USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 578 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 46 ASN : amide:sc= -0.603 K(o=-0.6,f=-4.5!) USER MOD Set 1.2: A 47 SER OG : rot -44:sc= 0.00437 USER MOD Single : A 1 GLY N :NH3+ -176:sc= 0 (180deg=-0.0126) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 4 MET CE :methyl -133:sc= 0 (180deg=-0.0117) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 160:sc= -1.28 USER MOD Single : A 19 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.4) USER MOD Single : A 20 GLN : amide:sc= -0.0174 K(o=-0.017,f=-1.2) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 170:sc= 0 (180deg=-0.0457) USER MOD Single : A 49 ASN : amide:sc= -2.61! C(o=-2.6!,f=-2.3!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.991 USER MOD Single : A 56 SER OG : rot 180:sc=-0.00137 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 64 SER OG : rot 43:sc= 0.98 USER MOD Single : A 70 ASN : amide:sc= -0.686 K(o=-0.69,f=-5.7!) USER MOD Single : A 71 SER OG : rot 62:sc= 0.372 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.416 -6.406 2.944 1.00 70.34 N ATOM 2 CA GLY A 1 16.067 -6.879 2.690 1.00 54.22 C ATOM 3 C GLY A 1 15.575 -7.829 3.764 1.00 41.10 C ATOM 4 O GLY A 1 14.435 -7.726 4.219 1.00 43.34 O ATOM 0 H1 GLY A 1 17.681 -5.708 2.220 1.00 70.34 H new ATOM 0 H2 GLY A 1 17.457 -5.962 3.884 1.00 70.34 H new ATOM 0 H3 GLY A 1 18.077 -7.208 2.911 1.00 70.34 H new ATOM 0 HA2 GLY A 1 15.392 -6.026 2.627 1.00 54.22 H new ATOM 0 HA3 GLY A 1 16.037 -7.381 1.723 1.00 54.22 H new ATOM 8 N SER A 2 16.434 -8.758 4.168 1.00 5.31 N ATOM 9 CA SER A 2 16.078 -9.736 5.191 1.00 3.41 C ATOM 10 C SER A 2 14.951 -10.642 4.706 1.00 10.12 C ATOM 11 O SER A 2 15.188 -11.769 4.271 1.00 23.32 O ATOM 12 CB SER A 2 15.660 -9.026 6.480 1.00 25.20 C ATOM 13 OG SER A 2 16.537 -9.347 7.546 1.00 61.22 O ATOM 0 H SER A 2 17.382 -8.855 3.803 1.00 5.31 H new ATOM 0 HA SER A 2 16.954 -10.352 5.392 1.00 3.41 H new ATOM 0 HB2 SER A 2 15.656 -7.948 6.320 1.00 25.20 H new ATOM 0 HB3 SER A 2 14.642 -9.313 6.743 1.00 25.20 H new ATOM 0 HG SER A 2 16.250 -8.880 8.358 1.00 61.22 H new ATOM 19 N THR A 3 13.721 -10.142 4.786 1.00 14.32 N ATOM 20 CA THR A 3 12.557 -10.905 4.358 1.00 60.33 C ATOM 21 C THR A 3 12.353 -12.136 5.234 1.00 51.54 C ATOM 22 O THR A 3 13.101 -13.108 5.137 1.00 30.34 O ATOM 23 CB THR A 3 12.684 -11.350 2.889 1.00 3.40 C ATOM 24 OG1 THR A 3 13.582 -10.480 2.190 1.00 3.11 O ATOM 25 CG2 THR A 3 11.328 -11.345 2.202 1.00 42.11 C ATOM 0 H THR A 3 13.507 -9.211 5.144 1.00 14.32 H new ATOM 0 HA THR A 3 11.695 -10.245 4.456 1.00 60.33 H new ATOM 0 HB THR A 3 13.077 -12.367 2.873 1.00 3.40 H new ATOM 0 HG1 THR A 3 13.659 -10.770 1.257 1.00 3.11 H new ATOM 0 HG21 THR A 3 11.444 -11.663 1.166 1.00 42.11 H new ATOM 0 HG22 THR A 3 10.656 -12.030 2.719 1.00 42.11 H new ATOM 0 HG23 THR A 3 10.911 -10.338 2.228 1.00 42.11 H new ATOM 33 N MET A 4 11.336 -12.087 6.089 1.00 4.50 N ATOM 34 CA MET A 4 11.034 -13.200 6.981 1.00 44.31 C ATOM 35 C MET A 4 9.699 -12.986 7.685 1.00 62.54 C ATOM 36 O MET A 4 8.898 -13.912 7.811 1.00 13.04 O ATOM 37 CB MET A 4 12.148 -13.369 8.016 1.00 53.44 C ATOM 38 CG MET A 4 12.740 -14.769 8.050 1.00 73.31 C ATOM 39 SD MET A 4 14.031 -14.947 9.295 1.00 0.52 S ATOM 40 CE MET A 4 13.048 -15.111 10.783 1.00 74.42 C ATOM 0 H MET A 4 10.708 -11.289 6.183 1.00 4.50 H new ATOM 0 HA MET A 4 10.966 -14.106 6.379 1.00 44.31 H new ATOM 0 HB2 MET A 4 12.942 -12.653 7.803 1.00 53.44 H new ATOM 0 HB3 MET A 4 11.755 -13.126 9.003 1.00 53.44 H new ATOM 0 HG2 MET A 4 11.947 -15.490 8.249 1.00 73.31 H new ATOM 0 HG3 MET A 4 13.151 -15.010 7.069 1.00 73.31 H new ATOM 0 HE1 MET A 4 13.448 -14.457 11.557 1.00 74.42 H new ATOM 0 HE2 MET A 4 12.016 -14.832 10.570 1.00 74.42 H new ATOM 0 HE3 MET A 4 13.081 -16.144 11.129 1.00 74.42 H new ATOM 50 N ALA A 5 9.464 -11.760 8.140 1.00 51.33 N ATOM 51 CA ALA A 5 8.225 -11.424 8.829 1.00 60.21 C ATOM 52 C ALA A 5 7.022 -11.588 7.906 1.00 53.12 C ATOM 53 O ALA A 5 7.030 -11.109 6.772 1.00 35.44 O ATOM 54 CB ALA A 5 8.290 -10.004 9.369 1.00 72.53 C ATOM 0 H ALA A 5 10.117 -10.982 8.044 1.00 51.33 H new ATOM 0 HA ALA A 5 8.104 -12.113 9.665 1.00 60.21 H new ATOM 0 HB1 ALA A 5 7.358 -9.767 9.881 1.00 72.53 H new ATOM 0 HB2 ALA A 5 9.121 -9.919 10.069 1.00 72.53 H new ATOM 0 HB3 ALA A 5 8.438 -9.307 8.544 1.00 72.53 H new ATOM 60 N GLU A 6 5.991 -12.265 8.400 1.00 22.32 N ATOM 61 CA GLU A 6 4.781 -12.493 7.617 1.00 44.23 C ATOM 62 C GLU A 6 3.913 -11.239 7.582 1.00 32.30 C ATOM 63 O GLU A 6 3.095 -11.014 8.473 1.00 35.44 O ATOM 64 CB GLU A 6 3.985 -13.662 8.197 1.00 25.55 C ATOM 65 CG GLU A 6 2.709 -13.969 7.430 1.00 3.21 C ATOM 66 CD GLU A 6 2.776 -15.292 6.691 1.00 71.13 C ATOM 67 OE1 GLU A 6 3.829 -15.579 6.084 1.00 52.11 O ATOM 68 OE2 GLU A 6 1.776 -16.040 6.719 1.00 75.33 O ATOM 0 H GLU A 6 5.968 -12.665 9.338 1.00 22.32 H new ATOM 0 HA GLU A 6 5.078 -12.737 6.597 1.00 44.23 H new ATOM 0 HB2 GLU A 6 4.616 -14.551 8.207 1.00 25.55 H new ATOM 0 HB3 GLU A 6 3.731 -13.439 9.233 1.00 25.55 H new ATOM 0 HG2 GLU A 6 1.868 -13.987 8.123 1.00 3.21 H new ATOM 0 HG3 GLU A 6 2.517 -13.168 6.716 1.00 3.21 H new ATOM 76 N GLU A 7 4.097 -10.426 6.547 1.00 51.43 N ATOM 77 CA GLU A 7 3.332 -9.194 6.396 1.00 13.04 C ATOM 78 C GLU A 7 2.676 -9.126 5.021 1.00 63.24 C ATOM 79 O GLU A 7 2.873 -10.005 4.182 1.00 34.20 O ATOM 80 CB GLU A 7 4.236 -7.977 6.604 1.00 41.24 C ATOM 81 CG GLU A 7 3.700 -6.987 7.624 1.00 33.32 C ATOM 82 CD GLU A 7 4.542 -5.730 7.718 1.00 3.14 C ATOM 83 OE1 GLU A 7 4.573 -5.117 8.804 1.00 15.41 O ATOM 84 OE2 GLU A 7 5.170 -5.360 6.704 1.00 43.20 O ATOM 0 H GLU A 7 4.770 -10.598 5.800 1.00 51.43 H new ATOM 0 HA GLU A 7 2.548 -9.188 7.153 1.00 13.04 H new ATOM 0 HB2 GLU A 7 5.221 -8.317 6.923 1.00 41.24 H new ATOM 0 HB3 GLU A 7 4.369 -7.467 5.650 1.00 41.24 H new ATOM 0 HG2 GLU A 7 2.678 -6.716 7.359 1.00 33.32 H new ATOM 0 HG3 GLU A 7 3.659 -7.466 8.602 1.00 33.32 H new ATOM 92 N VAL A 8 1.894 -8.074 4.796 1.00 32.44 N ATOM 93 CA VAL A 8 1.209 -7.889 3.523 1.00 21.45 C ATOM 94 C VAL A 8 1.814 -6.732 2.735 1.00 12.14 C ATOM 95 O VAL A 8 2.130 -5.683 3.297 1.00 21.03 O ATOM 96 CB VAL A 8 -0.295 -7.624 3.728 1.00 3.33 C ATOM 97 CG1 VAL A 8 -0.954 -7.242 2.411 1.00 2.23 C ATOM 98 CG2 VAL A 8 -0.972 -8.843 4.338 1.00 52.54 C ATOM 0 H VAL A 8 1.720 -7.337 5.480 1.00 32.44 H new ATOM 0 HA VAL A 8 1.335 -8.814 2.960 1.00 21.45 H new ATOM 0 HB VAL A 8 -0.408 -6.789 4.420 1.00 3.33 H new ATOM 0 HG11 VAL A 8 -2.016 -7.059 2.575 1.00 2.23 H new ATOM 0 HG12 VAL A 8 -0.486 -6.339 2.019 1.00 2.23 H new ATOM 0 HG13 VAL A 8 -0.833 -8.054 1.694 1.00 2.23 H new ATOM 0 HG21 VAL A 8 -2.034 -8.639 4.476 1.00 52.54 H new ATOM 0 HG22 VAL A 8 -0.851 -9.698 3.673 1.00 52.54 H new ATOM 0 HG23 VAL A 8 -0.517 -9.067 5.303 1.00 52.54 H new ATOM 108 N VAL A 9 1.973 -6.931 1.431 1.00 12.51 N ATOM 109 CA VAL A 9 2.540 -5.904 0.564 1.00 55.51 C ATOM 110 C VAL A 9 1.586 -5.555 -0.571 1.00 5.15 C ATOM 111 O VAL A 9 0.948 -6.434 -1.152 1.00 62.25 O ATOM 112 CB VAL A 9 3.888 -6.352 -0.031 1.00 13.44 C ATOM 113 CG1 VAL A 9 5.043 -5.696 0.709 1.00 44.31 C ATOM 114 CG2 VAL A 9 4.010 -7.868 0.011 1.00 62.30 C ATOM 0 H VAL A 9 1.717 -7.794 0.951 1.00 12.51 H new ATOM 0 HA VAL A 9 2.701 -5.021 1.183 1.00 55.51 H new ATOM 0 HB VAL A 9 3.929 -6.035 -1.073 1.00 13.44 H new ATOM 0 HG11 VAL A 9 5.987 -6.025 0.274 1.00 44.31 H new ATOM 0 HG12 VAL A 9 4.962 -4.612 0.623 1.00 44.31 H new ATOM 0 HG13 VAL A 9 5.009 -5.980 1.761 1.00 44.31 H new ATOM 0 HG21 VAL A 9 4.968 -8.168 -0.413 1.00 62.30 H new ATOM 0 HG22 VAL A 9 3.948 -8.210 1.044 1.00 62.30 H new ATOM 0 HG23 VAL A 9 3.201 -8.314 -0.568 1.00 62.30 H new ATOM 124 N VAL A 10 1.492 -4.267 -0.885 1.00 11.11 N ATOM 125 CA VAL A 10 0.616 -3.801 -1.954 1.00 15.22 C ATOM 126 C VAL A 10 1.396 -3.011 -2.998 1.00 14.34 C ATOM 127 O VAL A 10 2.300 -2.244 -2.664 1.00 64.44 O ATOM 128 CB VAL A 10 -0.521 -2.921 -1.403 1.00 72.35 C ATOM 129 CG1 VAL A 10 -1.070 -3.504 -0.110 1.00 71.55 C ATOM 130 CG2 VAL A 10 -0.035 -1.495 -1.191 1.00 32.12 C ATOM 0 H VAL A 10 2.012 -3.527 -0.414 1.00 11.11 H new ATOM 0 HA VAL A 10 0.186 -4.687 -2.421 1.00 15.22 H new ATOM 0 HB VAL A 10 -1.328 -2.901 -2.135 1.00 72.35 H new ATOM 0 HG11 VAL A 10 -1.872 -2.868 0.264 1.00 71.55 H new ATOM 0 HG12 VAL A 10 -1.458 -4.505 -0.298 1.00 71.55 H new ATOM 0 HG13 VAL A 10 -0.273 -3.557 0.632 1.00 71.55 H new ATOM 0 HG21 VAL A 10 -0.851 -0.887 -0.801 1.00 32.12 H new ATOM 0 HG22 VAL A 10 0.790 -1.494 -0.479 1.00 32.12 H new ATOM 0 HG23 VAL A 10 0.304 -1.081 -2.141 1.00 32.12 H new ATOM 140 N VAL A 11 1.041 -3.203 -4.264 1.00 22.04 N ATOM 141 CA VAL A 11 1.706 -2.507 -5.359 1.00 43.33 C ATOM 142 C VAL A 11 0.806 -1.428 -5.952 1.00 22.20 C ATOM 143 O VAL A 11 -0.384 -1.650 -6.170 1.00 32.53 O ATOM 144 CB VAL A 11 2.122 -3.484 -6.475 1.00 34.21 C ATOM 145 CG1 VAL A 11 0.906 -4.211 -7.029 1.00 11.24 C ATOM 146 CG2 VAL A 11 2.861 -2.746 -7.581 1.00 32.45 C ATOM 0 H VAL A 11 0.296 -3.835 -4.557 1.00 22.04 H new ATOM 0 HA VAL A 11 2.599 -2.042 -4.942 1.00 43.33 H new ATOM 0 HB VAL A 11 2.798 -4.227 -6.050 1.00 34.21 H new ATOM 0 HG11 VAL A 11 1.219 -4.897 -7.816 1.00 11.24 H new ATOM 0 HG12 VAL A 11 0.423 -4.773 -6.230 1.00 11.24 H new ATOM 0 HG13 VAL A 11 0.204 -3.485 -7.439 1.00 11.24 H new ATOM 0 HG21 VAL A 11 3.147 -3.452 -8.361 1.00 32.45 H new ATOM 0 HG22 VAL A 11 2.211 -1.981 -8.005 1.00 32.45 H new ATOM 0 HG23 VAL A 11 3.755 -2.276 -7.171 1.00 32.45 H new ATOM 156 N ALA A 12 1.384 -0.260 -6.212 1.00 0.23 N ATOM 157 CA ALA A 12 0.636 0.853 -6.782 1.00 23.05 C ATOM 158 C ALA A 12 0.555 0.739 -8.301 1.00 3.40 C ATOM 159 O ALA A 12 1.516 0.334 -8.956 1.00 31.44 O ATOM 160 CB ALA A 12 1.271 2.176 -6.383 1.00 32.12 C ATOM 0 H ALA A 12 2.369 -0.060 -6.037 1.00 0.23 H new ATOM 0 HA ALA A 12 -0.379 0.817 -6.386 1.00 23.05 H new ATOM 0 HB1 ALA A 12 0.701 2.998 -6.816 1.00 32.12 H new ATOM 0 HB2 ALA A 12 1.271 2.267 -5.297 1.00 32.12 H new ATOM 0 HB3 ALA A 12 2.297 2.212 -6.750 1.00 32.12 H new ATOM 166 N LYS A 13 -0.597 1.100 -8.856 1.00 24.04 N ATOM 167 CA LYS A 13 -0.804 1.038 -10.298 1.00 42.43 C ATOM 168 C LYS A 13 -0.657 2.421 -10.928 1.00 10.44 C ATOM 169 O LYS A 13 -0.242 2.547 -12.080 1.00 35.20 O ATOM 170 CB LYS A 13 -2.188 0.468 -10.613 1.00 74.20 C ATOM 171 CG LYS A 13 -2.788 -0.336 -9.472 1.00 10.13 C ATOM 172 CD LYS A 13 -4.192 -0.811 -9.803 1.00 34.13 C ATOM 173 CE LYS A 13 -4.233 -1.551 -11.131 1.00 62.04 C ATOM 174 NZ LYS A 13 -5.594 -2.074 -11.434 1.00 1.13 N ATOM 0 H LYS A 13 -1.402 1.439 -8.329 1.00 24.04 H new ATOM 0 HA LYS A 13 -0.044 0.381 -10.721 1.00 42.43 H new ATOM 0 HB2 LYS A 13 -2.861 1.288 -10.862 1.00 74.20 H new ATOM 0 HB3 LYS A 13 -2.118 -0.167 -11.496 1.00 74.20 H new ATOM 0 HG2 LYS A 13 -2.153 -1.196 -9.258 1.00 10.13 H new ATOM 0 HG3 LYS A 13 -2.813 0.274 -8.569 1.00 10.13 H new ATOM 0 HD2 LYS A 13 -4.552 -1.466 -9.009 1.00 34.13 H new ATOM 0 HD3 LYS A 13 -4.867 0.044 -9.841 1.00 34.13 H new ATOM 0 HE2 LYS A 13 -3.916 -0.881 -11.930 1.00 62.04 H new ATOM 0 HE3 LYS A 13 -3.523 -2.378 -11.108 1.00 62.04 H new ATOM 0 HZ1 LYS A 13 -5.579 -2.572 -12.347 1.00 1.13 H new ATOM 0 HZ2 LYS A 13 -5.887 -2.733 -10.685 1.00 1.13 H new ATOM 0 HZ3 LYS A 13 -6.267 -1.283 -11.482 1.00 1.13 H new ATOM 188 N PHE A 14 -0.997 3.453 -10.163 1.00 3.12 N ATOM 189 CA PHE A 14 -0.901 4.825 -10.646 1.00 72.44 C ATOM 190 C PHE A 14 -0.261 5.729 -9.595 1.00 23.41 C ATOM 191 O PHE A 14 -0.198 5.380 -8.416 1.00 25.03 O ATOM 192 CB PHE A 14 -2.288 5.356 -11.013 1.00 64.41 C ATOM 193 CG PHE A 14 -3.010 4.503 -12.018 1.00 13.13 C ATOM 194 CD1 PHE A 14 -3.819 3.457 -11.603 1.00 64.33 C ATOM 195 CD2 PHE A 14 -2.879 4.747 -13.375 1.00 3.52 C ATOM 196 CE1 PHE A 14 -4.485 2.670 -12.525 1.00 52.00 C ATOM 197 CE2 PHE A 14 -3.542 3.963 -14.301 1.00 42.01 C ATOM 198 CZ PHE A 14 -4.345 2.924 -13.876 1.00 30.32 C ATOM 0 H PHE A 14 -1.341 3.365 -9.207 1.00 3.12 H new ATOM 0 HA PHE A 14 -0.270 4.827 -11.535 1.00 72.44 H new ATOM 0 HB2 PHE A 14 -2.892 5.428 -10.108 1.00 64.41 H new ATOM 0 HB3 PHE A 14 -2.188 6.366 -11.410 1.00 64.41 H new ATOM 0 HD1 PHE A 14 -3.931 3.254 -10.548 1.00 64.33 H new ATOM 0 HD2 PHE A 14 -2.252 5.559 -13.714 1.00 3.52 H new ATOM 0 HE1 PHE A 14 -5.113 1.858 -12.190 1.00 52.00 H new ATOM 0 HE2 PHE A 14 -3.432 4.164 -15.356 1.00 42.01 H new ATOM 0 HZ PHE A 14 -4.863 2.311 -14.598 1.00 30.32 H new ATOM 208 N ASP A 15 0.212 6.891 -10.032 1.00 3.14 N ATOM 209 CA ASP A 15 0.848 7.845 -9.131 1.00 24.34 C ATOM 210 C ASP A 15 -0.198 8.692 -8.413 1.00 51.34 C ATOM 211 O ASP A 15 -1.172 9.139 -9.019 1.00 4.22 O ATOM 212 CB ASP A 15 1.811 8.746 -9.905 1.00 72.33 C ATOM 213 CG ASP A 15 1.188 9.308 -11.168 1.00 3.51 C ATOM 214 OD1 ASP A 15 1.126 8.573 -12.176 1.00 23.23 O ATOM 215 OD2 ASP A 15 0.764 10.482 -11.149 1.00 3.32 O ATOM 0 H ASP A 15 0.167 7.195 -11.005 1.00 3.14 H new ATOM 0 HA ASP A 15 1.410 7.285 -8.384 1.00 24.34 H new ATOM 0 HB2 ASP A 15 2.130 9.568 -9.264 1.00 72.33 H new ATOM 0 HB3 ASP A 15 2.705 8.179 -10.165 1.00 72.33 H new ATOM 221 N TYR A 16 0.012 8.910 -7.119 1.00 23.23 N ATOM 222 CA TYR A 16 -0.914 9.701 -6.318 1.00 75.43 C ATOM 223 C TYR A 16 -0.160 10.667 -5.411 1.00 54.14 C ATOM 224 O TYR A 16 0.954 10.384 -4.971 1.00 71.23 O ATOM 225 CB TYR A 16 -1.805 8.785 -5.478 1.00 60.42 C ATOM 226 CG TYR A 16 -2.344 9.444 -4.228 1.00 72.55 C ATOM 227 CD1 TYR A 16 -3.511 10.199 -4.265 1.00 53.32 C ATOM 228 CD2 TYR A 16 -1.687 9.312 -3.011 1.00 72.34 C ATOM 229 CE1 TYR A 16 -4.006 10.804 -3.126 1.00 1.11 C ATOM 230 CE2 TYR A 16 -2.176 9.913 -1.866 1.00 4.14 C ATOM 231 CZ TYR A 16 -3.335 10.658 -1.929 1.00 1.05 C ATOM 232 OH TYR A 16 -3.826 11.257 -0.792 1.00 65.33 O ATOM 0 H TYR A 16 0.815 8.550 -6.603 1.00 23.23 H new ATOM 0 HA TYR A 16 -1.539 10.281 -6.997 1.00 75.43 H new ATOM 0 HB2 TYR A 16 -2.641 8.446 -6.089 1.00 60.42 H new ATOM 0 HB3 TYR A 16 -1.237 7.899 -5.195 1.00 60.42 H new ATOM 0 HD1 TYR A 16 -4.039 10.314 -5.200 1.00 53.32 H new ATOM 0 HD2 TYR A 16 -0.779 8.730 -2.959 1.00 72.34 H new ATOM 0 HE1 TYR A 16 -4.913 11.388 -3.172 1.00 1.11 H new ATOM 0 HE2 TYR A 16 -1.653 9.800 -0.928 1.00 4.14 H new ATOM 0 HH TYR A 16 -3.448 10.818 -0.002 1.00 65.33 H new ATOM 242 N VAL A 17 -0.777 11.812 -5.133 1.00 53.04 N ATOM 243 CA VAL A 17 -0.166 12.822 -4.277 1.00 54.22 C ATOM 244 C VAL A 17 -0.910 12.941 -2.951 1.00 13.34 C ATOM 245 O VAL A 17 -2.025 13.459 -2.897 1.00 3.13 O ATOM 246 CB VAL A 17 -0.141 14.200 -4.964 1.00 73.20 C ATOM 247 CG1 VAL A 17 0.491 15.241 -4.051 1.00 22.22 C ATOM 248 CG2 VAL A 17 0.601 14.121 -6.289 1.00 44.32 C ATOM 0 H VAL A 17 -1.700 12.063 -5.488 1.00 53.04 H new ATOM 0 HA VAL A 17 0.858 12.500 -4.089 1.00 54.22 H new ATOM 0 HB VAL A 17 -1.168 14.504 -5.166 1.00 73.20 H new ATOM 0 HG11 VAL A 17 0.500 16.208 -4.553 1.00 22.22 H new ATOM 0 HG12 VAL A 17 -0.087 15.316 -3.130 1.00 22.22 H new ATOM 0 HG13 VAL A 17 1.513 14.945 -3.815 1.00 22.22 H new ATOM 0 HG21 VAL A 17 0.609 15.104 -6.761 1.00 44.32 H new ATOM 0 HG22 VAL A 17 1.626 13.795 -6.113 1.00 44.32 H new ATOM 0 HG23 VAL A 17 0.101 13.408 -6.944 1.00 44.32 H new ATOM 258 N ALA A 18 -0.284 12.458 -1.882 1.00 25.43 N ATOM 259 CA ALA A 18 -0.885 12.512 -0.556 1.00 61.11 C ATOM 260 C ALA A 18 -1.518 13.874 -0.296 1.00 13.13 C ATOM 261 O ALA A 18 -0.863 14.787 0.206 1.00 3.40 O ATOM 262 CB ALA A 18 0.156 12.199 0.509 1.00 43.23 C ATOM 0 H ALA A 18 0.639 12.025 -1.909 1.00 25.43 H new ATOM 0 HA ALA A 18 -1.672 11.760 -0.510 1.00 61.11 H new ATOM 0 HB1 ALA A 18 -0.307 12.243 1.495 1.00 43.23 H new ATOM 0 HB2 ALA A 18 0.559 11.200 0.342 1.00 43.23 H new ATOM 0 HB3 ALA A 18 0.963 12.929 0.455 1.00 43.23 H new ATOM 268 N GLN A 19 -2.796 14.003 -0.639 1.00 53.53 N ATOM 269 CA GLN A 19 -3.516 15.257 -0.442 1.00 5.23 C ATOM 270 C GLN A 19 -3.089 15.932 0.857 1.00 22.51 C ATOM 271 O GLN A 19 -2.419 16.963 0.838 1.00 52.13 O ATOM 272 CB GLN A 19 -5.025 15.004 -0.429 1.00 72.13 C ATOM 273 CG GLN A 19 -5.755 15.619 -1.613 1.00 15.34 C ATOM 274 CD GLN A 19 -5.185 15.173 -2.945 1.00 3.50 C ATOM 275 OE1 GLN A 19 -5.624 14.176 -3.519 1.00 43.31 O ATOM 276 NE2 GLN A 19 -4.201 15.912 -3.445 1.00 53.51 N ATOM 0 H GLN A 19 -3.354 13.256 -1.054 1.00 53.53 H new ATOM 0 HA GLN A 19 -3.273 15.922 -1.271 1.00 5.23 H new ATOM 0 HB2 GLN A 19 -5.205 13.929 -0.420 1.00 72.13 H new ATOM 0 HB3 GLN A 19 -5.444 15.405 0.494 1.00 72.13 H new ATOM 0 HG2 GLN A 19 -6.810 15.349 -1.565 1.00 15.34 H new ATOM 0 HG3 GLN A 19 -5.701 16.705 -1.544 1.00 15.34 H new ATOM 0 HE21 GLN A 19 -3.868 16.730 -2.935 1.00 53.51 H new ATOM 0 HE22 GLN A 19 -3.778 15.661 -4.339 1.00 53.51 H new ATOM 285 N GLN A 20 -3.483 15.343 1.981 1.00 24.13 N ATOM 286 CA GLN A 20 -3.141 15.890 3.289 1.00 25.42 C ATOM 287 C GLN A 20 -1.707 15.539 3.668 1.00 11.40 C ATOM 288 O GLN A 20 -1.215 14.459 3.341 1.00 12.20 O ATOM 289 CB GLN A 20 -4.106 15.361 4.353 1.00 52.14 C ATOM 290 CG GLN A 20 -4.263 16.290 5.547 1.00 5.21 C ATOM 291 CD GLN A 20 -4.804 15.580 6.771 1.00 33.34 C ATOM 292 OE1 GLN A 20 -5.201 14.416 6.704 1.00 62.13 O ATOM 293 NE2 GLN A 20 -4.825 16.278 7.900 1.00 52.53 N ATOM 0 H GLN A 20 -4.039 14.488 2.013 1.00 24.13 H new ATOM 0 HA GLN A 20 -3.228 16.975 3.235 1.00 25.42 H new ATOM 0 HB2 GLN A 20 -5.083 15.200 3.898 1.00 52.14 H new ATOM 0 HB3 GLN A 20 -3.753 14.391 4.702 1.00 52.14 H new ATOM 0 HG2 GLN A 20 -3.297 16.734 5.787 1.00 5.21 H new ATOM 0 HG3 GLN A 20 -4.932 17.108 5.281 1.00 5.21 H new ATOM 0 HE21 GLN A 20 -4.486 17.240 7.911 1.00 52.53 H new ATOM 0 HE22 GLN A 20 -5.180 15.852 8.756 1.00 52.53 H new ATOM 302 N GLU A 21 -1.040 16.460 4.358 1.00 20.33 N ATOM 303 CA GLU A 21 0.339 16.247 4.780 1.00 42.31 C ATOM 304 C GLU A 21 0.474 14.946 5.566 1.00 73.53 C ATOM 305 O GLU A 21 1.561 14.379 5.665 1.00 53.11 O ATOM 306 CB GLU A 21 0.822 17.424 5.630 1.00 44.42 C ATOM 307 CG GLU A 21 0.073 17.575 6.943 1.00 21.25 C ATOM 308 CD GLU A 21 0.971 17.401 8.151 1.00 74.43 C ATOM 309 OE1 GLU A 21 0.922 16.322 8.778 1.00 64.32 O ATOM 310 OE2 GLU A 21 1.723 18.346 8.472 1.00 14.32 O ATOM 0 H GLU A 21 -1.432 17.360 4.636 1.00 20.33 H new ATOM 0 HA GLU A 21 0.959 16.175 3.886 1.00 42.31 H new ATOM 0 HB2 GLU A 21 1.884 17.298 5.840 1.00 44.42 H new ATOM 0 HB3 GLU A 21 0.718 18.344 5.054 1.00 44.42 H new ATOM 0 HG2 GLU A 21 -0.392 18.560 6.980 1.00 21.25 H new ATOM 0 HG3 GLU A 21 -0.731 16.841 6.984 1.00 21.25 H new ATOM 318 N GLN A 22 -0.639 14.482 6.125 1.00 35.34 N ATOM 319 CA GLN A 22 -0.646 13.250 6.904 1.00 52.31 C ATOM 320 C GLN A 22 -0.542 12.030 5.996 1.00 63.45 C ATOM 321 O GLN A 22 0.104 11.041 6.339 1.00 35.02 O ATOM 322 CB GLN A 22 -1.916 13.164 7.751 1.00 31.32 C ATOM 323 CG GLN A 22 -1.966 11.939 8.651 1.00 61.43 C ATOM 324 CD GLN A 22 -2.944 12.098 9.799 1.00 42.44 C ATOM 325 OE1 GLN A 22 -2.628 12.713 10.818 1.00 42.24 O ATOM 326 NE2 GLN A 22 -4.139 11.543 9.639 1.00 73.13 N ATOM 0 H GLN A 22 -1.547 14.941 6.053 1.00 35.34 H new ATOM 0 HA GLN A 22 0.222 13.263 7.564 1.00 52.31 H new ATOM 0 HB2 GLN A 22 -1.993 14.060 8.367 1.00 31.32 H new ATOM 0 HB3 GLN A 22 -2.783 13.155 7.091 1.00 31.32 H new ATOM 0 HG2 GLN A 22 -2.246 11.068 8.058 1.00 61.43 H new ATOM 0 HG3 GLN A 22 -0.971 11.746 9.051 1.00 61.43 H new ATOM 0 HE21 GLN A 22 -4.358 11.043 8.778 1.00 73.13 H new ATOM 0 HE22 GLN A 22 -4.839 11.617 10.377 1.00 73.13 H new ATOM 335 N GLU A 23 -1.184 12.108 4.834 1.00 0.20 N ATOM 336 CA GLU A 23 -1.165 11.009 3.875 1.00 13.55 C ATOM 337 C GLU A 23 0.242 10.789 3.328 1.00 55.14 C ATOM 338 O GLU A 23 1.088 11.684 3.381 1.00 4.01 O ATOM 339 CB GLU A 23 -2.134 11.288 2.725 1.00 62.12 C ATOM 340 CG GLU A 23 -3.585 11.395 3.164 1.00 45.32 C ATOM 341 CD GLU A 23 -4.423 12.226 2.212 1.00 24.21 C ATOM 342 OE1 GLU A 23 -5.636 12.378 2.468 1.00 4.12 O ATOM 343 OE2 GLU A 23 -3.866 12.724 1.211 1.00 23.14 O ATOM 0 H GLU A 23 -1.723 12.920 4.534 1.00 0.20 H new ATOM 0 HA GLU A 23 -1.480 10.103 4.393 1.00 13.55 H new ATOM 0 HB2 GLU A 23 -1.843 12.216 2.233 1.00 62.12 H new ATOM 0 HB3 GLU A 23 -2.045 10.493 1.985 1.00 62.12 H new ATOM 0 HG2 GLU A 23 -4.012 10.395 3.240 1.00 45.32 H new ATOM 0 HG3 GLU A 23 -3.628 11.836 4.160 1.00 45.32 H new ATOM 351 N LEU A 24 0.487 9.594 2.802 1.00 22.14 N ATOM 352 CA LEU A 24 1.791 9.255 2.245 1.00 71.10 C ATOM 353 C LEU A 24 1.727 9.169 0.723 1.00 54.03 C ATOM 354 O LEU A 24 0.864 8.492 0.165 1.00 13.02 O ATOM 355 CB LEU A 24 2.285 7.927 2.822 1.00 44.45 C ATOM 356 CG LEU A 24 3.235 7.121 1.934 1.00 71.14 C ATOM 357 CD1 LEU A 24 4.463 7.946 1.581 1.00 64.03 C ATOM 358 CD2 LEU A 24 3.639 5.826 2.623 1.00 70.23 C ATOM 0 H LEU A 24 -0.201 8.843 2.750 1.00 22.14 H new ATOM 0 HA LEU A 24 2.491 10.045 2.517 1.00 71.10 H new ATOM 0 HB2 LEU A 24 2.788 8.129 3.768 1.00 44.45 H new ATOM 0 HB3 LEU A 24 1.418 7.307 3.048 1.00 44.45 H new ATOM 0 HG LEU A 24 2.714 6.870 1.010 1.00 71.14 H new ATOM 0 HD11 LEU A 24 5.128 7.357 0.949 1.00 64.03 H new ATOM 0 HD12 LEU A 24 4.156 8.845 1.046 1.00 64.03 H new ATOM 0 HD13 LEU A 24 4.987 8.228 2.494 1.00 64.03 H new ATOM 0 HD21 LEU A 24 4.315 5.266 1.977 1.00 70.23 H new ATOM 0 HD22 LEU A 24 4.142 6.055 3.562 1.00 70.23 H new ATOM 0 HD23 LEU A 24 2.750 5.228 2.824 1.00 70.23 H new ATOM 370 N ASP A 25 2.648 9.859 0.058 1.00 24.42 N ATOM 371 CA ASP A 25 2.698 9.858 -1.400 1.00 75.11 C ATOM 372 C ASP A 25 3.064 8.476 -1.930 1.00 13.30 C ATOM 373 O ASP A 25 3.769 7.713 -1.268 1.00 74.41 O ATOM 374 CB ASP A 25 3.709 10.894 -1.896 1.00 1.25 C ATOM 375 CG ASP A 25 5.102 10.652 -1.349 1.00 50.12 C ATOM 376 OD1 ASP A 25 5.588 9.505 -1.447 1.00 65.21 O ATOM 377 OD2 ASP A 25 5.706 11.609 -0.823 1.00 40.33 O ATOM 0 H ASP A 25 3.369 10.425 0.505 1.00 24.42 H new ATOM 0 HA ASP A 25 1.708 10.119 -1.774 1.00 75.11 H new ATOM 0 HB2 ASP A 25 3.741 10.873 -2.985 1.00 1.25 H new ATOM 0 HB3 ASP A 25 3.376 11.890 -1.606 1.00 1.25 H new ATOM 383 N ILE A 26 2.582 8.161 -3.128 1.00 33.04 N ATOM 384 CA ILE A 26 2.860 6.870 -3.746 1.00 61.14 C ATOM 385 C ILE A 26 3.447 7.045 -5.142 1.00 64.42 C ATOM 386 O ILE A 26 3.616 8.166 -5.621 1.00 45.33 O ATOM 387 CB ILE A 26 1.588 6.006 -3.840 1.00 51.42 C ATOM 388 CG1 ILE A 26 0.859 6.275 -5.158 1.00 22.41 C ATOM 389 CG2 ILE A 26 0.673 6.280 -2.656 1.00 70.55 C ATOM 390 CD1 ILE A 26 -0.453 5.533 -5.285 1.00 32.21 C ATOM 0 H ILE A 26 1.998 8.781 -3.689 1.00 33.04 H new ATOM 0 HA ILE A 26 3.586 6.364 -3.110 1.00 61.14 H new ATOM 0 HB ILE A 26 1.877 4.955 -3.815 1.00 51.42 H new ATOM 0 HG12 ILE A 26 0.672 7.345 -5.249 1.00 22.41 H new ATOM 0 HG13 ILE A 26 1.508 5.993 -5.987 1.00 22.41 H new ATOM 0 HG21 ILE A 26 -0.221 5.662 -2.737 1.00 70.55 H new ATOM 0 HG22 ILE A 26 1.196 6.042 -1.730 1.00 70.55 H new ATOM 0 HG23 ILE A 26 0.388 7.332 -2.652 1.00 70.55 H new ATOM 0 HD11 ILE A 26 -0.914 5.771 -6.243 1.00 32.21 H new ATOM 0 HD12 ILE A 26 -0.271 4.460 -5.226 1.00 32.21 H new ATOM 0 HD13 ILE A 26 -1.120 5.833 -4.477 1.00 32.21 H new ATOM 402 N LYS A 27 3.753 5.928 -5.793 1.00 23.14 N ATOM 403 CA LYS A 27 4.318 5.956 -7.137 1.00 1.15 C ATOM 404 C LYS A 27 3.869 4.739 -7.940 1.00 5.40 C ATOM 405 O LYS A 27 3.726 3.642 -7.400 1.00 14.51 O ATOM 406 CB LYS A 27 5.847 6.000 -7.069 1.00 30.03 C ATOM 407 CG LYS A 27 6.521 5.775 -8.411 1.00 3.43 C ATOM 408 CD LYS A 27 6.407 6.997 -9.306 1.00 74.30 C ATOM 409 CE LYS A 27 7.051 8.217 -8.667 1.00 42.34 C ATOM 410 NZ LYS A 27 7.385 9.261 -9.677 1.00 34.55 N ATOM 0 H LYS A 27 3.619 4.992 -5.411 1.00 23.14 H new ATOM 0 HA LYS A 27 3.957 6.854 -7.638 1.00 1.15 H new ATOM 0 HB2 LYS A 27 6.157 6.967 -6.673 1.00 30.03 H new ATOM 0 HB3 LYS A 27 6.193 5.242 -6.366 1.00 30.03 H new ATOM 0 HG2 LYS A 27 7.573 5.535 -8.255 1.00 3.43 H new ATOM 0 HG3 LYS A 27 6.068 4.917 -8.907 1.00 3.43 H new ATOM 0 HD2 LYS A 27 6.883 6.793 -10.265 1.00 74.30 H new ATOM 0 HD3 LYS A 27 5.356 7.203 -9.510 1.00 74.30 H new ATOM 0 HE2 LYS A 27 6.375 8.636 -7.921 1.00 42.34 H new ATOM 0 HE3 LYS A 27 7.958 7.916 -8.142 1.00 42.34 H new ATOM 0 HZ1 LYS A 27 7.822 10.076 -9.202 1.00 34.55 H new ATOM 0 HZ2 LYS A 27 8.050 8.869 -10.374 1.00 34.55 H new ATOM 0 HZ3 LYS A 27 6.516 9.567 -10.160 1.00 34.55 H new ATOM 424 N LYS A 28 3.650 4.939 -9.236 1.00 30.00 N ATOM 425 CA LYS A 28 3.221 3.859 -10.116 1.00 32.21 C ATOM 426 C LYS A 28 4.281 2.766 -10.193 1.00 11.31 C ATOM 427 O LYS A 28 5.472 3.051 -10.314 1.00 4.03 O ATOM 428 CB LYS A 28 2.929 4.401 -11.517 1.00 63.22 C ATOM 429 CG LYS A 28 2.797 3.317 -12.573 1.00 51.21 C ATOM 430 CD LYS A 28 3.890 3.426 -13.623 1.00 41.03 C ATOM 431 CE LYS A 28 3.434 2.866 -14.962 1.00 5.30 C ATOM 432 NZ LYS A 28 4.432 3.120 -16.038 1.00 70.22 N ATOM 0 H LYS A 28 3.763 5.840 -9.700 1.00 30.00 H new ATOM 0 HA LYS A 28 2.309 3.427 -9.703 1.00 32.21 H new ATOM 0 HB2 LYS A 28 2.007 4.982 -11.488 1.00 63.22 H new ATOM 0 HB3 LYS A 28 3.728 5.084 -11.807 1.00 63.22 H new ATOM 0 HG2 LYS A 28 2.844 2.337 -12.098 1.00 51.21 H new ATOM 0 HG3 LYS A 28 1.821 3.392 -13.053 1.00 51.21 H new ATOM 0 HD2 LYS A 28 4.178 4.470 -13.743 1.00 41.03 H new ATOM 0 HD3 LYS A 28 4.776 2.888 -13.285 1.00 41.03 H new ATOM 0 HE2 LYS A 28 3.266 1.793 -14.869 1.00 5.30 H new ATOM 0 HE3 LYS A 28 2.480 3.316 -15.238 1.00 5.30 H new ATOM 0 HZ1 LYS A 28 4.085 2.723 -16.934 1.00 70.22 H new ATOM 0 HZ2 LYS A 28 4.574 4.145 -16.145 1.00 70.22 H new ATOM 0 HZ3 LYS A 28 5.335 2.670 -15.787 1.00 70.22 H new ATOM 446 N ASN A 29 3.841 1.514 -10.123 1.00 60.22 N ATOM 447 CA ASN A 29 4.753 0.377 -10.187 1.00 74.33 C ATOM 448 C ASN A 29 5.715 0.386 -9.002 1.00 31.45 C ATOM 449 O ASN A 29 6.856 -0.061 -9.114 1.00 32.24 O ATOM 450 CB ASN A 29 5.541 0.402 -11.498 1.00 55.04 C ATOM 451 CG ASN A 29 5.302 -0.836 -12.339 1.00 32.54 C ATOM 452 OD1 ASN A 29 5.679 -1.944 -11.955 1.00 22.11 O ATOM 453 ND2 ASN A 29 4.672 -0.654 -13.494 1.00 61.11 N ATOM 0 H ASN A 29 2.858 1.261 -10.022 1.00 60.22 H new ATOM 0 HA ASN A 29 4.160 -0.537 -10.145 1.00 74.33 H new ATOM 0 HB2 ASN A 29 5.261 1.286 -12.070 1.00 55.04 H new ATOM 0 HB3 ASN A 29 6.605 0.489 -11.278 1.00 55.04 H new ATOM 0 HD21 ASN A 29 4.483 -1.450 -14.103 1.00 61.11 H new ATOM 0 HD22 ASN A 29 4.377 0.282 -13.772 1.00 61.11 H new ATOM 460 N GLU A 30 5.244 0.896 -7.868 1.00 64.32 N ATOM 461 CA GLU A 30 6.062 0.962 -6.663 1.00 74.13 C ATOM 462 C GLU A 30 5.504 0.049 -5.576 1.00 14.22 C ATOM 463 O GLU A 30 4.396 0.261 -5.082 1.00 24.04 O ATOM 464 CB GLU A 30 6.136 2.401 -6.148 1.00 2.32 C ATOM 465 CG GLU A 30 7.397 2.700 -5.354 1.00 23.42 C ATOM 466 CD GLU A 30 8.364 3.591 -6.109 1.00 14.23 C ATOM 467 OE1 GLU A 30 9.176 4.275 -5.450 1.00 21.01 O ATOM 468 OE2 GLU A 30 8.310 3.605 -7.356 1.00 22.43 O ATOM 0 H GLU A 30 4.301 1.269 -7.759 1.00 64.32 H new ATOM 0 HA GLU A 30 7.066 0.623 -6.918 1.00 74.13 H new ATOM 0 HB2 GLU A 30 6.080 3.084 -6.995 1.00 2.32 H new ATOM 0 HB3 GLU A 30 5.267 2.599 -5.521 1.00 2.32 H new ATOM 0 HG2 GLU A 30 7.125 3.180 -4.414 1.00 23.42 H new ATOM 0 HG3 GLU A 30 7.894 1.763 -5.101 1.00 23.42 H new ATOM 476 N ARG A 31 6.279 -0.966 -5.207 1.00 42.21 N ATOM 477 CA ARG A 31 5.862 -1.913 -4.180 1.00 74.33 C ATOM 478 C ARG A 31 5.959 -1.285 -2.792 1.00 24.54 C ATOM 479 O ARG A 31 7.043 -0.914 -2.341 1.00 65.22 O ATOM 480 CB ARG A 31 6.721 -3.176 -4.241 1.00 43.12 C ATOM 481 CG ARG A 31 6.258 -4.176 -5.289 1.00 11.23 C ATOM 482 CD ARG A 31 6.524 -3.671 -6.698 1.00 20.23 C ATOM 483 NE ARG A 31 7.663 -4.345 -7.316 1.00 61.33 N ATOM 484 CZ ARG A 31 7.574 -5.511 -7.944 1.00 4.34 C ATOM 485 NH1 ARG A 31 6.406 -6.132 -8.037 1.00 53.33 N ATOM 486 NH2 ARG A 31 8.657 -6.061 -8.480 1.00 60.25 N ATOM 0 H ARG A 31 7.200 -1.153 -5.604 1.00 42.21 H new ATOM 0 HA ARG A 31 4.822 -2.181 -4.368 1.00 74.33 H new ATOM 0 HB2 ARG A 31 7.753 -2.894 -4.451 1.00 43.12 H new ATOM 0 HB3 ARG A 31 6.714 -3.658 -3.263 1.00 43.12 H new ATOM 0 HG2 ARG A 31 6.772 -5.126 -5.139 1.00 11.23 H new ATOM 0 HG3 ARG A 31 5.192 -4.367 -5.165 1.00 11.23 H new ATOM 0 HD2 ARG A 31 5.636 -3.824 -7.311 1.00 20.23 H new ATOM 0 HD3 ARG A 31 6.710 -2.597 -6.669 1.00 20.23 H new ATOM 0 HE ARG A 31 8.577 -3.895 -7.262 1.00 61.33 H new ATOM 0 HH11 ARG A 31 5.572 -5.714 -7.625 1.00 53.33 H new ATOM 0 HH12 ARG A 31 6.342 -7.028 -8.520 1.00 53.33 H new ATOM 0 HH21 ARG A 31 9.558 -5.588 -8.409 1.00 60.25 H new ATOM 0 HH22 ARG A 31 8.588 -6.957 -8.963 1.00 60.25 H new ATOM 500 N LEU A 32 4.819 -1.171 -2.120 1.00 31.24 N ATOM 501 CA LEU A 32 4.775 -0.589 -0.783 1.00 34.13 C ATOM 502 C LEU A 32 4.461 -1.654 0.264 1.00 73.33 C ATOM 503 O LEU A 32 4.008 -2.750 -0.066 1.00 60.44 O ATOM 504 CB LEU A 32 3.727 0.524 -0.724 1.00 53.31 C ATOM 505 CG LEU A 32 3.992 1.741 -1.611 1.00 41.43 C ATOM 506 CD1 LEU A 32 2.682 2.392 -2.029 1.00 43.42 C ATOM 507 CD2 LEU A 32 4.881 2.744 -0.889 1.00 60.40 C ATOM 0 H LEU A 32 3.913 -1.474 -2.478 1.00 31.24 H new ATOM 0 HA LEU A 32 5.756 -0.168 -0.564 1.00 34.13 H new ATOM 0 HB2 LEU A 32 2.761 0.101 -1.000 1.00 53.31 H new ATOM 0 HB3 LEU A 32 3.643 0.863 0.309 1.00 53.31 H new ATOM 0 HG LEU A 32 4.511 1.406 -2.509 1.00 41.43 H new ATOM 0 HD11 LEU A 32 2.890 3.256 -2.660 1.00 43.42 H new ATOM 0 HD12 LEU A 32 2.080 1.674 -2.585 1.00 43.42 H new ATOM 0 HD13 LEU A 32 2.136 2.713 -1.142 1.00 43.42 H new ATOM 0 HD21 LEU A 32 5.059 3.604 -1.535 1.00 60.40 H new ATOM 0 HD22 LEU A 32 4.389 3.074 0.026 1.00 60.40 H new ATOM 0 HD23 LEU A 32 5.832 2.274 -0.640 1.00 60.40 H new ATOM 519 N TRP A 33 4.702 -1.322 1.528 1.00 41.44 N ATOM 520 CA TRP A 33 4.443 -2.249 2.623 1.00 53.42 C ATOM 521 C TRP A 33 3.183 -1.852 3.386 1.00 2.54 C ATOM 522 O TRP A 33 3.055 -0.715 3.842 1.00 64.41 O ATOM 523 CB TRP A 33 5.639 -2.291 3.576 1.00 12.11 C ATOM 524 CG TRP A 33 6.932 -2.617 2.893 1.00 2.12 C ATOM 525 CD1 TRP A 33 7.513 -3.848 2.781 1.00 70.30 C ATOM 526 CD2 TRP A 33 7.806 -1.697 2.229 1.00 24.13 C ATOM 527 NE1 TRP A 33 8.695 -3.750 2.087 1.00 60.54 N ATOM 528 CE2 TRP A 33 8.896 -2.441 1.736 1.00 55.42 C ATOM 529 CE3 TRP A 33 7.772 -0.319 1.999 1.00 15.32 C ATOM 530 CZ2 TRP A 33 9.942 -1.850 1.032 1.00 24.12 C ATOM 531 CZ3 TRP A 33 8.810 0.266 1.300 1.00 1.33 C ATOM 532 CH2 TRP A 33 9.882 -0.499 0.822 1.00 53.32 C ATOM 0 H TRP A 33 5.076 -0.419 1.819 1.00 41.44 H new ATOM 0 HA TRP A 33 4.290 -3.241 2.198 1.00 53.42 H new ATOM 0 HB2 TRP A 33 5.732 -1.325 4.073 1.00 12.11 H new ATOM 0 HB3 TRP A 33 5.450 -3.032 4.353 1.00 12.11 H new ATOM 0 HD1 TRP A 33 7.103 -4.764 3.180 1.00 70.30 H new ATOM 0 HE1 TRP A 33 9.321 -4.525 1.869 1.00 60.54 H new ATOM 0 HE3 TRP A 33 6.948 0.278 2.361 1.00 15.32 H new ATOM 0 HZ2 TRP A 33 10.771 -2.437 0.665 1.00 24.12 H new ATOM 0 HZ3 TRP A 33 8.795 1.331 1.119 1.00 1.33 H new ATOM 0 HH2 TRP A 33 10.677 -0.013 0.277 1.00 53.32 H new ATOM 543 N LEU A 34 2.258 -2.795 3.520 1.00 35.44 N ATOM 544 CA LEU A 34 1.007 -2.543 4.229 1.00 50.11 C ATOM 545 C LEU A 34 1.188 -2.722 5.733 1.00 75.31 C ATOM 546 O LEU A 34 1.801 -3.690 6.185 1.00 4.21 O ATOM 547 CB LEU A 34 -0.087 -3.482 3.721 1.00 25.53 C ATOM 548 CG LEU A 34 -1.514 -3.148 4.157 1.00 24.34 C ATOM 549 CD1 LEU A 34 -2.070 -1.997 3.332 1.00 32.13 C ATOM 550 CD2 LEU A 34 -2.409 -4.373 4.037 1.00 72.30 C ATOM 0 H LEU A 34 2.349 -3.740 3.148 1.00 35.44 H new ATOM 0 HA LEU A 34 0.711 -1.512 4.037 1.00 50.11 H new ATOM 0 HB2 LEU A 34 -0.054 -3.490 2.632 1.00 25.53 H new ATOM 0 HB3 LEU A 34 0.146 -4.493 4.055 1.00 25.53 H new ATOM 0 HG LEU A 34 -1.491 -2.840 5.202 1.00 24.34 H new ATOM 0 HD11 LEU A 34 -3.086 -1.774 3.657 1.00 32.13 H new ATOM 0 HD12 LEU A 34 -1.444 -1.115 3.469 1.00 32.13 H new ATOM 0 HD13 LEU A 34 -2.079 -2.276 2.278 1.00 32.13 H new ATOM 0 HD21 LEU A 34 -3.421 -4.117 4.351 1.00 72.30 H new ATOM 0 HD22 LEU A 34 -2.426 -4.711 3.001 1.00 72.30 H new ATOM 0 HD23 LEU A 34 -2.022 -5.170 4.673 1.00 72.30 H new ATOM 562 N LEU A 35 0.648 -1.784 6.504 1.00 44.21 N ATOM 563 CA LEU A 35 0.748 -1.839 7.958 1.00 74.43 C ATOM 564 C LEU A 35 -0.636 -1.826 8.600 1.00 45.21 C ATOM 565 O LEU A 35 -0.827 -2.349 9.697 1.00 73.20 O ATOM 566 CB LEU A 35 1.573 -0.660 8.477 1.00 14.22 C ATOM 567 CG LEU A 35 2.967 -0.498 7.869 1.00 72.23 C ATOM 568 CD1 LEU A 35 3.567 0.845 8.260 1.00 30.44 C ATOM 569 CD2 LEU A 35 3.876 -1.637 8.306 1.00 60.30 C ATOM 0 H LEU A 35 0.137 -0.977 6.147 1.00 44.21 H new ATOM 0 HA LEU A 35 1.246 -2.770 8.228 1.00 74.43 H new ATOM 0 HB2 LEU A 35 1.012 0.257 8.299 1.00 14.22 H new ATOM 0 HB3 LEU A 35 1.679 -0.764 9.557 1.00 14.22 H new ATOM 0 HG LEU A 35 2.874 -0.530 6.783 1.00 72.23 H new ATOM 0 HD11 LEU A 35 4.559 0.943 7.819 1.00 30.44 H new ATOM 0 HD12 LEU A 35 2.927 1.649 7.897 1.00 30.44 H new ATOM 0 HD13 LEU A 35 3.645 0.906 9.345 1.00 30.44 H new ATOM 0 HD21 LEU A 35 4.863 -1.505 7.864 1.00 60.30 H new ATOM 0 HD22 LEU A 35 3.962 -1.637 9.393 1.00 60.30 H new ATOM 0 HD23 LEU A 35 3.454 -2.586 7.975 1.00 60.30 H new ATOM 581 N ASP A 36 -1.598 -1.228 7.906 1.00 71.02 N ATOM 582 CA ASP A 36 -2.966 -1.150 8.405 1.00 74.30 C ATOM 583 C ASP A 36 -3.952 -0.933 7.262 1.00 45.42 C ATOM 584 O ASP A 36 -3.953 0.120 6.622 1.00 5.14 O ATOM 585 CB ASP A 36 -3.095 -0.019 9.428 1.00 5.43 C ATOM 586 CG ASP A 36 -3.448 -0.528 10.811 1.00 75.41 C ATOM 587 OD1 ASP A 36 -4.635 -0.842 11.043 1.00 70.42 O ATOM 588 OD2 ASP A 36 -2.540 -0.612 11.662 1.00 10.52 O ATOM 0 H ASP A 36 -1.456 -0.790 6.996 1.00 71.02 H new ATOM 0 HA ASP A 36 -3.203 -2.097 8.889 1.00 74.30 H new ATOM 0 HB2 ASP A 36 -2.156 0.533 9.476 1.00 5.43 H new ATOM 0 HB3 ASP A 36 -3.860 0.682 9.096 1.00 5.43 H new ATOM 594 N ASP A 37 -4.786 -1.934 7.008 1.00 10.40 N ATOM 595 CA ASP A 37 -5.777 -1.853 5.941 1.00 10.34 C ATOM 596 C ASP A 37 -7.191 -1.951 6.504 1.00 62.00 C ATOM 597 O ASP A 37 -8.169 -1.718 5.793 1.00 35.10 O ATOM 598 CB ASP A 37 -5.544 -2.964 4.915 1.00 73.02 C ATOM 599 CG ASP A 37 -6.134 -4.290 5.353 1.00 74.21 C ATOM 600 OD1 ASP A 37 -5.354 -5.205 5.689 1.00 50.44 O ATOM 601 OD2 ASP A 37 -7.377 -4.412 5.362 1.00 75.41 O ATOM 0 H ASP A 37 -4.796 -2.812 7.527 1.00 10.40 H new ATOM 0 HA ASP A 37 -5.668 -0.886 5.449 1.00 10.34 H new ATOM 0 HB2 ASP A 37 -5.983 -2.672 3.961 1.00 73.02 H new ATOM 0 HB3 ASP A 37 -4.473 -3.083 4.750 1.00 73.02 H new ATOM 607 N SER A 38 -7.291 -2.297 7.783 1.00 24.25 N ATOM 608 CA SER A 38 -8.586 -2.431 8.439 1.00 33.43 C ATOM 609 C SER A 38 -9.352 -1.112 8.402 1.00 23.24 C ATOM 610 O SER A 38 -10.548 -1.083 8.108 1.00 51.53 O ATOM 611 CB SER A 38 -8.402 -2.886 9.889 1.00 25.24 C ATOM 612 OG SER A 38 -8.894 -4.202 10.076 1.00 1.21 O ATOM 0 H SER A 38 -6.491 -2.490 8.386 1.00 24.25 H new ATOM 0 HA SER A 38 -9.163 -3.182 7.900 1.00 33.43 H new ATOM 0 HB2 SER A 38 -7.345 -2.848 10.154 1.00 25.24 H new ATOM 0 HB3 SER A 38 -8.923 -2.201 10.558 1.00 25.24 H new ATOM 0 HG SER A 38 -8.764 -4.470 11.009 1.00 1.21 H new ATOM 618 N LYS A 39 -8.656 -0.021 8.702 1.00 3.43 N ATOM 619 CA LYS A 39 -9.268 1.302 8.703 1.00 4.43 C ATOM 620 C LYS A 39 -9.606 1.745 7.283 1.00 11.50 C ATOM 621 O LYS A 39 -8.927 1.369 6.327 1.00 73.32 O ATOM 622 CB LYS A 39 -8.330 2.319 9.357 1.00 64.14 C ATOM 623 CG LYS A 39 -8.436 2.358 10.871 1.00 55.12 C ATOM 624 CD LYS A 39 -9.311 3.509 11.340 1.00 42.43 C ATOM 625 CE LYS A 39 -10.169 3.109 12.529 1.00 72.12 C ATOM 626 NZ LYS A 39 -9.813 3.877 13.755 1.00 2.53 N ATOM 0 H LYS A 39 -7.666 -0.027 8.948 1.00 3.43 H new ATOM 0 HA LYS A 39 -10.193 1.248 9.278 1.00 4.43 H new ATOM 0 HB2 LYS A 39 -7.303 2.084 9.079 1.00 64.14 H new ATOM 0 HB3 LYS A 39 -8.549 3.310 8.960 1.00 64.14 H new ATOM 0 HG2 LYS A 39 -8.848 1.416 11.232 1.00 55.12 H new ATOM 0 HG3 LYS A 39 -7.441 2.457 11.304 1.00 55.12 H new ATOM 0 HD2 LYS A 39 -8.683 4.357 11.612 1.00 42.43 H new ATOM 0 HD3 LYS A 39 -9.952 3.837 10.522 1.00 42.43 H new ATOM 0 HE2 LYS A 39 -11.220 3.273 12.290 1.00 72.12 H new ATOM 0 HE3 LYS A 39 -10.049 2.043 12.721 1.00 72.12 H new ATOM 0 HZ1 LYS A 39 -10.421 3.575 14.543 1.00 2.53 H new ATOM 0 HZ2 LYS A 39 -8.817 3.701 13.998 1.00 2.53 H new ATOM 0 HZ3 LYS A 39 -9.952 4.893 13.581 1.00 2.53 H new ATOM 640 N SER A 40 -10.658 2.548 7.153 1.00 4.43 N ATOM 641 CA SER A 40 -11.087 3.040 5.849 1.00 50.21 C ATOM 642 C SER A 40 -9.888 3.280 4.937 1.00 0.43 C ATOM 643 O SER A 40 -9.811 2.731 3.838 1.00 42.41 O ATOM 644 CB SER A 40 -11.888 4.334 6.008 1.00 54.02 C ATOM 645 OG SER A 40 -12.417 4.761 4.765 1.00 20.40 O ATOM 0 H SER A 40 -11.228 2.871 7.934 1.00 4.43 H new ATOM 0 HA SER A 40 -11.722 2.281 5.392 1.00 50.21 H new ATOM 0 HB2 SER A 40 -12.700 4.178 6.718 1.00 54.02 H new ATOM 0 HB3 SER A 40 -11.248 5.113 6.422 1.00 54.02 H new ATOM 0 HG SER A 40 -12.926 5.589 4.893 1.00 20.40 H new ATOM 651 N TRP A 41 -8.955 4.103 5.402 1.00 2.33 N ATOM 652 CA TRP A 41 -7.758 4.416 4.629 1.00 3.24 C ATOM 653 C TRP A 41 -6.669 3.375 4.866 1.00 23.01 C ATOM 654 O TRP A 41 -6.298 3.101 6.007 1.00 51.40 O ATOM 655 CB TRP A 41 -7.239 5.807 4.995 1.00 41.43 C ATOM 656 CG TRP A 41 -8.024 6.918 4.365 1.00 13.25 C ATOM 657 CD1 TRP A 41 -9.302 7.291 4.667 1.00 20.21 C ATOM 658 CD2 TRP A 41 -7.581 7.798 3.327 1.00 12.02 C ATOM 659 NE1 TRP A 41 -9.682 8.351 3.878 1.00 41.51 N ATOM 660 CE2 TRP A 41 -8.643 8.681 3.048 1.00 50.31 C ATOM 661 CE3 TRP A 41 -6.391 7.928 2.607 1.00 41.45 C ATOM 662 CZ2 TRP A 41 -8.548 9.676 2.080 1.00 50.13 C ATOM 663 CZ3 TRP A 41 -6.298 8.917 1.645 1.00 15.43 C ATOM 664 CH2 TRP A 41 -7.370 9.781 1.390 1.00 61.31 C ATOM 0 H TRP A 41 -9.004 4.565 6.310 1.00 2.33 H new ATOM 0 HA TRP A 41 -8.024 4.402 3.572 1.00 3.24 H new ATOM 0 HB2 TRP A 41 -7.264 5.923 6.079 1.00 41.43 H new ATOM 0 HB3 TRP A 41 -6.196 5.890 4.690 1.00 41.43 H new ATOM 0 HD1 TRP A 41 -9.923 6.822 5.416 1.00 20.21 H new ATOM 0 HE1 TRP A 41 -10.589 8.816 3.906 1.00 41.51 H new ATOM 0 HE3 TRP A 41 -5.558 7.268 2.798 1.00 41.45 H new ATOM 0 HZ2 TRP A 41 -9.374 10.342 1.880 1.00 50.13 H new ATOM 0 HZ3 TRP A 41 -5.383 9.025 1.081 1.00 15.43 H new ATOM 0 HH2 TRP A 41 -7.266 10.545 0.634 1.00 61.31 H new ATOM 675 N TRP A 42 -6.162 2.799 3.781 1.00 12.24 N ATOM 676 CA TRP A 42 -5.115 1.788 3.873 1.00 55.22 C ATOM 677 C TRP A 42 -3.757 2.432 4.130 1.00 63.11 C ATOM 678 O TRP A 42 -3.166 3.036 3.233 1.00 20.31 O ATOM 679 CB TRP A 42 -5.065 0.959 2.589 1.00 3.50 C ATOM 680 CG TRP A 42 -6.059 -0.163 2.567 1.00 1.20 C ATOM 681 CD1 TRP A 42 -7.100 -0.352 3.431 1.00 31.20 C ATOM 682 CD2 TRP A 42 -6.105 -1.249 1.636 1.00 24.53 C ATOM 683 NE1 TRP A 42 -7.790 -1.491 3.093 1.00 50.21 N ATOM 684 CE2 TRP A 42 -7.200 -2.060 1.995 1.00 12.10 C ATOM 685 CE3 TRP A 42 -5.329 -1.616 0.533 1.00 35.41 C ATOM 686 CZ2 TRP A 42 -7.535 -3.213 1.290 1.00 34.03 C ATOM 687 CZ3 TRP A 42 -5.663 -2.761 -0.165 1.00 52.23 C ATOM 688 CH2 TRP A 42 -6.758 -3.548 0.215 1.00 63.31 C ATOM 0 H TRP A 42 -6.459 3.015 2.829 1.00 12.24 H new ATOM 0 HA TRP A 42 -5.350 1.133 4.712 1.00 55.22 H new ATOM 0 HB2 TRP A 42 -5.247 1.613 1.736 1.00 3.50 H new ATOM 0 HB3 TRP A 42 -4.062 0.549 2.469 1.00 3.50 H new ATOM 0 HD1 TRP A 42 -7.345 0.298 4.258 1.00 31.20 H new ATOM 0 HE1 TRP A 42 -8.609 -1.854 3.581 1.00 50.21 H new ATOM 0 HE3 TRP A 42 -4.483 -1.015 0.232 1.00 35.41 H new ATOM 0 HZ2 TRP A 42 -8.378 -3.821 1.581 1.00 34.03 H new ATOM 0 HZ3 TRP A 42 -5.070 -3.054 -1.018 1.00 52.23 H new ATOM 0 HH2 TRP A 42 -6.993 -4.437 -0.352 1.00 63.31 H new ATOM 699 N ARG A 43 -3.266 2.300 5.358 1.00 41.33 N ATOM 700 CA ARG A 43 -1.977 2.871 5.731 1.00 32.14 C ATOM 701 C ARG A 43 -0.831 1.995 5.233 1.00 54.32 C ATOM 702 O ARG A 43 -0.683 0.848 5.655 1.00 72.30 O ATOM 703 CB ARG A 43 -1.888 3.032 7.250 1.00 71.23 C ATOM 704 CG ARG A 43 -0.505 3.428 7.740 1.00 1.31 C ATOM 705 CD ARG A 43 -0.249 2.922 9.152 1.00 42.35 C ATOM 706 NE ARG A 43 0.429 3.919 9.975 1.00 51.15 N ATOM 707 CZ ARG A 43 -0.111 5.086 10.311 1.00 23.15 C ATOM 708 NH1 ARG A 43 -1.331 5.399 9.897 1.00 62.12 N ATOM 709 NH2 ARG A 43 0.569 5.941 11.063 1.00 53.23 N ATOM 0 H ARG A 43 -3.741 1.803 6.111 1.00 41.33 H new ATOM 0 HA ARG A 43 -1.892 3.852 5.263 1.00 32.14 H new ATOM 0 HB2 ARG A 43 -2.607 3.786 7.570 1.00 71.23 H new ATOM 0 HB3 ARG A 43 -2.177 2.094 7.724 1.00 71.23 H new ATOM 0 HG2 ARG A 43 0.251 3.025 7.065 1.00 1.31 H new ATOM 0 HG3 ARG A 43 -0.407 4.513 7.718 1.00 1.31 H new ATOM 0 HD2 ARG A 43 -1.197 2.651 9.618 1.00 42.35 H new ATOM 0 HD3 ARG A 43 0.355 2.016 9.109 1.00 42.35 H new ATOM 0 HE ARG A 43 1.369 3.708 10.311 1.00 51.15 H new ATOM 0 HH11 ARG A 43 -1.857 4.744 9.319 1.00 62.12 H new ATOM 0 HH12 ARG A 43 -1.743 6.295 10.156 1.00 62.12 H new ATOM 0 HH21 ARG A 43 1.507 5.703 11.384 1.00 53.23 H new ATOM 0 HH22 ARG A 43 0.154 6.836 11.320 1.00 53.23 H new ATOM 723 N VAL A 44 -0.020 2.545 4.334 1.00 30.13 N ATOM 724 CA VAL A 44 1.114 1.816 3.779 1.00 33.45 C ATOM 725 C VAL A 44 2.427 2.528 4.083 1.00 64.24 C ATOM 726 O VAL A 44 2.434 3.653 4.585 1.00 24.44 O ATOM 727 CB VAL A 44 0.976 1.641 2.256 1.00 1.52 C ATOM 728 CG1 VAL A 44 -0.306 0.897 1.916 1.00 71.34 C ATOM 729 CG2 VAL A 44 1.020 2.992 1.559 1.00 43.01 C ATOM 0 H VAL A 44 -0.128 3.494 3.975 1.00 30.13 H new ATOM 0 HA VAL A 44 1.121 0.833 4.250 1.00 33.45 H new ATOM 0 HB VAL A 44 1.817 1.046 1.899 1.00 1.52 H new ATOM 0 HG11 VAL A 44 -0.385 0.783 0.835 1.00 71.34 H new ATOM 0 HG12 VAL A 44 -0.291 -0.087 2.384 1.00 71.34 H new ATOM 0 HG13 VAL A 44 -1.163 1.461 2.285 1.00 71.34 H new ATOM 0 HG21 VAL A 44 0.921 2.850 0.483 1.00 43.01 H new ATOM 0 HG22 VAL A 44 0.201 3.614 1.919 1.00 43.01 H new ATOM 0 HG23 VAL A 44 1.970 3.482 1.774 1.00 43.01 H new ATOM 739 N ARG A 45 3.537 1.867 3.774 1.00 51.04 N ATOM 740 CA ARG A 45 4.858 2.437 4.013 1.00 74.41 C ATOM 741 C ARG A 45 5.607 2.644 2.701 1.00 60.43 C ATOM 742 O ARG A 45 5.335 1.972 1.707 1.00 52.04 O ATOM 743 CB ARG A 45 5.668 1.528 4.938 1.00 14.41 C ATOM 744 CG ARG A 45 6.828 2.233 5.623 1.00 41.22 C ATOM 745 CD ARG A 45 7.868 1.242 6.120 1.00 4.21 C ATOM 746 NE ARG A 45 9.144 1.392 5.423 1.00 62.42 N ATOM 747 CZ ARG A 45 10.286 0.876 5.862 1.00 72.54 C ATOM 748 NH1 ARG A 45 10.312 0.180 6.990 1.00 44.44 N ATOM 749 NH2 ARG A 45 11.406 1.056 5.173 1.00 61.42 N ATOM 0 H ARG A 45 3.549 0.936 3.357 1.00 51.04 H new ATOM 0 HA ARG A 45 4.726 3.407 4.492 1.00 74.41 H new ATOM 0 HB2 ARG A 45 5.005 1.114 5.698 1.00 14.41 H new ATOM 0 HB3 ARG A 45 6.054 0.688 4.361 1.00 14.41 H new ATOM 0 HG2 ARG A 45 7.293 2.931 4.927 1.00 41.22 H new ATOM 0 HG3 ARG A 45 6.454 2.820 6.461 1.00 41.22 H new ATOM 0 HD2 ARG A 45 8.021 1.383 7.190 1.00 4.21 H new ATOM 0 HD3 ARG A 45 7.497 0.227 5.982 1.00 4.21 H new ATOM 0 HE ARG A 45 9.158 1.922 4.552 1.00 62.42 H new ATOM 0 HH11 ARG A 45 9.454 0.040 7.523 1.00 44.44 H new ATOM 0 HH12 ARG A 45 11.190 -0.215 7.325 1.00 44.44 H new ATOM 0 HH21 ARG A 45 11.390 1.591 4.305 1.00 61.42 H new ATOM 0 HH22 ARG A 45 12.282 0.659 5.512 1.00 61.42 H new ATOM 763 N ASN A 46 6.551 3.580 2.706 1.00 41.12 N ATOM 764 CA ASN A 46 7.339 3.876 1.515 1.00 70.23 C ATOM 765 C ASN A 46 8.819 3.597 1.758 1.00 14.32 C ATOM 766 O ASN A 46 9.273 3.553 2.901 1.00 11.11 O ATOM 767 CB ASN A 46 7.146 5.337 1.100 1.00 33.22 C ATOM 768 CG ASN A 46 7.598 5.598 -0.323 1.00 72.52 C ATOM 769 OD1 ASN A 46 8.788 5.769 -0.587 1.00 54.51 O ATOM 770 ND2 ASN A 46 6.646 5.632 -1.249 1.00 53.20 N ATOM 0 H ASN A 46 6.789 4.146 3.521 1.00 41.12 H new ATOM 0 HA ASN A 46 6.992 3.227 0.711 1.00 70.23 H new ATOM 0 HB2 ASN A 46 6.094 5.604 1.199 1.00 33.22 H new ATOM 0 HB3 ASN A 46 7.704 5.982 1.779 1.00 33.22 H new ATOM 0 HD21 ASN A 46 6.889 5.805 -2.224 1.00 53.20 H new ATOM 0 HD22 ASN A 46 5.672 5.485 -0.985 1.00 53.20 H new ATOM 777 N SER A 47 9.566 3.411 0.675 1.00 23.22 N ATOM 778 CA SER A 47 10.995 3.132 0.770 1.00 22.42 C ATOM 779 C SER A 47 11.704 4.207 1.589 1.00 21.21 C ATOM 780 O SER A 47 12.767 3.966 2.158 1.00 53.45 O ATOM 781 CB SER A 47 11.614 3.047 -0.626 1.00 20.41 C ATOM 782 OG SER A 47 11.736 4.333 -1.209 1.00 33.30 O ATOM 0 H SER A 47 9.206 3.448 -0.279 1.00 23.22 H new ATOM 0 HA SER A 47 11.121 2.173 1.273 1.00 22.42 H new ATOM 0 HB2 SER A 47 12.596 2.578 -0.564 1.00 20.41 H new ATOM 0 HB3 SER A 47 10.997 2.413 -1.263 1.00 20.41 H new ATOM 0 HG SER A 47 10.910 4.839 -1.061 1.00 33.30 H new ATOM 788 N MET A 48 11.106 5.393 1.642 1.00 22.24 N ATOM 789 CA MET A 48 11.678 6.504 2.390 1.00 14.53 C ATOM 790 C MET A 48 11.368 6.375 3.879 1.00 3.40 C ATOM 791 O MET A 48 11.608 7.299 4.655 1.00 4.13 O ATOM 792 CB MET A 48 11.143 7.835 1.860 1.00 63.00 C ATOM 793 CG MET A 48 11.739 8.240 0.521 1.00 31.03 C ATOM 794 SD MET A 48 12.661 9.786 0.611 1.00 55.44 S ATOM 795 CE MET A 48 14.000 9.319 1.707 1.00 61.13 C ATOM 0 H MET A 48 10.225 5.608 1.175 1.00 22.24 H new ATOM 0 HA MET A 48 12.760 6.478 2.258 1.00 14.53 H new ATOM 0 HB2 MET A 48 10.060 7.768 1.761 1.00 63.00 H new ATOM 0 HB3 MET A 48 11.348 8.617 2.591 1.00 63.00 H new ATOM 0 HG2 MET A 48 12.399 7.448 0.167 1.00 31.03 H new ATOM 0 HG3 MET A 48 10.939 8.341 -0.213 1.00 31.03 H new ATOM 0 HE1 MET A 48 14.751 10.109 1.721 1.00 61.13 H new ATOM 0 HE2 MET A 48 13.611 9.170 2.714 1.00 61.13 H new ATOM 0 HE3 MET A 48 14.454 8.393 1.353 1.00 61.13 H new ATOM 805 N ASN A 49 10.832 5.223 4.268 1.00 54.40 N ATOM 806 CA ASN A 49 10.488 4.973 5.664 1.00 33.41 C ATOM 807 C ASN A 49 9.221 5.728 6.054 1.00 35.11 C ATOM 808 O ASN A 49 8.704 5.566 7.160 1.00 74.05 O ATOM 809 CB ASN A 49 11.644 5.388 6.578 1.00 25.43 C ATOM 810 CG ASN A 49 11.237 6.452 7.578 1.00 71.42 C ATOM 811 OD1 ASN A 49 11.395 6.278 8.786 1.00 25.43 O ATOM 812 ND2 ASN A 49 10.708 7.563 7.077 1.00 14.22 N ATOM 0 H ASN A 49 10.626 4.448 3.637 1.00 54.40 H new ATOM 0 HA ASN A 49 10.305 3.905 5.782 1.00 33.41 H new ATOM 0 HB2 ASN A 49 12.013 4.513 7.113 1.00 25.43 H new ATOM 0 HB3 ASN A 49 12.468 5.761 5.970 1.00 25.43 H new ATOM 0 HD21 ASN A 49 10.414 8.314 7.701 1.00 14.22 H new ATOM 0 HD22 ASN A 49 10.596 7.665 6.068 1.00 14.22 H new ATOM 819 N LYS A 50 8.723 6.552 5.139 1.00 60.13 N ATOM 820 CA LYS A 50 7.516 7.330 5.385 1.00 71.33 C ATOM 821 C LYS A 50 6.274 6.447 5.310 1.00 31.33 C ATOM 822 O LYS A 50 6.189 5.546 4.474 1.00 61.35 O ATOM 823 CB LYS A 50 7.404 8.472 4.371 1.00 3.24 C ATOM 824 CG LYS A 50 8.675 9.291 4.235 1.00 32.30 C ATOM 825 CD LYS A 50 8.803 9.898 2.848 1.00 31.52 C ATOM 826 CE LYS A 50 8.272 11.323 2.811 1.00 13.21 C ATOM 827 NZ LYS A 50 7.834 11.716 1.444 1.00 30.33 N ATOM 0 H LYS A 50 9.138 6.698 4.219 1.00 60.13 H new ATOM 0 HA LYS A 50 7.583 7.749 6.389 1.00 71.33 H new ATOM 0 HB2 LYS A 50 7.143 8.058 3.397 1.00 3.24 H new ATOM 0 HB3 LYS A 50 6.587 9.131 4.667 1.00 3.24 H new ATOM 0 HG2 LYS A 50 8.679 10.085 4.982 1.00 32.30 H new ATOM 0 HG3 LYS A 50 9.539 8.659 4.437 1.00 32.30 H new ATOM 0 HD2 LYS A 50 9.849 9.891 2.542 1.00 31.52 H new ATOM 0 HD3 LYS A 50 8.256 9.286 2.130 1.00 31.52 H new ATOM 0 HE2 LYS A 50 7.434 11.416 3.502 1.00 13.21 H new ATOM 0 HE3 LYS A 50 9.047 12.008 3.155 1.00 13.21 H new ATOM 0 HZ1 LYS A 50 7.479 12.693 1.461 1.00 30.33 H new ATOM 0 HZ2 LYS A 50 8.640 11.652 0.789 1.00 30.33 H new ATOM 0 HZ3 LYS A 50 7.077 11.078 1.125 1.00 30.33 H new ATOM 841 N THR A 51 5.312 6.711 6.188 1.00 35.34 N ATOM 842 CA THR A 51 4.075 5.940 6.222 1.00 2.22 C ATOM 843 C THR A 51 2.862 6.854 6.351 1.00 24.13 C ATOM 844 O THR A 51 2.735 7.602 7.318 1.00 55.52 O ATOM 845 CB THR A 51 4.072 4.934 7.388 1.00 33.14 C ATOM 846 OG1 THR A 51 5.394 4.424 7.600 1.00 71.41 O ATOM 847 CG2 THR A 51 3.118 3.783 7.108 1.00 44.01 C ATOM 0 H THR A 51 5.365 7.453 6.886 1.00 35.34 H new ATOM 0 HA THR A 51 4.017 5.393 5.281 1.00 2.22 H new ATOM 0 HB THR A 51 3.736 5.454 8.285 1.00 33.14 H new ATOM 0 HG1 THR A 51 5.383 3.786 8.344 1.00 71.41 H new ATOM 0 HG21 THR A 51 3.133 3.086 7.946 1.00 44.01 H new ATOM 0 HG22 THR A 51 2.108 4.171 6.977 1.00 44.01 H new ATOM 0 HG23 THR A 51 3.428 3.266 6.200 1.00 44.01 H new ATOM 855 N GLY A 52 1.969 6.786 5.367 1.00 11.21 N ATOM 856 CA GLY A 52 0.777 7.612 5.390 1.00 61.33 C ATOM 857 C GLY A 52 -0.463 6.853 4.959 1.00 15.41 C ATOM 858 O GLY A 52 -0.368 5.764 4.392 1.00 50.13 O ATOM 0 H GLY A 52 2.051 6.174 4.555 1.00 11.21 H new ATOM 0 HA2 GLY A 52 0.629 8.002 6.397 1.00 61.33 H new ATOM 0 HA3 GLY A 52 0.921 8.470 4.733 1.00 61.33 H new ATOM 862 N PHE A 53 -1.630 7.426 5.232 1.00 34.42 N ATOM 863 CA PHE A 53 -2.895 6.795 4.872 1.00 1.31 C ATOM 864 C PHE A 53 -3.227 7.041 3.404 1.00 71.02 C ATOM 865 O PHE A 53 -3.262 8.183 2.946 1.00 54.21 O ATOM 866 CB PHE A 53 -4.024 7.325 5.759 1.00 65.41 C ATOM 867 CG PHE A 53 -4.269 6.488 6.982 1.00 53.04 C ATOM 868 CD1 PHE A 53 -4.651 5.162 6.866 1.00 60.41 C ATOM 869 CD2 PHE A 53 -4.116 7.030 8.248 1.00 34.23 C ATOM 870 CE1 PHE A 53 -4.876 4.390 7.990 1.00 22.41 C ATOM 871 CE2 PHE A 53 -4.340 6.263 9.375 1.00 14.24 C ATOM 872 CZ PHE A 53 -4.721 4.942 9.247 1.00 25.41 C ATOM 0 H PHE A 53 -1.727 8.326 5.701 1.00 34.42 H new ATOM 0 HA PHE A 53 -2.794 5.721 5.028 1.00 1.31 H new ATOM 0 HB2 PHE A 53 -3.786 8.343 6.067 1.00 65.41 H new ATOM 0 HB3 PHE A 53 -4.942 7.376 5.173 1.00 65.41 H new ATOM 0 HD1 PHE A 53 -4.775 4.726 5.886 1.00 60.41 H new ATOM 0 HD2 PHE A 53 -3.819 8.063 8.355 1.00 34.23 H new ATOM 0 HE1 PHE A 53 -5.173 3.357 7.886 1.00 22.41 H new ATOM 0 HE2 PHE A 53 -4.217 6.697 10.356 1.00 14.24 H new ATOM 0 HZ PHE A 53 -4.897 4.342 10.127 1.00 25.41 H new ATOM 882 N VAL A 54 -3.471 5.961 2.669 1.00 10.41 N ATOM 883 CA VAL A 54 -3.801 6.058 1.252 1.00 40.42 C ATOM 884 C VAL A 54 -4.979 5.158 0.900 1.00 21.42 C ATOM 885 O VAL A 54 -5.211 4.123 1.524 1.00 54.00 O ATOM 886 CB VAL A 54 -2.597 5.679 0.368 1.00 74.21 C ATOM 887 CG1 VAL A 54 -1.369 6.483 0.765 1.00 71.33 C ATOM 888 CG2 VAL A 54 -2.319 4.186 0.459 1.00 25.51 C ATOM 0 H VAL A 54 -3.446 5.008 3.032 1.00 10.41 H new ATOM 0 HA VAL A 54 -4.071 7.096 1.060 1.00 40.42 H new ATOM 0 HB VAL A 54 -2.839 5.918 -0.668 1.00 74.21 H new ATOM 0 HG11 VAL A 54 -0.529 6.202 0.130 1.00 71.33 H new ATOM 0 HG12 VAL A 54 -1.575 7.546 0.644 1.00 71.33 H new ATOM 0 HG13 VAL A 54 -1.121 6.278 1.806 1.00 71.33 H new ATOM 0 HG21 VAL A 54 -1.466 3.936 -0.171 1.00 25.51 H new ATOM 0 HG22 VAL A 54 -2.097 3.920 1.492 1.00 25.51 H new ATOM 0 HG23 VAL A 54 -3.195 3.632 0.121 1.00 25.51 H new ATOM 898 N PRO A 55 -5.744 5.559 -0.127 1.00 62.11 N ATOM 899 CA PRO A 55 -6.912 4.802 -0.588 1.00 31.02 C ATOM 900 C PRO A 55 -6.524 3.490 -1.261 1.00 64.45 C ATOM 901 O PRO A 55 -5.417 3.353 -1.782 1.00 0.42 O ATOM 902 CB PRO A 55 -7.572 5.747 -1.595 1.00 3.10 C ATOM 903 CG PRO A 55 -6.463 6.616 -2.082 1.00 20.34 C ATOM 904 CD PRO A 55 -5.526 6.782 -0.918 1.00 63.21 C ATOM 0 HA PRO A 55 -7.564 4.515 0.237 1.00 31.02 H new ATOM 0 HB2 PRO A 55 -8.031 5.194 -2.415 1.00 3.10 H new ATOM 0 HB3 PRO A 55 -8.361 6.336 -1.127 1.00 3.10 H new ATOM 0 HG2 PRO A 55 -5.954 6.160 -2.931 1.00 20.34 H new ATOM 0 HG3 PRO A 55 -6.842 7.581 -2.419 1.00 20.34 H new ATOM 0 HD2 PRO A 55 -4.490 6.869 -1.245 1.00 63.21 H new ATOM 0 HD3 PRO A 55 -5.755 7.679 -0.343 1.00 63.21 H new ATOM 912 N SER A 56 -7.442 2.530 -1.248 1.00 25.02 N ATOM 913 CA SER A 56 -7.194 1.227 -1.856 1.00 34.22 C ATOM 914 C SER A 56 -7.579 1.234 -3.332 1.00 41.44 C ATOM 915 O SER A 56 -8.018 0.221 -3.875 1.00 62.05 O ATOM 916 CB SER A 56 -7.978 0.139 -1.118 1.00 52.14 C ATOM 917 OG SER A 56 -9.355 0.189 -1.450 1.00 63.31 O ATOM 0 H SER A 56 -8.364 2.629 -0.824 1.00 25.02 H new ATOM 0 HA SER A 56 -6.128 1.014 -1.778 1.00 34.22 H new ATOM 0 HB2 SER A 56 -7.574 -0.841 -1.373 1.00 52.14 H new ATOM 0 HB3 SER A 56 -7.855 0.264 -0.042 1.00 52.14 H new ATOM 0 HG SER A 56 -9.834 -0.517 -0.967 1.00 63.31 H new ATOM 923 N ASN A 57 -7.409 2.385 -3.976 1.00 13.53 N ATOM 924 CA ASN A 57 -7.738 2.525 -5.389 1.00 41.15 C ATOM 925 C ASN A 57 -6.473 2.561 -6.241 1.00 10.22 C ATOM 926 O ASN A 57 -6.465 2.090 -7.379 1.00 1.41 O ATOM 927 CB ASN A 57 -8.557 3.797 -5.619 1.00 43.31 C ATOM 928 CG ASN A 57 -9.574 3.636 -6.733 1.00 20.12 C ATOM 929 OD1 ASN A 57 -10.524 2.862 -6.613 1.00 24.13 O ATOM 930 ND2 ASN A 57 -9.379 4.368 -7.823 1.00 61.13 N ATOM 0 H ASN A 57 -7.046 3.233 -3.541 1.00 13.53 H new ATOM 0 HA ASN A 57 -8.331 1.660 -5.686 1.00 41.15 H new ATOM 0 HB2 ASN A 57 -9.072 4.066 -4.697 1.00 43.31 H new ATOM 0 HB3 ASN A 57 -7.885 4.620 -5.861 1.00 43.31 H new ATOM 0 HD21 ASN A 57 -10.031 4.302 -8.605 1.00 61.13 H new ATOM 0 HD22 ASN A 57 -8.578 4.996 -7.879 1.00 61.13 H new ATOM 937 N TYR A 58 -5.406 3.121 -5.683 1.00 72.13 N ATOM 938 CA TYR A 58 -4.135 3.219 -6.391 1.00 60.23 C ATOM 939 C TYR A 58 -3.222 2.049 -6.038 1.00 63.03 C ATOM 940 O TYR A 58 -2.389 1.633 -6.843 1.00 2.11 O ATOM 941 CB TYR A 58 -3.442 4.541 -6.056 1.00 71.04 C ATOM 942 CG TYR A 58 -4.268 5.762 -6.394 1.00 24.24 C ATOM 943 CD1 TYR A 58 -5.405 6.080 -5.662 1.00 1.03 C ATOM 944 CD2 TYR A 58 -3.911 6.597 -7.446 1.00 12.05 C ATOM 945 CE1 TYR A 58 -6.163 7.193 -5.968 1.00 60.02 C ATOM 946 CE2 TYR A 58 -4.662 7.714 -7.758 1.00 21.45 C ATOM 947 CZ TYR A 58 -5.787 8.007 -7.016 1.00 24.31 C ATOM 948 OH TYR A 58 -6.539 9.118 -7.324 1.00 15.23 O ATOM 0 H TYR A 58 -5.396 3.514 -4.742 1.00 72.13 H new ATOM 0 HA TYR A 58 -4.341 3.185 -7.461 1.00 60.23 H new ATOM 0 HB2 TYR A 58 -3.204 4.557 -4.992 1.00 71.04 H new ATOM 0 HB3 TYR A 58 -2.496 4.592 -6.595 1.00 71.04 H new ATOM 0 HD1 TYR A 58 -5.701 5.446 -4.839 1.00 1.03 H new ATOM 0 HD2 TYR A 58 -3.031 6.369 -8.030 1.00 12.05 H new ATOM 0 HE1 TYR A 58 -7.045 7.425 -5.390 1.00 60.02 H new ATOM 0 HE2 TYR A 58 -4.370 8.354 -8.578 1.00 21.45 H new ATOM 0 HH TYR A 58 -6.137 9.584 -8.087 1.00 15.23 H new ATOM 958 N VAL A 59 -3.387 1.523 -4.829 1.00 22.20 N ATOM 959 CA VAL A 59 -2.579 0.399 -4.369 1.00 32.42 C ATOM 960 C VAL A 59 -3.425 -0.862 -4.222 1.00 72.44 C ATOM 961 O VAL A 59 -4.653 -0.794 -4.168 1.00 41.43 O ATOM 962 CB VAL A 59 -1.903 0.710 -3.020 1.00 33.45 C ATOM 963 CG1 VAL A 59 -1.099 1.998 -3.110 1.00 0.40 C ATOM 964 CG2 VAL A 59 -2.942 0.796 -1.911 1.00 50.23 C ATOM 0 H VAL A 59 -4.072 1.856 -4.151 1.00 22.20 H new ATOM 0 HA VAL A 59 -1.810 0.232 -5.123 1.00 32.42 H new ATOM 0 HB VAL A 59 -1.217 -0.102 -2.781 1.00 33.45 H new ATOM 0 HG11 VAL A 59 -0.629 2.201 -2.148 1.00 0.40 H new ATOM 0 HG12 VAL A 59 -0.330 1.894 -3.875 1.00 0.40 H new ATOM 0 HG13 VAL A 59 -1.762 2.823 -3.372 1.00 0.40 H new ATOM 0 HG21 VAL A 59 -2.447 1.016 -0.965 1.00 50.23 H new ATOM 0 HG22 VAL A 59 -3.655 1.588 -2.141 1.00 50.23 H new ATOM 0 HG23 VAL A 59 -3.469 -0.155 -1.832 1.00 50.23 H new ATOM 974 N GLU A 60 -2.759 -2.009 -4.159 1.00 34.15 N ATOM 975 CA GLU A 60 -3.449 -3.286 -4.019 1.00 30.54 C ATOM 976 C GLU A 60 -2.483 -4.383 -3.583 1.00 65.51 C ATOM 977 O GLU A 60 -1.327 -4.411 -4.006 1.00 42.11 O ATOM 978 CB GLU A 60 -4.120 -3.676 -5.338 1.00 43.34 C ATOM 979 CG GLU A 60 -5.339 -4.565 -5.163 1.00 40.12 C ATOM 980 CD GLU A 60 -6.607 -3.929 -5.699 1.00 14.13 C ATOM 981 OE1 GLU A 60 -7.235 -3.143 -4.958 1.00 51.41 O ATOM 982 OE2 GLU A 60 -6.973 -4.217 -6.857 1.00 42.12 O ATOM 0 H GLU A 60 -1.742 -2.081 -4.203 1.00 34.15 H new ATOM 0 HA GLU A 60 -4.213 -3.174 -3.250 1.00 30.54 H new ATOM 0 HB2 GLU A 60 -4.415 -2.770 -5.867 1.00 43.34 H new ATOM 0 HB3 GLU A 60 -3.393 -4.190 -5.967 1.00 43.34 H new ATOM 0 HG2 GLU A 60 -5.169 -5.513 -5.673 1.00 40.12 H new ATOM 0 HG3 GLU A 60 -5.470 -4.792 -4.105 1.00 40.12 H new ATOM 990 N ARG A 61 -2.966 -5.286 -2.735 1.00 3.22 N ATOM 991 CA ARG A 61 -2.144 -6.384 -2.241 1.00 34.14 C ATOM 992 C ARG A 61 -1.563 -7.193 -3.398 1.00 33.21 C ATOM 993 O ARG A 61 -2.217 -7.388 -4.423 1.00 11.45 O ATOM 994 CB ARG A 61 -2.970 -7.296 -1.331 1.00 14.41 C ATOM 995 CG ARG A 61 -4.277 -7.757 -1.954 1.00 1.01 C ATOM 996 CD ARG A 61 -5.303 -8.119 -0.892 1.00 64.11 C ATOM 997 NE ARG A 61 -6.522 -7.324 -1.014 1.00 2.33 N ATOM 998 CZ ARG A 61 -7.705 -7.718 -0.557 1.00 20.32 C ATOM 999 NH1 ARG A 61 -7.829 -8.890 0.050 1.00 4.21 N ATOM 1000 NH2 ARG A 61 -8.769 -6.938 -0.706 1.00 43.43 N ATOM 0 H ARG A 61 -3.921 -5.279 -2.376 1.00 3.22 H new ATOM 0 HA ARG A 61 -1.320 -5.959 -1.668 1.00 34.14 H new ATOM 0 HB2 ARG A 61 -2.374 -8.170 -1.070 1.00 14.41 H new ATOM 0 HB3 ARG A 61 -3.186 -6.768 -0.402 1.00 14.41 H new ATOM 0 HG2 ARG A 61 -4.675 -6.968 -2.592 1.00 1.01 H new ATOM 0 HG3 ARG A 61 -4.092 -8.621 -2.592 1.00 1.01 H new ATOM 0 HD2 ARG A 61 -5.551 -9.177 -0.974 1.00 64.11 H new ATOM 0 HD3 ARG A 61 -4.870 -7.968 0.097 1.00 64.11 H new ATOM 0 HE ARG A 61 -6.461 -6.416 -1.476 1.00 2.33 H new ATOM 0 HH11 ARG A 61 -7.014 -9.492 0.167 1.00 4.21 H new ATOM 0 HH12 ARG A 61 -8.739 -9.189 0.400 1.00 4.21 H new ATOM 0 HH21 ARG A 61 -8.678 -6.035 -1.172 1.00 43.43 H new ATOM 0 HH22 ARG A 61 -9.677 -7.242 -0.355 1.00 43.43 H new ATOM 1014 N LYS A 62 -0.331 -7.660 -3.226 1.00 34.44 N ATOM 1015 CA LYS A 62 0.338 -8.448 -4.254 1.00 13.25 C ATOM 1016 C LYS A 62 -0.523 -9.632 -4.680 1.00 62.40 C ATOM 1017 O LYS A 62 -1.053 -10.359 -3.842 1.00 32.24 O ATOM 1018 CB LYS A 62 1.691 -8.947 -3.741 1.00 43.14 C ATOM 1019 CG LYS A 62 2.745 -9.074 -4.829 1.00 32.44 C ATOM 1020 CD LYS A 62 3.283 -7.716 -5.245 1.00 72.02 C ATOM 1021 CE LYS A 62 4.562 -7.848 -6.057 1.00 14.33 C ATOM 1022 NZ LYS A 62 4.329 -8.548 -7.350 1.00 5.42 N ATOM 0 H LYS A 62 0.224 -7.506 -2.384 1.00 34.44 H new ATOM 0 HA LYS A 62 0.497 -7.807 -5.121 1.00 13.25 H new ATOM 0 HB2 LYS A 62 2.054 -8.263 -2.973 1.00 43.14 H new ATOM 0 HB3 LYS A 62 1.554 -9.918 -3.264 1.00 43.14 H new ATOM 0 HG2 LYS A 62 3.565 -9.697 -4.472 1.00 32.44 H new ATOM 0 HG3 LYS A 62 2.316 -9.577 -5.695 1.00 32.44 H new ATOM 0 HD2 LYS A 62 2.531 -7.190 -5.832 1.00 72.02 H new ATOM 0 HD3 LYS A 62 3.475 -7.112 -4.358 1.00 72.02 H new ATOM 0 HE2 LYS A 62 4.974 -6.857 -6.250 1.00 14.33 H new ATOM 0 HE3 LYS A 62 5.305 -8.395 -5.477 1.00 14.33 H new ATOM 0 HZ1 LYS A 62 5.225 -8.618 -7.873 1.00 5.42 H new ATOM 0 HZ2 LYS A 62 3.960 -9.503 -7.166 1.00 5.42 H new ATOM 0 HZ3 LYS A 62 3.639 -8.013 -7.915 1.00 5.42 H new ATOM 1036 N ASN A 63 -0.658 -9.819 -5.989 1.00 23.42 N ATOM 1037 CA ASN A 63 -1.455 -10.916 -6.526 1.00 42.24 C ATOM 1038 C ASN A 63 -0.559 -12.015 -7.089 1.00 45.12 C ATOM 1039 O ASN A 63 -0.908 -12.673 -8.069 1.00 33.42 O ATOM 1040 CB ASN A 63 -2.398 -10.403 -7.615 1.00 65.03 C ATOM 1041 CG ASN A 63 -3.762 -10.024 -7.071 1.00 14.24 C ATOM 1042 OD1 ASN A 63 -4.186 -8.873 -7.172 1.00 51.32 O ATOM 1043 ND2 ASN A 63 -4.455 -10.995 -6.486 1.00 54.02 N ATOM 0 H ASN A 63 -0.226 -9.225 -6.697 1.00 23.42 H new ATOM 0 HA ASN A 63 -2.046 -11.336 -5.712 1.00 42.24 H new ATOM 0 HB2 ASN A 63 -1.950 -9.536 -8.100 1.00 65.03 H new ATOM 0 HB3 ASN A 63 -2.516 -11.170 -8.380 1.00 65.03 H new ATOM 0 HD21 ASN A 63 -5.378 -10.800 -6.098 1.00 54.02 H new ATOM 0 HD22 ASN A 63 -4.064 -11.935 -6.425 1.00 54.02 H new ATOM 1050 N SER A 64 0.597 -12.207 -6.463 1.00 2.33 N ATOM 1051 CA SER A 64 1.545 -13.223 -6.903 1.00 4.43 C ATOM 1052 C SER A 64 1.235 -14.571 -6.258 1.00 1.13 C ATOM 1053 O SER A 64 1.817 -14.931 -5.235 1.00 40.23 O ATOM 1054 CB SER A 64 2.976 -12.799 -6.562 1.00 21.40 C ATOM 1055 OG SER A 64 3.148 -12.667 -5.162 1.00 40.23 O ATOM 0 H SER A 64 0.900 -11.672 -5.649 1.00 2.33 H new ATOM 0 HA SER A 64 1.452 -13.327 -7.984 1.00 4.43 H new ATOM 0 HB2 SER A 64 3.679 -13.536 -6.950 1.00 21.40 H new ATOM 0 HB3 SER A 64 3.204 -11.852 -7.051 1.00 21.40 H new ATOM 0 HG SER A 64 2.717 -13.420 -4.707 1.00 40.23 H new ATOM 1061 N ALA A 65 0.315 -15.313 -6.866 1.00 35.32 N ATOM 1062 CA ALA A 65 -0.072 -16.621 -6.353 1.00 25.44 C ATOM 1063 C ALA A 65 0.322 -17.729 -7.323 1.00 64.51 C ATOM 1064 O ALA A 65 1.233 -17.562 -8.134 1.00 22.32 O ATOM 1065 CB ALA A 65 -1.569 -16.661 -6.082 1.00 64.43 C ATOM 0 H ALA A 65 -0.176 -15.030 -7.714 1.00 35.32 H new ATOM 0 HA ALA A 65 0.459 -16.788 -5.416 1.00 25.44 H new ATOM 0 HB1 ALA A 65 -1.843 -17.644 -5.699 1.00 64.43 H new ATOM 0 HB2 ALA A 65 -1.826 -15.900 -5.345 1.00 64.43 H new ATOM 0 HB3 ALA A 65 -2.112 -16.468 -7.007 1.00 64.43 H new ATOM 1071 N ARG A 66 -0.370 -18.860 -7.235 1.00 24.14 N ATOM 1072 CA ARG A 66 -0.091 -19.997 -8.106 1.00 15.02 C ATOM 1073 C ARG A 66 -0.055 -19.565 -9.568 1.00 23.20 C ATOM 1074 O ARG A 66 -0.845 -18.724 -9.997 1.00 44.33 O ATOM 1075 CB ARG A 66 -1.146 -21.087 -7.910 1.00 32.24 C ATOM 1076 CG ARG A 66 -0.570 -22.493 -7.873 1.00 73.24 C ATOM 1077 CD ARG A 66 -1.668 -23.545 -7.860 1.00 3.13 C ATOM 1078 NE ARG A 66 -1.138 -24.886 -7.626 1.00 22.32 N ATOM 1079 CZ ARG A 66 -0.664 -25.295 -6.454 1.00 43.43 C ATOM 1080 NH1 ARG A 66 -0.654 -24.471 -5.416 1.00 3.20 N ATOM 1081 NH2 ARG A 66 -0.199 -26.530 -6.320 1.00 62.30 N ATOM 0 H ARG A 66 -1.128 -19.014 -6.570 1.00 24.14 H new ATOM 0 HA ARG A 66 0.888 -20.396 -7.839 1.00 15.02 H new ATOM 0 HB2 ARG A 66 -1.682 -20.899 -6.980 1.00 32.24 H new ATOM 0 HB3 ARG A 66 -1.876 -21.024 -8.717 1.00 32.24 H new ATOM 0 HG2 ARG A 66 0.073 -22.647 -8.740 1.00 73.24 H new ATOM 0 HG3 ARG A 66 0.056 -22.608 -6.988 1.00 73.24 H new ATOM 0 HD2 ARG A 66 -2.394 -23.302 -7.084 1.00 3.13 H new ATOM 0 HD3 ARG A 66 -2.200 -23.526 -8.811 1.00 3.13 H new ATOM 0 HE ARG A 66 -1.131 -25.544 -8.405 1.00 22.32 H new ATOM 0 HH11 ARG A 66 -1.011 -23.521 -5.516 1.00 3.20 H new ATOM 0 HH12 ARG A 66 -0.290 -24.787 -4.517 1.00 3.20 H new ATOM 0 HH21 ARG A 66 -0.205 -27.167 -7.117 1.00 62.30 H new ATOM 0 HH22 ARG A 66 0.165 -26.843 -5.420 1.00 62.30 H new ATOM 1095 N ALA A 67 0.866 -20.147 -10.329 1.00 14.42 N ATOM 1096 CA ALA A 67 1.004 -19.824 -11.744 1.00 0.33 C ATOM 1097 C ALA A 67 -0.324 -19.983 -12.475 1.00 72.04 C ATOM 1098 O ALA A 67 -0.778 -19.068 -13.163 1.00 34.24 O ATOM 1099 CB ALA A 67 2.069 -20.703 -12.384 1.00 51.33 C ATOM 0 H ALA A 67 1.528 -20.845 -9.989 1.00 14.42 H new ATOM 0 HA ALA A 67 1.311 -18.781 -11.825 1.00 0.33 H new ATOM 0 HB1 ALA A 67 2.162 -20.451 -13.440 1.00 51.33 H new ATOM 0 HB2 ALA A 67 3.025 -20.538 -11.886 1.00 51.33 H new ATOM 0 HB3 ALA A 67 1.784 -21.750 -12.284 1.00 51.33 H new ATOM 1105 N ALA A 68 -0.943 -21.149 -12.323 1.00 54.23 N ATOM 1106 CA ALA A 68 -2.220 -21.425 -12.968 1.00 21.14 C ATOM 1107 C ALA A 68 -3.286 -20.429 -12.526 1.00 52.02 C ATOM 1108 O ALA A 68 -3.931 -19.788 -13.354 1.00 64.41 O ATOM 1109 CB ALA A 68 -2.667 -22.848 -12.665 1.00 23.05 C ATOM 0 H ALA A 68 -0.581 -21.917 -11.759 1.00 54.23 H new ATOM 0 HA ALA A 68 -2.085 -21.319 -14.044 1.00 21.14 H new ATOM 0 HB1 ALA A 68 -3.622 -23.041 -13.153 1.00 23.05 H new ATOM 0 HB2 ALA A 68 -1.921 -23.551 -13.037 1.00 23.05 H new ATOM 0 HB3 ALA A 68 -2.778 -22.973 -11.588 1.00 23.05 H new ATOM 1115 N ALA A 69 -3.466 -20.303 -11.215 1.00 10.34 N ATOM 1116 CA ALA A 69 -4.453 -19.383 -10.663 1.00 4.33 C ATOM 1117 C ALA A 69 -4.129 -17.941 -11.040 1.00 1.11 C ATOM 1118 O ALA A 69 -2.965 -17.551 -11.094 1.00 55.33 O ATOM 1119 CB ALA A 69 -4.526 -19.533 -9.151 1.00 51.13 C ATOM 0 H ALA A 69 -2.941 -20.827 -10.515 1.00 10.34 H new ATOM 0 HA ALA A 69 -5.425 -19.632 -11.088 1.00 4.33 H new ATOM 0 HB1 ALA A 69 -5.267 -18.840 -8.752 1.00 51.13 H new ATOM 0 HB2 ALA A 69 -4.812 -20.554 -8.900 1.00 51.13 H new ATOM 0 HB3 ALA A 69 -3.551 -19.312 -8.716 1.00 51.13 H new ATOM 1125 N ASN A 70 -5.169 -17.156 -11.300 1.00 61.55 N ATOM 1126 CA ASN A 70 -4.995 -15.757 -11.673 1.00 51.32 C ATOM 1127 C ASN A 70 -4.178 -15.633 -12.956 1.00 1.30 C ATOM 1128 O ASN A 70 -3.018 -16.043 -13.007 1.00 3.04 O ATOM 1129 CB ASN A 70 -4.309 -14.987 -10.543 1.00 14.24 C ATOM 1130 CG ASN A 70 -4.932 -15.271 -9.189 1.00 32.20 C ATOM 1131 OD1 ASN A 70 -4.860 -16.391 -8.683 1.00 21.35 O ATOM 1132 ND2 ASN A 70 -5.548 -14.255 -8.596 1.00 71.03 N ATOM 0 H ASN A 70 -6.140 -17.464 -11.259 1.00 61.55 H new ATOM 0 HA ASN A 70 -5.982 -15.329 -11.849 1.00 51.32 H new ATOM 0 HB2 ASN A 70 -3.252 -15.251 -10.516 1.00 14.24 H new ATOM 0 HB3 ASN A 70 -4.365 -13.918 -10.749 1.00 14.24 H new ATOM 0 HD21 ASN A 70 -5.986 -14.386 -7.684 1.00 71.03 H new ATOM 0 HD22 ASN A 70 -5.583 -13.343 -9.052 1.00 71.03 H new ATOM 1139 N SER A 71 -4.790 -15.064 -13.989 1.00 62.43 N ATOM 1140 CA SER A 71 -4.121 -14.889 -15.273 1.00 34.24 C ATOM 1141 C SER A 71 -5.052 -14.228 -16.285 1.00 32.54 C ATOM 1142 O SER A 71 -6.267 -14.179 -16.088 1.00 55.22 O ATOM 1143 CB SER A 71 -3.641 -16.238 -15.809 1.00 63.03 C ATOM 1144 OG SER A 71 -2.233 -16.356 -15.707 1.00 42.50 O ATOM 0 H SER A 71 -5.748 -14.716 -13.962 1.00 62.43 H new ATOM 0 HA SER A 71 -3.259 -14.239 -15.121 1.00 34.24 H new ATOM 0 HB2 SER A 71 -4.118 -17.045 -15.252 1.00 63.03 H new ATOM 0 HB3 SER A 71 -3.944 -16.347 -16.850 1.00 63.03 H new ATOM 0 HG SER A 71 -1.968 -16.310 -14.765 1.00 42.50 H new ATOM 1150 N SER A 72 -4.474 -13.723 -17.370 1.00 54.13 N ATOM 1151 CA SER A 72 -5.250 -13.061 -18.412 1.00 21.31 C ATOM 1152 C SER A 72 -5.933 -11.809 -17.869 1.00 51.24 C ATOM 1153 O SER A 72 -5.735 -10.710 -18.384 1.00 53.21 O ATOM 1154 CB SER A 72 -6.298 -14.020 -18.983 1.00 54.25 C ATOM 1155 OG SER A 72 -5.774 -14.754 -20.076 1.00 34.15 O ATOM 0 H SER A 72 -3.471 -13.760 -17.550 1.00 54.13 H new ATOM 0 HA SER A 72 -4.566 -12.765 -19.207 1.00 21.31 H new ATOM 0 HB2 SER A 72 -6.629 -14.707 -18.205 1.00 54.25 H new ATOM 0 HB3 SER A 72 -7.174 -13.457 -19.305 1.00 54.25 H new ATOM 0 HG SER A 72 -6.461 -15.361 -20.422 1.00 34.15 H new TER 1161 SER A 72