 O ATOM 1169 CB ARG A 73 2.961 7.450 6.932 1.00 0.00 C ATOM 1170 CG ARG A 73 2.872 8.522 8.008 1.00 0.00 C ATOM 1171 CD ARG A 73 3.645 9.772 7.616 1.00 0.00 C ATOM 1172 NE ARG A 73 4.362 10.351 8.750 1.00 0.00 N ATOM 1173 CZ ARG A 73 5.482 9.843 9.258 1.00 0.00 C ATOM 1174 NH1 ARG A 73 6.017 8.746 8.737 1.00 0.00 N ATOM 1175 NH2 ARG A 73 6.071 10.433 10.289 1.00 0.00 N ATOM 0 H ARG A 73 1.231 5.598 7.116 1.00 0.00 H new ATOM 0 HA ARG A 73 1.207 8.317 6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.143 6.486 7.406 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.819 7.659 6.293 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.827 8.779 8.181 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.264 8.130 8.947 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.354 9.526 6.826 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.956 10.511 7.207 1.00 0.00 H new ATOM 0 HE ARG A 73 3.981 11.195 9.178 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.570 8.288 7.943 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.876 8.361 9.130 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.666 11.277 10.693 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.930 10.043 10.678 1.00 0.00 H new ATOM 1189 N VAL A 74 1.083 6.778 3.786 1.00 0.00 N ATOM 1190 CA VAL A 74 1.313 6.419 2.392 1.00 0.00 C ATOM 1191 C VAL A 74 1.810 7.619 1.592 1.00 0.00 C ATOM 1192 O VAL A 74 1.620 8.767 1.995 1.00 0.00 O ATOM 1193 CB VAL A 74 0.032 5.865 1.735 1.00 0.00 C ATOM 1194 CG1 VAL A 74 -1.065 6.918 1.723 1.00 0.00 C ATOM 1195 CG2 VAL A 74 0.322 5.371 0.326 1.00 0.00 C ATOM 0 H VAL A 74 0.099 6.859 4.043 1.00 0.00 H new ATOM 0 HA VAL A 74 2.077 5.642 2.385 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.317 5.019 2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.959 6.506 1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.295 7.216 2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.728 7.788 1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.594 4.984 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.699 6.196 -0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.069 4.578 0.365 1.00 0.00 H new ATOM 1205 N THR A 75 2.448 7.349 0.458 1.00 0.00 N ATOM 1206 CA THR A 75 2.970 8.410 -0.394 1.00 0.00 C ATOM 1207 C THR A 75 3.229 7.897 -1.808 1.00 0.00 C ATOM 1208 O THR A 75 3.018 6.721 -2.102 1.00 0.00 O ATOM 1209 CB THR A 75 4.258 8.980 0.198 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.773 10.014 -0.621 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.348 7.945 0.370 1.00 0.00 C ATOM 0 H THR A 75 2.616 6.406 0.108 1.00 0.00 H new ATOM 0 HA THR A 75 2.221 9.200 -0.446 1.00 0.00 H new ATOM 0 HB THR A 75 3.980 9.358 1.182 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.596 10.367 -0.224 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.234 8.417 0.795 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.000 7.158 1.039 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.596 7.513 -0.600 1.00 0.00 H new ATOM 1219 N GLU A 76 3.690 8.790 -2.678 1.00 0.00 N ATOM 1220 CA GLU A 76 3.980 8.430 -4.060 1.00 0.00 C ATOM 1221 C GLU A 76 5.484 8.389 -4.309 1.00 0.00 C ATOM 1222 O GLU A 76 6.146 9.427 -4.343 1.00 0.00 O ATOM 1223 CB GLU A 76 3.321 9.424 -5.018 1.00 0.00 C ATOM 1224 CG GLU A 76 3.616 10.877 -4.684 1.00 0.00 C ATOM 1225 CD GLU A 76 2.467 11.555 -3.965 1.00 0.00 C ATOM 1226 OE1 GLU A 76 1.305 11.162 -4.199 1.00 0.00 O ATOM 1227 OE2 GLU A 76 2.729 12.480 -3.166 1.00 0.00 O ATOM 0 H GLU A 76 3.870 9.768 -2.450 1.00 0.00 H new ATOM 0 HA GLU A 76 3.573 7.435 -4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.660 9.217 -6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.242 9.268 -5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.510 10.929 -4.062 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.835 11.420 -5.603 1.00 0.00 H new ATOM 1234 N ALA A 77 6.017 7.185 -4.482 1.00 0.00 N ATOM 1235 CA ALA A 77 7.444 7.010 -4.728 1.00 0.00 C ATOM 1236 C ALA A 77 7.835 7.557 -6.097 1.00 0.00 C ATOM 1237 O ALA A 77 9.000 7.358 -6.501 1.00 0.00 O ATOM 1238 CB ALA A 77 7.822 5.540 -4.616 1.00 0.00 C ATOM 0 H ALA A 77 5.483 6.316 -4.457 1.00 0.00 H new ATOM 0 HA ALA A 77 7.991 7.573 -3.971 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.890 5.424 -4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.587 5.179 -3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.261 4.963 -5.351 1.00 0.00 H new TER 1244 ALA A 77