USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 627 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 62 GLN : amide:sc= 0.913 X(o=2.3,f=2.4) USER MOD Set 1.2: A 65 SER OG : rot -87:sc= 1.43 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.611 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.06 K(o=1.7,f=0.55) USER MOD Set 3.1: A 6 LYS NZ :NH3+ -143:sc= 1.64 (180deg=-0.129) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.829 USER MOD Single : A 1 MET CE :methyl -149:sc=-0.00905 (180deg=-0.789) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -133:sc= 1.28 (180deg=0.866) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -40:sc= 0.00851 USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= 1.08 (180deg=0.495) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 1.07 K(o=1.1,f=-0.0032) USER MOD Single : A 33 LYS NZ :NH3+ 148:sc= 0.652 (180deg=0.143) USER MOD Single : A 40 GLN : amide:sc= -0.0479 X(o=-0.048,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.881 X(o=-0.88,f=-0.9) USER MOD Single : A 48 LYS NZ :NH3+ 145:sc= 0.761 (180deg=0.272) USER MOD Single : A 49 GLN : amide:sc= -1.05 K(o=-1,f=-2.8!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.331 USER MOD Single : A 60 ASN : amide:sc= 0.901 K(o=0.9,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -7.954 -13.936 6.589 1.00 0.00 N ATOM 2 CA MET A 1 -7.362 -13.720 5.253 1.00 0.00 C ATOM 3 C MET A 1 -6.018 -13.026 5.420 1.00 0.00 C ATOM 4 O MET A 1 -5.969 -11.871 5.831 1.00 0.00 O ATOM 5 CB MET A 1 -8.312 -12.904 4.355 1.00 0.00 C ATOM 6 CG MET A 1 -7.742 -12.508 2.986 1.00 0.00 C ATOM 7 SD MET A 1 -8.778 -11.273 2.160 1.00 0.00 S ATOM 8 CE MET A 1 -8.047 -11.232 0.505 1.00 0.00 C ATOM 0 H1 MET A 1 -8.874 -14.410 6.488 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.318 -14.531 7.158 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.087 -13.019 7.062 1.00 0.00 H new ATOM 0 HA MET A 1 -7.209 -14.680 4.760 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.222 -13.482 4.198 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.598 -11.997 4.887 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.734 -12.112 3.112 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.660 -13.394 2.356 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.156 -10.233 0.084 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.989 -11.486 0.568 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.555 -11.953 -0.135 1.00 0.00 H new ATOM 20 N GLN A 2 -4.927 -13.725 5.116 1.00 0.00 N ATOM 21 CA GLN A 2 -3.618 -13.102 4.921 1.00 0.00 C ATOM 22 C GLN A 2 -3.458 -12.593 3.488 1.00 0.00 C ATOM 23 O GLN A 2 -4.044 -13.159 2.562 1.00 0.00 O ATOM 24 CB GLN A 2 -2.496 -14.086 5.279 1.00 0.00 C ATOM 25 CG GLN A 2 -2.355 -14.291 6.796 1.00 0.00 C ATOM 26 CD GLN A 2 -2.033 -15.745 7.113 1.00 0.00 C ATOM 27 OE1 GLN A 2 -2.923 -16.568 7.285 1.00 0.00 O ATOM 28 NE2 GLN A 2 -0.792 -16.157 6.980 1.00 0.00 N ATOM 0 H GLN A 2 -4.924 -14.738 4.998 1.00 0.00 H new ATOM 0 HA GLN A 2 -3.549 -12.243 5.588 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.694 -15.046 4.803 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -1.552 -13.718 4.876 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -1.567 -13.646 7.184 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.279 -14.001 7.295 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -0.043 -15.480 6.836 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.578 -17.154 7.020 1.00 0.00 H new ATOM 37 N ILE A 3 -2.619 -11.573 3.323 1.00 0.00 N ATOM 38 CA ILE A 3 -2.081 -11.088 2.040 1.00 0.00 C ATOM 39 C ILE A 3 -0.606 -10.712 2.259 1.00 0.00 C ATOM 40 O ILE A 3 -0.191 -10.464 3.396 1.00 0.00 O ATOM 41 CB ILE A 3 -2.899 -9.900 1.469 1.00 0.00 C ATOM 42 CG1 ILE A 3 -2.846 -8.651 2.381 1.00 0.00 C ATOM 43 CG2 ILE A 3 -4.344 -10.325 1.156 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.586 -7.424 1.833 1.00 0.00 C ATOM 0 H ILE A 3 -2.275 -11.031 4.115 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.158 -11.877 1.292 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.429 -9.607 0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.268 -8.909 3.352 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.802 -8.384 2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.895 -9.474 0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.335 -11.129 0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.826 -10.674 2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.494 -6.599 2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.151 -7.134 0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.639 -7.667 1.693 1.00 0.00 H new ATOM 56 N PHE A 4 0.176 -10.663 1.181 1.00 0.00 N ATOM 57 CA PHE A 4 1.623 -10.433 1.237 1.00 0.00 C ATOM 58 C PHE A 4 2.091 -9.212 0.441 1.00 0.00 C ATOM 59 O PHE A 4 1.551 -8.952 -0.628 1.00 0.00 O ATOM 60 CB PHE A 4 2.368 -11.704 0.810 1.00 0.00 C ATOM 61 CG PHE A 4 2.133 -12.897 1.718 1.00 0.00 C ATOM 62 CD1 PHE A 4 2.724 -12.959 2.996 1.00 0.00 C ATOM 63 CD2 PHE A 4 1.296 -13.946 1.289 1.00 0.00 C ATOM 64 CE1 PHE A 4 2.478 -14.061 3.836 1.00 0.00 C ATOM 65 CE2 PHE A 4 1.053 -15.046 2.127 1.00 0.00 C ATOM 66 CZ PHE A 4 1.636 -15.103 3.404 1.00 0.00 C ATOM 0 H PHE A 4 -0.180 -10.783 0.233 1.00 0.00 H new ATOM 0 HA PHE A 4 1.865 -10.200 2.274 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.064 -11.967 -0.203 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.437 -11.492 0.777 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.367 -12.159 3.331 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.839 -13.904 0.311 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.936 -14.107 4.813 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.416 -15.850 1.789 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.439 -15.944 4.052 1.00 0.00 H new ATOM 76 N VAL A 5 3.117 -8.487 0.904 1.00 0.00 N ATOM 77 CA VAL A 5 3.730 -7.355 0.166 1.00 0.00 C ATOM 78 C VAL A 5 5.215 -7.565 -0.116 1.00 0.00 C ATOM 79 O VAL A 5 5.978 -7.887 0.792 1.00 0.00 O ATOM 80 CB VAL A 5 3.477 -5.980 0.821 1.00 0.00 C ATOM 81 CG1 VAL A 5 3.828 -4.834 -0.139 1.00 0.00 C ATOM 82 CG2 VAL A 5 2.030 -5.796 1.292 1.00 0.00 C ATOM 0 H VAL A 5 3.555 -8.664 1.808 1.00 0.00 H new ATOM 0 HA VAL A 5 3.214 -7.342 -0.794 1.00 0.00 H new ATOM 0 HB VAL A 5 4.127 -5.951 1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.639 -3.879 0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.881 -4.899 -0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.213 -4.910 -1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.917 -4.810 1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.356 -5.885 0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.787 -6.562 2.028 1.00 0.00 H new ATOM 92 N LYS A 6 5.644 -7.359 -1.363 1.00 0.00 N ATOM 93 CA LYS A 6 7.023 -7.563 -1.820 1.00 0.00 C ATOM 94 C LYS A 6 7.779 -6.235 -1.867 1.00 0.00 C ATOM 95 O LYS A 6 7.453 -5.399 -2.701 1.00 0.00 O ATOM 96 CB LYS A 6 6.953 -8.280 -3.188 1.00 0.00 C ATOM 97 CG LYS A 6 8.256 -8.287 -3.998 1.00 0.00 C ATOM 98 CD LYS A 6 9.246 -9.421 -3.614 1.00 0.00 C ATOM 99 CE LYS A 6 9.214 -9.885 -2.144 1.00 0.00 C ATOM 100 NZ LYS A 6 9.891 -11.185 -1.904 1.00 0.00 N ATOM 0 H LYS A 6 5.024 -7.036 -2.106 1.00 0.00 H new ATOM 0 HA LYS A 6 7.586 -8.187 -1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.643 -9.312 -3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.176 -7.806 -3.787 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.011 -8.379 -5.056 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.755 -7.327 -3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.043 -10.283 -4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.257 -9.086 -3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.684 -9.122 -1.523 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.176 -9.963 -1.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.364 -11.724 -1.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.924 -11.728 -2.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.860 -11.015 -1.566 1.00 0.00 H new ATOM 114 N THR A 7 8.790 -6.039 -1.020 1.00 0.00 N ATOM 115 CA THR A 7 9.628 -4.823 -0.992 1.00 0.00 C ATOM 116 C THR A 7 10.935 -4.874 -1.796 1.00 0.00 C ATOM 117 O THR A 7 11.420 -5.950 -2.149 1.00 0.00 O ATOM 118 CB THR A 7 9.847 -4.249 0.426 1.00 0.00 C ATOM 119 OG1 THR A 7 11.067 -4.702 0.973 1.00 0.00 O ATOM 120 CG2 THR A 7 8.751 -4.580 1.438 1.00 0.00 C ATOM 0 H THR A 7 9.060 -6.729 -0.319 1.00 0.00 H new ATOM 0 HA THR A 7 9.006 -4.115 -1.540 1.00 0.00 H new ATOM 0 HB THR A 7 9.841 -3.170 0.269 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.184 -4.324 1.870 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.998 -4.132 2.401 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.799 -4.183 1.086 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.674 -5.661 1.550 1.00 0.00 H new ATOM 128 N LEU A 8 11.533 -3.700 -2.041 1.00 0.00 N ATOM 129 CA LEU A 8 12.779 -3.505 -2.804 1.00 0.00 C ATOM 130 C LEU A 8 13.996 -4.235 -2.198 1.00 0.00 C ATOM 131 O LEU A 8 14.904 -4.610 -2.936 1.00 0.00 O ATOM 132 CB LEU A 8 13.090 -1.992 -2.894 1.00 0.00 C ATOM 133 CG LEU A 8 12.251 -1.124 -3.859 1.00 0.00 C ATOM 134 CD1 LEU A 8 12.390 -1.568 -5.314 1.00 0.00 C ATOM 135 CD2 LEU A 8 10.762 -1.060 -3.508 1.00 0.00 C ATOM 0 H LEU A 8 11.147 -2.820 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 8 12.612 -3.936 -3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.985 -1.572 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.137 -1.885 -3.177 1.00 0.00 H new ATOM 0 HG LEU A 8 12.669 -0.125 -3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.781 -0.926 -5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.434 -1.495 -5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.054 -2.600 -5.413 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.244 -0.432 -4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.339 -2.064 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.641 -0.638 -2.510 1.00 0.00 H new ATOM 147 N THR A 9 14.015 -4.470 -0.881 1.00 0.00 N ATOM 148 CA THR A 9 15.034 -5.286 -0.181 1.00 0.00 C ATOM 149 C THR A 9 14.798 -6.802 -0.175 1.00 0.00 C ATOM 150 O THR A 9 15.420 -7.553 0.578 1.00 0.00 O ATOM 151 CB THR A 9 15.422 -4.742 1.212 1.00 0.00 C ATOM 152 OG1 THR A 9 15.029 -3.398 1.380 1.00 0.00 O ATOM 153 CG2 THR A 9 16.929 -4.813 1.465 1.00 0.00 C ATOM 0 H THR A 9 13.308 -4.092 -0.250 1.00 0.00 H new ATOM 0 HA THR A 9 15.907 -5.160 -0.821 1.00 0.00 H new ATOM 0 HB THR A 9 14.898 -5.381 1.923 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.290 -3.090 2.273 1.00 0.00 H new ATOM 0 HG21 THR A 9 17.150 -4.419 2.457 1.00 0.00 H new ATOM 0 HG22 THR A 9 17.260 -5.850 1.404 1.00 0.00 H new ATOM 0 HG23 THR A 9 17.452 -4.221 0.714 1.00 0.00 H new ATOM 161 N GLY A 10 13.824 -7.257 -0.965 1.00 0.00 N ATOM 162 CA GLY A 10 13.396 -8.651 -1.060 1.00 0.00 C ATOM 163 C GLY A 10 12.416 -9.111 0.025 1.00 0.00 C ATOM 164 O GLY A 10 11.867 -10.206 -0.120 1.00 0.00 O ATOM 0 H GLY A 10 13.292 -6.640 -1.579 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.932 -8.806 -2.034 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.279 -9.288 -1.022 1.00 0.00 H new ATOM 168 N LYS A 11 12.133 -8.309 1.071 1.00 0.00 N ATOM 169 CA LYS A 11 11.198 -8.699 2.147 1.00 0.00 C ATOM 170 C LYS A 11 9.806 -9.049 1.602 1.00 0.00 C ATOM 171 O LYS A 11 9.276 -8.351 0.737 1.00 0.00 O ATOM 172 CB LYS A 11 11.057 -7.643 3.271 1.00 0.00 C ATOM 173 CG LYS A 11 12.316 -7.385 4.128 1.00 0.00 C ATOM 174 CD LYS A 11 12.020 -7.144 5.631 1.00 0.00 C ATOM 175 CE LYS A 11 11.046 -5.987 5.933 1.00 0.00 C ATOM 176 NZ LYS A 11 10.656 -5.920 7.370 1.00 0.00 N ATOM 0 H LYS A 11 12.541 -7.382 1.194 1.00 0.00 H new ATOM 0 HA LYS A 11 11.650 -9.587 2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.752 -6.700 2.818 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.250 -7.954 3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.988 -8.238 4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.843 -6.518 3.729 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.612 -8.061 6.056 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.962 -6.947 6.143 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.508 -5.044 5.642 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.150 -6.104 5.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.625 -5.807 7.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.944 -6.797 7.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.127 -5.109 7.820 1.00 0.00 H new ATOM 190 N THR A 12 9.216 -10.106 2.156 1.00 0.00 N ATOM 191 CA THR A 12 7.811 -10.499 1.969 1.00 0.00 C ATOM 192 C THR A 12 7.003 -10.216 3.235 1.00 0.00 C ATOM 193 O THR A 12 6.971 -11.033 4.149 1.00 0.00 O ATOM 194 CB THR A 12 7.687 -11.962 1.504 1.00 0.00 C ATOM 195 OG1 THR A 12 8.556 -12.207 0.415 1.00 0.00 O ATOM 196 CG2 THR A 12 6.275 -12.317 1.044 1.00 0.00 C ATOM 0 H THR A 12 9.720 -10.742 2.774 1.00 0.00 H new ATOM 0 HA THR A 12 7.388 -9.891 1.170 1.00 0.00 H new ATOM 0 HB THR A 12 7.945 -12.574 2.368 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.469 -13.141 0.130 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.247 -13.360 0.728 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.576 -12.168 1.867 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.993 -11.677 0.208 1.00 0.00 H new ATOM 204 N ILE A 13 6.415 -9.023 3.324 1.00 0.00 N ATOM 205 CA ILE A 13 5.642 -8.566 4.489 1.00 0.00 C ATOM 206 C ILE A 13 4.355 -9.387 4.601 1.00 0.00 C ATOM 207 O ILE A 13 3.643 -9.530 3.610 1.00 0.00 O ATOM 208 CB ILE A 13 5.273 -7.067 4.373 1.00 0.00 C ATOM 209 CG1 ILE A 13 6.414 -6.156 3.866 1.00 0.00 C ATOM 210 CG2 ILE A 13 4.692 -6.540 5.695 1.00 0.00 C ATOM 211 CD1 ILE A 13 7.700 -6.220 4.697 1.00 0.00 C ATOM 0 H ILE A 13 6.461 -8.331 2.576 1.00 0.00 H new ATOM 0 HA ILE A 13 6.261 -8.701 5.376 1.00 0.00 H new ATOM 0 HB ILE A 13 4.508 -7.021 3.598 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.648 -6.428 2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.058 -5.126 3.850 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.441 -5.485 5.587 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.793 -7.103 5.947 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.429 -6.658 6.489 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.444 -5.549 4.268 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.486 -5.917 5.722 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.085 -7.240 4.693 1.00 0.00 H new ATOM 223 N THR A 14 4.035 -9.864 5.805 1.00 0.00 N ATOM 224 CA THR A 14 2.726 -10.455 6.137 1.00 0.00 C ATOM 225 C THR A 14 1.717 -9.431 6.658 1.00 0.00 C ATOM 226 O THR A 14 2.074 -8.596 7.489 1.00 0.00 O ATOM 227 CB THR A 14 2.852 -11.644 7.103 1.00 0.00 C ATOM 228 OG1 THR A 14 3.901 -12.501 6.704 1.00 0.00 O ATOM 229 CG2 THR A 14 1.582 -12.492 7.184 1.00 0.00 C ATOM 0 H THR A 14 4.683 -9.853 6.592 1.00 0.00 H new ATOM 0 HA THR A 14 2.333 -10.832 5.193 1.00 0.00 H new ATOM 0 HB THR A 14 3.045 -11.202 8.080 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.967 -13.251 7.331 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.737 -13.314 7.883 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.753 -11.874 7.530 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.349 -12.893 6.198 1.00 0.00 H new ATOM 237 N LEU A 15 0.460 -9.511 6.210 1.00 0.00 N ATOM 238 CA LEU A 15 -0.672 -8.710 6.693 1.00 0.00 C ATOM 239 C LEU A 15 -1.881 -9.613 6.973 1.00 0.00 C ATOM 240 O LEU A 15 -1.966 -10.722 6.445 1.00 0.00 O ATOM 241 CB LEU A 15 -1.023 -7.619 5.661 1.00 0.00 C ATOM 242 CG LEU A 15 0.003 -6.475 5.564 1.00 0.00 C ATOM 243 CD1 LEU A 15 -0.284 -5.636 4.318 1.00 0.00 C ATOM 244 CD2 LEU A 15 -0.070 -5.548 6.781 1.00 0.00 C ATOM 0 H LEU A 15 0.191 -10.161 5.471 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.392 -8.222 7.627 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.123 -8.084 4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.995 -7.197 5.914 1.00 0.00 H new ATOM 0 HG LEU A 15 0.994 -6.927 5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.442 -4.826 4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.211 -6.265 3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.288 -5.218 4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.668 -4.753 6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.067 -5.111 6.847 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.136 -6.119 7.686 1.00 0.00 H new ATOM 256 N GLU A 16 -2.822 -9.114 7.776 1.00 0.00 N ATOM 257 CA GLU A 16 -4.029 -9.825 8.215 1.00 0.00 C ATOM 258 C GLU A 16 -5.234 -8.876 8.130 1.00 0.00 C ATOM 259 O GLU A 16 -5.184 -7.763 8.660 1.00 0.00 O ATOM 260 CB GLU A 16 -3.792 -10.383 9.630 1.00 0.00 C ATOM 261 CG GLU A 16 -4.986 -11.169 10.185 1.00 0.00 C ATOM 262 CD GLU A 16 -4.672 -11.903 11.503 1.00 0.00 C ATOM 263 OE1 GLU A 16 -3.527 -11.873 12.005 1.00 0.00 O ATOM 264 OE2 GLU A 16 -5.598 -12.565 12.033 1.00 0.00 O ATOM 0 H GLU A 16 -2.764 -8.168 8.154 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.249 -10.673 7.567 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.916 -11.031 9.614 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.565 -9.557 10.304 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.819 -10.485 10.348 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.311 -11.896 9.441 1.00 0.00 H new ATOM 271 N VAL A 17 -6.262 -9.280 7.379 1.00 0.00 N ATOM 272 CA VAL A 17 -7.374 -8.428 6.912 1.00 0.00 C ATOM 273 C VAL A 17 -8.645 -9.270 6.740 1.00 0.00 C ATOM 274 O VAL A 17 -8.597 -10.505 6.803 1.00 0.00 O ATOM 275 CB VAL A 17 -7.030 -7.726 5.572 1.00 0.00 C ATOM 276 CG1 VAL A 17 -5.879 -6.719 5.709 1.00 0.00 C ATOM 277 CG2 VAL A 17 -6.656 -8.716 4.455 1.00 0.00 C ATOM 0 H VAL A 17 -6.352 -10.246 7.064 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.541 -7.659 7.666 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.947 -7.202 5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.681 -6.258 4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.154 -5.948 6.429 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.983 -7.235 6.055 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.426 -8.165 3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.784 -9.295 4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.493 -9.390 4.271 1.00 0.00 H new ATOM 287 N GLU A 18 -9.782 -8.620 6.488 1.00 0.00 N ATOM 288 CA GLU A 18 -10.986 -9.280 5.958 1.00 0.00 C ATOM 289 C GLU A 18 -11.135 -9.045 4.441 1.00 0.00 C ATOM 290 O GLU A 18 -10.799 -7.965 3.963 1.00 0.00 O ATOM 291 CB GLU A 18 -12.238 -8.784 6.694 1.00 0.00 C ATOM 292 CG GLU A 18 -12.229 -9.157 8.183 1.00 0.00 C ATOM 293 CD GLU A 18 -13.568 -8.853 8.871 1.00 0.00 C ATOM 294 OE1 GLU A 18 -14.578 -8.549 8.193 1.00 0.00 O ATOM 295 OE2 GLU A 18 -13.622 -8.907 10.122 1.00 0.00 O ATOM 0 H GLU A 18 -9.899 -7.619 6.644 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.877 -10.352 6.125 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.309 -7.701 6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.125 -9.207 6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.003 -10.218 8.288 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.432 -8.610 8.687 1.00 0.00 H new ATOM 302 N PRO A 19 -11.729 -9.969 3.658 1.00 0.00 N ATOM 303 CA PRO A 19 -12.009 -9.743 2.229 1.00 0.00 C ATOM 304 C PRO A 19 -13.023 -8.612 1.966 1.00 0.00 C ATOM 305 O PRO A 19 -13.184 -8.181 0.823 1.00 0.00 O ATOM 306 CB PRO A 19 -12.514 -11.095 1.708 1.00 0.00 C ATOM 307 CG PRO A 19 -13.130 -11.749 2.947 1.00 0.00 C ATOM 308 CD PRO A 19 -12.215 -11.275 4.074 1.00 0.00 C ATOM 0 HA PRO A 19 -11.112 -9.404 1.711 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.249 -10.969 0.913 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.702 -11.696 1.299 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.161 -11.430 3.102 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.142 -12.836 2.866 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.757 -11.210 5.018 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -11.390 -11.970 4.228 1.00 0.00 H new ATOM 316 N SER A 20 -13.715 -8.143 3.012 1.00 0.00 N ATOM 317 CA SER A 20 -14.630 -6.993 2.986 1.00 0.00 C ATOM 318 C SER A 20 -13.924 -5.653 3.295 1.00 0.00 C ATOM 319 O SER A 20 -14.544 -4.595 3.186 1.00 0.00 O ATOM 320 CB SER A 20 -15.781 -7.265 3.965 1.00 0.00 C ATOM 321 OG SER A 20 -16.929 -6.510 3.629 1.00 0.00 O ATOM 0 H SER A 20 -13.651 -8.570 3.936 1.00 0.00 H new ATOM 0 HA SER A 20 -15.020 -6.883 1.974 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.026 -8.327 3.956 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.465 -7.019 4.979 1.00 0.00 H new ATOM 0 HG SER A 20 -16.659 -5.608 3.356 1.00 0.00 H new ATOM 327 N ASP A 21 -12.632 -5.657 3.663 1.00 0.00 N ATOM 328 CA ASP A 21 -11.848 -4.421 3.761 1.00 0.00 C ATOM 329 C ASP A 21 -11.771 -3.590 2.471 1.00 0.00 C ATOM 330 O ASP A 21 -11.454 -4.086 1.381 1.00 0.00 O ATOM 331 CB ASP A 21 -10.459 -4.620 4.409 1.00 0.00 C ATOM 332 CG ASP A 21 -10.455 -4.569 5.942 1.00 0.00 C ATOM 333 OD1 ASP A 21 -10.937 -3.540 6.486 1.00 0.00 O ATOM 334 OD2 ASP A 21 -9.863 -5.472 6.578 1.00 0.00 O ATOM 0 H ASP A 21 -12.112 -6.503 3.897 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.434 -3.812 4.450 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.058 -5.582 4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.783 -3.852 4.031 1.00 0.00 H new ATOM 339 N THR A 22 -12.032 -2.289 2.610 1.00 0.00 N ATOM 340 CA THR A 22 -11.742 -1.305 1.566 1.00 0.00 C ATOM 341 C THR A 22 -10.257 -1.202 1.219 1.00 0.00 C ATOM 342 O THR A 22 -9.390 -1.449 2.060 1.00 0.00 O ATOM 343 CB THR A 22 -12.413 0.067 1.785 1.00 0.00 C ATOM 344 OG1 THR A 22 -11.539 0.938 2.462 1.00 0.00 O ATOM 345 CG2 THR A 22 -13.714 0.033 2.586 1.00 0.00 C ATOM 0 H THR A 22 -12.450 -1.888 3.449 1.00 0.00 H new ATOM 0 HA THR A 22 -12.222 -1.708 0.675 1.00 0.00 H new ATOM 0 HB THR A 22 -12.652 0.408 0.778 1.00 0.00 H new ATOM 0 HG1 THR A 22 -11.977 1.805 2.593 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.107 1.045 2.685 1.00 0.00 H new ATOM 0 HG22 THR A 22 -14.443 -0.590 2.069 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.521 -0.380 3.576 1.00 0.00 H new ATOM 353 N ILE A 23 -9.929 -0.783 -0.005 1.00 0.00 N ATOM 354 CA ILE A 23 -8.537 -0.516 -0.381 1.00 0.00 C ATOM 355 C ILE A 23 -7.926 0.543 0.558 1.00 0.00 C ATOM 356 O ILE A 23 -6.769 0.418 0.954 1.00 0.00 O ATOM 357 CB ILE A 23 -8.470 -0.124 -1.876 1.00 0.00 C ATOM 358 CG1 ILE A 23 -8.894 -1.274 -2.823 1.00 0.00 C ATOM 359 CG2 ILE A 23 -7.075 0.387 -2.266 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.065 -2.564 -2.736 1.00 0.00 C ATOM 0 H ILE A 23 -10.605 -0.621 -0.751 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.933 -1.415 -0.261 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.191 0.684 -1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.935 -1.521 -2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.850 -0.907 -3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.067 0.652 -3.323 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.829 1.266 -1.669 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.337 -0.394 -2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.455 -3.295 -3.444 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.025 -2.345 -2.976 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.126 -2.969 -1.726 1.00 0.00 H new ATOM 372 N GLU A 24 -8.709 1.545 0.974 1.00 0.00 N ATOM 373 CA GLU A 24 -8.285 2.591 1.915 1.00 0.00 C ATOM 374 C GLU A 24 -8.060 2.041 3.339 1.00 0.00 C ATOM 375 O GLU A 24 -7.031 2.332 3.944 1.00 0.00 O ATOM 376 CB GLU A 24 -9.311 3.738 1.870 1.00 0.00 C ATOM 377 CG GLU A 24 -8.763 5.049 2.456 1.00 0.00 C ATOM 378 CD GLU A 24 -9.615 6.287 2.100 1.00 0.00 C ATOM 379 OE1 GLU A 24 -10.760 6.122 1.608 1.00 0.00 O ATOM 380 OE2 GLU A 24 -9.115 7.423 2.288 1.00 0.00 O ATOM 0 H GLU A 24 -9.674 1.655 0.661 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.313 2.979 1.611 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.616 3.906 0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.203 3.443 2.422 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.706 4.957 3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.746 5.202 2.095 1.00 0.00 H new ATOM 387 N ASN A 25 -8.936 1.151 3.829 1.00 0.00 N ATOM 388 CA ASN A 25 -8.750 0.421 5.087 1.00 0.00 C ATOM 389 C ASN A 25 -7.393 -0.307 5.146 1.00 0.00 C ATOM 390 O ASN A 25 -6.687 -0.240 6.151 1.00 0.00 O ATOM 391 CB ASN A 25 -9.893 -0.585 5.270 1.00 0.00 C ATOM 392 CG ASN A 25 -11.174 -0.017 5.845 1.00 0.00 C ATOM 393 OD1 ASN A 25 -11.539 1.142 5.697 1.00 0.00 O ATOM 394 ND2 ASN A 25 -11.920 -0.873 6.493 1.00 0.00 N ATOM 0 H ASN A 25 -9.807 0.916 3.353 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.760 1.150 5.897 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.117 -1.034 4.302 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.547 -1.387 5.921 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.816 -0.577 6.881 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.606 -1.836 6.610 1.00 0.00 H new ATOM 401 N VAL A 26 -6.999 -0.983 4.062 1.00 0.00 N ATOM 402 CA VAL A 26 -5.700 -1.673 3.969 1.00 0.00 C ATOM 403 C VAL A 26 -4.523 -0.697 3.846 1.00 0.00 C ATOM 404 O VAL A 26 -3.493 -0.922 4.486 1.00 0.00 O ATOM 405 CB VAL A 26 -5.700 -2.690 2.818 1.00 0.00 C ATOM 406 CG1 VAL A 26 -4.406 -3.513 2.758 1.00 0.00 C ATOM 407 CG2 VAL A 26 -6.861 -3.685 2.966 1.00 0.00 C ATOM 0 H VAL A 26 -7.570 -1.070 3.221 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.561 -2.213 4.905 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.799 -2.100 1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.460 -4.216 1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.556 -2.845 2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.281 -4.063 3.691 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.840 -4.395 2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.761 -4.223 3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.807 -3.144 2.955 1.00 0.00 H new ATOM 417 N LYS A 27 -4.674 0.418 3.107 1.00 0.00 N ATOM 418 CA LYS A 27 -3.682 1.515 3.123 1.00 0.00 C ATOM 419 C LYS A 27 -3.457 2.094 4.523 1.00 0.00 C ATOM 420 O LYS A 27 -2.362 2.590 4.755 1.00 0.00 O ATOM 421 CB LYS A 27 -4.050 2.679 2.172 1.00 0.00 C ATOM 422 CG LYS A 27 -3.500 2.629 0.735 1.00 0.00 C ATOM 423 CD LYS A 27 -4.414 1.870 -0.232 1.00 0.00 C ATOM 424 CE LYS A 27 -4.072 2.080 -1.713 1.00 0.00 C ATOM 425 NZ LYS A 27 -4.534 3.395 -2.237 1.00 0.00 N ATOM 0 H LYS A 27 -5.471 0.585 2.492 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.762 1.046 2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.137 2.734 2.114 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.708 3.607 2.630 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.360 3.647 0.370 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.518 2.156 0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.360 0.805 -0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.445 2.181 -0.061 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.993 2.001 -1.846 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.524 1.282 -2.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.704 3.321 -3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.416 3.669 -1.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.805 4.115 -2.059 1.00 0.00 H new ATOM 439 N ALA A 28 -4.436 2.019 5.426 1.00 0.00 N ATOM 440 CA ALA A 28 -4.288 2.459 6.817 1.00 0.00 C ATOM 441 C ALA A 28 -3.650 1.376 7.716 1.00 0.00 C ATOM 442 O ALA A 28 -2.617 1.612 8.347 1.00 0.00 O ATOM 443 CB ALA A 28 -5.658 2.915 7.337 1.00 0.00 C ATOM 0 H ALA A 28 -5.362 1.648 5.212 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.595 3.299 6.850 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.563 3.245 8.371 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.023 3.740 6.725 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.362 2.084 7.285 1.00 0.00 H new ATOM 449 N LYS A 29 -4.208 0.154 7.724 1.00 0.00 N ATOM 450 CA LYS A 29 -3.742 -0.980 8.559 1.00 0.00 C ATOM 451 C LYS A 29 -2.249 -1.311 8.385 1.00 0.00 C ATOM 452 O LYS A 29 -1.616 -1.817 9.313 1.00 0.00 O ATOM 453 CB LYS A 29 -4.617 -2.226 8.286 1.00 0.00 C ATOM 454 CG LYS A 29 -6.072 -2.118 8.797 1.00 0.00 C ATOM 455 CD LYS A 29 -6.952 -3.257 8.238 1.00 0.00 C ATOM 456 CE LYS A 29 -8.470 -3.066 8.452 1.00 0.00 C ATOM 457 NZ LYS A 29 -8.915 -3.203 9.863 1.00 0.00 N ATOM 0 H LYS A 29 -5.011 -0.084 7.142 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.852 -0.668 9.598 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.636 -2.411 7.212 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.146 -3.092 8.751 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.080 -2.151 9.886 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.491 -1.155 8.505 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.759 -3.355 7.170 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.648 -4.194 8.704 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.754 -2.078 8.089 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.005 -3.795 7.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.944 -3.061 9.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.678 -4.154 10.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.435 -2.490 10.449 1.00 0.00 H new ATOM 471 N ILE A 30 -1.652 -1.007 7.226 1.00 0.00 N ATOM 472 CA ILE A 30 -0.221 -1.252 6.976 1.00 0.00 C ATOM 473 C ILE A 30 0.714 -0.310 7.770 1.00 0.00 C ATOM 474 O ILE A 30 1.848 -0.698 8.071 1.00 0.00 O ATOM 475 CB ILE A 30 0.060 -1.173 5.460 1.00 0.00 C ATOM 476 CG1 ILE A 30 1.368 -1.924 5.142 1.00 0.00 C ATOM 477 CG2 ILE A 30 0.111 0.268 4.940 1.00 0.00 C ATOM 478 CD1 ILE A 30 1.673 -2.029 3.643 1.00 0.00 C ATOM 0 H ILE A 30 -2.142 -0.586 6.437 1.00 0.00 H new ATOM 0 HA ILE A 30 0.003 -2.255 7.339 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.772 -1.650 4.941 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.196 -1.417 5.637 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.311 -2.928 5.563 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.312 0.261 3.869 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.845 0.756 5.127 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.903 0.812 5.454 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.608 -2.570 3.499 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.864 -2.563 3.144 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.764 -1.029 3.219 1.00 0.00 H new ATOM 490 N GLN A 31 0.276 0.905 8.144 1.00 0.00 N ATOM 491 CA GLN A 31 1.111 1.805 8.958 1.00 0.00 C ATOM 492 C GLN A 31 1.186 1.358 10.425 1.00 0.00 C ATOM 493 O GLN A 31 2.198 1.593 11.084 1.00 0.00 O ATOM 494 CB GLN A 31 0.635 3.269 8.883 1.00 0.00 C ATOM 495 CG GLN A 31 1.120 4.017 7.631 1.00 0.00 C ATOM 496 CD GLN A 31 0.043 4.120 6.564 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.970 4.774 6.737 1.00 0.00 O ATOM 498 NE2 GLN A 31 0.203 3.479 5.432 1.00 0.00 N ATOM 0 H GLN A 31 -0.639 1.283 7.899 1.00 0.00 H new ATOM 0 HA GLN A 31 2.112 1.747 8.529 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.455 3.288 8.907 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.983 3.800 9.769 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.445 5.018 7.913 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.989 3.504 7.218 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.046 2.927 5.273 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.516 3.532 4.710 1.00 0.00 H new ATOM 507 N ASP A 32 0.145 0.667 10.890 1.00 0.00 N ATOM 508 CA ASP A 32 0.088 -0.016 12.177 1.00 0.00 C ATOM 509 C ASP A 32 0.972 -1.271 12.313 1.00 0.00 C ATOM 510 O ASP A 32 1.791 -1.351 13.229 1.00 0.00 O ATOM 511 CB ASP A 32 -1.386 -0.278 12.545 1.00 0.00 C ATOM 512 CG ASP A 32 -2.104 0.843 13.318 1.00 0.00 C ATOM 513 OD1 ASP A 32 -1.471 1.838 13.741 1.00 0.00 O ATOM 514 OD2 ASP A 32 -3.323 0.696 13.557 1.00 0.00 O ATOM 0 H ASP A 32 -0.717 0.565 10.355 1.00 0.00 H new ATOM 0 HA ASP A 32 0.538 0.660 12.905 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.940 -0.469 11.626 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.433 -1.189 13.141 1.00 0.00 H new ATOM 519 N LYS A 33 0.848 -2.254 11.402 1.00 0.00 N ATOM 520 CA LYS A 33 1.519 -3.567 11.579 1.00 0.00 C ATOM 521 C LYS A 33 3.018 -3.570 11.273 1.00 0.00 C ATOM 522 O LYS A 33 3.759 -4.332 11.892 1.00 0.00 O ATOM 523 CB LYS A 33 0.835 -4.650 10.730 1.00 0.00 C ATOM 524 CG LYS A 33 1.030 -6.070 11.321 1.00 0.00 C ATOM 525 CD LYS A 33 1.768 -7.085 10.426 1.00 0.00 C ATOM 526 CE LYS A 33 3.289 -6.910 10.232 1.00 0.00 C ATOM 527 NZ LYS A 33 4.075 -7.139 11.472 1.00 0.00 N ATOM 0 H LYS A 33 0.299 -2.172 10.546 1.00 0.00 H new ATOM 0 HA LYS A 33 1.418 -3.783 12.642 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.231 -4.432 10.657 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.236 -4.622 9.717 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.578 -5.978 12.259 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.049 -6.478 11.564 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.596 -8.080 10.838 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.301 -7.063 9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.631 -7.601 9.462 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.487 -5.902 9.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.004 -7.538 11.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.207 -6.236 11.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.565 -7.804 12.088 1.00 0.00 H new ATOM 541 N GLU A 34 3.424 -2.803 10.261 1.00 0.00 N ATOM 542 CA GLU A 34 4.796 -2.793 9.713 1.00 0.00 C ATOM 543 C GLU A 34 5.393 -1.375 9.591 1.00 0.00 C ATOM 544 O GLU A 34 6.610 -1.217 9.506 1.00 0.00 O ATOM 545 CB GLU A 34 4.780 -3.524 8.355 1.00 0.00 C ATOM 546 CG GLU A 34 6.156 -3.759 7.697 1.00 0.00 C ATOM 547 CD GLU A 34 7.050 -4.797 8.399 1.00 0.00 C ATOM 548 OE1 GLU A 34 6.560 -5.494 9.316 1.00 0.00 O ATOM 549 OE2 GLU A 34 8.224 -4.944 7.966 1.00 0.00 O ATOM 0 H GLU A 34 2.800 -2.153 9.783 1.00 0.00 H new ATOM 0 HA GLU A 34 5.451 -3.313 10.412 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.295 -4.490 8.491 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.162 -2.951 7.664 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.998 -4.077 6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.690 -2.809 7.660 1.00 0.00 H new ATOM 556 N GLY A 35 4.561 -0.325 9.595 1.00 0.00 N ATOM 557 CA GLY A 35 5.025 1.059 9.464 1.00 0.00 C ATOM 558 C GLY A 35 5.469 1.408 8.044 1.00 0.00 C ATOM 559 O GLY A 35 6.591 1.878 7.855 1.00 0.00 O ATOM 0 H GLY A 35 3.549 -0.413 9.689 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.224 1.735 9.765 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.856 1.224 10.150 1.00 0.00 H new ATOM 563 N ILE A 36 4.626 1.153 7.035 1.00 0.00 N ATOM 564 CA ILE A 36 4.898 1.507 5.629 1.00 0.00 C ATOM 565 C ILE A 36 4.031 2.723 5.236 1.00 0.00 C ATOM 566 O ILE A 36 2.861 2.538 4.889 1.00 0.00 O ATOM 567 CB ILE A 36 4.706 0.259 4.729 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.747 -0.829 5.099 1.00 0.00 C ATOM 569 CG2 ILE A 36 4.809 0.580 3.229 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.551 -2.185 4.407 1.00 0.00 C ATOM 0 H ILE A 36 3.727 0.691 7.169 1.00 0.00 H new ATOM 0 HA ILE A 36 5.934 1.814 5.488 1.00 0.00 H new ATOM 0 HB ILE A 36 3.696 -0.107 4.913 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.741 -0.455 4.855 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.720 -0.983 6.178 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.666 -0.333 2.651 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.041 1.305 2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.793 0.996 3.013 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.329 -2.875 4.732 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.574 -2.590 4.670 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.611 -2.054 3.327 1.00 0.00 H new ATOM 582 N PRO A 37 4.534 3.974 5.339 1.00 0.00 N ATOM 583 CA PRO A 37 3.767 5.188 5.043 1.00 0.00 C ATOM 584 C PRO A 37 3.722 5.512 3.537 1.00 0.00 C ATOM 585 O PRO A 37 4.700 5.251 2.827 1.00 0.00 O ATOM 586 CB PRO A 37 4.466 6.303 5.825 1.00 0.00 C ATOM 587 CG PRO A 37 5.930 5.866 5.799 1.00 0.00 C ATOM 588 CD PRO A 37 5.830 4.343 5.899 1.00 0.00 C ATOM 0 HA PRO A 37 2.723 5.067 5.333 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.326 7.276 5.355 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.086 6.383 6.843 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.430 6.179 4.882 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.494 6.290 6.630 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.640 3.864 5.349 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.912 4.016 6.936 1.00 0.00 H new ATOM 596 N PRO A 38 2.645 6.152 3.033 1.00 0.00 N ATOM 597 CA PRO A 38 2.448 6.427 1.606 1.00 0.00 C ATOM 598 C PRO A 38 3.379 7.506 1.035 1.00 0.00 C ATOM 599 O PRO A 38 3.473 7.647 -0.180 1.00 0.00 O ATOM 600 CB PRO A 38 0.977 6.841 1.482 1.00 0.00 C ATOM 601 CG PRO A 38 0.685 7.495 2.831 1.00 0.00 C ATOM 602 CD PRO A 38 1.506 6.643 3.798 1.00 0.00 C ATOM 0 HA PRO A 38 2.695 5.542 1.020 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.822 7.535 0.656 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.330 5.982 1.302 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.993 8.540 2.850 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.378 7.471 3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.836 7.232 4.654 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.913 5.816 4.189 1.00 0.00 H new ATOM 610 N ASP A 39 4.094 8.271 1.868 1.00 0.00 N ATOM 611 CA ASP A 39 5.124 9.206 1.394 1.00 0.00 C ATOM 612 C ASP A 39 6.342 8.591 0.699 1.00 0.00 C ATOM 613 O ASP A 39 6.908 9.204 -0.209 1.00 0.00 O ATOM 614 CB ASP A 39 5.566 10.185 2.505 1.00 0.00 C ATOM 615 CG ASP A 39 4.856 11.540 2.463 1.00 0.00 C ATOM 616 OD1 ASP A 39 4.528 11.985 1.333 1.00 0.00 O ATOM 617 OD2 ASP A 39 4.717 12.148 3.549 1.00 0.00 O ATOM 0 H ASP A 39 3.978 8.261 2.881 1.00 0.00 H new ATOM 0 HA ASP A 39 4.611 9.751 0.602 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.385 9.722 3.475 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.641 10.347 2.425 1.00 0.00 H new ATOM 622 N GLN A 40 6.758 7.387 1.101 1.00 0.00 N ATOM 623 CA GLN A 40 8.004 6.773 0.627 1.00 0.00 C ATOM 624 C GLN A 40 7.782 5.781 -0.535 1.00 0.00 C ATOM 625 O GLN A 40 8.734 5.400 -1.213 1.00 0.00 O ATOM 626 CB GLN A 40 8.686 6.112 1.848 1.00 0.00 C ATOM 627 CG GLN A 40 10.192 5.794 1.699 1.00 0.00 C ATOM 628 CD GLN A 40 11.156 6.887 2.184 1.00 0.00 C ATOM 629 OE1 GLN A 40 12.303 6.622 2.516 1.00 0.00 O ATOM 630 NE2 GLN A 40 10.793 8.152 2.181 1.00 0.00 N ATOM 0 H GLN A 40 6.241 6.809 1.764 1.00 0.00 H new ATOM 0 HA GLN A 40 8.653 7.540 0.204 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.558 6.768 2.709 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.160 5.184 2.073 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.407 4.877 2.248 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.400 5.593 0.648 1.00 0.00 H new ATOM 0 HE21 GLN A 40 9.844 8.410 1.910 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.461 8.875 2.450 1.00 0.00 H new ATOM 639 N ASN A 41 6.558 5.304 -0.777 1.00 0.00 N ATOM 640 CA ASN A 41 6.296 4.094 -1.569 1.00 0.00 C ATOM 641 C ASN A 41 4.816 4.025 -2.036 1.00 0.00 C ATOM 642 O ASN A 41 4.012 4.852 -1.602 1.00 0.00 O ATOM 643 CB ASN A 41 6.679 2.899 -0.665 1.00 0.00 C ATOM 644 CG ASN A 41 5.793 2.808 0.558 1.00 0.00 C ATOM 645 OD1 ASN A 41 4.655 2.379 0.492 1.00 0.00 O ATOM 646 ND2 ASN A 41 6.293 3.198 1.704 1.00 0.00 N ATOM 0 H ASN A 41 5.711 5.750 -0.426 1.00 0.00 H new ATOM 0 HA ASN A 41 6.884 4.087 -2.487 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.605 1.974 -1.236 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.719 2.999 -0.353 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.728 3.144 2.552 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.247 3.556 1.749 1.00 0.00 H new ATOM 653 N ARG A 42 4.425 3.045 -2.880 1.00 0.00 N ATOM 654 CA ARG A 42 3.004 2.719 -3.147 1.00 0.00 C ATOM 655 C ARG A 42 2.806 1.256 -3.561 1.00 0.00 C ATOM 656 O ARG A 42 3.608 0.701 -4.314 1.00 0.00 O ATOM 657 CB ARG A 42 2.351 3.711 -4.143 1.00 0.00 C ATOM 658 CG ARG A 42 2.902 3.745 -5.584 1.00 0.00 C ATOM 659 CD ARG A 42 2.160 4.824 -6.408 1.00 0.00 C ATOM 660 NE ARG A 42 2.530 4.818 -7.842 1.00 0.00 N ATOM 661 CZ ARG A 42 1.836 5.317 -8.860 1.00 0.00 C ATOM 662 NH1 ARG A 42 0.714 5.972 -8.752 1.00 0.00 N ATOM 663 NH2 ARG A 42 2.264 5.171 -10.075 1.00 0.00 N ATOM 0 H ARG A 42 5.082 2.459 -3.395 1.00 0.00 H new ATOM 0 HA ARG A 42 2.477 2.841 -2.201 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.287 3.482 -4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.441 4.714 -3.725 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.971 3.958 -5.569 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.778 2.769 -6.053 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.085 4.667 -6.316 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.376 5.806 -5.987 1.00 0.00 H new ATOM 0 HE ARG A 42 3.421 4.380 -8.076 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.305 6.135 -7.832 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.245 6.322 -9.588 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.136 4.672 -10.252 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.729 5.555 -10.854 1.00 0.00 H new ATOM 677 N LEU A 43 1.737 0.628 -3.061 1.00 0.00 N ATOM 678 CA LEU A 43 1.402 -0.784 -3.313 1.00 0.00 C ATOM 679 C LEU A 43 0.964 -1.020 -4.768 1.00 0.00 C ATOM 680 O LEU A 43 0.032 -0.361 -5.241 1.00 0.00 O ATOM 681 CB LEU A 43 0.278 -1.257 -2.361 1.00 0.00 C ATOM 682 CG LEU A 43 0.516 -1.066 -0.852 1.00 0.00 C ATOM 683 CD1 LEU A 43 -0.705 -1.545 -0.064 1.00 0.00 C ATOM 684 CD2 LEU A 43 1.726 -1.854 -0.363 1.00 0.00 C ATOM 0 H LEU A 43 1.062 1.095 -2.455 1.00 0.00 H new ATOM 0 HA LEU A 43 2.308 -1.361 -3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.638 -0.730 -2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.101 -2.317 -2.545 1.00 0.00 H new ATOM 0 HG LEU A 43 0.693 -0.003 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.527 -1.406 1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.581 -0.969 -0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.878 -2.602 -0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.858 -1.691 0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.569 -2.916 -0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.617 -1.519 -0.894 1.00 0.00 H new ATOM 696 N ILE A 44 1.590 -1.990 -5.443 1.00 0.00 N ATOM 697 CA ILE A 44 1.155 -2.481 -6.775 1.00 0.00 C ATOM 698 C ILE A 44 0.571 -3.907 -6.709 1.00 0.00 C ATOM 699 O ILE A 44 1.075 -4.753 -5.974 1.00 0.00 O ATOM 700 CB ILE A 44 2.330 -2.407 -7.781 1.00 0.00 C ATOM 701 CG1 ILE A 44 2.984 -1.013 -7.846 1.00 0.00 C ATOM 702 CG2 ILE A 44 1.930 -2.849 -9.203 1.00 0.00 C ATOM 703 CD1 ILE A 44 2.073 0.151 -8.257 1.00 0.00 C ATOM 0 H ILE A 44 2.419 -2.466 -5.087 1.00 0.00 H new ATOM 0 HA ILE A 44 0.352 -1.830 -7.121 1.00 0.00 H new ATOM 0 HB ILE A 44 3.064 -3.112 -7.392 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.405 -0.787 -6.866 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.817 -1.059 -8.548 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.794 -2.776 -9.863 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.579 -3.881 -9.178 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.134 -2.204 -9.574 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.648 1.077 -8.266 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.671 -0.036 -9.253 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.253 0.240 -7.545 1.00 0.00 H new ATOM 715 N PHE A 45 -0.431 -4.231 -7.532 1.00 0.00 N ATOM 716 CA PHE A 45 -0.888 -5.612 -7.750 1.00 0.00 C ATOM 717 C PHE A 45 -1.267 -5.951 -9.198 1.00 0.00 C ATOM 718 O PHE A 45 -2.070 -5.242 -9.794 1.00 0.00 O ATOM 719 CB PHE A 45 -1.911 -6.046 -6.689 1.00 0.00 C ATOM 720 CG PHE A 45 -2.664 -7.329 -6.987 1.00 0.00 C ATOM 721 CD1 PHE A 45 -3.846 -7.301 -7.755 1.00 0.00 C ATOM 722 CD2 PHE A 45 -2.187 -8.557 -6.489 1.00 0.00 C ATOM 723 CE1 PHE A 45 -4.553 -8.491 -8.009 1.00 0.00 C ATOM 724 CE2 PHE A 45 -2.895 -9.746 -6.744 1.00 0.00 C ATOM 725 CZ PHE A 45 -4.081 -9.712 -7.498 1.00 0.00 C ATOM 0 H PHE A 45 -0.953 -3.540 -8.070 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.013 -6.245 -7.598 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.392 -6.163 -5.737 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.636 -5.242 -6.560 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.210 -6.364 -8.149 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.276 -8.586 -5.910 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.459 -8.466 -8.597 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.527 -10.686 -6.360 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.629 -10.624 -7.684 1.00 0.00 H new ATOM 735 N ALA A 46 -0.658 -6.999 -9.774 1.00 0.00 N ATOM 736 CA ALA A 46 -0.827 -7.395 -11.183 1.00 0.00 C ATOM 737 C ALA A 46 -0.728 -6.199 -12.166 1.00 0.00 C ATOM 738 O ALA A 46 -1.613 -5.959 -12.986 1.00 0.00 O ATOM 739 CB ALA A 46 -2.106 -8.231 -11.322 1.00 0.00 C ATOM 0 H ALA A 46 -0.020 -7.609 -9.263 1.00 0.00 H new ATOM 0 HA ALA A 46 0.010 -8.027 -11.480 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.236 -8.527 -12.363 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.028 -9.122 -10.699 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.964 -7.639 -11.003 1.00 0.00 H new ATOM 745 N GLY A 47 0.317 -5.378 -12.004 1.00 0.00 N ATOM 746 CA GLY A 47 0.547 -4.140 -12.763 1.00 0.00 C ATOM 747 C GLY A 47 -0.336 -2.944 -12.367 1.00 0.00 C ATOM 748 O GLY A 47 0.119 -1.803 -12.474 1.00 0.00 O ATOM 0 H GLY A 47 1.050 -5.562 -11.319 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.592 -3.852 -12.646 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.391 -4.349 -13.821 1.00 0.00 H new ATOM 752 N LYS A 48 -1.555 -3.169 -11.859 1.00 0.00 N ATOM 753 CA LYS A 48 -2.449 -2.098 -11.394 1.00 0.00 C ATOM 754 C LYS A 48 -1.977 -1.436 -10.098 1.00 0.00 C ATOM 755 O LYS A 48 -1.526 -2.080 -9.150 1.00 0.00 O ATOM 756 CB LYS A 48 -3.913 -2.569 -11.266 1.00 0.00 C ATOM 757 CG LYS A 48 -4.663 -2.577 -12.613 1.00 0.00 C ATOM 758 CD LYS A 48 -6.183 -2.388 -12.449 1.00 0.00 C ATOM 759 CE LYS A 48 -6.882 -3.592 -11.802 1.00 0.00 C ATOM 760 NZ LYS A 48 -8.280 -3.269 -11.418 1.00 0.00 N ATOM 0 H LYS A 48 -1.951 -4.103 -11.758 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.408 -1.336 -12.172 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.930 -3.573 -10.841 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.439 -1.918 -10.568 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.269 -1.784 -13.248 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.472 -3.520 -13.125 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.368 -1.501 -11.843 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.626 -2.203 -13.428 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.879 -4.432 -12.497 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.325 -3.906 -10.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.880 -4.108 -11.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.308 -2.980 -10.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.633 -2.492 -12.013 1.00 0.00 H new ATOM 774 N GLN A 49 -2.155 -0.122 -10.045 1.00 0.00 N ATOM 775 CA GLN A 49 -2.128 0.677 -8.822 1.00 0.00 C ATOM 776 C GLN A 49 -3.494 0.526 -8.126 1.00 0.00 C ATOM 777 O GLN A 49 -4.529 0.452 -8.794 1.00 0.00 O ATOM 778 CB GLN A 49 -1.851 2.157 -9.169 1.00 0.00 C ATOM 779 CG GLN A 49 -0.549 2.432 -9.952 1.00 0.00 C ATOM 780 CD GLN A 49 -0.550 1.907 -11.390 1.00 0.00 C ATOM 781 OE1 GLN A 49 -1.553 1.922 -12.087 1.00 0.00 O ATOM 782 NE2 GLN A 49 0.553 1.388 -11.880 1.00 0.00 N ATOM 0 H GLN A 49 -2.328 0.438 -10.880 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.335 0.335 -8.156 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.690 2.537 -9.752 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.822 2.729 -8.241 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.372 3.507 -9.971 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.285 1.981 -9.415 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.401 1.366 -11.314 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.561 1.007 -12.826 1.00 0.00 H new ATOM 791 N LEU A 50 -3.511 0.482 -6.793 1.00 0.00 N ATOM 792 CA LEU A 50 -4.719 0.224 -6.001 1.00 0.00 C ATOM 793 C LEU A 50 -5.316 1.540 -5.493 1.00 0.00 C ATOM 794 O LEU A 50 -4.662 2.293 -4.766 1.00 0.00 O ATOM 795 CB LEU A 50 -4.400 -0.759 -4.856 1.00 0.00 C ATOM 796 CG LEU A 50 -3.854 -2.129 -5.306 1.00 0.00 C ATOM 797 CD1 LEU A 50 -3.630 -3.012 -4.080 1.00 0.00 C ATOM 798 CD2 LEU A 50 -4.816 -2.860 -6.240 1.00 0.00 C ATOM 0 H LEU A 50 -2.677 0.626 -6.224 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.474 -0.245 -6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.671 -0.295 -4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.306 -0.920 -4.272 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.924 -1.942 -5.842 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.244 -3.981 -4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.911 -2.534 -3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.575 -3.151 -3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.385 -3.819 -6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.764 -3.027 -5.728 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.987 -2.256 -7.131 1.00 0.00 H new ATOM 810 N GLU A 51 -6.566 1.805 -5.861 1.00 0.00 N ATOM 811 CA GLU A 51 -7.253 3.087 -5.690 1.00 0.00 C ATOM 812 C GLU A 51 -8.410 2.980 -4.676 1.00 0.00 C ATOM 813 O GLU A 51 -9.031 1.931 -4.500 1.00 0.00 O ATOM 814 CB GLU A 51 -7.686 3.559 -7.089 1.00 0.00 C ATOM 815 CG GLU A 51 -8.064 5.043 -7.190 1.00 0.00 C ATOM 816 CD GLU A 51 -8.307 5.458 -8.652 1.00 0.00 C ATOM 817 OE1 GLU A 51 -7.326 5.569 -9.425 1.00 0.00 O ATOM 818 OE2 GLU A 51 -9.485 5.657 -9.044 1.00 0.00 O ATOM 0 H GLU A 51 -7.156 1.103 -6.307 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.592 3.837 -5.257 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.875 3.359 -7.790 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.539 2.961 -7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.962 5.233 -6.601 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.268 5.653 -6.764 1.00 0.00 H new ATOM 825 N ASP A 52 -8.640 4.067 -3.944 1.00 0.00 N ATOM 826 CA ASP A 52 -9.691 4.230 -2.937 1.00 0.00 C ATOM 827 C ASP A 52 -11.150 4.087 -3.424 1.00 0.00 C ATOM 828 O ASP A 52 -11.453 4.123 -4.615 1.00 0.00 O ATOM 829 CB ASP A 52 -9.433 5.473 -2.049 1.00 0.00 C ATOM 830 CG ASP A 52 -8.640 6.605 -2.721 1.00 0.00 C ATOM 831 OD1 ASP A 52 -7.437 6.375 -3.012 1.00 0.00 O ATOM 832 OD2 ASP A 52 -9.170 7.728 -2.899 1.00 0.00 O ATOM 0 H ASP A 52 -8.068 4.906 -4.041 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.602 3.347 -2.303 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.393 5.870 -1.720 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.896 5.156 -1.155 1.00 0.00 H new ATOM 837 N GLY A 53 -12.073 3.859 -2.484 1.00 0.00 N ATOM 838 CA GLY A 53 -13.497 3.651 -2.773 1.00 0.00 C ATOM 839 C GLY A 53 -13.879 2.261 -3.312 1.00 0.00 C ATOM 840 O GLY A 53 -15.062 2.039 -3.582 1.00 0.00 O ATOM 0 H GLY A 53 -11.851 3.813 -1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.063 3.833 -1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.813 4.400 -3.499 1.00 0.00 H new ATOM 844 N ARG A 54 -12.925 1.329 -3.468 1.00 0.00 N ATOM 845 CA ARG A 54 -13.150 -0.098 -3.798 1.00 0.00 C ATOM 846 C ARG A 54 -12.752 -1.032 -2.642 1.00 0.00 C ATOM 847 O ARG A 54 -12.228 -0.571 -1.627 1.00 0.00 O ATOM 848 CB ARG A 54 -12.376 -0.466 -5.081 1.00 0.00 C ATOM 849 CG ARG A 54 -12.633 0.416 -6.313 1.00 0.00 C ATOM 850 CD ARG A 54 -14.121 0.564 -6.688 1.00 0.00 C ATOM 851 NE ARG A 54 -14.609 1.945 -6.494 1.00 0.00 N ATOM 852 CZ ARG A 54 -14.276 2.990 -7.233 1.00 0.00 C ATOM 853 NH1 ARG A 54 -13.572 2.880 -8.319 1.00 0.00 N ATOM 854 NH2 ARG A 54 -14.635 4.198 -6.918 1.00 0.00 N ATOM 0 H ARG A 54 -11.935 1.552 -3.365 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.218 -0.236 -3.965 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.310 -0.436 -4.857 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.618 -1.496 -5.342 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.216 1.406 -6.130 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.096 -0.003 -7.164 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.263 0.273 -7.729 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.717 -0.119 -6.082 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.258 2.106 -5.724 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.255 1.962 -8.630 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.337 3.712 -8.861 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.191 4.362 -6.079 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.361 4.982 -7.510 1.00 0.00 H new ATOM 868 N THR A 55 -12.961 -2.342 -2.803 1.00 0.00 N ATOM 869 CA THR A 55 -12.470 -3.420 -1.911 1.00 0.00 C ATOM 870 C THR A 55 -11.349 -4.284 -2.494 1.00 0.00 C ATOM 871 O THR A 55 -11.090 -4.228 -3.696 1.00 0.00 O ATOM 872 CB THR A 55 -13.591 -4.274 -1.283 1.00 0.00 C ATOM 873 OG1 THR A 55 -13.879 -5.382 -2.107 1.00 0.00 O ATOM 874 CG2 THR A 55 -14.906 -3.538 -1.032 1.00 0.00 C ATOM 0 H THR A 55 -13.499 -2.706 -3.590 1.00 0.00 H new ATOM 0 HA THR A 55 -12.008 -2.865 -1.094 1.00 0.00 H new ATOM 0 HB THR A 55 -13.193 -4.567 -0.311 1.00 0.00 H new ATOM 0 HG1 THR A 55 -14.590 -5.918 -1.698 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.628 -4.224 -0.589 1.00 0.00 H new ATOM 0 HG22 THR A 55 -14.732 -2.705 -0.351 1.00 0.00 H new ATOM 0 HG23 THR A 55 -15.297 -3.159 -1.976 1.00 0.00 H new ATOM 882 N LEU A 56 -10.702 -5.111 -1.662 1.00 0.00 N ATOM 883 CA LEU A 56 -9.731 -6.121 -2.115 1.00 0.00 C ATOM 884 C LEU A 56 -10.306 -7.028 -3.216 1.00 0.00 C ATOM 885 O LEU A 56 -9.704 -7.186 -4.278 1.00 0.00 O ATOM 886 CB LEU A 56 -9.332 -7.002 -0.919 1.00 0.00 C ATOM 887 CG LEU A 56 -8.454 -6.315 0.144 1.00 0.00 C ATOM 888 CD1 LEU A 56 -8.338 -7.215 1.373 1.00 0.00 C ATOM 889 CD2 LEU A 56 -7.043 -6.055 -0.394 1.00 0.00 C ATOM 0 H LEU A 56 -10.837 -5.100 -0.651 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.871 -5.591 -2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.240 -7.364 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.801 -7.876 -1.295 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.922 -5.366 0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.716 -6.727 2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.330 -7.397 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.884 -8.164 1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.444 -5.569 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.579 -7.002 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.101 -5.409 -1.270 1.00 0.00 H new ATOM 901 N SER A 57 -11.495 -7.590 -2.977 1.00 0.00 N ATOM 902 CA SER A 57 -12.149 -8.499 -3.924 1.00 0.00 C ATOM 903 C SER A 57 -12.565 -7.804 -5.227 1.00 0.00 C ATOM 904 O SER A 57 -12.615 -8.463 -6.261 1.00 0.00 O ATOM 905 CB SER A 57 -13.380 -9.130 -3.269 1.00 0.00 C ATOM 906 OG SER A 57 -13.942 -10.122 -4.102 1.00 0.00 O ATOM 0 H SER A 57 -12.030 -7.428 -2.124 1.00 0.00 H new ATOM 0 HA SER A 57 -11.419 -9.265 -4.184 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.102 -9.569 -2.311 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.123 -8.359 -3.063 1.00 0.00 H new ATOM 0 HG SER A 57 -14.726 -10.512 -3.663 1.00 0.00 H new ATOM 912 N ASP A 58 -12.838 -6.494 -5.201 1.00 0.00 N ATOM 913 CA ASP A 58 -13.218 -5.721 -6.407 1.00 0.00 C ATOM 914 C ASP A 58 -11.965 -5.556 -7.306 1.00 0.00 C ATOM 915 O ASP A 58 -12.072 -5.494 -8.529 1.00 0.00 O ATOM 916 CB ASP A 58 -13.734 -4.339 -5.960 1.00 0.00 C ATOM 917 CG ASP A 58 -14.675 -3.663 -6.975 1.00 0.00 C ATOM 918 OD1 ASP A 58 -15.632 -4.326 -7.442 1.00 0.00 O ATOM 919 OD2 ASP A 58 -14.498 -2.446 -7.210 1.00 0.00 O ATOM 0 H ASP A 58 -12.804 -5.934 -4.349 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.998 -6.236 -6.968 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.258 -4.448 -5.011 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.881 -3.685 -5.780 1.00 0.00 H new ATOM 924 N TYR A 59 -10.758 -5.571 -6.722 1.00 0.00 N ATOM 925 CA TYR A 59 -9.481 -5.732 -7.428 1.00 0.00 C ATOM 926 C TYR A 59 -9.075 -7.149 -7.868 1.00 0.00 C ATOM 927 O TYR A 59 -7.962 -7.335 -8.361 1.00 0.00 O ATOM 928 CB TYR A 59 -8.359 -4.925 -6.756 1.00 0.00 C ATOM 929 CG TYR A 59 -8.311 -3.469 -7.167 1.00 0.00 C ATOM 930 CD1 TYR A 59 -9.072 -2.507 -6.477 1.00 0.00 C ATOM 931 CD2 TYR A 59 -7.453 -3.077 -8.215 1.00 0.00 C ATOM 932 CE1 TYR A 59 -8.955 -1.148 -6.819 1.00 0.00 C ATOM 933 CE2 TYR A 59 -7.348 -1.718 -8.572 1.00 0.00 C ATOM 934 CZ TYR A 59 -8.099 -0.757 -7.867 1.00 0.00 C ATOM 935 OH TYR A 59 -7.941 0.558 -8.140 1.00 0.00 O ATOM 0 H TYR A 59 -10.641 -5.468 -5.714 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.673 -5.289 -8.405 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.483 -4.982 -5.675 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.401 -5.389 -6.992 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.743 -2.811 -5.688 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.875 -3.820 -8.745 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.521 -0.404 -6.278 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.697 -1.416 -9.379 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.318 0.664 -8.889 1.00 0.00 H new ATOM 945 N ASN A 60 -9.973 -8.136 -7.733 1.00 0.00 N ATOM 946 CA ASN A 60 -9.708 -9.564 -7.977 1.00 0.00 C ATOM 947 C ASN A 60 -8.620 -10.148 -7.029 1.00 0.00 C ATOM 948 O ASN A 60 -8.044 -11.195 -7.334 1.00 0.00 O ATOM 949 CB ASN A 60 -9.433 -9.762 -9.495 1.00 0.00 C ATOM 950 CG ASN A 60 -9.893 -11.089 -10.083 1.00 0.00 C ATOM 951 OD1 ASN A 60 -10.540 -11.138 -11.124 1.00 0.00 O ATOM 952 ND2 ASN A 60 -9.560 -12.199 -9.467 1.00 0.00 N ATOM 0 H ASN A 60 -10.934 -7.958 -7.442 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.588 -10.155 -7.722 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.921 -8.955 -10.042 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.361 -9.662 -9.667 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.839 -13.101 -9.854 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.022 -12.160 -8.601 1.00 0.00 H new ATOM 959 N ILE A 61 -8.316 -9.486 -5.900 1.00 0.00 N ATOM 960 CA ILE A 61 -7.340 -9.957 -4.901 1.00 0.00 C ATOM 961 C ILE A 61 -7.975 -11.057 -4.041 1.00 0.00 C ATOM 962 O ILE A 61 -9.094 -10.890 -3.555 1.00 0.00 O ATOM 963 CB ILE A 61 -6.807 -8.792 -4.025 1.00 0.00 C ATOM 964 CG1 ILE A 61 -6.407 -7.561 -4.880 1.00 0.00 C ATOM 965 CG2 ILE A 61 -5.624 -9.264 -3.161 1.00 0.00 C ATOM 966 CD1 ILE A 61 -5.899 -6.341 -4.098 1.00 0.00 C ATOM 0 H ILE A 61 -8.747 -8.596 -5.651 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.480 -10.372 -5.426 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.618 -8.479 -3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.632 -7.867 -5.583 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.271 -7.256 -5.471 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.263 -8.434 -2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.950 -10.075 -2.510 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.820 -9.617 -3.807 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.649 -5.541 -4.795 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.676 -5.998 -3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.011 -6.617 -3.529 1.00 0.00 H new ATOM 978 N GLN A 62 -7.261 -12.166 -3.836 1.00 0.00 N ATOM 979 CA GLN A 62 -7.730 -13.334 -3.095 1.00 0.00 C ATOM 980 C GLN A 62 -6.914 -13.584 -1.810 1.00 0.00 C ATOM 981 O GLN A 62 -6.037 -12.815 -1.409 1.00 0.00 O ATOM 982 CB GLN A 62 -7.842 -14.553 -4.040 1.00 0.00 C ATOM 983 CG GLN A 62 -6.532 -15.073 -4.668 1.00 0.00 C ATOM 984 CD GLN A 62 -6.139 -14.376 -5.972 1.00 0.00 C ATOM 985 OE1 GLN A 62 -5.159 -13.646 -6.039 1.00 0.00 O ATOM 986 NE2 GLN A 62 -6.934 -14.457 -7.019 1.00 0.00 N ATOM 0 H GLN A 62 -6.312 -12.277 -4.193 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.737 -13.139 -2.726 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.300 -15.372 -3.485 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.526 -14.294 -4.848 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.724 -14.951 -3.947 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.633 -16.142 -4.857 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.757 -15.058 -6.989 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.726 -13.919 -7.860 1.00 0.00 H new ATOM 995 N LYS A 63 -7.247 -14.661 -1.093 1.00 0.00 N ATOM 996 CA LYS A 63 -6.497 -15.117 0.088 1.00 0.00 C ATOM 997 C LYS A 63 -5.063 -15.492 -0.321 1.00 0.00 C ATOM 998 O LYS A 63 -4.861 -16.151 -1.339 1.00 0.00 O ATOM 999 CB LYS A 63 -7.265 -16.276 0.770 1.00 0.00 C ATOM 1000 CG LYS A 63 -7.315 -17.550 -0.114 1.00 0.00 C ATOM 1001 CD LYS A 63 -8.514 -18.483 0.145 1.00 0.00 C ATOM 1002 CE LYS A 63 -9.007 -19.140 -1.159 1.00 0.00 C ATOM 1003 NZ LYS A 63 -8.016 -20.055 -1.780 1.00 0.00 N ATOM 0 H LYS A 63 -8.051 -15.248 -1.315 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.411 -14.318 0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.788 -16.515 1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.281 -15.953 0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.331 -17.246 -1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.396 -18.115 0.039 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.228 -19.256 0.858 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.327 -17.916 0.598 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.921 -19.696 -0.952 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.264 -18.359 -1.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.415 -20.460 -2.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.151 -19.526 -2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.787 -20.822 -1.115 1.00 0.00 H new ATOM 1017 N GLU A 64 -4.090 -15.082 0.490 1.00 0.00 N ATOM 1018 CA GLU A 64 -2.653 -15.349 0.307 1.00 0.00 C ATOM 1019 C GLU A 64 -2.024 -14.724 -0.960 1.00 0.00 C ATOM 1020 O GLU A 64 -0.906 -15.078 -1.323 1.00 0.00 O ATOM 1021 CB GLU A 64 -2.332 -16.853 0.529 1.00 0.00 C ATOM 1022 CG GLU A 64 -2.471 -17.231 2.014 1.00 0.00 C ATOM 1023 CD GLU A 64 -2.627 -18.727 2.292 1.00 0.00 C ATOM 1024 OE1 GLU A 64 -3.157 -19.518 1.470 1.00 0.00 O ATOM 1025 OE2 GLU A 64 -2.312 -19.091 3.452 1.00 0.00 O ATOM 0 H GLU A 64 -4.282 -14.532 1.328 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.136 -14.803 1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.006 -17.465 -0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.319 -17.067 0.189 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.593 -16.868 2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.334 -16.709 2.426 1.00 0.00 H new ATOM 1032 N SER A 65 -2.683 -13.741 -1.593 1.00 0.00 N ATOM 1033 CA SER A 65 -2.140 -13.014 -2.752 1.00 0.00 C ATOM 1034 C SER A 65 -0.850 -12.230 -2.458 1.00 0.00 C ATOM 1035 O SER A 65 -0.773 -11.469 -1.490 1.00 0.00 O ATOM 1036 CB SER A 65 -3.150 -11.992 -3.283 1.00 0.00 C ATOM 1037 OG SER A 65 -4.331 -12.606 -3.745 1.00 0.00 O ATOM 0 H SER A 65 -3.612 -13.426 -1.314 1.00 0.00 H new ATOM 0 HA SER A 65 -1.923 -13.798 -3.477 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.396 -11.282 -2.493 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.697 -11.422 -4.094 1.00 0.00 H new ATOM 0 HG SER A 65 -4.218 -12.868 -4.683 1.00 0.00 H new ATOM 1043 N THR A 66 0.117 -12.317 -3.375 1.00 0.00 N ATOM 1044 CA THR A 66 1.305 -11.449 -3.445 1.00 0.00 C ATOM 1045 C THR A 66 1.122 -10.105 -4.150 1.00 0.00 C ATOM 1046 O THR A 66 1.023 -10.042 -5.376 1.00 0.00 O ATOM 1047 CB THR A 66 2.553 -12.176 -3.989 1.00 0.00 C ATOM 1048 OG1 THR A 66 2.533 -13.548 -3.674 1.00 0.00 O ATOM 1049 CG2 THR A 66 3.857 -11.588 -3.448 1.00 0.00 C ATOM 0 H THR A 66 0.098 -13.017 -4.117 1.00 0.00 H new ATOM 0 HA THR A 66 1.466 -11.201 -2.396 1.00 0.00 H new ATOM 0 HB THR A 66 2.518 -12.038 -5.070 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.336 -13.978 -4.035 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.703 -12.136 -3.862 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.929 -10.539 -3.734 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.869 -11.669 -2.361 1.00 0.00 H new ATOM 1057 N LEU A 67 1.116 -9.014 -3.387 1.00 0.00 N ATOM 1058 CA LEU A 67 1.274 -7.648 -3.886 1.00 0.00 C ATOM 1059 C LEU A 67 2.762 -7.316 -4.081 1.00 0.00 C ATOM 1060 O LEU A 67 3.619 -7.750 -3.310 1.00 0.00 O ATOM 1061 CB LEU A 67 0.628 -6.645 -2.912 1.00 0.00 C ATOM 1062 CG LEU A 67 -0.895 -6.814 -2.735 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -1.290 -7.728 -1.571 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -1.532 -5.449 -2.464 1.00 0.00 C ATOM 0 H LEU A 67 0.998 -9.056 -2.375 1.00 0.00 H new ATOM 0 HA LEU A 67 0.772 -7.572 -4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.107 -6.744 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.830 -5.634 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.248 -7.270 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.376 -7.795 -1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.873 -8.722 -1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.902 -7.318 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.608 -5.568 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.106 -5.023 -1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.336 -4.783 -3.304 1.00 0.00 H new ATOM 1076 N HIS A 68 3.072 -6.492 -5.076 1.00 0.00 N ATOM 1077 CA HIS A 68 4.342 -5.790 -5.173 1.00 0.00 C ATOM 1078 C HIS A 68 4.283 -4.480 -4.460 1.00 0.00 C ATOM 1079 O HIS A 68 3.244 -3.893 -4.164 1.00 0.00 O ATOM 1080 CB HIS A 68 4.790 -5.603 -6.629 1.00 0.00 C ATOM 1081 CG HIS A 68 5.354 -6.859 -7.230 1.00 0.00 C ATOM 1082 ND1 HIS A 68 4.690 -8.028 -7.525 1.00 0.00 N ATOM 1083 CD2 HIS A 68 6.673 -7.068 -7.553 1.00 0.00 C ATOM 1084 CE1 HIS A 68 5.582 -8.912 -8.000 1.00 0.00 C ATOM 1085 NE2 HIS A 68 6.813 -8.368 -8.023 1.00 0.00 N ATOM 0 H HIS A 68 2.437 -6.291 -5.848 1.00 0.00 H new ATOM 0 HA HIS A 68 5.091 -6.414 -4.685 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.941 -5.270 -7.226 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.541 -4.814 -6.675 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.468 -6.343 -7.458 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.345 -9.917 -8.318 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.676 -8.820 -8.325 1.00 0.00 H new ATOM 1093 N LEU A 69 5.489 -4.008 -4.250 1.00 0.00 N ATOM 1094 CA LEU A 69 5.694 -2.639 -3.975 1.00 0.00 C ATOM 1095 C LEU A 69 6.376 -1.862 -5.096 1.00 0.00 C ATOM 1096 O LEU A 69 7.162 -2.418 -5.860 1.00 0.00 O ATOM 1097 CB LEU A 69 6.528 -2.500 -2.718 1.00 0.00 C ATOM 1098 CG LEU A 69 6.688 -1.169 -1.983 1.00 0.00 C ATOM 1099 CD1 LEU A 69 5.324 -0.667 -1.544 1.00 0.00 C ATOM 1100 CD2 LEU A 69 7.567 -1.349 -0.748 1.00 0.00 C ATOM 0 H LEU A 69 6.339 -4.572 -4.269 1.00 0.00 H new ATOM 0 HA LEU A 69 4.699 -2.209 -3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.124 -3.209 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.532 -2.840 -2.971 1.00 0.00 H new ATOM 0 HG LEU A 69 7.154 -0.451 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.437 0.282 -1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.690 -0.525 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.865 -1.397 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.673 -0.394 -0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.107 -2.073 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.550 -1.709 -1.051 1.00 0.00 H new ATOM 1112 N VAL A 70 6.206 -0.544 -5.050 1.00 0.00 N ATOM 1113 CA VAL A 70 7.298 0.380 -5.367 1.00 0.00 C ATOM 1114 C VAL A 70 7.586 1.449 -4.353 1.00 0.00 C ATOM 1115 O VAL A 70 6.740 1.799 -3.552 1.00 0.00 O ATOM 1116 CB VAL A 70 7.130 1.147 -6.707 1.00 0.00 C ATOM 1117 CG1 VAL A 70 8.435 1.704 -7.299 1.00 0.00 C ATOM 1118 CG2 VAL A 70 6.466 0.298 -7.784 1.00 0.00 C ATOM 0 H VAL A 70 5.328 -0.090 -4.798 1.00 0.00 H new ATOM 0 HA VAL A 70 8.120 -0.335 -5.403 1.00 0.00 H new ATOM 0 HB VAL A 70 6.494 1.987 -6.428 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.219 2.223 -8.233 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.886 2.401 -6.593 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.126 0.884 -7.492 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.372 0.881 -8.700 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.074 -0.586 -7.977 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.476 -0.009 -7.446 1.00 0.00 H new ATOM 1128 N LEU A 71 8.741 2.067 -4.504 1.00 0.00 N ATOM 1129 CA LEU A 71 8.902 3.478 -4.248 1.00 0.00 C ATOM 1130 C LEU A 71 7.854 4.456 -4.788 1.00 0.00 C ATOM 1131 O LEU A 71 7.123 4.221 -5.750 1.00 0.00 O ATOM 1132 CB LEU A 71 10.265 3.960 -4.758 1.00 0.00 C ATOM 1133 CG LEU A 71 11.460 3.982 -3.774 1.00 0.00 C ATOM 1134 CD1 LEU A 71 11.644 5.354 -3.132 1.00 0.00 C ATOM 1135 CD2 LEU A 71 11.419 2.912 -2.681 1.00 0.00 C ATOM 0 H LEU A 71 9.595 1.600 -4.809 1.00 0.00 H new ATOM 0 HA LEU A 71 8.785 3.509 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.544 3.330 -5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.135 4.971 -5.143 1.00 0.00 H new ATOM 0 HG LEU A 71 12.317 3.747 -4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.493 5.325 -2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.828 6.097 -3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.743 5.621 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.298 3.009 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.519 3.040 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.412 1.923 -3.140 1.00 0.00 H new ATOM 1147 N ARG A 72 7.893 5.642 -4.175 1.00 0.00 N ATOM 1148 CA ARG A 72 7.474 6.876 -4.815 1.00 0.00 C ATOM 1149 C ARG A 72 8.603 7.459 -5.681 1.00 0.00 C ATOM 1150 O ARG A 72 9.762 7.387 -5.291 1.00 0.00 O ATOM 1151 CB ARG A 72 6.975 7.877 -3.739 1.00 0.00 C ATOM 1152 CG ARG A 72 5.579 8.449 -4.064 1.00 0.00 C ATOM 1153 CD ARG A 72 4.739 8.783 -2.819 1.00 0.00 C ATOM 1154 NE ARG A 72 5.033 10.089 -2.190 1.00 0.00 N ATOM 1155 CZ ARG A 72 4.289 11.181 -2.295 1.00 0.00 C ATOM 1156 NH1 ARG A 72 3.491 11.368 -3.310 1.00 0.00 N ATOM 1157 NH2 ARG A 72 4.294 12.121 -1.396 1.00 0.00 N ATOM 0 H ARG A 72 8.219 5.766 -3.216 1.00 0.00 H new ATOM 0 HA ARG A 72 6.644 6.670 -5.491 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.943 7.378 -2.771 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.688 8.697 -3.652 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.697 9.351 -4.664 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.035 7.729 -4.675 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.685 8.761 -3.095 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.891 7.999 -2.077 1.00 0.00 H new ATOM 0 HE ARG A 72 5.881 10.155 -1.627 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.429 10.665 -4.046 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.929 12.217 -3.367 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.887 12.034 -0.570 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.705 12.945 -1.517 1.00 0.00 H new ATOM 1171 N LEU A 73 8.264 8.011 -6.852 1.00 0.00 N ATOM 1172 CA LEU A 73 9.248 8.417 -7.874 1.00 0.00 C ATOM 1173 C LEU A 73 8.954 9.795 -8.496 1.00 0.00 C ATOM 1174 O LEU A 73 9.807 10.675 -8.442 1.00 0.00 O ATOM 1175 CB LEU A 73 9.376 7.298 -8.940 1.00 0.00 C ATOM 1176 CG LEU A 73 10.813 6.876 -9.308 1.00 0.00 C ATOM 1177 CD1 LEU A 73 11.662 8.040 -9.817 1.00 0.00 C ATOM 1178 CD2 LEU A 73 11.531 6.190 -8.144 1.00 0.00 C ATOM 0 H LEU A 73 7.297 8.191 -7.123 1.00 0.00 H new ATOM 0 HA LEU A 73 10.211 8.544 -7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.841 6.419 -8.581 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.872 7.629 -9.848 1.00 0.00 H new ATOM 0 HG LEU A 73 10.699 6.159 -10.121 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.662 7.682 -10.060 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.201 8.463 -10.710 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.729 8.807 -9.045 1.00 0.00 H new ATOM 0 HD21 LEU A 73 12.539 5.911 -8.452 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.586 6.874 -7.297 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.980 5.295 -7.853 1.00 0.00 H new ATOM 1190 N ARG A 74 7.752 10.016 -9.056 1.00 0.00 N ATOM 1191 CA ARG A 74 7.306 11.369 -9.449 1.00 0.00 C ATOM 1192 C ARG A 74 6.867 12.185 -8.224 1.00 0.00 C ATOM 1193 O ARG A 74 6.365 11.622 -7.253 1.00 0.00 O ATOM 1194 CB ARG A 74 6.228 11.330 -10.553 1.00 0.00 C ATOM 1195 CG ARG A 74 4.902 10.646 -10.161 1.00 0.00 C ATOM 1196 CD ARG A 74 3.664 11.528 -10.398 1.00 0.00 C ATOM 1197 NE ARG A 74 3.399 11.766 -11.832 1.00 0.00 N ATOM 1198 CZ ARG A 74 2.233 11.700 -12.458 1.00 0.00 C ATOM 1199 NH1 ARG A 74 1.109 11.429 -11.860 1.00 0.00 N ATOM 1200 NH2 ARG A 74 2.206 11.909 -13.741 1.00 0.00 N ATOM 0 H ARG A 74 7.072 9.280 -9.247 1.00 0.00 H new ATOM 0 HA ARG A 74 8.162 11.883 -9.886 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.012 12.353 -10.862 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.640 10.815 -11.421 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.796 9.723 -10.731 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.944 10.367 -9.108 1.00 0.00 H new ATOM 0 HD2 ARG A 74 2.793 11.054 -9.946 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.803 12.485 -9.895 1.00 0.00 H new ATOM 0 HE ARG A 74 4.206 12.009 -12.406 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.095 11.254 -10.855 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.242 11.392 -12.396 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.070 12.118 -14.242 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.321 11.864 -14.247 1.00 0.00 H new ATOM 1214 N GLY A 75 7.021 13.504 -8.303 1.00 0.00 N ATOM 1215 CA GLY A 75 6.713 14.457 -7.231 1.00 0.00 C ATOM 1216 C GLY A 75 6.641 15.894 -7.758 1.00 0.00 C ATOM 1217 O GLY A 75 6.106 16.120 -8.844 1.00 0.00 O ATOM 0 H GLY A 75 7.376 13.959 -9.144 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.763 14.190 -6.768 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.475 14.391 -6.455 1.00 0.00 H new ATOM 1221 N GLY A 76 7.195 16.846 -7.003 1.00 0.00 N ATOM 1222 CA GLY A 76 7.313 18.266 -7.358 1.00 0.00 C ATOM 1223 C GLY A 76 8.216 19.020 -6.395 1.00 0.00 C ATOM 1224 O GLY A 76 8.366 18.559 -5.244 1.00 0.00 O ATOM 1225 OXT GLY A 76 8.765 20.055 -6.821 1.00 0.00 O ATOM 0 H GLY A 76 7.592 16.641 -6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 76 7.707 18.355 -8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 76 6.323 18.723 -7.360 1.00 0.00 H new TER 1229 GLY A 76