Browse entries in the PDBbind-CN Database
HEADER 5XXF_COMPLEX COMPND 5XXF_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 71 GLY SER ASN GLU LYS ILE ARG SER GLN SER VAL LEU ASN SEQRES 2 A 71 THR LEU GLU THR PHE PHE ILE LYS GLU ASN HIS TYR ASP SEQRES 3 A 71 MET GLN ARG GLU GLU SER SER ILE VAL ASN ALA CYS LEU SEQRES 4 A 71 ARG TYR LEU GLY TYR SER LYS SER MET CYS HIS GLU LYS SEQRES 5 A 71 MET PRO ILE PHE MET ASP ILE ALA PHE ILE GLU TYR CYS SEQRES 6 A 71 PHE ASN LEU SER LEU ASP SEQRES 1 A 33 PRO ASP SER GLN GLN ILE LEU TRP GLU TYR SER LEU ILE SEQRES 2 A 33 SER ASN ALA LEU GLU ARG LEU GLU ASN ILE GLU LEU GLU SEQRES 3 A 33 ARG GLN ASN CYS MET ARG GLU SEQRES 1 A 118 ASN LYS GLU THR LEU ASN ASN GLU ALA LEU LYS LEU TYR SEQRES 2 A 118 SER CYS ALA LYS ALA GLY ILE CYS ARG TRP MET ALA PHE SEQRES 3 A 118 HIS PHE LEU GLU GLN GLU PRO ILE ASP HIS ILE ASN PHE SEQRES 4 A 118 THR LYS PHE LEU GLN ASP TRP GLY SER HIS ASN GLU LYS SEQRES 5 A 118 GLU MET GLU ALA LEU GLN ARG LEU SER LYS HIS LYS ILE SEQRES 6 A 118 ARG LYS ARG LEU ILE TYR VAL SER GLN HIS LYS LYS LYS SEQRES 7 A 118 MET PRO TRP SER LYS PHE ASN SER VAL LEU SER ARG TYR SEQRES 8 A 118 ILE GLN CYS THR LYS LEU GLN LEU GLU VAL PHE CYS ASP SEQRES 9 A 118 TYR ASP PHE LYS GLN ARG GLU ILE VAL LYS MET LEU THR SEQRES 10 A 118 SER SEQRES 1 C 31 ALA CYS GLU MET CYS ARG LEU GLY LEU PRO HIS GLY SER SEQRES 2 C 31 PHE PHE GLU LEU LEU ARG ASP TRP LYS LYS ILE GLU GLU SEQRES 3 C 31 PHE ARG ASN LYS SER HET ZN A 1 1 HET ASN A 258 265 ATOM 1 N GLY A 0 -22.254 30.562 21.662 1.00 92.11 N ATOM 2 CA GLY A 0 -22.522 30.352 20.207 1.00 92.03 C ATOM 3 C GLY A 0 -21.264 30.315 19.356 1.00 91.63 C ATOM 4 O GLY A 0 -20.977 29.304 18.710 1.00 91.21 O ATOM 5 HN3 GLY A 0 -21.761 31.468 21.795 1.00 0.00 H ATOM 6 HN2 GLY A 0 -21.659 29.787 22.019 1.00 0.00 H ATOM 7 HN1 GLY A 0 -23.155 30.576 22.181 1.00 0.00 H ATOM 8 N SER A 1 -20.514 31.418 19.370 1.00 90.25 N ATOM 9 CA SER A 1 -19.316 31.573 18.534 1.00 88.87 C ATOM 10 C SER A 1 -17.984 31.215 19.227 1.00 87.42 C ATOM 11 O SER A 1 -16.913 31.477 18.669 1.00 88.28 O ATOM 12 CB SER A 1 -19.251 32.993 17.948 1.00 88.91 C ATOM 13 OG SER A 1 -19.097 33.971 18.961 1.00 89.52 O ATOM 14 HG SER A 1 -19.059 34.870 18.547 1.00 0.00 H ATOM 15 H SER A 1 -20.789 32.200 19.998 1.00 0.00 H ATOM 16 N ASN A 2 -18.042 30.619 20.421 1.00 84.93 N ATOM 17 CA ASN A 2 -16.859 29.983 21.028 1.00 83.17 C ATOM 18 C ASN A 2 -16.439 28.750 20.227 1.00 80.87 C ATOM 19 O ASN A 2 -15.250 28.470 20.070 1.00 80.93 O ATOM 20 CB ASN A 2 -17.122 29.584 22.489 1.00 83.42 C ATOM 21 CG ASN A 2 -17.300 30.779 23.420 1.00 83.84 C ATOM 22 OD1 ASN A 2 -18.193 30.772 24.268 1.00 84.36 O ATOM 23 ND2 ASN A 2 -16.449 31.799 23.287 1.00 83.89 N ATOM 24 HD22 ASN A 2 -15.708 31.766 22.558 1.00 0.00 H ATOM 25 HD21 ASN A 2 -16.527 32.626 23.913 1.00 0.00 H ATOM 26 H ASN A 2 -18.946 30.603 20.936 1.00 0.00 H ATOM 27 N GLU A 3 -17.441 28.016 19.748 1.00 78.46 N ATOM 28 CA GLU A 3 -17.268 26.944 18.762 1.00 76.98 C ATOM 29 C GLU A 3 -16.674 27.482 17.444 1.00 73.44 C ATOM 30 O GLU A 3 -15.842 26.820 16.826 1.00 72.22 O ATOM 31 CB GLU A 3 -18.630 26.249 18.539 1.00 78.72 C ATOM 32 CG GLU A 3 -18.761 25.290 17.360 1.00 80.16 C ATOM 33 CD GLU A 3 -18.117 23.942 17.603 1.00 82.28 C ATOM 34 OE1 GLU A 3 -16.877 23.851 17.489 1.00 82.59 O ATOM 35 OE2 GLU A 3 -18.852 22.969 17.882 1.00 83.75 O ATOM 36 H GLU A 3 -18.402 28.214 20.093 1.00 0.00 H ATOM 37 N LYS A 4 -17.110 28.671 17.026 1.00 70.00 N ATOM 38 CA LYS A 4 -16.596 29.327 15.808 1.00 68.83 C ATOM 39 C LYS A 4 -15.132 29.743 15.913 1.00 65.54 C ATOM 40 O LYS A 4 -14.345 29.486 15.001 1.00 66.02 O ATOM 41 CB LYS A 4 -17.438 30.561 15.445 1.00 70.98 C ATOM 42 CG LYS A 4 -18.544 30.294 14.441 1.00 72.73 C ATOM 43 CD LYS A 4 -18.046 30.457 13.010 1.00 74.41 C ATOM 44 CE LYS A 4 -19.189 30.499 12.009 1.00 76.10 C ATOM 45 NZ LYS A 4 -18.786 31.216 10.769 1.00 76.95 N ATOM 46 HZ1 LYS A 4 -18.514 32.191 11.007 1.00 0.00 H ATOM 47 HZ2 LYS A 4 -17.979 30.726 10.334 1.00 0.00 H ATOM 48 HZ3 LYS A 4 -19.585 31.230 10.103 1.00 0.00 H ATOM 49 H LYS A 4 -17.843 29.156 17.582 1.00 0.00 H ATOM 50 N ILE A 5 -14.791 30.407 17.016 1.00 61.36 N ATOM 51 CA ILE A 5 -13.410 30.820 17.308 1.00 58.09 C ATOM 52 C ILE A 5 -12.494 29.591 17.358 1.00 54.69 C ATOM 53 O ILE A 5 -11.356 29.638 16.891 1.00 53.56 O ATOM 54 CB ILE A 5 -13.347 31.632 18.630 1.00 59.03 C ATOM 55 CG1 ILE A 5 -14.039 32.990 18.443 1.00 59.50 C ATOM 56 CG2 ILE A 5 -11.913 31.872 19.099 1.00 59.53 C ATOM 57 CD1 ILE A 5 -14.613 33.573 19.716 1.00 60.10 C ATOM 58 H ILE A 5 -15.535 30.644 17.702 1.00 0.00 H ATOM 59 N ARG A 6 -13.009 28.501 17.921 1.00 51.76 N ATOM 60 CA ARG A 6 -12.311 27.217 17.925 1.00 50.91 C ATOM 61 C ARG A 6 -12.089 26.658 16.522 1.00 49.97 C ATOM 62 O ARG A 6 -10.957 26.357 16.149 1.00 49.93 O ATOM 63 CB ARG A 6 -13.066 26.182 18.770 1.00 51.09 C ATOM 64 CG ARG A 6 -12.609 26.127 20.216 1.00 51.92 C ATOM 65 CD ARG A 6 -13.139 24.895 20.923 1.00 52.99 C ATOM 66 NE ARG A 6 -14.455 25.143 21.505 1.00 54.53 N ATOM 67 CZ ARG A 6 -14.676 25.641 22.724 1.00 56.49 C ATOM 68 NH1 ARG A 6 -13.670 25.959 23.545 1.00 56.41 N ATOM 69 NH2 ARG A 6 -15.931 25.823 23.135 1.00 58.21 N ATOM 70 HE ARG A 6 -15.286 24.913 20.924 1.00 0.00 H ATOM 71 HH12 ARG A 6 -13.872 26.345 24.489 1.00 0.00 H ATOM 72 HH11 ARG A 6 -12.686 25.820 23.239 1.00 0.00 H ATOM 73 HH22 ARG A 6 -16.117 26.210 24.082 1.00 0.00 H ATOM 74 HH21 ARG A 6 -16.724 25.578 22.508 1.00 0.00 H ATOM 75 H ARG A 6 -13.943 28.565 18.375 1.00 0.00 H ATOM 76 N SER A 7 -13.177 26.526 15.764 1.00 49.37 N ATOM 77 CA SER A 7 -13.152 25.936 14.417 1.00 48.67 C ATOM 78 C SER A 7 -12.234 26.689 13.460 1.00 47.63 C ATOM 79 O SER A 7 -11.501 26.080 12.682 1.00 47.61 O ATOM 80 CB SER A 7 -14.559 25.914 13.817 1.00 49.32 C ATOM 81 OG SER A 7 -15.496 25.310 14.690 1.00 50.44 O ATOM 82 HG SER A 7 -15.529 25.817 15.539 1.00 0.00 H ATOM 83 H SER A 7 -14.087 26.856 16.143 1.00 0.00 H ATOM 84 N GLN A 8 -12.302 28.015 13.518 1.00 46.74 N ATOM 85 CA GLN A 8 -11.427 28.888 12.729 1.00 46.97 C ATOM 86 C GLN A 8 -9.942 28.656 13.019 1.00 44.60 C ATOM 87 O GLN A 8 -9.120 28.689 12.106 1.00 44.59 O ATOM 88 CB GLN A 8 -11.789 30.364 12.960 1.00 49.52 C ATOM 89 CG GLN A 8 -12.659 30.962 11.858 1.00 51.32 C ATOM 90 CD GLN A 8 -11.907 31.436 10.607 1.00 52.75 C ATOM 91 OE1 GLN A 8 -12.547 31.900 9.663 1.00 54.33 O ATOM 92 NE2 GLN A 8 -10.567 31.338 10.586 1.00 53.09 N ATOM 93 HE22 GLN A 8 -10.062 30.940 11.403 1.00 0.00 H ATOM 94 HE21 GLN A 8 -10.035 31.660 9.752 1.00 0.00 H ATOM 95 H GLN A 8 -13.004 28.451 14.149 1.00 0.00 H ATOM 96 N SER A 9 -9.613 28.422 14.287 1.00 42.04 N ATOM 97 CA SER A 9 -8.240 28.130 14.695 1.00 40.03 C ATOM 98 C SER A 9 -7.772 26.761 14.206 1.00 38.09 C ATOM 99 O SER A 9 -6.606 26.590 13.858 1.00 38.24 O ATOM 100 CB SER A 9 -8.106 28.198 16.215 1.00 40.33 C ATOM 101 OG SER A 9 -6.739 28.266 16.578 1.00 40.78 O ATOM 102 HG SER A 9 -6.270 27.460 16.245 1.00 0.00 H ATOM 103 H SER A 9 -10.358 28.448 15.012 1.00 0.00 H ATOM 104 N VAL A 10 -8.686 25.793 14.203 1.00 36.16 N ATOM 105 CA VAL A 10 -8.425 24.453 13.663 1.00 34.80 C ATOM 106 C VAL A 10 -8.207 24.543 12.157 1.00 34.18 C ATOM 107 O VAL A 10 -7.308 23.900 11.613 1.00 34.00 O ATOM 108 CB VAL A 10 -9.594 23.485 13.972 1.00 34.62 C ATOM 109 CG1 VAL A 10 -9.430 22.146 13.262 1.00 34.59 C ATOM 110 CG2 VAL A 10 -9.708 23.251 15.473 1.00 34.86 C ATOM 111 H VAL A 10 -9.626 25.995 14.600 1.00 0.00 H ATOM 112 N LEU A 11 -9.046 25.339 11.497 1.00 33.79 N ATOM 113 CA LEU A 11 -8.912 25.613 10.066 1.00 33.32 C ATOM 114 C LEU A 11 -7.594 26.331 9.752 1.00 33.42 C ATOM 115 O LEU A 11 -6.924 25.984 8.780 1.00 33.74 O ATOM 116 CB LEU A 11 -10.113 26.426 9.560 1.00 32.71 C ATOM 117 CG LEU A 11 -10.339 26.520 8.049 1.00 32.57 C ATOM 118 CD1 LEU A 11 -10.537 25.154 7.406 1.00 32.54 C ATOM 119 CD2 LEU A 11 -11.541 27.407 7.766 1.00 32.57 C ATOM 120 H LEU A 11 -9.828 25.784 12.019 1.00 0.00 H ATOM 121 N ASN A 12 -7.228 27.314 10.579 1.00 33.64 N ATOM 122 CA ASN A 12 -5.910 27.966 10.500 1.00 33.89 C ATOM 123 C ASN A 12 -4.769 26.965 10.611 1.00 33.83 C ATOM 124 O ASN A 12 -3.819 27.014 9.832 1.00 33.77 O ATOM 125 CB ASN A 12 -5.739 29.019 11.607 1.00 34.26 C ATOM 126 CG ASN A 12 -6.557 30.277 11.367 1.00 34.59 C ATOM 127 OD1 ASN A 12 -7.010 30.548 10.252 1.00 34.31 O ATOM 128 ND2 ASN A 12 -6.748 31.061 12.426 1.00 34.93 N ATOM 129 HD22 ASN A 12 -6.348 30.795 13.349 1.00 0.00 H ATOM 130 HD21 ASN A 12 -7.297 31.939 12.331 1.00 0.00 H ATOM 131 H ASN A 12 -7.900 27.631 11.307 1.00 0.00 H ATOM 132 N THR A 13 -4.877 26.063 11.585 1.00 33.86 N ATOM 133 CA THR A 13 -3.857 25.046 11.832 1.00 33.96 C ATOM 134 C THR A 13 -3.693 24.125 10.629 1.00 34.24 C ATOM 135 O THR A 13 -2.585 23.961 10.144 1.00 34.21 O ATOM 136 CB THR A 13 -4.161 24.249 13.119 1.00 33.68 C ATOM 137 OG1 THR A 13 -4.115 25.142 14.234 1.00 33.48 O ATOM 138 CG2 THR A 13 -3.144 23.136 13.355 1.00 33.72 C ATOM 139 HG1 THR A 13 -4.791 25.855 14.112 1.00 0.00 H ATOM 140 H THR A 13 -5.720 26.083 12.194 1.00 0.00 H ATOM 141 N LEU A 14 -4.789 23.553 10.139 1.00 35.15 N ATOM 142 CA LEU A 14 -4.743 22.730 8.919 1.00 35.92 C ATOM 143 C LEU A 14 -4.075 23.453 7.761 1.00 36.64 C ATOM 144 O LEU A 14 -3.265 22.865 7.040 1.00 36.26 O ATOM 145 CB LEU A 14 -6.144 22.306 8.474 1.00 36.11 C ATOM 146 CG LEU A 14 -6.671 21.029 9.109 1.00 36.53 C ATOM 147 CD1 LEU A 14 -8.152 20.878 8.796 1.00 37.34 C ATOM 148 CD2 LEU A 14 -5.902 19.803 8.638 1.00 36.49 C ATOM 149 H LEU A 14 -5.697 23.690 10.627 1.00 0.00 H ATOM 150 N GLU A 15 -4.416 24.731 7.608 1.00 37.41 N ATOM 151 CA GLU A 15 -3.853 25.589 6.564 1.00 38.13 C ATOM 152 C GLU A 15 -2.315 25.652 6.616 1.00 37.77 C ATOM 153 O GLU A 15 -1.659 25.628 5.572 1.00 38.01 O ATOM 154 CB GLU A 15 -4.451 26.996 6.669 1.00 38.90 C ATOM 155 CG GLU A 15 -4.422 27.789 5.377 1.00 39.68 C ATOM 156 CD GLU A 15 -4.518 29.291 5.591 1.00 40.81 C ATOM 157 OE1 GLU A 15 -3.921 29.813 6.559 1.00 41.65 O ATOM 158 OE2 GLU A 15 -5.187 29.960 4.774 1.00 42.29 O ATOM 159 H GLU A 15 -5.115 25.139 8.261 1.00 0.00 H ATOM 160 N THR A 16 -1.753 25.705 7.826 1.00 36.92 N ATOM 161 CA THR A 16 -0.292 25.669 8.011 1.00 36.45 C ATOM 162 C THR A 16 0.331 24.279 7.763 1.00 36.12 C ATOM 163 O THR A 16 1.556 24.164 7.701 1.00 36.80 O ATOM 164 CB THR A 16 0.141 26.152 9.419 1.00 36.22 C ATOM 165 OG1 THR A 16 -0.320 25.237 10.421 1.00 36.01 O ATOM 166 CG2 THR A 16 -0.387 27.556 9.718 1.00 36.32 C ATOM 167 HG1 THR A 16 -1.308 25.182 10.387 1.00 0.00 H ATOM 168 H THR A 16 -2.366 25.774 8.664 1.00 0.00 H ATOM 169 N PHE A 17 -0.502 23.241 7.658 1.00 35.33 N ATOM 170 CA PHE A 17 -0.071 21.880 7.300 1.00 35.09 C ATOM 171 C PHE A 17 -0.350 21.508 5.838 1.00 35.42 C ATOM 172 O PHE A 17 0.361 20.677 5.266 1.00 35.06 O ATOM 173 CB PHE A 17 -0.759 20.855 8.208 1.00 34.80 C ATOM 174 CG PHE A 17 -0.141 20.734 9.572 1.00 34.69 C ATOM 175 CD1 PHE A 17 -0.470 21.625 10.584 1.00 34.65 C ATOM 176 CD2 PHE A 17 0.762 19.716 9.854 1.00 34.61 C ATOM 177 CE1 PHE A 17 0.091 21.513 11.846 1.00 34.47 C ATOM 178 CE2 PHE A 17 1.326 19.598 11.116 1.00 34.16 C ATOM 179 CZ PHE A 17 0.992 20.496 12.112 1.00 34.01 C ATOM 180 H PHE A 17 -1.513 23.403 7.840 1.00 0.00 H ATOM 181 N PHE A 18 -1.387 22.113 5.252 1.00 35.77 N ATOM 182 CA PHE A 18 -1.876 21.768 3.906 1.00 35.14 C ATOM 183 C PHE A 18 -1.265 22.617 2.798 1.00 35.94 C ATOM 184 O PHE A 18 -1.112 22.131 1.678 1.00 36.12 O ATOM 185 CB PHE A 18 -3.411 21.874 3.862 1.00 34.25 C ATOM 186 CG PHE A 18 -4.146 20.646 4.357 1.00 33.59 C ATOM 187 CD1 PHE A 18 -3.490 19.570 4.971 1.00 33.39 C ATOM 188 CD2 PHE A 18 -5.531 20.580 4.224 1.00 33.49 C ATOM 189 CE1 PHE A 18 -4.197 18.459 5.409 1.00 33.43 C ATOM 190 CE2 PHE A 18 -6.242 19.472 4.668 1.00 33.38 C ATOM 191 CZ PHE A 18 -5.574 18.409 5.260 1.00 33.44 C ATOM 192 H PHE A 18 -1.875 22.868 5.774 1.00 0.00 H ATOM 193 N ILE A 19 -0.931 23.871 3.096 1.00 37.55 N ATOM 194 CA ILE A 19 -0.278 24.742 2.116 1.00 39.04 C ATOM 195 C ILE A 19 1.240 24.525 2.157 1.00 42.22 C ATOM 196 O ILE A 19 1.928 25.008 3.062 1.00 42.53 O ATOM 197 CB ILE A 19 -0.659 26.226 2.313 1.00 38.01 C ATOM 198 CG1 ILE A 19 -2.178 26.383 2.114 1.00 37.84 C ATOM 199 CG2 ILE A 19 0.112 27.114 1.338 1.00 37.53 C ATOM 200 CD1 ILE A 19 -2.717 27.794 2.233 1.00 37.70 C ATOM 201 H ILE A 19 -1.138 24.240 4.046 1.00 0.00 H ATOM 202 N LYS A 20 1.731 23.772 1.172 1.00 45.41 N ATOM 203 CA LYS A 20 3.159 23.576 0.931 1.00 48.10 C ATOM 204 C LYS A 20 3.464 24.162 -0.452 1.00 50.84 C ATOM 205 O LYS A 20 2.535 24.454 -1.219 1.00 49.71 O ATOM 206 CB LYS A 20 3.519 22.084 0.948 1.00 48.77 C ATOM 207 CG LYS A 20 2.849 21.221 2.014 1.00 49.22 C ATOM 208 CD LYS A 20 3.713 20.964 3.246 1.00 50.06 C ATOM 209 CE LYS A 20 3.413 19.589 3.838 1.00 51.08 C ATOM 210 NZ LYS A 20 3.547 19.538 5.317 1.00 51.40 N ATOM 211 HZ1 LYS A 20 4.521 19.787 5.584 1.00 0.00 H ATOM 212 HZ2 LYS A 20 2.884 20.214 5.747 1.00 0.00 H ATOM 213 HZ3 LYS A 20 3.329 18.577 5.651 1.00 0.00 H ATOM 214 H LYS A 20 1.058 23.296 0.538 1.00 0.00 H ATOM 215 N GLU A 21 4.749 24.331 -0.777 1.00 54.25 N ATOM 216 CA GLU A 21 5.136 24.856 -2.100 1.00 56.56 C ATOM 217 C GLU A 21 4.762 23.862 -3.193 1.00 56.08 C ATOM 218 O GLU A 21 4.132 24.232 -4.190 1.00 57.18 O ATOM 219 CB GLU A 21 6.631 25.187 -2.182 1.00 58.38 C ATOM 220 CG GLU A 21 7.026 25.865 -3.495 1.00 59.49 C ATOM 221 CD GLU A 21 8.450 26.396 -3.506 1.00 60.57 C ATOM 222 OE1 GLU A 21 9.321 25.815 -2.822 1.00 60.76 O ATOM 223 OE2 GLU A 21 8.702 27.391 -4.218 1.00 61.34 O ATOM 224 H GLU A 21 5.488 24.089 -0.086 1.00 0.00 H ATOM 225 N ASN A 22 5.160 22.608 -2.991 1.00 54.14 N ATOM 226 CA ASN A 22 4.718 21.498 -3.835 1.00 52.83 C ATOM 227 C ASN A 22 3.480 20.842 -3.216 1.00 50.48 C ATOM 228 O ASN A 22 2.883 21.404 -2.303 1.00 48.82 O ATOM 229 CB ASN A 22 5.878 20.524 -4.060 1.00 53.07 C ATOM 230 CG ASN A 22 6.941 21.103 -4.977 1.00 53.27 C ATOM 231 OD1 ASN A 22 6.645 21.498 -6.105 1.00 52.95 O ATOM 232 ND2 ASN A 22 8.181 21.157 -4.504 1.00 53.77 N ATOM 233 HD22 ASN A 22 8.387 20.812 -3.545 1.00 0.00 H ATOM 234 HD21 ASN A 22 8.946 21.544 -5.093 1.00 0.00 H ATOM 235 H ASN A 22 5.810 22.410 -2.203 1.00 0.00 H ATOM 236 N HIS A 23 3.076 19.680 -3.720 1.00 49.67 N ATOM 237 CA HIS A 23 1.809 19.070 -3.317 1.00 48.31 C ATOM 238 C HIS A 23 1.846 18.497 -1.913 1.00 47.89 C ATOM 239 O HIS A 23 2.893 18.066 -1.428 1.00 47.77 O ATOM 240 CB HIS A 23 1.401 17.970 -4.294 1.00 47.67 C ATOM 241 CG HIS A 23 1.375 18.417 -5.717 1.00 46.87 C ATOM 242 ND1 HIS A 23 0.648 19.510 -6.130 1.00 46.86 N ATOM 243 CD2 HIS A 23 2.003 17.940 -6.815 1.00 46.53 C ATOM 244 CE1 HIS A 23 0.816 19.678 -7.427 1.00 46.73 C ATOM 245 NE2 HIS A 23 1.636 18.741 -7.867 1.00 46.66 N ATOM 246 H HIS A 23 3.675 19.193 -4.417 1.00 0.00 H ATOM 247 N TYR A 24 0.683 18.503 -1.272 1.00 48.54 N ATOM 248 CA TYR A 24 0.513 17.895 0.031 1.00 49.16 C ATOM 249 C TYR A 24 0.505 16.376 -0.094 1.00 50.50 C ATOM 250 O TYR A 24 -0.129 15.812 -0.991 1.00 50.79 O ATOM 251 CB TYR A 24 -0.788 18.363 0.695 1.00 48.52 C ATOM 252 CG TYR A 24 -1.042 17.702 2.031 1.00 48.06 C ATOM 253 CD1 TYR A 24 -0.462 18.198 3.197 1.00 47.71 C ATOM 254 CD2 TYR A 24 -1.844 16.563 2.126 1.00 47.75 C ATOM 255 CE1 TYR A 24 -0.683 17.585 4.421 1.00 47.65 C ATOM 256 CE2 TYR A 24 -2.069 15.943 3.343 1.00 47.24 C ATOM 257 CZ TYR A 24 -1.489 16.458 4.485 1.00 47.48 C ATOM 258 OH TYR A 24 -1.712 15.850 5.691 1.00 48.64 O ATOM 259 HH TYR A 24 -1.228 16.341 6.401 1.00 0.00 H ATOM 260 H TYR A 24 -0.135 18.961 -1.722 1.00 0.00 H ATOM 261 N ASP A 25 1.245 15.738 0.805 1.00 52.25 N ATOM 262 CA ASP A 25 1.095 14.323 1.105 1.00 53.63 C ATOM 263 C ASP A 25 1.076 14.228 2.614 1.00 53.61 C ATOM 264 O ASP A 25 1.808 14.949 3.295 1.00 53.69 O ATOM 265 CB ASP A 25 2.257 13.501 0.535 1.00 54.84 C ATOM 266 CG ASP A 25 2.131 12.004 0.835 1.00 55.25 C ATOM 267 OD1 ASP A 25 0.992 11.483 0.862 1.00 55.02 O ATOM 268 OD2 ASP A 25 3.178 11.350 1.042 1.00 54.92 O ATOM 269 H ASP A 25 1.969 16.278 1.321 1.00 0.00 H ATOM 270 N MET A 26 0.237 13.344 3.134 1.00 55.00 N ATOM 271 CA MET A 26 0.110 13.185 4.570 1.00 56.68 C ATOM 272 C MET A 26 1.271 12.352 5.093 1.00 56.72 C ATOM 273 O MET A 26 1.313 11.136 4.895 1.00 56.23 O ATOM 274 CB MET A 26 -1.226 12.540 4.923 1.00 58.14 C ATOM 275 CG MET A 26 -1.551 12.615 6.402 1.00 59.11 C ATOM 276 SD MET A 26 -3.155 11.902 6.760 1.00 59.85 S ATOM 277 CE MET A 26 -2.748 10.164 6.594 1.00 61.74 C ATOM 278 H MET A 26 -0.340 12.754 2.501 1.00 0.00 H ATOM 279 N GLN A 27 2.210 13.026 5.755 1.00 57.74 N ATOM 280 CA GLN A 27 3.378 12.371 6.340 1.00 57.85 C ATOM 281 C GLN A 27 3.003 11.833 7.722 1.00 58.60 C ATOM 282 O GLN A 27 2.139 12.392 8.401 1.00 57.29 O ATOM 283 CB GLN A 27 4.575 13.334 6.423 1.00 58.16 C ATOM 284 CG GLN A 27 4.856 14.175 5.172 1.00 58.66 C ATOM 285 CD GLN A 27 5.030 13.370 3.885 1.00 60.09 C ATOM 286 OE1 GLN A 27 5.214 12.151 3.906 1.00 61.70 O ATOM 287 NE2 GLN A 27 4.989 14.065 2.749 1.00 60.55 N ATOM 288 HE22 GLN A 27 4.831 15.093 2.774 1.00 0.00 H ATOM 289 HE21 GLN A 27 5.115 13.580 1.838 1.00 0.00 H ATOM 290 H GLN A 27 2.108 14.056 5.859 1.00 0.00 H ATOM 291 N ARG A 28 3.668 10.752 8.128 1.00 61.51 N ATOM 292 CA ARG A 28 3.323 10.001 9.355 1.00 64.48 C ATOM 293 C ARG A 28 3.361 10.864 10.623 1.00 63.19 C ATOM 294 O ARG A 28 2.581 10.648 11.552 1.00 64.37 O ATOM 295 CB ARG A 28 4.266 8.793 9.543 1.00 68.42 C ATOM 296 CG ARG A 28 3.569 7.463 9.830 1.00 72.32 C ATOM 297 CD ARG A 28 3.472 6.599 8.575 1.00 74.23 C ATOM 298 NE ARG A 28 4.782 6.049 8.191 1.00 76.37 N ATOM 299 CZ ARG A 28 5.219 4.803 8.413 1.00 77.69 C ATOM 300 NH1 ARG A 28 6.438 4.451 8.009 1.00 78.52 N ATOM 301 NH2 ARG A 28 4.463 3.895 9.020 1.00 78.11 N ATOM 302 HE ARG A 28 5.433 6.693 7.698 1.00 0.00 H ATOM 303 HH12 ARG A 28 6.783 3.485 8.178 1.00 0.00 H ATOM 304 HH11 ARG A 28 7.045 5.142 7.524 1.00 0.00 H ATOM 305 HH22 ARG A 28 4.830 2.935 9.179 1.00 0.00 H ATOM 306 HH21 ARG A 28 3.504 4.144 9.337 1.00 0.00 H ATOM 307 H ARG A 28 4.469 10.420 7.554 1.00 0.00 H ATOM 308 N GLU A 29 4.265 11.839 10.639 1.00 61.81 N ATOM 309 CA GLU A 29 4.471 12.723 11.789 1.00 60.49 C ATOM 310 C GLU A 29 3.406 13.826 11.888 1.00 56.86 C ATOM 311 O GLU A 29 3.249 14.437 12.945 1.00 55.73 O ATOM 312 CB GLU A 29 5.871 13.341 11.714 1.00 63.72 C ATOM 313 CG GLU A 29 7.001 12.313 11.610 1.00 66.91 C ATOM 314 CD GLU A 29 8.338 12.916 11.212 1.00 70.37 C ATOM 315 OE1 GLU A 29 8.371 13.758 10.284 1.00 73.87 O ATOM 316 OE2 GLU A 29 9.365 12.531 11.815 1.00 70.28 O ATOM 317 H GLU A 29 4.854 11.981 9.794 1.00 0.00 H ATOM 318 N GLU A 30 2.695 14.079 10.786 1.00 54.08 N ATOM 319 CA GLU A 30 1.574 15.031 10.738 1.00 51.64 C ATOM 320 C GLU A 30 0.199 14.370 10.913 1.00 49.23 C ATOM 321 O GLU A 30 -0.742 15.026 11.355 1.00 48.27 O ATOM 322 CB GLU A 30 1.574 15.775 9.397 1.00 51.85 C ATOM 323 CG GLU A 30 2.771 16.686 9.173 1.00 52.55 C ATOM 324 CD GLU A 30 2.865 17.212 7.750 1.00 53.91 C ATOM 325 OE1 GLU A 30 1.850 17.201 7.013 1.00 54.59 O ATOM 326 OE2 GLU A 30 3.969 17.649 7.360 1.00 54.72 O ATOM 327 H GLU A 30 2.948 13.575 9.912 1.00 0.00 H ATOM 328 N SER A 31 0.089 13.086 10.569 1.00 46.85 N ATOM 329 CA SER A 31 -1.212 12.430 10.356 1.00 45.90 C ATOM 330 C SER A 31 -2.204 12.493 11.529 1.00 45.20 C ATOM 331 O SER A 31 -3.401 12.687 11.310 1.00 45.24 O ATOM 332 CB SER A 31 -1.007 10.973 9.927 1.00 45.60 C ATOM 333 OG SER A 31 -0.206 10.277 10.861 1.00 46.05 O ATOM 334 HG SER A 31 0.679 10.716 10.927 1.00 0.00 H ATOM 335 H SER A 31 0.957 12.526 10.446 1.00 0.00 H ATOM 336 N SER A 32 -1.712 12.339 12.756 1.00 44.12 N ATOM 337 CA SER A 32 -2.579 12.357 13.944 1.00 42.99 C ATOM 338 C SER A 32 -3.262 13.714 14.141 1.00 42.09 C ATOM 339 O SER A 32 -4.479 13.775 14.325 1.00 42.62 O ATOM 340 CB SER A 32 -1.789 11.968 15.199 1.00 43.00 C ATOM 341 OG SER A 32 -2.532 12.223 16.379 1.00 43.26 O ATOM 342 HG SER A 32 -1.995 11.962 17.169 1.00 0.00 H ATOM 343 H SER A 32 -0.688 12.202 12.878 1.00 0.00 H ATOM 344 N ILE A 33 -2.475 14.788 14.103 1.00 40.91 N ATOM 345 CA ILE A 33 -3.019 16.154 14.221 1.00 39.96 C ATOM 346 C ILE A 33 -3.853 16.561 12.997 1.00 39.71 C ATOM 347 O ILE A 33 -4.862 17.255 13.143 1.00 39.92 O ATOM 348 CB ILE A 33 -1.931 17.218 14.579 1.00 39.34 C ATOM 349 CG1 ILE A 33 -2.564 18.604 14.795 1.00 39.24 C ATOM 350 CG2 ILE A 33 -0.832 17.310 13.526 1.00 39.21 C ATOM 351 CD1 ILE A 33 -2.110 19.291 16.061 1.00 39.49 C ATOM 352 H ILE A 33 -1.449 14.660 13.987 1.00 0.00 H ATOM 353 N VAL A 34 -3.453 16.119 11.806 1.00 39.42 N ATOM 354 CA VAL A 34 -4.239 16.381 10.592 1.00 38.96 C ATOM 355 C VAL A 34 -5.601 15.685 10.686 1.00 38.57 C ATOM 356 O VAL A 34 -6.622 16.293 10.378 1.00 38.61 O ATOM 357 CB VAL A 34 -3.471 15.980 9.309 1.00 38.98 C ATOM 358 CG1 VAL A 34 -4.374 16.003 8.080 1.00 39.31 C ATOM 359 CG2 VAL A 34 -2.296 16.924 9.092 1.00 38.90 C ATOM 360 H VAL A 34 -2.568 15.578 11.734 1.00 0.00 H ATOM 361 N ASN A 35 -5.605 14.428 11.128 1.00 38.06 N ATOM 362 CA ASN A 35 -6.846 13.683 11.375 1.00 37.80 C ATOM 363 C ASN A 35 -7.756 14.339 12.405 1.00 36.96 C ATOM 364 O ASN A 35 -8.950 14.522 12.162 1.00 37.06 O ATOM 365 CB ASN A 35 -6.529 12.255 11.833 1.00 38.57 C ATOM 366 CG ASN A 35 -6.054 11.369 10.700 1.00 39.53 C ATOM 367 OD1 ASN A 35 -6.318 11.643 9.534 1.00 40.00 O ATOM 368 ND2 ASN A 35 -5.349 10.299 11.039 1.00 40.61 N ATOM 369 HD22 ASN A 35 -5.148 10.105 12.041 1.00 0.00 H ATOM 370 HD21 ASN A 35 -4.997 9.654 10.303 1.00 0.00 H ATOM 371 H ASN A 35 -4.695 13.957 11.305 1.00 0.00 H ATOM 372 N ALA A 36 -7.177 14.684 13.552 1.00 36.01 N ATOM 373 CA ALA A 36 -7.910 15.318 14.650 1.00 35.49 C ATOM 374 C ALA A 36 -8.581 16.626 14.238 1.00 35.07 C ATOM 375 O ALA A 36 -9.668 16.950 14.717 1.00 35.05 O ATOM 376 CB ALA A 36 -6.977 15.569 15.819 1.00 35.42 C ATOM 377 H ALA A 36 -6.162 14.496 13.674 1.00 0.00 H ATOM 378 N CYS A 37 -7.915 17.368 13.357 1.00 34.97 N ATOM 379 CA CYS A 37 -8.428 18.638 12.847 1.00 35.06 C ATOM 380 C CYS A 37 -9.615 18.442 11.918 1.00 36.00 C ATOM 381 O CYS A 37 -10.643 19.106 12.065 1.00 36.13 O ATOM 382 CB CYS A 37 -7.329 19.388 12.100 1.00 34.49 C ATOM 383 SG CYS A 37 -6.136 20.193 13.186 1.00 34.01 S ATOM 384 H CYS A 37 -6.992 17.031 13.017 1.00 0.00 H ATOM 385 N LEU A 38 -9.454 17.534 10.958 1.00 37.07 N ATOM 386 CA LEU A 38 -10.509 17.217 10.001 1.00 37.87 C ATOM 387 C LEU A 38 -11.742 16.704 10.731 1.00 39.01 C ATOM 388 O LEU A 38 -12.852 17.180 10.483 1.00 39.30 O ATOM 389 CB LEU A 38 -10.032 16.180 8.982 1.00 37.67 C ATOM 390 CG LEU A 38 -8.887 16.613 8.056 1.00 37.71 C ATOM 391 CD1 LEU A 38 -8.282 15.404 7.357 1.00 37.96 C ATOM 392 CD2 LEU A 38 -9.331 17.651 7.037 1.00 37.77 C ATOM 393 H LEU A 38 -8.545 17.033 10.888 1.00 0.00 H ATOM 394 N ARG A 39 -11.535 15.759 11.649 1.00 40.46 N ATOM 395 CA ARG A 39 -12.633 15.221 12.449 1.00 42.06 C ATOM 396 C ARG A 39 -13.362 16.327 13.201 1.00 41.26 C ATOM 397 O ARG A 39 -14.590 16.373 13.187 1.00 41.09 O ATOM 398 CB ARG A 39 -12.170 14.141 13.438 1.00 44.80 C ATOM 399 CG ARG A 39 -13.282 13.147 13.744 1.00 48.01 C ATOM 400 CD ARG A 39 -13.129 12.417 15.066 1.00 50.68 C ATOM 401 NE ARG A 39 -14.208 11.436 15.220 1.00 54.01 N ATOM 402 CZ ARG A 39 -15.431 11.681 15.709 1.00 57.24 C ATOM 403 NH1 ARG A 39 -15.791 12.895 16.139 1.00 58.66 N ATOM 404 NH2 ARG A 39 -16.316 10.686 15.779 1.00 58.34 N ATOM 405 HE ARG A 39 -14.005 10.460 14.922 1.00 0.00 H ATOM 406 HH12 ARG A 39 -16.749 13.051 16.513 1.00 0.00 H ATOM 407 HH11 ARG A 39 -15.113 13.683 16.099 1.00 0.00 H ATOM 408 HH22 ARG A 39 -17.269 10.863 16.157 1.00 0.00 H ATOM 409 HH21 ARG A 39 -16.054 9.733 15.456 1.00 0.00 H ATOM 410 H ARG A 39 -10.571 15.397 11.799 1.00 0.00 H ATOM 411 N TYR A 40 -12.609 17.227 13.833 1.00 40.34 N ATOM 412 CA TYR A 40 -13.220 18.324 14.576 1.00 39.77 C ATOM 413 C TYR A 40 -14.142 19.143 13.679 1.00 39.84 C ATOM 414 O TYR A 40 -15.321 19.322 13.994 1.00 39.36 O ATOM 415 CB TYR A 40 -12.177 19.244 15.215 1.00 39.64 C ATOM 416 CG TYR A 40 -12.833 20.239 16.135 1.00 39.52 C ATOM 417 CD1 TYR A 40 -13.127 19.902 17.454 1.00 39.27 C ATOM 418 CD2 TYR A 40 -13.220 21.497 15.673 1.00 39.95 C ATOM 419 CE1 TYR A 40 -13.761 20.798 18.297 1.00 39.59 C ATOM 420 CE2 TYR A 40 -13.858 22.401 16.510 1.00 40.44 C ATOM 421 CZ TYR A 40 -14.125 22.045 17.820 1.00 40.14 C ATOM 422 OH TYR A 40 -14.754 22.935 18.654 1.00 41.22 O ATOM 423 HH TYR A 40 -15.641 23.165 18.280 1.00 0.00 H ATOM 424 H TYR A 40 -11.573 17.146 13.796 1.00 0.00 H ATOM 425 N LEU A 41 -13.591 19.623 12.564 1.00 39.88 N ATOM 426 CA LEU A 41 -14.353 20.400 11.575 1.00 39.55 C ATOM 427 C LEU A 41 -15.529 19.617 10.977 1.00 39.17 C ATOM 428 O LEU A 41 -16.579 20.197 10.685 1.00 38.39 O ATOM 429 CB LEU A 41 -13.433 20.889 10.448 1.00 39.06 C ATOM 430 CG LEU A 41 -12.315 21.878 10.800 1.00 38.74 C ATOM 431 CD1 LEU A 41 -11.608 22.316 9.528 1.00 38.85 C ATOM 432 CD2 LEU A 41 -12.820 23.096 11.555 1.00 38.73 C ATOM 433 H LEU A 41 -12.583 19.441 12.387 1.00 0.00 H ATOM 434 N GLY A 42 -15.342 18.307 10.809 1.00 38.79 N ATOM 435 CA GLY A 42 -16.398 17.408 10.354 1.00 38.70 C ATOM 436 C GLY A 42 -17.618 17.382 11.256 1.00 38.58 C ATOM 437 O GLY A 42 -18.748 17.356 10.768 1.00 39.07 O ATOM 438 H GLY A 42 -14.403 17.909 11.011 1.00 0.00 H ATOM 439 N TYR A 43 -17.391 17.395 12.568 1.00 38.56 N ATOM 440 CA TYR A 43 -18.481 17.388 13.555 1.00 38.27 C ATOM 441 C TYR A 43 -18.742 18.756 14.188 1.00 37.62 C ATOM 442 O TYR A 43 -19.568 18.865 15.095 1.00 37.51 O ATOM 443 CB TYR A 43 -18.202 16.337 14.634 1.00 38.36 C ATOM 444 CG TYR A 43 -18.304 14.932 14.103 1.00 39.17 C ATOM 445 CD1 TYR A 43 -17.208 14.309 13.514 1.00 39.87 C ATOM 446 CD2 TYR A 43 -19.505 14.227 14.164 1.00 40.00 C ATOM 447 CE1 TYR A 43 -17.297 13.020 13.012 1.00 40.43 C ATOM 448 CE2 TYR A 43 -19.606 12.935 13.666 1.00 40.43 C ATOM 449 CZ TYR A 43 -18.498 12.336 13.090 1.00 40.68 C ATOM 450 OH TYR A 43 -18.583 11.058 12.593 1.00 41.56 O ATOM 451 HH TYR A 43 -17.705 10.791 12.221 1.00 0.00 H ATOM 452 H TYR A 43 -16.408 17.411 12.907 1.00 0.00 H ATOM 453 N SER A 44 -18.064 19.797 13.705 1.00 37.62 N ATOM 454 CA SER A 44 -18.283 21.140 14.218 1.00 38.30 C ATOM 455 C SER A 44 -19.616 21.645 13.696 1.00 39.59 C ATOM 456 O SER A 44 -19.813 21.784 12.486 1.00 39.66 O ATOM 457 CB SER A 44 -17.159 22.097 13.822 1.00 38.04 C ATOM 458 OG SER A 44 -17.401 23.393 14.350 1.00 37.28 O ATOM 459 HG SER A 44 -16.665 23.999 14.084 1.00 0.00 H ATOM 460 H SER A 44 -17.367 19.646 12.948 1.00 0.00 H ATOM 461 N LYS A 45 -20.524 21.902 14.632 1.00 41.84 N ATOM 462 CA LYS A 45 -21.867 22.411 14.339 1.00 43.54 C ATOM 463 C LYS A 45 -21.805 23.700 13.519 1.00 42.83 C ATOM 464 O LYS A 45 -22.527 23.856 12.534 1.00 42.87 O ATOM 465 CB LYS A 45 -22.634 22.663 15.653 1.00 45.19 C ATOM 466 CG LYS A 45 -24.071 22.157 15.666 1.00 46.46 C ATOM 467 CD LYS A 45 -24.506 21.749 17.069 1.00 47.39 C ATOM 468 CE LYS A 45 -23.986 20.367 17.448 1.00 47.94 C ATOM 469 NZ LYS A 45 -24.286 20.029 18.867 1.00 48.65 N ATOM 470 HZ1 LYS A 45 -23.836 20.729 19.491 1.00 0.00 H ATOM 471 HZ2 LYS A 45 -25.315 20.042 19.015 1.00 0.00 H ATOM 472 HZ3 LYS A 45 -23.915 19.082 19.082 1.00 0.00 H ATOM 473 H LYS A 45 -20.268 21.733 15.626 1.00 0.00 H ATOM 474 N SER A 46 -20.913 24.598 13.925 1.00 42.66 N ATOM 475 CA SER A 46 -20.764 25.905 13.290 1.00 43.09 C ATOM 476 C SER A 46 -20.135 25.887 11.889 1.00 41.76 C ATOM 477 O SER A 46 -20.223 26.883 11.170 1.00 41.22 O ATOM 478 CB SER A 46 -19.946 26.829 14.195 1.00 44.19 C ATOM 479 OG SER A 46 -18.577 26.459 14.211 1.00 45.15 O ATOM 480 HG SER A 46 -18.491 25.532 14.548 1.00 0.00 H ATOM 481 H SER A 46 -20.296 24.360 14.728 1.00 0.00 H ATOM 482 N MET A 47 -19.495 24.780 11.509 1.00 41.19 N ATOM 483 CA MET A 47 -18.880 24.657 10.179 1.00 41.40 C ATOM 484 C MET A 47 -19.833 24.138 9.093 1.00 40.36 C ATOM 485 O MET A 47 -19.502 24.206 7.908 1.00 40.12 O ATOM 486 CB MET A 47 -17.630 23.760 10.249 1.00 41.91 C ATOM 487 CG MET A 47 -16.490 24.331 11.085 1.00 41.83 C ATOM 488 SD MET A 47 -15.968 25.999 10.626 1.00 41.95 S ATOM 489 CE MET A 47 -14.733 25.671 9.376 1.00 42.27 C ATOM 490 H MET A 47 -19.429 23.981 12.172 1.00 0.00 H ATOM 491 N CYS A 48 -21.007 23.647 9.491 1.00 39.62 N ATOM 492 CA CYS A 48 -21.940 22.953 8.583 1.00 38.66 C ATOM 493 C CYS A 48 -22.339 23.678 7.296 1.00 39.66 C ATOM 494 O CYS A 48 -22.564 23.024 6.276 1.00 39.94 O ATOM 495 CB CYS A 48 -23.202 22.543 9.343 1.00 37.19 C ATOM 496 SG CYS A 48 -22.912 21.141 10.440 1.00 35.36 S ATOM 497 H CYS A 48 -21.278 23.759 10.489 1.00 0.00 H ATOM 498 N HIS A 49 -22.431 25.005 7.340 1.00 40.98 N ATOM 499 CA HIS A 49 -22.798 25.796 6.156 1.00 41.76 C ATOM 500 C HIS A 49 -21.730 26.817 5.774 1.00 43.87 C ATOM 501 O HIS A 49 -22.011 27.795 5.076 1.00 44.45 O ATOM 502 CB HIS A 49 -24.151 26.459 6.391 1.00 41.00 C ATOM 503 CG HIS A 49 -25.254 25.477 6.618 1.00 40.09 C ATOM 504 ND1 HIS A 49 -25.722 24.646 5.623 1.00 39.80 N ATOM 505 CD2 HIS A 49 -25.963 25.173 7.729 1.00 39.63 C ATOM 506 CE1 HIS A 49 -26.683 23.882 6.109 1.00 39.39 C ATOM 507 NE2 HIS A 49 -26.846 24.182 7.385 1.00 39.33 N ATOM 508 H HIS A 49 -22.238 25.496 8.236 1.00 0.00 H ATOM 509 N GLU A 50 -20.498 26.562 6.206 1.00 46.58 N ATOM 510 CA GLU A 50 -19.371 27.422 5.885 1.00 48.30 C ATOM 511 C GLU A 50 -18.782 26.949 4.563 1.00 47.88 C ATOM 512 O GLU A 50 -18.762 25.749 4.275 1.00 47.60 O ATOM 513 CB GLU A 50 -18.321 27.384 7.007 1.00 49.96 C ATOM 514 CG GLU A 50 -17.646 28.723 7.282 1.00 51.74 C ATOM 515 CD GLU A 50 -18.601 29.794 7.797 1.00 52.97 C ATOM 516 OE1 GLU A 50 -19.726 29.463 8.233 1.00 53.33 O ATOM 517 OE2 GLU A 50 -18.220 30.984 7.772 1.00 54.83 O ATOM 518 H GLU A 50 -20.336 25.719 6.793 1.00 0.00 H ATOM 519 N LYS A 51 -18.316 27.904 3.765 1.00 48.23 N ATOM 520 CA LYS A 51 -17.729 27.624 2.458 1.00 48.91 C ATOM 521 C LYS A 51 -16.418 26.860 2.625 1.00 47.63 C ATOM 522 O LYS A 51 -15.622 27.184 3.507 1.00 47.19 O ATOM 523 CB LYS A 51 -17.468 28.938 1.715 1.00 50.59 C ATOM 524 CG LYS A 51 -17.210 28.784 0.227 1.00 52.14 C ATOM 525 CD LYS A 51 -16.707 30.086 -0.382 1.00 53.55 C ATOM 526 CE LYS A 51 -15.970 29.851 -1.690 1.00 54.50 C ATOM 527 NZ LYS A 51 -14.651 29.186 -1.482 1.00 55.02 N ATOM 528 HZ1 LYS A 51 -14.054 29.785 -0.877 1.00 0.00 H ATOM 529 HZ2 LYS A 51 -14.797 28.264 -1.023 1.00 0.00 H ATOM 530 HZ3 LYS A 51 -14.186 29.047 -2.402 1.00 0.00 H ATOM 531 H LYS A 51 -18.372 28.892 4.085 1.00 0.00 H ATOM 532 N MET A 52 -16.208 25.844 1.787 1.00 46.24 N ATOM 533 CA MET A 52 -14.964 25.084 1.803 1.00 44.94 C ATOM 534 C MET A 52 -13.875 25.959 1.189 1.00 43.77 C ATOM 535 O MET A 52 -13.978 26.307 0.010 1.00 43.30 O ATOM 536 CB MET A 52 -15.098 23.774 1.017 1.00 45.35 C ATOM 537 CG MET A 52 -13.878 22.864 1.103 1.00 45.38 C ATOM 538 SD MET A 52 -13.561 22.249 2.769 1.00 45.43 S ATOM 539 CE MET A 52 -14.299 20.624 2.672 1.00 45.69 C ATOM 540 H MET A 52 -16.950 25.587 1.105 1.00 0.00 H ATOM 541 N PRO A 53 -12.841 26.335 1.983 1.00 42.74 N ATOM 542 CA PRO A 53 -11.742 27.153 1.458 1.00 41.67 C ATOM 543 C PRO A 53 -10.967 26.407 0.391 1.00 41.31 C ATOM 544 O PRO A 53 -10.893 25.177 0.435 1.00 40.52 O ATOM 545 CB PRO A 53 -10.853 27.396 2.685 1.00 41.34 C ATOM 546 CG PRO A 53 -11.713 27.108 3.856 1.00 41.75 C ATOM 547 CD PRO A 53 -12.612 26.005 3.401 1.00 42.37 C ATOM 548 N ILE A 54 -10.391 27.141 -0.556 1.00 41.76 N ATOM 549 CA ILE A 54 -9.820 26.496 -1.736 1.00 42.37 C ATOM 550 C ILE A 54 -8.538 25.704 -1.449 1.00 42.45 C ATOM 551 O ILE A 54 -8.216 24.768 -2.185 1.00 43.39 O ATOM 552 CB ILE A 54 -9.682 27.473 -2.944 1.00 42.51 C ATOM 553 CG1 ILE A 54 -10.038 26.743 -4.244 1.00 42.90 C ATOM 554 CG2 ILE A 54 -8.304 28.122 -3.023 1.00 42.55 C ATOM 555 CD1 ILE A 54 -11.460 26.193 -4.248 1.00 43.50 C ATOM 556 H ILE A 54 -10.347 28.175 -0.457 1.00 0.00 H ATOM 557 N PHE A 55 -7.834 26.060 -0.375 1.00 41.91 N ATOM 558 CA PHE A 55 -6.670 25.293 0.065 1.00 41.53 C ATOM 559 C PHE A 55 -7.051 23.866 0.487 1.00 41.35 C ATOM 560 O PHE A 55 -6.274 22.936 0.280 1.00 42.04 O ATOM 561 CB PHE A 55 -5.906 26.029 1.184 1.00 41.71 C ATOM 562 CG PHE A 55 -6.417 25.758 2.575 1.00 41.73 C ATOM 563 CD1 PHE A 55 -5.991 24.631 3.278 1.00 41.98 C ATOM 564 CD2 PHE A 55 -7.299 26.635 3.194 1.00 41.88 C ATOM 565 CE1 PHE A 55 -6.450 24.373 4.560 1.00 42.15 C ATOM 566 CE2 PHE A 55 -7.759 26.385 4.482 1.00 42.40 C ATOM 567 CZ PHE A 55 -7.332 25.254 5.167 1.00 42.54 C ATOM 568 H PHE A 55 -8.119 26.903 0.163 1.00 0.00 H ATOM 569 N MET A 56 -8.236 23.706 1.077 1.00 41.42 N ATOM 570 CA MET A 56 -8.736 22.389 1.503 1.00 41.34 C ATOM 571 C MET A 56 -9.014 21.498 0.301 1.00 41.28 C ATOM 572 O MET A 56 -8.600 20.336 0.268 1.00 41.19 O ATOM 573 CB MET A 56 -10.033 22.527 2.310 1.00 41.37 C ATOM 574 CG MET A 56 -9.891 23.256 3.632 1.00 41.17 C ATOM 575 SD MET A 56 -9.202 22.200 4.911 1.00 41.52 S ATOM 576 CE MET A 56 -10.670 21.353 5.477 1.00 41.65 C ATOM 577 H MET A 56 -8.830 24.544 1.242 1.00 0.00 H ATOM 578 N ASP A 57 -9.738 22.057 -0.669 1.00 41.06 N ATOM 579 CA ASP A 57 -10.075 21.358 -1.913 1.00 40.56 C ATOM 580 C ASP A 57 -8.834 20.941 -2.691 1.00 38.31 C ATOM 581 O ASP A 57 -8.780 19.833 -3.218 1.00 38.12 O ATOM 582 CB ASP A 57 -10.974 22.231 -2.806 1.00 41.88 C ATOM 583 CG ASP A 57 -12.427 22.249 -2.348 1.00 43.05 C ATOM 584 OD1 ASP A 57 -12.937 21.197 -1.897 1.00 43.28 O ATOM 585 OD2 ASP A 57 -13.067 23.319 -2.463 1.00 44.22 O ATOM 586 H ASP A 57 -10.078 23.031 -0.538 1.00 0.00 H ATOM 587 N ILE A 58 -7.849 21.833 -2.755 1.00 36.06 N ATOM 588 CA ILE A 58 -6.569 21.546 -3.403 1.00 34.85 C ATOM 589 C ILE A 58 -5.861 20.390 -2.694 1.00 34.00 C ATOM 590 O ILE A 58 -5.493 19.401 -3.328 1.00 33.65 O ATOM 591 CB ILE A 58 -5.674 22.810 -3.453 1.00 34.61 C ATOM 592 CG1 ILE A 58 -6.217 23.778 -4.514 1.00 34.72 C ATOM 593 CG2 ILE A 58 -4.224 22.459 -3.768 1.00 34.68 C ATOM 594 CD1 ILE A 58 -5.730 25.208 -4.388 1.00 34.76 C ATOM 595 H ILE A 58 -7.994 22.770 -2.328 1.00 0.00 H ATOM 596 N ALA A 59 -5.700 20.523 -1.380 1.00 33.35 N ATOM 597 CA ALA A 59 -5.033 19.509 -0.557 1.00 32.86 C ATOM 598 C ALA A 59 -5.695 18.142 -0.659 1.00 32.93 C ATOM 599 O ALA A 59 -5.005 17.122 -0.671 1.00 33.57 O ATOM 600 CB ALA A 59 -4.986 19.952 0.896 1.00 32.68 C ATOM 601 H ALA A 59 -6.062 21.381 -0.918 1.00 0.00 H ATOM 602 N PHE A 60 -7.024 18.120 -0.723 1.00 32.97 N ATOM 603 CA PHE A 60 -7.745 16.872 -0.946 1.00 32.73 C ATOM 604 C PHE A 60 -7.393 16.269 -2.300 1.00 32.99 C ATOM 605 O PHE A 60 -7.141 15.070 -2.386 1.00 32.94 O ATOM 606 CB PHE A 60 -9.261 17.055 -0.858 1.00 32.54 C ATOM 607 CG PHE A 60 -10.027 15.839 -1.296 1.00 32.32 C ATOM 608 CD1 PHE A 60 -10.303 14.814 -0.400 1.00 32.46 C ATOM 609 CD2 PHE A 60 -10.423 15.692 -2.621 1.00 32.24 C ATOM 610 CE1 PHE A 60 -10.985 13.677 -0.810 1.00 32.55 C ATOM 611 CE2 PHE A 60 -11.099 14.558 -3.037 1.00 32.41 C ATOM 612 CZ PHE A 60 -11.383 13.549 -2.131 1.00 32.62 C ATOM 613 H PHE A 60 -7.557 19.006 -0.612 1.00 0.00 H ATOM 614 N ILE A 61 -7.408 17.094 -3.349 1.00 33.40 N ATOM 615 CA ILE A 61 -7.134 16.625 -4.719 1.00 33.70 C ATOM 616 C ILE A 61 -5.717 16.075 -4.838 1.00 33.81 C ATOM 617 O ILE A 61 -5.499 15.037 -5.466 1.00 34.67 O ATOM 618 CB ILE A 61 -7.384 17.743 -5.769 1.00 34.02 C ATOM 619 CG1 ILE A 61 -8.892 18.004 -5.932 1.00 34.21 C ATOM 620 CG2 ILE A 61 -6.760 17.420 -7.129 1.00 34.18 C ATOM 621 CD1 ILE A 61 -9.726 16.825 -6.398 1.00 34.21 C ATOM 622 H ILE A 61 -7.620 18.100 -3.195 1.00 0.00 H ATOM 623 N GLU A 62 -4.771 16.780 -4.225 1.00 33.19 N ATOM 624 CA GLU A 62 -3.382 16.336 -4.147 1.00 32.56 C ATOM 625 C GLU A 62 -3.272 14.981 -3.459 1.00 33.14 C ATOM 626 O GLU A 62 -2.601 14.076 -3.954 1.00 34.04 O ATOM 627 CB GLU A 62 -2.540 17.381 -3.415 1.00 31.66 C ATOM 628 CG GLU A 62 -2.392 18.673 -4.208 1.00 31.04 C ATOM 629 CD GLU A 62 -1.756 19.803 -3.433 1.00 30.53 C ATOM 630 OE1 GLU A 62 -1.771 19.789 -2.184 1.00 30.13 O ATOM 631 OE2 GLU A 62 -1.228 20.720 -4.086 1.00 30.47 O ATOM 632 H GLU A 62 -5.031 17.685 -3.783 1.00 0.00 H ATOM 633 N TYR A 63 -3.957 14.848 -2.332 1.00 33.78 N ATOM 634 CA TYR A 63 -3.965 13.610 -1.561 1.00 34.89 C ATOM 635 C TYR A 63 -4.743 12.494 -2.262 1.00 36.33 C ATOM 636 O TYR A 63 -4.299 11.349 -2.271 1.00 37.03 O ATOM 637 CB TYR A 63 -4.547 13.878 -0.172 1.00 34.70 C ATOM 638 CG TYR A 63 -4.544 12.685 0.752 1.00 34.28 C ATOM 639 CD1 TYR A 63 -3.349 12.092 1.151 1.00 34.00 C ATOM 640 CD2 TYR A 63 -5.739 12.160 1.243 1.00 34.30 C ATOM 641 CE1 TYR A 63 -3.343 11.004 2.007 1.00 34.27 C ATOM 642 CE2 TYR A 63 -5.745 11.071 2.100 1.00 34.36 C ATOM 643 CZ TYR A 63 -4.547 10.496 2.477 1.00 34.46 C ATOM 644 OH TYR A 63 -4.553 9.414 3.324 1.00 35.20 O ATOM 645 HH TYR A 63 -3.622 9.124 3.494 1.00 0.00 H ATOM 646 H TYR A 63 -4.510 15.657 -1.984 1.00 0.00 H ATOM 647 N CYS A 64 -5.892 12.835 -2.847 1.00 38.10 N ATOM 648 CA CYS A 64 -6.752 11.867 -3.535 1.00 39.59 C ATOM 649 C CYS A 64 -6.058 11.227 -4.733 1.00 39.94 C ATOM 650 O CYS A 64 -6.106 10.008 -4.893 1.00 39.79 O ATOM 651 CB CYS A 64 -8.063 12.527 -3.986 1.00 40.40 C ATOM 652 SG CYS A 64 -9.267 11.401 -4.740 1.00 41.68 S ATOM 653 H CYS A 64 -6.191 13.831 -2.814 1.00 0.00 H ATOM 654 N PHE A 65 -5.400 12.050 -5.549 1.00 40.73 N ATOM 655 CA PHE A 65 -4.720 11.581 -6.763 1.00 41.68 C ATOM 656 C PHE A 65 -3.194 11.438 -6.626 1.00 41.63 C ATOM 657 O PHE A 65 -2.488 11.341 -7.634 1.00 41.37 O ATOM 658 CB PHE A 65 -5.113 12.474 -7.944 1.00 42.36 C ATOM 659 CG PHE A 65 -6.584 12.425 -8.254 1.00 43.07 C ATOM 660 CD1 PHE A 65 -7.136 11.311 -8.879 1.00 43.48 C ATOM 661 CD2 PHE A 65 -7.428 13.470 -7.889 1.00 43.76 C ATOM 662 CE1 PHE A 65 -8.495 11.250 -9.154 1.00 43.93 C ATOM 663 CE2 PHE A 65 -8.789 13.417 -8.162 1.00 43.51 C ATOM 664 CZ PHE A 65 -9.323 12.305 -8.794 1.00 43.80 C ATOM 665 H PHE A 65 -5.367 13.063 -5.317 1.00 0.00 H ATOM 666 N ASN A 66 -2.706 11.400 -5.380 1.00 41.92 N ATOM 667 CA ASN A 66 -1.300 11.134 -5.050 1.00 41.90 C ATOM 668 C ASN A 66 -0.330 11.939 -5.921 1.00 41.19 C ATOM 669 O ASN A 66 0.613 11.402 -6.506 1.00 40.55 O ATOM 670 CB ASN A 66 -1.036 9.625 -5.128 1.00 42.68 C ATOM 671 CG ASN A 66 0.206 9.207 -4.368 1.00 43.92 C ATOM 672 OD1 ASN A 66 0.151 8.900 -3.178 1.00 44.78 O ATOM 673 ND2 ASN A 66 1.330 9.192 -5.053 1.00 44.78 N ATOM 674 HD22 ASN A 66 1.330 9.459 -6.058 1.00 0.00 H ATOM 675 HD21 ASN A 66 2.218 8.913 -4.589 1.00 0.00 H ATOM 676 H ASN A 66 -3.366 11.570 -4.594 1.00 0.00 H ATOM 677 N LEU A 67 -0.585 13.244 -5.988 1.00 41.32 N ATOM 678 CA LEU A 67 0.057 14.116 -6.979 1.00 42.22 C ATOM 679 C LEU A 67 1.551 14.357 -6.762 1.00 43.43 C ATOM 680 O LEU A 67 2.242 14.769 -7.698 1.00 42.35 O ATOM 681 CB LEU A 67 -0.673 15.465 -7.084 1.00 41.92 C ATOM 682 CG LEU A 67 -2.093 15.505 -7.662 1.00 41.47 C ATOM 683 CD1 LEU A 67 -2.529 16.958 -7.775 1.00 41.53 C ATOM 684 CD2 LEU A 67 -2.216 14.823 -9.018 1.00 41.46 C ATOM 685 H LEU A 67 -1.261 13.659 -5.316 1.00 0.00 H ATOM 686 N SER A 68 2.045 14.107 -5.550 1.00 45.75 N ATOM 687 CA SER A 68 3.471 14.221 -5.251 1.00 48.33 C ATOM 688 C SER A 68 4.157 12.878 -5.478 1.00 52.06 C ATOM 689 O SER A 68 4.652 12.258 -4.533 1.00 53.23 O ATOM 690 CB SER A 68 3.681 14.709 -3.813 1.00 47.99 C ATOM 691 OG SER A 68 2.890 13.965 -2.906 1.00 47.50 O ATOM 692 HG SER A 68 3.142 13.009 -2.958 1.00 0.00 H ATOM 693 H SER A 68 1.394 13.821 -4.791 1.00 0.00 H ATOM 694 N LEU A 69 4.168 12.423 -6.734 1.00 56.76 N ATOM 695 CA LEU A 69 4.924 11.228 -7.113 1.00 59.62 C ATOM 696 C LEU A 69 5.594 11.369 -8.495 1.00 61.60 C ATOM 697 O LEU A 69 6.816 11.471 -8.542 1.00 62.88 O ATOM 698 CB LEU A 69 4.056 9.967 -6.993 1.00 60.27 C ATOM 699 CG LEU A 69 4.770 8.780 -6.314 1.00 61.62 C ATOM 700 CD1 LEU A 69 4.903 8.999 -4.804 1.00 61.29 C ATOM 701 CD2 LEU A 69 4.102 7.439 -6.612 1.00 61.91 C ATOM 702 H LEU A 69 3.625 12.931 -7.461 1.00 0.00 H ATOM 703 N ASP A 70 4.805 11.401 -9.579 1.00 62.96 N ATOM 704 CA ASP A 70 5.256 11.489 -11.012 1.00 64.62 C ATOM 705 C ASP A 70 4.988 10.210 -11.791 1.00 65.05 C ATOM 706 O ASP A 70 4.209 10.202 -12.747 1.00 65.52 O ATOM 707 CB ASP A 70 6.735 11.887 -11.232 1.00 65.11 C ATOM 708 CG ASP A 70 6.956 13.383 -11.145 1.00 65.03 C ATOM 709 OD1 ASP A 70 6.438 13.997 -10.194 1.00 66.31 O ATOM 710 OD2 ASP A 70 7.642 13.944 -12.030 1.00 63.95 O ATOM 711 H ASP A 70 3.779 11.361 -9.413 1.00 0.00 H TER 712 ASP A 70 ATOM 713 N PRO A 84 3.265 6.504 -9.962 1.00 98.57 N ATOM 714 CA PRO A 84 1.947 6.118 -10.414 1.00 99.86 C ATOM 715 C PRO A 84 1.921 4.737 -11.070 1.00101.74 C ATOM 716 O PRO A 84 2.224 4.581 -12.258 1.00101.78 O ATOM 717 CB PRO A 84 1.580 7.238 -11.389 1.00 98.64 C ATOM 718 CG PRO A 84 2.207 8.432 -10.775 1.00 97.72 C ATOM 719 CD PRO A 84 3.516 7.930 -10.217 1.00 97.76 C ATOM 720 HN2 PRO A 84 3.977 5.938 -10.467 1.00 0.00 H ATOM 721 HN1 PRO A 84 3.341 6.323 -8.941 1.00 0.00 H ATOM 722 N ASP A 85 1.554 3.749 -10.256 1.00103.42 N ATOM 723 CA ASP A 85 1.150 2.426 -10.733 1.00104.01 C ATOM 724 C ASP A 85 -0.289 2.445 -11.275 1.00102.45 C ATOM 725 O ASP A 85 -0.784 1.418 -11.741 1.00102.46 O ATOM 726 CB ASP A 85 1.236 1.407 -9.586 1.00105.25 C ATOM 727 CG ASP A 85 2.648 1.246 -9.046 1.00106.53 C ATOM 728 OD1 ASP A 85 3.555 0.913 -9.840 1.00106.88 O ATOM 729 OD2 ASP A 85 2.847 1.443 -7.827 1.00106.83 O ATOM 730 H ASP A 85 1.555 3.926 -9.231 1.00 0.00 H ATOM 731 N SER A 86 -0.942 3.615 -11.196 1.00101.16 N ATOM 732 CA SER A 86 -2.379 3.819 -11.424 1.00 99.49 C ATOM 733 C SER A 86 -3.269 3.344 -10.264 1.00 97.12 C ATOM 734 O SER A 86 -4.477 3.595 -10.285 1.00 96.26 O ATOM 735 CB SER A 86 -2.852 3.206 -12.753 1.00101.09 C ATOM 736 OG SER A 86 -3.137 1.819 -12.638 1.00101.25 O ATOM 737 HG SER A 86 -2.320 1.338 -12.352 1.00 0.00 H ATOM 738 H SER A 86 -0.379 4.454 -10.951 1.00 0.00 H ATOM 739 N GLN A 87 -2.676 2.705 -9.250 1.00 94.44 N ATOM 740 CA GLN A 87 -3.421 1.921 -8.260 1.00 92.03 C ATOM 741 C GLN A 87 -3.078 2.267 -6.795 1.00 86.27 C ATOM 742 O GLN A 87 -3.217 1.427 -5.900 1.00 85.58 O ATOM 743 CB GLN A 87 -3.211 0.428 -8.559 1.00 95.00 C ATOM 744 CG GLN A 87 -4.012 -0.055 -9.772 1.00 97.65 C ATOM 745 CD GLN A 87 -3.298 -1.086 -10.641 1.00 99.36 C ATOM 746 OE1 GLN A 87 -2.069 -1.194 -10.634 1.00101.09 O ATOM 747 NE2 GLN A 87 -4.076 -1.836 -11.420 1.00 99.22 N ATOM 748 HE22 GLN A 87 -5.108 -1.714 -11.396 1.00 0.00 H ATOM 749 HE21 GLN A 87 -3.651 -2.544 -12.052 1.00 0.00 H ATOM 750 H GLN A 87 -1.642 2.767 -9.160 1.00 0.00 H ATOM 751 N GLN A 88 -2.638 3.507 -6.563 1.00 79.42 N ATOM 752 CA GLN A 88 -2.587 4.099 -5.218 1.00 73.48 C ATOM 753 C GLN A 88 -3.875 4.896 -4.922 1.00 69.67 C ATOM 754 O GLN A 88 -4.138 5.262 -3.775 1.00 68.16 O ATOM 755 CB GLN A 88 -1.355 5.004 -5.094 1.00 72.37 C ATOM 756 CG GLN A 88 -0.872 5.243 -3.670 1.00 72.36 C ATOM 757 CD GLN A 88 -0.263 4.001 -3.031 1.00 72.35 C ATOM 758 OE1 GLN A 88 0.665 3.406 -3.579 1.00 71.03 O ATOM 759 NE2 GLN A 88 -0.774 3.611 -1.867 1.00 72.47 N ATOM 760 HE22 GLN A 88 -1.558 4.143 -1.439 1.00 0.00 H ATOM 761 HE21 GLN A 88 -0.389 2.774 -1.385 1.00 0.00 H ATOM 762 H GLN A 88 -2.317 4.079 -7.370 1.00 0.00 H ATOM 763 N ILE A 89 -4.664 5.151 -5.969 1.00 66.19 N ATOM 764 CA ILE A 89 -5.931 5.877 -5.892 1.00 63.15 C ATOM 765 C ILE A 89 -7.075 4.885 -5.700 1.00 63.27 C ATOM 766 O ILE A 89 -7.123 3.855 -6.377 1.00 65.43 O ATOM 767 CB ILE A 89 -6.163 6.666 -7.203 1.00 60.65 C ATOM 768 CG1 ILE A 89 -5.023 7.667 -7.430 1.00 59.34 C ATOM 769 CG2 ILE A 89 -7.500 7.404 -7.194 1.00 60.51 C ATOM 770 CD1 ILE A 89 -4.554 7.746 -8.864 1.00 59.17 C ATOM 771 H ILE A 89 -4.356 4.810 -6.902 1.00 0.00 H ATOM 772 N LEU A 90 -7.995 5.203 -4.789 1.00 61.97 N ATOM 773 CA LEU A 90 -9.217 4.414 -4.606 1.00 60.55 C ATOM 774 C LEU A 90 -10.236 4.853 -5.650 1.00 59.89 C ATOM 775 O LEU A 90 -10.721 5.983 -5.601 1.00 59.61 O ATOM 776 CB LEU A 90 -9.787 4.602 -3.195 1.00 60.11 C ATOM 777 CG LEU A 90 -11.124 3.933 -2.844 1.00 60.18 C ATOM 778 CD1 LEU A 90 -11.032 2.416 -2.888 1.00 60.26 C ATOM 779 CD2 LEU A 90 -11.591 4.383 -1.469 1.00 60.78 C ATOM 780 H LEU A 90 -7.841 6.038 -4.189 1.00 0.00 H ATOM 781 N TRP A 91 -10.563 3.960 -6.583 1.00 59.62 N ATOM 782 CA TRP A 91 -11.514 4.258 -7.660 1.00 58.67 C ATOM 783 C TRP A 91 -12.936 3.798 -7.306 1.00 59.94 C ATOM 784 O TRP A 91 -13.528 2.969 -7.994 1.00 59.46 O ATOM 785 CB TRP A 91 -11.025 3.641 -8.975 1.00 57.12 C ATOM 786 CG TRP A 91 -9.756 4.264 -9.466 1.00 54.94 C ATOM 787 CD1 TRP A 91 -8.487 3.795 -9.292 1.00 53.89 C ATOM 788 CD2 TRP A 91 -9.636 5.486 -10.200 1.00 53.69 C ATOM 789 NE1 TRP A 91 -7.581 4.646 -9.881 1.00 53.09 N ATOM 790 CE2 TRP A 91 -8.261 5.693 -10.446 1.00 52.75 C ATOM 791 CE3 TRP A 91 -10.559 6.427 -10.678 1.00 53.24 C ATOM 792 CZ2 TRP A 91 -7.783 6.805 -11.149 1.00 52.34 C ATOM 793 CZ3 TRP A 91 -10.083 7.535 -11.379 1.00 52.82 C ATOM 794 CH2 TRP A 91 -8.706 7.712 -11.606 1.00 52.34 C ATOM 795 HE1 TRP A 91 -6.549 4.516 -9.895 1.00 0.00 H ATOM 796 H TRP A 91 -10.128 3.016 -6.547 1.00 0.00 H ATOM 797 N GLU A 92 -13.465 4.359 -6.219 1.00 62.49 N ATOM 798 CA GLU A 92 -14.847 4.148 -5.784 1.00 64.62 C ATOM 799 C GLU A 92 -15.687 5.314 -6.307 1.00 65.53 C ATOM 800 O GLU A 92 -15.229 6.458 -6.301 1.00 65.50 O ATOM 801 CB GLU A 92 -14.905 4.082 -4.253 1.00 66.30 C ATOM 802 CG GLU A 92 -16.274 3.788 -3.655 1.00 68.36 C ATOM 803 CD GLU A 92 -16.288 3.953 -2.144 1.00 69.99 C ATOM 804 OE1 GLU A 92 -15.466 3.299 -1.465 1.00 70.73 O ATOM 805 OE2 GLU A 92 -17.120 4.734 -1.632 1.00 70.72 O ATOM 806 H GLU A 92 -12.861 4.983 -5.647 1.00 0.00 H ATOM 807 N TYR A 93 -16.906 5.017 -6.763 1.00 67.48 N ATOM 808 CA TYR A 93 -17.795 6.025 -7.372 1.00 68.31 C ATOM 809 C TYR A 93 -18.120 7.185 -6.431 1.00 67.56 C ATOM 810 O TYR A 93 -17.981 8.353 -6.806 1.00 66.74 O ATOM 811 CB TYR A 93 -19.106 5.385 -7.863 1.00 70.22 C ATOM 812 CG TYR A 93 -20.227 6.389 -8.080 1.00 72.66 C ATOM 813 CD1 TYR A 93 -20.186 7.303 -9.139 1.00 74.00 C ATOM 814 CD2 TYR A 93 -21.313 6.451 -7.202 1.00 73.03 C ATOM 815 CE1 TYR A 93 -21.202 8.236 -9.320 1.00 74.82 C ATOM 816 CE2 TYR A 93 -22.329 7.380 -7.378 1.00 74.06 C ATOM 817 CZ TYR A 93 -22.270 8.268 -8.437 1.00 74.92 C ATOM 818 OH TYR A 93 -23.275 9.189 -8.612 1.00 77.59 O ATOM 819 HH TYR A 93 -23.079 9.742 -9.409 1.00 0.00 H ATOM 820 H TYR A 93 -17.243 4.036 -6.686 1.00 0.00 H ATOM 821 N SER A 94 -18.569 6.844 -5.225 1.00 66.48 N ATOM 822 CA SER A 94 -18.963 7.828 -4.208 1.00 65.75 C ATOM 823 C SER A 94 -17.875 8.880 -3.940 1.00 64.31 C ATOM 824 O SER A 94 -18.172 10.069 -3.812 1.00 63.92 O ATOM 825 CB SER A 94 -19.336 7.103 -2.909 1.00 66.77 C ATOM 826 OG SER A 94 -19.607 8.011 -1.854 1.00 68.68 O ATOM 827 HG SER A 94 -19.843 7.505 -1.037 1.00 0.00 H ATOM 828 H SER A 94 -18.644 5.833 -4.992 1.00 0.00 H ATOM 829 N LEU A 95 -16.625 8.425 -3.874 1.00 62.42 N ATOM 830 CA LEU A 95 -15.466 9.292 -3.621 1.00 59.99 C ATOM 831 C LEU A 95 -15.074 10.139 -4.838 1.00 57.45 C ATOM 832 O LEU A 95 -14.868 11.348 -4.709 1.00 58.14 O ATOM 833 CB LEU A 95 -14.271 8.441 -3.162 1.00 60.28 C ATOM 834 CG LEU A 95 -12.853 9.028 -3.160 1.00 60.45 C ATOM 835 CD1 LEU A 95 -12.677 10.055 -2.054 1.00 60.56 C ATOM 836 CD2 LEU A 95 -11.837 7.912 -3.004 1.00 60.92 C ATOM 837 H LEU A 95 -16.461 7.407 -4.008 1.00 0.00 H ATOM 838 N ILE A 96 -14.956 9.501 -6.002 1.00 53.78 N ATOM 839 CA ILE A 96 -14.459 10.171 -7.217 1.00 51.80 C ATOM 840 C ILE A 96 -15.443 11.235 -7.746 1.00 50.88 C ATOM 841 O ILE A 96 -15.017 12.251 -8.302 1.00 50.63 O ATOM 842 CB ILE A 96 -14.086 9.145 -8.322 1.00 51.31 C ATOM 843 CG1 ILE A 96 -12.925 8.233 -7.860 1.00 51.65 C ATOM 844 CG2 ILE A 96 -13.726 9.836 -9.636 1.00 51.15 C ATOM 845 CD1 ILE A 96 -11.536 8.853 -7.878 1.00 51.27 C ATOM 846 H ILE A 96 -15.223 8.497 -6.055 1.00 0.00 H ATOM 847 N SER A 97 -16.746 10.999 -7.578 1.00 50.07 N ATOM 848 CA SER A 97 -17.769 12.016 -7.872 1.00 49.39 C ATOM 849 C SER A 97 -17.504 13.286 -7.067 1.00 48.69 C ATOM 850 O SER A 97 -17.447 14.384 -7.621 1.00 48.27 O ATOM 851 CB SER A 97 -19.176 11.486 -7.556 1.00 49.27 C ATOM 852 OG SER A 97 -20.143 12.528 -7.552 1.00 48.72 O ATOM 853 HG SER A 97 -21.034 12.149 -7.345 1.00 0.00 H ATOM 854 H SER A 97 -17.048 10.067 -7.228 1.00 0.00 H ATOM 855 N ASN A 98 -17.329 13.109 -5.760 1.00 47.41 N ATOM 856 CA ASN A 98 -17.033 14.213 -4.849 1.00 47.19 C ATOM 857 C ASN A 98 -15.682 14.857 -5.161 1.00 46.16 C ATOM 858 O ASN A 98 -15.537 16.076 -5.074 1.00 46.58 O ATOM 859 CB ASN A 98 -17.066 13.732 -3.392 1.00 48.24 C ATOM 860 CG ASN A 98 -18.419 13.163 -2.986 1.00 49.25 C ATOM 861 OD1 ASN A 98 -19.421 13.333 -3.688 1.00 50.58 O ATOM 862 ND2 ASN A 98 -18.451 12.472 -1.851 1.00 49.28 N ATOM 863 HD22 ASN A 98 -17.583 12.353 -1.290 1.00 0.00 H ATOM 864 HD21 ASN A 98 -19.344 12.050 -1.524 1.00 0.00 H ATOM 865 H ASN A 98 -17.406 12.147 -5.371 1.00 0.00 H ATOM 866 N ALA A 99 -14.702 14.033 -5.534 1.00 44.23 N ATOM 867 CA ALA A 99 -13.402 14.527 -5.991 1.00 42.73 C ATOM 868 C ALA A 99 -13.538 15.463 -7.191 1.00 41.36 C ATOM 869 O ALA A 99 -12.923 16.525 -7.223 1.00 41.10 O ATOM 870 CB ALA A 99 -12.481 13.365 -6.328 1.00 43.14 C ATOM 871 H ALA A 99 -14.867 13.007 -5.499 1.00 0.00 H ATOM 872 N LEU A 100 -14.357 15.069 -8.163 1.00 40.59 N ATOM 873 CA LEU A 100 -14.659 15.920 -9.325 1.00 40.02 C ATOM 874 C LEU A 100 -15.404 17.203 -8.952 1.00 39.40 C ATOM 875 O LEU A 100 -15.154 18.254 -9.545 1.00 38.71 O ATOM 876 CB LEU A 100 -15.472 15.146 -10.361 1.00 39.86 C ATOM 877 CG LEU A 100 -14.668 14.111 -11.145 1.00 40.00 C ATOM 878 CD1 LEU A 100 -15.542 12.939 -11.560 1.00 40.40 C ATOM 879 CD2 LEU A 100 -14.017 14.762 -12.356 1.00 40.22 C ATOM 880 H LEU A 100 -14.798 14.129 -8.099 1.00 0.00 H ATOM 881 N GLU A 101 -16.321 17.102 -7.988 1.00 39.26 N ATOM 882 CA GLU A 101 -17.039 18.267 -7.465 1.00 39.62 C ATOM 883 C GLU A 101 -16.074 19.270 -6.846 1.00 38.41 C ATOM 884 O GLU A 101 -16.139 20.462 -7.140 1.00 37.57 O ATOM 885 CB GLU A 101 -18.093 17.856 -6.426 1.00 41.24 C ATOM 886 CG GLU A 101 -19.319 17.177 -7.014 1.00 42.91 C ATOM 887 CD GLU A 101 -20.418 16.933 -5.994 1.00 44.26 C ATOM 888 OE1 GLU A 101 -20.858 15.768 -5.850 1.00 45.34 O ATOM 889 OE2 GLU A 101 -20.847 17.907 -5.339 1.00 44.94 O ATOM 890 H GLU A 101 -16.534 16.163 -7.594 1.00 0.00 H ATOM 891 N ARG A 102 -15.177 18.775 -5.996 1.00 37.91 N ATOM 892 CA ARG A 102 -14.154 19.621 -5.369 1.00 37.71 C ATOM 893 C ARG A 102 -13.198 20.208 -6.405 1.00 37.71 C ATOM 894 O ARG A 102 -12.845 21.381 -6.321 1.00 37.11 O ATOM 895 CB ARG A 102 -13.383 18.847 -4.297 1.00 37.27 C ATOM 896 CG ARG A 102 -14.253 18.434 -3.120 1.00 36.76 C ATOM 897 CD ARG A 102 -13.450 17.817 -1.996 1.00 36.30 C ATOM 898 NE ARG A 102 -14.335 17.282 -0.963 1.00 36.26 N ATOM 899 CZ ARG A 102 -14.752 16.015 -0.865 1.00 36.88 C ATOM 900 NH1 ARG A 102 -14.371 15.075 -1.733 1.00 36.56 N ATOM 901 NH2 ARG A 102 -15.568 15.677 0.133 1.00 37.44 N ATOM 902 HE ARG A 102 -14.671 17.947 -0.238 1.00 0.00 H ATOM 903 HH12 ARG A 102 -14.715 14.099 -1.627 1.00 0.00 H ATOM 904 HH11 ARG A 102 -13.731 15.319 -2.515 1.00 0.00 H ATOM 905 HH22 ARG A 102 -15.901 14.696 0.223 1.00 0.00 H ATOM 906 HH21 ARG A 102 -15.872 16.394 0.822 1.00 0.00 H ATOM 907 H ARG A 102 -15.202 17.760 -5.770 1.00 0.00 H ATOM 908 N LEU A 103 -12.805 19.402 -7.392 1.00 38.16 N ATOM 909 CA LEU A 103 -12.012 19.901 -8.519 1.00 39.07 C ATOM 910 C LEU A 103 -12.744 21.011 -9.281 1.00 40.84 C ATOM 911 O LEU A 103 -12.138 22.015 -9.659 1.00 41.00 O ATOM 912 CB LEU A 103 -11.628 18.770 -9.477 1.00 38.66 C ATOM 913 CG LEU A 103 -10.555 19.140 -10.513 1.00 38.82 C ATOM 914 CD1 LEU A 103 -9.188 19.338 -9.869 1.00 38.91 C ATOM 915 CD2 LEU A 103 -10.476 18.090 -11.608 1.00 38.88 C ATOM 916 H LEU A 103 -13.067 18.396 -7.361 1.00 0.00 H ATOM 917 N GLU A 104 -14.043 20.813 -9.494 1.00 43.55 N ATOM 918 CA GLU A 104 -14.918 21.819 -10.114 1.00 45.56 C ATOM 919 C GLU A 104 -14.946 23.142 -9.324 1.00 45.20 C ATOM 920 O GLU A 104 -14.912 24.220 -9.923 1.00 43.74 O ATOM 921 CB GLU A 104 -16.335 21.249 -10.257 1.00 47.74 C ATOM 922 CG GLU A 104 -17.236 21.939 -11.263 1.00 49.67 C ATOM 923 CD GLU A 104 -18.664 21.432 -11.168 1.00 51.24 C ATOM 924 OE1 GLU A 104 -19.315 21.697 -10.132 1.00 52.40 O ATOM 925 OE2 GLU A 104 -19.133 20.764 -12.116 1.00 52.31 O ATOM 926 H GLU A 104 -14.459 19.904 -9.208 1.00 0.00 H ATOM 927 N ASN A 105 -14.989 23.048 -7.993 1.00 45.22 N ATOM 928 CA ASN A 105 -14.939 24.233 -7.117 1.00 46.16 C ATOM 929 C ASN A 105 -13.665 25.056 -7.304 1.00 46.08 C ATOM 930 O ASN A 105 -13.713 26.288 -7.321 1.00 45.18 O ATOM 931 CB ASN A 105 -15.033 23.847 -5.635 1.00 47.55 C ATOM 932 CG ASN A 105 -16.287 23.065 -5.297 1.00 49.13 C ATOM 933 OD1 ASN A 105 -17.238 23.016 -6.077 1.00 50.77 O ATOM 934 ND2 ASN A 105 -16.292 22.443 -4.121 1.00 50.50 N ATOM 935 HD22 ASN A 105 -15.466 22.512 -3.493 1.00 0.00 H ATOM 936 HD21 ASN A 105 -17.122 21.888 -3.830 1.00 0.00 H ATOM 937 H ASN A 105 -15.060 22.106 -7.559 1.00 0.00 H ATOM 938 N ILE A 106 -12.535 24.358 -7.445 1.00 45.66 N ATOM 939 CA ILE A 106 -11.219 24.998 -7.608 1.00 45.46 C ATOM 940 C ILE A 106 -11.196 25.786 -8.913 1.00 46.60 C ATOM 941 O ILE A 106 -10.733 26.927 -8.943 1.00 46.23 O ATOM 942 CB ILE A 106 -10.038 23.983 -7.559 1.00 44.49 C ATOM 943 CG1 ILE A 106 -10.069 23.118 -6.286 1.00 43.63 C ATOM 944 CG2 ILE A 106 -8.697 24.714 -7.581 1.00 44.15 C ATOM 945 CD1 ILE A 106 -9.333 21.800 -6.423 1.00 42.94 C ATOM 946 H ILE A 106 -12.587 23.319 -7.439 1.00 0.00 H ATOM 947 N GLU A 107 -11.721 25.175 -9.973 1.00 48.19 N ATOM 948 CA GLU A 107 -11.777 25.799 -11.291 1.00 49.65 C ATOM 949 C GLU A 107 -12.715 27.011 -11.331 1.00 50.24 C ATOM 950 O GLU A 107 -12.344 28.048 -11.887 1.00 50.05 O ATOM 951 CB GLU A 107 -12.172 24.749 -12.341 1.00 50.79 C ATOM 952 CG GLU A 107 -12.246 25.220 -13.794 1.00 52.14 C ATOM 953 CD GLU A 107 -11.082 26.093 -14.231 1.00 53.22 C ATOM 954 OE1 GLU A 107 -9.925 25.804 -13.857 1.00 54.38 O ATOM 955 OE2 GLU A 107 -11.322 27.078 -14.962 1.00 53.77 O ATOM 956 H GLU A 107 -12.106 24.216 -9.857 1.00 0.00 H ATOM 957 N LEU A 108 -13.909 26.887 -10.740 1.00 50.66 N ATOM 958 CA LEU A 108 -14.838 28.025 -10.616 1.00 50.92 C ATOM 959 C LEU A 108 -14.221 29.152 -9.788 1.00 51.13 C ATOM 960 O LEU A 108 -14.245 30.312 -10.202 1.00 50.49 O ATOM 961 CB LEU A 108 -16.177 27.610 -9.986 1.00 51.87 C ATOM 962 CG LEU A 108 -17.149 26.669 -10.724 1.00 53.16 C ATOM 963 CD1 LEU A 108 -18.458 26.577 -9.948 1.00 52.48 C ATOM 964 CD2 LEU A 108 -17.432 27.080 -12.164 1.00 53.70 C ATOM 965 H LEU A 108 -14.190 25.962 -10.357 1.00 0.00 H ATOM 966 N GLU A 109 -13.677 28.800 -8.624 1.00 52.62 N ATOM 967 CA GLU A 109 -12.968 29.751 -7.751 1.00 53.75 C ATOM 968 C GLU A 109 -11.812 30.446 -8.475 1.00 53.71 C ATOM 969 O GLU A 109 -11.561 31.630 -8.254 1.00 53.04 O ATOM 970 CB GLU A 109 -12.433 29.032 -6.506 1.00 55.48 C ATOM 971 CG GLU A 109 -11.863 29.942 -5.424 1.00 57.34 C ATOM 972 CD GLU A 109 -12.944 30.600 -4.594 1.00 58.64 C ATOM 973 OE1 GLU A 109 -13.203 31.808 -4.792 1.00 59.30 O ATOM 974 OE2 GLU A 109 -13.542 29.900 -3.752 1.00 59.58 O ATOM 975 H GLU A 109 -13.757 27.809 -8.318 1.00 0.00 H ATOM 976 N ARG A 110 -11.112 29.699 -9.326 1.00 54.37 N ATOM 977 CA ARG A 110 -10.025 30.246 -10.140 1.00 55.00 C ATOM 978 C ARG A 110 -10.568 31.259 -11.150 1.00 55.60 C ATOM 979 O ARG A 110 -10.089 32.390 -11.210 1.00 54.73 O ATOM 980 CB ARG A 110 -9.285 29.114 -10.858 1.00 54.81 C ATOM 981 CG ARG A 110 -7.984 29.515 -11.535 1.00 54.28 C ATOM 982 CD ARG A 110 -7.562 28.471 -12.558 1.00 54.06 C ATOM 983 NE ARG A 110 -8.499 28.379 -13.678 1.00 53.76 N ATOM 984 CZ ARG A 110 -8.607 29.258 -14.676 1.00 54.12 C ATOM 985 NH1 ARG A 110 -7.832 30.340 -14.729 1.00 53.85 N ATOM 986 NH2 ARG A 110 -9.508 29.059 -15.638 1.00 54.29 N ATOM 987 HE ARG A 110 -9.136 27.557 -13.698 1.00 0.00 H ATOM 988 HH12 ARG A 110 -7.932 31.013 -15.515 1.00 0.00 H ATOM 989 HH11 ARG A 110 -7.127 30.512 -13.984 1.00 0.00 H ATOM 990 HH22 ARG A 110 -9.596 29.742 -16.418 1.00 0.00 H ATOM 991 HH21 ARG A 110 -10.123 28.221 -15.609 1.00 0.00 H ATOM 992 H ARG A 110 -11.346 28.690 -9.416 1.00 0.00 H ATOM 993 N GLN A 111 -11.574 30.839 -11.919 1.00 56.84 N ATOM 994 CA GLN A 111 -12.244 31.697 -12.913 1.00 57.56 C ATOM 995 C GLN A 111 -12.819 32.984 -12.330 1.00 58.75 C ATOM 996 O GLN A 111 -12.654 34.056 -12.911 1.00 58.18 O ATOM 997 CB GLN A 111 -13.380 30.938 -13.598 1.00 57.42 C ATOM 998 CG GLN A 111 -12.924 29.971 -14.666 1.00 57.94 C ATOM 999 CD GLN A 111 -14.094 29.341 -15.396 1.00 59.41 C ATOM 1000 OE1 GLN A 111 -14.278 29.557 -16.595 1.00 60.81 O ATOM 1001 NE2 GLN A 111 -14.905 28.573 -14.672 1.00 59.61 N ATOM 1002 HE22 GLN A 111 -14.711 28.418 -13.662 1.00 0.00 H ATOM 1003 HE21 GLN A 111 -15.733 28.128 -15.116 1.00 0.00 H ATOM 1004 H GLN A 111 -11.902 29.858 -11.812 1.00 0.00 H ATOM 1005 N ASN A 112 -13.513 32.859 -11.201 1.00 61.63 N ATOM 1006 CA ASN A 112 -14.108 34.013 -10.518 1.00 65.20 C ATOM 1007 C ASN A 112 -13.068 35.037 -10.085 1.00 67.44 C ATOM 1008 O ASN A 112 -13.189 36.226 -10.388 1.00 68.83 O ATOM 1009 CB ASN A 112 -14.924 33.565 -9.299 1.00 66.28 C ATOM 1010 CG ASN A 112 -16.334 33.145 -9.668 1.00 68.08 C ATOM 1011 OD1 ASN A 112 -17.176 33.991 -9.968 1.00 70.12 O ATOM 1012 ND2 ASN A 112 -16.602 31.844 -9.647 1.00 69.38 N ATOM 1013 HD22 ASN A 112 -15.859 31.164 -9.387 1.00 0.00 H ATOM 1014 HD21 ASN A 112 -17.555 31.505 -9.890 1.00 0.00 H ATOM 1015 H ASN A 112 -13.638 31.912 -10.790 1.00 0.00 H ATOM 1016 N CYS A 113 -12.047 34.556 -9.385 1.00 69.95 N ATOM 1017 CA CYS A 113 -10.982 35.412 -8.873 1.00 71.68 C ATOM 1018 C CYS A 113 -10.135 36.061 -9.976 1.00 72.93 C ATOM 1019 O CYS A 113 -9.618 37.161 -9.783 1.00 72.19 O ATOM 1020 CB CYS A 113 -10.095 34.617 -7.915 1.00 72.03 C ATOM 1021 SG CYS A 113 -10.957 34.042 -6.436 1.00 73.74 S ATOM 1022 H CYS A 113 -12.005 33.534 -9.195 1.00 0.00 H ATOM 1023 N MET A 114 -10.008 35.386 -11.121 1.00 76.28 N ATOM 1024 CA MET A 114 -9.220 35.896 -12.258 1.00 80.26 C ATOM 1025 C MET A 114 -9.771 37.167 -12.900 1.00 85.38 C ATOM 1026 O MET A 114 -8.996 37.994 -13.391 1.00 87.13 O ATOM 1027 CB MET A 114 -9.044 34.819 -13.343 1.00 79.48 C ATOM 1028 CG MET A 114 -7.942 33.804 -13.062 1.00 79.19 C ATOM 1029 SD MET A 114 -6.264 34.461 -13.166 1.00 78.32 S ATOM 1030 CE MET A 114 -5.943 34.822 -11.442 1.00 76.78 C ATOM 1031 H MET A 114 -10.483 34.466 -11.214 1.00 0.00 H ATOM 1032 N ARG A 115 -11.093 37.315 -12.905 1.00 90.28 N ATOM 1033 CA ARG A 115 -11.732 38.496 -13.493 1.00 92.87 C ATOM 1034 C ARG A 115 -11.306 39.794 -12.792 1.00 94.15 C ATOM 1035 O ARG A 115 -11.013 40.799 -13.463 1.00 94.31 O ATOM 1036 CB ARG A 115 -13.255 38.337 -13.489 1.00 94.44 C ATOM 1037 CG ARG A 115 -13.715 37.208 -14.404 1.00 96.31 C ATOM 1038 CD ARG A 115 -15.227 37.121 -14.566 1.00 98.49 C ATOM 1039 NE ARG A 115 -15.612 36.815 -15.949 1.00100.44 N ATOM 1040 CZ ARG A 115 -16.867 36.745 -16.402 1.00100.86 C ATOM 1041 NH1 ARG A 115 -17.907 36.939 -15.591 1.00101.17 N ATOM 1042 NH2 ARG A 115 -17.086 36.469 -17.686 1.00 99.89 N ATOM 1043 HE ARG A 115 -14.847 36.639 -16.631 1.00 0.00 H ATOM 1044 HH12 ARG A 115 -18.876 36.880 -15.965 1.00 0.00 H ATOM 1045 HH11 ARG A 115 -17.750 37.149 -14.585 1.00 0.00 H ATOM 1046 HH22 ARG A 115 -18.060 36.413 -18.047 1.00 0.00 H ATOM 1047 HH21 ARG A 115 -16.283 36.310 -18.328 1.00 0.00 H ATOM 1048 H ARG A 115 -11.688 36.575 -12.481 1.00 0.00 H ATOM 1049 N GLU A 116 -11.243 39.754 -11.457 1.00 94.77 N ATOM 1050 CA GLU A 116 -10.840 40.912 -10.647 1.00 95.72 C ATOM 1051 C GLU A 116 -9.350 41.212 -10.818 1.00 94.84 C ATOM 1052 O GLU A 116 -8.945 41.925 -11.737 1.00 94.05 O ATOM 1053 CB GLU A 116 -11.125 40.664 -9.158 1.00 97.17 C ATOM 1054 CG GLU A 116 -12.569 40.295 -8.817 1.00 97.53 C ATOM 1055 CD GLU A 116 -12.669 39.303 -7.669 1.00 97.18 C ATOM 1056 OE1 GLU A 116 -12.324 39.674 -6.528 1.00 96.83 O ATOM 1057 OE2 GLU A 116 -13.100 38.154 -7.907 1.00 96.96 O ATOM 1058 H GLU A 116 -11.489 38.867 -10.972 1.00 0.00 H TER 1059 GLU A 116 ATOM 1060 N ASN A 129 1.256 37.500 -19.659 1.00 67.00 N ATOM 1061 CA ASN A 129 1.299 36.104 -19.221 1.00 66.28 C ATOM 1062 C ASN A 129 -0.003 35.594 -18.591 1.00 66.60 C ATOM 1063 O ASN A 129 -0.266 34.389 -18.624 1.00 67.33 O ATOM 1064 CB ASN A 129 2.484 35.870 -18.263 1.00 65.68 C ATOM 1065 CG ASN A 129 2.436 36.744 -17.012 1.00 64.46 C ATOM 1066 OD1 ASN A 129 1.526 37.555 -16.820 1.00 62.64 O ATOM 1067 ND2 ASN A 129 3.434 36.579 -16.150 1.00 63.58 N ATOM 1068 HD22 ASN A 129 4.183 35.885 -16.348 1.00 0.00 H ATOM 1069 HD21 ASN A 129 3.466 37.144 -15.278 1.00 0.00 H ATOM 1070 HN3 ASN A 129 1.055 38.112 -18.843 1.00 0.00 H ATOM 1071 HN2 ASN A 129 0.509 37.615 -20.373 1.00 0.00 H ATOM 1072 HN1 ASN A 129 2.174 37.761 -20.071 1.00 0.00 H ATOM 1073 N LYS A 130 -0.799 36.505 -18.018 1.00 66.45 N ATOM 1074 CA LYS A 130 -2.088 36.162 -17.388 1.00 65.16 C ATOM 1075 C LYS A 130 -3.031 35.396 -18.320 1.00 65.13 C ATOM 1076 O LYS A 130 -3.739 34.493 -17.873 1.00 63.66 O ATOM 1077 CB LYS A 130 -2.798 37.421 -16.868 1.00 63.87 C ATOM 1078 CG LYS A 130 -4.033 37.122 -16.028 1.00 63.22 C ATOM 1079 CD LYS A 130 -4.668 38.374 -15.448 1.00 62.87 C ATOM 1080 CE LYS A 130 -6.062 38.071 -14.917 1.00 62.50 C ATOM 1081 NZ LYS A 130 -6.528 39.082 -13.929 1.00 63.08 N ATOM 1082 HZ1 LYS A 130 -5.874 39.102 -13.121 1.00 0.00 H ATOM 1083 HZ2 LYS A 130 -6.553 40.019 -14.379 1.00 0.00 H ATOM 1084 HZ3 LYS A 130 -7.481 38.829 -13.599 1.00 0.00 H ATOM 1085 H LYS A 130 -0.495 37.500 -18.017 1.00 0.00 H ATOM 1086 N GLU A 131 -3.047 35.774 -19.598 1.00 67.23 N ATOM 1087 CA GLU A 131 -3.809 35.046 -20.618 1.00 69.37 C ATOM 1088 C GLU A 131 -3.337 33.598 -20.724 1.00 68.18 C ATOM 1089 O GLU A 131 -4.156 32.683 -20.753 1.00 67.75 O ATOM 1090 CB GLU A 131 -3.697 35.734 -21.986 1.00 72.35 C ATOM 1091 CG GLU A 131 -4.496 37.025 -22.104 1.00 73.92 C ATOM 1092 CD GLU A 131 -4.172 37.801 -23.370 1.00 75.67 C ATOM 1093 OE1 GLU A 131 -3.675 38.942 -23.258 1.00 76.54 O ATOM 1094 OE2 GLU A 131 -4.404 37.268 -24.477 1.00 77.14 O ATOM 1095 H GLU A 131 -2.501 36.613 -19.881 1.00 0.00 H ATOM 1096 N THR A 132 -2.017 33.405 -20.763 1.00 67.64 N ATOM 1097 CA THR A 132 -1.407 32.070 -20.838 1.00 66.80 C ATOM 1098 C THR A 132 -1.748 31.209 -19.617 1.00 65.57 C ATOM 1099 O THR A 132 -2.182 30.066 -19.762 1.00 63.04 O ATOM 1100 CB THR A 132 0.133 32.154 -20.962 1.00 67.28 C ATOM 1101 OG1 THR A 132 0.500 33.314 -21.723 1.00 68.42 O ATOM 1102 CG2 THR A 132 0.691 30.904 -21.637 1.00 66.98 C ATOM 1103 HG1 THR A 132 1.486 33.360 -21.797 1.00 0.00 H ATOM 1104 H THR A 132 -1.392 34.236 -20.739 1.00 0.00 H ATOM 1105 N LEU A 133 -1.552 31.773 -18.425 1.00 65.31 N ATOM 1106 CA LEU A 133 -1.843 31.071 -17.164 1.00 65.20 C ATOM 1107 C LEU A 133 -3.319 30.694 -17.010 1.00 65.46 C ATOM 1108 O LEU A 133 -3.633 29.617 -16.496 1.00 65.97 O ATOM 1109 CB LEU A 133 -1.396 31.903 -15.952 1.00 64.93 C ATOM 1110 CG LEU A 133 0.102 32.003 -15.631 1.00 64.66 C ATOM 1111 CD1 LEU A 133 0.296 32.857 -14.386 1.00 63.74 C ATOM 1112 CD2 LEU A 133 0.749 30.637 -15.436 1.00 64.32 C ATOM 1113 H LEU A 133 -1.180 32.743 -18.384 1.00 0.00 H ATOM 1114 N ASN A 134 -4.210 31.581 -17.448 1.00 65.49 N ATOM 1115 CA ASN A 134 -5.646 31.300 -17.469 1.00 64.76 C ATOM 1116 C ASN A 134 -5.979 30.203 -18.484 1.00 64.12 C ATOM 1117 O ASN A 134 -6.624 29.210 -18.141 1.00 63.80 O ATOM 1118 CB ASN A 134 -6.432 32.581 -17.782 1.00 65.46 C ATOM 1119 CG ASN A 134 -7.903 32.474 -17.422 1.00 66.55 C ATOM 1120 OD1 ASN A 134 -8.314 32.911 -16.347 1.00 68.70 O ATOM 1121 ND2 ASN A 134 -8.701 31.886 -18.307 1.00 66.55 N ATOM 1122 HD22 ASN A 134 -8.311 31.531 -19.203 1.00 0.00 H ATOM 1123 HD21 ASN A 134 -9.715 31.781 -18.103 1.00 0.00 H ATOM 1124 H ASN A 134 -3.874 32.505 -17.787 1.00 0.00 H ATOM 1125 N ASN A 135 -5.519 30.392 -19.722 1.00 63.88 N ATOM 1126 CA ASN A 135 -5.771 29.447 -20.826 1.00 64.64 C ATOM 1127 C ASN A 135 -5.201 28.048 -20.597 1.00 64.02 C ATOM 1128 O ASN A 135 -5.796 27.055 -21.020 1.00 62.35 O ATOM 1129 CB ASN A 135 -5.221 29.994 -22.154 1.00 65.41 C ATOM 1130 CG ASN A 135 -5.927 31.263 -22.616 1.00 65.03 C ATOM 1131 OD1 ASN A 135 -7.117 31.460 -22.366 1.00 64.79 O ATOM 1132 ND2 ASN A 135 -5.186 32.136 -23.294 1.00 65.16 N ATOM 1133 HD22 ASN A 135 -4.184 31.931 -23.484 1.00 0.00 H ATOM 1134 HD21 ASN A 135 -5.609 33.023 -23.634 1.00 0.00 H ATOM 1135 H ASN A 135 -4.957 31.245 -19.918 1.00 0.00 H ATOM 1136 N GLU A 136 -4.043 27.978 -19.947 1.00 65.08 N ATOM 1137 CA GLU A 136 -3.414 26.694 -19.635 1.00 66.49 C ATOM 1138 C GLU A 136 -4.195 25.931 -18.572 1.00 65.53 C ATOM 1139 O GLU A 136 -4.459 24.738 -18.735 1.00 64.73 O ATOM 1140 CB GLU A 136 -1.964 26.897 -19.205 1.00 68.75 C ATOM 1141 CG GLU A 136 -1.054 27.187 -20.384 1.00 70.93 C ATOM 1142 CD GLU A 136 0.359 27.491 -19.961 1.00 72.90 C ATOM 1143 OE1 GLU A 136 0.548 28.415 -19.142 1.00 75.31 O ATOM 1144 OE2 GLU A 136 1.285 26.805 -20.447 1.00 75.04 O ATOM 1145 H GLU A 136 -3.573 28.858 -19.653 1.00 0.00 H ATOM 1146 N ALA A 137 -4.565 26.631 -17.499 1.00 64.14 N ATOM 1147 CA ALA A 137 -5.435 26.087 -16.447 1.00 62.25 C ATOM 1148 C ALA A 137 -6.771 25.558 -16.980 1.00 61.29 C ATOM 1149 O ALA A 137 -7.252 24.525 -16.515 1.00 60.01 O ATOM 1150 CB ALA A 137 -5.680 27.139 -15.381 1.00 61.86 C ATOM 1151 H ALA A 137 -4.222 27.608 -17.402 1.00 0.00 H ATOM 1152 N LEU A 138 -7.358 26.272 -17.942 1.00 61.46 N ATOM 1153 CA LEU A 138 -8.560 25.808 -18.658 1.00 62.00 C ATOM 1154 C LEU A 138 -8.315 24.471 -19.358 1.00 63.09 C ATOM 1155 O LEU A 138 -8.990 23.476 -19.077 1.00 62.86 O ATOM 1156 CB LEU A 138 -9.008 26.840 -19.704 1.00 61.53 C ATOM 1157 CG LEU A 138 -9.824 28.041 -19.216 1.00 61.60 C ATOM 1158 CD1 LEU A 138 -9.582 29.260 -20.093 1.00 61.29 C ATOM 1159 CD2 LEU A 138 -11.307 27.704 -19.174 1.00 61.98 C ATOM 1160 H LEU A 138 -6.951 27.194 -18.197 1.00 0.00 H ATOM 1161 N LYS A 139 -7.339 24.472 -20.265 1.00 64.62 N ATOM 1162 CA LYS A 139 -6.972 23.285 -21.046 1.00 65.81 C ATOM 1163 C LYS A 139 -6.603 22.110 -20.142 1.00 63.96 C ATOM 1164 O LYS A 139 -7.094 20.994 -20.330 1.00 63.19 O ATOM 1165 CB LYS A 139 -5.805 23.607 -21.987 1.00 68.80 C ATOM 1166 CG LYS A 139 -6.173 24.543 -23.131 1.00 71.89 C ATOM 1167 CD LYS A 139 -4.946 25.182 -23.764 1.00 74.86 C ATOM 1168 CE LYS A 139 -5.339 26.299 -24.718 1.00 77.10 C ATOM 1169 NZ LYS A 139 -4.153 26.906 -25.384 1.00 79.07 N ATOM 1170 HZ1 LYS A 139 -3.517 27.302 -24.663 1.00 0.00 H ATOM 1171 HZ2 LYS A 139 -3.650 26.175 -25.927 1.00 0.00 H ATOM 1172 HZ3 LYS A 139 -4.466 27.663 -26.025 1.00 0.00 H ATOM 1173 H LYS A 139 -6.813 25.355 -20.427 1.00 0.00 H ATOM 1174 N LEU A 140 -5.747 22.385 -19.157 1.00 61.80 N ATOM 1175 CA LEU A 140 -5.326 21.387 -18.169 1.00 59.97 C ATOM 1176 C LEU A 140 -6.500 20.821 -17.353 1.00 59.33 C ATOM 1177 O LEU A 140 -6.556 19.609 -17.120 1.00 57.73 O ATOM 1178 CB LEU A 140 -4.255 21.967 -17.230 1.00 59.13 C ATOM 1179 CG LEU A 140 -2.838 22.150 -17.801 1.00 58.79 C ATOM 1180 CD1 LEU A 140 -2.058 23.206 -17.031 1.00 58.48 C ATOM 1181 CD2 LEU A 140 -2.062 20.838 -17.804 1.00 58.66 C ATOM 1182 H LEU A 140 -5.362 23.348 -19.087 1.00 0.00 H ATOM 1183 N TYR A 141 -7.426 21.691 -16.934 1.00 58.86 N ATOM 1184 CA TYR A 141 -8.600 21.266 -16.155 1.00 58.67 C ATOM 1185 C TYR A 141 -9.441 20.238 -16.912 1.00 57.68 C ATOM 1186 O TYR A 141 -9.712 19.151 -16.394 1.00 57.22 O ATOM 1187 CB TYR A 141 -9.481 22.461 -15.752 1.00 59.70 C ATOM 1188 CG TYR A 141 -10.792 22.052 -15.104 1.00 61.15 C ATOM 1189 CD1 TYR A 141 -10.857 21.741 -13.745 1.00 61.76 C ATOM 1190 CD2 TYR A 141 -11.964 21.949 -15.857 1.00 61.57 C ATOM 1191 CE1 TYR A 141 -12.055 21.354 -13.156 1.00 62.12 C ATOM 1192 CE2 TYR A 141 -13.161 21.559 -15.275 1.00 61.89 C ATOM 1193 CZ TYR A 141 -13.201 21.265 -13.925 1.00 62.24 C ATOM 1194 OH TYR A 141 -14.389 20.881 -13.350 1.00 63.64 O ATOM 1195 HH TYR A 141 -14.247 20.709 -12.386 1.00 0.00 H ATOM 1196 H TYR A 141 -7.313 22.698 -17.166 1.00 0.00 H ATOM 1197 N SER A 142 -9.851 20.599 -18.128 1.00 56.64 N ATOM 1198 CA SER A 142 -10.660 19.720 -18.990 1.00 56.24 C ATOM 1199 C SER A 142 -9.965 18.391 -19.271 1.00 55.47 C ATOM 1200 O SER A 142 -10.590 17.329 -19.237 1.00 54.15 O ATOM 1201 CB SER A 142 -10.960 20.407 -20.324 1.00 56.39 C ATOM 1202 OG SER A 142 -11.363 21.750 -20.126 1.00 57.79 O ATOM 1203 HG SER A 142 -10.639 22.247 -19.669 1.00 0.00 H ATOM 1204 H SER A 142 -9.589 21.541 -18.483 1.00 0.00 H ATOM 1205 N CYS A 143 -8.667 18.481 -19.556 1.00 55.70 N ATOM 1206 CA CYS A 143 -7.816 17.319 -19.806 1.00 55.44 C ATOM 1207 C CYS A 143 -7.762 16.378 -18.603 1.00 55.35 C ATOM 1208 O CYS A 143 -7.930 15.163 -18.748 1.00 55.05 O ATOM 1209 CB CYS A 143 -6.404 17.787 -20.160 1.00 55.47 C ATOM 1210 SG CYS A 143 -5.313 16.468 -20.730 1.00 57.00 S ATOM 1211 H CYS A 143 -8.237 19.427 -19.603 1.00 0.00 H ATOM 1212 N ALA A 144 -7.529 16.954 -17.425 1.00 55.08 N ATOM 1213 CA ALA A 144 -7.514 16.206 -16.166 1.00 54.02 C ATOM 1214 C ALA A 144 -8.879 15.602 -15.848 1.00 53.39 C ATOM 1215 O ALA A 144 -8.977 14.416 -15.526 1.00 52.60 O ATOM 1216 CB ALA A 144 -7.078 17.110 -15.029 1.00 54.25 C ATOM 1217 H ALA A 144 -7.350 17.978 -17.398 1.00 0.00 H ATOM 1218 N LYS A 145 -9.917 16.435 -15.936 1.00 52.87 N ATOM 1219 CA LYS A 145 -11.311 16.013 -15.722 1.00 53.31 C ATOM 1220 C LYS A 145 -11.704 14.829 -16.608 1.00 53.36 C ATOM 1221 O LYS A 145 -12.295 13.858 -16.130 1.00 51.69 O ATOM 1222 CB LYS A 145 -12.266 17.181 -15.994 1.00 53.96 C ATOM 1223 CG LYS A 145 -13.712 16.904 -15.615 1.00 54.84 C ATOM 1224 CD LYS A 145 -14.624 18.064 -15.973 1.00 55.96 C ATOM 1225 CE LYS A 145 -16.081 17.672 -15.783 1.00 56.69 C ATOM 1226 NZ LYS A 145 -17.023 18.754 -16.180 1.00 57.47 N ATOM 1227 HZ1 LYS A 145 -16.842 19.599 -15.602 1.00 0.00 H ATOM 1228 HZ2 LYS A 145 -16.882 18.983 -17.185 1.00 0.00 H ATOM 1229 HZ3 LYS A 145 -18.001 18.433 -16.030 1.00 0.00 H ATOM 1230 H LYS A 145 -9.732 17.432 -16.167 1.00 0.00 H ATOM 1231 N ALA A 146 -11.382 14.940 -17.896 1.00 53.94 N ATOM 1232 CA ALA A 146 -11.618 13.876 -18.878 1.00 53.66 C ATOM 1233 C ALA A 146 -10.903 12.580 -18.496 1.00 54.09 C ATOM 1234 O ALA A 146 -11.494 11.498 -18.553 1.00 54.32 O ATOM 1235 CB ALA A 146 -11.166 14.333 -20.257 1.00 53.62 C ATOM 1236 H ALA A 146 -10.942 15.824 -18.221 1.00 0.00 H ATOM 1237 N GLY A 147 -9.634 12.709 -18.105 1.00 53.60 N ATOM 1238 CA GLY A 147 -8.828 11.581 -17.644 1.00 53.52 C ATOM 1239 C GLY A 147 -9.385 10.888 -16.414 1.00 54.05 C ATOM 1240 O GLY A 147 -9.441 9.659 -16.365 1.00 53.12 O ATOM 1241 H GLY A 147 -9.200 13.654 -18.129 1.00 0.00 H ATOM 1242 N ILE A 148 -9.800 11.679 -15.423 1.00 55.21 N ATOM 1243 CA ILE A 148 -10.429 11.143 -14.207 1.00 56.69 C ATOM 1244 C ILE A 148 -11.655 10.311 -14.591 1.00 58.90 C ATOM 1245 O ILE A 148 -11.810 9.182 -14.125 1.00 60.00 O ATOM 1246 CB ILE A 148 -10.820 12.268 -13.210 1.00 56.25 C ATOM 1247 CG1 ILE A 148 -9.564 12.920 -12.614 1.00 56.23 C ATOM 1248 CG2 ILE A 148 -11.685 11.732 -12.069 1.00 55.95 C ATOM 1249 CD1 ILE A 148 -9.780 14.326 -12.093 1.00 56.05 C ATOM 1250 H ILE A 148 -9.675 12.707 -15.514 1.00 0.00 H ATOM 1251 N CYS A 149 -12.497 10.876 -15.456 1.00 60.58 N ATOM 1252 CA CYS A 149 -13.715 10.213 -15.934 1.00 61.55 C ATOM 1253 C CYS A 149 -13.429 8.946 -16.743 1.00 62.22 C ATOM 1254 O CYS A 149 -14.101 7.928 -16.559 1.00 60.74 O ATOM 1255 CB CYS A 149 -14.552 11.185 -16.770 1.00 62.05 C ATOM 1256 SG CYS A 149 -15.203 12.584 -15.826 1.00 62.50 S ATOM 1257 H CYS A 149 -12.281 11.830 -15.808 1.00 0.00 H ATOM 1258 N ARG A 150 -12.432 9.015 -17.624 1.00 64.26 N ATOM 1259 CA ARG A 150 -12.045 7.863 -18.452 1.00 66.25 C ATOM 1260 C ARG A 150 -11.511 6.715 -17.599 1.00 62.81 C ATOM 1261 O ARG A 150 -11.816 5.552 -17.857 1.00 61.28 O ATOM 1262 CB ARG A 150 -11.002 8.264 -19.507 1.00 70.58 C ATOM 1263 CG ARG A 150 -11.019 7.390 -20.762 1.00 75.10 C ATOM 1264 CD ARG A 150 -10.642 8.151 -22.031 1.00 78.45 C ATOM 1265 NE ARG A 150 -11.407 9.392 -22.196 1.00 81.40 N ATOM 1266 CZ ARG A 150 -12.657 9.491 -22.655 1.00 83.80 C ATOM 1267 NH1 ARG A 150 -13.221 10.695 -22.744 1.00 84.67 N ATOM 1268 NH2 ARG A 150 -13.353 8.416 -23.025 1.00 85.45 N ATOM 1269 HE ARG A 150 -10.931 10.278 -21.931 1.00 0.00 H ATOM 1270 HH12 ARG A 150 -14.194 10.789 -23.100 1.00 0.00 H ATOM 1271 HH11 ARG A 150 -12.688 11.541 -22.458 1.00 0.00 H ATOM 1272 HH22 ARG A 150 -14.325 8.522 -23.379 1.00 0.00 H ATOM 1273 HH21 ARG A 150 -12.924 7.471 -22.960 1.00 0.00 H ATOM 1274 H ARG A 150 -11.912 9.910 -17.729 1.00 0.00 H ATOM 1275 N TRP A 151 -10.718 7.057 -16.587 1.00 60.41 N ATOM 1276 CA TRP A 151 -10.203 6.070 -15.634 1.00 59.25 C ATOM 1277 C TRP A 151 -11.252 5.596 -14.623 1.00 60.02 C ATOM 1278 O TRP A 151 -11.135 4.493 -14.080 1.00 59.85 O ATOM 1279 CB TRP A 151 -8.934 6.589 -14.946 1.00 57.53 C ATOM 1280 CG TRP A 151 -7.724 6.386 -15.804 1.00 55.57 C ATOM 1281 CD1 TRP A 151 -7.328 7.146 -16.871 1.00 55.04 C ATOM 1282 CD2 TRP A 151 -6.771 5.330 -15.690 1.00 54.51 C ATOM 1283 NE1 TRP A 151 -6.178 6.629 -17.417 1.00 54.47 N ATOM 1284 CE2 TRP A 151 -5.814 5.515 -16.713 1.00 54.54 C ATOM 1285 CE3 TRP A 151 -6.627 4.243 -14.819 1.00 54.39 C ATOM 1286 CZ2 TRP A 151 -4.724 4.656 -16.888 1.00 54.05 C ATOM 1287 CZ3 TRP A 151 -5.541 3.387 -14.994 1.00 54.43 C ATOM 1288 CH2 TRP A 151 -4.604 3.601 -16.021 1.00 53.90 C ATOM 1289 HE1 TRP A 151 -5.667 7.021 -18.233 1.00 0.00 H ATOM 1290 H TRP A 151 -10.455 8.056 -16.468 1.00 0.00 H ATOM 1291 N MET A 152 -12.272 6.418 -14.380 1.00 61.26 N ATOM 1292 CA MET A 152 -13.438 5.984 -13.605 1.00 62.86 C ATOM 1293 C MET A 152 -14.239 4.956 -14.413 1.00 64.45 C ATOM 1294 O MET A 152 -14.632 3.909 -13.891 1.00 63.89 O ATOM 1295 CB MET A 152 -14.342 7.170 -13.223 1.00 62.44 C ATOM 1296 CG MET A 152 -14.746 7.185 -11.759 1.00 62.13 C ATOM 1297 SD MET A 152 -15.452 5.639 -11.165 1.00 62.42 S ATOM 1298 CE MET A 152 -14.768 5.593 -9.515 1.00 62.40 C ATOM 1299 H MET A 152 -12.240 7.390 -14.749 1.00 0.00 H ATOM 1300 N ALA A 153 -14.479 5.279 -15.685 1.00 65.69 N ATOM 1301 CA ALA A 153 -15.094 4.350 -16.634 1.00 65.88 C ATOM 1302 C ALA A 153 -14.338 3.021 -16.697 1.00 67.10 C ATOM 1303 O ALA A 153 -14.961 1.959 -16.633 1.00 67.63 O ATOM 1304 CB ALA A 153 -15.173 4.977 -18.018 1.00 65.55 C ATOM 1305 H ALA A 153 -14.218 6.230 -16.016 1.00 0.00 H ATOM 1306 N PHE A 154 -13.005 3.090 -16.799 1.00 67.32 N ATOM 1307 CA PHE A 154 -12.152 1.886 -16.819 1.00 68.09 C ATOM 1308 C PHE A 154 -12.387 0.977 -15.610 1.00 68.93 C ATOM 1309 O PHE A 154 -12.447 -0.247 -15.759 1.00 68.26 O ATOM 1310 CB PHE A 154 -10.649 2.233 -16.870 1.00 68.47 C ATOM 1311 CG PHE A 154 -10.181 2.898 -18.150 1.00 68.86 C ATOM 1312 CD1 PHE A 154 -10.815 2.692 -19.379 1.00 69.25 C ATOM 1313 CD2 PHE A 154 -9.048 3.714 -18.123 1.00 68.67 C ATOM 1314 CE1 PHE A 154 -10.347 3.313 -20.531 1.00 69.57 C ATOM 1315 CE2 PHE A 154 -8.580 4.335 -19.271 1.00 68.64 C ATOM 1316 CZ PHE A 154 -9.228 4.132 -20.478 1.00 69.41 C ATOM 1317 H PHE A 154 -12.555 4.025 -16.867 1.00 0.00 H ATOM 1318 N HIS A 155 -12.508 1.572 -14.424 1.00 70.64 N ATOM 1319 CA HIS A 155 -12.743 0.801 -13.198 1.00 72.86 C ATOM 1320 C HIS A 155 -14.139 0.172 -13.178 1.00 74.62 C ATOM 1321 O HIS A 155 -14.296 -0.971 -12.741 1.00 75.03 O ATOM 1322 CB HIS A 155 -12.542 1.663 -11.945 1.00 72.57 C ATOM 1323 CG HIS A 155 -12.840 0.939 -10.667 1.00 72.62 C ATOM 1324 ND1 HIS A 155 -14.114 0.840 -10.151 1.00 73.11 N ATOM 1325 CD2 HIS A 155 -12.036 0.258 -9.817 1.00 73.00 C ATOM 1326 CE1 HIS A 155 -14.081 0.136 -9.033 1.00 73.54 C ATOM 1327 NE2 HIS A 155 -12.831 -0.226 -8.807 1.00 73.95 N ATOM 1328 H HIS A 155 -12.434 2.608 -14.366 1.00 0.00 H ATOM 1329 N PHE A 156 -15.139 0.929 -13.631 1.00 76.57 N ATOM 1330 CA PHE A 156 -16.526 0.443 -13.700 1.00 78.09 C ATOM 1331 C PHE A 156 -16.685 -0.811 -14.564 1.00 79.99 C ATOM 1332 O PHE A 156 -17.484 -1.694 -14.244 1.00 80.97 O ATOM 1333 CB PHE A 156 -17.471 1.536 -14.230 1.00 78.19 C ATOM 1334 CG PHE A 156 -18.100 2.391 -13.157 1.00 77.38 C ATOM 1335 CD1 PHE A 156 -18.786 1.812 -12.090 1.00 76.68 C ATOM 1336 CD2 PHE A 156 -18.054 3.782 -13.243 1.00 76.67 C ATOM 1337 CE1 PHE A 156 -19.380 2.601 -11.117 1.00 76.37 C ATOM 1338 CE2 PHE A 156 -18.652 4.574 -12.276 1.00 75.40 C ATOM 1339 CZ PHE A 156 -19.314 3.982 -11.214 1.00 75.56 C ATOM 1340 H PHE A 156 -14.931 1.898 -13.947 1.00 0.00 H ATOM 1341 N LEU A 157 -15.927 -0.872 -15.656 1.00 81.38 N ATOM 1342 CA LEU A 157 -15.981 -1.995 -16.595 1.00 82.62 C ATOM 1343 C LEU A 157 -15.309 -3.272 -16.070 1.00 85.60 C ATOM 1344 O LEU A 157 -15.631 -4.366 -16.533 1.00 88.42 O ATOM 1345 CB LEU A 157 -15.350 -1.589 -17.928 1.00 81.25 C ATOM 1346 CG LEU A 157 -16.056 -0.440 -18.663 1.00 80.55 C ATOM 1347 CD1 LEU A 157 -15.092 0.286 -19.588 1.00 80.37 C ATOM 1348 CD2 LEU A 157 -17.274 -0.939 -19.428 1.00 80.69 C ATOM 1349 H LEU A 157 -15.269 -0.090 -15.851 1.00 0.00 H ATOM 1350 N GLU A 158 -14.389 -3.132 -15.113 1.00 88.35 N ATOM 1351 CA GLU A 158 -13.703 -4.282 -14.494 1.00 91.41 C ATOM 1352 C GLU A 158 -14.517 -4.994 -13.391 1.00 94.45 C ATOM 1353 O GLU A 158 -14.062 -6.007 -12.850 1.00 92.88 O ATOM 1354 CB GLU A 158 -12.329 -3.852 -13.953 1.00 92.16 C ATOM 1355 CG GLU A 158 -11.277 -3.673 -15.037 1.00 92.70 C ATOM 1356 CD GLU A 158 -9.982 -3.076 -14.515 1.00 93.06 C ATOM 1357 OE1 GLU A 158 -9.998 -1.902 -14.087 1.00 92.73 O ATOM 1358 OE2 GLU A 158 -8.945 -3.776 -14.543 1.00 91.73 O ATOM 1359 H GLU A 158 -14.146 -2.173 -14.791 1.00 0.00 H ATOM 1360 N GLN A 159 -15.705 -4.477 -13.066 1.00 98.18 N ATOM 1361 CA GLN A 159 -16.594 -5.105 -12.076 1.00102.15 C ATOM 1362 C GLN A 159 -17.261 -6.374 -12.612 1.00103.42 C ATOM 1363 O GLN A 159 -17.657 -6.428 -13.779 1.00103.53 O ATOM 1364 CB GLN A 159 -17.692 -4.129 -11.609 1.00104.26 C ATOM 1365 CG GLN A 159 -17.484 -3.551 -10.219 1.00106.08 C ATOM 1366 CD GLN A 159 -16.436 -2.461 -10.190 1.00107.99 C ATOM 1367 OE1 GLN A 159 -15.301 -2.687 -9.769 1.00109.00 O ATOM 1368 NE2 GLN A 159 -16.810 -1.271 -10.644 1.00109.04 N ATOM 1369 HE22 GLN A 159 -17.780 -1.128 -10.990 1.00 0.00 H ATOM 1370 HE21 GLN A 159 -16.133 -0.482 -10.654 1.00 0.00 H ATOM 1371 H GLN A 159 -16.013 -3.598 -13.530 1.00 0.00 H ATOM 1372 N GLU A 160 -17.379 -7.384 -11.746 1.00103.88 N ATOM 1373 CA GLU A 160 -18.212 -8.558 -12.013 1.00104.58 C ATOM 1374 C GLU A 160 -19.010 -8.931 -10.750 1.00104.09 C ATOM 1375 O GLU A 160 -18.437 -9.460 -9.793 1.00102.88 O ATOM 1376 CB GLU A 160 -17.379 -9.751 -12.496 1.00105.61 C ATOM 1377 CG GLU A 160 -18.210 -10.794 -13.240 1.00106.37 C ATOM 1378 CD GLU A 160 -17.744 -12.219 -12.999 1.00106.71 C ATOM 1379 OE1 GLU A 160 -16.553 -12.512 -13.244 1.00107.02 O ATOM 1380 OE2 GLU A 160 -18.573 -13.051 -12.569 1.00106.20 O ATOM 1381 H GLU A 160 -16.859 -7.335 -10.847 1.00 0.00 H ATOM 1382 N PRO A 161 -20.331 -8.651 -10.736 1.00104.48 N ATOM 1383 CA PRO A 161 -21.111 -8.027 -11.812 1.00105.41 C ATOM 1384 C PRO A 161 -20.964 -6.507 -11.861 1.00107.40 C ATOM 1385 O PRO A 161 -20.591 -5.886 -10.862 1.00107.63 O ATOM 1386 CB PRO A 161 -22.548 -8.429 -11.485 1.00105.01 C ATOM 1387 CG PRO A 161 -22.570 -8.645 -10.013 1.00104.56 C ATOM 1388 CD PRO A 161 -21.165 -8.927 -9.550 1.00104.19 C ATOM 1389 N ILE A 162 -21.278 -5.930 -13.020 1.00109.85 N ATOM 1390 CA ILE A 162 -21.143 -4.488 -13.256 1.00113.51 C ATOM 1391 C ILE A 162 -22.240 -3.736 -12.504 1.00114.85 C ATOM 1392 O ILE A 162 -23.407 -4.134 -12.537 1.00114.80 O ATOM 1393 CB ILE A 162 -21.210 -4.139 -14.766 1.00115.32 C ATOM 1394 CG1 ILE A 162 -20.076 -4.826 -15.537 1.00116.76 C ATOM 1395 CG2 ILE A 162 -21.113 -2.629 -14.998 1.00115.70 C ATOM 1396 CD1 ILE A 162 -20.388 -5.039 -17.002 1.00118.30 C ATOM 1397 H ILE A 162 -21.635 -6.528 -13.792 1.00 0.00 H ATOM 1398 N ASP A 163 -21.850 -2.648 -11.839 1.00116.21 N ATOM 1399 CA ASP A 163 -22.778 -1.785 -11.112 1.00116.49 C ATOM 1400 C ASP A 163 -23.359 -0.740 -12.075 1.00117.19 C ATOM 1401 O ASP A 163 -23.023 0.445 -12.006 1.00119.52 O ATOM 1402 CB ASP A 163 -22.057 -1.130 -9.919 1.00116.08 C ATOM 1403 CG ASP A 163 -23.013 -0.555 -8.882 1.00115.39 C ATOM 1404 OD1 ASP A 163 -24.161 -0.194 -9.220 1.00116.14 O ATOM 1405 OD2 ASP A 163 -22.600 -0.447 -7.707 1.00112.31 O ATOM 1406 H ASP A 163 -20.839 -2.403 -11.838 1.00 0.00 H ATOM 1407 N HIS A 164 -24.250 -1.201 -12.957 1.00116.21 N ATOM 1408 CA HIS A 164 -24.964 -0.344 -13.932 1.00114.81 C ATOM 1409 C HIS A 164 -25.736 0.812 -13.293 1.00111.99 C ATOM 1410 O HIS A 164 -25.924 1.864 -13.908 1.00108.53 O ATOM 1411 CB HIS A 164 -25.960 -1.177 -14.749 1.00115.78 C ATOM 1412 CG HIS A 164 -25.359 -1.846 -15.942 1.00116.62 C ATOM 1413 ND1 HIS A 164 -24.918 -3.152 -15.924 1.00116.16 N ATOM 1414 CD2 HIS A 164 -25.141 -1.391 -17.198 1.00116.32 C ATOM 1415 CE1 HIS A 164 -24.449 -3.471 -17.117 1.00116.32 C ATOM 1416 NE2 HIS A 164 -24.576 -2.420 -17.908 1.00116.71 N ATOM 1417 H HIS A 164 -24.454 -2.221 -12.959 1.00 0.00 H ATOM 1418 N ILE A 165 -26.182 0.581 -12.060 1.00111.01 N ATOM 1419 CA ILE A 165 -27.004 1.523 -11.295 1.00110.97 C ATOM 1420 C ILE A 165 -26.211 2.814 -11.063 1.00108.26 C ATOM 1421 O ILE A 165 -26.684 3.906 -11.383 1.00105.24 O ATOM 1422 CB ILE A 165 -27.449 0.937 -9.920 1.00112.69 C ATOM 1423 CG1 ILE A 165 -27.902 -0.541 -10.006 1.00113.24 C ATOM 1424 CG2 ILE A 165 -28.594 1.755 -9.336 1.00112.60 C ATOM 1425 CD1 ILE A 165 -27.430 -1.390 -8.843 1.00113.47 C ATOM 1426 H ILE A 165 -25.932 -0.324 -11.612 1.00 0.00 H ATOM 1427 N ASN A 166 -25.001 2.663 -10.522 1.00105.38 N ATOM 1428 CA ASN A 166 -24.075 3.781 -10.300 1.00103.23 C ATOM 1429 C ASN A 166 -23.310 4.208 -11.559 1.00102.26 C ATOM 1430 O ASN A 166 -22.951 5.379 -11.699 1.00101.48 O ATOM 1431 CB ASN A 166 -23.083 3.430 -9.184 1.00102.55 C ATOM 1432 CG ASN A 166 -23.747 3.346 -7.816 1.00102.30 C ATOM 1433 OD1 ASN A 166 -24.454 4.267 -7.403 1.00100.85 O ATOM 1434 ND2 ASN A 166 -23.513 2.249 -7.100 1.00102.17 N ATOM 1435 HD22 ASN A 166 -22.910 1.495 -7.486 1.00 0.00 H ATOM 1436 HD21 ASN A 166 -23.933 2.146 -6.154 1.00 0.00 H ATOM 1437 H ASN A 166 -24.699 1.707 -10.244 1.00 0.00 H ATOM 1438 N PHE A 167 -23.061 3.258 -12.462 1.00101.73 N ATOM 1439 CA PHE A 167 -22.319 3.511 -13.704 1.00102.81 C ATOM 1440 C PHE A 167 -23.054 4.479 -14.636 1.00103.50 C ATOM 1441 O PHE A 167 -22.460 5.438 -15.132 1.00100.75 O ATOM 1442 CB PHE A 167 -22.045 2.170 -14.413 1.00103.74 C ATOM 1443 CG PHE A 167 -21.178 2.258 -15.651 1.00105.23 C ATOM 1444 CD1 PHE A 167 -20.215 3.260 -15.824 1.00104.92 C ATOM 1445 CD2 PHE A 167 -21.295 1.278 -16.636 1.00105.17 C ATOM 1446 CE1 PHE A 167 -19.427 3.297 -16.965 1.00104.48 C ATOM 1447 CE2 PHE A 167 -20.505 1.311 -17.774 1.00104.69 C ATOM 1448 CZ PHE A 167 -19.571 2.321 -17.939 1.00104.58 C ATOM 1449 H PHE A 167 -23.408 2.295 -12.278 1.00 0.00 H ATOM 1450 N THR A 168 -24.340 4.223 -14.867 1.00106.49 N ATOM 1451 CA THR A 168 -25.173 5.094 -15.708 1.00108.58 C ATOM 1452 C THR A 168 -25.499 6.415 -14.989 1.00109.37 C ATOM 1453 O THR A 168 -25.559 7.472 -15.622 1.00109.47 O ATOM 1454 CB THR A 168 -26.481 4.389 -16.147 1.00109.45 C ATOM 1455 OG1 THR A 168 -26.245 2.985 -16.323 1.00110.57 O ATOM 1456 CG2 THR A 168 -27.001 4.974 -17.458 1.00108.95 C ATOM 1457 HG1 THR A 168 -25.934 2.594 -15.468 1.00 0.00 H ATOM 1458 H THR A 168 -24.769 3.378 -14.438 1.00 0.00 H ATOM 1459 N LYS A 169 -25.715 6.332 -13.673 1.00110.16 N ATOM 1460 CA LYS A 169 -25.880 7.511 -12.793 1.00110.11 C ATOM 1461 C LYS A 169 -24.660 8.443 -12.839 1.00107.37 C ATOM 1462 O LYS A 169 -24.814 9.668 -12.844 1.00103.76 O ATOM 1463 CB LYS A 169 -26.181 7.047 -11.349 1.00111.89 C ATOM 1464 CG LYS A 169 -25.921 8.032 -10.210 1.00113.18 C ATOM 1465 CD LYS A 169 -26.960 9.134 -10.104 1.00114.78 C ATOM 1466 CE LYS A 169 -26.632 10.049 -8.933 1.00115.68 C ATOM 1467 NZ LYS A 169 -27.534 11.230 -8.844 1.00116.24 N ATOM 1468 HZ1 LYS A 169 -27.454 11.792 -9.716 1.00 0.00 H ATOM 1469 HZ2 LYS A 169 -28.516 10.907 -8.727 1.00 0.00 H ATOM 1470 HZ3 LYS A 169 -27.260 11.813 -8.028 1.00 0.00 H ATOM 1471 H LYS A 169 -25.770 5.387 -13.243 1.00 0.00 H ATOM 1472 N PHE A 170 -23.463 7.852 -12.853 1.00106.00 N ATOM 1473 CA PHE A 170 -22.208 8.600 -13.007 1.00104.34 C ATOM 1474 C PHE A 170 -22.160 9.330 -14.347 1.00102.87 C ATOM 1475 O PHE A 170 -21.829 10.514 -14.398 1.00101.55 O ATOM 1476 CB PHE A 170 -20.996 7.661 -12.883 1.00104.03 C ATOM 1477 CG PHE A 170 -19.672 8.325 -13.171 1.00105.20 C ATOM 1478 CD1 PHE A 170 -19.070 9.152 -12.226 1.00106.28 C ATOM 1479 CD2 PHE A 170 -19.022 8.121 -14.388 1.00105.39 C ATOM 1480 CE1 PHE A 170 -17.850 9.764 -12.488 1.00105.80 C ATOM 1481 CE2 PHE A 170 -17.802 8.731 -14.655 1.00105.50 C ATOM 1482 CZ PHE A 170 -17.215 9.554 -13.703 1.00105.53 C ATOM 1483 H PHE A 170 -23.417 6.818 -12.751 1.00 0.00 H ATOM 1484 N LEU A 171 -22.505 8.614 -15.418 1.00102.21 N ATOM 1485 CA LEU A 171 -22.432 9.147 -16.787 1.00101.01 C ATOM 1486 C LEU A 171 -23.399 10.310 -17.074 1.00 99.64 C ATOM 1487 O LEU A 171 -23.175 11.078 -18.013 1.00100.25 O ATOM 1488 CB LEU A 171 -22.610 8.021 -17.814 1.00100.89 C ATOM 1489 CG LEU A 171 -21.392 7.090 -17.924 1.00101.12 C ATOM 1490 CD1 LEU A 171 -21.785 5.716 -18.447 1.00101.34 C ATOM 1491 CD2 LEU A 171 -20.303 7.704 -18.797 1.00100.59 C ATOM 1492 H LEU A 171 -22.839 7.639 -15.280 1.00 0.00 H ATOM 1493 N GLN A 172 -24.461 10.430 -16.277 1.00 97.19 N ATOM 1494 CA GLN A 172 -25.322 11.618 -16.299 1.00 96.45 C ATOM 1495 C GLN A 172 -24.614 12.815 -15.663 1.00 94.12 C ATOM 1496 O GLN A 172 -24.568 13.900 -16.250 1.00 94.69 O ATOM 1497 CB GLN A 172 -26.644 11.350 -15.570 1.00 97.55 C ATOM 1498 CG GLN A 172 -27.576 10.408 -16.316 1.00 98.36 C ATOM 1499 CD GLN A 172 -28.646 9.809 -15.421 1.00 98.68 C ATOM 1500 OE1 GLN A 172 -28.641 8.606 -15.152 1.00 97.04 O ATOM 1501 NE2 GLN A 172 -29.567 10.646 -14.949 1.00 98.69 N ATOM 1502 HE22 GLN A 172 -29.532 11.654 -15.202 1.00 0.00 H ATOM 1503 HE21 GLN A 172 -30.321 10.292 -14.327 1.00 0.00 H ATOM 1504 H GLN A 172 -24.686 9.657 -15.619 1.00 0.00 H ATOM 1505 N ASP A 173 -24.067 12.605 -14.466 1.00 89.95 N ATOM 1506 CA ASP A 173 -23.395 13.666 -13.704 1.00 87.34 C ATOM 1507 C ASP A 173 -22.078 14.104 -14.346 1.00 83.12 C ATOM 1508 O ASP A 173 -21.877 15.292 -14.612 1.00 81.67 O ATOM 1509 CB ASP A 173 -23.140 13.215 -12.257 1.00 88.50 C ATOM 1510 CG ASP A 173 -24.399 13.227 -11.410 1.00 90.17 C ATOM 1511 OD1 ASP A 173 -24.928 14.331 -11.151 1.00 92.08 O ATOM 1512 OD2 ASP A 173 -24.863 12.137 -11.007 1.00 90.68 O ATOM 1513 H ASP A 173 -24.118 11.651 -14.055 1.00 0.00 H ATOM 1514 N TRP A 174 -21.196 13.136 -14.585 1.00 79.44 N ATOM 1515 CA TRP A 174 -19.863 13.385 -15.141 1.00 77.02 C ATOM 1516 C TRP A 174 -19.672 12.570 -16.418 1.00 79.95 C ATOM 1517 O TRP A 174 -20.009 11.389 -16.456 1.00 81.33 O ATOM 1518 CB TRP A 174 -18.786 13.020 -14.112 1.00 72.42 C ATOM 1519 CG TRP A 174 -18.949 13.730 -12.793 1.00 66.60 C ATOM 1520 CD1 TRP A 174 -19.359 13.181 -11.612 1.00 64.65 C ATOM 1521 CD2 TRP A 174 -18.712 15.118 -12.530 1.00 62.85 C ATOM 1522 NE1 TRP A 174 -19.389 14.140 -10.629 1.00 63.20 N ATOM 1523 CE2 TRP A 174 -18.999 15.339 -11.166 1.00 62.50 C ATOM 1524 CE3 TRP A 174 -18.284 16.199 -13.315 1.00 61.82 C ATOM 1525 CZ2 TRP A 174 -18.872 16.598 -10.568 1.00 62.10 C ATOM 1526 CZ3 TRP A 174 -18.158 17.456 -12.718 1.00 61.14 C ATOM 1527 CH2 TRP A 174 -18.452 17.641 -11.357 1.00 61.34 C ATOM 1528 HE1 TRP A 174 -19.663 13.982 -9.638 1.00 0.00 H ATOM 1529 H TRP A 174 -21.466 12.156 -14.367 1.00 0.00 H ATOM 1530 N GLY A 175 -19.128 13.204 -17.456 1.00 83.00 N ATOM 1531 CA GLY A 175 -18.958 12.573 -18.768 1.00 85.99 C ATOM 1532 C GLY A 175 -20.038 13.027 -19.734 1.00 88.08 C ATOM 1533 O GLY A 175 -21.229 12.898 -19.447 1.00 85.70 O ATOM 1534 H GLY A 175 -18.811 14.187 -17.330 1.00 0.00 H ATOM 1535 N SER A 176 -19.613 13.544 -20.887 1.00 93.76 N ATOM 1536 CA SER A 176 -20.516 14.164 -21.865 1.00 98.14 C ATOM 1537 C SER A 176 -21.420 13.148 -22.570 1.00 99.48 C ATOM 1538 O SER A 176 -21.283 11.938 -22.369 1.00100.43 O ATOM 1539 CB SER A 176 -19.707 14.965 -22.897 1.00 99.24 C ATOM 1540 OG SER A 176 -18.955 14.114 -23.746 1.00 99.45 O ATOM 1541 HG SER A 176 -19.569 13.508 -24.232 1.00 0.00 H ATOM 1542 H SER A 176 -18.596 13.507 -21.103 1.00 0.00 H ATOM 1543 N HIS A 177 -22.335 13.658 -23.396 1.00100.94 N ATOM 1544 CA HIS A 177 -23.358 12.842 -24.048 1.00102.35 C ATOM 1545 C HIS A 177 -23.160 12.800 -25.564 1.00101.48 C ATOM 1546 O HIS A 177 -23.677 13.646 -26.300 1.00101.77 O ATOM 1547 CB HIS A 177 -24.747 13.380 -23.695 1.00104.10 C ATOM 1548 CG HIS A 177 -24.962 13.573 -22.226 1.00105.63 C ATOM 1549 ND1 HIS A 177 -25.464 12.584 -21.408 1.00107.26 N ATOM 1550 CD2 HIS A 177 -24.732 14.642 -21.427 1.00104.68 C ATOM 1551 CE1 HIS A 177 -25.539 13.038 -20.169 1.00106.12 C ATOM 1552 NE2 HIS A 177 -25.102 14.284 -20.153 1.00104.54 N ATOM 1553 H HIS A 177 -22.320 14.681 -23.584 1.00 0.00 H ATOM 1554 N ASN A 178 -22.384 11.815 -26.010 1.00101.31 N ATOM 1555 CA ASN A 178 -22.236 11.489 -27.427 1.00101.93 C ATOM 1556 C ASN A 178 -22.766 10.082 -27.663 1.00105.60 C ATOM 1557 O ASN A 178 -22.255 9.129 -27.071 1.00106.73 O ATOM 1558 CB ASN A 178 -20.766 11.566 -27.860 1.00 98.56 C ATOM 1559 CG ASN A 178 -20.363 12.949 -28.338 1.00 97.27 C ATOM 1560 OD1 ASN A 178 -20.791 13.961 -27.780 1.00 95.71 O ATOM 1561 ND2 ASN A 178 -19.526 13.000 -29.370 1.00 97.19 N ATOM 1562 HD22 ASN A 178 -19.190 12.120 -29.811 1.00 0.00 H ATOM 1563 HD21 ASN A 178 -19.208 13.920 -29.736 1.00 0.00 H ATOM 1564 H ASN A 178 -21.856 11.249 -25.315 1.00 0.00 H ATOM 1565 N GLU A 179 -23.787 9.962 -28.519 1.00108.26 N ATOM 1566 CA GLU A 179 -24.322 8.661 -28.964 1.00109.88 C ATOM 1567 C GLU A 179 -23.224 7.617 -29.150 1.00110.48 C ATOM 1568 O GLU A 179 -23.371 6.472 -28.728 1.00109.68 O ATOM 1569 CB GLU A 179 -25.081 8.813 -30.289 1.00111.89 C ATOM 1570 CG GLU A 179 -26.539 9.213 -30.150 1.00112.55 C ATOM 1571 CD GLU A 179 -27.247 9.265 -31.492 1.00112.29 C ATOM 1572 OE1 GLU A 179 -27.291 8.226 -32.183 1.00112.63 O ATOM 1573 OE2 GLU A 179 -27.758 10.345 -31.857 1.00111.76 O ATOM 1574 H GLU A 179 -24.226 10.829 -28.889 1.00 0.00 H ATOM 1575 N LYS A 180 -22.132 8.045 -29.786 1.00112.31 N ATOM 1576 CA LYS A 180 -20.935 7.221 -29.994 1.00114.10 C ATOM 1577 C LYS A 180 -20.450 6.554 -28.700 1.00115.01 C ATOM 1578 O LYS A 180 -20.523 5.331 -28.579 1.00116.50 O ATOM 1579 CB LYS A 180 -19.803 8.050 -30.627 1.00113.73 C ATOM 1580 CG LYS A 180 -20.186 8.723 -31.939 1.00112.35 C ATOM 1581 CD LYS A 180 -18.993 8.966 -32.847 1.00109.73 C ATOM 1582 CE LYS A 180 -19.440 9.496 -34.201 1.00107.61 C ATOM 1583 NZ LYS A 180 -18.483 9.129 -35.277 1.00106.91 N ATOM 1584 HZ1 LYS A 180 -17.548 9.530 -35.060 1.00 0.00 H ATOM 1585 HZ2 LYS A 180 -18.412 8.093 -35.337 1.00 0.00 H ATOM 1586 HZ3 LYS A 180 -18.822 9.508 -36.184 1.00 0.00 H ATOM 1587 H LYS A 180 -22.129 9.017 -30.155 1.00 0.00 H ATOM 1588 N GLU A 181 -19.987 7.354 -27.738 1.00114.25 N ATOM 1589 CA GLU A 181 -19.499 6.822 -26.452 1.00113.05 C ATOM 1590 C GLU A 181 -20.621 6.223 -25.591 1.00110.46 C ATOM 1591 O GLU A 181 -20.409 5.203 -24.931 1.00108.15 O ATOM 1592 CB GLU A 181 -18.697 7.870 -25.652 1.00114.56 C ATOM 1593 CG GLU A 181 -19.453 9.131 -25.234 1.00116.16 C ATOM 1594 CD GLU A 181 -18.612 10.101 -24.412 1.00116.11 C ATOM 1595 OE1 GLU A 181 -17.732 9.651 -23.645 1.00116.34 O ATOM 1596 OE2 GLU A 181 -18.842 11.325 -24.525 1.00113.87 O ATOM 1597 H GLU A 181 -19.970 8.381 -27.899 1.00 0.00 H ATOM 1598 N MET A 182 -21.800 6.851 -25.616 1.00108.13 N ATOM 1599 CA MET A 182 -22.973 6.374 -24.865 1.00106.23 C ATOM 1600 C MET A 182 -23.321 4.934 -25.251 1.00103.91 C ATOM 1601 O MET A 182 -23.419 4.063 -24.385 1.00102.47 O ATOM 1602 CB MET A 182 -24.187 7.287 -25.103 1.00108.10 C ATOM 1603 CG MET A 182 -24.051 8.700 -24.543 1.00109.98 C ATOM 1604 SD MET A 182 -24.573 8.887 -22.826 1.00112.95 S ATOM 1605 CE MET A 182 -26.324 9.211 -23.026 1.00111.51 C ATOM 1606 H MET A 182 -21.893 7.713 -26.190 1.00 0.00 H ATOM 1607 N GLU A 183 -23.481 4.695 -26.553 1.00101.70 N ATOM 1608 CA GLU A 183 -23.770 3.352 -27.081 1.00101.12 C ATOM 1609 C GLU A 183 -22.574 2.399 -27.017 1.00 98.93 C ATOM 1610 O GLU A 183 -22.760 1.207 -26.779 1.00 98.04 O ATOM 1611 CB GLU A 183 -24.285 3.418 -28.525 1.00102.92 C ATOM 1612 CG GLU A 183 -25.700 3.968 -28.655 1.00103.52 C ATOM 1613 CD GLU A 183 -26.144 4.159 -30.097 1.00103.57 C ATOM 1614 OE1 GLU A 183 -25.310 4.540 -30.949 1.00103.86 O ATOM 1615 OE2 GLU A 183 -27.341 3.938 -30.379 1.00102.41 O ATOM 1616 H GLU A 183 -23.398 5.488 -27.221 1.00 0.00 H ATOM 1617 N ALA A 184 -21.364 2.911 -27.249 1.00 97.49 N ATOM 1618 CA ALA A 184 -20.144 2.086 -27.183 1.00 97.03 C ATOM 1619 C ALA A 184 -19.879 1.560 -25.772 1.00 98.09 C ATOM 1620 O ALA A 184 -19.430 0.424 -25.604 1.00 96.39 O ATOM 1621 CB ALA A 184 -18.936 2.863 -27.688 1.00 96.17 C ATOM 1622 H ALA A 184 -21.279 3.921 -27.483 1.00 0.00 H ATOM 1623 N LEU A 185 -20.148 2.397 -24.770 1.00101.30 N ATOM 1624 CA LEU A 185 -20.103 1.972 -23.369 1.00103.57 C ATOM 1625 C LEU A 185 -21.188 0.928 -23.085 1.00104.59 C ATOM 1626 O LEU A 185 -20.919 -0.062 -22.414 1.00100.77 O ATOM 1627 CB LEU A 185 -20.236 3.176 -22.420 1.00104.67 C ATOM 1628 CG LEU A 185 -18.992 4.073 -22.302 1.00105.10 C ATOM 1629 CD1 LEU A 185 -19.353 5.470 -21.816 1.00105.19 C ATOM 1630 CD2 LEU A 185 -17.947 3.454 -21.384 1.00104.84 C ATOM 1631 H LEU A 185 -20.398 3.382 -24.990 1.00 0.00 H ATOM 1632 N GLN A 186 -22.392 1.153 -23.618 1.00108.79 N ATOM 1633 CA GLN A 186 -23.513 0.202 -23.504 1.00112.06 C ATOM 1634 C GLN A 186 -23.231 -1.143 -24.187 1.00111.87 C ATOM 1635 O GLN A 186 -23.486 -2.200 -23.604 1.00110.09 O ATOM 1636 CB GLN A 186 -24.799 0.811 -24.082 1.00115.07 C ATOM 1637 CG GLN A 186 -25.458 1.852 -23.184 1.00117.92 C ATOM 1638 CD GLN A 186 -26.532 2.677 -23.888 1.00120.95 C ATOM 1639 OE1 GLN A 186 -26.733 2.573 -25.101 1.00122.47 O ATOM 1640 NE2 GLN A 186 -27.234 3.505 -23.118 1.00121.86 N ATOM 1641 HE22 GLN A 186 -27.034 3.563 -22.099 1.00 0.00 H ATOM 1642 HE21 GLN A 186 -27.983 4.094 -23.535 1.00 0.00 H ATOM 1643 H GLN A 186 -22.546 2.041 -24.138 1.00 0.00 H ATOM 1644 N ARG A 187 -22.717 -1.085 -25.418 1.00112.52 N ATOM 1645 CA ARG A 187 -22.286 -2.277 -26.172 1.00113.62 C ATOM 1646 C ARG A 187 -21.271 -3.100 -25.380 1.00114.75 C ATOM 1647 O ARG A 187 -21.428 -4.313 -25.223 1.00115.46 O ATOM 1648 CB ARG A 187 -21.652 -1.880 -27.515 1.00114.06 C ATOM 1649 CG ARG A 187 -22.626 -1.575 -28.643 1.00114.26 C ATOM 1650 CD ARG A 187 -21.862 -1.058 -29.854 1.00114.25 C ATOM 1651 NE ARG A 187 -22.697 -0.878 -31.043 1.00114.49 N ATOM 1652 CZ ARG A 187 -22.259 -0.429 -32.223 1.00114.06 C ATOM 1653 NH1 ARG A 187 -20.978 -0.100 -32.402 1.00113.31 N ATOM 1654 NH2 ARG A 187 -23.109 -0.305 -33.240 1.00113.56 N ATOM 1655 HE ARG A 187 -23.706 -1.117 -30.963 1.00 0.00 H ATOM 1656 HH12 ARG A 187 -20.655 0.248 -33.327 1.00 0.00 H ATOM 1657 HH11 ARG A 187 -20.303 -0.191 -31.616 1.00 0.00 H ATOM 1658 HH22 ARG A 187 -22.772 0.044 -34.160 1.00 0.00 H ATOM 1659 HH21 ARG A 187 -24.110 -0.557 -33.115 1.00 0.00 H ATOM 1660 H ARG A 187 -22.616 -0.153 -25.868 1.00 0.00 H ATOM 1661 N LEU A 188 -20.234 -2.419 -24.892 1.00115.89 N ATOM 1662 CA LEU A 188 -19.181 -3.048 -24.088 1.00115.90 C ATOM 1663 C LEU A 188 -19.662 -3.479 -22.703 1.00114.55 C ATOM 1664 O LEU A 188 -19.129 -4.432 -22.131 1.00113.83 O ATOM 1665 CB LEU A 188 -17.964 -2.125 -23.967 1.00117.69 C ATOM 1666 CG LEU A 188 -16.642 -2.772 -23.519 1.00120.15 C ATOM 1667 CD1 LEU A 188 -15.903 -3.437 -24.671 1.00120.38 C ATOM 1668 CD2 LEU A 188 -15.736 -1.738 -22.873 1.00122.13 C ATOM 1669 H LEU A 188 -20.169 -1.400 -25.090 1.00 0.00 H ATOM 1670 N SER A 189 -20.666 -2.782 -22.175 1.00114.39 N ATOM 1671 CA SER A 189 -21.280 -3.146 -20.894 1.00114.29 C ATOM 1672 C SER A 189 -21.934 -4.534 -20.924 1.00112.78 C ATOM 1673 O SER A 189 -21.956 -5.229 -19.905 1.00110.18 O ATOM 1674 CB SER A 189 -22.319 -2.101 -20.471 1.00115.07 C ATOM 1675 OG SER A 189 -22.415 -2.046 -19.062 1.00117.08 O ATOM 1676 HG SER A 189 -23.089 -1.368 -18.805 1.00 0.00 H ATOM 1677 H SER A 189 -21.027 -1.952 -22.688 1.00 0.00 H ATOM 1678 N LYS A 190 -22.454 -4.922 -22.091 1.00112.56 N ATOM 1679 CA LYS A 190 -23.115 -6.221 -22.279 1.00111.92 C ATOM 1680 C LYS A 190 -22.195 -7.340 -22.810 1.00109.98 C ATOM 1681 O LYS A 190 -22.636 -8.484 -22.930 1.00108.91 O ATOM 1682 CB LYS A 190 -24.349 -6.052 -23.176 1.00112.97 C ATOM 1683 CG LYS A 190 -25.483 -5.303 -22.485 1.00113.30 C ATOM 1684 CD LYS A 190 -26.530 -4.785 -23.463 1.00113.95 C ATOM 1685 CE LYS A 190 -27.144 -3.477 -22.984 1.00115.37 C ATOM 1686 NZ LYS A 190 -27.981 -2.833 -24.030 1.00116.74 N ATOM 1687 HZ1 LYS A 190 -27.395 -2.629 -24.864 1.00 0.00 H ATOM 1688 HZ2 LYS A 190 -28.755 -3.475 -24.297 1.00 0.00 H ATOM 1689 HZ3 LYS A 190 -28.377 -1.946 -23.658 1.00 0.00 H ATOM 1690 H LYS A 190 -22.388 -4.276 -22.903 1.00 0.00 H ATOM 1691 N HIS A 191 -20.931 -7.022 -23.111 1.00109.10 N ATOM 1692 CA HIS A 191 -19.894 -8.051 -23.343 1.00108.36 C ATOM 1693 C HIS A 191 -19.526 -8.719 -22.001 1.00105.67 C ATOM 1694 O HIS A 191 -20.220 -8.498 -21.003 1.00105.41 O ATOM 1695 CB HIS A 191 -18.655 -7.446 -24.028 1.00110.52 C ATOM 1696 CG HIS A 191 -18.904 -6.964 -25.425 1.00113.16 C ATOM 1697 ND1 HIS A 191 -19.591 -7.704 -26.364 1.00114.63 N ATOM 1698 CD2 HIS A 191 -18.524 -5.827 -26.053 1.00114.95 C ATOM 1699 CE1 HIS A 191 -19.641 -7.032 -27.501 1.00115.20 C ATOM 1700 NE2 HIS A 191 -19.002 -5.888 -27.338 1.00115.38 N ATOM 1701 H HIS A 191 -20.669 -6.018 -23.184 1.00 0.00 H ATOM 1702 N LYS A 192 -18.464 -9.535 -21.959 1.00103.45 N ATOM 1703 CA LYS A 192 -18.122 -10.255 -20.724 1.00102.24 C ATOM 1704 C LYS A 192 -16.791 -9.762 -20.112 1.00104.27 C ATOM 1705 O LYS A 192 -16.231 -8.738 -20.509 1.00100.99 O ATOM 1706 CB LYS A 192 -18.769 -11.652 -20.738 1.00 99.91 C ATOM 1707 CG LYS A 192 -19.153 -12.212 -19.367 1.00 97.66 C ATOM 1708 CD LYS A 192 -20.268 -11.436 -18.662 1.00 95.53 C ATOM 1709 CE LYS A 192 -21.654 -11.813 -19.155 1.00 94.37 C ATOM 1710 NZ LYS A 192 -22.707 -11.012 -18.469 1.00 92.98 N ATOM 1711 HZ1 LYS A 192 -22.660 -11.185 -17.445 1.00 0.00 H ATOM 1712 HZ2 LYS A 192 -22.551 -10.001 -18.658 1.00 0.00 H ATOM 1713 HZ3 LYS A 192 -23.642 -11.292 -18.827 1.00 0.00 H ATOM 1714 H LYS A 192 -17.876 -9.660 -22.808 1.00 0.00 H ATOM 1715 N ILE A 193 -16.350 -10.547 -19.124 1.00108.77 N ATOM 1716 CA ILE A 193 -15.117 -10.411 -18.308 1.00112.37 C ATOM 1717 C ILE A 193 -13.758 -10.251 -19.010 1.00114.54 C ATOM 1718 O ILE A 193 -13.075 -9.256 -18.784 1.00115.53 O ATOM 1719 CB ILE A 193 -15.003 -11.707 -17.433 1.00113.41 C ATOM 1720 CG1 ILE A 193 -16.307 -12.036 -16.676 1.00115.07 C ATOM 1721 CG2 ILE A 193 -13.880 -11.568 -16.407 1.00112.92 C ATOM 1722 CD1 ILE A 193 -16.659 -13.509 -16.678 1.00115.82 C ATOM 1723 H ILE A 193 -16.952 -11.364 -18.896 1.00 0.00 H ATOM 1724 N ARG A 194 -13.382 -11.207 -19.862 1.00117.15 N ATOM 1725 CA ARG A 194 -12.026 -11.257 -20.431 1.00119.96 C ATOM 1726 C ARG A 194 -11.947 -10.224 -21.556 1.00120.60 C ATOM 1727 O ARG A 194 -10.923 -9.556 -21.714 1.00122.41 O ATOM 1728 CB ARG A 194 -11.644 -12.649 -20.954 1.00121.71 C ATOM 1729 CG ARG A 194 -11.157 -13.594 -19.867 1.00122.97 C ATOM 1730 CD ARG A 194 -10.553 -14.861 -20.451 1.00124.18 C ATOM 1731 NE ARG A 194 -10.111 -15.786 -19.406 1.00125.59 N ATOM 1732 CZ ARG A 194 -9.529 -16.968 -19.621 1.00126.08 C ATOM 1733 NH1 ARG A 194 -9.299 -17.408 -20.859 1.00125.60 N ATOM 1734 NH2 ARG A 194 -9.171 -17.723 -18.584 1.00126.60 N ATOM 1735 HE ARG A 194 -10.262 -15.500 -18.418 1.00 0.00 H ATOM 1736 HH12 ARG A 194 -8.844 -18.332 -21.007 1.00 0.00 H ATOM 1737 HH11 ARG A 194 -9.574 -16.827 -21.677 1.00 0.00 H ATOM 1738 HH22 ARG A 194 -8.717 -18.645 -18.744 1.00 0.00 H ATOM 1739 HH21 ARG A 194 -9.345 -17.391 -17.614 1.00 0.00 H ATOM 1740 H ARG A 194 -14.069 -11.940 -20.132 1.00 0.00 H ATOM 1741 N LYS A 195 -13.031 -10.096 -22.319 1.00119.65 N ATOM 1742 CA LYS A 195 -13.138 -9.078 -23.371 1.00119.18 C ATOM 1743 C LYS A 195 -13.265 -7.664 -22.797 1.00117.45 C ATOM 1744 O LYS A 195 -12.672 -6.722 -23.330 1.00116.07 O ATOM 1745 CB LYS A 195 -14.318 -9.382 -24.298 1.00120.55 C ATOM 1746 CG LYS A 195 -14.061 -10.556 -25.228 1.00121.68 C ATOM 1747 CD LYS A 195 -15.274 -10.867 -26.086 1.00122.65 C ATOM 1748 CE LYS A 195 -14.975 -11.977 -27.078 1.00122.51 C ATOM 1749 NZ LYS A 195 -16.175 -12.336 -27.881 1.00122.62 N ATOM 1750 HZ1 LYS A 195 -16.932 -12.660 -27.245 1.00 0.00 H ATOM 1751 HZ2 LYS A 195 -16.499 -11.501 -28.411 1.00 0.00 H ATOM 1752 HZ3 LYS A 195 -15.930 -13.097 -28.546 1.00 0.00 H ATOM 1753 H LYS A 195 -13.832 -10.741 -22.164 1.00 0.00 H ATOM 1754 N ARG A 196 -14.039 -7.525 -21.720 1.00115.45 N ATOM 1755 CA ARG A 196 -14.140 -6.259 -20.983 1.00113.15 C ATOM 1756 C ARG A 196 -12.791 -5.840 -20.391 1.00109.99 C ATOM 1757 O ARG A 196 -12.415 -4.670 -20.468 1.00110.32 O ATOM 1758 CB ARG A 196 -15.198 -6.350 -19.873 1.00113.71 C ATOM 1759 CG ARG A 196 -16.628 -6.346 -20.390 1.00115.12 C ATOM 1760 CD ARG A 196 -17.654 -6.116 -19.288 1.00116.11 C ATOM 1761 NE ARG A 196 -18.106 -7.354 -18.633 1.00117.27 N ATOM 1762 CZ ARG A 196 -17.952 -7.672 -17.339 1.00117.68 C ATOM 1763 NH1 ARG A 196 -17.350 -6.855 -16.473 1.00117.64 N ATOM 1764 NH2 ARG A 196 -18.430 -8.831 -16.888 1.00117.49 N ATOM 1765 HE ARG A 196 -18.593 -8.051 -19.232 1.00 0.00 H ATOM 1766 HH12 ARG A 196 -17.249 -7.136 -15.477 1.00 0.00 H ATOM 1767 HH11 ARG A 196 -16.982 -5.937 -16.794 1.00 0.00 H ATOM 1768 HH22 ARG A 196 -18.315 -9.086 -15.886 1.00 0.00 H ATOM 1769 HH21 ARG A 196 -18.918 -9.480 -17.538 1.00 0.00 H ATOM 1770 H ARG A 196 -14.591 -8.343 -21.390 1.00 0.00 H ATOM 1771 N LEU A 197 -12.077 -6.803 -19.808 1.00106.67 N ATOM 1772 CA LEU A 197 -10.716 -6.588 -19.305 1.00105.09 C ATOM 1773 C LEU A 197 -9.738 -6.213 -20.431 1.00105.03 C ATOM 1774 O LEU A 197 -8.858 -5.378 -20.226 1.00104.64 O ATOM 1775 CB LEU A 197 -10.200 -7.836 -18.567 1.00104.74 C ATOM 1776 CG LEU A 197 -10.895 -8.278 -17.269 1.00105.42 C ATOM 1777 CD1 LEU A 197 -10.520 -9.710 -16.915 1.00105.72 C ATOM 1778 CD2 LEU A 197 -10.565 -7.353 -16.112 1.00105.83 C ATOM 1779 H LEU A 197 -12.503 -7.746 -19.706 1.00 0.00 H ATOM 1780 N ILE A 198 -9.903 -6.824 -21.606 1.00104.83 N ATOM 1781 CA ILE A 198 -9.025 -6.578 -22.768 1.00103.91 C ATOM 1782 C ILE A 198 -9.171 -5.155 -23.336 1.00101.55 C ATOM 1783 O ILE A 198 -8.160 -4.496 -23.603 1.00100.56 O ATOM 1784 CB ILE A 198 -9.212 -7.672 -23.869 1.00104.23 C ATOM 1785 CG1 ILE A 198 -8.383 -8.913 -23.506 1.00103.55 C ATOM 1786 CG2 ILE A 198 -8.804 -7.175 -25.259 1.00104.25 C ATOM 1787 CD1 ILE A 198 -8.819 -10.195 -24.185 1.00103.26 C ATOM 1788 H ILE A 198 -10.684 -7.503 -21.708 1.00 0.00 H ATOM 1789 N TYR A 199 -10.411 -4.699 -23.532 1.00 98.06 N ATOM 1790 CA TYR A 199 -10.675 -3.325 -23.999 1.00 95.81 C ATOM 1791 C TYR A 199 -10.056 -2.301 -23.050 1.00 95.63 C ATOM 1792 O TYR A 199 -9.420 -1.346 -23.491 1.00 95.95 O ATOM 1793 CB TYR A 199 -12.182 -3.058 -24.132 1.00 94.42 C ATOM 1794 CG TYR A 199 -12.523 -1.703 -24.735 1.00 93.68 C ATOM 1795 CD1 TYR A 199 -12.666 -1.544 -26.116 1.00 93.45 C ATOM 1796 CD2 TYR A 199 -12.702 -0.577 -23.925 1.00 93.37 C ATOM 1797 CE1 TYR A 199 -12.977 -0.307 -26.671 1.00 93.15 C ATOM 1798 CE2 TYR A 199 -13.011 0.664 -24.471 1.00 92.53 C ATOM 1799 CZ TYR A 199 -13.149 0.796 -25.842 1.00 92.30 C ATOM 1800 OH TYR A 199 -13.455 2.024 -26.383 1.00 91.28 O ATOM 1801 HH TYR A 199 -13.517 1.943 -27.368 1.00 0.00 H ATOM 1802 H TYR A 199 -11.215 -5.332 -23.350 1.00 0.00 H ATOM 1803 N VAL A 200 -10.252 -2.521 -21.751 1.00 94.63 N ATOM 1804 CA VAL A 200 -9.662 -1.688 -20.699 1.00 93.47 C ATOM 1805 C VAL A 200 -8.127 -1.758 -20.721 1.00 93.36 C ATOM 1806 O VAL A 200 -7.463 -0.722 -20.729 1.00 93.71 O ATOM 1807 CB VAL A 200 -10.224 -2.082 -19.304 1.00 93.03 C ATOM 1808 CG1 VAL A 200 -9.418 -1.471 -18.162 1.00 92.99 C ATOM 1809 CG2 VAL A 200 -11.682 -1.659 -19.190 1.00 93.47 C ATOM 1810 H VAL A 200 -10.852 -3.322 -21.470 1.00 0.00 H ATOM 1811 N SER A 201 -7.580 -2.974 -20.746 1.00 92.50 N ATOM 1812 CA SER A 201 -6.122 -3.186 -20.696 1.00 92.26 C ATOM 1813 C SER A 201 -5.382 -2.609 -21.908 1.00 91.95 C ATOM 1814 O SER A 201 -4.232 -2.185 -21.787 1.00 90.76 O ATOM 1815 CB SER A 201 -5.791 -4.676 -20.550 1.00 92.53 C ATOM 1816 OG SER A 201 -4.444 -4.858 -20.142 1.00 93.09 O ATOM 1817 HG SER A 201 -3.839 -4.462 -20.818 1.00 0.00 H ATOM 1818 H SER A 201 -8.205 -3.803 -20.803 1.00 0.00 H ATOM 1819 N GLN A 202 -6.040 -2.608 -23.067 1.00 92.45 N ATOM 1820 CA GLN A 202 -5.516 -1.937 -24.262 1.00 94.48 C ATOM 1821 C GLN A 202 -5.605 -0.417 -24.125 1.00 93.89 C ATOM 1822 O GLN A 202 -4.645 0.294 -24.427 1.00 94.04 O ATOM 1823 CB GLN A 202 -6.278 -2.379 -25.516 1.00 96.51 C ATOM 1824 CG GLN A 202 -5.939 -3.782 -25.998 1.00 97.36 C ATOM 1825 CD GLN A 202 -6.886 -4.269 -27.087 1.00 97.80 C ATOM 1826 OE1 GLN A 202 -8.106 -4.257 -26.907 1.00 97.36 O ATOM 1827 NE2 GLN A 202 -6.333 -4.709 -28.217 1.00 97.68 N ATOM 1828 HE22 GLN A 202 -5.299 -4.702 -28.327 1.00 0.00 H ATOM 1829 HE21 GLN A 202 -6.936 -5.060 -28.989 1.00 0.00 H ATOM 1830 H GLN A 202 -6.955 -3.099 -23.126 1.00 0.00 H ATOM 1831 N HIS A 203 -6.764 0.066 -23.675 1.00 93.77 N ATOM 1832 CA HIS A 203 -7.026 1.509 -23.549 1.00 93.85 C ATOM 1833 C HIS A 203 -6.292 2.188 -22.383 1.00 92.26 C ATOM 1834 O HIS A 203 -6.033 3.392 -22.438 1.00 92.23 O ATOM 1835 CB HIS A 203 -8.534 1.793 -23.472 1.00 95.06 C ATOM 1836 CG HIS A 203 -9.196 1.886 -24.813 1.00 96.40 C ATOM 1837 ND1 HIS A 203 -9.586 3.089 -25.362 1.00 97.36 N ATOM 1838 CD2 HIS A 203 -9.517 0.936 -25.723 1.00 96.76 C ATOM 1839 CE1 HIS A 203 -10.130 2.875 -26.547 1.00 97.14 C ATOM 1840 NE2 HIS A 203 -10.100 1.577 -26.790 1.00 97.62 N ATOM 1841 H HIS A 203 -7.512 -0.603 -23.402 1.00 0.00 H ATOM 1842 N LYS A 204 -5.976 1.426 -21.335 1.00 90.45 N ATOM 1843 CA LYS A 204 -5.111 1.915 -20.250 1.00 89.30 C ATOM 1844 C LYS A 204 -3.678 2.161 -20.729 1.00 89.54 C ATOM 1845 O LYS A 204 -3.000 3.051 -20.220 1.00 90.44 O ATOM 1846 CB LYS A 204 -5.108 0.948 -19.058 1.00 87.84 C ATOM 1847 CG LYS A 204 -6.318 1.089 -18.148 1.00 87.54 C ATOM 1848 CD LYS A 204 -6.203 0.187 -16.930 1.00 87.20 C ATOM 1849 CE LYS A 204 -7.336 0.426 -15.944 1.00 86.42 C ATOM 1850 NZ LYS A 204 -7.247 -0.473 -14.762 1.00 86.24 N ATOM 1851 HZ1 LYS A 204 -7.294 -1.463 -15.077 1.00 0.00 H ATOM 1852 HZ2 LYS A 204 -6.347 -0.307 -14.269 1.00 0.00 H ATOM 1853 HZ3 LYS A 204 -8.039 -0.275 -14.117 1.00 0.00 H ATOM 1854 H LYS A 204 -6.352 0.458 -21.283 1.00 0.00 H ATOM 1855 N LYS A 205 -3.224 1.367 -21.698 1.00 89.90 N ATOM 1856 CA LYS A 205 -1.923 1.582 -22.339 1.00 90.27 C ATOM 1857 C LYS A 205 -1.988 2.720 -23.359 1.00 88.89 C ATOM 1858 O LYS A 205 -1.047 3.508 -23.476 1.00 88.06 O ATOM 1859 CB LYS A 205 -1.420 0.292 -22.992 1.00 91.75 C ATOM 1860 CG LYS A 205 -1.041 -0.773 -21.973 1.00 93.93 C ATOM 1861 CD LYS A 205 -0.121 -1.838 -22.545 1.00 95.16 C ATOM 1862 CE LYS A 205 0.536 -2.634 -21.429 1.00 96.12 C ATOM 1863 NZ LYS A 205 1.442 -3.691 -21.950 1.00 97.73 N ATOM 1864 HZ1 LYS A 205 0.898 -4.352 -22.541 1.00 0.00 H ATOM 1865 HZ2 LYS A 205 2.193 -3.252 -22.520 1.00 0.00 H ATOM 1866 HZ3 LYS A 205 1.866 -4.206 -21.152 1.00 0.00 H ATOM 1867 H LYS A 205 -3.812 0.568 -22.010 1.00 0.00 H ATOM 1868 N LYS A 206 -3.101 2.800 -24.086 1.00 87.90 N ATOM 1869 CA LYS A 206 -3.353 3.904 -25.018 1.00 87.84 C ATOM 1870 C LYS A 206 -3.592 5.240 -24.304 1.00 85.82 C ATOM 1871 O LYS A 206 -3.370 6.299 -24.893 1.00 84.38 O ATOM 1872 CB LYS A 206 -4.542 3.576 -25.930 1.00 90.00 C ATOM 1873 CG LYS A 206 -4.260 2.452 -26.920 1.00 92.61 C ATOM 1874 CD LYS A 206 -5.527 1.745 -27.382 1.00 94.21 C ATOM 1875 CE LYS A 206 -5.200 0.571 -28.294 1.00 94.58 C ATOM 1876 NZ LYS A 206 -6.417 -0.176 -28.719 1.00 94.77 N ATOM 1877 HZ1 LYS A 206 -6.905 -0.548 -27.879 1.00 0.00 H ATOM 1878 HZ2 LYS A 206 -7.053 0.465 -29.236 1.00 0.00 H ATOM 1879 HZ3 LYS A 206 -6.140 -0.965 -29.338 1.00 0.00 H ATOM 1880 H LYS A 206 -3.817 2.052 -23.989 1.00 0.00 H ATOM 1881 N MET A 207 -4.052 5.185 -23.051 1.00 85.13 N ATOM 1882 CA MET A 207 -4.265 6.381 -22.227 1.00 83.98 C ATOM 1883 C MET A 207 -3.732 6.120 -20.804 1.00 81.17 C ATOM 1884 O MET A 207 -4.493 5.735 -19.909 1.00 80.01 O ATOM 1885 CB MET A 207 -5.759 6.764 -22.227 1.00 84.73 C ATOM 1886 CG MET A 207 -6.009 8.239 -22.493 1.00 85.28 C ATOM 1887 SD MET A 207 -5.735 8.643 -24.230 1.00 87.53 S ATOM 1888 CE MET A 207 -5.235 10.359 -24.120 1.00 88.36 C ATOM 1889 H MET A 207 -4.269 4.254 -22.641 1.00 0.00 H ATOM 1890 N PRO A 208 -2.411 6.321 -20.594 1.00 77.16 N ATOM 1891 CA PRO A 208 -1.775 5.986 -19.315 1.00 74.30 C ATOM 1892 C PRO A 208 -2.096 6.990 -18.212 1.00 71.65 C ATOM 1893 O PRO A 208 -2.362 8.160 -18.503 1.00 69.29 O ATOM 1894 CB PRO A 208 -0.284 6.020 -19.656 1.00 74.90 C ATOM 1895 CG PRO A 208 -0.175 7.035 -20.739 1.00 75.26 C ATOM 1896 CD PRO A 208 -1.461 6.976 -21.517 1.00 76.34 C ATOM 1897 N TRP A 209 -2.064 6.532 -16.961 1.00 69.42 N ATOM 1898 CA TRP A 209 -2.328 7.412 -15.822 1.00 68.54 C ATOM 1899 C TRP A 209 -1.224 8.458 -15.615 1.00 68.34 C ATOM 1900 O TRP A 209 -1.503 9.564 -15.144 1.00 69.74 O ATOM 1901 CB TRP A 209 -2.554 6.618 -14.530 1.00 68.81 C ATOM 1902 CG TRP A 209 -2.882 7.524 -13.389 1.00 70.05 C ATOM 1903 CD1 TRP A 209 -2.121 7.756 -12.288 1.00 70.69 C ATOM 1904 CD2 TRP A 209 -4.023 8.382 -13.278 1.00 70.92 C ATOM 1905 NE1 TRP A 209 -2.728 8.682 -11.475 1.00 71.03 N ATOM 1906 CE2 TRP A 209 -3.900 9.084 -12.060 1.00 70.47 C ATOM 1907 CE3 TRP A 209 -5.148 8.615 -14.083 1.00 71.04 C ATOM 1908 CZ2 TRP A 209 -4.860 10.003 -11.623 1.00 70.38 C ATOM 1909 CZ3 TRP A 209 -6.105 9.531 -13.649 1.00 70.13 C ATOM 1910 CH2 TRP A 209 -5.952 10.213 -12.429 1.00 70.13 C ATOM 1911 HE1 TRP A 209 -2.358 9.022 -10.564 1.00 0.00 H ATOM 1912 H TRP A 209 -1.847 5.529 -16.791 1.00 0.00 H ATOM 1913 N SER A 210 0.014 8.112 -15.973 1.00 67.34 N ATOM 1914 CA SER A 210 1.147 9.053 -15.933 1.00 65.95 C ATOM 1915 C SER A 210 0.886 10.359 -16.694 1.00 64.45 C ATOM 1916 O SER A 210 1.375 11.416 -16.296 1.00 64.51 O ATOM 1917 CB SER A 210 2.408 8.388 -16.494 1.00 66.32 C ATOM 1918 OG SER A 210 2.239 8.042 -17.859 1.00 66.31 O ATOM 1919 HG SER A 210 3.067 7.615 -18.195 1.00 0.00 H ATOM 1920 H SER A 210 0.186 7.138 -16.294 1.00 0.00 H ATOM 1921 N LYS A 211 0.130 10.266 -17.788 1.00 63.67 N ATOM 1922 CA LYS A 211 -0.285 11.432 -18.581 1.00 63.75 C ATOM 1923 C LYS A 211 -1.126 12.414 -17.765 1.00 62.09 C ATOM 1924 O LYS A 211 -0.915 13.621 -17.837 1.00 61.10 O ATOM 1925 CB LYS A 211 -1.088 10.973 -19.807 1.00 64.96 C ATOM 1926 CG LYS A 211 -1.319 12.028 -20.885 1.00 65.94 C ATOM 1927 CD LYS A 211 -2.281 11.498 -21.947 1.00 67.08 C ATOM 1928 CE LYS A 211 -2.091 12.151 -23.311 1.00 67.67 C ATOM 1929 NZ LYS A 211 -2.744 13.483 -23.411 1.00 67.63 N ATOM 1930 HZ1 LYS A 211 -3.766 13.380 -23.248 1.00 0.00 H ATOM 1931 HZ2 LYS A 211 -2.340 14.120 -22.695 1.00 0.00 H ATOM 1932 HZ3 LYS A 211 -2.581 13.877 -24.359 1.00 0.00 H ATOM 1933 H LYS A 211 -0.181 9.323 -18.095 1.00 0.00 H ATOM 1934 N PHE A 212 -2.067 11.880 -16.988 1.00 60.32 N ATOM 1935 CA PHE A 212 -3.053 12.683 -16.259 1.00 58.82 C ATOM 1936 C PHE A 212 -2.528 13.191 -14.926 1.00 57.51 C ATOM 1937 O PHE A 212 -2.840 14.315 -14.524 1.00 57.15 O ATOM 1938 CB PHE A 212 -4.332 11.871 -16.042 1.00 58.73 C ATOM 1939 CG PHE A 212 -4.968 11.411 -17.321 1.00 58.75 C ATOM 1940 CD1 PHE A 212 -5.341 12.339 -18.290 1.00 58.71 C ATOM 1941 CD2 PHE A 212 -5.182 10.057 -17.574 1.00 58.80 C ATOM 1942 CE1 PHE A 212 -5.922 11.931 -19.479 1.00 59.16 C ATOM 1943 CE2 PHE A 212 -5.765 9.649 -18.768 1.00 58.59 C ATOM 1944 CZ PHE A 212 -6.135 10.584 -19.718 1.00 58.99 C ATOM 1945 H PHE A 212 -2.104 10.845 -16.894 1.00 0.00 H ATOM 1946 N ASN A 213 -1.753 12.351 -14.241 1.00 56.09 N ATOM 1947 CA ASN A 213 -0.995 12.760 -13.057 1.00 54.48 C ATOM 1948 C ASN A 213 -0.181 14.025 -13.341 1.00 52.55 C ATOM 1949 O ASN A 213 -0.262 14.995 -12.597 1.00 51.20 O ATOM 1950 CB ASN A 213 -0.072 11.625 -12.607 1.00 54.40 C ATOM 1951 CG ASN A 213 0.718 11.973 -11.365 1.00 54.25 C ATOM 1952 OD1 ASN A 213 1.925 12.212 -11.430 1.00 54.18 O ATOM 1953 ND2 ASN A 213 0.041 12.010 -10.224 1.00 54.30 N ATOM 1954 HD22 ASN A 213 -0.978 11.801 -10.217 1.00 0.00 H ATOM 1955 HD21 ASN A 213 0.529 12.248 -9.337 1.00 0.00 H ATOM 1956 H ASN A 213 -1.684 11.364 -14.561 1.00 0.00 H ATOM 1957 N SER A 214 0.581 13.994 -14.432 1.00 51.53 N ATOM 1958 CA SER A 214 1.272 15.177 -14.955 1.00 51.70 C ATOM 1959 C SER A 214 0.322 16.366 -15.133 1.00 51.54 C ATOM 1960 O SER A 214 0.579 17.452 -14.613 1.00 51.66 O ATOM 1961 CB SER A 214 1.957 14.848 -16.290 1.00 52.34 C ATOM 1962 OG SER A 214 2.325 16.023 -16.996 1.00 53.39 O ATOM 1963 HG SER A 214 2.762 15.771 -17.848 1.00 0.00 H ATOM 1964 H SER A 214 0.691 13.091 -14.936 1.00 0.00 H ATOM 1965 N VAL A 215 -0.779 16.140 -15.847 1.00 51.37 N ATOM 1966 CA VAL A 215 -1.745 17.199 -16.172 1.00 51.26 C ATOM 1967 C VAL A 215 -2.352 17.811 -14.908 1.00 50.29 C ATOM 1968 O VAL A 215 -2.300 19.026 -14.710 1.00 49.82 O ATOM 1969 CB VAL A 215 -2.865 16.667 -17.105 1.00 51.98 C ATOM 1970 CG1 VAL A 215 -4.016 17.655 -17.242 1.00 52.22 C ATOM 1971 CG2 VAL A 215 -2.304 16.373 -18.488 1.00 52.48 C ATOM 1972 H VAL A 215 -0.963 15.175 -16.189 1.00 0.00 H ATOM 1973 N LEU A 216 -2.917 16.950 -14.069 1.00 49.50 N ATOM 1974 CA LEU A 216 -3.589 17.356 -12.828 1.00 48.43 C ATOM 1975 C LEU A 216 -2.632 18.091 -11.892 1.00 46.99 C ATOM 1976 O LEU A 216 -2.978 19.125 -11.323 1.00 46.05 O ATOM 1977 CB LEU A 216 -4.175 16.117 -12.134 1.00 48.61 C ATOM 1978 CG LEU A 216 -5.241 16.234 -11.038 1.00 49.27 C ATOM 1979 CD1 LEU A 216 -6.374 17.195 -11.375 1.00 49.41 C ATOM 1980 CD2 LEU A 216 -5.808 14.847 -10.762 1.00 49.76 C ATOM 1981 H LEU A 216 -2.882 15.937 -14.303 1.00 0.00 H ATOM 1982 N SER A 217 -1.426 17.546 -11.758 1.00 46.27 N ATOM 1983 CA SER A 217 -0.348 18.176 -10.995 1.00 45.85 C ATOM 1984 C SER A 217 0.019 19.559 -11.537 1.00 44.87 C ATOM 1985 O SER A 217 0.153 20.513 -10.770 1.00 44.43 O ATOM 1986 CB SER A 217 0.883 17.270 -10.999 1.00 46.23 C ATOM 1987 OG SER A 217 1.912 17.791 -10.186 1.00 47.19 O ATOM 1988 HG SER A 217 1.586 17.873 -9.255 1.00 0.00 H ATOM 1989 H SER A 217 -1.241 16.631 -12.216 1.00 0.00 H ATOM 1990 N ARG A 218 0.174 19.660 -12.855 1.00 44.14 N ATOM 1991 CA ARG A 218 0.475 20.946 -13.500 1.00 43.95 C ATOM 1992 C ARG A 218 -0.674 21.939 -13.384 1.00 43.54 C ATOM 1993 O ARG A 218 -0.433 23.131 -13.203 1.00 43.16 O ATOM 1994 CB ARG A 218 0.872 20.756 -14.970 1.00 44.48 C ATOM 1995 CG ARG A 218 2.354 20.441 -15.157 1.00 44.75 C ATOM 1996 CD ARG A 218 2.589 19.431 -16.264 1.00 44.91 C ATOM 1997 NE ARG A 218 2.327 19.994 -17.586 1.00 44.78 N ATOM 1998 CZ ARG A 218 1.757 19.351 -18.608 1.00 44.75 C ATOM 1999 NH1 ARG A 218 1.327 18.089 -18.511 1.00 43.95 N ATOM 2000 NH2 ARG A 218 1.598 19.997 -19.753 1.00 45.41 N ATOM 2001 HE ARG A 218 2.609 20.982 -17.745 1.00 0.00 H ATOM 2002 HH12 ARG A 218 0.888 17.625 -19.332 1.00 0.00 H ATOM 2003 HH11 ARG A 218 1.431 17.572 -17.615 1.00 0.00 H ATOM 2004 HH22 ARG A 218 1.157 19.518 -20.564 1.00 0.00 H ATOM 2005 HH21 ARG A 218 1.914 20.984 -19.842 1.00 0.00 H ATOM 2006 H ARG A 218 0.080 18.808 -13.443 1.00 0.00 H ATOM 2007 N TYR A 219 -1.911 21.449 -13.483 1.00 43.66 N ATOM 2008 CA TYR A 219 -3.097 22.285 -13.274 1.00 43.17 C ATOM 2009 C TYR A 219 -3.076 22.918 -11.892 1.00 42.18 C ATOM 2010 O TYR A 219 -3.161 24.136 -11.759 1.00 42.01 O ATOM 2011 CB TYR A 219 -4.390 21.475 -13.423 1.00 44.28 C ATOM 2012 CG TYR A 219 -5.609 22.231 -12.941 1.00 45.55 C ATOM 2013 CD1 TYR A 219 -6.117 23.301 -13.671 1.00 46.11 C ATOM 2014 CD2 TYR A 219 -6.236 21.899 -11.739 1.00 46.20 C ATOM 2015 CE1 TYR A 219 -7.220 24.011 -13.228 1.00 46.42 C ATOM 2016 CE2 TYR A 219 -7.343 22.605 -11.289 1.00 46.40 C ATOM 2017 CZ TYR A 219 -7.831 23.658 -12.039 1.00 46.27 C ATOM 2018 OH TYR A 219 -8.927 24.362 -11.602 1.00 46.64 O ATOM 2019 HH TYR A 219 -9.140 25.076 -12.254 1.00 0.00 H ATOM 2020 H TYR A 219 -2.038 20.443 -13.716 1.00 0.00 H ATOM 2021 N ILE A 220 -2.971 22.063 -10.876 1.00 41.43 N ATOM 2022 CA ILE A 220 -2.945 22.477 -9.467 1.00 40.78 C ATOM 2023 C ILE A 220 -1.865 23.529 -9.202 1.00 41.82 C ATOM 2024 O ILE A 220 -2.118 24.515 -8.511 1.00 41.56 O ATOM 2025 CB ILE A 220 -2.772 21.241 -8.535 1.00 39.77 C ATOM 2026 CG1 ILE A 220 -4.080 20.427 -8.456 1.00 39.47 C ATOM 2027 CG2 ILE A 220 -2.297 21.617 -7.134 1.00 39.61 C ATOM 2028 CD1 ILE A 220 -5.265 21.119 -7.802 1.00 39.04 C ATOM 2029 H ILE A 220 -2.904 21.048 -11.092 1.00 0.00 H ATOM 2030 N GLN A 221 -0.678 23.324 -9.766 1.00 43.51 N ATOM 2031 CA GLN A 221 0.432 24.264 -9.585 1.00 44.57 C ATOM 2032 C GLN A 221 0.285 25.516 -10.447 1.00 43.95 C ATOM 2033 O GLN A 221 0.712 26.600 -10.039 1.00 43.43 O ATOM 2034 CB GLN A 221 1.764 23.561 -9.827 1.00 46.32 C ATOM 2035 CG GLN A 221 1.988 22.475 -8.784 1.00 48.49 C ATOM 2036 CD GLN A 221 3.318 21.731 -8.850 1.00 50.27 C ATOM 2037 OE1 GLN A 221 3.819 21.276 -7.813 1.00 51.61 O ATOM 2038 NE2 GLN A 221 3.886 21.580 -10.049 1.00 49.02 N ATOM 2039 HE22 GLN A 221 3.430 21.979 -10.894 1.00 0.00 H ATOM 2040 HE21 GLN A 221 4.784 21.063 -10.138 1.00 0.00 H ATOM 2041 H GLN A 221 -0.534 22.476 -10.350 1.00 0.00 H ATOM 2042 N CYS A 222 -0.324 25.368 -11.624 1.00 43.55 N ATOM 2043 CA CYS A 222 -0.678 26.510 -12.473 1.00 43.72 C ATOM 2044 C CYS A 222 -1.711 27.392 -11.786 1.00 43.76 C ATOM 2045 O CYS A 222 -1.589 28.622 -11.783 1.00 43.50 O ATOM 2046 CB CYS A 222 -1.227 26.037 -13.823 1.00 43.83 C ATOM 2047 SG CYS A 222 -1.809 27.362 -14.906 1.00 44.40 S ATOM 2048 H CYS A 222 -0.556 24.409 -11.951 1.00 0.00 H ATOM 2049 N THR A 223 -2.732 26.738 -11.233 1.00 43.46 N ATOM 2050 CA THR A 223 -3.783 27.373 -10.441 1.00 42.79 C ATOM 2051 C THR A 223 -3.188 28.110 -9.243 1.00 43.25 C ATOM 2052 O THR A 223 -3.456 29.296 -9.045 1.00 42.77 O ATOM 2053 CB THR A 223 -4.792 26.311 -9.951 1.00 42.56 C ATOM 2054 OG1 THR A 223 -5.317 25.594 -11.078 1.00 41.97 O ATOM 2055 CG2 THR A 223 -5.944 26.936 -9.169 1.00 42.80 C ATOM 2056 HG1 THR A 223 -4.575 25.148 -11.559 1.00 0.00 H ATOM 2057 H THR A 223 -2.784 25.709 -11.374 1.00 0.00 H ATOM 2058 N LYS A 224 -2.378 27.393 -8.462 1.00 43.70 N ATOM 2059 CA LYS A 224 -1.675 27.964 -7.303 1.00 44.00 C ATOM 2060 C LYS A 224 -0.942 29.260 -7.638 1.00 44.97 C ATOM 2061 O LYS A 224 -1.031 30.240 -6.894 1.00 45.05 O ATOM 2062 CB LYS A 224 -0.669 26.960 -6.731 1.00 43.68 C ATOM 2063 CG LYS A 224 -1.262 25.978 -5.737 1.00 43.93 C ATOM 2064 CD LYS A 224 -0.172 25.108 -5.136 1.00 43.92 C ATOM 2065 CE LYS A 224 -0.741 23.979 -4.299 1.00 43.38 C ATOM 2066 NZ LYS A 224 0.292 22.931 -4.096 1.00 43.77 N ATOM 2067 HZ1 LYS A 224 0.591 22.558 -5.019 1.00 0.00 H ATOM 2068 HZ2 LYS A 224 1.111 23.344 -3.606 1.00 0.00 H ATOM 2069 HZ3 LYS A 224 -0.106 22.161 -3.521 1.00 0.00 H ATOM 2070 H LYS A 224 -2.238 26.386 -8.682 1.00 0.00 H ATOM 2071 N LEU A 225 -0.231 29.250 -8.763 1.00 45.84 N ATOM 2072 CA LEU A 225 0.584 30.385 -9.186 1.00 46.92 C ATOM 2073 C LEU A 225 -0.256 31.626 -9.512 1.00 47.43 C ATOM 2074 O LEU A 225 0.043 32.717 -9.023 1.00 46.83 O ATOM 2075 CB LEU A 225 1.449 29.989 -10.387 1.00 47.65 C ATOM 2076 CG LEU A 225 2.431 31.025 -10.946 1.00 48.17 C ATOM 2077 CD1 LEU A 225 3.423 31.525 -9.903 1.00 47.78 C ATOM 2078 CD2 LEU A 225 3.164 30.424 -12.132 1.00 48.57 C ATOM 2079 H LEU A 225 -0.257 28.401 -9.364 1.00 0.00 H ATOM 2080 N GLN A 226 -1.296 31.448 -10.329 1.00 48.65 N ATOM 2081 CA GLN A 226 -2.239 32.531 -10.678 1.00 49.10 C ATOM 2082 C GLN A 226 -2.755 33.240 -9.437 1.00 49.57 C ATOM 2083 O GLN A 226 -2.658 34.461 -9.303 1.00 49.76 O ATOM 2084 CB GLN A 226 -3.458 31.969 -11.413 1.00 49.21 C ATOM 2085 CG GLN A 226 -3.199 31.479 -12.819 1.00 49.82 C ATOM 2086 CD GLN A 226 -4.270 30.517 -13.289 1.00 50.15 C ATOM 2087 OE1 GLN A 226 -5.395 30.920 -13.581 1.00 50.41 O ATOM 2088 NE2 GLN A 226 -3.927 29.237 -13.360 1.00 50.59 N ATOM 2089 HE22 GLN A 226 -2.963 28.942 -13.103 1.00 0.00 H ATOM 2090 HE21 GLN A 226 -4.622 28.529 -13.673 1.00 0.00 H ATOM 2091 H GLN A 226 -1.450 30.505 -10.739 1.00 0.00 H ATOM 2092 N LEU A 227 -3.288 32.434 -8.525 1.00 49.81 N ATOM 2093 CA LEU A 227 -3.969 32.926 -7.342 1.00 50.51 C ATOM 2094 C LEU A 227 -3.040 33.671 -6.381 1.00 51.84 C ATOM 2095 O LEU A 227 -3.506 34.551 -5.658 1.00 53.59 O ATOM 2096 CB LEU A 227 -4.675 31.768 -6.625 1.00 50.66 C ATOM 2097 CG LEU A 227 -5.767 31.017 -7.405 1.00 50.41 C ATOM 2098 CD1 LEU A 227 -6.254 29.817 -6.609 1.00 50.49 C ATOM 2099 CD2 LEU A 227 -6.938 31.915 -7.772 1.00 50.80 C ATOM 2100 H LEU A 227 -3.214 31.406 -8.665 1.00 0.00 H ATOM 2101 N GLU A 228 -1.746 33.339 -6.371 1.00 52.82 N ATOM 2102 CA GLU A 228 -0.776 34.092 -5.565 1.00 53.96 C ATOM 2103 C GLU A 228 -0.303 35.361 -6.271 1.00 55.55 C ATOM 2104 O GLU A 228 -0.189 36.416 -5.638 1.00 56.29 O ATOM 2105 CB GLU A 228 0.424 33.230 -5.148 1.00 53.78 C ATOM 2106 CG GLU A 228 1.425 34.006 -4.287 1.00 53.77 C ATOM 2107 CD GLU A 228 2.270 33.163 -3.348 1.00 53.51 C ATOM 2108 OE1 GLU A 228 1.945 31.981 -3.108 1.00 54.62 O ATOM 2109 OE2 GLU A 228 3.282 33.692 -2.838 1.00 53.04 O ATOM 2110 H GLU A 228 -1.420 32.534 -6.943 1.00 0.00 H ATOM 2111 N VAL A 229 -0.017 35.245 -7.568 1.00 57.13 N ATOM 2112 CA VAL A 229 0.432 36.378 -8.387 1.00 58.07 C ATOM 2113 C VAL A 229 -0.636 37.475 -8.452 1.00 59.83 C ATOM 2114 O VAL A 229 -0.362 38.630 -8.116 1.00 58.67 O ATOM 2115 CB VAL A 229 0.830 35.914 -9.817 1.00 57.71 C ATOM 2116 CG1 VAL A 229 1.030 37.090 -10.770 1.00 57.80 C ATOM 2117 CG2 VAL A 229 2.106 35.082 -9.766 1.00 57.48 C ATOM 2118 H VAL A 229 -0.116 34.313 -8.019 1.00 0.00 H ATOM 2119 N PHE A 230 -1.848 37.100 -8.860 1.00 63.08 N ATOM 2120 CA PHE A 230 -2.906 38.069 -9.162 1.00 66.62 C ATOM 2121 C PHE A 230 -3.866 38.313 -7.996 1.00 68.68 C ATOM 2122 O PHE A 230 -4.008 39.451 -7.543 1.00 71.55 O ATOM 2123 CB PHE A 230 -3.672 37.630 -10.411 1.00 67.97 C ATOM 2124 CG PHE A 230 -2.787 37.428 -11.616 1.00 69.85 C ATOM 2125 CD1 PHE A 230 -2.210 38.519 -12.263 1.00 70.47 C ATOM 2126 CD2 PHE A 230 -2.510 36.148 -12.096 1.00 71.10 C ATOM 2127 CE1 PHE A 230 -1.386 38.337 -13.367 1.00 71.29 C ATOM 2128 CE2 PHE A 230 -1.689 35.962 -13.199 1.00 71.67 C ATOM 2129 CZ PHE A 230 -1.125 37.056 -13.835 1.00 71.60 C ATOM 2130 H PHE A 230 -2.050 36.086 -8.968 1.00 0.00 H ATOM 2131 N CYS A 231 -4.501 37.254 -7.501 1.00 69.02 N ATOM 2132 CA CYS A 231 -5.552 37.380 -6.474 1.00 69.17 C ATOM 2133 C CYS A 231 -5.035 37.489 -5.031 1.00 68.56 C ATOM 2134 O CYS A 231 -5.819 37.724 -4.110 1.00 68.39 O ATOM 2135 CB CYS A 231 -6.517 36.205 -6.596 1.00 69.77 C ATOM 2136 SG CYS A 231 -6.947 35.859 -8.313 1.00 71.57 S ATOM 2137 H CYS A 231 -4.248 36.307 -7.849 1.00 0.00 H ATOM 2138 N ASP A 232 -3.723 37.333 -4.849 1.00 68.78 N ATOM 2139 CA ASP A 232 -3.070 37.342 -3.534 1.00 69.30 C ATOM 2140 C ASP A 232 -3.683 36.359 -2.521 1.00 65.34 C ATOM 2141 O ASP A 232 -4.115 36.727 -1.424 1.00 65.24 O ATOM 2142 CB ASP A 232 -2.968 38.764 -2.964 1.00 72.09 C ATOM 2143 CG ASP A 232 -1.847 38.896 -1.945 1.00 74.49 C ATOM 2144 OD1 ASP A 232 -0.673 39.027 -2.358 1.00 76.04 O ATOM 2145 OD2 ASP A 232 -2.142 38.859 -0.733 1.00 75.84 O ATOM 2146 H ASP A 232 -3.126 37.197 -5.690 1.00 0.00 H ATOM 2147 N TYR A 233 -3.735 35.101 -2.949 1.00 60.13 N ATOM 2148 CA TYR A 233 -3.742 33.954 -2.053 1.00 56.46 C ATOM 2149 C TYR A 233 -2.273 33.724 -1.706 1.00 55.61 C ATOM 2150 O TYR A 233 -1.396 34.218 -2.413 1.00 55.81 O ATOM 2151 CB TYR A 233 -4.287 32.717 -2.763 1.00 55.39 C ATOM 2152 CG TYR A 233 -5.785 32.701 -2.997 1.00 55.18 C ATOM 2153 CD1 TYR A 233 -6.377 33.523 -3.958 1.00 55.40 C ATOM 2154 CD2 TYR A 233 -6.610 31.835 -2.283 1.00 54.22 C ATOM 2155 CE1 TYR A 233 -7.748 33.493 -4.188 1.00 54.71 C ATOM 2156 CE2 TYR A 233 -7.980 31.800 -2.503 1.00 54.15 C ATOM 2157 CZ TYR A 233 -8.546 32.628 -3.455 1.00 54.16 C ATOM 2158 OH TYR A 233 -9.905 32.589 -3.672 1.00 53.40 O ATOM 2159 HH TYR A 233 -10.144 33.239 -4.380 1.00 0.00 H ATOM 2160 H TYR A 233 -3.772 34.928 -3.974 1.00 0.00 H ATOM 2161 N ASP A 234 -1.988 32.990 -0.632 1.00 54.37 N ATOM 2162 CA ASP A 234 -0.600 32.595 -0.336 1.00 52.60 C ATOM 2163 C ASP A 234 -0.425 31.081 -0.419 1.00 50.33 C ATOM 2164 O ASP A 234 -0.708 30.358 0.537 1.00 49.68 O ATOM 2165 CB ASP A 234 -0.135 33.124 1.023 1.00 53.45 C ATOM 2166 CG ASP A 234 1.327 32.798 1.309 1.00 54.93 C ATOM 2167 OD1 ASP A 234 2.167 32.888 0.386 1.00 56.17 O ATOM 2168 OD2 ASP A 234 1.638 32.449 2.464 1.00 57.26 O ATOM 2169 H ASP A 234 -2.754 32.692 0.005 1.00 0.00 H ATOM 2170 N PHE A 235 0.051 30.624 -1.578 1.00 48.13 N ATOM 2171 CA PHE A 235 0.343 29.212 -1.831 1.00 46.77 C ATOM 2172 C PHE A 235 1.851 28.924 -1.865 1.00 47.25 C ATOM 2173 O PHE A 235 2.286 27.978 -2.522 1.00 47.20 O ATOM 2174 CB PHE A 235 -0.322 28.776 -3.148 1.00 45.62 C ATOM 2175 CG PHE A 235 -1.810 28.597 -3.047 1.00 44.19 C ATOM 2176 CD1 PHE A 235 -2.341 27.525 -2.338 1.00 43.37 C ATOM 2177 CD2 PHE A 235 -2.683 29.482 -3.671 1.00 43.25 C ATOM 2178 CE1 PHE A 235 -3.711 27.346 -2.242 1.00 42.92 C ATOM 2179 CE2 PHE A 235 -4.055 29.305 -3.580 1.00 42.80 C ATOM 2180 CZ PHE A 235 -4.569 28.235 -2.866 1.00 42.70 C ATOM 2181 H PHE A 235 0.224 31.307 -2.343 1.00 0.00 H ATOM 2182 N LYS A 236 2.641 29.724 -1.144 1.00 48.94 N ATOM 2183 CA LYS A 236 4.107 29.563 -1.070 1.00 51.11 C ATOM 2184 C LYS A 236 4.815 29.565 -2.439 1.00 51.94 C ATOM 2185 O LYS A 236 5.807 28.865 -2.652 1.00 52.08 O ATOM 2186 CB LYS A 236 4.462 28.314 -0.254 1.00 51.76 C ATOM 2187 CG LYS A 236 4.063 28.435 1.202 1.00 53.32 C ATOM 2188 CD LYS A 236 4.327 27.151 1.958 1.00 55.30 C ATOM 2189 CE LYS A 236 4.329 27.398 3.457 1.00 57.63 C ATOM 2190 NZ LYS A 236 4.659 26.157 4.210 1.00 59.65 N ATOM 2191 HZ1 LYS A 236 3.952 25.425 3.996 1.00 0.00 H ATOM 2192 HZ2 LYS A 236 5.603 25.823 3.928 1.00 0.00 H ATOM 2193 HZ3 LYS A 236 4.652 26.360 5.230 1.00 0.00 H ATOM 2194 H LYS A 236 2.202 30.499 -0.608 1.00 0.00 H ATOM 2195 N GLN A 237 4.300 30.393 -3.344 1.00 52.51 N ATOM 2196 CA GLN A 237 4.822 30.545 -4.700 1.00 53.13 C ATOM 2197 C GLN A 237 5.765 31.749 -4.811 1.00 56.95 C ATOM 2198 O GLN A 237 6.076 32.191 -5.917 1.00 57.31 O ATOM 2199 CB GLN A 237 3.658 30.731 -5.681 1.00 51.85 C ATOM 2200 CG GLN A 237 2.554 29.689 -5.578 1.00 50.63 C ATOM 2201 CD GLN A 237 2.973 28.340 -6.133 1.00 49.66 C ATOM 2202 OE1 GLN A 237 3.426 28.249 -7.273 1.00 48.40 O ATOM 2203 NE2 GLN A 237 2.811 27.283 -5.339 1.00 49.73 N ATOM 2204 HE22 GLN A 237 2.424 27.406 -4.382 1.00 0.00 H ATOM 2205 HE21 GLN A 237 3.071 26.334 -5.676 1.00 0.00 H ATOM 2206 H GLN A 237 3.477 30.966 -3.070 1.00 0.00 H ATOM 2207 N ARG A 238 6.226 32.265 -3.672 1.00 61.69 N ATOM 2208 CA ARG A 238 7.063 33.463 -3.627 1.00 65.62 C ATOM 2209 C ARG A 238 8.402 33.242 -4.342 1.00 66.86 C ATOM 2210 O ARG A 238 8.870 34.108 -5.080 1.00 66.26 O ATOM 2211 CB ARG A 238 7.311 33.882 -2.168 1.00 68.34 C ATOM 2212 CG ARG A 238 7.383 35.389 -1.961 1.00 71.00 C ATOM 2213 CD ARG A 238 8.554 35.805 -1.088 1.00 73.16 C ATOM 2214 NE ARG A 238 9.061 37.110 -1.513 1.00 75.64 N ATOM 2215 CZ ARG A 238 10.340 37.497 -1.497 1.00 77.09 C ATOM 2216 NH1 ARG A 238 11.316 36.688 -1.073 1.00 77.84 N ATOM 2217 NH2 ARG A 238 10.654 38.720 -1.921 1.00 76.93 N ATOM 2218 HE ARG A 238 8.363 37.799 -1.859 1.00 0.00 H ATOM 2219 HH12 ARG A 238 12.302 37.019 -1.073 1.00 0.00 H ATOM 2220 HH11 ARG A 238 11.089 35.728 -0.743 1.00 0.00 H ATOM 2221 HH22 ARG A 238 11.645 39.034 -1.914 1.00 0.00 H ATOM 2222 HH21 ARG A 238 9.908 39.361 -2.259 1.00 0.00 H ATOM 2223 H ARG A 238 5.980 31.796 -2.777 1.00 0.00 H ATOM 2224 N GLU A 239 8.996 32.071 -4.119 1.00 70.08 N ATOM 2225 CA GLU A 239 10.266 31.689 -4.746 1.00 73.20 C ATOM 2226 C GLU A 239 10.113 31.426 -6.253 1.00 72.67 C ATOM 2227 O GLU A 239 11.025 31.706 -7.028 1.00 72.15 O ATOM 2228 CB GLU A 239 10.851 30.450 -4.047 1.00 75.87 C ATOM 2229 CG GLU A 239 12.359 30.274 -4.204 1.00 78.29 C ATOM 2230 CD GLU A 239 13.192 31.260 -3.390 1.00 80.92 C ATOM 2231 OE1 GLU A 239 14.434 31.222 -3.527 1.00 83.67 O ATOM 2232 OE2 GLU A 239 12.627 32.072 -2.619 1.00 80.82 O ATOM 2233 H GLU A 239 8.539 31.397 -3.472 1.00 0.00 H ATOM 2234 N ILE A 240 8.953 30.903 -6.651 1.00 73.23 N ATOM 2235 CA ILE A 240 8.635 30.638 -8.065 1.00 73.91 C ATOM 2236 C ILE A 240 8.499 31.971 -8.825 1.00 76.62 C ATOM 2237 O ILE A 240 8.923 32.079 -9.978 1.00 76.99 O ATOM 2238 CB ILE A 240 7.315 29.824 -8.242 1.00 72.48 C ATOM 2239 CG1 ILE A 240 7.268 28.546 -7.366 1.00 72.00 C ATOM 2240 CG2 ILE A 240 7.075 29.472 -9.711 1.00 72.25 C ATOM 2241 CD1 ILE A 240 8.078 27.362 -7.854 1.00 71.34 C ATOM 2242 H ILE A 240 8.240 30.671 -5.930 1.00 0.00 H ATOM 2243 N VAL A 241 7.897 32.967 -8.170 1.00 80.30 N ATOM 2244 CA VAL A 241 7.690 34.308 -8.746 1.00 82.81 C ATOM 2245 C VAL A 241 9.012 35.021 -9.059 1.00 86.70 C ATOM 2246 O VAL A 241 9.223 35.468 -10.191 1.00 87.75 O ATOM 2247 CB VAL A 241 6.793 35.176 -7.817 1.00 81.57 C ATOM 2248 CG1 VAL A 241 6.838 36.659 -8.174 1.00 81.36 C ATOM 2249 CG2 VAL A 241 5.360 34.677 -7.893 1.00 80.96 C ATOM 2250 H VAL A 241 7.557 32.787 -7.204 1.00 0.00 H ATOM 2251 N LYS A 242 9.888 35.126 -8.061 1.00 89.78 N ATOM 2252 CA LYS A 242 11.194 35.795 -8.232 1.00 91.99 C ATOM 2253 C LYS A 242 12.090 35.152 -9.300 1.00 91.23 C ATOM 2254 O LYS A 242 12.828 35.863 -9.984 1.00 91.75 O ATOM 2255 CB LYS A 242 11.950 35.942 -6.897 1.00 95.72 C ATOM 2256 CG LYS A 242 12.229 34.650 -6.135 1.00 99.62 C ATOM 2257 CD LYS A 242 12.784 34.903 -4.732 1.00102.52 C ATOM 2258 CE LYS A 242 14.291 34.694 -4.632 1.00104.26 C ATOM 2259 NZ LYS A 242 15.084 35.811 -5.217 1.00105.52 N ATOM 2260 HZ1 LYS A 242 14.848 35.911 -6.225 1.00 0.00 H ATOM 2261 HZ2 LYS A 242 14.857 36.694 -4.717 1.00 0.00 H ATOM 2262 HZ3 LYS A 242 16.098 35.605 -5.116 1.00 0.00 H ATOM 2263 H LYS A 242 9.645 34.725 -7.133 1.00 0.00 H ATOM 2264 N MET A 243 12.004 33.830 -9.464 1.00 91.49 N ATOM 2265 CA MET A 243 12.710 33.137 -10.560 1.00 92.40 C ATOM 2266 C MET A 243 12.122 33.396 -11.961 1.00 92.42 C ATOM 2267 O MET A 243 12.717 32.979 -12.957 1.00 93.40 O ATOM 2268 CB MET A 243 12.787 31.617 -10.304 1.00 92.87 C ATOM 2269 CG MET A 243 13.652 31.166 -9.126 1.00 93.46 C ATOM 2270 SD MET A 243 15.140 32.132 -8.774 1.00 94.43 S ATOM 2271 CE MET A 243 16.040 31.969 -10.311 1.00 92.87 C ATOM 2272 H MET A 243 11.425 33.274 -8.803 1.00 0.00 H ATOM 2273 N LEU A 244 10.967 34.062 -12.038 1.00 91.93 N ATOM 2274 CA LEU A 244 10.383 34.501 -13.311 1.00 92.51 C ATOM 2275 C LEU A 244 10.657 35.977 -13.639 1.00 95.34 C ATOM 2276 O LEU A 244 10.488 36.394 -14.787 1.00 96.74 O ATOM 2277 CB LEU A 244 8.879 34.211 -13.323 1.00 91.04 C ATOM 2278 CG LEU A 244 8.534 32.716 -13.333 1.00 90.22 C ATOM 2279 CD1 LEU A 244 7.100 32.485 -12.882 1.00 90.39 C ATOM 2280 CD2 LEU A 244 8.765 32.102 -14.707 1.00 89.44 C ATOM 2281 H LEU A 244 10.459 34.279 -11.157 1.00 0.00 H ATOM 2282 N THR A 245 11.070 36.758 -12.639 1.00 97.39 N ATOM 2283 CA THR A 245 11.562 38.125 -12.854 1.00 98.67 C ATOM 2284 C THR A 245 12.975 38.114 -13.461 1.00100.22 C ATOM 2285 O THR A 245 13.320 39.001 -14.245 1.00101.90 O ATOM 2286 CB THR A 245 11.574 38.929 -11.531 1.00 97.94 C ATOM 2287 OG1 THR A 245 10.349 38.707 -10.822 1.00 97.17 O ATOM 2288 CG2 THR A 245 11.736 40.426 -11.789 1.00 97.39 C ATOM 2289 HG1 THR A 245 10.256 37.742 -10.620 1.00 0.00 H ATOM 2290 H THR A 245 11.042 36.384 -11.669 1.00 0.00 H ATOM 2291 N SER A 246 13.780 37.114 -13.091 1.00100.51 N ATOM 2292 CA SER A 246 15.156 36.977 -13.579 1.00100.72 C ATOM 2293 C SER A 246 15.195 36.565 -15.050 1.00100.27 C ATOM 2294 O SER A 246 16.193 36.785 -15.739 1.00 99.74 O ATOM 2295 CB SER A 246 15.919 35.948 -12.737 1.00100.93 C ATOM 2296 OG SER A 246 17.285 35.883 -13.111 1.00102.08 O ATOM 2297 HG SER A 246 17.353 35.622 -14.064 1.00 0.00 H ATOM 2298 H SER A 246 13.415 36.401 -12.428 1.00 0.00 H TER 2299 SER A 246 ATOM 2300 N ALA C 478 -33.894 27.403 8.303 1.00 47.80 N ATOM 2301 CA ALA C 478 -33.476 26.764 7.018 1.00 47.48 C ATOM 2302 C ALA C 478 -33.259 25.252 7.140 1.00 46.64 C ATOM 2303 O ALA C 478 -33.840 24.496 6.362 1.00 47.34 O ATOM 2304 CB ALA C 478 -32.224 27.442 6.458 1.00 47.59 C ATOM 2305 HN3 ALA C 478 -33.159 27.247 9.022 1.00 0.00 H ATOM 2306 HN2 ALA C 478 -34.789 26.981 8.624 1.00 0.00 H ATOM 2307 HN1 ALA C 478 -34.024 28.424 8.155 1.00 0.00 H ATOM 2308 N CYS C 479 -32.458 24.816 8.120 1.00 45.22 N ATOM 2309 CA CYS C 479 -31.922 23.440 8.131 1.00 44.14 C ATOM 2310 C CYS C 479 -32.456 22.488 9.218 1.00 43.32 C ATOM 2311 O CYS C 479 -32.362 22.761 10.418 1.00 42.79 O ATOM 2312 CB CYS C 479 -30.395 23.476 8.186 1.00 43.66 C ATOM 2313 SG CYS C 479 -29.639 21.903 7.715 1.00 43.47 S ATOM 2314 H CYS C 479 -32.207 25.463 8.894 1.00 0.00 H ATOM 2315 N GLU C 480 -32.987 21.354 8.756 1.00 42.87 N ATOM 2316 CA GLU C 480 -33.496 20.276 9.608 1.00 42.81 C ATOM 2317 C GLU C 480 -32.367 19.510 10.283 1.00 42.77 C ATOM 2318 O GLU C 480 -32.461 19.168 11.464 1.00 42.12 O ATOM 2319 CB GLU C 480 -34.328 19.295 8.770 1.00 43.21 C ATOM 2320 CG GLU C 480 -35.224 18.373 9.588 1.00 43.56 C ATOM 2321 CD GLU C 480 -35.859 17.260 8.771 1.00 43.43 C ATOM 2322 OE1 GLU C 480 -36.298 16.270 9.391 1.00 43.36 O ATOM 2323 OE2 GLU C 480 -35.924 17.367 7.526 1.00 43.56 O ATOM 2324 H GLU C 480 -33.043 21.227 7.725 1.00 0.00 H ATOM 2325 N MET C 481 -31.323 19.220 9.504 1.00 43.34 N ATOM 2326 CA MET C 481 -30.105 18.550 9.989 1.00 43.38 C ATOM 2327 C MET C 481 -29.484 19.291 11.165 1.00 43.97 C ATOM 2328 O MET C 481 -29.174 18.690 12.193 1.00 43.71 O ATOM 2329 CB MET C 481 -29.056 18.480 8.879 1.00 42.91 C ATOM 2330 CG MET C 481 -29.390 17.558 7.726 1.00 42.70 C ATOM 2331 SD MET C 481 -28.858 15.879 8.069 1.00 42.56 S ATOM 2332 CE MET C 481 -28.623 15.292 6.393 1.00 43.24 C ATOM 2333 H MET C 481 -31.372 19.482 8.499 1.00 0.00 H ATOM 2334 N CYS C 482 -29.291 20.596 10.984 1.00 45.32 N ATOM 2335 CA CYS C 482 -28.729 21.466 12.016 1.00 46.84 C ATOM 2336 C CYS C 482 -29.566 21.444 13.284 1.00 48.99 C ATOM 2337 O CYS C 482 -29.025 21.303 14.379 1.00 49.39 O ATOM 2338 CB CYS C 482 -28.614 22.907 11.513 1.00 46.73 C ATOM 2339 SG CYS C 482 -27.394 23.142 10.197 1.00 45.49 S ATOM 2340 H CYS C 482 -29.551 21.015 10.068 1.00 0.00 H ATOM 2341 N ARG C 483 -30.883 21.554 13.125 1.00 52.69 N ATOM 2342 CA ARG C 483 -31.809 21.574 14.265 1.00 55.19 C ATOM 2343 C ARG C 483 -31.773 20.271 15.067 1.00 55.21 C ATOM 2344 O ARG C 483 -31.821 20.295 16.296 1.00 55.20 O ATOM 2345 CB ARG C 483 -33.238 21.873 13.794 1.00 57.32 C ATOM 2346 CG ARG C 483 -34.099 22.582 14.835 1.00 60.12 C ATOM 2347 CD ARG C 483 -34.778 23.808 14.242 1.00 62.15 C ATOM 2348 NE ARG C 483 -35.651 23.454 13.125 1.00 64.52 N ATOM 2349 CZ ARG C 483 -36.246 24.323 12.307 1.00 65.26 C ATOM 2350 NH1 ARG C 483 -36.084 25.639 12.448 1.00 64.02 N ATOM 2351 NH2 ARG C 483 -37.016 23.865 11.329 1.00 65.79 N ATOM 2352 HE ARG C 483 -35.822 22.443 12.954 1.00 0.00 H ATOM 2353 HH12 ARG C 483 -36.560 26.294 11.796 1.00 0.00 H ATOM 2354 HH11 ARG C 483 -35.482 26.010 13.210 1.00 0.00 H ATOM 2355 HH22 ARG C 483 -37.487 24.530 10.683 1.00 0.00 H ATOM 2356 HH21 ARG C 483 -37.149 22.841 11.208 1.00 0.00 H ATOM 2357 H ARG C 483 -31.269 21.628 12.162 1.00 0.00 H ATOM 2358 N LEU C 484 -31.665 19.147 14.358 1.00 56.14 N ATOM 2359 CA LEU C 484 -31.463 17.829 14.977 1.00 56.95 C ATOM 2360 C LEU C 484 -30.041 17.592 15.518 1.00 57.25 C ATOM 2361 O LEU C 484 -29.797 16.564 16.156 1.00 58.41 O ATOM 2362 CB LEU C 484 -31.805 16.710 13.977 1.00 57.67 C ATOM 2363 CG LEU C 484 -33.274 16.500 13.604 1.00 58.89 C ATOM 2364 CD1 LEU C 484 -33.383 15.531 12.436 1.00 59.43 C ATOM 2365 CD2 LEU C 484 -34.081 15.980 14.786 1.00 59.59 C ATOM 2366 H LEU C 484 -31.726 19.205 13.321 1.00 0.00 H ATOM 2367 N GLY C 485 -29.113 18.520 15.267 1.00 56.69 N ATOM 2368 CA GLY C 485 -27.720 18.378 15.681 1.00 56.51 C ATOM 2369 C GLY C 485 -27.078 17.141 15.084 1.00 56.59 C ATOM 2370 O GLY C 485 -26.625 16.260 15.814 1.00 57.23 O ATOM 2371 H GLY C 485 -29.395 19.380 14.755 1.00 0.00 H ATOM 2372 N LEU C 486 -27.066 17.075 13.754 1.00 56.28 N ATOM 2373 CA LEU C 486 -26.535 15.926 13.017 1.00 55.21 C ATOM 2374 C LEU C 486 -25.441 16.384 12.047 1.00 53.15 C ATOM 2375 O LEU C 486 -25.475 17.528 11.589 1.00 52.19 O ATOM 2376 CB LEU C 486 -27.663 15.225 12.255 1.00 56.39 C ATOM 2377 CG LEU C 486 -28.661 14.424 13.100 1.00 57.53 C ATOM 2378 CD1 LEU C 486 -29.896 14.073 12.281 1.00 58.38 C ATOM 2379 CD2 LEU C 486 -28.022 13.159 13.660 1.00 57.94 C ATOM 2380 H LEU C 486 -27.451 17.876 13.214 1.00 0.00 H ATOM 2381 N PRO C 487 -24.461 15.502 11.742 1.00 50.47 N ATOM 2382 CA PRO C 487 -23.363 15.874 10.831 1.00 48.79 C ATOM 2383 C PRO C 487 -23.760 15.935 9.355 1.00 46.27 C ATOM 2384 O PRO C 487 -24.477 15.062 8.869 1.00 46.97 O ATOM 2385 CB PRO C 487 -22.313 14.779 11.059 1.00 49.51 C ATOM 2386 CG PRO C 487 -23.061 13.636 11.623 1.00 49.81 C ATOM 2387 CD PRO C 487 -24.222 14.198 12.386 1.00 49.96 C ATOM 2388 N HIS C 488 -23.263 16.961 8.665 1.00 43.85 N ATOM 2389 CA HIS C 488 -23.602 17.250 7.265 1.00 41.95 C ATOM 2390 C HIS C 488 -22.803 18.475 6.796 1.00 41.40 C ATOM 2391 O HIS C 488 -22.488 19.359 7.601 1.00 41.18 O ATOM 2392 CB HIS C 488 -25.105 17.535 7.107 1.00 40.91 C ATOM 2393 CG HIS C 488 -25.577 18.719 7.892 1.00 39.76 C ATOM 2394 ND1 HIS C 488 -25.582 18.749 9.270 1.00 39.36 N ATOM 2395 CD2 HIS C 488 -26.038 19.925 7.491 1.00 39.05 C ATOM 2396 CE1 HIS C 488 -26.034 19.916 9.684 1.00 38.83 C ATOM 2397 NE2 HIS C 488 -26.319 20.646 8.625 1.00 38.57 N ATOM 2398 H HIS C 488 -22.595 17.596 9.147 1.00 0.00 H ATOM 2399 N GLY C 489 -22.485 18.520 5.504 1.00 40.72 N ATOM 2400 CA GLY C 489 -21.768 19.655 4.906 1.00 40.52 C ATOM 2401 C GLY C 489 -20.388 19.306 4.380 1.00 40.01 C ATOM 2402 O GLY C 489 -19.906 18.188 4.555 1.00 40.57 O ATOM 2403 H GLY C 489 -22.754 17.721 4.895 1.00 0.00 H ATOM 2404 N SER C 490 -19.757 20.290 3.745 1.00 39.25 N ATOM 2405 CA SER C 490 -18.457 20.133 3.082 1.00 39.16 C ATOM 2406 C SER C 490 -17.384 19.435 3.924 1.00 39.28 C ATOM 2407 O SER C 490 -16.741 18.487 3.465 1.00 39.62 O ATOM 2408 CB SER C 490 -17.944 21.509 2.656 1.00 39.30 C ATOM 2409 OG SER C 490 -18.796 22.080 1.682 1.00 39.85 O ATOM 2410 HG SER C 490 -18.447 22.969 1.420 1.00 0.00 H ATOM 2411 H SER C 490 -20.211 21.225 3.717 1.00 0.00 H ATOM 2412 N PHE C 491 -17.214 19.903 5.156 1.00 38.98 N ATOM 2413 CA PHE C 491 -16.147 19.421 6.035 1.00 38.55 C ATOM 2414 C PHE C 491 -16.393 17.978 6.470 1.00 39.89 C ATOM 2415 O PHE C 491 -15.455 17.180 6.529 1.00 40.15 O ATOM 2416 CB PHE C 491 -15.973 20.361 7.240 1.00 37.40 C ATOM 2417 CG PHE C 491 -15.500 21.739 6.857 1.00 36.28 C ATOM 2418 CD1 PHE C 491 -14.142 22.022 6.755 1.00 36.17 C ATOM 2419 CD2 PHE C 491 -16.412 22.745 6.561 1.00 35.82 C ATOM 2420 CE1 PHE C 491 -13.707 23.287 6.380 1.00 35.84 C ATOM 2421 CE2 PHE C 491 -15.983 24.009 6.187 1.00 35.77 C ATOM 2422 CZ PHE C 491 -14.628 24.280 6.093 1.00 35.90 C ATOM 2423 H PHE C 491 -17.861 20.637 5.508 1.00 0.00 H ATOM 2424 N PHE C 492 -17.654 17.644 6.744 1.00 41.64 N ATOM 2425 CA PHE C 492 -18.044 16.268 7.067 1.00 43.38 C ATOM 2426 C PHE C 492 -17.919 15.326 5.867 1.00 44.33 C ATOM 2427 O PHE C 492 -17.470 14.189 6.022 1.00 45.06 O ATOM 2428 CB PHE C 492 -19.474 16.220 7.611 1.00 44.15 C ATOM 2429 CG PHE C 492 -19.927 14.837 7.993 1.00 45.45 C ATOM 2430 CD1 PHE C 492 -19.260 14.120 8.983 1.00 46.06 C ATOM 2431 CD2 PHE C 492 -21.016 14.244 7.359 1.00 46.44 C ATOM 2432 CE1 PHE C 492 -19.669 12.842 9.335 1.00 46.42 C ATOM 2433 CE2 PHE C 492 -21.434 12.970 7.712 1.00 46.83 C ATOM 2434 CZ PHE C 492 -20.758 12.267 8.701 1.00 46.94 C ATOM 2435 H PHE C 492 -18.385 18.384 6.728 1.00 0.00 H ATOM 2436 N GLU C 493 -18.328 15.786 4.684 1.00 45.17 N ATOM 2437 CA GLU C 493 -18.134 15.006 3.458 1.00 45.79 C ATOM 2438 C GLU C 493 -16.648 14.814 3.158 1.00 45.23 C ATOM 2439 O GLU C 493 -16.240 13.734 2.735 1.00 45.90 O ATOM 2440 CB GLU C 493 -18.838 15.652 2.251 1.00 47.16 C ATOM 2441 CG GLU C 493 -20.367 15.682 2.305 1.00 48.81 C ATOM 2442 CD GLU C 493 -21.000 14.400 2.835 1.00 50.37 C ATOM 2443 OE1 GLU C 493 -20.631 13.300 2.365 1.00 52.29 O ATOM 2444 OE2 GLU C 493 -21.873 14.494 3.725 1.00 51.01 O ATOM 2445 H GLU C 493 -18.793 16.715 4.630 1.00 0.00 H ATOM 2446 N LEU C 494 -15.849 15.855 3.391 1.00 44.57 N ATOM 2447 CA LEU C 494 -14.393 15.769 3.240 1.00 44.08 C ATOM 2448 C LEU C 494 -13.780 14.785 4.228 1.00 43.83 C ATOM 2449 O LEU C 494 -12.932 13.982 3.849 1.00 44.02 O ATOM 2450 CB LEU C 494 -13.745 17.140 3.427 1.00 43.71 C ATOM 2451 CG LEU C 494 -12.251 17.231 3.090 1.00 43.00 C ATOM 2452 CD1 LEU C 494 -12.039 17.471 1.606 1.00 43.01 C ATOM 2453 CD2 LEU C 494 -11.590 18.335 3.894 1.00 42.69 C ATOM 2454 H LEU C 494 -16.272 16.757 3.689 1.00 0.00 H ATOM 2455 N LEU C 495 -14.197 14.865 5.489 1.00 43.89 N ATOM 2456 CA LEU C 495 -13.730 13.938 6.522 1.00 44.50 C ATOM 2457 C LEU C 495 -13.921 12.489 6.082 1.00 46.78 C ATOM 2458 O LEU C 495 -12.976 11.712 6.101 1.00 47.55 O ATOM 2459 CB LEU C 495 -14.457 14.189 7.851 1.00 43.52 C ATOM 2460 CG LEU C 495 -14.344 13.131 8.955 1.00 42.17 C ATOM 2461 CD1 LEU C 495 -12.916 13.018 9.466 1.00 42.11 C ATOM 2462 CD2 LEU C 495 -15.305 13.452 10.085 1.00 41.55 C ATOM 2463 H LEU C 495 -14.876 15.609 5.749 1.00 0.00 H ATOM 2464 N ARG C 496 -15.143 12.149 5.675 1.00 49.87 N ATOM 2465 CA ARG C 496 -15.482 10.785 5.236 1.00 52.44 C ATOM 2466 C ARG C 496 -14.614 10.295 4.079 1.00 51.36 C ATOM 2467 O ARG C 496 -14.118 9.170 4.101 1.00 51.40 O ATOM 2468 CB ARG C 496 -16.951 10.708 4.821 1.00 55.89 C ATOM 2469 CG ARG C 496 -17.917 10.776 5.988 1.00 58.98 C ATOM 2470 CD ARG C 496 -19.319 11.133 5.528 1.00 62.46 C ATOM 2471 NE ARG C 496 -20.006 10.043 4.838 1.00 64.46 N ATOM 2472 CZ ARG C 496 -21.280 10.081 4.438 1.00 67.15 C ATOM 2473 NH1 ARG C 496 -22.034 11.163 4.646 1.00 67.67 N ATOM 2474 NH2 ARG C 496 -21.810 9.028 3.821 1.00 68.96 N ATOM 2475 HE ARG C 496 -19.465 9.176 4.645 1.00 0.00 H ATOM 2476 HH12 ARG C 496 -23.024 11.176 4.328 1.00 0.00 H ATOM 2477 HH11 ARG C 496 -21.631 11.993 5.126 1.00 0.00 H ATOM 2478 HH22 ARG C 496 -22.801 9.053 3.508 1.00 0.00 H ATOM 2479 HH21 ARG C 496 -21.233 8.180 3.652 1.00 0.00 H ATOM 2480 H ARG C 496 -15.887 12.876 5.667 1.00 0.00 H ATOM 2481 N ASP C 497 -14.439 11.154 3.079 1.00 50.19 N ATOM 2482 CA ASP C 497 -13.632 10.838 1.898 1.00 49.86 C ATOM 2483 C ASP C 497 -12.146 10.693 2.225 1.00 49.37 C ATOM 2484 O ASP C 497 -11.464 9.841 1.657 1.00 50.66 O ATOM 2485 CB ASP C 497 -13.806 11.925 0.829 1.00 50.17 C ATOM 2486 CG ASP C 497 -15.224 11.996 0.279 1.00 49.92 C ATOM 2487 OD1 ASP C 497 -16.078 11.167 0.669 1.00 49.68 O ATOM 2488 OD2 ASP C 497 -15.483 12.897 -0.545 1.00 49.18 O ATOM 2489 H ASP C 497 -14.893 12.088 3.138 1.00 0.00 H ATOM 2490 N TRP C 498 -11.655 11.539 3.128 1.00 48.23 N ATOM 2491 CA TRP C 498 -10.259 11.496 3.577 1.00 46.78 C ATOM 2492 C TRP C 498 -9.945 10.156 4.247 1.00 47.52 C ATOM 2493 O TRP C 498 -8.946 9.513 3.924 1.00 47.07 O ATOM 2494 CB TRP C 498 -9.986 12.652 4.546 1.00 45.55 C ATOM 2495 CG TRP C 498 -8.548 12.957 4.736 1.00 44.76 C ATOM 2496 CD1 TRP C 498 -7.684 12.326 5.574 1.00 44.55 C ATOM 2497 CD2 TRP C 498 -7.797 13.981 4.078 1.00 43.91 C ATOM 2498 NE1 TRP C 498 -6.434 12.886 5.478 1.00 43.58 N ATOM 2499 CE2 TRP C 498 -6.475 13.906 4.566 1.00 42.95 C ATOM 2500 CE3 TRP C 498 -8.111 14.956 3.120 1.00 44.08 C ATOM 2501 CZ2 TRP C 498 -5.466 14.768 4.133 1.00 42.73 C ATOM 2502 CZ3 TRP C 498 -7.101 15.816 2.686 1.00 43.52 C ATOM 2503 CH2 TRP C 498 -5.796 15.712 3.195 1.00 42.95 C ATOM 2504 HE1 TRP C 498 -5.593 12.584 6.011 1.00 0.00 H ATOM 2505 H TRP C 498 -12.287 12.260 3.532 1.00 0.00 H ATOM 2506 N LYS C 499 -10.829 9.748 5.160 1.00 49.18 N ATOM 2507 CA LYS C 499 -10.733 8.463 5.875 1.00 50.10 C ATOM 2508 C LYS C 499 -10.768 7.281 4.900 1.00 48.57 C ATOM 2509 O LYS C 499 -10.001 6.329 5.046 1.00 48.07 O ATOM 2510 CB LYS C 499 -11.888 8.293 6.877 1.00 52.09 C ATOM 2511 CG LYS C 499 -12.061 9.388 7.934 1.00 54.23 C ATOM 2512 CD LYS C 499 -11.419 9.085 9.283 1.00 57.02 C ATOM 2513 CE LYS C 499 -10.129 9.869 9.487 1.00 58.69 C ATOM 2514 NZ LYS C 499 -9.464 9.542 10.782 1.00 59.25 N ATOM 2515 HZ1 LYS C 499 -10.107 9.769 11.567 1.00 0.00 H ATOM 2516 HZ2 LYS C 499 -9.232 8.529 10.805 1.00 0.00 H ATOM 2517 HZ3 LYS C 499 -8.592 10.101 10.873 1.00 0.00 H ATOM 2518 H LYS C 499 -11.631 10.372 5.379 1.00 0.00 H ATOM 2519 N LYS C 500 -11.677 7.351 3.925 1.00 47.54 N ATOM 2520 CA LYS C 500 -11.801 6.329 2.873 1.00 47.19 C ATOM 2521 C LYS C 500 -10.473 6.069 2.169 1.00 46.77 C ATOM 2522 O LYS C 500 -10.075 4.916 1.992 1.00 46.51 O ATOM 2523 CB LYS C 500 -12.832 6.742 1.815 1.00 47.29 C ATOM 2524 CG LYS C 500 -14.277 6.387 2.125 1.00 47.45 C ATOM 2525 CD LYS C 500 -15.089 6.357 0.835 1.00 48.01 C ATOM 2526 CE LYS C 500 -16.515 6.848 1.014 1.00 48.48 C ATOM 2527 NZ LYS C 500 -17.080 7.263 -0.300 1.00 48.77 N ATOM 2528 HZ1 LYS C 500 -16.501 8.030 -0.698 1.00 0.00 H ATOM 2529 HZ2 LYS C 500 -17.076 6.451 -0.950 1.00 0.00 H ATOM 2530 HZ3 LYS C 500 -18.056 7.597 -0.166 1.00 0.00 H ATOM 2531 H LYS C 500 -12.326 8.163 3.908 1.00 0.00 H ATOM 2532 N ILE C 501 -9.809 7.153 1.770 1.00 46.52 N ATOM 2533 CA ILE C 501 -8.489 7.088 1.129 1.00 46.27 C ATOM 2534 C ILE C 501 -7.452 6.551 2.122 1.00 47.73 C ATOM 2535 O ILE C 501 -6.637 5.698 1.771 1.00 46.93 O ATOM 2536 CB ILE C 501 -8.025 8.472 0.600 1.00 44.52 C ATOM 2537 CG1 ILE C 501 -8.997 9.013 -0.454 1.00 44.16 C ATOM 2538 CG2 ILE C 501 -6.635 8.383 -0.028 1.00 44.23 C ATOM 2539 CD1 ILE C 501 -8.898 10.510 -0.663 1.00 44.37 C ATOM 2540 H ILE C 501 -10.244 8.086 1.919 1.00 0.00 H ATOM 2541 N GLU C 502 -7.484 7.070 3.349 1.00 50.00 N ATOM 2542 CA GLU C 502 -6.570 6.637 4.411 1.00 51.78 C ATOM 2543 C GLU C 502 -6.594 5.130 4.635 1.00 53.98 C ATOM 2544 O GLU C 502 -5.569 4.469 4.468 1.00 54.70 O ATOM 2545 CB GLU C 502 -6.877 7.353 5.730 1.00 51.73 C ATOM 2546 CG GLU C 502 -6.236 8.722 5.841 1.00 51.39 C ATOM 2547 CD GLU C 502 -6.488 9.394 7.174 1.00 51.67 C ATOM 2548 OE1 GLU C 502 -5.881 10.451 7.401 1.00 50.97 O ATOM 2549 OE2 GLU C 502 -7.282 8.881 7.993 1.00 52.57 O ATOM 2550 H GLU C 502 -8.183 7.810 3.561 1.00 0.00 H ATOM 2551 N GLU C 503 -7.760 4.596 4.995 1.00 56.77 N ATOM 2552 CA GLU C 503 -7.896 3.161 5.287 1.00 59.71 C ATOM 2553 C GLU C 503 -7.506 2.269 4.100 1.00 60.03 C ATOM 2554 O GLU C 503 -6.954 1.186 4.292 1.00 61.61 O ATOM 2555 CB GLU C 503 -9.311 2.813 5.785 1.00 62.15 C ATOM 2556 CG GLU C 503 -10.445 2.941 4.764 1.00 64.33 C ATOM 2557 CD GLU C 503 -11.637 2.052 5.087 1.00 66.76 C ATOM 2558 OE1 GLU C 503 -11.447 0.826 5.248 1.00 68.45 O ATOM 2559 OE2 GLU C 503 -12.771 2.577 5.162 1.00 67.37 O ATOM 2560 H GLU C 503 -8.596 5.210 5.072 1.00 0.00 H ATOM 2561 N PHE C 504 -7.797 2.737 2.888 1.00 59.90 N ATOM 2562 CA PHE C 504 -7.385 2.071 1.649 1.00 60.35 C ATOM 2563 C PHE C 504 -5.862 1.978 1.567 1.00 61.57 C ATOM 2564 O PHE C 504 -5.317 0.910 1.291 1.00 62.86 O ATOM 2565 CB PHE C 504 -7.954 2.840 0.446 1.00 60.38 C ATOM 2566 CG PHE C 504 -7.494 2.338 -0.899 1.00 60.65 C ATOM 2567 CD1 PHE C 504 -8.011 1.165 -1.437 1.00 60.73 C ATOM 2568 CD2 PHE C 504 -6.572 3.065 -1.651 1.00 61.08 C ATOM 2569 CE1 PHE C 504 -7.605 0.716 -2.688 1.00 60.63 C ATOM 2570 CE2 PHE C 504 -6.163 2.618 -2.901 1.00 60.98 C ATOM 2571 CZ PHE C 504 -6.679 1.443 -3.420 1.00 60.48 C ATOM 2572 H PHE C 504 -8.344 3.619 2.817 1.00 0.00 H ATOM 2573 N ARG C 505 -5.191 3.096 1.836 1.00 62.20 N ATOM 2574 CA ARG C 505 -3.727 3.180 1.750 1.00 61.97 C ATOM 2575 C ARG C 505 -2.973 2.580 2.941 1.00 66.13 C ATOM 2576 O ARG C 505 -1.765 2.342 2.840 1.00 66.26 O ATOM 2577 CB ARG C 505 -3.292 4.631 1.536 1.00 58.91 C ATOM 2578 CG ARG C 505 -3.527 5.110 0.119 1.00 56.41 C ATOM 2579 CD ARG C 505 -2.939 6.488 -0.088 1.00 54.66 C ATOM 2580 NE ARG C 505 -3.230 7.004 -1.428 1.00 53.04 N ATOM 2581 CZ ARG C 505 -3.425 8.289 -1.737 1.00 51.56 C ATOM 2582 NH1 ARG C 505 -3.396 9.244 -0.808 1.00 51.44 N ATOM 2583 NH2 ARG C 505 -3.679 8.626 -2.998 1.00 51.39 N ATOM 2584 HE ARG C 505 -3.290 6.313 -2.203 1.00 0.00 H ATOM 2585 HH12 ARG C 505 -3.551 10.236 -1.077 1.00 0.00 H ATOM 2586 HH11 ARG C 505 -3.218 8.997 0.186 1.00 0.00 H ATOM 2587 HH22 ARG C 505 -3.832 9.624 -3.249 1.00 0.00 H ATOM 2588 HH21 ARG C 505 -3.724 7.892 -3.733 1.00 0.00 H ATOM 2589 H ARG C 505 -5.724 3.943 2.118 1.00 0.00 H ATOM 2590 N ASN C 506 -3.672 2.341 4.052 1.00 71.52 N ATOM 2591 CA ASN C 506 -3.083 1.681 5.230 1.00 76.92 C ATOM 2592 C ASN C 506 -2.481 0.300 4.936 1.00 82.29 C ATOM 2593 O ASN C 506 -1.526 -0.108 5.603 1.00 83.73 O ATOM 2594 CB ASN C 506 -4.111 1.570 6.371 1.00 77.15 C ATOM 2595 CG ASN C 506 -4.405 2.909 7.043 1.00 77.35 C ATOM 2596 OD1 ASN C 506 -3.788 3.934 6.738 1.00 76.74 O ATOM 2597 ND2 ASN C 506 -5.355 2.901 7.973 1.00 77.14 N ATOM 2598 HD22 ASN C 506 -5.852 2.016 8.201 1.00 0.00 H ATOM 2599 HD21 ASN C 506 -5.601 3.779 8.472 1.00 0.00 H ATOM 2600 H ASN C 506 -4.670 2.631 4.088 1.00 0.00 H ATOM 2601 N LYS C 507 -3.044 -0.406 3.952 1.00 88.13 N ATOM 2602 CA LYS C 507 -2.454 -1.649 3.425 1.00 91.67 C ATOM 2603 C LYS C 507 -1.809 -1.498 2.034 1.00 94.02 C ATOM 2604 O LYS C 507 -0.767 -2.107 1.777 1.00 96.34 O ATOM 2605 CB LYS C 507 -3.488 -2.788 3.413 1.00 91.90 C ATOM 2606 CG LYS C 507 -3.393 -3.740 4.607 1.00 91.96 C ATOM 2607 CD LYS C 507 -3.369 -5.197 4.163 1.00 91.71 C ATOM 2608 CE LYS C 507 -2.012 -5.585 3.586 1.00 91.78 C ATOM 2609 NZ LYS C 507 -2.133 -6.583 2.488 1.00 91.66 N ATOM 2610 HZ1 LYS C 507 -2.588 -7.444 2.853 1.00 0.00 H ATOM 2611 HZ2 LYS C 507 -2.709 -6.183 1.720 1.00 0.00 H ATOM 2612 HZ3 LYS C 507 -1.186 -6.816 2.127 1.00 0.00 H ATOM 2613 H LYS C 507 -3.936 -0.064 3.541 1.00 0.00 H ATOM 2614 N SER C 508 -2.426 -0.711 1.148 1.00 95.22 N ATOM 2615 CA SER C 508 -1.885 -0.473 -0.208 1.00 94.97 C ATOM 2616 C SER C 508 -0.550 0.276 -0.181 1.00 94.28 C ATOM 2617 O SER C 508 0.176 0.307 -1.177 1.00 92.14 O ATOM 2618 CB SER C 508 -2.890 0.299 -1.085 1.00 94.80 C ATOM 2619 OG SER C 508 -3.776 -0.587 -1.749 1.00 94.01 O ATOM 2620 HG SER C 508 -4.409 -0.065 -2.304 1.00 0.00 H ATOM 2621 H SER C 508 -3.317 -0.250 1.421 1.00 0.00 H TER 2622 SER C 508 HETATM 2623 ZN ZN A 1 -27.321 22.381 8.419 1.00 46.58 ZN HETATM 2624 O HOH 2 8.800 11.334 -6.393 1.00 41.03 O HETATM 2625 O HOH 3 4.094 40.003 -15.361 1.00 48.88 O HETATM 2626 O HOH 4 -19.793 6.710 0.859 1.00 30.70 O HETATM 2627 N ASN A 5 6.558 37.035 -20.697 1.00 0.24 N HETATM 2628 CA ASN A 5 5.217 36.934 -21.370 1.00 0.08 C HETATM 2629 C ASN A 5 5.211 35.888 -22.499 1.00 0.23 C HETATM 2630 O ASN A 5 4.852 36.177 -23.646 1.00 -0.39 O HETATM 2631 N ASN A 5 5.610 34.667 -22.143 1.00 -0.26 N HETATM 2632 CA ASN A 5 5.679 33.550 -23.083 1.00 0.15 C HETATM 2633 C ASN A 5 4.287 32.994 -23.361 1.00 0.21 C HETATM 2634 O ASN A 5 3.361 33.184 -22.567 1.00 -0.39 O HETATM 2635 N ASN A 5 4.157 32.308 -24.493 1.00 -0.26 N HETATM 2636 CA ASN A 5 2.917 31.613 -24.861 1.00 0.14 C HETATM 2637 C ASN A 5 2.875 30.167 -24.335 1.00 0.21 C HETATM 2638 O ASN A 5 1.881 29.465 -24.537 1.00 -0.39 O HETATM 2639 N ASN A 5 3.953 29.733 -23.676 1.00 -0.26 N HETATM 2640 CA ASN A 5 4.000 28.468 -22.943 1.00 0.15 C HETATM 2641 C ASN A 5 4.638 28.680 -21.574 1.00 0.21 C HETATM 2642 O ASN A 5 5.656 29.369 -21.469 1.00 -0.39 O HETATM 2643 N ASN A 5 4.027 28.106 -20.533 1.00 -0.26 N HETATM 2644 CA ASN A 5 4.584 28.104 -19.166 1.00 0.13 C HETATM 2645 C ASN A 5 4.470 26.690 -18.574 1.00 0.20 C HETATM 2646 O ASN A 5 5.484 26.021 -18.367 1.00 -0.39 O HETATM 2647 N ASN A 5 3.241 26.247 -18.313 1.00 -0.26 N HETATM 2648 CA ASN A 5 2.967 24.913 -17.757 1.00 0.14 C HETATM 2649 C ASN A 5 2.652 23.847 -18.813 1.00 0.21 C HETATM 2650 O ASN A 5 2.741 22.651 -18.518 1.00 -0.39 O HETATM 2651 N ASN A 5 2.274 24.275 -20.021 1.00 -0.26 N HETATM 2652 CA ASN A 5 1.967 23.356 -21.121 1.00 0.13 C HETATM 2653 C ASN A 5 3.046 23.459 -22.194 1.00 0.20 C HETATM 2654 O ASN A 5 3.426 24.559 -22.603 1.00 -0.39 O HETATM 2655 N ASN A 5 3.529 22.298 -22.637 1.00 -0.26 N HETATM 2656 CA ASN A 5 4.552 22.213 -23.678 1.00 0.13 C HETATM 2657 C ASN A 5 3.934 22.591 -25.036 1.00 0.21 C HETATM 2658 O ASN A 5 2.806 22.177 -25.318 1.00 -0.39 O HETATM 2659 N ASN A 5 4.661 23.375 -25.873 1.00 -0.25 N HETATM 2660 CA ASN A 5 4.103 23.976 -27.105 1.00 0.13 C HETATM 2661 C ASN A 5 3.295 23.014 -27.975 1.00 0.20 C HETATM 2662 O ASN A 5 2.153 23.316 -28.328 1.00 -0.39 O HETATM 2663 N ASN A 5 3.895 21.872 -28.300 1.00 -0.27 N HETATM 2664 CA ASN A 5 3.216 20.795 -29.015 1.00 0.12 C HETATM 2665 C ASN A 5 2.920 19.653 -28.065 1.00 0.20 C HETATM 2666 O ASN A 5 3.758 18.765 -27.880 1.00 -0.39 O HETATM 2667 N ASN A 5 1.736 19.691 -27.451 1.00 -0.26 N HETATM 2668 CA ASN A 5 1.286 18.639 -26.535 1.00 0.13 C HETATM 2669 C ASN A 5 -0.192 18.335 -26.752 1.00 0.20 C HETATM 2670 O ASN A 5 -1.028 19.239 -26.725 1.00 -0.39 O HETATM 2671 N ASN A 5 -0.499 17.054 -26.949 1.00 -0.26 N HETATM 2672 CA ASN A 5 -1.863 16.608 -27.211 1.00 0.14 C HETATM 2673 C ASN A 5 -2.641 16.477 -25.898 1.00 0.21 C HETATM 2674 O ASN A 5 -2.460 15.512 -25.151 1.00 -0.39 O HETATM 2675 N ASN A 5 -3.496 17.467 -25.629 1.00 -0.26 N HETATM 2676 CA ASN A 5 -4.413 17.450 -24.482 1.00 0.13 C HETATM 2677 C ASN A 5 -5.824 16.996 -24.897 1.00 0.20 C HETATM 2678 O ASN A 5 -6.774 17.112 -24.117 1.00 -0.39 O HETATM 2679 N ASN A 5 -5.947 16.469 -26.118 1.00 -0.26 N HETATM 2680 CA ASN A 5 -7.211 15.995 -26.667 1.00 0.13 C HETATM 2681 C ASN A 5 -7.379 14.517 -26.307 1.00 0.20 C HETATM 2682 O ASN A 5 -6.591 13.675 -26.745 1.00 -0.39 O HETATM 2683 N ASN A 5 -8.396 14.213 -25.501 1.00 -0.26 N HETATM 2684 CA ASN A 5 -8.708 12.836 -25.107 1.00 0.13 C HETATM 2685 C ASN A 5 -9.910 12.382 -25.955 1.00 0.21 C HETATM 2686 O ASN A 5 -10.949 13.048 -25.935 1.00 -0.39 O HETATM 2687 N ASN A 5 -9.781 11.263 -26.705 1.00 -0.25 N HETATM 2688 CA ASN A 5 -10.865 10.829 -27.600 1.00 0.13 C HETATM 2689 C ASN A 5 -11.934 9.938 -26.942 1.00 0.20 C HETATM 2690 O ASN A 5 -11.792 9.545 -25.780 1.00 -0.39 O HETATM 2691 N ASN A 5 -12.987 9.639 -27.709 1.00 -0.27 N HETATM 2692 CA ASN A 5 -14.082 8.736 -27.307 1.00 0.09 C HETATM 2693 C ASN A 5 -14.787 9.179 -26.028 1.00 0.06 C HETATM 2694 O ASN A 5 -15.841 9.810 -26.078 1.00 -0.57 O HETATM 2695 OXT ASN A 5 -14.313 8.913 -24.925 1.00 -0.57 O HETATM 2696 CB ASN A 5 -13.581 7.288 -27.175 1.00 -0.02 C HETATM 2697 CG ASN A 5 -14.645 6.176 -27.070 1.00 -0.04 C HETATM 2698 CD1 ASN A 5 -14.288 4.978 -27.943 1.00 -0.06 C HETATM 2699 H126 ASN A 5 -15.066 4.207 -27.844 1.00 0.02 H HETATM 2700 H127 ASN A 5 -13.320 4.566 -27.622 1.00 0.02 H HETATM 2701 H128 ASN A 5 -14.220 5.297 -28.994 1.00 0.02 H HETATM 2702 CD2 ASN A 5 -14.878 5.728 -25.631 1.00 -0.06 C HETATM 2703 H129 ASN A 5 -15.134 6.601 -25.012 1.00 0.02 H HETATM 2704 H130 ASN A 5 -13.963 5.258 -25.241 1.00 0.02 H HETATM 2705 H131 ASN A 5 -15.704 5.003 -25.602 1.00 0.02 H HETATM 2706 H125 ASN A 5 -15.591 6.593 -27.445 1.00 0.03 H HETATM 2707 H123 ASN A 5 -12.958 7.235 -26.270 1.00 0.03 H HETATM 2708 H124 ASN A 5 -12.963 7.071 -28.058 1.00 0.03 H HETATM 2709 H122 ASN A 5 -14.830 8.757 -28.113 1.00 0.07 H HETATM 2710 H121 ASN A 5 -13.036 10.056 -28.617 1.00 0.19 H HETATM 2711 CB ASN A 5 -10.113 10.050 -28.681 1.00 -0.01 C HETATM 2712 CG ASN A 5 -8.946 9.463 -27.966 1.00 -0.03 C HETATM 2713 CD ASN A 5 -8.624 10.351 -26.792 1.00 0.04 C HETATM 2714 H119 ASN A 5 -8.523 9.759 -25.870 1.00 0.05 H HETATM 2715 H120 ASN A 5 -7.696 10.913 -26.970 1.00 0.05 H HETATM 2716 H117 ASN A 5 -8.081 9.411 -28.643 1.00 0.03 H HETATM 2717 H118 ASN A 5 -9.195 8.452 -27.612 1.00 0.03 H HETATM 2718 H115 ASN A 5 -9.779 10.722 -29.485 1.00 0.03 H HETATM 2719 H116 ASN A 5 -10.749 9.259 -29.105 1.00 0.03 H HETATM 2720 H114 ASN A 5 -11.366 11.708 -28.031 1.00 0.08 H HETATM 2721 CB ASN A 5 -9.065 12.703 -23.600 1.00 -0.00 C HETATM 2722 CG1 ASN A 5 -8.243 13.651 -22.702 1.00 -0.05 C HETATM 2723 CD1 ASN A 5 -6.740 13.461 -22.737 1.00 -0.06 C HETATM 2724 H111 ASN A 5 -6.263 14.187 -22.062 1.00 0.02 H HETATM 2725 H112 ASN A 5 -6.374 13.618 -23.762 1.00 0.02 H HETATM 2726 H113 ASN A 5 -6.492 12.440 -22.411 1.00 0.02 H HETATM 2727 H106 ASN A 5 -8.577 13.505 -21.664 1.00 0.03 H HETATM 2728 H107 ASN A 5 -8.459 14.683 -23.015 1.00 0.03 H HETATM 2729 CG2 ASN A 5 -8.895 11.261 -23.141 1.00 -0.06 C HETATM 2730 H108 ASN A 5 -9.486 10.598 -23.790 1.00 0.02 H HETATM 2731 H109 ASN A 5 -9.243 11.163 -22.102 1.00 0.02 H HETATM 2732 H110 ASN A 5 -7.833 10.980 -23.200 1.00 0.02 H HETATM 2733 H105 ASN A 5 -10.125 12.974 -23.485 1.00 0.03 H HETATM 2734 H104 ASN A 5 -7.839 12.196 -25.320 1.00 0.08 H HETATM 2735 H103 ASN A 5 -8.969 14.954 -25.151 1.00 0.19 H HETATM 2736 CB ASN A 5 -7.218 16.186 -28.193 1.00 -0.00 C HETATM 2737 CG ASN A 5 -8.602 16.178 -28.831 1.00 0.00 C HETATM 2738 CD ASN A 5 -8.565 15.946 -30.336 1.00 0.04 C HETATM 2739 OE1 ASN A 5 -7.724 16.566 -31.023 1.00 -0.57 O HETATM 2740 OE2 ASN A 5 -9.386 15.145 -30.835 1.00 -0.57 O HETATM 2741 H101 ASN A 5 -9.082 17.149 -28.638 1.00 0.04 H HETATM 2742 H102 ASN A 5 -9.196 15.377 -28.368 1.00 0.04 H HETATM 2743 H99 ASN A 5 -6.629 15.373 -28.642 1.00 0.03 H HETATM 2744 H100 ASN A 5 -6.742 17.152 -28.419 1.00 0.03 H HETATM 2745 H98 ASN A 5 -8.039 16.571 -26.229 1.00 0.08 H HETATM 2746 H97 ASN A 5 -5.127 16.396 -26.686 1.00 0.19 H HETATM 2747 CB ASN A 5 -4.469 18.840 -23.829 1.00 -0.01 C HETATM 2748 CG ASN A 5 -3.160 19.425 -23.280 1.00 -0.04 C HETATM 2749 CD1 ASN A 5 -3.362 20.875 -22.866 1.00 -0.06 C HETATM 2750 H91 ASN A 5 -2.417 21.280 -22.475 1.00 0.02 H HETATM 2751 H92 ASN A 5 -4.135 20.929 -22.085 1.00 0.02 H HETATM 2752 H93 ASN A 5 -3.680 21.465 -23.738 1.00 0.02 H HETATM 2753 CD2 ASN A 5 -2.621 18.617 -22.107 1.00 -0.06 C HETATM 2754 H94 ASN A 5 -2.479 17.571 -22.417 1.00 0.02 H HETATM 2755 H95 ASN A 5 -3.337 18.658 -21.273 1.00 0.02 H HETATM 2756 H96 ASN A 5 -1.657 19.038 -21.784 1.00 0.02 H HETATM 2757 H90 ASN A 5 -2.411 19.396 -24.085 1.00 0.03 H HETATM 2758 H88 ASN A 5 -5.179 18.781 -22.991 1.00 0.03 H HETATM 2759 H89 ASN A 5 -4.851 19.542 -24.584 1.00 0.03 H HETATM 2760 H87 ASN A 5 -4.026 16.734 -23.742 1.00 0.08 H HETATM 2761 H86 ASN A 5 -3.513 18.259 -26.239 1.00 0.19 H HETATM 2762 CB ASN A 5 -1.846 15.274 -27.976 1.00 0.04 C HETATM 2763 CG ASN A 5 -3.208 14.899 -28.546 1.00 0.04 C HETATM 2764 OD1 ASN A 5 -3.881 15.770 -29.138 1.00 -0.57 O HETATM 2765 OD2 ASN A 5 -3.601 13.720 -28.413 1.00 -0.57 O HETATM 2766 H84 ASN A 5 -1.523 14.479 -27.288 1.00 0.05 H HETATM 2767 H85 ASN A 5 -1.129 15.355 -28.806 1.00 0.05 H HETATM 2768 H83 ASN A 5 -2.363 17.361 -27.837 1.00 0.08 H HETATM 2769 H82 ASN A 5 0.233 16.373 -26.916 1.00 0.19 H HETATM 2770 CB ASN A 5 1.522 19.049 -25.081 1.00 -0.00 C HETATM 2771 CG ASN A 5 1.442 17.885 -24.099 1.00 0.00 C HETATM 2772 CD ASN A 5 1.464 18.323 -22.648 1.00 0.04 C HETATM 2773 OE1 ASN A 5 1.065 17.514 -21.783 1.00 -0.57 O HETATM 2774 OE2 ASN A 5 1.875 19.469 -22.361 1.00 -0.57 O HETATM 2775 H80 ASN A 5 2.300 17.219 -24.276 1.00 0.04 H HETATM 2776 H81 ASN A 5 0.507 17.336 -24.284 1.00 0.04 H HETATM 2777 H78 ASN A 5 0.761 19.793 -24.801 1.00 0.03 H HETATM 2778 H79 ASN A 5 2.522 19.500 -25.005 1.00 0.03 H HETATM 2779 H77 ASN A 5 1.866 17.727 -26.741 1.00 0.08 H HETATM 2780 H76 ASN A 5 1.131 20.469 -27.623 1.00 0.19 H HETATM 2781 H74 ASN A 5 3.861 20.434 -29.829 1.00 0.08 H HETATM 2782 H75 ASN A 5 2.273 21.174 -29.435 1.00 0.08 H HETATM 2783 H73 ASN A 5 4.853 21.746 -28.043 1.00 0.19 H HETATM 2784 CB ASN A 5 5.348 24.478 -27.862 1.00 -0.01 C HETATM 2785 CG ASN A 5 6.522 23.882 -27.163 1.00 -0.03 C HETATM 2786 CD ASN A 5 6.097 23.684 -25.744 1.00 0.04 C HETATM 2787 H71 ASN A 5 6.642 22.849 -25.280 1.00 0.05 H HETATM 2788 H72 ASN A 5 6.254 24.598 -25.152 1.00 0.05 H HETATM 2789 H69 ASN A 5 7.384 24.564 -27.213 1.00 0.03 H HETATM 2790 H70 ASN A 5 6.790 22.918 -27.620 1.00 0.03 H HETATM 2791 H67 ASN A 5 5.399 25.576 -27.827 1.00 0.03 H HETATM 2792 H68 ASN A 5 5.318 24.145 -28.910 1.00 0.03 H HETATM 2793 H66 ASN A 5 3.453 24.822 -26.837 1.00 0.08 H HETATM 2794 CB ASN A 5 5.143 20.797 -23.724 1.00 -0.01 C HETATM 2795 CG ASN A 5 5.894 20.398 -22.457 1.00 -0.04 C HETATM 2796 CD ASN A 5 6.099 18.894 -22.358 1.00 -0.01 C HETATM 2797 CE ASN A 5 6.945 18.535 -21.145 1.00 -0.04 C HETATM 2798 NZ ASN A 5 7.269 17.083 -21.092 1.00 0.22 N HETATM 2799 H63 ASN A 5 7.828 16.893 -20.275 1.00 0.20 H HETATM 2800 H64 ASN A 5 7.783 16.823 -21.919 1.00 0.20 H HETATM 2801 H65 ASN A 5 6.415 16.550 -21.046 1.00 0.20 H HETATM 2802 H61 ASN A 5 6.391 18.807 -20.234 1.00 0.08 H HETATM 2803 H62 ASN A 5 7.884 19.106 -21.187 1.00 0.08 H HETATM 2804 H59 ASN A 5 6.606 18.540 -23.267 1.00 0.03 H HETATM 2805 H60 ASN A 5 5.119 18.403 -22.270 1.00 0.03 H HETATM 2806 H57 ASN A 5 5.317 20.735 -21.583 1.00 0.03 H HETATM 2807 H58 ASN A 5 6.878 20.890 -22.459 1.00 0.03 H HETATM 2808 H55 ASN A 5 5.841 20.741 -24.572 1.00 0.03 H HETATM 2809 H56 ASN A 5 4.320 20.083 -23.878 1.00 0.03 H HETATM 2810 H54 ASN A 5 5.359 22.924 -23.445 1.00 0.08 H HETATM 2811 H53 ASN A 5 3.177 21.450 -22.241 1.00 0.19 H HETATM 2812 CB ASN A 5 0.570 23.608 -21.734 1.00 -0.01 C HETATM 2813 CG1 ASN A 5 0.206 22.501 -22.716 1.00 -0.06 C HETATM 2814 H47 ASN A 5 -0.790 22.699 -23.140 1.00 0.02 H HETATM 2815 H48 ASN A 5 0.195 21.534 -22.191 1.00 0.02 H HETATM 2816 H49 ASN A 5 0.950 22.470 -23.526 1.00 0.02 H HETATM 2817 CG2 ASN A 5 -0.493 23.672 -20.645 1.00 -0.06 C HETATM 2818 H50 ASN A 5 -0.239 24.469 -19.931 1.00 0.02 H HETATM 2819 H51 ASN A 5 -0.537 22.707 -20.118 1.00 0.02 H HETATM 2820 H52 ASN A 5 -1.472 23.886 -21.100 1.00 0.02 H HETATM 2821 H46 ASN A 5 0.590 24.568 -22.270 1.00 0.03 H HETATM 2822 H45 ASN A 5 1.976 22.332 -20.718 1.00 0.08 H HETATM 2823 H44 ASN A 5 2.198 25.259 -20.181 1.00 0.19 H HETATM 2824 CB ASN A 5 1.818 24.983 -16.741 1.00 0.02 C HETATM 2825 CG ASN A 5 2.240 25.472 -15.385 1.00 -0.04 C HETATM 2826 CD1 ASN A 5 2.779 24.592 -14.452 1.00 -0.06 C HETATM 2827 CE1 ASN A 5 3.171 25.037 -13.197 1.00 -0.07 C HETATM 2828 CZ ASN A 5 3.024 26.375 -12.862 1.00 -0.07 C HETATM 2829 CE2 ASN A 5 2.493 27.262 -13.786 1.00 -0.07 C HETATM 2830 CD2 ASN A 5 2.100 26.810 -15.036 1.00 -0.06 C HETATM 2831 H40 ASN A 5 1.678 27.508 -15.750 1.00 0.06 H HETATM 2832 H42 ASN A 5 2.385 28.310 -13.531 1.00 0.06 H HETATM 2833 H43 ASN A 5 3.323 26.726 -11.881 1.00 0.06 H HETATM 2834 H41 ASN A 5 3.591 24.340 -12.480 1.00 0.06 H HETATM 2835 H39 ASN A 5 2.894 23.545 -14.709 1.00 0.06 H HETATM 2836 H37 ASN A 5 1.391 23.975 -16.629 1.00 0.05 H HETATM 2837 H38 ASN A 5 1.049 25.666 -17.133 1.00 0.05 H HETATM 2838 H36 ASN A 5 3.874 24.590 -17.225 1.00 0.08 H HETATM 2839 H35 ASN A 5 2.467 26.851 -18.504 1.00 0.19 H HETATM 2840 CB ASN A 5 3.913 29.164 -18.245 1.00 -0.00 C HETATM 2841 CG1 ASN A 5 4.197 30.587 -18.751 1.00 -0.05 C HETATM 2842 CD1 ASN A 5 3.249 31.645 -18.224 1.00 -0.06 C HETATM 2843 H32 ASN A 5 3.528 32.626 -18.637 1.00 0.02 H HETATM 2844 H33 ASN A 5 3.311 31.679 -17.126 1.00 0.02 H HETATM 2845 H34 ASN A 5 2.220 31.399 -18.526 1.00 0.02 H HETATM 2846 H27 ASN A 5 4.128 30.581 -19.849 1.00 0.03 H HETATM 2847 H28 ASN A 5 5.219 30.861 -18.449 1.00 0.03 H HETATM 2848 CG2 ASN A 5 4.426 29.054 -16.811 1.00 -0.06 C HETATM 2849 H29 ASN A 5 4.232 28.041 -16.429 1.00 0.02 H HETATM 2850 H30 ASN A 5 3.908 29.790 -16.179 1.00 0.02 H HETATM 2851 H31 ASN A 5 5.508 29.252 -16.792 1.00 0.02 H HETATM 2852 H26 ASN A 5 2.827 28.992 -18.250 1.00 0.03 H HETATM 2853 H25 ASN A 5 5.652 28.359 -19.237 1.00 0.08 H HETATM 2854 H24 ASN A 5 3.148 27.655 -20.688 1.00 0.19 H HETATM 2855 CB ASN A 5 4.807 27.438 -23.730 1.00 0.08 C HETATM 2856 CG ASN A 5 4.085 26.962 -24.972 1.00 0.18 C HETATM 2857 OD1 ASN A 5 4.521 27.217 -26.095 1.00 -0.40 O HETATM 2858 ND2 ASN A 5 2.962 26.278 -24.777 1.00 -0.30 N HETATM 2859 H22 ASN A 5 2.441 25.938 -25.560 1.00 0.18 H HETATM 2860 H23 ASN A 5 2.638 26.104 -23.847 1.00 0.18 H HETATM 2861 H20 ASN A 5 5.001 26.571 -23.081 1.00 0.06 H HETATM 2862 H21 ASN A 5 5.763 27.893 -24.030 1.00 0.06 H HETATM 2863 H19 ASN A 5 2.974 28.094 -22.808 1.00 0.08 H HETATM 2864 H18 ASN A 5 4.773 30.305 -23.684 1.00 0.19 H HETATM 2865 CB ASN A 5 2.723 31.647 -26.382 1.00 0.04 C HETATM 2866 CG ASN A 5 2.537 33.063 -26.917 1.00 0.04 C HETATM 2867 OD1 ASN A 5 1.697 33.809 -26.369 1.00 -0.57 O HETATM 2868 OD2 ASN A 5 3.228 33.427 -27.893 1.00 -0.57 O HETATM 2869 H16 ASN A 5 1.832 31.054 -26.637 1.00 0.05 H HETATM 2870 H17 ASN A 5 3.608 31.203 -26.860 1.00 0.05 H HETATM 2871 H15 ASN A 5 2.080 32.157 -24.400 1.00 0.08 H HETATM 2872 H14 ASN A 5 4.936 32.264 -25.119 1.00 0.19 H HETATM 2873 CB ASN A 5 6.570 32.436 -22.523 1.00 0.08 C HETATM 2874 OG ASN A 5 7.882 32.909 -22.274 1.00 -0.39 O HETATM 2875 H13 ASN A 5 8.412 32.201 -21.928 1.00 0.21 H HETATM 2876 H11 ASN A 5 6.617 31.613 -23.252 1.00 0.06 H HETATM 2877 H12 ASN A 5 6.136 32.068 -21.582 1.00 0.06 H HETATM 2878 H10 ASN A 5 6.112 33.911 -24.027 1.00 0.08 H HETATM 2879 H9 ASN A 5 5.874 34.508 -21.192 1.00 0.19 H HETATM 2880 CB ASN A 5 4.749 38.312 -21.876 1.00 0.10 C HETATM 2881 CG ASN A 5 4.445 39.282 -20.744 1.00 0.18 C HETATM 2882 OD1 ASN A 5 3.291 39.428 -20.338 1.00 -0.40 O HETATM 2883 ND2 ASN A 5 5.476 39.951 -20.226 1.00 -0.30 N HETATM 2884 H7 ASN A 5 5.327 40.600 -19.480 1.00 0.18 H HETATM 2885 H8 ASN A 5 6.398 39.803 -20.584 1.00 0.18 H HETATM 2886 H5 ASN A 5 3.837 38.175 -22.476 1.00 0.06 H HETATM 2887 H6 ASN A 5 5.541 38.743 -22.505 1.00 0.06 H HETATM 2888 H4 ASN A 5 4.495 36.598 -20.611 1.00 0.11 H HETATM 2889 H1 ASN A 5 6.516 37.729 -19.967 1.00 0.20 H HETATM 2890 H2 ASN A 5 7.255 37.302 -21.375 1.00 0.20 H HETATM 2891 H3 ASN A 5 6.802 36.142 -20.298 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 507 505 506 2623 CONECT 713 714 719 720 721 CONECT 720 713 CONECT 721 713 CONECT 1060 1061 1070 1071 1072 CONECT 1070 1060 CONECT 1071 1060 CONECT 1072 1060 CONECT 2300 2301 2305 2306 2307 CONECT 2305 2300 CONECT 2306 2300 CONECT 2307 2300 CONECT 2313 2312 2623 CONECT 2339 2338 2623 CONECT 2397 2395 2396 2623 CONECT 2623 507 2313 2339 2397 CONECT 2627 2628 2889 2890 2891 CONECT 2628 2627 2629 2880 2888 CONECT 2629 2628 2630 2631 CONECT 2630 2629 CONECT 2631 2629 2632 2879 CONECT 2632 2631 2633 2873 2878 CONECT 2633 2632 2634 2635 CONECT 2634 2633 CONECT 2635 2633 2636 2872 CONECT 2636 2635 2637 2865 2871 CONECT 2637 2636 2638 2639 CONECT 2638 2637 CONECT 2639 2637 2640 2864 CONECT 2640 2639 2641 2855 2863 CONECT 2641 2640 2642 2643 CONECT 2642 2641 CONECT 2643 2641 2644 2854 CONECT 2644 2643 2645 2840 2853 CONECT 2645 2644 2646 2647 CONECT 2646 2645 CONECT 2647 2645 2648 2839 CONECT 2648 2647 2649 2824 2838 CONECT 2649 2648 2650 2651 CONECT 2650 2649 CONECT 2651 2649 2652 2823 CONECT 2652 2651 2653 2812 2822 CONECT 2653 2652 2654 2655 CONECT 2654 2653 CONECT 2655 2653 2656 2811 CONECT 2656 2655 2657 2794 2810 CONECT 2657 2656 2658 2659 CONECT 2658 2657 CONECT 2659 2657 2660 2786 CONECT 2660 2659 2661 2784 2793 CONECT 2661 2660 2662 2663 CONECT 2662 2661 CONECT 2663 2661 2664 2783 CONECT 2664 2663 2665 2781 2782 CONECT 2665 2664 2666 2667 CONECT 2666 2665 CONECT 2667 2665 2668 2780 CONECT 2668 2667 2669 2770 2779 CONECT 2669 2668 2670 2671 CONECT 2670 2669 CONECT 2671 2669 2672 2769 CONECT 2672 2671 2673 2762 2768 CONECT 2673 2672 2674 2675 CONECT 2674 2673 CONECT 2675 2673 2676 2761 CONECT 2676 2675 2677 2747 2760 CONECT 2677 2676 2678 2679 CONECT 2678 2677 CONECT 2679 2677 2680 2746 CONECT 2680 2679 2681 2736 2745 CONECT 2681 2680 2682 2683 CONECT 2682 2681 CONECT 2683 2681 2684 2735 CONECT 2684 2683 2685 2721 2734 CONECT 2685 2684 2686 2687 CONECT 2686 2685 CONECT 2687 2685 2688 2713 CONECT 2688 2687 2689 2711 2720 CONECT 2689 2688 2690 2691 CONECT 2690 2689 CONECT 2691 2689 2692 2710 CONECT 2692 2691 2693 2696 2709 CONECT 2693 2692 2694 2695 CONECT 2694 2693 CONECT 2695 2693 CONECT 2696 2692 2697 2707 2708 CONECT 2697 2696 2698 2702 2706 CONECT 2698 2697 2699 2700 2701 CONECT 2699 2698 CONECT 2700 2698 CONECT 2701 2698 CONECT 2702 2697 2703 2704 2705 CONECT 2703 2702 CONECT 2704 2702 CONECT 2705 2702 CONECT 2706 2697 CONECT 2707 2696 CONECT 2708 2696 CONECT 2709 2692 CONECT 2710 2691 CONECT 2711 2688 2712 2718 2719 CONECT 2712 2711 2713 2716 2717 CONECT 2713 2687 2712 2714 2715 CONECT 2714 2713 CONECT 2715 2713 CONECT 2716 2712 CONECT 2717 2712 CONECT 2718 2711 CONECT 2719 2711 CONECT 2720 2688 CONECT 2721 2684 2722 2729 2733 CONECT 2722 2721 2723 2727 2728 CONECT 2723 2722 2724 2725 2726 CONECT 2724 2723 CONECT 2725 2723 CONECT 2726 2723 CONECT 2727 2722 CONECT 2728 2722 CONECT 2729 2721 2730 2731 2732 CONECT 2730 2729 CONECT 2731 2729 CONECT 2732 2729 CONECT 2733 2721 CONECT 2734 2684 CONECT 2735 2683 CONECT 2736 2680 2737 2743 2744 CONECT 2737 2736 2738 2741 2742 CONECT 2738 2737 2739 2740 CONECT 2739 2738 CONECT 2740 2738 CONECT 2741 2737 CONECT 2742 2737 CONECT 2743 2736 CONECT 2744 2736 CONECT 2745 2680 CONECT 2746 2679 CONECT 2747 2676 2748 2758 2759 CONECT 2748 2747 2749 2753 2757 CONECT 2749 2748 2750 2751 2752 CONECT 2750 2749 CONECT 2751 2749 CONECT 2752 2749 CONECT 2753 2748 2754 2755 2756 CONECT 2754 2753 CONECT 2755 2753 CONECT 2756 2753 CONECT 2757 2748 CONECT 2758 2747 CONECT 2759 2747 CONECT 2760 2676 CONECT 2761 2675 CONECT 2762 2672 2763 2766 2767 CONECT 2763 2762 2764 2765 CONECT 2764 2763 CONECT 2765 2763 CONECT 2766 2762 CONECT 2767 2762 CONECT 2768 2672 CONECT 2769 2671 CONECT 2770 2668 2771 2777 2778 CONECT 2771 2770 2772 2775 2776 CONECT 2772 2771 2773 2774 CONECT 2773 2772 CONECT 2774 2772 CONECT 2775 2771 CONECT 2776 2771 CONECT 2777 2770 CONECT 2778 2770 CONECT 2779 2668 CONECT 2780 2667 CONECT 2781 2664 CONECT 2782 2664 CONECT 2783 2663 CONECT 2784 2660 2785 2791 2792 CONECT 2785 2784 2786 2789 2790 CONECT 2786 2659 2785 2787 2788 CONECT 2787 2786 CONECT 2788 2786 CONECT 2789 2785 CONECT 2790 2785 CONECT 2791 2784 CONECT 2792 2784 CONECT 2793 2660 CONECT 2794 2656 2795 2808 2809 CONECT 2795 2794 2796 2806 2807 CONECT 2796 2795 2797 2804 2805 CONECT 2797 2796 2798 2802 2803 CONECT 2798 2797 2799 2800 2801 CONECT 2799 2798 CONECT 2800 2798 CONECT 2801 2798 CONECT 2802 2797 CONECT 2803 2797 CONECT 2804 2796 CONECT 2805 2796 CONECT 2806 2795 CONECT 2807 2795 CONECT 2808 2794 CONECT 2809 2794 CONECT 2810 2656 CONECT 2811 2655 CONECT 2812 2652 2813 2817 2821 CONECT 2813 2812 2814 2815 2816 CONECT 2814 2813 CONECT 2815 2813 CONECT 2816 2813 CONECT 2817 2812 2818 2819 2820 CONECT 2818 2817 CONECT 2819 2817 CONECT 2820 2817 CONECT 2821 2812 CONECT 2822 2652 CONECT 2823 2651 CONECT 2824 2648 2825 2836 2837 CONECT 2825 2824 2826 2830 CONECT 2826 2825 2827 2835 CONECT 2827 2826 2828 2834 CONECT 2828 2827 2829 2833 CONECT 2829 2828 2830 2832 CONECT 2830 2825 2829 2831 CONECT 2831 2830 CONECT 2832 2829 CONECT 2833 2828 CONECT 2834 2827 CONECT 2835 2826 CONECT 2836 2824 CONECT 2837 2824 CONECT 2838 2648 CONECT 2839 2647 CONECT 2840 2644 2841 2848 2852 CONECT 2841 2840 2842 2846 2847 CONECT 2842 2841 2843 2844 2845 CONECT 2843 2842 CONECT 2844 2842 CONECT 2845 2842 CONECT 2846 2841 CONECT 2847 2841 CONECT 2848 2840 2849 2850 2851 CONECT 2849 2848 CONECT 2850 2848 CONECT 2851 2848 CONECT 2852 2840 CONECT 2853 2644 CONECT 2854 2643 CONECT 2855 2640 2856 2861 2862 CONECT 2856 2855 2857 2858 CONECT 2857 2856 CONECT 2858 2856 2859 2860 CONECT 2859 2858 CONECT 2860 2858 CONECT 2861 2855 CONECT 2862 2855 CONECT 2863 2640 CONECT 2864 2639 CONECT 2865 2636 2866 2869 2870 CONECT 2866 2865 2867 2868 CONECT 2867 2866 CONECT 2868 2866 CONECT 2869 2865 CONECT 2870 2865 CONECT 2871 2636 CONECT 2872 2635 CONECT 2873 2632 2874 2876 2877 CONECT 2874 2873 2875 CONECT 2875 2874 CONECT 2876 2873 CONECT 2877 2873 CONECT 2878 2632 CONECT 2879 2631 CONECT 2880 2628 2881 2886 2887 CONECT 2881 2880 2882 2883 CONECT 2882 2881 CONECT 2883 2881 2884 2885 CONECT 2884 2883 CONECT 2885 2883 CONECT 2886 2880 CONECT 2887 2880 CONECT 2888 2628 CONECT 2889 2627 CONECT 2890 2627 CONECT 2891 2627 MASTER 0 0 0 0 0 0 0 0 2887 4 285 22 END
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Entry Information
PDB ID
5xxf
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
complex of telomeres protein poz1 and tpz1
Ligand Name
17-mer
EC.Number
E.C.-.-.-.-
Resolution
3.1(Å)
Affinity (Kd/Ki/IC50)
Kd~1.8uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Cell Res. Vol. 27: pp. 1503-1520
Ligand Properties
Formula
C
8
5
H
1
3
6
N
2
0
O
2
9
Molecular Weight
1902.110
Exact Mass
1900.980
No. of atoms
270
No. of bonds
272
Polar Surface Area
796.21
LOGP Value
-1.72 (
Computed with XLOGP3
)
-1.25 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 19
No. of Hydrogen Bond Acceptors: 29
No. of Rotatable Bonds: 73
No. of Nitrogen and Oxygen Atoms: 49
No. of Rings: 3
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CC(C)C)[C@H](CC)C)CCC(=O)O)CC(C)C)CC(=O)O)CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)[NH3+])CO)CC(=O)O)CC(=O)N)Cc1ccccc1
InChI String
InChI=1S/C85H134N20O29/c1-11-44(9)68(102-77(125)53(36-61(89)108)95-75(123)55(38-66(116)117)97-78(126)57(40-106)100-70(118)47(87)35-60(88)107)82(130)98-52(34-46-20-14-13-15-21-46)76(124)101-67(43(7)8)81(129)93-50(22-16-17-29-86)83(131)104-30-18-23-58(104)79(127)90-39-62(109)91-48(25-27-63(110)111)71(119)96-54(37-65(114)115)74(122)94-51(32-41(3)4)73(121)92-49(26-28-64(112)113)72(120)103-69(45(10)12-2)84(132)105-31-19-24-59(105)80(128)99-56(85(133)134)33-42(5)6/h13-15,20-21,41-45,47-59,67-69,106H,11-12,16-19,22-40,86-87H2,1-10H3,(H2,88,107)(H2,89,108)(H,90,127)(H,91,109)(H,92,121)(H,93,129)(H,94,122)(H,95,123)(H,96,119)(H,97,126)(H,98,130)(H,99,128)(H,100,118)(H,101,124)(H,102,125)(H,103,120)(H,110,111)(H,112,113)(H,114,115)(H,116,117)(H,133,134)/p+2/t44-,45-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,67-,68-,69-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
O13852
O14246
Entrez Gene ID
NCBI Entrez Gene ID:
2542244
ASD
Information of known allosteric effects of PDB entries
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