USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 530 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 Single : A 1 MET CE :methyl 139:sc= -0.214 (180deg=-0.909) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.0591 (180deg=-0.271) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0049 USER MOD Single : A 12 ASN : amide:sc= -2.04! K(o=-2!,f=-1.5) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -174:sc= -2! USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.666 X(o=-0.67,f=-0.21) USER MOD Single : A 28 SER OG : rot -52:sc= 0.00427 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0258 USER MOD Single : A 50 SER OG : rot -35:sc= 0.186 USER MOD Single : A 56 LYS NZ :NH3+ -173:sc=-0.00688 (180deg=-0.0864) USER MOD Single : A 61 HIS : no HD1:sc= -0.3 K(o=-0.3,f=-0.87) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 66 HIS : no HD1:sc= -0.392 X(o=-0.39,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.124 -4.255 6.615 1.00 43.15 N ATOM 2 CA MET A 1 8.033 -3.880 5.510 1.00 14.00 C ATOM 3 C MET A 1 7.284 -3.931 4.183 1.00 24.44 C ATOM 4 O MET A 1 6.675 -4.944 3.838 1.00 21.33 O ATOM 5 CB MET A 1 9.261 -4.800 5.481 1.00 34.35 C ATOM 6 CG MET A 1 8.930 -6.284 5.421 1.00 22.35 C ATOM 7 SD MET A 1 10.399 -7.323 5.550 1.00 64.23 S ATOM 8 CE MET A 1 10.978 -6.891 7.190 1.00 3.51 C ATOM 0 H1 MET A 1 7.679 -4.433 7.476 1.00 43.15 H new ATOM 0 H2 MET A 1 6.452 -3.480 6.790 1.00 43.15 H new ATOM 0 H3 MET A 1 6.600 -5.116 6.357 1.00 43.15 H new ATOM 0 HA MET A 1 8.384 -2.861 5.673 1.00 14.00 H new ATOM 0 HB2 MET A 1 9.874 -4.541 4.618 1.00 34.35 H new ATOM 0 HB3 MET A 1 9.864 -4.610 6.369 1.00 34.35 H new ATOM 0 HG2 MET A 1 8.241 -6.532 6.228 1.00 22.35 H new ATOM 0 HG3 MET A 1 8.416 -6.501 4.485 1.00 22.35 H new ATOM 0 HE1 MET A 1 11.317 -7.790 7.705 1.00 3.51 H new ATOM 0 HE2 MET A 1 11.805 -6.186 7.110 1.00 3.51 H new ATOM 0 HE3 MET A 1 10.165 -6.434 7.754 1.00 3.51 H new ATOM 20 N ILE A 2 7.318 -2.829 3.451 1.00 64.52 N ATOM 21 CA ILE A 2 6.546 -2.702 2.224 1.00 1.30 C ATOM 22 C ILE A 2 7.307 -3.242 1.015 1.00 51.42 C ATOM 23 O ILE A 2 8.529 -3.112 0.921 1.00 52.12 O ATOM 24 CB ILE A 2 6.167 -1.231 1.967 1.00 72.41 C ATOM 25 CG1 ILE A 2 5.435 -0.645 3.177 1.00 4.53 C ATOM 26 CG2 ILE A 2 5.307 -1.110 0.720 1.00 44.43 C ATOM 27 CD1 ILE A 2 5.102 0.825 3.032 1.00 22.21 C ATOM 0 H ILE A 2 7.874 -2.007 3.686 1.00 64.52 H new ATOM 0 HA ILE A 2 5.642 -3.296 2.357 1.00 1.30 H new ATOM 0 HB ILE A 2 7.085 -0.665 1.810 1.00 72.41 H new ATOM 0 HG12 ILE A 2 4.513 -1.203 3.338 1.00 4.53 H new ATOM 0 HG13 ILE A 2 6.051 -0.783 4.066 1.00 4.53 H new ATOM 0 HG21 ILE A 2 5.050 -0.064 0.556 1.00 44.43 H new ATOM 0 HG22 ILE A 2 5.859 -1.488 -0.141 1.00 44.43 H new ATOM 0 HG23 ILE A 2 4.394 -1.692 0.849 1.00 44.43 H new ATOM 0 HD11 ILE A 2 4.585 1.171 3.927 1.00 22.21 H new ATOM 0 HD12 ILE A 2 6.022 1.395 2.901 1.00 22.21 H new ATOM 0 HD13 ILE A 2 4.460 0.969 2.163 1.00 22.21 H new ATOM 39 N PHE A 3 6.561 -3.847 0.099 1.00 73.12 N ATOM 40 CA PHE A 3 7.108 -4.366 -1.147 1.00 71.44 C ATOM 41 C PHE A 3 6.187 -3.987 -2.303 1.00 11.33 C ATOM 42 O PHE A 3 4.998 -3.732 -2.090 1.00 0.12 O ATOM 43 CB PHE A 3 7.251 -5.892 -1.087 1.00 60.12 C ATOM 44 CG PHE A 3 8.223 -6.376 -0.048 1.00 70.45 C ATOM 45 CD1 PHE A 3 9.587 -6.236 -0.240 1.00 53.53 C ATOM 46 CD2 PHE A 3 7.770 -6.974 1.116 1.00 70.45 C ATOM 47 CE1 PHE A 3 10.485 -6.683 0.709 1.00 24.44 C ATOM 48 CE2 PHE A 3 8.662 -7.424 2.072 1.00 52.40 C ATOM 49 CZ PHE A 3 10.021 -7.278 1.869 1.00 54.14 C ATOM 0 H PHE A 3 5.556 -3.992 0.200 1.00 73.12 H new ATOM 0 HA PHE A 3 8.096 -3.931 -1.300 1.00 71.44 H new ATOM 0 HB2 PHE A 3 6.273 -6.330 -0.887 1.00 60.12 H new ATOM 0 HB3 PHE A 3 7.569 -6.255 -2.064 1.00 60.12 H new ATOM 0 HD1 PHE A 3 9.953 -5.771 -1.143 1.00 53.53 H new ATOM 0 HD2 PHE A 3 6.709 -7.090 1.279 1.00 70.45 H new ATOM 0 HE1 PHE A 3 11.547 -6.569 0.546 1.00 24.44 H new ATOM 0 HE2 PHE A 3 8.297 -7.889 2.976 1.00 52.40 H new ATOM 0 HZ PHE A 3 10.720 -7.628 2.614 1.00 54.14 H new ATOM 59 N PRO A 4 6.716 -3.923 -3.534 1.00 4.44 N ATOM 60 CA PRO A 4 5.903 -3.633 -4.714 1.00 54.31 C ATOM 61 C PRO A 4 4.863 -4.724 -4.962 1.00 22.15 C ATOM 62 O PRO A 4 5.175 -5.918 -4.923 1.00 74.25 O ATOM 63 CB PRO A 4 6.918 -3.575 -5.861 1.00 10.41 C ATOM 64 CG PRO A 4 8.117 -4.305 -5.362 1.00 61.04 C ATOM 65 CD PRO A 4 8.136 -4.117 -3.870 1.00 2.53 C ATOM 0 HA PRO A 4 5.335 -2.709 -4.605 1.00 54.31 H new ATOM 0 HB2 PRO A 4 6.520 -4.042 -6.762 1.00 10.41 H new ATOM 0 HB3 PRO A 4 7.163 -2.544 -6.117 1.00 10.41 H new ATOM 0 HG2 PRO A 4 8.063 -5.363 -5.620 1.00 61.04 H new ATOM 0 HG3 PRO A 4 9.027 -3.912 -5.815 1.00 61.04 H new ATOM 0 HD2 PRO A 4 8.555 -4.985 -3.361 1.00 2.53 H new ATOM 0 HD3 PRO A 4 8.739 -3.256 -3.581 1.00 2.53 H new ATOM 73 N GLY A 5 3.628 -4.309 -5.198 1.00 63.33 N ATOM 74 CA GLY A 5 2.548 -5.254 -5.389 1.00 12.00 C ATOM 75 C GLY A 5 1.703 -5.418 -4.142 1.00 12.52 C ATOM 76 O GLY A 5 0.656 -6.068 -4.170 1.00 14.22 O ATOM 0 H GLY A 5 3.353 -3.329 -5.261 1.00 63.33 H new ATOM 0 HA2 GLY A 5 1.917 -4.920 -6.212 1.00 12.00 H new ATOM 0 HA3 GLY A 5 2.960 -6.221 -5.676 1.00 12.00 H new ATOM 80 N ALA A 6 2.148 -4.819 -3.045 1.00 14.51 N ATOM 81 CA ALA A 6 1.444 -4.938 -1.778 1.00 54.11 C ATOM 82 C ALA A 6 0.495 -3.765 -1.564 1.00 13.43 C ATOM 83 O ALA A 6 0.764 -2.645 -2.011 1.00 72.11 O ATOM 84 CB ALA A 6 2.437 -5.030 -0.630 1.00 25.44 C ATOM 0 H ALA A 6 2.992 -4.247 -3.008 1.00 14.51 H new ATOM 0 HA ALA A 6 0.850 -5.852 -1.806 1.00 54.11 H new ATOM 0 HB1 ALA A 6 1.896 -5.119 0.312 1.00 25.44 H new ATOM 0 HB2 ALA A 6 3.072 -5.905 -0.768 1.00 25.44 H new ATOM 0 HB3 ALA A 6 3.055 -4.132 -0.611 1.00 25.44 H new ATOM 90 N THR A 7 -0.614 -4.035 -0.893 1.00 51.21 N ATOM 91 CA THR A 7 -1.587 -3.007 -0.576 1.00 54.13 C ATOM 92 C THR A 7 -1.216 -2.322 0.733 1.00 51.10 C ATOM 93 O THR A 7 -1.025 -2.977 1.759 1.00 74.32 O ATOM 94 CB THR A 7 -2.999 -3.599 -0.450 1.00 74.52 C ATOM 95 OG1 THR A 7 -3.274 -4.465 -1.563 1.00 13.22 O ATOM 96 CG2 THR A 7 -4.047 -2.498 -0.394 1.00 1.10 C ATOM 0 H THR A 7 -0.862 -4.965 -0.556 1.00 51.21 H new ATOM 0 HA THR A 7 -1.582 -2.282 -1.390 1.00 54.13 H new ATOM 0 HB THR A 7 -3.043 -4.171 0.477 1.00 74.52 H new ATOM 0 HG1 THR A 7 -4.176 -4.838 -1.472 1.00 13.22 H new ATOM 0 HG21 THR A 7 -5.038 -2.943 -0.305 1.00 1.10 H new ATOM 0 HG22 THR A 7 -3.857 -1.859 0.468 1.00 1.10 H new ATOM 0 HG23 THR A 7 -3.998 -1.902 -1.305 1.00 1.10 H new ATOM 104 N VAL A 8 -1.116 -1.011 0.692 1.00 72.42 N ATOM 105 CA VAL A 8 -0.718 -0.243 1.852 1.00 51.42 C ATOM 106 C VAL A 8 -1.749 0.828 2.176 1.00 40.54 C ATOM 107 O VAL A 8 -2.417 1.362 1.287 1.00 43.24 O ATOM 108 CB VAL A 8 0.664 0.415 1.660 1.00 14.01 C ATOM 109 CG1 VAL A 8 1.756 -0.641 1.597 1.00 41.15 C ATOM 110 CG2 VAL A 8 0.676 1.283 0.412 1.00 30.33 C ATOM 0 H VAL A 8 -1.306 -0.451 -0.139 1.00 72.42 H new ATOM 0 HA VAL A 8 -0.652 -0.943 2.685 1.00 51.42 H new ATOM 0 HB VAL A 8 0.862 1.056 2.519 1.00 14.01 H new ATOM 0 HG11 VAL A 8 2.723 -0.157 1.461 1.00 41.15 H new ATOM 0 HG12 VAL A 8 1.763 -1.213 2.525 1.00 41.15 H new ATOM 0 HG13 VAL A 8 1.565 -1.312 0.759 1.00 41.15 H new ATOM 0 HG21 VAL A 8 1.660 1.738 0.295 1.00 30.33 H new ATOM 0 HG22 VAL A 8 0.454 0.669 -0.461 1.00 30.33 H new ATOM 0 HG23 VAL A 8 -0.077 2.066 0.506 1.00 30.33 H new ATOM 120 N ARG A 9 -1.876 1.124 3.454 1.00 63.41 N ATOM 121 CA ARG A 9 -2.804 2.138 3.916 1.00 32.25 C ATOM 122 C ARG A 9 -2.032 3.336 4.444 1.00 21.14 C ATOM 123 O ARG A 9 -1.073 3.180 5.207 1.00 3.21 O ATOM 124 CB ARG A 9 -3.721 1.553 4.992 1.00 52.41 C ATOM 125 CG ARG A 9 -4.642 2.564 5.652 1.00 33.21 C ATOM 126 CD ARG A 9 -5.819 1.875 6.324 1.00 53.24 C ATOM 127 NE ARG A 9 -5.396 0.773 7.189 1.00 73.03 N ATOM 128 CZ ARG A 9 -6.028 -0.399 7.270 1.00 13.15 C ATOM 129 NH1 ARG A 9 -7.067 -0.660 6.490 1.00 33.24 N ATOM 130 NH2 ARG A 9 -5.602 -1.326 8.117 1.00 53.40 N ATOM 0 H ARG A 9 -1.343 0.672 4.197 1.00 63.41 H new ATOM 0 HA ARG A 9 -3.426 2.471 3.085 1.00 32.25 H new ATOM 0 HB2 ARG A 9 -4.328 0.765 4.545 1.00 52.41 H new ATOM 0 HB3 ARG A 9 -3.106 1.085 5.760 1.00 52.41 H new ATOM 0 HG2 ARG A 9 -4.085 3.141 6.390 1.00 33.21 H new ATOM 0 HG3 ARG A 9 -5.007 3.269 4.906 1.00 33.21 H new ATOM 0 HD2 ARG A 9 -6.376 2.604 6.913 1.00 53.24 H new ATOM 0 HD3 ARG A 9 -6.499 1.495 5.561 1.00 53.24 H new ATOM 0 HE ARG A 9 -4.566 0.910 7.766 1.00 73.03 H new ATOM 0 HH11 ARG A 9 -7.390 0.038 5.820 1.00 33.24 H new ATOM 0 HH12 ARG A 9 -7.544 -1.559 6.559 1.00 33.24 H new ATOM 0 HH21 ARG A 9 -4.790 -1.143 8.707 1.00 53.40 H new ATOM 0 HH22 ARG A 9 -6.086 -2.222 8.178 1.00 53.40 H new ATOM 144 N VAL A 10 -2.435 4.526 4.016 1.00 74.35 N ATOM 145 CA VAL A 10 -1.769 5.747 4.431 1.00 1.25 C ATOM 146 C VAL A 10 -2.183 6.121 5.846 1.00 42.14 C ATOM 147 O VAL A 10 -3.270 6.655 6.061 1.00 11.12 O ATOM 148 CB VAL A 10 -2.085 6.923 3.481 1.00 61.51 C ATOM 149 CG1 VAL A 10 -1.282 8.158 3.866 1.00 4.04 C ATOM 150 CG2 VAL A 10 -1.813 6.536 2.035 1.00 50.11 C ATOM 0 H VAL A 10 -3.221 4.668 3.381 1.00 74.35 H new ATOM 0 HA VAL A 10 -0.696 5.557 4.397 1.00 1.25 H new ATOM 0 HB VAL A 10 -3.144 7.161 3.577 1.00 61.51 H new ATOM 0 HG11 VAL A 10 -1.520 8.974 3.184 1.00 4.04 H new ATOM 0 HG12 VAL A 10 -1.533 8.452 4.885 1.00 4.04 H new ATOM 0 HG13 VAL A 10 -0.217 7.933 3.805 1.00 4.04 H new ATOM 0 HG21 VAL A 10 -2.042 7.379 1.383 1.00 50.11 H new ATOM 0 HG22 VAL A 10 -0.763 6.265 1.922 1.00 50.11 H new ATOM 0 HG23 VAL A 10 -2.438 5.686 1.762 1.00 50.11 H new ATOM 160 N THR A 11 -1.330 5.803 6.810 1.00 64.33 N ATOM 161 CA THR A 11 -1.586 6.143 8.199 1.00 75.42 C ATOM 162 C THR A 11 -0.775 7.357 8.626 1.00 15.13 C ATOM 163 O THR A 11 -0.751 7.728 9.801 1.00 13.34 O ATOM 164 CB THR A 11 -1.278 4.961 9.127 1.00 50.34 C ATOM 165 OG1 THR A 11 -0.077 4.304 8.701 1.00 10.35 O ATOM 166 CG2 THR A 11 -2.431 3.975 9.136 1.00 32.05 C ATOM 0 H THR A 11 -0.452 5.308 6.653 1.00 64.33 H new ATOM 0 HA THR A 11 -2.646 6.383 8.281 1.00 75.42 H new ATOM 0 HB THR A 11 -1.139 5.342 10.139 1.00 50.34 H new ATOM 0 HG1 THR A 11 0.114 3.552 9.299 1.00 10.35 H new ATOM 0 HG21 THR A 11 -2.194 3.144 9.800 1.00 32.05 H new ATOM 0 HG22 THR A 11 -3.334 4.474 9.488 1.00 32.05 H new ATOM 0 HG23 THR A 11 -2.595 3.598 8.127 1.00 32.05 H new ATOM 174 N ASN A 12 -0.114 7.973 7.656 1.00 22.11 N ATOM 175 CA ASN A 12 0.627 9.201 7.898 1.00 25.01 C ATOM 176 C ASN A 12 -0.349 10.351 8.116 1.00 63.21 C ATOM 177 O ASN A 12 -0.894 10.905 7.163 1.00 33.34 O ATOM 178 CB ASN A 12 1.567 9.499 6.727 1.00 11.20 C ATOM 179 CG ASN A 12 2.402 10.749 6.944 1.00 4.44 C ATOM 180 OD1 ASN A 12 2.698 11.125 8.076 1.00 74.13 O ATOM 181 ND2 ASN A 12 2.798 11.391 5.856 1.00 63.22 N ATOM 0 H ASN A 12 -0.076 7.641 6.692 1.00 22.11 H new ATOM 0 HA ASN A 12 1.236 9.082 8.794 1.00 25.01 H new ATOM 0 HB2 ASN A 12 2.230 8.647 6.574 1.00 11.20 H new ATOM 0 HB3 ASN A 12 0.980 9.614 5.816 1.00 11.20 H new ATOM 0 HD21 ASN A 12 3.371 12.231 5.939 1.00 63.22 H new ATOM 0 HD22 ASN A 12 2.530 11.046 4.934 1.00 63.22 H new ATOM 188 N VAL A 13 -0.562 10.693 9.381 1.00 35.20 N ATOM 189 CA VAL A 13 -1.600 11.649 9.771 1.00 4.03 C ATOM 190 C VAL A 13 -1.372 13.028 9.148 1.00 72.54 C ATOM 191 O VAL A 13 -2.321 13.752 8.860 1.00 25.43 O ATOM 192 CB VAL A 13 -1.668 11.792 11.308 1.00 14.21 C ATOM 193 CG1 VAL A 13 -2.820 12.697 11.732 1.00 12.23 C ATOM 194 CG2 VAL A 13 -1.788 10.426 11.968 1.00 23.31 C ATOM 0 H VAL A 13 -0.025 10.320 10.164 1.00 35.20 H new ATOM 0 HA VAL A 13 -2.545 11.254 9.398 1.00 4.03 H new ATOM 0 HB VAL A 13 -0.740 12.258 11.640 1.00 14.21 H new ATOM 0 HG11 VAL A 13 -2.839 12.776 12.819 1.00 12.23 H new ATOM 0 HG12 VAL A 13 -2.683 13.688 11.298 1.00 12.23 H new ATOM 0 HG13 VAL A 13 -3.762 12.275 11.382 1.00 12.23 H new ATOM 0 HG21 VAL A 13 -1.835 10.548 13.050 1.00 23.31 H new ATOM 0 HG22 VAL A 13 -2.695 9.932 11.619 1.00 23.31 H new ATOM 0 HG23 VAL A 13 -0.921 9.819 11.708 1.00 23.31 H new ATOM 204 N ASP A 14 -0.114 13.369 8.919 1.00 21.44 N ATOM 205 CA ASP A 14 0.244 14.697 8.423 1.00 75.40 C ATOM 206 C ASP A 14 0.044 14.807 6.910 1.00 23.21 C ATOM 207 O ASP A 14 0.129 15.895 6.335 1.00 74.31 O ATOM 208 CB ASP A 14 1.695 15.014 8.798 1.00 72.24 C ATOM 209 CG ASP A 14 2.120 16.410 8.388 1.00 72.12 C ATOM 210 OD1 ASP A 14 1.433 17.384 8.765 1.00 23.42 O ATOM 211 OD2 ASP A 14 3.157 16.543 7.705 1.00 13.53 O ATOM 0 H ASP A 14 0.680 12.747 9.068 1.00 21.44 H new ATOM 0 HA ASP A 14 -0.418 15.426 8.892 1.00 75.40 H new ATOM 0 HB2 ASP A 14 1.819 14.904 9.875 1.00 72.24 H new ATOM 0 HB3 ASP A 14 2.354 14.286 8.326 1.00 72.24 H new ATOM 216 N ASP A 15 -0.260 13.692 6.263 1.00 52.50 N ATOM 217 CA ASP A 15 -0.378 13.682 4.809 1.00 73.20 C ATOM 218 C ASP A 15 -1.799 14.043 4.364 1.00 12.41 C ATOM 219 O ASP A 15 -2.744 13.973 5.149 1.00 65.31 O ATOM 220 CB ASP A 15 0.020 12.320 4.242 1.00 45.44 C ATOM 221 CG ASP A 15 0.156 12.353 2.734 1.00 20.43 C ATOM 222 OD1 ASP A 15 1.238 12.739 2.241 1.00 12.31 O ATOM 223 OD2 ASP A 15 -0.829 12.033 2.038 1.00 45.21 O ATOM 0 H ASP A 15 -0.428 12.792 6.713 1.00 52.50 H new ATOM 0 HA ASP A 15 0.304 14.437 4.419 1.00 73.20 H new ATOM 0 HB2 ASP A 15 0.965 12.005 4.685 1.00 45.44 H new ATOM 0 HB3 ASP A 15 -0.727 11.578 4.523 1.00 45.44 H new ATOM 228 N THR A 16 -1.936 14.423 3.098 1.00 41.13 N ATOM 229 CA THR A 16 -3.209 14.858 2.542 1.00 64.03 C ATOM 230 C THR A 16 -4.134 13.671 2.247 1.00 72.34 C ATOM 231 O THR A 16 -5.359 13.813 2.248 1.00 60.41 O ATOM 232 CB THR A 16 -2.969 15.647 1.241 1.00 60.33 C ATOM 233 OG1 THR A 16 -1.875 16.557 1.427 1.00 11.41 O ATOM 234 CG2 THR A 16 -4.213 16.422 0.828 1.00 52.22 C ATOM 0 H THR A 16 -1.166 14.437 2.429 1.00 41.13 H new ATOM 0 HA THR A 16 -3.693 15.493 3.284 1.00 64.03 H new ATOM 0 HB THR A 16 -2.732 14.936 0.449 1.00 60.33 H new ATOM 0 HG1 THR A 16 -1.721 17.058 0.599 1.00 11.41 H new ATOM 0 HG21 THR A 16 -4.012 16.969 -0.093 1.00 52.22 H new ATOM 0 HG22 THR A 16 -5.037 15.727 0.666 1.00 52.22 H new ATOM 0 HG23 THR A 16 -4.482 17.126 1.616 1.00 52.22 H new ATOM 242 N TYR A 17 -3.552 12.504 1.996 1.00 0.34 N ATOM 243 CA TYR A 17 -4.333 11.330 1.629 1.00 23.04 C ATOM 244 C TYR A 17 -4.392 10.326 2.773 1.00 31.02 C ATOM 245 O TYR A 17 -4.534 9.119 2.551 1.00 72.15 O ATOM 246 CB TYR A 17 -3.759 10.684 0.367 1.00 11.13 C ATOM 247 CG TYR A 17 -3.932 11.550 -0.859 1.00 0.04 C ATOM 248 CD1 TYR A 17 -5.154 11.607 -1.516 1.00 13.35 C ATOM 249 CD2 TYR A 17 -2.888 12.324 -1.346 1.00 73.24 C ATOM 250 CE1 TYR A 17 -5.333 12.412 -2.622 1.00 33.50 C ATOM 251 CE2 TYR A 17 -3.058 13.130 -2.454 1.00 30.24 C ATOM 252 CZ TYR A 17 -4.283 13.171 -3.085 1.00 33.35 C ATOM 253 OH TYR A 17 -4.461 13.983 -4.182 1.00 1.20 O ATOM 0 H TYR A 17 -2.545 12.346 2.040 1.00 0.34 H new ATOM 0 HA TYR A 17 -5.353 11.652 1.421 1.00 23.04 H new ATOM 0 HB2 TYR A 17 -2.699 10.481 0.517 1.00 11.13 H new ATOM 0 HB3 TYR A 17 -4.247 9.724 0.201 1.00 11.13 H new ATOM 0 HD1 TYR A 17 -5.979 11.011 -1.155 1.00 13.35 H new ATOM 0 HD2 TYR A 17 -1.929 12.295 -0.851 1.00 73.24 H new ATOM 0 HE1 TYR A 17 -6.290 12.446 -3.121 1.00 33.50 H new ATOM 0 HE2 TYR A 17 -2.236 13.725 -2.824 1.00 30.24 H new ATOM 0 HH TYR A 17 -3.602 14.379 -4.439 1.00 1.20 H new ATOM 263 N TYR A 18 -4.306 10.837 3.995 1.00 21.32 N ATOM 264 CA TYR A 18 -4.444 10.016 5.192 1.00 35.44 C ATOM 265 C TYR A 18 -5.884 9.519 5.335 1.00 23.34 C ATOM 266 O TYR A 18 -6.695 10.123 6.041 1.00 52.04 O ATOM 267 CB TYR A 18 -4.011 10.808 6.435 1.00 63.21 C ATOM 268 CG TYR A 18 -4.344 10.141 7.756 1.00 64.50 C ATOM 269 CD1 TYR A 18 -3.941 8.842 8.027 1.00 44.33 C ATOM 270 CD2 TYR A 18 -5.076 10.814 8.726 1.00 62.01 C ATOM 271 CE1 TYR A 18 -4.254 8.232 9.226 1.00 64.41 C ATOM 272 CE2 TYR A 18 -5.395 10.211 9.928 1.00 62.45 C ATOM 273 CZ TYR A 18 -4.980 8.919 10.172 1.00 34.41 C ATOM 274 OH TYR A 18 -5.300 8.309 11.361 1.00 13.33 O ATOM 0 H TYR A 18 -4.140 11.825 4.184 1.00 21.32 H new ATOM 0 HA TYR A 18 -3.793 9.147 5.098 1.00 35.44 H new ATOM 0 HB2 TYR A 18 -2.935 10.973 6.388 1.00 63.21 H new ATOM 0 HB3 TYR A 18 -4.486 11.789 6.408 1.00 63.21 H new ATOM 0 HD1 TYR A 18 -3.372 8.298 7.287 1.00 44.33 H new ATOM 0 HD2 TYR A 18 -5.402 11.826 8.538 1.00 62.01 H new ATOM 0 HE1 TYR A 18 -3.930 7.220 9.420 1.00 64.41 H new ATOM 0 HE2 TYR A 18 -5.966 10.748 10.671 1.00 62.45 H new ATOM 0 HH TYR A 18 -5.814 8.930 11.919 1.00 13.33 H new ATOM 284 N ARG A 19 -6.190 8.439 4.615 1.00 52.41 N ATOM 285 CA ARG A 19 -7.503 7.794 4.649 1.00 70.53 C ATOM 286 C ARG A 19 -7.612 6.750 3.542 1.00 32.11 C ATOM 287 O ARG A 19 -8.359 5.777 3.671 1.00 4.11 O ATOM 288 CB ARG A 19 -8.657 8.803 4.513 1.00 45.30 C ATOM 289 CG ARG A 19 -8.651 9.613 3.227 1.00 55.41 C ATOM 290 CD ARG A 19 -9.830 10.574 3.183 1.00 73.43 C ATOM 291 NE ARG A 19 -9.861 11.371 1.956 1.00 4.25 N ATOM 292 CZ ARG A 19 -10.979 11.874 1.426 1.00 3.03 C ATOM 293 NH1 ARG A 19 -12.149 11.662 2.015 1.00 63.41 N ATOM 294 NH2 ARG A 19 -10.929 12.593 0.312 1.00 24.44 N ATOM 0 H ARG A 19 -5.528 7.984 3.987 1.00 52.41 H new ATOM 0 HA ARG A 19 -7.591 7.314 5.624 1.00 70.53 H new ATOM 0 HB2 ARG A 19 -9.602 8.264 4.581 1.00 45.30 H new ATOM 0 HB3 ARG A 19 -8.621 9.490 5.358 1.00 45.30 H new ATOM 0 HG2 ARG A 19 -7.718 10.172 3.149 1.00 55.41 H new ATOM 0 HG3 ARG A 19 -8.692 8.941 2.370 1.00 55.41 H new ATOM 0 HD2 ARG A 19 -10.758 10.009 3.268 1.00 73.43 H new ATOM 0 HD3 ARG A 19 -9.783 11.241 4.044 1.00 73.43 H new ATOM 0 HE ARG A 19 -8.978 11.553 1.478 1.00 4.25 H new ATOM 0 HH11 ARG A 19 -12.196 11.114 2.874 1.00 63.41 H new ATOM 0 HH12 ARG A 19 -13.002 12.047 1.609 1.00 63.41 H new ATOM 0 HH21 ARG A 19 -10.033 12.764 -0.145 1.00 24.44 H new ATOM 0 HH22 ARG A 19 -11.786 12.974 -0.088 1.00 24.44 H new ATOM 308 N PHE A 20 -6.864 6.946 2.462 1.00 43.52 N ATOM 309 CA PHE A 20 -6.942 6.059 1.311 1.00 74.24 C ATOM 310 C PHE A 20 -5.981 4.881 1.431 1.00 64.55 C ATOM 311 O PHE A 20 -4.996 4.930 2.174 1.00 14.14 O ATOM 312 CB PHE A 20 -6.652 6.830 0.024 1.00 64.01 C ATOM 313 CG PHE A 20 -7.769 7.735 -0.411 1.00 20.21 C ATOM 314 CD1 PHE A 20 -8.983 7.209 -0.826 1.00 61.00 C ATOM 315 CD2 PHE A 20 -7.606 9.110 -0.412 1.00 3.10 C ATOM 316 CE1 PHE A 20 -10.013 8.037 -1.232 1.00 21.43 C ATOM 317 CE2 PHE A 20 -8.633 9.943 -0.818 1.00 64.14 C ATOM 318 CZ PHE A 20 -9.838 9.406 -1.229 1.00 34.21 C ATOM 0 H PHE A 20 -6.197 7.711 2.361 1.00 43.52 H new ATOM 0 HA PHE A 20 -7.957 5.662 1.279 1.00 74.24 H new ATOM 0 HB2 PHE A 20 -5.750 7.425 0.165 1.00 64.01 H new ATOM 0 HB3 PHE A 20 -6.443 6.118 -0.775 1.00 64.01 H new ATOM 0 HD1 PHE A 20 -9.126 6.138 -0.832 1.00 61.00 H new ATOM 0 HD2 PHE A 20 -6.667 9.537 -0.092 1.00 3.10 H new ATOM 0 HE1 PHE A 20 -10.954 7.613 -1.551 1.00 21.43 H new ATOM 0 HE2 PHE A 20 -8.493 11.014 -0.814 1.00 64.14 H new ATOM 0 HZ PHE A 20 -10.640 10.055 -1.547 1.00 34.21 H new ATOM 328 N GLU A 21 -6.288 3.825 0.691 1.00 61.51 N ATOM 329 CA GLU A 21 -5.461 2.629 0.649 1.00 72.30 C ATOM 330 C GLU A 21 -5.112 2.317 -0.807 1.00 0.45 C ATOM 331 O GLU A 21 -5.986 2.360 -1.676 1.00 61.21 O ATOM 332 CB GLU A 21 -6.218 1.457 1.283 1.00 41.11 C ATOM 333 CG GLU A 21 -6.745 1.763 2.680 1.00 63.13 C ATOM 334 CD GLU A 21 -7.664 0.686 3.222 1.00 35.31 C ATOM 335 OE1 GLU A 21 -8.047 -0.219 2.456 1.00 22.25 O ATOM 336 OE2 GLU A 21 -8.020 0.750 4.422 1.00 44.55 O ATOM 0 H GLU A 21 -7.119 3.774 0.102 1.00 61.51 H new ATOM 0 HA GLU A 21 -4.541 2.791 1.211 1.00 72.30 H new ATOM 0 HB2 GLU A 21 -7.054 1.183 0.639 1.00 41.11 H new ATOM 0 HB3 GLU A 21 -5.557 0.592 1.333 1.00 41.11 H new ATOM 0 HG2 GLU A 21 -5.902 1.888 3.360 1.00 63.13 H new ATOM 0 HG3 GLU A 21 -7.281 2.712 2.659 1.00 63.13 H new ATOM 343 N GLY A 22 -3.851 2.015 -1.078 1.00 2.31 N ATOM 344 CA GLY A 22 -3.420 1.825 -2.453 1.00 63.35 C ATOM 345 C GLY A 22 -2.403 0.715 -2.588 1.00 73.24 C ATOM 346 O GLY A 22 -2.008 0.112 -1.593 1.00 21.41 O ATOM 0 H GLY A 22 -3.120 1.898 -0.377 1.00 2.31 H new ATOM 0 HA2 GLY A 22 -4.286 1.599 -3.075 1.00 63.35 H new ATOM 0 HA3 GLY A 22 -2.992 2.754 -2.829 1.00 63.35 H new ATOM 350 N LEU A 23 -1.970 0.442 -3.812 1.00 61.32 N ATOM 351 CA LEU A 23 -1.026 -0.626 -4.062 1.00 21.21 C ATOM 352 C LEU A 23 0.314 -0.056 -4.509 1.00 22.14 C ATOM 353 O LEU A 23 0.372 0.775 -5.413 1.00 30.11 O ATOM 354 CB LEU A 23 -1.571 -1.583 -5.125 1.00 4.45 C ATOM 355 CG LEU A 23 -2.673 -2.543 -4.656 1.00 23.34 C ATOM 356 CD1 LEU A 23 -3.993 -1.810 -4.449 1.00 44.10 C ATOM 357 CD2 LEU A 23 -2.848 -3.682 -5.652 1.00 41.45 C ATOM 0 H LEU A 23 -2.262 0.951 -4.646 1.00 61.32 H new ATOM 0 HA LEU A 23 -0.880 -1.180 -3.135 1.00 21.21 H new ATOM 0 HB2 LEU A 23 -1.959 -0.992 -5.955 1.00 4.45 H new ATOM 0 HB3 LEU A 23 -0.742 -2.174 -5.515 1.00 4.45 H new ATOM 0 HG LEU A 23 -2.367 -2.961 -3.697 1.00 23.34 H new ATOM 0 HD11 LEU A 23 -4.753 -2.517 -4.117 1.00 44.10 H new ATOM 0 HD12 LEU A 23 -3.864 -1.035 -3.694 1.00 44.10 H new ATOM 0 HD13 LEU A 23 -4.307 -1.354 -5.388 1.00 44.10 H new ATOM 0 HD21 LEU A 23 -3.633 -4.353 -5.303 1.00 41.45 H new ATOM 0 HD22 LEU A 23 -3.124 -3.275 -6.625 1.00 41.45 H new ATOM 0 HD23 LEU A 23 -1.912 -4.234 -5.741 1.00 41.45 H new ATOM 369 N VAL A 24 1.383 -0.500 -3.868 1.00 73.14 N ATOM 370 CA VAL A 24 2.727 -0.042 -4.203 1.00 62.32 C ATOM 371 C VAL A 24 3.141 -0.545 -5.576 1.00 44.31 C ATOM 372 O VAL A 24 3.108 -1.743 -5.843 1.00 30.23 O ATOM 373 CB VAL A 24 3.751 -0.506 -3.150 1.00 42.24 C ATOM 374 CG1 VAL A 24 5.156 -0.043 -3.508 1.00 14.31 C ATOM 375 CG2 VAL A 24 3.352 0.014 -1.781 1.00 45.11 C ATOM 0 H VAL A 24 1.348 -1.180 -3.109 1.00 73.14 H new ATOM 0 HA VAL A 24 2.709 1.048 -4.214 1.00 62.32 H new ATOM 0 HB VAL A 24 3.756 -1.596 -3.131 1.00 42.24 H new ATOM 0 HG11 VAL A 24 5.857 -0.385 -2.747 1.00 14.31 H new ATOM 0 HG12 VAL A 24 5.440 -0.457 -4.475 1.00 14.31 H new ATOM 0 HG13 VAL A 24 5.179 1.046 -3.559 1.00 14.31 H new ATOM 0 HG21 VAL A 24 4.079 -0.317 -1.040 1.00 45.11 H new ATOM 0 HG22 VAL A 24 3.323 1.103 -1.800 1.00 45.11 H new ATOM 0 HG23 VAL A 24 2.366 -0.371 -1.519 1.00 45.11 H new ATOM 385 N GLN A 25 3.523 0.379 -6.443 1.00 41.32 N ATOM 386 CA GLN A 25 3.916 0.036 -7.801 1.00 23.40 C ATOM 387 C GLN A 25 5.417 -0.158 -7.895 1.00 50.14 C ATOM 388 O GLN A 25 5.907 -0.935 -8.712 1.00 73.00 O ATOM 389 CB GLN A 25 3.480 1.133 -8.770 1.00 23.42 C ATOM 390 CG GLN A 25 2.009 1.069 -9.142 1.00 11.34 C ATOM 391 CD GLN A 25 1.663 -0.185 -9.921 1.00 64.14 C ATOM 392 OE1 GLN A 25 1.728 -0.201 -11.148 1.00 3.45 O ATOM 393 NE2 GLN A 25 1.293 -1.238 -9.215 1.00 61.43 N ATOM 0 H GLN A 25 3.569 1.375 -6.230 1.00 41.32 H new ATOM 0 HA GLN A 25 3.424 -0.899 -8.069 1.00 23.40 H new ATOM 0 HB2 GLN A 25 3.691 2.105 -8.324 1.00 23.42 H new ATOM 0 HB3 GLN A 25 4.079 1.063 -9.678 1.00 23.42 H new ATOM 0 HG2 GLN A 25 1.406 1.108 -8.235 1.00 11.34 H new ATOM 0 HG3 GLN A 25 1.749 1.945 -9.736 1.00 11.34 H new ATOM 0 HE21 GLN A 25 1.253 -1.181 -8.197 1.00 61.43 H new ATOM 0 HE22 GLN A 25 1.048 -2.108 -9.687 1.00 61.43 H new ATOM 402 N ARG A 26 6.136 0.545 -7.039 1.00 41.40 N ATOM 403 CA ARG A 26 7.584 0.562 -7.090 1.00 72.41 C ATOM 404 C ARG A 26 8.159 1.136 -5.808 1.00 4.33 C ATOM 405 O ARG A 26 7.697 2.164 -5.309 1.00 52.32 O ATOM 406 CB ARG A 26 8.059 1.385 -8.294 1.00 50.35 C ATOM 407 CG ARG A 26 7.412 2.761 -8.384 1.00 73.33 C ATOM 408 CD ARG A 26 7.845 3.508 -9.631 1.00 71.30 C ATOM 409 NE ARG A 26 9.243 3.921 -9.574 1.00 25.42 N ATOM 410 CZ ARG A 26 10.154 3.572 -10.477 1.00 55.32 C ATOM 411 NH1 ARG A 26 9.855 2.682 -11.416 1.00 71.21 N ATOM 412 NH2 ARG A 26 11.377 4.078 -10.408 1.00 54.40 N ATOM 0 H ARG A 26 5.735 1.116 -6.295 1.00 41.40 H new ATOM 0 HA ARG A 26 7.937 -0.464 -7.198 1.00 72.41 H new ATOM 0 HB2 ARG A 26 9.141 1.504 -8.238 1.00 50.35 H new ATOM 0 HB3 ARG A 26 7.846 0.832 -9.209 1.00 50.35 H new ATOM 0 HG2 ARG A 26 6.327 2.653 -8.383 1.00 73.33 H new ATOM 0 HG3 ARG A 26 7.675 3.344 -7.502 1.00 73.33 H new ATOM 0 HD2 ARG A 26 7.692 2.873 -10.503 1.00 71.30 H new ATOM 0 HD3 ARG A 26 7.214 4.387 -9.762 1.00 71.30 H new ATOM 0 HE ARG A 26 9.538 4.512 -8.797 1.00 25.42 H new ATOM 0 HH11 ARG A 26 8.925 2.265 -11.445 1.00 71.21 H new ATOM 0 HH12 ARG A 26 10.556 2.416 -12.108 1.00 71.21 H new ATOM 0 HH21 ARG A 26 11.617 4.733 -9.664 1.00 54.40 H new ATOM 0 HH22 ARG A 26 12.079 3.812 -11.099 1.00 54.40 H new ATOM 426 N VAL A 27 9.144 0.451 -5.272 1.00 42.20 N ATOM 427 CA VAL A 27 9.885 0.935 -4.124 1.00 50.22 C ATOM 428 C VAL A 27 11.171 1.598 -4.605 1.00 13.23 C ATOM 429 O VAL A 27 11.893 1.034 -5.426 1.00 75.33 O ATOM 430 CB VAL A 27 10.219 -0.205 -3.136 1.00 44.43 C ATOM 431 CG1 VAL A 27 11.025 0.317 -1.957 1.00 33.33 C ATOM 432 CG2 VAL A 27 8.943 -0.878 -2.651 1.00 45.10 C ATOM 0 H VAL A 27 9.455 -0.457 -5.618 1.00 42.20 H new ATOM 0 HA VAL A 27 9.264 1.657 -3.594 1.00 50.22 H new ATOM 0 HB VAL A 27 10.825 -0.943 -3.661 1.00 44.43 H new ATOM 0 HG11 VAL A 27 11.247 -0.505 -1.276 1.00 33.33 H new ATOM 0 HG12 VAL A 27 11.957 0.752 -2.318 1.00 33.33 H new ATOM 0 HG13 VAL A 27 10.449 1.078 -1.431 1.00 33.33 H new ATOM 0 HG21 VAL A 27 9.196 -1.679 -1.956 1.00 45.10 H new ATOM 0 HG22 VAL A 27 8.314 -0.145 -2.147 1.00 45.10 H new ATOM 0 HG23 VAL A 27 8.404 -1.293 -3.503 1.00 45.10 H new ATOM 442 N SER A 28 11.449 2.792 -4.107 1.00 53.30 N ATOM 443 CA SER A 28 12.601 3.554 -4.552 1.00 24.24 C ATOM 444 C SER A 28 13.580 3.742 -3.397 1.00 41.11 C ATOM 445 O SER A 28 14.233 4.780 -3.277 1.00 13.22 O ATOM 446 CB SER A 28 12.136 4.907 -5.099 1.00 55.30 C ATOM 447 OG SER A 28 13.103 5.483 -5.963 1.00 72.13 O ATOM 0 H SER A 28 10.889 3.255 -3.391 1.00 53.30 H new ATOM 0 HA SER A 28 13.114 3.012 -5.347 1.00 24.24 H new ATOM 0 HB2 SER A 28 11.197 4.779 -5.637 1.00 55.30 H new ATOM 0 HB3 SER A 28 11.938 5.586 -4.270 1.00 55.30 H new ATOM 0 HG SER A 28 13.972 5.509 -5.510 1.00 72.13 H new ATOM 453 N ASP A 29 13.679 2.705 -2.568 1.00 63.44 N ATOM 454 CA ASP A 29 14.563 2.694 -1.396 1.00 70.33 C ATOM 455 C ASP A 29 14.168 3.761 -0.382 1.00 41.23 C ATOM 456 O ASP A 29 14.484 4.942 -0.540 1.00 64.14 O ATOM 457 CB ASP A 29 16.031 2.861 -1.803 1.00 24.15 C ATOM 458 CG ASP A 29 16.578 1.633 -2.497 1.00 42.04 C ATOM 459 OD1 ASP A 29 17.030 0.705 -1.793 1.00 33.45 O ATOM 460 OD2 ASP A 29 16.554 1.585 -3.749 1.00 15.02 O ATOM 0 H ASP A 29 13.147 1.843 -2.688 1.00 63.44 H new ATOM 0 HA ASP A 29 14.448 1.720 -0.921 1.00 70.33 H new ATOM 0 HB2 ASP A 29 16.127 3.722 -2.464 1.00 24.15 H new ATOM 0 HB3 ASP A 29 16.630 3.072 -0.917 1.00 24.15 H new ATOM 465 N GLY A 30 13.458 3.339 0.655 1.00 73.44 N ATOM 466 CA GLY A 30 12.982 4.266 1.665 1.00 31.22 C ATOM 467 C GLY A 30 11.656 4.889 1.272 1.00 61.11 C ATOM 468 O GLY A 30 10.817 5.187 2.122 1.00 40.33 O ATOM 0 H GLY A 30 13.201 2.365 0.816 1.00 73.44 H new ATOM 0 HA2 GLY A 30 12.872 3.744 2.615 1.00 31.22 H new ATOM 0 HA3 GLY A 30 13.723 5.051 1.817 1.00 31.22 H new ATOM 472 N LYS A 31 11.470 5.065 -0.025 1.00 52.53 N ATOM 473 CA LYS A 31 10.252 5.642 -0.563 1.00 2.32 C ATOM 474 C LYS A 31 9.576 4.621 -1.470 1.00 43.44 C ATOM 475 O LYS A 31 10.196 3.634 -1.869 1.00 14.42 O ATOM 476 CB LYS A 31 10.582 6.905 -1.359 1.00 64.11 C ATOM 477 CG LYS A 31 9.514 7.985 -1.304 1.00 13.42 C ATOM 478 CD LYS A 31 9.903 9.196 -2.144 1.00 22.20 C ATOM 479 CE LYS A 31 11.205 9.826 -1.668 1.00 53.34 C ATOM 480 NZ LYS A 31 11.623 10.956 -2.538 1.00 20.52 N ATOM 0 H LYS A 31 12.159 4.812 -0.733 1.00 52.53 H new ATOM 0 HA LYS A 31 9.581 5.907 0.254 1.00 2.32 H new ATOM 0 HB2 LYS A 31 11.519 7.319 -0.986 1.00 64.11 H new ATOM 0 HB3 LYS A 31 10.748 6.629 -2.400 1.00 64.11 H new ATOM 0 HG2 LYS A 31 8.567 7.581 -1.662 1.00 13.42 H new ATOM 0 HG3 LYS A 31 9.358 8.293 -0.270 1.00 13.42 H new ATOM 0 HD2 LYS A 31 10.005 8.896 -3.187 1.00 22.20 H new ATOM 0 HD3 LYS A 31 9.105 9.937 -2.103 1.00 22.20 H new ATOM 0 HE2 LYS A 31 11.084 10.181 -0.645 1.00 53.34 H new ATOM 0 HE3 LYS A 31 11.990 9.070 -1.652 1.00 53.34 H new ATOM 0 HZ1 LYS A 31 12.513 11.358 -2.181 1.00 20.52 H new ATOM 0 HZ2 LYS A 31 11.763 10.613 -3.510 1.00 20.52 H new ATOM 0 HZ3 LYS A 31 10.885 11.689 -2.533 1.00 20.52 H new ATOM 494 N ALA A 32 8.323 4.864 -1.798 1.00 33.01 N ATOM 495 CA ALA A 32 7.556 3.961 -2.647 1.00 53.23 C ATOM 496 C ALA A 32 6.393 4.694 -3.298 1.00 51.44 C ATOM 497 O ALA A 32 5.806 5.590 -2.699 1.00 50.20 O ATOM 498 CB ALA A 32 7.034 2.782 -1.841 1.00 20.31 C ATOM 0 H ALA A 32 7.806 5.687 -1.488 1.00 33.01 H new ATOM 0 HA ALA A 32 8.219 3.589 -3.428 1.00 53.23 H new ATOM 0 HB1 ALA A 32 6.464 2.120 -2.493 1.00 20.31 H new ATOM 0 HB2 ALA A 32 7.873 2.235 -1.412 1.00 20.31 H new ATOM 0 HB3 ALA A 32 6.390 3.145 -1.040 1.00 20.31 H new ATOM 504 N ALA A 33 6.058 4.306 -4.518 1.00 11.43 N ATOM 505 CA ALA A 33 4.970 4.941 -5.244 1.00 54.12 C ATOM 506 C ALA A 33 3.686 4.156 -5.038 1.00 42.13 C ATOM 507 O ALA A 33 3.577 2.999 -5.458 1.00 61.21 O ATOM 508 CB ALA A 33 5.303 5.051 -6.725 1.00 74.54 C ATOM 0 H ALA A 33 6.524 3.554 -5.026 1.00 11.43 H new ATOM 0 HA ALA A 33 4.831 5.950 -4.857 1.00 54.12 H new ATOM 0 HB1 ALA A 33 4.476 5.529 -7.249 1.00 74.54 H new ATOM 0 HB2 ALA A 33 6.206 5.648 -6.851 1.00 74.54 H new ATOM 0 HB3 ALA A 33 5.466 4.055 -7.136 1.00 74.54 H new ATOM 514 N VAL A 34 2.730 4.779 -4.374 1.00 44.05 N ATOM 515 CA VAL A 34 1.470 4.132 -4.069 1.00 62.30 C ATOM 516 C VAL A 34 0.433 4.465 -5.129 1.00 34.33 C ATOM 517 O VAL A 34 0.187 5.635 -5.430 1.00 63.25 O ATOM 518 CB VAL A 34 0.946 4.553 -2.682 1.00 3.24 C ATOM 519 CG1 VAL A 34 -0.340 3.817 -2.338 1.00 22.31 C ATOM 520 CG2 VAL A 34 2.006 4.307 -1.621 1.00 45.15 C ATOM 0 H VAL A 34 2.804 5.738 -4.034 1.00 44.05 H new ATOM 0 HA VAL A 34 1.645 3.056 -4.060 1.00 62.30 H new ATOM 0 HB VAL A 34 0.723 5.620 -2.710 1.00 3.24 H new ATOM 0 HG11 VAL A 34 -0.688 4.133 -1.354 1.00 22.31 H new ATOM 0 HG12 VAL A 34 -1.101 4.047 -3.083 1.00 22.31 H new ATOM 0 HG13 VAL A 34 -0.153 2.743 -2.329 1.00 22.31 H new ATOM 0 HG21 VAL A 34 1.622 4.609 -0.646 1.00 45.15 H new ATOM 0 HG22 VAL A 34 2.259 3.247 -1.599 1.00 45.15 H new ATOM 0 HG23 VAL A 34 2.898 4.888 -1.856 1.00 45.15 H new ATOM 530 N LEU A 35 -0.154 3.433 -5.706 1.00 13.33 N ATOM 531 CA LEU A 35 -1.157 3.605 -6.735 1.00 0.22 C ATOM 532 C LEU A 35 -2.547 3.490 -6.142 1.00 43.34 C ATOM 533 O LEU A 35 -2.968 2.416 -5.707 1.00 30.42 O ATOM 534 CB LEU A 35 -0.991 2.554 -7.823 1.00 4.03 C ATOM 535 CG LEU A 35 -1.838 2.765 -9.075 1.00 22.24 C ATOM 536 CD1 LEU A 35 -1.492 4.088 -9.748 1.00 23.25 C ATOM 537 CD2 LEU A 35 -1.645 1.603 -10.040 1.00 42.21 C ATOM 0 H LEU A 35 0.050 2.461 -5.476 1.00 13.33 H new ATOM 0 HA LEU A 35 -1.028 4.597 -7.169 1.00 0.22 H new ATOM 0 HB2 LEU A 35 0.058 2.523 -8.116 1.00 4.03 H new ATOM 0 HB3 LEU A 35 -1.234 1.578 -7.402 1.00 4.03 H new ATOM 0 HG LEU A 35 -2.887 2.803 -8.781 1.00 22.24 H new ATOM 0 HD11 LEU A 35 -2.109 4.216 -10.638 1.00 23.25 H new ATOM 0 HD12 LEU A 35 -1.680 4.909 -9.055 1.00 23.25 H new ATOM 0 HD13 LEU A 35 -0.440 4.087 -10.033 1.00 23.25 H new ATOM 0 HD21 LEU A 35 -2.254 1.764 -10.930 1.00 42.21 H new ATOM 0 HD22 LEU A 35 -0.595 1.538 -10.326 1.00 42.21 H new ATOM 0 HD23 LEU A 35 -1.948 0.674 -9.556 1.00 42.21 H new ATOM 549 N PHE A 36 -3.238 4.603 -6.111 1.00 73.15 N ATOM 550 CA PHE A 36 -4.629 4.628 -5.714 1.00 55.13 C ATOM 551 C PHE A 36 -5.491 4.471 -6.954 1.00 32.23 C ATOM 552 O PHE A 36 -5.148 4.987 -8.019 1.00 33.33 O ATOM 553 CB PHE A 36 -4.979 5.935 -5.002 1.00 43.44 C ATOM 554 CG PHE A 36 -4.120 6.224 -3.803 1.00 73.31 C ATOM 555 CD1 PHE A 36 -4.341 5.570 -2.603 1.00 73.30 C ATOM 556 CD2 PHE A 36 -3.096 7.154 -3.880 1.00 14.32 C ATOM 557 CE1 PHE A 36 -3.553 5.838 -1.499 1.00 13.50 C ATOM 558 CE2 PHE A 36 -2.306 7.427 -2.782 1.00 34.12 C ATOM 559 CZ PHE A 36 -2.536 6.769 -1.588 1.00 55.15 C ATOM 0 H PHE A 36 -2.856 5.516 -6.359 1.00 73.15 H new ATOM 0 HA PHE A 36 -4.813 3.810 -5.017 1.00 55.13 H new ATOM 0 HB2 PHE A 36 -4.887 6.759 -5.710 1.00 43.44 H new ATOM 0 HB3 PHE A 36 -6.022 5.899 -4.689 1.00 43.44 H new ATOM 0 HD1 PHE A 36 -5.137 4.843 -2.529 1.00 73.30 H new ATOM 0 HD2 PHE A 36 -2.914 7.671 -4.810 1.00 14.32 H new ATOM 0 HE1 PHE A 36 -3.732 5.320 -0.568 1.00 13.50 H new ATOM 0 HE2 PHE A 36 -1.510 8.153 -2.855 1.00 34.12 H new ATOM 0 HZ PHE A 36 -1.921 6.982 -0.726 1.00 55.15 H new ATOM 569 N GLU A 37 -6.587 3.754 -6.821 1.00 42.13 N ATOM 570 CA GLU A 37 -7.470 3.494 -7.942 1.00 73.24 C ATOM 571 C GLU A 37 -8.865 3.200 -7.420 1.00 61.35 C ATOM 572 O GLU A 37 -9.042 2.353 -6.543 1.00 72.11 O ATOM 573 CB GLU A 37 -6.922 2.324 -8.775 1.00 11.04 C ATOM 574 CG GLU A 37 -7.671 2.047 -10.072 1.00 73.30 C ATOM 575 CD GLU A 37 -8.906 1.193 -9.873 1.00 42.14 C ATOM 576 OE1 GLU A 37 -8.759 0.010 -9.496 1.00 52.34 O ATOM 577 OE2 GLU A 37 -10.026 1.696 -10.095 1.00 3.50 O ATOM 0 H GLU A 37 -6.891 3.337 -5.941 1.00 42.13 H new ATOM 0 HA GLU A 37 -7.522 4.369 -8.590 1.00 73.24 H new ATOM 0 HB2 GLU A 37 -5.878 2.526 -9.013 1.00 11.04 H new ATOM 0 HB3 GLU A 37 -6.941 1.422 -8.163 1.00 11.04 H new ATOM 0 HG2 GLU A 37 -7.961 2.994 -10.527 1.00 73.30 H new ATOM 0 HG3 GLU A 37 -7.001 1.549 -10.773 1.00 73.30 H new ATOM 584 N ASN A 38 -9.845 3.928 -7.930 1.00 1.24 N ATOM 585 CA ASN A 38 -11.221 3.755 -7.496 1.00 11.30 C ATOM 586 C ASN A 38 -12.186 4.170 -8.596 1.00 24.32 C ATOM 587 O ASN A 38 -12.389 5.360 -8.846 1.00 24.20 O ATOM 588 CB ASN A 38 -11.490 4.575 -6.230 1.00 34.10 C ATOM 589 CG ASN A 38 -12.810 4.221 -5.575 1.00 25.15 C ATOM 590 OD1 ASN A 38 -13.855 4.779 -5.908 1.00 62.14 O ATOM 591 ND2 ASN A 38 -12.768 3.296 -4.630 1.00 72.53 N ATOM 0 H ASN A 38 -9.713 4.644 -8.645 1.00 1.24 H new ATOM 0 HA ASN A 38 -11.377 2.699 -7.273 1.00 11.30 H new ATOM 0 HB2 ASN A 38 -10.681 4.413 -5.518 1.00 34.10 H new ATOM 0 HB3 ASN A 38 -11.486 5.636 -6.481 1.00 34.10 H new ATOM 0 HD21 ASN A 38 -13.623 3.021 -4.147 1.00 72.53 H new ATOM 0 HD22 ASN A 38 -11.880 2.858 -4.384 1.00 72.53 H new ATOM 598 N GLY A 39 -12.752 3.181 -9.270 1.00 62.43 N ATOM 599 CA GLY A 39 -13.737 3.447 -10.298 1.00 1.44 C ATOM 600 C GLY A 39 -13.106 3.893 -11.600 1.00 21.24 C ATOM 601 O GLY A 39 -12.853 3.079 -12.489 1.00 63.12 O ATOM 0 H GLY A 39 -12.545 2.193 -9.122 1.00 62.43 H new ATOM 0 HA2 GLY A 39 -14.328 2.548 -10.473 1.00 1.44 H new ATOM 0 HA3 GLY A 39 -14.425 4.217 -9.948 1.00 1.44 H new ATOM 605 N ASN A 40 -12.832 5.182 -11.707 1.00 41.34 N ATOM 606 CA ASN A 40 -12.264 5.744 -12.927 1.00 51.13 C ATOM 607 C ASN A 40 -11.040 6.584 -12.591 1.00 20.41 C ATOM 608 O ASN A 40 -10.348 7.090 -13.470 1.00 42.00 O ATOM 609 CB ASN A 40 -13.303 6.624 -13.630 1.00 33.25 C ATOM 610 CG ASN A 40 -13.092 6.712 -15.133 1.00 44.01 C ATOM 611 OD1 ASN A 40 -11.995 6.483 -15.639 1.00 34.54 O ATOM 612 ND2 ASN A 40 -14.138 7.062 -15.862 1.00 42.11 N ATOM 0 H ASN A 40 -12.993 5.862 -10.964 1.00 41.34 H new ATOM 0 HA ASN A 40 -11.974 4.927 -13.587 1.00 51.13 H new ATOM 0 HB2 ASN A 40 -14.299 6.228 -13.432 1.00 33.25 H new ATOM 0 HB3 ASN A 40 -13.268 7.627 -13.205 1.00 33.25 H new ATOM 0 HD21 ASN A 40 -14.048 7.149 -16.874 1.00 42.11 H new ATOM 0 HD22 ASN A 40 -15.035 7.245 -15.412 1.00 42.11 H new ATOM 619 N TRP A 41 -10.783 6.734 -11.307 1.00 71.23 N ATOM 620 CA TRP A 41 -9.731 7.619 -10.841 1.00 60.50 C ATOM 621 C TRP A 41 -8.462 6.863 -10.475 1.00 72.32 C ATOM 622 O TRP A 41 -8.506 5.820 -9.821 1.00 41.01 O ATOM 623 CB TRP A 41 -10.245 8.429 -9.656 1.00 25.42 C ATOM 624 CG TRP A 41 -9.200 9.190 -8.895 1.00 33.04 C ATOM 625 CD1 TRP A 41 -8.456 10.244 -9.342 1.00 33.24 C ATOM 626 CD2 TRP A 41 -8.810 8.969 -7.536 1.00 54.22 C ATOM 627 NE1 TRP A 41 -7.622 10.686 -8.345 1.00 65.04 N ATOM 628 CE2 TRP A 41 -7.820 9.918 -7.226 1.00 0.43 C ATOM 629 CE3 TRP A 41 -9.197 8.052 -6.555 1.00 62.02 C ATOM 630 CZ2 TRP A 41 -7.221 9.985 -5.970 1.00 11.21 C ATOM 631 CZ3 TRP A 41 -8.601 8.117 -5.309 1.00 31.13 C ATOM 632 CH2 TRP A 41 -7.621 9.078 -5.027 1.00 14.33 C ATOM 0 H TRP A 41 -11.290 6.253 -10.564 1.00 71.23 H new ATOM 0 HA TRP A 41 -9.464 8.292 -11.656 1.00 60.50 H new ATOM 0 HB2 TRP A 41 -10.993 9.135 -10.017 1.00 25.42 H new ATOM 0 HB3 TRP A 41 -10.751 7.752 -8.967 1.00 25.42 H new ATOM 0 HD1 TRP A 41 -8.515 10.668 -10.334 1.00 33.24 H new ATOM 0 HE1 TRP A 41 -6.962 11.460 -8.424 1.00 65.04 H new ATOM 0 HE3 TRP A 41 -9.948 7.306 -6.766 1.00 62.02 H new ATOM 0 HZ2 TRP A 41 -6.468 10.727 -5.749 1.00 11.21 H new ATOM 0 HZ3 TRP A 41 -8.895 7.416 -4.542 1.00 31.13 H new ATOM 0 HH2 TRP A 41 -7.172 9.103 -4.045 1.00 14.33 H new ATOM 643 N ASP A 42 -7.341 7.417 -10.911 1.00 33.31 N ATOM 644 CA ASP A 42 -6.020 6.875 -10.605 1.00 64.32 C ATOM 645 C ASP A 42 -5.206 7.928 -9.883 1.00 44.13 C ATOM 646 O ASP A 42 -5.311 9.118 -10.193 1.00 44.21 O ATOM 647 CB ASP A 42 -5.254 6.477 -11.873 1.00 70.35 C ATOM 648 CG ASP A 42 -6.016 5.543 -12.784 1.00 5.54 C ATOM 649 OD1 ASP A 42 -5.885 4.312 -12.630 1.00 74.44 O ATOM 650 OD2 ASP A 42 -6.718 6.039 -13.684 1.00 60.04 O ATOM 0 H ASP A 42 -7.319 8.257 -11.489 1.00 33.31 H new ATOM 0 HA ASP A 42 -6.166 5.987 -9.990 1.00 64.32 H new ATOM 0 HB2 ASP A 42 -4.997 7.379 -12.428 1.00 70.35 H new ATOM 0 HB3 ASP A 42 -4.316 6.002 -11.585 1.00 70.35 H new ATOM 655 N LYS A 43 -4.385 7.506 -8.939 1.00 13.41 N ATOM 656 CA LYS A 43 -3.532 8.434 -8.215 1.00 63.44 C ATOM 657 C LYS A 43 -2.215 7.768 -7.847 1.00 34.45 C ATOM 658 O LYS A 43 -2.182 6.868 -7.014 1.00 42.52 O ATOM 659 CB LYS A 43 -4.235 8.926 -6.949 1.00 32.41 C ATOM 660 CG LYS A 43 -3.656 10.211 -6.382 1.00 44.12 C ATOM 661 CD LYS A 43 -3.861 11.367 -7.342 1.00 14.11 C ATOM 662 CE LYS A 43 -3.332 12.670 -6.777 1.00 43.23 C ATOM 663 NZ LYS A 43 -3.507 13.787 -7.738 1.00 63.32 N ATOM 0 H LYS A 43 -4.290 6.531 -8.656 1.00 13.41 H new ATOM 0 HA LYS A 43 -3.328 9.287 -8.862 1.00 63.44 H new ATOM 0 HB2 LYS A 43 -5.291 9.081 -7.169 1.00 32.41 H new ATOM 0 HB3 LYS A 43 -4.179 8.147 -6.188 1.00 32.41 H new ATOM 0 HG2 LYS A 43 -4.130 10.438 -5.427 1.00 44.12 H new ATOM 0 HG3 LYS A 43 -2.592 10.080 -6.186 1.00 44.12 H new ATOM 0 HD2 LYS A 43 -3.359 11.150 -8.285 1.00 14.11 H new ATOM 0 HD3 LYS A 43 -4.923 11.472 -7.563 1.00 14.11 H new ATOM 0 HE2 LYS A 43 -3.851 12.903 -5.847 1.00 43.23 H new ATOM 0 HE3 LYS A 43 -2.275 12.560 -6.533 1.00 43.23 H new ATOM 0 HZ1 LYS A 43 -3.135 14.665 -7.322 1.00 63.32 H new ATOM 0 HZ2 LYS A 43 -2.991 13.574 -8.615 1.00 63.32 H new ATOM 0 HZ3 LYS A 43 -4.518 13.906 -7.951 1.00 63.32 H new ATOM 677 N LEU A 44 -1.136 8.196 -8.477 1.00 63.50 N ATOM 678 CA LEU A 44 0.178 7.662 -8.169 1.00 73.54 C ATOM 679 C LEU A 44 0.990 8.688 -7.389 1.00 55.12 C ATOM 680 O LEU A 44 1.458 9.682 -7.949 1.00 70.45 O ATOM 681 CB LEU A 44 0.916 7.266 -9.448 1.00 65.04 C ATOM 682 CG LEU A 44 2.245 6.544 -9.227 1.00 44.52 C ATOM 683 CD1 LEU A 44 2.019 5.199 -8.556 1.00 55.55 C ATOM 684 CD2 LEU A 44 2.978 6.368 -10.544 1.00 40.03 C ATOM 0 H LEU A 44 -1.144 8.911 -9.204 1.00 63.50 H new ATOM 0 HA LEU A 44 0.052 6.769 -7.557 1.00 73.54 H new ATOM 0 HB2 LEU A 44 0.265 6.624 -10.042 1.00 65.04 H new ATOM 0 HB3 LEU A 44 1.101 8.165 -10.036 1.00 65.04 H new ATOM 0 HG LEU A 44 2.863 7.154 -8.568 1.00 44.52 H new ATOM 0 HD11 LEU A 44 2.977 4.701 -8.408 1.00 55.55 H new ATOM 0 HD12 LEU A 44 1.535 5.351 -7.591 1.00 55.55 H new ATOM 0 HD13 LEU A 44 1.382 4.580 -9.188 1.00 55.55 H new ATOM 0 HD21 LEU A 44 3.922 5.852 -10.369 1.00 40.03 H new ATOM 0 HD22 LEU A 44 2.364 5.780 -11.226 1.00 40.03 H new ATOM 0 HD23 LEU A 44 3.175 7.345 -10.984 1.00 40.03 H new ATOM 696 N VAL A 45 1.140 8.450 -6.094 1.00 65.23 N ATOM 697 CA VAL A 45 1.864 9.371 -5.227 1.00 13.33 C ATOM 698 C VAL A 45 2.931 8.618 -4.441 1.00 32.54 C ATOM 699 O VAL A 45 2.666 7.551 -3.886 1.00 21.31 O ATOM 700 CB VAL A 45 0.922 10.097 -4.239 1.00 71.44 C ATOM 701 CG1 VAL A 45 1.676 11.170 -3.467 1.00 60.12 C ATOM 702 CG2 VAL A 45 -0.265 10.706 -4.966 1.00 42.20 C ATOM 0 H VAL A 45 0.770 7.626 -5.619 1.00 65.23 H new ATOM 0 HA VAL A 45 2.328 10.121 -5.867 1.00 13.33 H new ATOM 0 HB VAL A 45 0.547 9.358 -3.531 1.00 71.44 H new ATOM 0 HG11 VAL A 45 0.995 11.669 -2.777 1.00 60.12 H new ATOM 0 HG12 VAL A 45 2.489 10.710 -2.905 1.00 60.12 H new ATOM 0 HG13 VAL A 45 2.085 11.901 -4.165 1.00 60.12 H new ATOM 0 HG21 VAL A 45 -0.912 11.210 -4.248 1.00 42.20 H new ATOM 0 HG22 VAL A 45 0.090 11.426 -5.703 1.00 42.20 H new ATOM 0 HG23 VAL A 45 -0.826 9.919 -5.469 1.00 42.20 H new ATOM 712 N THR A 46 4.135 9.165 -4.412 1.00 4.03 N ATOM 713 CA THR A 46 5.241 8.547 -3.716 1.00 0.04 C ATOM 714 C THR A 46 5.242 8.924 -2.234 1.00 22.45 C ATOM 715 O THR A 46 5.278 10.103 -1.880 1.00 2.14 O ATOM 716 CB THR A 46 6.568 8.990 -4.341 1.00 71.23 C ATOM 717 OG1 THR A 46 6.337 9.492 -5.665 1.00 14.12 O ATOM 718 CG2 THR A 46 7.557 7.838 -4.404 1.00 51.33 C ATOM 0 H THR A 46 4.368 10.046 -4.870 1.00 4.03 H new ATOM 0 HA THR A 46 5.127 7.467 -3.805 1.00 0.04 H new ATOM 0 HB THR A 46 6.992 9.775 -3.715 1.00 71.23 H new ATOM 0 HG1 THR A 46 7.188 9.776 -6.060 1.00 14.12 H new ATOM 0 HG21 THR A 46 8.489 8.183 -4.852 1.00 51.33 H new ATOM 0 HG22 THR A 46 7.753 7.471 -3.396 1.00 51.33 H new ATOM 0 HG23 THR A 46 7.140 7.033 -5.009 1.00 51.33 H new ATOM 726 N PHE A 47 5.201 7.913 -1.385 1.00 33.42 N ATOM 727 CA PHE A 47 5.267 8.096 0.058 1.00 54.41 C ATOM 728 C PHE A 47 6.440 7.299 0.598 1.00 1.34 C ATOM 729 O PHE A 47 7.095 6.579 -0.151 1.00 10.11 O ATOM 730 CB PHE A 47 3.977 7.626 0.740 1.00 70.02 C ATOM 731 CG PHE A 47 2.734 8.327 0.268 1.00 73.34 C ATOM 732 CD1 PHE A 47 2.486 9.643 0.616 1.00 72.15 C ATOM 733 CD2 PHE A 47 1.805 7.659 -0.515 1.00 4.03 C ATOM 734 CE1 PHE A 47 1.337 10.282 0.191 1.00 2.31 C ATOM 735 CE2 PHE A 47 0.655 8.294 -0.944 1.00 3.22 C ATOM 736 CZ PHE A 47 0.419 9.607 -0.589 1.00 13.12 C ATOM 0 H PHE A 47 5.121 6.938 -1.675 1.00 33.42 H new ATOM 0 HA PHE A 47 5.393 9.158 0.269 1.00 54.41 H new ATOM 0 HB2 PHE A 47 3.861 6.555 0.573 1.00 70.02 H new ATOM 0 HB3 PHE A 47 4.075 7.772 1.816 1.00 70.02 H new ATOM 0 HD1 PHE A 47 3.199 10.177 1.227 1.00 72.15 H new ATOM 0 HD2 PHE A 47 1.982 6.631 -0.793 1.00 4.03 H new ATOM 0 HE1 PHE A 47 1.157 11.310 0.469 1.00 2.31 H new ATOM 0 HE2 PHE A 47 -0.059 7.763 -1.557 1.00 3.22 H new ATOM 0 HZ PHE A 47 -0.481 10.105 -0.920 1.00 13.12 H new ATOM 746 N ARG A 48 6.712 7.413 1.884 1.00 72.32 N ATOM 747 CA ARG A 48 7.804 6.663 2.474 1.00 41.55 C ATOM 748 C ARG A 48 7.320 5.302 2.956 1.00 64.25 C ATOM 749 O ARG A 48 6.122 5.069 3.112 1.00 22.10 O ATOM 750 CB ARG A 48 8.431 7.433 3.629 1.00 51.53 C ATOM 751 CG ARG A 48 8.867 8.842 3.263 1.00 1.41 C ATOM 752 CD ARG A 48 9.468 9.554 4.459 1.00 51.32 C ATOM 753 NE ARG A 48 9.446 11.005 4.307 1.00 21.14 N ATOM 754 CZ ARG A 48 10.214 11.835 5.006 1.00 61.43 C ATOM 755 NH1 ARG A 48 11.106 11.354 5.866 1.00 54.35 N ATOM 756 NH2 ARG A 48 10.092 13.143 4.841 1.00 62.43 N ATOM 0 H ARG A 48 6.199 8.010 2.533 1.00 72.32 H new ATOM 0 HA ARG A 48 8.563 6.515 1.705 1.00 41.55 H new ATOM 0 HB2 ARG A 48 7.715 7.486 4.449 1.00 51.53 H new ATOM 0 HB3 ARG A 48 9.295 6.879 3.996 1.00 51.53 H new ATOM 0 HG2 ARG A 48 9.597 8.802 2.455 1.00 1.41 H new ATOM 0 HG3 ARG A 48 8.011 9.406 2.892 1.00 1.41 H new ATOM 0 HD2 ARG A 48 8.918 9.277 5.358 1.00 51.32 H new ATOM 0 HD3 ARG A 48 10.496 9.221 4.599 1.00 51.32 H new ATOM 0 HE ARG A 48 8.803 11.406 3.624 1.00 21.14 H new ATOM 0 HH11 ARG A 48 11.202 10.346 5.991 1.00 54.35 H new ATOM 0 HH12 ARG A 48 11.694 11.993 6.401 1.00 54.35 H new ATOM 0 HH21 ARG A 48 9.410 13.512 4.179 1.00 62.43 H new ATOM 0 HH22 ARG A 48 10.680 13.782 5.376 1.00 62.43 H new ATOM 770 N LEU A 49 8.270 4.423 3.226 1.00 1.13 N ATOM 771 CA LEU A 49 7.974 3.048 3.610 1.00 53.22 C ATOM 772 C LEU A 49 7.586 2.987 5.074 1.00 52.21 C ATOM 773 O LEU A 49 6.881 2.080 5.508 1.00 33.41 O ATOM 774 CB LEU A 49 9.184 2.144 3.361 1.00 55.13 C ATOM 775 CG LEU A 49 9.609 2.002 1.900 1.00 74.11 C ATOM 776 CD1 LEU A 49 10.848 1.130 1.789 1.00 1.34 C ATOM 777 CD2 LEU A 49 8.477 1.420 1.071 1.00 34.52 C ATOM 0 H LEU A 49 9.266 4.639 3.186 1.00 1.13 H new ATOM 0 HA LEU A 49 7.142 2.696 3.001 1.00 53.22 H new ATOM 0 HB2 LEU A 49 10.028 2.531 3.931 1.00 55.13 H new ATOM 0 HB3 LEU A 49 8.962 1.152 3.755 1.00 55.13 H new ATOM 0 HG LEU A 49 9.847 2.993 1.513 1.00 74.11 H new ATOM 0 HD11 LEU A 49 11.137 1.040 0.742 1.00 1.34 H new ATOM 0 HD12 LEU A 49 11.664 1.583 2.352 1.00 1.34 H new ATOM 0 HD13 LEU A 49 10.634 0.141 2.193 1.00 1.34 H new ATOM 0 HD21 LEU A 49 8.797 1.326 0.033 1.00 34.52 H new ATOM 0 HD22 LEU A 49 8.210 0.437 1.459 1.00 34.52 H new ATOM 0 HD23 LEU A 49 7.610 2.079 1.125 1.00 34.52 H new ATOM 789 N SER A 50 8.051 3.966 5.829 1.00 30.35 N ATOM 790 CA SER A 50 7.762 4.033 7.247 1.00 41.12 C ATOM 791 C SER A 50 6.505 4.862 7.487 1.00 64.04 C ATOM 792 O SER A 50 6.009 4.949 8.609 1.00 61.01 O ATOM 793 CB SER A 50 8.960 4.625 7.988 1.00 15.12 C ATOM 794 OG SER A 50 8.809 4.532 9.396 1.00 52.25 O ATOM 0 H SER A 50 8.633 4.728 5.480 1.00 30.35 H new ATOM 0 HA SER A 50 7.581 3.028 7.629 1.00 41.12 H new ATOM 0 HB2 SER A 50 9.868 4.104 7.685 1.00 15.12 H new ATOM 0 HB3 SER A 50 9.082 5.670 7.704 1.00 15.12 H new ATOM 0 HG SER A 50 7.865 4.650 9.632 1.00 52.25 H new ATOM 800 N GLU A 51 5.979 5.465 6.422 1.00 5.30 N ATOM 801 CA GLU A 51 4.786 6.305 6.553 1.00 41.41 C ATOM 802 C GLU A 51 3.504 5.516 6.304 1.00 23.22 C ATOM 803 O GLU A 51 2.402 6.016 6.540 1.00 70.34 O ATOM 804 CB GLU A 51 4.839 7.490 5.589 1.00 11.20 C ATOM 805 CG GLU A 51 6.002 8.426 5.845 1.00 63.22 C ATOM 806 CD GLU A 51 5.923 9.705 5.033 1.00 0.41 C ATOM 807 OE1 GLU A 51 5.835 9.627 3.787 1.00 4.43 O ATOM 808 OE2 GLU A 51 5.962 10.794 5.641 1.00 53.01 O ATOM 0 H GLU A 51 6.350 5.391 5.475 1.00 5.30 H new ATOM 0 HA GLU A 51 4.776 6.671 7.580 1.00 41.41 H new ATOM 0 HB2 GLU A 51 4.903 7.115 4.568 1.00 11.20 H new ATOM 0 HB3 GLU A 51 3.908 8.051 5.664 1.00 11.20 H new ATOM 0 HG2 GLU A 51 6.033 8.677 6.905 1.00 63.22 H new ATOM 0 HG3 GLU A 51 6.934 7.911 5.612 1.00 63.22 H new ATOM 815 N LEU A 52 3.647 4.290 5.831 1.00 1.12 N ATOM 816 CA LEU A 52 2.503 3.484 5.450 1.00 70.30 C ATOM 817 C LEU A 52 2.459 2.197 6.259 1.00 53.31 C ATOM 818 O LEU A 52 3.448 1.815 6.886 1.00 3.43 O ATOM 819 CB LEU A 52 2.597 3.152 3.966 1.00 53.20 C ATOM 820 CG LEU A 52 2.758 4.357 3.040 1.00 14.02 C ATOM 821 CD1 LEU A 52 3.062 3.901 1.625 1.00 73.12 C ATOM 822 CD2 LEU A 52 1.506 5.219 3.062 1.00 34.12 C ATOM 0 H LEU A 52 4.548 3.831 5.702 1.00 1.12 H new ATOM 0 HA LEU A 52 1.592 4.048 5.649 1.00 70.30 H new ATOM 0 HB2 LEU A 52 3.442 2.481 3.813 1.00 53.20 H new ATOM 0 HB3 LEU A 52 1.699 2.607 3.674 1.00 53.20 H new ATOM 0 HG LEU A 52 3.595 4.957 3.398 1.00 14.02 H new ATOM 0 HD11 LEU A 52 3.174 4.771 0.978 1.00 73.12 H new ATOM 0 HD12 LEU A 52 3.987 3.324 1.619 1.00 73.12 H new ATOM 0 HD13 LEU A 52 2.244 3.280 1.259 1.00 73.12 H new ATOM 0 HD21 LEU A 52 1.640 6.072 2.397 1.00 34.12 H new ATOM 0 HD22 LEU A 52 0.652 4.629 2.729 1.00 34.12 H new ATOM 0 HD23 LEU A 52 1.327 5.575 4.077 1.00 34.12 H new ATOM 834 N GLU A 53 1.312 1.537 6.255 1.00 4.55 N ATOM 835 CA GLU A 53 1.185 0.228 6.879 1.00 1.33 C ATOM 836 C GLU A 53 0.681 -0.783 5.862 1.00 23.42 C ATOM 837 O GLU A 53 0.019 -0.413 4.891 1.00 14.34 O ATOM 838 CB GLU A 53 0.248 0.276 8.085 1.00 3.23 C ATOM 839 CG GLU A 53 -1.163 0.737 7.764 1.00 25.31 C ATOM 840 CD GLU A 53 -2.084 0.650 8.961 1.00 53.11 C ATOM 841 OE1 GLU A 53 -1.585 0.697 10.103 1.00 22.31 O ATOM 842 OE2 GLU A 53 -3.311 0.547 8.770 1.00 73.03 O ATOM 0 H GLU A 53 0.455 1.886 5.827 1.00 4.55 H new ATOM 0 HA GLU A 53 2.170 -0.077 7.233 1.00 1.33 H new ATOM 0 HB2 GLU A 53 0.200 -0.717 8.532 1.00 3.23 H new ATOM 0 HB3 GLU A 53 0.674 0.943 8.834 1.00 3.23 H new ATOM 0 HG2 GLU A 53 -1.134 1.766 7.406 1.00 25.31 H new ATOM 0 HG3 GLU A 53 -1.566 0.129 6.954 1.00 25.31 H new ATOM 849 N ALA A 54 0.984 -2.050 6.088 1.00 44.34 N ATOM 850 CA ALA A 54 0.617 -3.097 5.151 1.00 51.44 C ATOM 851 C ALA A 54 -0.691 -3.757 5.558 1.00 65.03 C ATOM 852 O ALA A 54 -0.836 -4.233 6.690 1.00 73.03 O ATOM 853 CB ALA A 54 1.727 -4.134 5.055 1.00 60.21 C ATOM 0 H ALA A 54 1.484 -2.379 6.914 1.00 44.34 H new ATOM 0 HA ALA A 54 0.476 -2.642 4.171 1.00 51.44 H new ATOM 0 HB1 ALA A 54 1.438 -4.912 4.349 1.00 60.21 H new ATOM 0 HB2 ALA A 54 2.644 -3.655 4.711 1.00 60.21 H new ATOM 0 HB3 ALA A 54 1.896 -4.578 6.036 1.00 60.21 H new ATOM 859 N VAL A 55 -1.644 -3.774 4.639 1.00 63.32 N ATOM 860 CA VAL A 55 -2.923 -4.421 4.879 1.00 50.52 C ATOM 861 C VAL A 55 -2.778 -5.916 4.602 1.00 64.12 C ATOM 862 O VAL A 55 -1.760 -6.355 4.064 1.00 74.10 O ATOM 863 CB VAL A 55 -4.039 -3.834 3.982 1.00 73.11 C ATOM 864 CG1 VAL A 55 -5.413 -4.114 4.571 1.00 45.31 C ATOM 865 CG2 VAL A 55 -3.839 -2.337 3.765 1.00 64.21 C ATOM 0 H VAL A 55 -1.555 -3.346 3.718 1.00 63.32 H new ATOM 0 HA VAL A 55 -3.207 -4.248 5.917 1.00 50.52 H new ATOM 0 HB VAL A 55 -3.979 -4.326 3.011 1.00 73.11 H new ATOM 0 HG11 VAL A 55 -6.180 -3.691 3.922 1.00 45.31 H new ATOM 0 HG12 VAL A 55 -5.561 -5.191 4.654 1.00 45.31 H new ATOM 0 HG13 VAL A 55 -5.484 -3.661 5.560 1.00 45.31 H new ATOM 0 HG21 VAL A 55 -4.638 -1.951 3.131 1.00 64.21 H new ATOM 0 HG22 VAL A 55 -3.859 -1.824 4.727 1.00 64.21 H new ATOM 0 HG23 VAL A 55 -2.877 -2.165 3.282 1.00 64.21 H new ATOM 875 N LYS A 56 -3.782 -6.694 4.960 1.00 22.02 N ATOM 876 CA LYS A 56 -3.705 -8.137 4.800 1.00 3.11 C ATOM 877 C LYS A 56 -4.521 -8.576 3.590 1.00 4.54 C ATOM 878 O LYS A 56 -5.722 -8.309 3.519 1.00 41.12 O ATOM 879 CB LYS A 56 -4.202 -8.841 6.065 1.00 1.25 C ATOM 880 CG LYS A 56 -3.729 -10.277 6.181 1.00 61.43 C ATOM 881 CD LYS A 56 -2.218 -10.348 6.326 1.00 2.22 C ATOM 882 CE LYS A 56 -1.714 -11.782 6.328 1.00 60.33 C ATOM 883 NZ LYS A 56 -2.287 -12.583 7.441 1.00 63.14 N ATOM 0 H LYS A 56 -4.656 -6.355 5.361 1.00 22.02 H new ATOM 0 HA LYS A 56 -2.664 -8.416 4.637 1.00 3.11 H new ATOM 0 HB2 LYS A 56 -3.864 -8.283 6.939 1.00 1.25 H new ATOM 0 HB3 LYS A 56 -5.292 -8.823 6.077 1.00 1.25 H new ATOM 0 HG2 LYS A 56 -4.202 -10.750 7.041 1.00 61.43 H new ATOM 0 HG3 LYS A 56 -4.039 -10.837 5.299 1.00 61.43 H new ATOM 0 HD2 LYS A 56 -1.749 -9.800 5.509 1.00 2.22 H new ATOM 0 HD3 LYS A 56 -1.919 -9.857 7.252 1.00 2.22 H new ATOM 0 HE2 LYS A 56 -1.965 -12.254 5.378 1.00 60.33 H new ATOM 0 HE3 LYS A 56 -0.627 -11.782 6.406 1.00 60.33 H new ATOM 0 HZ1 LYS A 56 -1.826 -13.515 7.472 1.00 63.14 H new ATOM 0 HZ2 LYS A 56 -2.129 -12.088 8.342 1.00 63.14 H new ATOM 0 HZ3 LYS A 56 -3.308 -12.707 7.289 1.00 63.14 H new ATOM 897 N PRO A 57 -3.869 -9.241 2.620 1.00 11.11 N ATOM 898 CA PRO A 57 -4.524 -9.720 1.399 1.00 22.52 C ATOM 899 C PRO A 57 -5.696 -10.651 1.695 1.00 52.20 C ATOM 900 O PRO A 57 -5.723 -11.326 2.729 1.00 13.14 O ATOM 901 CB PRO A 57 -3.412 -10.482 0.664 1.00 11.42 C ATOM 902 CG PRO A 57 -2.144 -9.925 1.206 1.00 44.20 C ATOM 903 CD PRO A 57 -2.431 -9.572 2.638 1.00 11.01 C ATOM 0 HA PRO A 57 -4.948 -8.899 0.822 1.00 22.52 H new ATOM 0 HB2 PRO A 57 -3.482 -11.555 0.845 1.00 11.42 H new ATOM 0 HB3 PRO A 57 -3.479 -10.336 -0.414 1.00 11.42 H new ATOM 0 HG2 PRO A 57 -1.336 -10.653 1.137 1.00 44.20 H new ATOM 0 HG3 PRO A 57 -1.830 -9.047 0.642 1.00 44.20 H new ATOM 0 HD2 PRO A 57 -2.217 -10.404 3.309 1.00 11.01 H new ATOM 0 HD3 PRO A 57 -1.828 -8.729 2.974 1.00 11.01 H new ATOM 911 N ILE A 58 -6.660 -10.680 0.781 1.00 33.31 N ATOM 912 CA ILE A 58 -7.846 -11.516 0.937 1.00 34.43 C ATOM 913 C ILE A 58 -7.452 -12.991 0.948 1.00 25.31 C ATOM 914 O ILE A 58 -6.399 -13.367 0.425 1.00 25.54 O ATOM 915 CB ILE A 58 -8.866 -11.277 -0.200 1.00 10.43 C ATOM 916 CG1 ILE A 58 -8.938 -9.787 -0.555 1.00 70.53 C ATOM 917 CG2 ILE A 58 -10.246 -11.784 0.207 1.00 70.42 C ATOM 918 CD1 ILE A 58 -9.852 -9.481 -1.722 1.00 34.24 C ATOM 0 H ILE A 58 -6.643 -10.132 -0.079 1.00 33.31 H new ATOM 0 HA ILE A 58 -8.312 -11.245 1.884 1.00 34.43 H new ATOM 0 HB ILE A 58 -8.533 -11.830 -1.079 1.00 10.43 H new ATOM 0 HG12 ILE A 58 -9.280 -9.231 0.318 1.00 70.53 H new ATOM 0 HG13 ILE A 58 -7.935 -9.429 -0.788 1.00 70.53 H new ATOM 0 HG21 ILE A 58 -10.952 -11.608 -0.604 1.00 70.42 H new ATOM 0 HG22 ILE A 58 -10.194 -12.852 0.417 1.00 70.42 H new ATOM 0 HG23 ILE A 58 -10.580 -11.254 1.099 1.00 70.42 H new ATOM 0 HD11 ILE A 58 -9.851 -8.408 -1.913 1.00 34.24 H new ATOM 0 HD12 ILE A 58 -9.499 -10.008 -2.608 1.00 34.24 H new ATOM 0 HD13 ILE A 58 -10.865 -9.806 -1.486 1.00 34.24 H new ATOM 930 N LEU A 59 -8.296 -13.813 1.537 1.00 34.43 N ATOM 931 CA LEU A 59 -8.022 -15.233 1.650 1.00 44.33 C ATOM 932 C LEU A 59 -8.966 -16.026 0.754 1.00 1.44 C ATOM 933 O LEU A 59 -9.717 -15.450 -0.032 1.00 71.32 O ATOM 934 CB LEU A 59 -8.125 -15.708 3.109 1.00 43.05 C ATOM 935 CG LEU A 59 -9.493 -15.558 3.787 1.00 23.34 C ATOM 936 CD1 LEU A 59 -9.555 -16.434 5.029 1.00 44.54 C ATOM 937 CD2 LEU A 59 -9.758 -14.111 4.168 1.00 11.54 C ATOM 0 H LEU A 59 -9.183 -13.521 1.947 1.00 34.43 H new ATOM 0 HA LEU A 59 -6.998 -15.408 1.319 1.00 44.33 H new ATOM 0 HB2 LEU A 59 -7.841 -16.760 3.145 1.00 43.05 H new ATOM 0 HB3 LEU A 59 -7.391 -15.159 3.698 1.00 43.05 H new ATOM 0 HG LEU A 59 -10.259 -15.873 3.079 1.00 23.34 H new ATOM 0 HD11 LEU A 59 -10.529 -16.322 5.505 1.00 44.54 H new ATOM 0 HD12 LEU A 59 -9.407 -17.476 4.747 1.00 44.54 H new ATOM 0 HD13 LEU A 59 -8.774 -16.132 5.727 1.00 44.54 H new ATOM 0 HD21 LEU A 59 -10.734 -14.034 4.647 1.00 11.54 H new ATOM 0 HD22 LEU A 59 -8.987 -13.770 4.859 1.00 11.54 H new ATOM 0 HD23 LEU A 59 -9.743 -13.490 3.272 1.00 11.54 H new ATOM 949 N GLU A 60 -8.928 -17.346 0.879 1.00 21.15 N ATOM 950 CA GLU A 60 -9.689 -18.224 -0.002 1.00 42.32 C ATOM 951 C GLU A 60 -11.004 -18.680 0.638 1.00 31.11 C ATOM 952 O GLU A 60 -11.352 -19.861 0.584 1.00 51.51 O ATOM 953 CB GLU A 60 -8.837 -19.438 -0.417 1.00 22.51 C ATOM 954 CG GLU A 60 -8.266 -20.260 0.738 1.00 61.41 C ATOM 955 CD GLU A 60 -7.153 -19.549 1.482 1.00 52.42 C ATOM 956 OE1 GLU A 60 -5.998 -19.575 1.008 1.00 63.43 O ATOM 957 OE2 GLU A 60 -7.433 -18.947 2.537 1.00 61.14 O ATOM 0 H GLU A 60 -8.376 -17.834 1.584 1.00 21.15 H new ATOM 0 HA GLU A 60 -9.946 -17.651 -0.893 1.00 42.32 H new ATOM 0 HB2 GLU A 60 -9.446 -20.092 -1.041 1.00 22.51 H new ATOM 0 HB3 GLU A 60 -8.011 -19.087 -1.035 1.00 22.51 H new ATOM 0 HG2 GLU A 60 -9.068 -20.498 1.437 1.00 61.41 H new ATOM 0 HG3 GLU A 60 -7.889 -21.206 0.351 1.00 61.41 H new ATOM 964 N HIS A 61 -11.732 -17.733 1.241 1.00 21.10 N ATOM 965 CA HIS A 61 -13.065 -17.983 1.814 1.00 51.12 C ATOM 966 C HIS A 61 -12.991 -18.851 3.076 1.00 32.41 C ATOM 967 O HIS A 61 -14.006 -19.110 3.719 1.00 43.42 O ATOM 968 CB HIS A 61 -13.984 -18.639 0.765 1.00 24.44 C ATOM 969 CG HIS A 61 -15.431 -18.721 1.164 1.00 60.25 C ATOM 970 ND1 HIS A 61 -15.976 -19.804 1.822 1.00 31.14 N ATOM 971 CD2 HIS A 61 -16.451 -17.849 0.980 1.00 64.40 C ATOM 972 CE1 HIS A 61 -17.262 -19.595 2.020 1.00 44.44 C ATOM 973 NE2 HIS A 61 -17.576 -18.417 1.520 1.00 23.23 N ATOM 0 H HIS A 61 -11.415 -16.769 1.347 1.00 21.10 H new ATOM 0 HA HIS A 61 -13.484 -17.019 2.103 1.00 51.12 H new ATOM 0 HB2 HIS A 61 -13.909 -18.078 -0.166 1.00 24.44 H new ATOM 0 HB3 HIS A 61 -13.619 -19.646 0.561 1.00 24.44 H new ATOM 0 HD2 HIS A 61 -16.390 -16.885 0.497 1.00 64.40 H new ATOM 0 HE1 HIS A 61 -17.944 -20.275 2.510 1.00 44.44 H new ATOM 0 HE2 HIS A 61 -18.505 -17.996 1.533 1.00 23.23 H new ATOM 982 N HIS A 62 -11.787 -19.264 3.443 1.00 71.03 N ATOM 983 CA HIS A 62 -11.588 -20.189 4.555 1.00 34.01 C ATOM 984 C HIS A 62 -12.127 -19.623 5.870 1.00 4.53 C ATOM 985 O HIS A 62 -12.604 -20.381 6.715 1.00 22.31 O ATOM 986 CB HIS A 62 -10.102 -20.527 4.691 1.00 24.44 C ATOM 987 CG HIS A 62 -9.803 -21.538 5.758 1.00 3.25 C ATOM 988 ND1 HIS A 62 -8.787 -21.386 6.675 1.00 0.01 N ATOM 989 CD2 HIS A 62 -10.392 -22.724 6.045 1.00 72.33 C ATOM 990 CE1 HIS A 62 -8.764 -22.431 7.478 1.00 20.43 C ATOM 991 NE2 HIS A 62 -9.727 -23.257 7.119 1.00 2.34 N ATOM 0 H HIS A 62 -10.924 -18.971 2.984 1.00 71.03 H new ATOM 0 HA HIS A 62 -12.149 -21.098 4.338 1.00 34.01 H new ATOM 0 HB2 HIS A 62 -9.736 -20.903 3.736 1.00 24.44 H new ATOM 0 HB3 HIS A 62 -9.550 -19.612 4.906 1.00 24.44 H new ATOM 0 HD2 HIS A 62 -11.229 -23.167 5.525 1.00 72.33 H new ATOM 0 HE1 HIS A 62 -8.072 -22.585 8.293 1.00 20.43 H new ATOM 0 HE2 HIS A 62 -9.942 -24.148 7.567 1.00 2.34 H new ATOM 1000 N HIS A 63 -12.060 -18.296 6.018 1.00 21.23 N ATOM 1001 CA HIS A 63 -12.463 -17.614 7.254 1.00 20.43 C ATOM 1002 C HIS A 63 -11.580 -18.047 8.417 1.00 73.52 C ATOM 1003 O HIS A 63 -11.750 -19.130 8.975 1.00 51.12 O ATOM 1004 CB HIS A 63 -13.937 -17.867 7.596 1.00 70.14 C ATOM 1005 CG HIS A 63 -14.894 -17.251 6.625 1.00 0.34 C ATOM 1006 ND1 HIS A 63 -15.788 -17.986 5.883 1.00 62.52 N ATOM 1007 CD2 HIS A 63 -15.097 -15.957 6.283 1.00 21.24 C ATOM 1008 CE1 HIS A 63 -16.498 -17.175 5.126 1.00 65.02 C ATOM 1009 NE2 HIS A 63 -16.100 -15.936 5.345 1.00 74.44 N ATOM 0 H HIS A 63 -11.727 -17.666 5.288 1.00 21.23 H new ATOM 0 HA HIS A 63 -12.338 -16.544 7.085 1.00 20.43 H new ATOM 0 HB2 HIS A 63 -14.113 -18.942 7.633 1.00 70.14 H new ATOM 0 HB3 HIS A 63 -14.142 -17.476 8.592 1.00 70.14 H new ATOM 0 HD2 HIS A 63 -14.569 -15.101 6.675 1.00 21.24 H new ATOM 0 HE1 HIS A 63 -17.277 -17.474 4.440 1.00 65.02 H new ATOM 0 HE2 HIS A 63 -16.475 -15.102 4.893 1.00 74.44 H new ATOM 1018 N HIS A 64 -10.627 -17.207 8.776 1.00 11.23 N ATOM 1019 CA HIS A 64 -9.682 -17.559 9.820 1.00 32.32 C ATOM 1020 C HIS A 64 -10.048 -16.859 11.121 1.00 54.43 C ATOM 1021 O HIS A 64 -10.450 -17.516 12.080 1.00 74.13 O ATOM 1022 CB HIS A 64 -8.256 -17.200 9.398 1.00 13.22 C ATOM 1023 CG HIS A 64 -7.196 -17.946 10.152 1.00 34.35 C ATOM 1024 ND1 HIS A 64 -6.212 -17.325 10.893 1.00 71.04 N ATOM 1025 CD2 HIS A 64 -6.950 -19.275 10.247 1.00 75.25 C ATOM 1026 CE1 HIS A 64 -5.408 -18.240 11.406 1.00 44.24 C ATOM 1027 NE2 HIS A 64 -5.834 -19.429 11.030 1.00 31.05 N ATOM 0 H HIS A 64 -10.487 -16.284 8.365 1.00 11.23 H new ATOM 0 HA HIS A 64 -9.729 -18.636 9.981 1.00 32.32 H new ATOM 0 HB2 HIS A 64 -8.141 -17.401 8.333 1.00 13.22 H new ATOM 0 HB3 HIS A 64 -8.104 -16.130 9.539 1.00 13.22 H new ATOM 0 HD2 HIS A 64 -7.526 -20.067 9.791 1.00 75.25 H new ATOM 0 HE1 HIS A 64 -4.547 -18.046 12.028 1.00 44.24 H new ATOM 0 HE2 HIS A 64 -5.404 -20.319 11.280 1.00 31.05 H new ATOM 1036 N HIS A 65 -9.931 -15.526 11.129 1.00 24.03 N ATOM 1037 CA HIS A 65 -10.212 -14.709 12.315 1.00 73.22 C ATOM 1038 C HIS A 65 -9.232 -15.040 13.438 1.00 5.12 C ATOM 1039 O HIS A 65 -9.241 -16.147 13.979 1.00 71.35 O ATOM 1040 CB HIS A 65 -11.655 -14.914 12.797 1.00 52.13 C ATOM 1041 CG HIS A 65 -12.089 -13.959 13.874 1.00 52.34 C ATOM 1042 ND1 HIS A 65 -11.931 -14.207 15.222 1.00 11.23 N ATOM 1043 CD2 HIS A 65 -12.698 -12.753 13.789 1.00 34.21 C ATOM 1044 CE1 HIS A 65 -12.422 -13.197 15.916 1.00 31.00 C ATOM 1045 NE2 HIS A 65 -12.894 -12.301 15.071 1.00 44.32 N ATOM 0 H HIS A 65 -9.639 -14.984 10.315 1.00 24.03 H new ATOM 0 HA HIS A 65 -10.089 -13.662 12.037 1.00 73.22 H new ATOM 0 HB2 HIS A 65 -12.328 -14.813 11.945 1.00 52.13 H new ATOM 0 HB3 HIS A 65 -11.761 -15.934 13.168 1.00 52.13 H new ATOM 0 HD2 HIS A 65 -12.978 -12.241 12.880 1.00 34.21 H new ATOM 0 HE1 HIS A 65 -12.435 -13.118 16.993 1.00 31.00 H new ATOM 0 HE2 HIS A 65 -13.333 -11.417 15.328 1.00 44.32 H new ATOM 1054 N HIS A 66 -8.383 -14.081 13.785 1.00 62.12 N ATOM 1055 CA HIS A 66 -7.395 -14.295 14.841 1.00 54.04 C ATOM 1056 C HIS A 66 -8.095 -14.483 16.189 1.00 14.21 C ATOM 1057 O HIS A 66 -8.076 -15.618 16.710 1.00 39.75 O ATOM 1058 CB HIS A 66 -6.354 -13.154 14.898 1.00 24.30 C ATOM 1059 CG HIS A 66 -6.873 -11.825 15.368 1.00 63.25 C ATOM 1060 ND1 HIS A 66 -6.472 -11.239 16.549 1.00 74.24 N ATOM 1061 CD2 HIS A 66 -7.747 -10.963 14.803 1.00 32.04 C ATOM 1062 CE1 HIS A 66 -7.078 -10.078 16.690 1.00 60.25 C ATOM 1063 NE2 HIS A 66 -7.860 -9.883 15.644 1.00 73.25 N ATOM 1064 OXT HIS A 66 -8.711 -13.522 16.689 1.00 39.75 O ATOM 0 H HIS A 66 -8.356 -13.155 13.357 1.00 62.12 H new ATOM 0 HA HIS A 66 -6.845 -15.207 14.607 1.00 54.04 H new ATOM 0 HB2 HIS A 66 -5.541 -13.460 15.557 1.00 24.30 H new ATOM 0 HB3 HIS A 66 -5.927 -13.026 13.903 1.00 24.30 H new ATOM 0 HD2 HIS A 66 -8.262 -11.098 13.863 1.00 32.04 H new ATOM 0 HE1 HIS A 66 -6.956 -9.400 17.521 1.00 60.25 H new ATOM 0 HE2 HIS A 66 -8.450 -9.066 15.487 1.00 73.25 H new TER 1073 HIS A 66