Browse entries in the PDBbind-CN Database
HEADER 3KMC_COMPLEX COMPND 3KMC_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 254 PRO MET LYS ASN THR CYS LYS LEU LEU VAL VAL ALA ASP SEQRES 2 B 254 HIS ARG PHE TYR ARG TYR MET GLY ARG GLY GLU GLU SER SEQRES 3 B 254 THR THR THR ASN TYR LEU ILE GLU LEU ILE ASP ARG VAL SEQRES 4 B 254 ASP ASP ILE TYR ARG ASN THR ALA TRP ASP ASN ALA GLY SEQRES 5 B 254 PHE LYS GLY TYR GLY ILE GLN ILE GLU GLN ILE ARG ILE SEQRES 6 B 254 LEU LYS SER PRO GLN GLU VAL LYS PRO GLY GLU LYS HIS SEQRES 7 B 254 TYR ASN MET ALA LYS SER TYR PRO ASN GLU GLU LYS ASP SEQRES 8 B 254 ALA TRP ASP VAL LYS MET LEU LEU GLU GLN PHE SER PHE SEQRES 9 B 254 ASP ILE ALA GLU GLU ALA SER LYS VAL CYS LEU ALA HIS SEQRES 10 B 254 LEU PHE THR TYR GLN ASP PHE ASP MET GLY THR LEU GLY SEQRES 11 B 254 LEU ALA TYR GLY GLY SER PRO ARG ALA ASN SER HIS GLY SEQRES 12 B 254 GLY VAL CYS PRO LYS ALA TYR TYR SER PRO VAL GLY LYS SEQRES 13 B 254 LYS ASN ILE TYR LEU ASN SER GLY LEU THR SER THR LYS SEQRES 14 B 254 ASN TYR GLY LYS THR ILE LEU THR LYS GLU ALA ASP LEU SEQRES 15 B 254 VAL THR THR HIS GLU LEU GLY HIS ASN PHE GLY ALA GLU SEQRES 16 B 254 HIS ASP PRO ASP GLY LEU ALA GLU CYS ALA PRO ASN GLU SEQRES 17 B 254 ASP GLN GLY GLY LYS TYR VAL MET TYR PRO ILE ALA VAL SEQRES 18 B 254 SER GLY ASP HIS GLU ASN ASN LYS MET PHE SER GLN CYS SEQRES 19 B 254 SER LYS GLN SER ILE TYR LYS THR ILE GLU SER LYS ALA SEQRES 20 B 254 GLN GLU CYS PHE GLN GLU ARG HET ZN A 1 1 HET MOL A 382 44 SSBOND 1 CYS B 225 CYS B 333 SSBOND 2 CYS B 423 CYS B 453 SSBOND 3 CYS B 365 CYS B 469 ATOM 1 N PRO B 220 61.640 53.537 59.086 1.00 68.07 N ATOM 2 CA PRO B 220 61.492 53.310 60.532 1.00 67.27 C ATOM 3 C PRO B 220 60.105 53.692 61.046 1.00 68.46 C ATOM 4 O PRO B 220 59.469 52.886 61.721 1.00 68.45 O ATOM 5 CB PRO B 220 62.609 54.156 61.146 1.00 69.23 C ATOM 6 CG PRO B 220 62.970 55.176 60.089 1.00 74.14 C ATOM 7 CD PRO B 220 62.299 54.822 58.789 1.00 69.73 C ATOM 8 HN2 PRO B 220 60.697 53.535 58.648 1.00 0.00 H ATOM 9 HN1 PRO B 220 62.210 52.767 58.682 1.00 0.00 H ATOM 10 N MET B 221 59.631 54.904 60.714 1.00 62.33 N ATOM 11 CA MET B 221 58.309 55.390 61.096 1.00 60.62 C ATOM 12 C MET B 221 57.305 55.037 59.988 1.00 59.91 C ATOM 13 O MET B 221 56.220 54.537 60.287 1.00 61.30 O ATOM 14 CB MET B 221 58.346 56.908 61.348 1.00 63.07 C ATOM 15 H MET B 221 60.241 55.532 60.153 1.00 0.00 H ATOM 16 N LYS B 222 57.684 55.290 58.716 1.00 50.27 N ATOM 17 CA LYS B 222 56.891 55.019 57.517 1.00 47.63 C ATOM 18 C LYS B 222 57.074 53.526 57.157 1.00 45.24 C ATOM 19 O LYS B 222 57.914 53.162 56.316 1.00 44.11 O ATOM 20 CB LYS B 222 57.342 55.952 56.381 1.00 50.60 C ATOM 21 H LYS B 222 58.623 55.715 58.577 1.00 0.00 H ATOM 22 N ASN B 223 56.313 52.658 57.854 1.00 36.98 N ATOM 23 CA ASN B 223 56.442 51.199 57.721 1.00 33.86 C ATOM 24 C ASN B 223 55.189 50.466 57.208 1.00 33.04 C ATOM 25 O ASN B 223 55.165 49.231 57.154 1.00 30.40 O ATOM 26 CB ASN B 223 56.900 50.610 59.069 1.00 29.59 C ATOM 27 CG ASN B 223 55.910 50.734 60.208 1.00 41.78 C ATOM 28 OD1 ASN B 223 54.792 51.245 60.066 1.00 39.08 O ATOM 29 ND2 ASN B 223 56.306 50.237 61.377 1.00 36.71 N ATOM 30 HD22 ASN B 223 57.251 49.813 61.468 1.00 0.00 H ATOM 31 HD21 ASN B 223 55.670 50.272 62.199 1.00 0.00 H ATOM 32 H ASN B 223 55.604 53.037 58.514 1.00 0.00 H ATOM 33 N THR B 224 54.165 51.222 56.846 1.00 28.42 N ATOM 34 CA THR B 224 52.891 50.675 56.433 1.00 27.98 C ATOM 35 C THR B 224 52.440 51.087 55.046 1.00 32.97 C ATOM 36 O THR B 224 52.262 52.278 54.759 1.00 34.99 O ATOM 37 CB THR B 224 51.826 50.998 57.489 1.00 31.42 C ATOM 38 OG1 THR B 224 52.290 50.593 58.777 1.00 29.92 O ATOM 39 CG2 THR B 224 50.496 50.351 57.193 1.00 33.02 C ATOM 40 HG1 THR B 224 53.126 51.078 58.993 1.00 0.00 H ATOM 41 H THR B 224 54.281 52.255 56.859 1.00 0.00 H ATOM 42 N CYS B 225 52.116 50.087 54.227 1.00 27.60 N ATOM 43 CA CYS B 225 51.521 50.310 52.925 1.00 25.75 C ATOM 44 C CYS B 225 50.009 50.330 53.129 1.00 28.96 C ATOM 45 O CYS B 225 49.416 49.298 53.452 1.00 26.69 O ATOM 46 CB CYS B 225 51.945 49.231 51.928 1.00 25.01 C ATOM 47 SG CYS B 225 51.175 49.386 50.300 1.00 28.30 S ATOM 48 H CYS B 225 52.297 49.110 54.534 1.00 0.00 H ATOM 49 N LYS B 226 49.377 51.508 52.951 1.00 27.08 N ATOM 50 CA LYS B 226 47.926 51.613 53.115 1.00 26.53 C ATOM 51 C LYS B 226 47.231 51.056 51.916 1.00 27.63 C ATOM 52 O LYS B 226 47.662 51.279 50.775 1.00 25.45 O ATOM 53 CB LYS B 226 47.448 53.056 53.429 1.00 29.49 C ATOM 54 CG LYS B 226 48.101 53.721 54.641 1.00 40.20 C ATOM 55 CD LYS B 226 47.708 53.106 56.008 1.00 45.05 C ATOM 56 CE LYS B 226 46.292 53.420 56.450 1.00 64.02 C ATOM 57 NZ LYS B 226 46.112 54.834 56.898 1.00 70.18 N ATOM 58 HZ1 LYS B 226 46.741 55.024 57.704 1.00 0.00 H ATOM 59 HZ2 LYS B 226 46.346 55.477 56.115 1.00 0.00 H ATOM 60 HZ3 LYS B 226 45.124 54.982 57.186 1.00 0.00 H ATOM 61 H LYS B 226 49.927 52.352 52.694 1.00 0.00 H ATOM 62 N LEU B 227 46.140 50.321 52.160 1.00 23.54 N ATOM 63 CA LEU B 227 45.397 49.661 51.110 1.00 23.78 C ATOM 64 C LEU B 227 44.010 50.145 50.890 1.00 30.07 C ATOM 65 O LEU B 227 43.238 50.305 51.837 1.00 30.27 O ATOM 66 CB LEU B 227 45.257 48.143 51.385 1.00 23.92 C ATOM 67 CG LEU B 227 46.442 47.320 51.849 1.00 28.57 C ATOM 68 CD1 LEU B 227 45.992 45.879 52.101 1.00 28.13 C ATOM 69 CD2 LEU B 227 47.552 47.323 50.826 1.00 27.30 C ATOM 70 H LEU B 227 45.814 50.221 53.142 1.00 0.00 H ATOM 71 N LEU B 228 43.642 50.245 49.621 1.00 28.47 N ATOM 72 CA LEU B 228 42.267 50.415 49.232 1.00 28.62 C ATOM 73 C LEU B 228 41.838 48.983 48.950 1.00 32.54 C ATOM 74 O LEU B 228 42.394 48.328 48.061 1.00 31.80 O ATOM 75 CB LEU B 228 42.085 51.282 47.971 1.00 29.10 C ATOM 76 CG LEU B 228 40.693 51.223 47.360 1.00 33.74 C ATOM 77 CD1 LEU B 228 39.625 51.874 48.277 1.00 33.34 C ATOM 78 CD2 LEU B 228 40.673 51.840 45.996 1.00 36.79 C ATOM 79 H LEU B 228 44.371 50.199 48.881 1.00 0.00 H ATOM 80 N VAL B 229 40.876 48.478 49.718 1.00 28.40 N ATOM 81 CA VAL B 229 40.384 47.133 49.503 1.00 27.50 C ATOM 82 C VAL B 229 39.024 47.204 48.813 1.00 33.16 C ATOM 83 O VAL B 229 38.129 47.894 49.295 1.00 32.73 O ATOM 84 CB VAL B 229 40.373 46.323 50.820 1.00 32.04 C ATOM 85 CG1 VAL B 229 39.598 45.027 50.660 1.00 31.49 C ATOM 86 CG2 VAL B 229 41.801 46.055 51.309 1.00 31.72 C ATOM 87 H VAL B 229 40.472 49.056 50.482 1.00 0.00 H ATOM 88 N VAL B 230 38.887 46.541 47.658 1.00 29.42 N ATOM 89 CA VAL B 230 37.634 46.550 46.908 1.00 29.10 C ATOM 90 C VAL B 230 37.088 45.149 46.777 1.00 33.95 C ATOM 91 O VAL B 230 37.781 44.260 46.293 1.00 33.96 O ATOM 92 CB VAL B 230 37.723 47.283 45.530 1.00 31.49 C ATOM 93 CG1 VAL B 230 36.371 47.308 44.811 1.00 31.13 C ATOM 94 CG2 VAL B 230 38.273 48.705 45.676 1.00 30.52 C ATOM 95 H VAL B 230 39.696 46.004 47.284 1.00 0.00 H ATOM 96 N ALA B 231 35.826 44.946 47.196 1.00 30.78 N ATOM 97 CA ALA B 231 35.160 43.661 47.062 1.00 31.51 C ATOM 98 C ALA B 231 34.089 43.827 45.984 1.00 37.72 C ATOM 99 O ALA B 231 33.258 44.730 46.094 1.00 37.65 O ATOM 100 CB ALA B 231 34.521 43.245 48.388 1.00 32.68 C ATOM 101 H ALA B 231 35.309 45.736 47.631 1.00 0.00 H ATOM 102 N ASP B 232 34.122 42.998 44.937 1.00 35.72 N ATOM 103 CA ASP B 232 33.132 43.126 43.859 1.00 36.61 C ATOM 104 C ASP B 232 31.786 42.462 44.195 1.00 42.59 C ATOM 105 O ASP B 232 31.644 41.896 45.281 1.00 41.80 O ATOM 106 CB ASP B 232 33.693 42.682 42.488 1.00 37.44 C ATOM 107 CG ASP B 232 33.796 41.192 42.208 1.00 40.28 C ATOM 108 OD1 ASP B 232 33.462 40.381 43.109 1.00 36.10 O ATOM 109 OD2 ASP B 232 34.216 40.835 41.097 1.00 42.83 O ATOM 110 H ASP B 232 34.852 42.259 44.885 1.00 0.00 H ATOM 111 N HIS B 233 30.815 42.499 43.249 1.00 39.88 N ATOM 112 CA HIS B 233 29.495 41.891 43.453 1.00 38.93 C ATOM 113 C HIS B 233 29.569 40.380 43.611 1.00 43.47 C ATOM 114 O HIS B 233 28.760 39.819 44.350 1.00 43.40 O ATOM 115 CB HIS B 233 28.470 42.351 42.381 1.00 39.18 C ATOM 116 CG HIS B 233 28.632 41.698 41.044 1.00 42.29 C ATOM 117 ND1 HIS B 233 29.430 42.256 40.062 1.00 44.03 N ATOM 118 CD2 HIS B 233 28.095 40.545 40.572 1.00 43.46 C ATOM 119 CE1 HIS B 233 29.363 41.424 39.032 1.00 43.15 C ATOM 120 NE2 HIS B 233 28.572 40.380 39.293 1.00 43.29 N ATOM 121 H HIS B 233 31.013 42.976 42.346 1.00 0.00 H ATOM 122 N ARG B 234 30.567 39.723 42.962 1.00 39.69 N ATOM 123 CA ARG B 234 30.765 38.272 43.049 1.00 39.07 C ATOM 124 C ARG B 234 31.254 37.866 44.433 1.00 42.52 C ATOM 125 O ARG B 234 30.807 36.842 44.957 1.00 41.21 O ATOM 126 CB ARG B 234 31.726 37.760 41.963 1.00 39.02 C ATOM 127 CG ARG B 234 31.161 37.797 40.555 1.00 41.30 C ATOM 128 CD ARG B 234 32.251 37.499 39.556 1.00 47.77 C ATOM 129 NE ARG B 234 31.885 37.831 38.177 1.00 52.57 N ATOM 130 CZ ARG B 234 32.014 39.037 37.630 1.00 69.20 C ATOM 131 NH1 ARG B 234 32.482 40.054 38.346 1.00 54.99 N ATOM 132 NH2 ARG B 234 31.661 39.238 36.368 1.00 61.18 N ATOM 133 HE ARG B 234 31.497 37.070 37.584 1.00 0.00 H ATOM 134 HH12 ARG B 234 32.580 40.994 37.912 1.00 0.00 H ATOM 135 HH11 ARG B 234 32.750 39.910 39.340 1.00 0.00 H ATOM 136 HH22 ARG B 234 31.763 40.182 35.943 1.00 0.00 H ATOM 137 HH21 ARG B 234 31.282 38.452 35.803 1.00 0.00 H ATOM 138 H ARG B 234 31.223 40.277 42.375 1.00 0.00 H ATOM 139 N PHE B 235 32.175 38.663 45.016 1.00 38.69 N ATOM 140 CA PHE B 235 32.707 38.432 46.357 1.00 37.97 C ATOM 141 C PHE B 235 31.611 38.665 47.412 1.00 44.48 C ATOM 142 O PHE B 235 31.376 37.789 48.232 1.00 43.90 O ATOM 143 CB PHE B 235 33.949 39.306 46.644 1.00 38.21 C ATOM 144 CG PHE B 235 34.739 38.795 47.830 1.00 37.28 C ATOM 145 CD1 PHE B 235 35.674 37.782 47.678 1.00 38.20 C ATOM 146 CD2 PHE B 235 34.536 39.321 49.100 1.00 37.76 C ATOM 147 CE1 PHE B 235 36.386 37.296 48.779 1.00 38.29 C ATOM 148 CE2 PHE B 235 35.239 38.822 50.200 1.00 39.72 C ATOM 149 CZ PHE B 235 36.158 37.815 50.028 1.00 37.25 C ATOM 150 H PHE B 235 32.524 39.485 44.482 1.00 0.00 H ATOM 151 N TYR B 236 30.923 39.816 47.355 1.00 43.96 N ATOM 152 CA TYR B 236 29.812 40.174 48.249 1.00 45.46 C ATOM 153 C TYR B 236 28.717 39.096 48.260 1.00 50.62 C ATOM 154 O TYR B 236 28.297 38.672 49.335 1.00 50.49 O ATOM 155 CB TYR B 236 29.231 41.540 47.840 1.00 47.41 C ATOM 156 CG TYR B 236 27.980 41.966 48.580 1.00 51.27 C ATOM 157 CD1 TYR B 236 28.059 42.569 49.831 1.00 54.01 C ATOM 158 CD2 TYR B 236 26.725 41.862 47.985 1.00 52.44 C ATOM 159 CE1 TYR B 236 26.918 43.035 50.485 1.00 56.46 C ATOM 160 CE2 TYR B 236 25.575 42.314 48.634 1.00 53.77 C ATOM 161 CZ TYR B 236 25.677 42.903 49.884 1.00 63.08 C ATOM 162 OH TYR B 236 24.550 43.347 50.539 1.00 66.85 O ATOM 163 HH TYR B 236 23.934 42.586 50.686 1.00 0.00 H ATOM 164 H TYR B 236 31.196 40.505 46.625 1.00 0.00 H ATOM 165 N ARG B 237 28.293 38.637 47.070 1.00 47.73 N ATOM 166 CA ARG B 237 27.242 37.642 46.915 1.00 47.65 C ATOM 167 C ARG B 237 27.634 36.231 47.296 1.00 52.07 C ATOM 168 O ARG B 237 26.865 35.563 47.986 1.00 51.59 O ATOM 169 CB ARG B 237 26.657 37.667 45.497 1.00 48.51 C ATOM 170 H ARG B 237 28.741 39.014 46.211 1.00 0.00 H ATOM 171 N TYR B 238 28.804 35.758 46.843 1.00 48.96 N ATOM 172 CA TYR B 238 29.215 34.374 47.078 1.00 49.62 C ATOM 173 C TYR B 238 30.136 34.093 48.272 1.00 51.72 C ATOM 174 O TYR B 238 30.245 32.937 48.677 1.00 51.66 O ATOM 175 CB TYR B 238 29.720 33.717 45.782 1.00 53.01 C ATOM 176 CG TYR B 238 28.796 33.902 44.590 1.00 57.90 C ATOM 177 CD1 TYR B 238 27.648 33.125 44.442 1.00 60.56 C ATOM 178 CD2 TYR B 238 29.075 34.848 43.608 1.00 59.25 C ATOM 179 CE1 TYR B 238 26.792 33.300 43.354 1.00 62.97 C ATOM 180 CE2 TYR B 238 28.224 35.036 42.519 1.00 60.83 C ATOM 181 CZ TYR B 238 27.086 34.256 42.393 1.00 71.22 C ATOM 182 OH TYR B 238 26.257 34.432 41.309 1.00 74.71 O ATOM 183 HH TYR B 238 25.496 33.801 41.371 1.00 0.00 H ATOM 184 H TYR B 238 29.435 36.391 46.311 1.00 0.00 H ATOM 185 N MET B 239 30.775 35.131 48.847 1.00 46.27 N ATOM 186 CA MET B 239 31.682 34.983 49.998 1.00 44.82 C ATOM 187 C MET B 239 31.146 35.669 51.240 1.00 49.44 C ATOM 188 O MET B 239 31.317 35.158 52.345 1.00 48.97 O ATOM 189 CB MET B 239 33.083 35.526 49.677 1.00 46.33 C ATOM 190 CG MET B 239 33.823 34.717 48.651 1.00 48.23 C ATOM 191 SD MET B 239 34.511 33.175 49.277 1.00 50.45 S ATOM 192 CE MET B 239 35.499 33.767 50.591 1.00 46.61 C ATOM 193 H MET B 239 30.620 36.083 48.459 1.00 0.00 H ATOM 194 N GLY B 240 30.539 36.832 51.045 1.00 46.69 N ATOM 195 CA GLY B 240 29.950 37.619 52.117 1.00 47.50 C ATOM 196 C GLY B 240 28.472 37.340 52.335 1.00 53.42 C ATOM 197 O GLY B 240 27.834 38.061 53.105 1.00 53.00 O ATOM 198 H GLY B 240 30.481 37.201 50.074 1.00 0.00 H ATOM 199 N ARG B 241 27.916 36.297 51.644 1.00 51.96 N ATOM 200 CA ARG B 241 26.517 35.834 51.713 1.00 53.05 C ATOM 201 C ARG B 241 25.458 36.952 51.527 1.00 58.77 C ATOM 202 O ARG B 241 24.344 36.863 52.052 1.00 59.03 O ATOM 203 CB ARG B 241 26.275 35.013 53.000 1.00 53.75 C ATOM 204 H ARG B 241 28.547 35.776 51.002 1.00 0.00 H ATOM 205 N GLY B 242 25.825 37.984 50.771 1.00 55.47 N ATOM 206 CA GLY B 242 24.973 39.135 50.508 1.00 55.24 C ATOM 207 C GLY B 242 24.880 40.092 51.679 1.00 59.76 C ATOM 208 O GLY B 242 23.988 40.946 51.708 1.00 59.55 O ATOM 209 H GLY B 242 26.773 37.967 50.344 1.00 0.00 H ATOM 210 N GLU B 243 25.813 39.967 52.645 1.00 56.65 N ATOM 211 CA GLU B 243 25.874 40.806 53.849 1.00 56.51 C ATOM 212 C GLU B 243 27.119 41.676 53.855 1.00 58.57 C ATOM 213 O GLU B 243 28.221 41.172 53.611 1.00 58.95 O ATOM 214 CB GLU B 243 25.835 39.949 55.124 1.00 58.05 C ATOM 215 CG GLU B 243 24.484 39.331 55.410 1.00 70.62 C ATOM 216 CD GLU B 243 24.524 38.314 56.529 1.00 97.16 C ATOM 217 OE1 GLU B 243 24.969 37.171 56.278 1.00 93.99 O ATOM 218 OE2 GLU B 243 24.119 38.663 57.661 1.00 95.03 O ATOM 219 H GLU B 243 26.536 39.229 52.530 1.00 0.00 H ATOM 220 N GLU B 244 26.937 42.979 54.148 1.00 52.56 N ATOM 221 CA GLU B 244 28.004 43.977 54.211 1.00 51.58 C ATOM 222 C GLU B 244 29.004 43.640 55.316 1.00 51.97 C ATOM 223 O GLU B 244 30.209 43.680 55.069 1.00 50.77 O ATOM 224 CB GLU B 244 27.424 45.386 54.409 1.00 53.22 C ATOM 225 CG GLU B 244 28.359 46.508 53.987 1.00 67.03 C ATOM 226 CD GLU B 244 27.924 47.907 54.385 1.00 94.53 C ATOM 227 OE1 GLU B 244 26.775 48.293 54.066 1.00 92.29 O ATOM 228 OE2 GLU B 244 28.750 48.634 54.983 1.00 91.20 O ATOM 229 H GLU B 244 25.967 43.298 54.344 1.00 0.00 H ATOM 230 N SER B 245 28.500 43.272 56.514 1.00 45.40 N ATOM 231 CA SER B 245 29.305 42.921 57.683 1.00 43.45 C ATOM 232 C SER B 245 30.167 41.673 57.460 1.00 43.35 C ATOM 233 O SER B 245 31.334 41.690 57.840 1.00 42.97 O ATOM 234 CB SER B 245 28.414 42.731 58.911 1.00 46.30 C ATOM 235 OG SER B 245 27.647 41.540 58.816 1.00 48.94 O ATOM 236 HG SER B 245 27.083 41.447 59.624 1.00 0.00 H ATOM 237 H SER B 245 27.465 43.236 56.612 1.00 0.00 H ATOM 238 N THR B 246 29.594 40.599 56.869 1.00 37.16 N ATOM 239 CA THR B 246 30.291 39.335 56.611 1.00 37.45 C ATOM 240 C THR B 246 31.446 39.539 55.634 1.00 42.27 C ATOM 241 O THR B 246 32.534 39.007 55.864 1.00 42.52 O ATOM 242 CB THR B 246 29.312 38.240 56.137 1.00 43.78 C ATOM 243 OG1 THR B 246 28.114 38.291 56.909 1.00 47.59 O ATOM 244 CG2 THR B 246 29.902 36.846 56.225 1.00 40.26 C ATOM 245 HG1 THR B 246 27.492 37.586 56.598 1.00 0.00 H ATOM 246 H THR B 246 28.598 40.675 56.580 1.00 0.00 H ATOM 247 N THR B 247 31.209 40.323 54.558 1.00 38.64 N ATOM 248 CA THR B 247 32.215 40.639 53.535 1.00 37.49 C ATOM 249 C THR B 247 33.374 41.401 54.189 1.00 38.09 C ATOM 250 O THR B 247 34.525 40.964 54.086 1.00 37.48 O ATOM 251 CB THR B 247 31.589 41.446 52.366 1.00 44.23 C ATOM 252 OG1 THR B 247 30.345 40.871 51.997 1.00 42.25 O ATOM 253 CG2 THR B 247 32.490 41.489 51.142 1.00 41.10 C ATOM 254 HG1 THR B 247 29.731 40.889 52.774 1.00 0.00 H ATOM 255 H THR B 247 30.257 40.727 54.448 1.00 0.00 H ATOM 256 N THR B 248 33.041 42.502 54.901 1.00 32.42 N ATOM 257 CA THR B 248 33.941 43.407 55.627 1.00 31.86 C ATOM 258 C THR B 248 34.757 42.629 56.667 1.00 34.29 C ATOM 259 O THR B 248 35.973 42.814 56.739 1.00 31.37 O ATOM 260 CB THR B 248 33.119 44.562 56.246 1.00 39.42 C ATOM 261 OG1 THR B 248 32.411 45.226 55.205 1.00 43.50 O ATOM 262 CG2 THR B 248 33.958 45.577 56.995 1.00 35.80 C ATOM 263 HG1 THR B 248 31.805 44.583 54.757 1.00 0.00 H ATOM 264 H THR B 248 32.028 42.735 54.939 1.00 0.00 H ATOM 265 N ASN B 249 34.094 41.746 57.444 1.00 30.97 N ATOM 266 CA ASN B 249 34.793 40.971 58.475 1.00 30.25 C ATOM 267 C ASN B 249 35.797 40.012 57.894 1.00 30.12 C ATOM 268 O ASN B 249 36.913 39.928 58.409 1.00 30.02 O ATOM 269 CB ASN B 249 33.828 40.256 59.420 1.00 34.84 C ATOM 270 CG ASN B 249 33.130 41.189 60.374 1.00 57.27 C ATOM 271 OD1 ASN B 249 33.618 42.277 60.716 1.00 57.29 O ATOM 272 ND2 ASN B 249 31.950 40.793 60.806 1.00 50.36 N ATOM 273 HD22 ASN B 249 31.566 39.875 60.502 1.00 0.00 H ATOM 274 HD21 ASN B 249 31.402 41.398 61.451 1.00 0.00 H ATOM 275 H ASN B 249 33.071 41.613 57.309 1.00 0.00 H ATOM 276 N TYR B 250 35.422 39.315 56.815 1.00 24.83 N ATOM 277 CA TYR B 250 36.306 38.360 56.142 1.00 25.10 C ATOM 278 C TYR B 250 37.599 39.100 55.686 1.00 28.04 C ATOM 279 O TYR B 250 38.712 38.655 55.982 1.00 24.75 O ATOM 280 CB TYR B 250 35.578 37.740 54.932 1.00 26.71 C ATOM 281 CG TYR B 250 36.382 36.686 54.212 1.00 30.17 C ATOM 282 CD1 TYR B 250 37.339 37.037 53.263 1.00 31.05 C ATOM 283 CD2 TYR B 250 36.205 35.336 54.490 1.00 31.97 C ATOM 284 CE1 TYR B 250 38.116 36.074 52.628 1.00 30.45 C ATOM 285 CE2 TYR B 250 36.971 34.359 53.848 1.00 33.22 C ATOM 286 CZ TYR B 250 37.925 34.737 52.916 1.00 38.92 C ATOM 287 OH TYR B 250 38.688 33.798 52.265 1.00 39.09 O ATOM 288 HH TYR B 250 38.096 33.189 51.756 1.00 0.00 H ATOM 289 H TYR B 250 34.463 39.457 56.438 1.00 0.00 H ATOM 290 N LEU B 251 37.426 40.246 55.025 1.00 26.39 N ATOM 291 CA LEU B 251 38.537 41.049 54.515 1.00 26.39 C ATOM 292 C LEU B 251 39.404 41.694 55.569 1.00 28.12 C ATOM 293 O LEU B 251 40.622 41.657 55.425 1.00 27.45 O ATOM 294 CB LEU B 251 38.091 41.996 53.392 1.00 27.34 C ATOM 295 CG LEU B 251 37.489 41.289 52.155 1.00 33.21 C ATOM 296 CD1 LEU B 251 37.163 42.255 51.087 1.00 33.88 C ATOM 297 CD2 LEU B 251 38.410 40.218 51.599 1.00 38.22 C ATOM 298 H LEU B 251 36.456 40.584 54.865 1.00 0.00 H ATOM 299 N ILE B 252 38.813 42.206 56.677 1.00 23.33 N ATOM 300 CA ILE B 252 39.588 42.786 57.776 1.00 22.92 C ATOM 301 C ILE B 252 40.485 41.710 58.382 1.00 25.02 C ATOM 302 O ILE B 252 41.676 41.948 58.573 1.00 23.84 O ATOM 303 CB ILE B 252 38.674 43.451 58.844 1.00 26.87 C ATOM 304 CG1 ILE B 252 38.087 44.780 58.295 1.00 28.43 C ATOM 305 CG2 ILE B 252 39.427 43.697 60.150 1.00 28.82 C ATOM 306 CD1 ILE B 252 36.942 45.409 59.157 1.00 37.89 C ATOM 307 H ILE B 252 37.776 42.186 56.749 1.00 0.00 H ATOM 308 N GLU B 253 39.899 40.534 58.712 1.00 20.98 N ATOM 309 CA GLU B 253 40.657 39.432 59.325 1.00 19.55 C ATOM 310 C GLU B 253 41.734 38.906 58.368 1.00 21.59 C ATOM 311 O GLU B 253 42.868 38.710 58.816 1.00 17.44 O ATOM 312 CB GLU B 253 39.751 38.316 59.851 1.00 21.71 C ATOM 313 CG GLU B 253 38.927 38.720 61.075 1.00 24.37 C ATOM 314 CD GLU B 253 38.433 37.597 61.970 1.00 34.89 C ATOM 315 OE1 GLU B 253 39.131 36.563 62.105 1.00 24.95 O ATOM 316 OE2 GLU B 253 37.353 37.778 62.572 1.00 30.33 O ATOM 317 H GLU B 253 38.884 40.406 58.527 1.00 0.00 H ATOM 318 N LEU B 254 41.407 38.762 57.047 1.00 20.45 N ATOM 319 CA LEU B 254 42.403 38.293 56.057 1.00 20.41 C ATOM 320 C LEU B 254 43.606 39.246 56.001 1.00 21.21 C ATOM 321 O LEU B 254 44.751 38.788 56.045 1.00 18.73 O ATOM 322 CB LEU B 254 41.785 38.094 54.661 1.00 19.52 C ATOM 323 CG LEU B 254 42.704 37.599 53.530 1.00 23.67 C ATOM 324 CD1 LEU B 254 41.932 36.731 52.544 1.00 22.89 C ATOM 325 CD2 LEU B 254 43.342 38.764 52.773 1.00 25.26 C ATOM 326 H LEU B 254 40.441 38.986 56.733 1.00 0.00 H ATOM 327 N ILE B 255 43.347 40.565 55.848 1.00 20.11 N ATOM 328 CA ILE B 255 44.430 41.565 55.801 1.00 19.87 C ATOM 329 C ILE B 255 45.266 41.574 57.066 1.00 21.36 C ATOM 330 O ILE B 255 46.498 41.627 56.980 1.00 20.33 O ATOM 331 CB ILE B 255 43.922 42.973 55.366 1.00 21.99 C ATOM 332 CG1 ILE B 255 43.336 42.946 53.924 1.00 22.35 C ATOM 333 CG2 ILE B 255 45.004 44.046 55.552 1.00 21.20 C ATOM 334 CD1 ILE B 255 44.288 42.496 52.778 1.00 24.29 C ATOM 335 H ILE B 255 42.360 40.882 55.761 1.00 0.00 H ATOM 336 N ASP B 256 44.612 41.424 58.256 1.00 19.82 N ATOM 337 CA ASP B 256 45.337 41.357 59.521 1.00 18.32 C ATOM 338 C ASP B 256 46.280 40.114 59.574 1.00 19.57 C ATOM 339 O ASP B 256 47.419 40.237 60.024 1.00 17.86 O ATOM 340 CB ASP B 256 44.363 41.396 60.701 1.00 18.71 C ATOM 341 CG ASP B 256 45.044 41.193 62.026 1.00 21.28 C ATOM 342 OD1 ASP B 256 45.799 42.095 62.450 1.00 21.88 O ATOM 343 OD2 ASP B 256 44.850 40.129 62.619 1.00 22.36 O ATOM 344 H ASP B 256 43.574 41.356 58.261 1.00 0.00 H ATOM 345 N ARG B 257 45.819 38.934 59.095 1.00 18.09 N ATOM 346 CA ARG B 257 46.691 37.744 59.060 1.00 17.55 C ATOM 347 C ARG B 257 47.810 37.920 58.022 1.00 21.47 C ATOM 348 O ARG B 257 48.931 37.554 58.317 1.00 21.81 O ATOM 349 CB ARG B 257 45.889 36.460 58.780 1.00 18.75 C ATOM 350 CG ARG B 257 44.982 36.056 59.951 1.00 19.58 C ATOM 351 CD ARG B 257 44.264 34.720 59.695 1.00 18.25 C ATOM 352 NE ARG B 257 43.559 34.699 58.413 1.00 20.52 N ATOM 353 CZ ARG B 257 42.272 34.979 58.233 1.00 26.22 C ATOM 354 NH1 ARG B 257 41.488 35.241 59.273 1.00 21.86 N ATOM 355 NH2 ARG B 257 41.739 34.908 57.025 1.00 20.57 N ATOM 356 HE ARG B 257 44.112 34.443 57.570 1.00 0.00 H ATOM 357 HH12 ARG B 257 40.482 35.459 59.124 1.00 0.00 H ATOM 358 HH11 ARG B 257 41.880 35.228 60.236 1.00 0.00 H ATOM 359 HH22 ARG B 257 40.732 35.128 56.887 1.00 0.00 H ATOM 360 HH21 ARG B 257 42.327 34.633 56.213 1.00 0.00 H ATOM 361 H ARG B 257 44.841 38.866 58.748 1.00 0.00 H ATOM 362 N VAL B 258 47.522 38.501 56.833 1.00 17.30 N ATOM 363 CA VAL B 258 48.541 38.736 55.781 1.00 17.57 C ATOM 364 C VAL B 258 49.582 39.701 56.372 1.00 19.06 C ATOM 365 O VAL B 258 50.797 39.483 56.255 1.00 17.71 O ATOM 366 CB VAL B 258 47.934 39.259 54.434 1.00 20.77 C ATOM 367 CG1 VAL B 258 49.048 39.700 53.474 1.00 20.62 C ATOM 368 CG2 VAL B 258 47.063 38.190 53.753 1.00 19.78 C ATOM 369 H VAL B 258 46.542 38.796 56.649 1.00 0.00 H ATOM 370 N ASP B 259 49.097 40.745 57.074 1.00 16.65 N ATOM 371 CA ASP B 259 49.990 41.705 57.744 1.00 16.22 C ATOM 372 C ASP B 259 50.942 41.032 58.746 1.00 20.97 C ATOM 373 O ASP B 259 52.106 41.438 58.829 1.00 21.44 O ATOM 374 CB ASP B 259 49.163 42.777 58.452 1.00 17.63 C ATOM 375 CG ASP B 259 50.004 43.867 59.103 1.00 24.51 C ATOM 376 OD1 ASP B 259 50.911 44.397 58.434 1.00 23.98 O ATOM 377 OD2 ASP B 259 49.772 44.158 60.273 1.00 23.74 O ATOM 378 H ASP B 259 48.068 40.875 57.144 1.00 0.00 H ATOM 379 N ASP B 260 50.468 40.028 59.517 1.00 18.13 N ATOM 380 CA ASP B 260 51.331 39.313 60.481 1.00 18.61 C ATOM 381 C ASP B 260 52.531 38.683 59.767 1.00 21.57 C ATOM 382 O ASP B 260 53.650 38.718 60.292 1.00 22.82 O ATOM 383 CB ASP B 260 50.536 38.215 61.221 1.00 20.18 C ATOM 384 CG ASP B 260 49.527 38.726 62.247 1.00 25.12 C ATOM 385 OD1 ASP B 260 49.625 39.902 62.640 1.00 24.81 O ATOM 386 OD2 ASP B 260 48.614 37.957 62.615 1.00 26.22 O ATOM 387 H ASP B 260 49.469 39.751 59.430 1.00 0.00 H ATOM 388 N ILE B 261 52.294 38.126 58.558 1.00 19.72 N ATOM 389 CA ILE B 261 53.346 37.502 57.734 1.00 20.00 C ATOM 390 C ILE B 261 54.370 38.581 57.346 1.00 22.64 C ATOM 391 O ILE B 261 55.563 38.413 57.567 1.00 24.18 O ATOM 392 CB ILE B 261 52.724 36.802 56.485 1.00 22.73 C ATOM 393 CG1 ILE B 261 51.904 35.558 56.883 1.00 23.47 C ATOM 394 CG2 ILE B 261 53.824 36.436 55.467 1.00 24.38 C ATOM 395 CD1 ILE B 261 51.009 35.003 55.715 1.00 29.24 C ATOM 396 H ILE B 261 51.321 38.138 58.191 1.00 0.00 H ATOM 397 N TYR B 262 53.889 39.701 56.799 1.00 20.45 N ATOM 398 CA TYR B 262 54.738 40.827 56.427 1.00 19.60 C ATOM 399 C TYR B 262 55.518 41.430 57.591 1.00 25.59 C ATOM 400 O TYR B 262 56.725 41.647 57.451 1.00 25.18 O ATOM 401 CB TYR B 262 53.904 41.892 55.707 1.00 20.76 C ATOM 402 CG TYR B 262 53.709 41.562 54.249 1.00 21.09 C ATOM 403 CD1 TYR B 262 52.704 40.686 53.839 1.00 22.28 C ATOM 404 CD2 TYR B 262 54.572 42.064 53.280 1.00 21.25 C ATOM 405 CE1 TYR B 262 52.517 40.385 52.490 1.00 20.94 C ATOM 406 CE2 TYR B 262 54.418 41.740 51.939 1.00 21.26 C ATOM 407 CZ TYR B 262 53.407 40.881 51.551 1.00 26.27 C ATOM 408 OH TYR B 262 53.276 40.565 50.224 1.00 23.79 O ATOM 409 HH TYR B 262 52.513 39.945 50.107 1.00 0.00 H ATOM 410 H TYR B 262 52.865 39.773 56.631 1.00 0.00 H ATOM 411 N ARG B 263 54.848 41.721 58.724 1.00 22.21 N ATOM 412 CA ARG B 263 55.525 42.324 59.896 1.00 22.28 C ATOM 413 C ARG B 263 56.646 41.480 60.480 1.00 27.04 C ATOM 414 O ARG B 263 57.648 42.039 60.922 1.00 27.54 O ATOM 415 CB ARG B 263 54.528 42.701 61.008 1.00 20.43 C ATOM 416 CG ARG B 263 53.451 43.649 60.559 1.00 20.90 C ATOM 417 CD ARG B 263 53.964 45.059 60.295 1.00 25.98 C ATOM 418 NE ARG B 263 52.916 45.897 59.719 1.00 26.69 N ATOM 419 CZ ARG B 263 52.965 47.224 59.643 1.00 40.75 C ATOM 420 NH1 ARG B 263 54.026 47.882 60.087 1.00 30.30 N ATOM 421 NH2 ARG B 263 51.959 47.900 59.109 1.00 26.01 N ATOM 422 HE ARG B 263 52.071 45.422 59.341 1.00 0.00 H ATOM 423 HH12 ARG B 263 54.058 48.920 60.025 1.00 0.00 H ATOM 424 HH11 ARG B 263 54.827 47.361 60.498 1.00 0.00 H ATOM 425 HH22 ARG B 263 52.002 48.938 59.052 1.00 0.00 H ATOM 426 HH21 ARG B 263 51.126 47.393 58.747 1.00 0.00 H ATOM 427 H ARG B 263 53.830 41.517 58.777 1.00 0.00 H ATOM 428 N ASN B 264 56.475 40.158 60.512 1.00 23.02 N ATOM 429 CA ASN B 264 57.458 39.230 61.063 1.00 24.41 C ATOM 430 C ASN B 264 58.627 39.000 60.103 1.00 29.41 C ATOM 431 O ASN B 264 59.583 38.319 60.472 1.00 30.17 O ATOM 432 CB ASN B 264 56.792 37.882 61.394 1.00 26.49 C ATOM 433 CG ASN B 264 55.882 37.896 62.608 1.00 56.87 C ATOM 434 OD1 ASN B 264 56.225 38.402 63.685 1.00 56.21 O ATOM 435 ND2 ASN B 264 54.722 37.273 62.476 1.00 44.35 N ATOM 436 HD22 ASN B 264 54.457 36.856 61.561 1.00 0.00 H ATOM 437 HD21 ASN B 264 54.076 37.200 63.287 1.00 0.00 H ATOM 438 H ASN B 264 55.593 39.767 60.123 1.00 0.00 H ATOM 439 N THR B 265 58.557 39.532 58.879 1.00 25.61 N ATOM 440 CA THR B 265 59.627 39.295 57.900 1.00 25.42 C ATOM 441 C THR B 265 60.756 40.311 58.045 1.00 31.69 C ATOM 442 O THR B 265 60.535 41.517 57.887 1.00 30.20 O ATOM 443 CB THR B 265 59.076 39.247 56.450 1.00 28.96 C ATOM 444 OG1 THR B 265 58.021 38.289 56.351 1.00 26.33 O ATOM 445 CG2 THR B 265 60.152 38.885 55.434 1.00 29.29 C ATOM 446 HG1 THR B 265 57.288 38.542 56.967 1.00 0.00 H ATOM 447 H THR B 265 57.739 40.118 58.617 1.00 0.00 H ATOM 448 N ALA B 266 61.974 39.808 58.285 1.00 31.15 N ATOM 449 CA ALA B 266 63.174 40.635 58.374 1.00 31.43 C ATOM 450 C ALA B 266 63.787 40.579 56.986 1.00 33.87 C ATOM 451 O ALA B 266 64.395 39.574 56.597 1.00 33.61 O ATOM 452 CB ALA B 266 64.128 40.079 59.427 1.00 32.51 C ATOM 453 H ALA B 266 62.069 38.780 58.414 1.00 0.00 H ATOM 454 N TRP B 267 63.544 41.636 56.208 1.00 30.23 N ATOM 455 CA TRP B 267 63.949 41.753 54.817 1.00 30.69 C ATOM 456 C TRP B 267 65.462 41.630 54.546 1.00 37.81 C ATOM 457 O TRP B 267 65.835 41.312 53.417 1.00 36.27 O ATOM 458 CB TRP B 267 63.324 42.997 54.170 1.00 29.99 C ATOM 459 CG TRP B 267 61.832 43.044 54.333 1.00 31.34 C ATOM 460 CD1 TRP B 267 61.130 43.788 55.235 1.00 34.29 C ATOM 461 CD2 TRP B 267 60.872 42.203 53.672 1.00 31.00 C ATOM 462 NE1 TRP B 267 59.788 43.508 55.140 1.00 33.90 N ATOM 463 CE2 TRP B 267 59.600 42.528 54.196 1.00 34.75 C ATOM 464 CE3 TRP B 267 60.959 41.235 52.657 1.00 31.99 C ATOM 465 CZ2 TRP B 267 58.424 41.912 53.744 1.00 33.86 C ATOM 466 CZ3 TRP B 267 59.796 40.609 52.228 1.00 33.51 C ATOM 467 CH2 TRP B 267 58.547 40.952 52.762 1.00 33.95 C ATOM 468 HE1 TRP B 267 59.036 43.965 55.694 1.00 0.00 H ATOM 469 H TRP B 267 63.027 42.435 56.628 1.00 0.00 H ATOM 470 N ASP B 268 66.313 41.830 55.591 1.00 37.93 N ATOM 471 CA ASP B 268 67.782 41.740 55.552 1.00 38.98 C ATOM 472 C ASP B 268 68.330 40.587 56.430 1.00 46.96 C ATOM 473 O ASP B 268 69.543 40.503 56.662 1.00 47.84 O ATOM 474 CB ASP B 268 68.400 43.092 55.969 1.00 40.37 C ATOM 475 CG ASP B 268 68.222 43.489 57.434 1.00 48.11 C ATOM 476 OD1 ASP B 268 67.416 42.836 58.140 1.00 46.19 O ATOM 477 OD2 ASP B 268 68.853 44.482 57.860 1.00 54.76 O ATOM 478 H ASP B 268 65.882 42.070 56.507 1.00 0.00 H ATOM 479 N ASN B 269 67.425 39.728 56.944 1.00 45.27 N ATOM 480 CA ASN B 269 67.703 38.577 57.815 1.00 46.32 C ATOM 481 C ASN B 269 68.252 38.928 59.198 1.00 53.42 C ATOM 482 O ASN B 269 68.692 38.038 59.932 1.00 54.30 O ATOM 483 CB ASN B 269 68.532 37.503 57.116 1.00 47.40 C ATOM 484 CG ASN B 269 67.932 37.087 55.808 1.00 64.34 C ATOM 485 OD1 ASN B 269 66.894 36.422 55.761 1.00 58.27 O ATOM 486 ND2 ASN B 269 68.522 37.556 54.723 1.00 55.73 N ATOM 487 HD22 ASN B 269 69.397 38.113 54.806 1.00 0.00 H ATOM 488 HD21 ASN B 269 68.112 37.369 53.786 1.00 0.00 H ATOM 489 H ASN B 269 66.429 39.898 56.699 1.00 0.00 H ATOM 490 N ALA B 270 68.170 40.214 59.569 1.00 50.70 N ATOM 491 CA ALA B 270 68.596 40.734 60.860 1.00 50.96 C ATOM 492 C ALA B 270 67.391 41.367 61.551 1.00 54.85 C ATOM 493 O ALA B 270 66.488 40.637 61.967 1.00 54.78 O ATOM 494 CB ALA B 270 69.725 41.745 60.680 1.00 51.59 C ATOM 495 H ALA B 270 67.773 40.889 58.884 1.00 0.00 H ATOM 496 N GLY B 271 67.359 42.699 61.618 1.00 51.39 N ATOM 497 CA GLY B 271 66.289 43.440 62.272 1.00 50.60 C ATOM 498 C GLY B 271 65.549 44.447 61.418 1.00 51.62 C ATOM 499 O GLY B 271 64.892 45.340 61.965 1.00 51.23 O ATOM 500 H GLY B 271 68.136 43.235 61.182 1.00 0.00 H ATOM 501 N PHE B 272 65.636 44.328 60.079 1.00 45.31 N ATOM 502 CA PHE B 272 64.891 45.233 59.211 1.00 43.77 C ATOM 503 C PHE B 272 63.525 44.582 58.969 1.00 44.09 C ATOM 504 O PHE B 272 63.283 43.979 57.918 1.00 43.51 O ATOM 505 CB PHE B 272 65.634 45.549 57.909 1.00 45.47 C ATOM 506 CG PHE B 272 65.062 46.711 57.137 1.00 47.44 C ATOM 507 CD1 PHE B 272 65.454 48.015 57.418 1.00 51.18 C ATOM 508 CD2 PHE B 272 64.125 46.505 56.130 1.00 49.69 C ATOM 509 CE1 PHE B 272 64.919 49.094 56.703 1.00 52.34 C ATOM 510 CE2 PHE B 272 63.607 47.579 55.404 1.00 53.02 C ATOM 511 CZ PHE B 272 63.999 48.868 55.700 1.00 51.55 C ATOM 512 H PHE B 272 66.237 43.588 59.663 1.00 0.00 H ATOM 513 N LYS B 273 62.672 44.657 60.004 1.00 37.25 N ATOM 514 CA LYS B 273 61.329 44.089 60.064 1.00 35.30 C ATOM 515 C LYS B 273 60.288 45.112 60.531 1.00 38.51 C ATOM 516 O LYS B 273 60.601 46.302 60.660 1.00 38.13 O ATOM 517 CB LYS B 273 61.331 42.795 60.912 1.00 37.77 C ATOM 518 CG LYS B 273 61.592 42.960 62.408 1.00 54.59 C ATOM 519 CD LYS B 273 62.298 41.740 63.017 1.00 68.51 C ATOM 520 CE LYS B 273 61.452 40.485 63.086 1.00 83.75 C ATOM 521 NZ LYS B 273 62.294 39.262 63.205 1.00 93.91 N ATOM 522 HZ1 LYS B 273 62.920 39.192 62.377 1.00 0.00 H ATOM 523 HZ2 LYS B 273 62.867 39.320 64.071 1.00 0.00 H ATOM 524 HZ3 LYS B 273 61.681 38.423 63.250 1.00 0.00 H ATOM 525 H LYS B 273 63.001 45.171 60.846 1.00 0.00 H ATOM 526 N GLY B 274 59.053 44.651 60.737 1.00 32.87 N ATOM 527 CA GLY B 274 57.973 45.511 61.185 1.00 32.04 C ATOM 528 C GLY B 274 57.341 46.292 60.063 1.00 32.60 C ATOM 529 O GLY B 274 56.643 47.266 60.325 1.00 31.03 O ATOM 530 H GLY B 274 58.858 43.643 60.571 1.00 0.00 H ATOM 531 N TYR B 275 57.570 45.865 58.795 1.00 28.78 N ATOM 532 CA TYR B 275 56.955 46.480 57.618 1.00 28.05 C ATOM 533 C TYR B 275 55.717 45.653 57.222 1.00 27.52 C ATOM 534 O TYR B 275 55.776 44.442 57.250 1.00 26.61 O ATOM 535 CB TYR B 275 57.968 46.533 56.469 1.00 31.28 C ATOM 536 CG TYR B 275 58.948 47.670 56.635 1.00 36.21 C ATOM 537 CD1 TYR B 275 60.089 47.525 57.420 1.00 39.63 C ATOM 538 CD2 TYR B 275 58.712 48.907 56.050 1.00 38.15 C ATOM 539 CE1 TYR B 275 60.966 48.588 57.625 1.00 42.45 C ATOM 540 CE2 TYR B 275 59.580 49.979 56.247 1.00 39.73 C ATOM 541 CZ TYR B 275 60.714 49.811 57.027 1.00 49.64 C ATOM 542 OH TYR B 275 61.578 50.858 57.226 1.00 54.39 O ATOM 543 HH TYR B 275 61.096 51.603 57.665 1.00 0.00 H ATOM 544 H TYR B 275 58.214 45.061 58.653 1.00 0.00 H ATOM 545 N GLY B 276 54.624 46.303 56.879 1.00 24.35 N ATOM 546 CA GLY B 276 53.398 45.597 56.536 1.00 24.42 C ATOM 547 C GLY B 276 52.363 46.437 55.832 1.00 28.60 C ATOM 548 O GLY B 276 52.680 47.393 55.117 1.00 29.47 O ATOM 549 H GLY B 276 54.637 47.343 56.853 1.00 0.00 H ATOM 550 N ILE B 277 51.113 46.069 56.032 1.00 24.43 N ATOM 551 CA ILE B 277 49.969 46.653 55.348 1.00 22.80 C ATOM 552 C ILE B 277 48.876 46.997 56.336 1.00 28.51 C ATOM 553 O ILE B 277 48.900 46.540 57.478 1.00 30.23 O ATOM 554 CB ILE B 277 49.454 45.662 54.257 1.00 24.52 C ATOM 555 CG1 ILE B 277 49.110 44.274 54.898 1.00 24.23 C ATOM 556 CG2 ILE B 277 50.480 45.517 53.099 1.00 21.96 C ATOM 557 CD1 ILE B 277 48.422 43.268 53.978 1.00 27.36 C ATOM 558 H ILE B 277 50.933 45.313 56.723 1.00 0.00 H ATOM 559 N GLN B 278 47.901 47.773 55.890 1.00 24.59 N ATOM 560 CA GLN B 278 46.778 48.179 56.730 1.00 25.24 C ATOM 561 C GLN B 278 45.677 48.624 55.799 1.00 28.63 C ATOM 562 O GLN B 278 45.962 49.334 54.831 1.00 28.67 O ATOM 563 CB GLN B 278 47.233 49.361 57.605 1.00 27.29 C ATOM 564 CG GLN B 278 46.387 49.660 58.823 1.00 42.18 C ATOM 565 CD GLN B 278 47.176 50.535 59.760 1.00 62.10 C ATOM 566 OE1 GLN B 278 47.102 51.766 59.718 1.00 51.69 O ATOM 567 NE2 GLN B 278 47.999 49.912 60.591 1.00 61.94 N ATOM 568 HE22 GLN B 278 48.038 48.873 60.602 1.00 0.00 H ATOM 569 HE21 GLN B 278 48.606 50.462 61.232 1.00 0.00 H ATOM 570 H GLN B 278 47.936 48.106 54.905 1.00 0.00 H ATOM 571 N ILE B 279 44.437 48.197 56.054 1.00 25.12 N ATOM 572 CA ILE B 279 43.320 48.645 55.233 1.00 24.61 C ATOM 573 C ILE B 279 43.096 50.138 55.533 1.00 33.30 C ATOM 574 O ILE B 279 42.984 50.525 56.711 1.00 34.58 O ATOM 575 CB ILE B 279 42.024 47.857 55.511 1.00 26.35 C ATOM 576 CG1 ILE B 279 42.152 46.354 55.165 1.00 26.96 C ATOM 577 CG2 ILE B 279 40.837 48.512 54.756 1.00 23.97 C ATOM 578 CD1 ILE B 279 40.867 45.509 55.413 1.00 27.11 C ATOM 579 H ILE B 279 44.268 47.541 56.843 1.00 0.00 H ATOM 580 N GLU B 280 43.066 50.972 54.481 1.00 30.06 N ATOM 581 CA GLU B 280 42.768 52.395 54.641 1.00 30.87 C ATOM 582 C GLU B 280 41.277 52.601 54.439 1.00 37.09 C ATOM 583 O GLU B 280 40.663 53.357 55.193 1.00 38.73 O ATOM 584 CB GLU B 280 43.575 53.269 53.667 1.00 32.37 C ATOM 585 CG GLU B 280 43.456 54.760 53.957 1.00 47.46 C ATOM 586 CD GLU B 280 44.248 55.672 53.045 1.00 77.57 C ATOM 587 OE1 GLU B 280 45.430 55.949 53.355 1.00 75.03 O ATOM 588 OE2 GLU B 280 43.673 56.142 52.036 1.00 80.43 O ATOM 589 H GLU B 280 43.259 50.597 53.530 1.00 0.00 H ATOM 590 N GLN B 281 40.699 51.936 53.430 1.00 33.27 N ATOM 591 CA GLN B 281 39.279 52.011 53.088 1.00 33.78 C ATOM 592 C GLN B 281 38.815 50.718 52.442 1.00 37.06 C ATOM 593 O GLN B 281 39.534 50.155 51.615 1.00 35.15 O ATOM 594 CB GLN B 281 39.033 53.181 52.112 1.00 35.52 C ATOM 595 CG GLN B 281 37.565 53.607 51.971 1.00 55.49 C ATOM 596 CD GLN B 281 37.241 54.262 50.642 1.00 75.92 C ATOM 597 OE1 GLN B 281 36.175 54.024 50.053 1.00 71.04 O ATOM 598 NE2 GLN B 281 38.138 55.111 50.140 1.00 67.90 N ATOM 599 HE22 GLN B 281 39.024 55.294 50.652 1.00 0.00 H ATOM 600 HE21 GLN B 281 37.951 55.590 49.236 1.00 0.00 H ATOM 601 H GLN B 281 41.304 51.322 52.848 1.00 0.00 H ATOM 602 N ILE B 282 37.605 50.262 52.805 1.00 34.41 N ATOM 603 CA ILE B 282 36.961 49.085 52.238 1.00 34.67 C ATOM 604 C ILE B 282 35.776 49.572 51.406 1.00 42.31 C ATOM 605 O ILE B 282 34.908 50.280 51.925 1.00 42.72 O ATOM 606 CB ILE B 282 36.487 48.051 53.298 1.00 38.13 C ATOM 607 CG1 ILE B 282 37.541 47.799 54.365 1.00 39.69 C ATOM 608 CG2 ILE B 282 36.073 46.737 52.626 1.00 38.34 C ATOM 609 CD1 ILE B 282 37.083 47.041 55.597 1.00 47.12 C ATOM 610 H ILE B 282 37.092 50.786 53.543 1.00 0.00 H ATOM 611 N ARG B 283 35.726 49.190 50.130 1.00 39.30 N ATOM 612 CA ARG B 283 34.597 49.545 49.285 1.00 39.54 C ATOM 613 C ARG B 283 33.956 48.265 48.777 1.00 45.99 C ATOM 614 O ARG B 283 34.577 47.505 48.027 1.00 46.87 O ATOM 615 CB ARG B 283 35.002 50.513 48.157 1.00 38.51 C ATOM 616 H ARG B 283 36.507 48.629 49.733 1.00 0.00 H ATOM 617 N ILE B 284 32.739 47.977 49.264 1.00 42.71 N ATOM 618 CA ILE B 284 31.996 46.789 48.859 1.00 42.80 C ATOM 619 C ILE B 284 31.001 47.215 47.790 1.00 49.42 C ATOM 620 O ILE B 284 30.244 48.167 47.994 1.00 48.70 O ATOM 621 CB ILE B 284 31.309 46.031 50.038 1.00 45.84 C ATOM 622 CG1 ILE B 284 32.269 45.768 51.219 1.00 46.55 C ATOM 623 CG2 ILE B 284 30.726 44.722 49.557 1.00 46.92 C ATOM 624 CD1 ILE B 284 32.089 46.683 52.348 1.00 55.64 C ATOM 625 H ILE B 284 32.310 48.625 49.955 1.00 0.00 H ATOM 626 N LEU B 285 31.031 46.528 46.640 1.00 48.42 N ATOM 627 CA LEU B 285 30.133 46.787 45.524 1.00 48.62 C ATOM 628 C LEU B 285 29.066 45.715 45.591 1.00 54.38 C ATOM 629 O LEU B 285 29.315 44.560 45.239 1.00 54.22 O ATOM 630 CB LEU B 285 30.890 46.795 44.176 1.00 48.49 C ATOM 631 CG LEU B 285 32.130 47.701 44.105 1.00 52.96 C ATOM 632 CD1 LEU B 285 32.966 47.375 42.902 1.00 53.19 C ATOM 633 CD2 LEU B 285 31.770 49.187 44.120 1.00 54.03 C ATOM 634 H LEU B 285 31.734 45.768 46.539 1.00 0.00 H ATOM 635 N LYS B 286 27.906 46.085 46.177 1.00 52.02 N ATOM 636 CA LYS B 286 26.757 45.199 46.416 1.00 51.64 C ATOM 637 C LYS B 286 26.141 44.643 45.125 1.00 54.25 C ATOM 638 O LYS B 286 25.839 43.448 45.052 1.00 53.69 O ATOM 639 CB LYS B 286 25.686 45.907 47.274 1.00 53.88 C ATOM 640 CG LYS B 286 26.143 46.303 48.676 1.00 67.13 C ATOM 641 H LYS B 286 27.819 47.075 46.483 1.00 0.00 H ATOM 642 N SER B 287 25.989 45.507 44.105 1.00 50.21 N ATOM 643 CA SER B 287 25.384 45.174 42.814 1.00 50.02 C ATOM 644 C SER B 287 26.372 45.300 41.629 1.00 52.85 C ATOM 645 O SER B 287 27.330 46.076 41.728 1.00 50.82 O ATOM 646 CB SER B 287 24.177 46.083 42.574 1.00 53.55 C ATOM 647 H SER B 287 26.325 46.481 44.243 1.00 0.00 H ATOM 648 N PRO B 288 26.122 44.617 40.476 1.00 50.09 N ATOM 649 CA PRO B 288 27.018 44.780 39.316 1.00 49.98 C ATOM 650 C PRO B 288 26.925 46.172 38.705 1.00 54.04 C ATOM 651 O PRO B 288 25.951 46.893 38.956 1.00 53.18 O ATOM 652 CB PRO B 288 26.518 43.723 38.323 1.00 51.77 C ATOM 653 CG PRO B 288 25.642 42.819 39.107 1.00 55.91 C ATOM 654 CD PRO B 288 25.034 43.673 40.158 1.00 51.46 C ATOM 655 N GLN B 289 27.946 46.568 37.926 1.00 50.32 N ATOM 656 CA GLN B 289 27.950 47.876 37.279 1.00 49.63 C ATOM 657 C GLN B 289 27.162 47.835 35.964 1.00 54.61 C ATOM 658 O GLN B 289 27.297 46.890 35.168 1.00 53.18 O ATOM 659 CB GLN B 289 29.378 48.413 37.089 1.00 50.57 C ATOM 660 CG GLN B 289 29.478 49.803 36.431 1.00 59.33 C ATOM 661 CD GLN B 289 29.132 50.979 37.323 1.00 76.24 C ATOM 662 OE1 GLN B 289 29.296 50.954 38.548 1.00 71.15 O ATOM 663 NE2 GLN B 289 28.719 52.075 36.708 1.00 66.03 N ATOM 664 HE22 GLN B 289 28.588 52.074 35.676 1.00 0.00 H ATOM 665 HE21 GLN B 289 28.526 52.937 37.256 1.00 0.00 H ATOM 666 H GLN B 289 28.752 45.927 37.781 1.00 0.00 H ATOM 667 N GLU B 290 26.300 48.857 35.776 1.00 52.15 N ATOM 668 CA GLU B 290 25.476 49.036 34.581 1.00 51.64 C ATOM 669 C GLU B 290 26.384 49.596 33.489 1.00 54.49 C ATOM 670 O GLU B 290 26.944 50.686 33.653 1.00 53.49 O ATOM 671 CB GLU B 290 24.292 49.981 34.873 1.00 53.00 C ATOM 672 H GLU B 290 26.216 49.565 36.533 1.00 0.00 H ATOM 673 N VAL B 291 26.577 48.814 32.408 1.00 51.04 N ATOM 674 CA VAL B 291 27.456 49.167 31.285 1.00 51.49 C ATOM 675 C VAL B 291 26.723 49.511 29.978 1.00 57.92 C ATOM 676 O VAL B 291 25.754 48.843 29.616 1.00 57.36 O ATOM 677 CB VAL B 291 28.580 48.115 31.043 1.00 54.41 C ATOM 678 CG1 VAL B 291 29.607 48.127 32.172 1.00 53.95 C ATOM 679 CG2 VAL B 291 28.016 46.708 30.828 1.00 54.21 C ATOM 680 H VAL B 291 26.073 47.905 32.366 1.00 0.00 H ATOM 681 N LYS B 292 27.244 50.513 29.241 1.00 57.00 N ATOM 682 CA LYS B 292 26.750 50.912 27.916 1.00 57.78 C ATOM 683 C LYS B 292 27.157 49.806 26.891 1.00 64.20 C ATOM 684 O LYS B 292 28.003 48.971 27.237 1.00 64.06 O ATOM 685 CB LYS B 292 27.316 52.293 27.529 1.00 60.05 C ATOM 686 H LYS B 292 28.049 51.039 29.637 1.00 0.00 H ATOM 687 N PRO B 293 26.564 49.716 25.667 1.00 62.00 N ATOM 688 CA PRO B 293 26.940 48.614 24.753 1.00 61.56 C ATOM 689 C PRO B 293 28.418 48.600 24.378 1.00 63.89 C ATOM 690 O PRO B 293 28.987 49.651 24.068 1.00 62.98 O ATOM 691 CB PRO B 293 26.042 48.835 23.529 1.00 63.45 C ATOM 692 CG PRO B 293 24.921 49.680 24.017 1.00 68.21 C ATOM 693 CD PRO B 293 25.518 50.567 25.064 1.00 63.81 C ATOM 694 N GLY B 294 29.036 47.421 24.484 1.00 59.38 N ATOM 695 CA GLY B 294 30.453 47.233 24.185 1.00 58.41 C ATOM 696 C GLY B 294 31.406 47.782 25.233 1.00 59.69 C ATOM 697 O GLY B 294 32.579 47.400 25.250 1.00 60.33 O ATOM 698 H GLY B 294 28.482 46.597 24.794 1.00 0.00 H ATOM 699 N GLU B 295 30.918 48.696 26.104 1.00 52.90 N ATOM 700 CA GLU B 295 31.666 49.303 27.206 1.00 51.49 C ATOM 701 C GLU B 295 31.857 48.236 28.300 1.00 52.67 C ATOM 702 O GLU B 295 30.987 47.371 28.490 1.00 51.91 O ATOM 703 CB GLU B 295 30.908 50.536 27.756 1.00 52.78 C ATOM 704 CG GLU B 295 31.644 51.347 28.820 1.00 62.38 C ATOM 705 CD GLU B 295 30.814 52.118 29.838 1.00 82.37 C ATOM 706 OE1 GLU B 295 31.362 53.073 30.434 1.00 82.78 O ATOM 707 OE2 GLU B 295 29.639 51.751 30.076 1.00 72.30 O ATOM 708 H GLU B 295 29.929 48.992 25.980 1.00 0.00 H ATOM 709 N LYS B 296 33.002 48.289 28.998 1.00 46.63 N ATOM 710 CA LYS B 296 33.308 47.341 30.072 1.00 44.60 C ATOM 711 C LYS B 296 33.659 47.991 31.416 1.00 43.04 C ATOM 712 O LYS B 296 33.986 49.177 31.467 1.00 41.07 O ATOM 713 CB LYS B 296 34.303 46.239 29.632 1.00 47.37 C ATOM 714 CG LYS B 296 35.516 46.700 28.824 1.00 58.88 C ATOM 715 CD LYS B 296 36.083 45.553 28.001 1.00 67.01 C ATOM 716 CE LYS B 296 37.373 45.918 27.316 1.00 75.63 C ATOM 717 NZ LYS B 296 38.538 45.791 28.231 1.00 86.27 N ATOM 718 HZ1 LYS B 296 38.409 46.425 29.045 1.00 0.00 H ATOM 719 HZ2 LYS B 296 38.610 44.808 28.564 1.00 0.00 H ATOM 720 HZ3 LYS B 296 39.407 46.051 27.722 1.00 0.00 H ATOM 721 H LYS B 296 33.696 49.029 28.768 1.00 0.00 H ATOM 722 N HIS B 297 33.514 47.221 32.508 1.00 37.68 N ATOM 723 CA HIS B 297 33.810 47.623 33.890 1.00 35.27 C ATOM 724 C HIS B 297 34.182 46.362 34.661 1.00 36.47 C ATOM 725 O HIS B 297 33.591 45.305 34.417 1.00 35.01 O ATOM 726 CB HIS B 297 32.585 48.303 34.538 1.00 34.66 C ATOM 727 CG HIS B 297 32.880 49.015 35.826 1.00 36.32 C ATOM 728 ND1 HIS B 297 32.888 48.342 37.041 1.00 36.85 N ATOM 729 CD2 HIS B 297 33.169 50.316 36.051 1.00 36.46 C ATOM 730 CE1 HIS B 297 33.163 49.252 37.957 1.00 35.54 C ATOM 731 NE2 HIS B 297 33.357 50.452 37.414 1.00 35.85 N ATOM 732 H HIS B 297 33.161 46.254 32.362 1.00 0.00 H ATOM 733 N TYR B 298 35.153 46.455 35.592 1.00 34.04 N ATOM 734 CA TYR B 298 35.587 45.281 36.383 1.00 33.89 C ATOM 735 C TYR B 298 34.448 44.641 37.197 1.00 38.82 C ATOM 736 O TYR B 298 34.456 43.433 37.438 1.00 37.70 O ATOM 737 CB TYR B 298 36.788 45.613 37.285 1.00 34.19 C ATOM 738 CG TYR B 298 36.468 46.455 38.499 1.00 33.51 C ATOM 739 CD1 TYR B 298 36.518 47.842 38.440 1.00 34.85 C ATOM 740 CD2 TYR B 298 36.203 45.863 39.736 1.00 33.19 C ATOM 741 CE1 TYR B 298 36.257 48.625 39.564 1.00 34.94 C ATOM 742 CE2 TYR B 298 35.933 46.636 40.868 1.00 33.16 C ATOM 743 CZ TYR B 298 35.963 48.016 40.775 1.00 37.55 C ATOM 744 OH TYR B 298 35.756 48.794 41.880 1.00 34.40 O ATOM 745 HH TYR B 298 35.814 49.749 41.625 1.00 0.00 H ATOM 746 H TYR B 298 35.609 47.375 35.759 1.00 0.00 H ATOM 747 N ASN B 299 33.476 45.469 37.606 1.00 37.33 N ATOM 748 CA ASN B 299 32.329 45.051 38.398 1.00 37.88 C ATOM 749 C ASN B 299 31.069 44.737 37.570 1.00 45.67 C ATOM 750 O ASN B 299 29.998 44.560 38.148 1.00 45.54 O ATOM 751 CB ASN B 299 32.044 46.081 39.492 1.00 36.53 C ATOM 752 CG ASN B 299 31.026 45.617 40.508 1.00 51.25 C ATOM 753 OD1 ASN B 299 31.016 44.445 40.940 1.00 37.66 O ATOM 754 ND2 ASN B 299 30.100 46.506 40.838 1.00 43.47 N ATOM 755 HD22 ASN B 299 30.146 47.472 40.455 1.00 0.00 H ATOM 756 HD21 ASN B 299 29.327 46.238 41.480 1.00 0.00 H ATOM 757 H ASN B 299 33.546 46.472 37.341 1.00 0.00 H ATOM 758 N MET B 300 31.185 44.632 36.233 1.00 44.65 N ATOM 759 CA MET B 300 30.025 44.304 35.399 1.00 45.35 C ATOM 760 C MET B 300 29.575 42.862 35.623 1.00 51.01 C ATOM 761 O MET B 300 30.373 42.041 36.086 1.00 50.86 O ATOM 762 CB MET B 300 30.253 44.660 33.916 1.00 47.53 C ATOM 763 CG MET B 300 31.050 43.648 33.142 1.00 50.94 C ATOM 764 SD MET B 300 31.720 44.378 31.633 1.00 54.83 S ATOM 765 CE MET B 300 32.216 42.940 30.790 1.00 51.34 C ATOM 766 H MET B 300 32.111 44.786 35.785 1.00 0.00 H ATOM 767 N ALA B 301 28.293 42.570 35.354 1.00 48.44 N ATOM 768 CA ALA B 301 27.708 41.246 35.584 1.00 48.98 C ATOM 769 C ALA B 301 28.338 40.150 34.747 1.00 53.62 C ATOM 770 O ALA B 301 28.590 39.056 35.261 1.00 53.64 O ATOM 771 CB ALA B 301 26.203 41.286 35.351 1.00 49.99 C ATOM 772 H ALA B 301 27.686 43.319 34.964 1.00 0.00 H ATOM 773 N LYS B 302 28.600 40.439 33.466 1.00 50.26 N ATOM 774 CA LYS B 302 29.176 39.460 32.554 1.00 50.07 C ATOM 775 C LYS B 302 30.702 39.429 32.625 1.00 53.50 C ATOM 776 O LYS B 302 31.334 40.423 32.978 1.00 52.39 O ATOM 777 CB LYS B 302 28.694 39.726 31.117 1.00 52.34 C ATOM 778 H LYS B 302 28.385 41.393 33.111 1.00 0.00 H ATOM 779 N SER B 303 31.283 38.270 32.298 1.00 50.68 N ATOM 780 CA SER B 303 32.723 38.065 32.225 1.00 51.01 C ATOM 781 C SER B 303 33.194 38.641 30.885 1.00 54.95 C ATOM 782 O SER B 303 32.386 38.793 29.966 1.00 54.28 O ATOM 783 CB SER B 303 33.047 36.576 32.278 1.00 55.12 C ATOM 784 OG SER B 303 32.501 35.970 33.436 1.00 66.02 O ATOM 785 HG SER B 303 32.728 35.006 33.441 1.00 0.00 H ATOM 786 H SER B 303 30.666 37.461 32.081 1.00 0.00 H ATOM 787 N TYR B 304 34.483 38.979 30.776 1.00 51.55 N ATOM 788 CA TYR B 304 35.054 39.499 29.538 1.00 51.52 C ATOM 789 C TYR B 304 36.421 38.842 29.292 1.00 55.48 C ATOM 790 O TYR B 304 37.205 38.749 30.233 1.00 52.60 O ATOM 791 CB TYR B 304 35.161 41.030 29.569 1.00 52.95 C ATOM 792 CG TYR B 304 35.508 41.631 28.226 1.00 55.92 C ATOM 793 CD1 TYR B 304 36.832 41.813 27.843 1.00 58.06 C ATOM 794 CD2 TYR B 304 34.513 41.994 27.324 1.00 57.21 C ATOM 795 CE1 TYR B 304 37.159 42.320 26.587 1.00 59.42 C ATOM 796 CE2 TYR B 304 34.829 42.531 26.075 1.00 58.49 C ATOM 797 CZ TYR B 304 36.156 42.696 25.712 1.00 67.30 C ATOM 798 OH TYR B 304 36.489 43.224 24.488 1.00 69.81 O ATOM 799 HH TYR B 304 37.475 43.266 24.405 1.00 0.00 H ATOM 800 H TYR B 304 35.102 38.867 31.604 1.00 0.00 H ATOM 801 N PRO B 305 36.747 38.369 28.066 1.00 54.88 N ATOM 802 CA PRO B 305 35.962 38.421 26.819 1.00 55.81 C ATOM 803 C PRO B 305 34.849 37.382 26.670 1.00 62.84 C ATOM 804 O PRO B 305 33.809 37.711 26.103 1.00 63.35 O ATOM 805 CB PRO B 305 37.042 38.327 25.740 1.00 57.29 C ATOM 806 CG PRO B 305 38.099 37.454 26.356 1.00 61.41 C ATOM 807 CD PRO B 305 38.067 37.740 27.841 1.00 56.66 C ATOM 808 N ASN B 306 35.053 36.149 27.167 1.00 61.10 N ATOM 809 CA ASN B 306 34.060 35.080 27.062 1.00 61.67 C ATOM 810 C ASN B 306 32.953 35.219 28.119 1.00 67.89 C ATOM 811 O ASN B 306 33.164 34.890 29.293 1.00 68.24 O ATOM 812 CB ASN B 306 34.725 33.697 27.096 1.00 61.50 C ATOM 813 H ASN B 306 35.954 35.947 27.646 1.00 0.00 H ATOM 814 N GLU B 307 31.772 35.726 27.686 1.00 64.70 N ATOM 815 CA GLU B 307 30.559 35.919 28.498 1.00 64.59 C ATOM 816 C GLU B 307 30.074 34.566 29.046 1.00 67.40 C ATOM 817 O GLU B 307 29.586 34.501 30.176 1.00 66.87 O ATOM 818 CB GLU B 307 29.460 36.581 27.642 1.00 66.24 C ATOM 819 CG GLU B 307 28.229 37.043 28.412 1.00 78.70 C ATOM 820 CD GLU B 307 27.012 37.423 27.585 1.00100.88 C ATOM 821 OE1 GLU B 307 27.170 37.726 26.379 1.00 97.22 O ATOM 822 OE2 GLU B 307 25.899 37.452 28.158 1.00 94.98 O ATOM 823 H GLU B 307 31.718 36.005 26.686 1.00 0.00 H ATOM 824 N GLU B 308 30.240 33.496 28.236 1.00 63.40 N ATOM 825 CA GLU B 308 29.895 32.104 28.526 1.00 62.86 C ATOM 826 C GLU B 308 30.617 31.587 29.772 1.00 65.93 C ATOM 827 O GLU B 308 29.992 30.930 30.614 1.00 65.75 O ATOM 828 CB GLU B 308 30.227 31.218 27.314 1.00 64.23 C ATOM 829 H GLU B 308 30.660 33.683 27.303 1.00 0.00 H ATOM 830 N LYS B 309 31.928 31.898 29.893 1.00 61.39 N ATOM 831 CA LYS B 309 32.771 31.493 31.025 1.00 60.32 C ATOM 832 C LYS B 309 32.402 32.238 32.314 1.00 61.01 C ATOM 833 O LYS B 309 31.891 33.362 32.270 1.00 61.06 O ATOM 834 CB LYS B 309 34.264 31.676 30.698 1.00 62.83 C ATOM 835 H LYS B 309 32.367 32.460 29.136 1.00 0.00 H ATOM 836 N ASP B 310 32.658 31.595 33.459 1.00 54.12 N ATOM 837 CA ASP B 310 32.391 32.141 34.789 1.00 52.24 C ATOM 838 C ASP B 310 33.279 33.368 35.084 1.00 49.97 C ATOM 839 O ASP B 310 32.824 34.319 35.727 1.00 49.83 O ATOM 840 CB ASP B 310 32.636 31.039 35.840 1.00 54.45 C ATOM 841 CG ASP B 310 32.574 31.505 37.286 1.00 68.50 C ATOM 842 OD1 ASP B 310 31.445 31.699 37.801 1.00 71.01 O ATOM 843 OD2 ASP B 310 33.651 31.654 37.909 1.00 71.43 O ATOM 844 H ASP B 310 33.074 30.644 33.399 1.00 0.00 H ATOM 845 N ALA B 311 34.522 33.346 34.576 1.00 41.41 N ATOM 846 CA ALA B 311 35.552 34.351 34.830 1.00 38.83 C ATOM 847 C ALA B 311 36.094 35.093 33.621 1.00 38.28 C ATOM 848 O ALA B 311 36.152 34.550 32.524 1.00 37.37 O ATOM 849 CB ALA B 311 36.712 33.677 35.524 1.00 39.33 C ATOM 850 H ALA B 311 34.771 32.551 33.953 1.00 0.00 H ATOM 851 N TRP B 312 36.622 36.294 33.877 1.00 33.61 N ATOM 852 CA TRP B 312 37.323 37.144 32.929 1.00 33.74 C ATOM 853 C TRP B 312 38.683 36.532 32.626 1.00 35.41 C ATOM 854 O TRP B 312 39.158 35.661 33.370 1.00 34.88 O ATOM 855 CB TRP B 312 37.659 38.474 33.613 1.00 33.47 C ATOM 856 CG TRP B 312 36.613 39.528 33.597 1.00 35.55 C ATOM 857 CD1 TRP B 312 35.445 39.526 34.298 1.00 38.47 C ATOM 858 CD2 TRP B 312 36.748 40.840 33.045 1.00 36.01 C ATOM 859 NE1 TRP B 312 34.807 40.731 34.154 1.00 38.01 N ATOM 860 CE2 TRP B 312 35.575 41.553 33.376 1.00 39.87 C ATOM 861 CE3 TRP B 312 37.708 41.460 32.226 1.00 37.73 C ATOM 862 CZ2 TRP B 312 35.349 42.865 32.942 1.00 39.87 C ATOM 863 CZ3 TRP B 312 37.492 42.763 31.809 1.00 39.26 C ATOM 864 CH2 TRP B 312 36.312 43.442 32.143 1.00 40.07 C ATOM 865 HE1 TRP B 312 33.887 40.980 34.570 1.00 0.00 H ATOM 866 H TRP B 312 36.522 36.655 34.847 1.00 0.00 H ATOM 867 N ASP B 313 39.360 37.068 31.597 1.00 30.35 N ATOM 868 CA ASP B 313 40.757 36.734 31.338 1.00 29.01 C ATOM 869 C ASP B 313 41.414 37.567 32.470 1.00 31.33 C ATOM 870 O ASP B 313 41.118 38.753 32.590 1.00 31.22 O ATOM 871 CB ASP B 313 41.178 37.255 29.953 1.00 30.12 C ATOM 872 CG ASP B 313 42.671 37.265 29.771 1.00 38.58 C ATOM 873 OD1 ASP B 313 43.211 36.248 29.323 1.00 41.71 O ATOM 874 OD2 ASP B 313 43.305 38.269 30.145 1.00 40.38 O ATOM 875 H ASP B 313 38.875 37.739 30.968 1.00 0.00 H ATOM 876 N VAL B 314 42.152 36.921 33.376 1.00 28.75 N ATOM 877 CA VAL B 314 42.739 37.587 34.548 1.00 27.73 C ATOM 878 C VAL B 314 43.504 38.901 34.267 1.00 29.18 C ATOM 879 O VAL B 314 43.349 39.881 35.005 1.00 26.76 O ATOM 880 CB VAL B 314 43.491 36.589 35.471 1.00 31.54 C ATOM 881 CG1 VAL B 314 44.813 36.115 34.857 1.00 31.61 C ATOM 882 CG2 VAL B 314 43.701 37.169 36.870 1.00 31.51 C ATOM 883 H VAL B 314 42.319 35.903 33.247 1.00 0.00 H ATOM 884 N LYS B 315 44.322 38.908 33.199 1.00 26.98 N ATOM 885 CA LYS B 315 45.160 40.045 32.814 1.00 27.30 C ATOM 886 C LYS B 315 44.313 41.244 32.427 1.00 29.53 C ATOM 887 O LYS B 315 44.556 42.365 32.881 1.00 28.73 O ATOM 888 CB LYS B 315 46.094 39.623 31.668 1.00 30.52 C ATOM 889 CG LYS B 315 47.424 40.366 31.667 1.00 45.34 C ATOM 890 CD LYS B 315 48.373 39.823 30.610 1.00 56.21 C ATOM 891 CE LYS B 315 48.552 40.793 29.468 1.00 67.60 C ATOM 892 NZ LYS B 315 49.596 40.341 28.512 1.00 75.32 N ATOM 893 HZ1 LYS B 315 50.505 40.253 29.009 1.00 0.00 H ATOM 894 HZ2 LYS B 315 49.325 39.418 28.116 1.00 0.00 H ATOM 895 HZ3 LYS B 315 49.686 41.037 27.744 1.00 0.00 H ATOM 896 H LYS B 315 44.362 38.052 32.610 1.00 0.00 H ATOM 897 N MET B 316 43.303 40.993 31.597 1.00 27.09 N ATOM 898 CA MET B 316 42.350 41.997 31.141 1.00 26.87 C ATOM 899 C MET B 316 41.564 42.537 32.341 1.00 30.73 C ATOM 900 O MET B 316 41.446 43.755 32.479 1.00 29.02 O ATOM 901 CB MET B 316 41.432 41.369 30.103 1.00 29.37 C ATOM 902 CG MET B 316 42.152 41.092 28.805 1.00 32.67 C ATOM 903 SD MET B 316 40.970 40.638 27.541 1.00 36.44 S ATOM 904 CE MET B 316 40.335 42.225 27.183 1.00 32.59 C ATOM 905 H MET B 316 43.187 40.019 31.252 1.00 0.00 H ATOM 906 N LEU B 317 41.141 41.640 33.274 1.00 28.03 N ATOM 907 CA LEU B 317 40.438 42.080 34.486 1.00 28.36 C ATOM 908 C LEU B 317 41.283 43.037 35.354 1.00 31.01 C ATOM 909 O LEU B 317 40.769 44.077 35.783 1.00 30.59 O ATOM 910 CB LEU B 317 39.896 40.877 35.304 1.00 28.79 C ATOM 911 CG LEU B 317 39.241 41.184 36.674 1.00 33.49 C ATOM 912 CD1 LEU B 317 37.972 42.038 36.523 1.00 33.14 C ATOM 913 CD2 LEU B 317 38.929 39.916 37.408 1.00 34.74 C ATOM 914 H LEU B 317 41.319 40.626 33.126 1.00 0.00 H ATOM 915 N LEU B 318 42.571 42.707 35.601 1.00 26.88 N ATOM 916 CA LEU B 318 43.428 43.570 36.401 1.00 25.39 C ATOM 917 C LEU B 318 43.641 44.921 35.711 1.00 27.71 C ATOM 918 O LEU B 318 43.615 45.949 36.383 1.00 27.01 O ATOM 919 CB LEU B 318 44.774 42.906 36.742 1.00 25.32 C ATOM 920 CG LEU B 318 45.670 43.691 37.690 1.00 28.71 C ATOM 921 CD1 LEU B 318 44.960 44.009 39.013 1.00 28.82 C ATOM 922 CD2 LEU B 318 46.973 42.987 37.891 1.00 28.88 C ATOM 923 H LEU B 318 42.956 41.822 35.213 1.00 0.00 H ATOM 924 N GLU B 319 43.819 44.922 34.377 1.00 26.68 N ATOM 925 CA GLU B 319 43.979 46.198 33.669 1.00 27.27 C ATOM 926 C GLU B 319 42.670 47.005 33.777 1.00 32.55 C ATOM 927 O GLU B 319 42.724 48.215 34.020 1.00 32.70 O ATOM 928 CB GLU B 319 44.394 45.975 32.203 1.00 28.68 C ATOM 929 CG GLU B 319 44.499 47.274 31.418 1.00 35.45 C ATOM 930 CD GLU B 319 45.311 47.233 30.144 1.00 38.05 C ATOM 931 OE1 GLU B 319 45.815 46.142 29.796 1.00 25.86 O ATOM 932 OE2 GLU B 319 45.472 48.304 29.512 1.00 31.43 O ATOM 933 H GLU B 319 43.843 44.025 33.851 1.00 0.00 H ATOM 934 N GLN B 320 41.504 46.313 33.628 1.00 28.73 N ATOM 935 CA GLN B 320 40.181 46.946 33.731 1.00 29.13 C ATOM 936 C GLN B 320 39.971 47.555 35.109 1.00 33.00 C ATOM 937 O GLN B 320 39.533 48.699 35.206 1.00 33.36 O ATOM 938 CB GLN B 320 39.047 45.960 33.392 1.00 30.12 C ATOM 939 CG GLN B 320 37.683 46.653 33.196 1.00 37.51 C ATOM 940 CD GLN B 320 37.715 47.658 32.064 1.00 48.25 C ATOM 941 OE1 GLN B 320 38.108 47.349 30.931 1.00 39.03 O ATOM 942 NE2 GLN B 320 37.367 48.899 32.364 1.00 33.66 N ATOM 943 HE22 GLN B 320 37.041 49.130 33.324 1.00 0.00 H ATOM 944 HE21 GLN B 320 37.420 49.643 31.640 1.00 0.00 H ATOM 945 H GLN B 320 41.553 45.293 33.433 1.00 0.00 H ATOM 946 N PHE B 321 40.326 46.806 36.172 1.00 27.82 N ATOM 947 CA PHE B 321 40.217 47.283 37.544 1.00 26.59 C ATOM 948 C PHE B 321 41.075 48.529 37.762 1.00 31.31 C ATOM 949 O PHE B 321 40.586 49.501 38.322 1.00 31.00 O ATOM 950 CB PHE B 321 40.564 46.150 38.547 1.00 27.22 C ATOM 951 CG PHE B 321 40.680 46.610 39.977 1.00 27.48 C ATOM 952 CD1 PHE B 321 39.578 47.130 40.650 1.00 29.63 C ATOM 953 CD2 PHE B 321 41.893 46.531 40.655 1.00 27.60 C ATOM 954 CE1 PHE B 321 39.699 47.608 41.958 1.00 29.41 C ATOM 955 CE2 PHE B 321 42.003 46.979 41.977 1.00 30.02 C ATOM 956 CZ PHE B 321 40.903 47.515 42.619 1.00 28.09 C ATOM 957 H PHE B 321 40.693 45.847 36.006 1.00 0.00 H ATOM 958 N SER B 322 42.341 48.503 37.295 1.00 28.01 N ATOM 959 CA SER B 322 43.307 49.595 37.388 1.00 26.75 C ATOM 960 C SER B 322 42.770 50.848 36.682 1.00 31.91 C ATOM 961 O SER B 322 42.931 51.951 37.209 1.00 32.19 O ATOM 962 CB SER B 322 44.647 49.168 36.797 1.00 29.13 C ATOM 963 OG SER B 322 45.235 48.130 37.571 1.00 30.98 O ATOM 964 HG SER B 322 45.382 48.452 38.495 1.00 0.00 H ATOM 965 H SER B 322 42.657 47.629 36.828 1.00 0.00 H ATOM 966 N PHE B 323 42.105 50.665 35.523 1.00 30.17 N ATOM 967 CA PHE B 323 41.494 51.760 34.754 1.00 30.47 C ATOM 968 C PHE B 323 40.368 52.436 35.574 1.00 35.27 C ATOM 969 O PHE B 323 40.474 53.622 35.901 1.00 33.70 O ATOM 970 CB PHE B 323 40.981 51.252 33.392 1.00 33.30 C ATOM 971 CG PHE B 323 40.170 52.266 32.610 1.00 36.36 C ATOM 972 CD1 PHE B 323 40.794 53.310 31.932 1.00 40.27 C ATOM 973 CD2 PHE B 323 38.779 52.198 32.584 1.00 40.04 C ATOM 974 CE1 PHE B 323 40.043 54.259 31.228 1.00 41.62 C ATOM 975 CE2 PHE B 323 38.027 53.144 31.878 1.00 43.04 C ATOM 976 CZ PHE B 323 38.664 54.172 31.206 1.00 41.25 C ATOM 977 H PHE B 323 42.020 49.697 35.153 1.00 0.00 H ATOM 978 N ASP B 324 39.347 51.654 35.967 1.00 33.23 N ATOM 979 CA ASP B 324 38.185 52.135 36.735 1.00 33.20 C ATOM 980 C ASP B 324 38.500 52.744 38.098 1.00 39.16 C ATOM 981 O ASP B 324 37.868 53.732 38.476 1.00 40.33 O ATOM 982 CB ASP B 324 37.134 51.027 36.850 1.00 34.43 C ATOM 983 CG ASP B 324 36.560 50.601 35.514 1.00 40.97 C ATOM 984 OD1 ASP B 324 36.254 51.489 34.688 1.00 42.86 O ATOM 985 OD2 ASP B 324 36.381 49.385 35.308 1.00 41.22 O ATOM 986 H ASP B 324 39.380 50.646 35.713 1.00 0.00 H ATOM 987 N ILE B 325 39.481 52.175 38.830 1.00 34.79 N ATOM 988 CA ILE B 325 39.862 52.631 40.169 1.00 34.35 C ATOM 989 C ILE B 325 40.955 53.692 40.178 1.00 38.24 C ATOM 990 O ILE B 325 41.380 54.128 41.254 1.00 38.18 O ATOM 991 CB ILE B 325 40.174 51.385 41.069 1.00 37.38 C ATOM 992 CG1 ILE B 325 39.604 51.542 42.484 1.00 38.65 C ATOM 993 CG2 ILE B 325 41.660 50.964 41.059 1.00 37.12 C ATOM 994 CD1 ILE B 325 38.028 51.371 42.583 1.00 48.04 C ATOM 995 H ILE B 325 39.995 51.369 38.421 1.00 0.00 H ATOM 996 N ALA B 326 41.406 54.126 38.984 1.00 35.22 N ATOM 997 CA ALA B 326 42.510 55.082 38.853 1.00 35.07 C ATOM 998 C ALA B 326 42.498 56.278 39.806 1.00 38.70 C ATOM 999 O ALA B 326 43.493 56.485 40.500 1.00 36.92 O ATOM 1000 CB ALA B 326 42.695 55.510 37.405 1.00 36.09 C ATOM 1001 H ALA B 326 40.952 53.768 38.120 1.00 0.00 H ATOM 1002 N GLU B 327 41.361 57.017 39.895 1.00 37.75 N ATOM 1003 CA GLU B 327 41.224 58.186 40.775 1.00 37.97 C ATOM 1004 C GLU B 327 41.496 57.821 42.232 1.00 39.53 C ATOM 1005 O GLU B 327 42.306 58.483 42.879 1.00 40.43 O ATOM 1006 CB GLU B 327 39.852 58.856 40.597 1.00 39.86 C ATOM 1007 H GLU B 327 40.546 56.741 39.311 1.00 0.00 H ATOM 1008 N GLU B 328 40.914 56.706 42.704 1.00 34.80 N ATOM 1009 CA GLU B 328 41.125 56.187 44.055 1.00 33.73 C ATOM 1010 C GLU B 328 42.562 55.655 44.246 1.00 36.65 C ATOM 1011 O GLU B 328 43.224 56.047 45.210 1.00 36.19 O ATOM 1012 CB GLU B 328 40.065 55.129 44.416 1.00 35.36 C ATOM 1013 CG GLU B 328 38.625 55.588 44.204 1.00 49.62 C ATOM 1014 CD GLU B 328 37.669 55.350 45.357 1.00 77.50 C ATOM 1015 OE1 GLU B 328 37.906 55.910 46.452 1.00 83.13 O ATOM 1016 OE2 GLU B 328 36.652 54.646 45.152 1.00 71.37 O ATOM 1017 H GLU B 328 40.276 56.181 42.072 1.00 0.00 H ATOM 1018 N ALA B 329 43.071 54.834 43.287 1.00 32.68 N ATOM 1019 CA ALA B 329 44.432 54.256 43.315 1.00 31.24 C ATOM 1020 C ALA B 329 45.537 55.311 43.436 1.00 34.35 C ATOM 1021 O ALA B 329 46.547 55.065 44.091 1.00 32.82 O ATOM 1022 CB ALA B 329 44.660 53.393 42.088 1.00 31.68 C ATOM 1023 H ALA B 329 42.461 54.597 42.479 1.00 0.00 H ATOM 1024 N SER B 330 45.331 56.504 42.840 1.00 32.55 N ATOM 1025 CA SER B 330 46.301 57.604 42.911 1.00 32.49 C ATOM 1026 C SER B 330 46.549 58.096 44.332 1.00 36.09 C ATOM 1027 O SER B 330 47.573 58.734 44.582 1.00 36.98 O ATOM 1028 CB SER B 330 45.842 58.780 42.054 1.00 36.93 C ATOM 1029 OG SER B 330 44.650 59.370 42.551 1.00 48.11 O ATOM 1030 HG SER B 330 43.927 58.694 42.560 1.00 0.00 H ATOM 1031 H SER B 330 44.449 56.650 42.309 1.00 0.00 H ATOM 1032 N LYS B 331 45.595 57.855 45.243 1.00 32.11 N ATOM 1033 CA LYS B 331 45.655 58.341 46.618 1.00 32.29 C ATOM 1034 C LYS B 331 46.112 57.283 47.635 1.00 36.88 C ATOM 1035 O LYS B 331 46.270 57.627 48.811 1.00 36.02 O ATOM 1036 CB LYS B 331 44.287 58.914 47.044 1.00 34.20 C ATOM 1037 CG LYS B 331 43.773 60.085 46.212 1.00 43.61 C ATOM 1038 CD LYS B 331 42.285 60.315 46.467 1.00 53.98 C ATOM 1039 CE LYS B 331 41.733 61.457 45.653 1.00 66.80 C ATOM 1040 H LYS B 331 44.769 57.292 44.955 1.00 0.00 H ATOM 1041 N VAL B 332 46.326 56.006 47.203 1.00 32.55 N ATOM 1042 CA VAL B 332 46.739 54.903 48.104 1.00 31.20 C ATOM 1043 C VAL B 332 48.019 54.212 47.670 1.00 33.17 C ATOM 1044 O VAL B 332 48.284 54.142 46.472 1.00 32.85 O ATOM 1045 CB VAL B 332 45.632 53.828 48.338 1.00 35.05 C ATOM 1046 CG1 VAL B 332 44.547 54.318 49.282 1.00 35.17 C ATOM 1047 CG2 VAL B 332 45.049 53.285 47.028 1.00 34.27 C ATOM 1048 H VAL B 332 46.193 55.796 46.193 1.00 0.00 H ATOM 1049 N CYS B 333 48.754 53.604 48.633 1.00 27.95 N ATOM 1050 CA CYS B 333 49.970 52.822 48.380 1.00 26.55 C ATOM 1051 C CYS B 333 49.631 51.679 47.412 1.00 28.86 C ATOM 1052 O CYS B 333 50.315 51.520 46.399 1.00 27.80 O ATOM 1053 CB CYS B 333 50.549 52.300 49.696 1.00 25.86 C ATOM 1054 SG CYS B 333 51.917 51.131 49.511 1.00 28.39 S ATOM 1055 H CYS B 333 48.435 53.698 49.618 1.00 0.00 H ATOM 1056 N LEU B 334 48.524 50.947 47.689 1.00 25.19 N ATOM 1057 CA LEU B 334 48.026 49.857 46.858 1.00 23.53 C ATOM 1058 C LEU B 334 46.529 49.766 46.865 1.00 26.40 C ATOM 1059 O LEU B 334 45.898 50.052 47.874 1.00 27.41 O ATOM 1060 CB LEU B 334 48.564 48.500 47.353 1.00 22.86 C ATOM 1061 CG LEU B 334 50.028 48.153 47.061 1.00 25.65 C ATOM 1062 CD1 LEU B 334 50.423 46.870 47.794 1.00 23.99 C ATOM 1063 CD2 LEU B 334 50.276 48.012 45.567 1.00 25.66 C ATOM 1064 H LEU B 334 47.994 51.179 48.553 1.00 0.00 H ATOM 1065 N ALA B 335 45.971 49.271 45.765 1.00 23.45 N ATOM 1066 CA ALA B 335 44.556 48.943 45.619 1.00 23.71 C ATOM 1067 C ALA B 335 44.480 47.445 45.355 1.00 26.05 C ATOM 1068 O ALA B 335 45.253 46.930 44.539 1.00 24.23 O ATOM 1069 CB ALA B 335 43.929 49.714 44.480 1.00 24.66 C ATOM 1070 H ALA B 335 46.590 49.105 44.946 1.00 0.00 H ATOM 1071 N HIS B 336 43.579 46.735 46.062 1.00 21.28 N ATOM 1072 CA HIS B 336 43.448 45.303 45.893 1.00 20.96 C ATOM 1073 C HIS B 336 42.021 44.895 45.641 1.00 26.24 C ATOM 1074 O HIS B 336 41.118 45.295 46.382 1.00 26.37 O ATOM 1075 CB HIS B 336 44.080 44.517 47.066 1.00 21.08 C ATOM 1076 CG HIS B 336 44.445 43.121 46.678 1.00 23.31 C ATOM 1077 ND1 HIS B 336 45.672 42.831 46.103 1.00 23.82 N ATOM 1078 CD2 HIS B 336 43.702 41.990 46.712 1.00 23.79 C ATOM 1079 CE1 HIS B 336 45.650 41.530 45.844 1.00 23.36 C ATOM 1080 NE2 HIS B 336 44.494 40.979 46.204 1.00 23.25 N ATOM 1081 H HIS B 336 42.965 47.226 46.743 1.00 0.00 H ATOM 1082 N LEU B 337 41.806 44.154 44.559 1.00 23.29 N ATOM 1083 CA LEU B 337 40.473 43.676 44.220 1.00 24.48 C ATOM 1084 C LEU B 337 40.235 42.247 44.735 1.00 30.03 C ATOM 1085 O LEU B 337 41.017 41.348 44.454 1.00 28.36 O ATOM 1086 CB LEU B 337 40.204 43.787 42.706 1.00 24.61 C ATOM 1087 CG LEU B 337 38.930 43.108 42.165 1.00 28.74 C ATOM 1088 CD1 LEU B 337 37.671 43.836 42.627 1.00 27.15 C ATOM 1089 CD2 LEU B 337 38.962 42.987 40.650 1.00 29.06 C ATOM 1090 H LEU B 337 42.607 43.910 43.941 1.00 0.00 H ATOM 1091 N PHE B 338 39.127 42.040 45.468 1.00 26.63 N ATOM 1092 CA PHE B 338 38.714 40.713 45.924 1.00 24.44 C ATOM 1093 C PHE B 338 37.488 40.339 45.125 1.00 29.07 C ATOM 1094 O PHE B 338 36.499 41.081 45.120 1.00 29.31 O ATOM 1095 CB PHE B 338 38.428 40.676 47.429 1.00 24.75 C ATOM 1096 CG PHE B 338 39.692 40.728 48.242 1.00 24.51 C ATOM 1097 CD1 PHE B 338 40.230 41.945 48.641 1.00 24.83 C ATOM 1098 CD2 PHE B 338 40.376 39.561 48.569 1.00 24.29 C ATOM 1099 CE1 PHE B 338 41.410 41.996 49.385 1.00 25.44 C ATOM 1100 CE2 PHE B 338 41.550 39.615 49.325 1.00 26.06 C ATOM 1101 CZ PHE B 338 42.067 40.830 49.711 1.00 24.76 C ATOM 1102 H PHE B 338 38.538 42.859 45.722 1.00 0.00 H ATOM 1103 N THR B 339 37.578 39.217 44.415 1.00 27.21 N ATOM 1104 CA THR B 339 36.515 38.714 43.558 1.00 28.29 C ATOM 1105 C THR B 339 36.262 37.224 43.834 1.00 33.55 C ATOM 1106 O THR B 339 36.940 36.631 44.676 1.00 30.55 O ATOM 1107 CB THR B 339 36.881 39.018 42.081 1.00 35.17 C ATOM 1108 OG1 THR B 339 35.735 38.795 41.253 1.00 36.92 O ATOM 1109 CG2 THR B 339 38.086 38.204 41.575 1.00 30.51 C ATOM 1110 HG1 THR B 339 35.000 39.391 41.542 1.00 0.00 H ATOM 1111 H THR B 339 38.459 38.668 44.476 1.00 0.00 H ATOM 1112 N TYR B 340 35.269 36.643 43.142 1.00 32.79 N ATOM 1113 CA TYR B 340 34.900 35.231 43.214 1.00 32.36 C ATOM 1114 C TYR B 340 34.701 34.764 41.773 1.00 37.87 C ATOM 1115 O TYR B 340 33.573 34.749 41.274 1.00 37.50 O ATOM 1116 CB TYR B 340 33.631 35.016 44.075 1.00 33.81 C ATOM 1117 CG TYR B 340 33.403 33.566 44.442 1.00 34.80 C ATOM 1118 CD1 TYR B 340 34.153 32.951 45.441 1.00 36.31 C ATOM 1119 CD2 TYR B 340 32.459 32.794 43.767 1.00 35.66 C ATOM 1120 CE1 TYR B 340 33.973 31.604 45.760 1.00 36.02 C ATOM 1121 CE2 TYR B 340 32.245 31.453 44.102 1.00 36.04 C ATOM 1122 CZ TYR B 340 33.003 30.864 45.099 1.00 42.18 C ATOM 1123 OH TYR B 340 32.822 29.537 45.406 1.00 38.37 O ATOM 1124 HH TYR B 340 33.440 29.281 46.136 1.00 0.00 H ATOM 1125 H TYR B 340 34.717 37.248 42.502 1.00 0.00 H ATOM 1126 N GLN B 341 35.825 34.463 41.078 1.00 34.35 N ATOM 1127 CA GLN B 341 35.847 34.028 39.674 1.00 34.42 C ATOM 1128 C GLN B 341 36.766 32.844 39.494 1.00 36.93 C ATOM 1129 O GLN B 341 37.875 32.856 40.018 1.00 36.27 O ATOM 1130 CB GLN B 341 36.343 35.169 38.767 1.00 35.90 C ATOM 1131 CG GLN B 341 35.349 36.294 38.597 1.00 40.59 C ATOM 1132 CD GLN B 341 35.922 37.454 37.844 1.00 40.42 C ATOM 1133 OE1 GLN B 341 36.359 37.337 36.691 1.00 38.38 O ATOM 1134 NE2 GLN B 341 35.876 38.609 38.459 1.00 28.11 N ATOM 1135 HE22 GLN B 341 35.502 38.668 39.428 1.00 0.00 H ATOM 1136 HE21 GLN B 341 36.213 39.468 37.979 1.00 0.00 H ATOM 1137 H GLN B 341 36.736 34.546 41.573 1.00 0.00 H ATOM 1138 N ASP B 342 36.347 31.853 38.701 1.00 33.16 N ATOM 1139 CA ASP B 342 37.157 30.662 38.442 1.00 33.14 C ATOM 1140 C ASP B 342 37.998 30.871 37.188 1.00 38.81 C ATOM 1141 O ASP B 342 37.552 30.540 36.080 1.00 40.08 O ATOM 1142 CB ASP B 342 36.261 29.420 38.326 1.00 33.99 C ATOM 1143 CG ASP B 342 36.948 28.085 38.497 1.00 38.22 C ATOM 1144 OD1 ASP B 342 38.196 28.055 38.539 1.00 36.59 O ATOM 1145 OD2 ASP B 342 36.239 27.064 38.566 1.00 44.67 O ATOM 1146 H ASP B 342 35.412 31.931 38.252 1.00 0.00 H ATOM 1147 N PHE B 343 39.205 31.459 37.356 1.00 32.45 N ATOM 1148 CA PHE B 343 40.096 31.725 36.231 1.00 30.95 C ATOM 1149 C PHE B 343 40.658 30.414 35.699 1.00 38.24 C ATOM 1150 O PHE B 343 40.842 29.457 36.460 1.00 36.17 O ATOM 1151 CB PHE B 343 41.240 32.691 36.624 1.00 30.99 C ATOM 1152 CG PHE B 343 40.823 34.021 37.205 1.00 30.30 C ATOM 1153 CD1 PHE B 343 40.053 34.914 36.466 1.00 30.77 C ATOM 1154 CD2 PHE B 343 41.254 34.411 38.469 1.00 31.99 C ATOM 1155 CE1 PHE B 343 39.660 36.139 37.005 1.00 31.96 C ATOM 1156 CE2 PHE B 343 40.884 35.653 39.002 1.00 34.37 C ATOM 1157 CZ PHE B 343 40.092 36.514 38.268 1.00 32.69 C ATOM 1158 H PHE B 343 39.506 31.729 38.314 1.00 0.00 H ATOM 1159 N ASP B 344 40.936 30.363 34.388 1.00 37.27 N ATOM 1160 CA ASP B 344 41.502 29.172 33.747 1.00 38.13 C ATOM 1161 C ASP B 344 42.881 28.838 34.303 1.00 42.27 C ATOM 1162 O ASP B 344 43.562 29.708 34.868 1.00 41.00 O ATOM 1163 CB ASP B 344 41.618 29.383 32.221 1.00 41.03 C ATOM 1164 CG ASP B 344 40.308 29.687 31.522 1.00 57.35 C ATOM 1165 OD1 ASP B 344 39.351 28.897 31.682 1.00 57.99 O ATOM 1166 OD2 ASP B 344 40.247 30.701 30.795 1.00 67.90 O ATOM 1167 H ASP B 344 40.743 31.201 33.803 1.00 0.00 H ATOM 1168 N MET B 345 43.286 27.571 34.122 1.00 39.72 N ATOM 1169 CA MET B 345 44.596 27.009 34.499 1.00 40.08 C ATOM 1170 C MET B 345 44.979 27.146 35.985 1.00 40.22 C ATOM 1171 O MET B 345 46.166 27.160 36.320 1.00 38.91 O ATOM 1172 CB MET B 345 45.715 27.534 33.572 1.00 43.24 C ATOM 1173 CG MET B 345 45.450 27.312 32.084 1.00 48.45 C ATOM 1174 SD MET B 345 46.875 27.731 31.038 1.00 53.85 S ATOM 1175 CE MET B 345 46.913 29.517 31.201 1.00 50.26 C ATOM 1176 H MET B 345 42.609 26.922 33.672 1.00 0.00 H ATOM 1177 N GLY B 346 43.974 27.221 36.851 1.00 35.96 N ATOM 1178 CA GLY B 346 44.174 27.335 38.292 1.00 35.50 C ATOM 1179 C GLY B 346 44.824 28.618 38.783 1.00 36.09 C ATOM 1180 O GLY B 346 45.439 28.624 39.853 1.00 36.14 O ATOM 1181 H GLY B 346 43.001 27.197 36.485 1.00 0.00 H ATOM 1182 N THR B 347 44.683 29.716 38.020 1.00 29.25 N ATOM 1183 CA THR B 347 45.181 31.043 38.404 1.00 27.60 C ATOM 1184 C THR B 347 44.276 31.538 39.538 1.00 27.22 C ATOM 1185 O THR B 347 43.058 31.382 39.457 1.00 24.02 O ATOM 1186 CB THR B 347 45.139 31.980 37.184 1.00 31.54 C ATOM 1187 OG1 THR B 347 46.040 31.476 36.193 1.00 31.93 O ATOM 1188 CG2 THR B 347 45.498 33.428 37.525 1.00 30.88 C ATOM 1189 HG1 THR B 347 46.023 32.070 35.401 1.00 0.00 H ATOM 1190 H THR B 347 44.194 29.620 37.107 1.00 0.00 H ATOM 1191 N LEU B 348 44.874 32.109 40.603 1.00 23.85 N ATOM 1192 CA LEU B 348 44.122 32.592 41.755 1.00 23.91 C ATOM 1193 C LEU B 348 44.207 34.101 41.946 1.00 24.73 C ATOM 1194 O LEU B 348 43.382 34.692 42.656 1.00 23.41 O ATOM 1195 CB LEU B 348 44.547 31.842 43.034 1.00 23.96 C ATOM 1196 CG LEU B 348 44.156 30.364 43.101 1.00 28.83 C ATOM 1197 CD1 LEU B 348 45.057 29.616 44.044 1.00 30.45 C ATOM 1198 CD2 LEU B 348 42.696 30.195 43.518 1.00 30.16 C ATOM 1199 H LEU B 348 45.909 32.209 40.603 1.00 0.00 H ATOM 1200 N GLY B 349 45.176 34.724 41.286 1.00 20.31 N ATOM 1201 CA GLY B 349 45.326 36.161 41.366 1.00 19.93 C ATOM 1202 C GLY B 349 46.319 36.715 40.379 1.00 22.20 C ATOM 1203 O GLY B 349 46.909 35.970 39.592 1.00 23.12 O ATOM 1204 H GLY B 349 45.837 34.171 40.703 1.00 0.00 H ATOM 1205 N LEU B 350 46.521 38.025 40.435 1.00 19.24 N ATOM 1206 CA LEU B 350 47.449 38.739 39.542 1.00 19.76 C ATOM 1207 C LEU B 350 47.775 40.069 40.174 1.00 24.38 C ATOM 1208 O LEU B 350 46.932 40.634 40.882 1.00 24.56 O ATOM 1209 CB LEU B 350 46.830 38.937 38.138 1.00 20.21 C ATOM 1210 CG LEU B 350 47.827 39.382 37.039 1.00 26.07 C ATOM 1211 CD1 LEU B 350 48.784 38.281 36.678 1.00 25.11 C ATOM 1212 CD2 LEU B 350 47.097 39.808 35.791 1.00 27.37 C ATOM 1213 H LEU B 350 45.998 38.575 41.145 1.00 0.00 H ATOM 1214 N ALA B 351 49.000 40.565 39.955 1.00 21.41 N ATOM 1215 CA ALA B 351 49.470 41.835 40.516 1.00 21.15 C ATOM 1216 C ALA B 351 50.626 42.409 39.697 1.00 24.26 C ATOM 1217 O ALA B 351 51.358 41.662 39.054 1.00 24.16 O ATOM 1218 CB ALA B 351 49.896 41.643 41.966 1.00 22.57 C ATOM 1219 H ALA B 351 49.652 40.020 39.355 1.00 0.00 H ATOM 1220 N TYR B 352 50.791 43.728 39.713 1.00 21.48 N ATOM 1221 CA TYR B 352 51.905 44.337 38.984 1.00 21.72 C ATOM 1222 C TYR B 352 53.089 44.492 39.919 1.00 25.26 C ATOM 1223 O TYR B 352 52.911 44.657 41.129 1.00 24.51 O ATOM 1224 CB TYR B 352 51.517 45.717 38.410 1.00 21.54 C ATOM 1225 CG TYR B 352 50.335 45.675 37.473 1.00 22.19 C ATOM 1226 CD1 TYR B 352 50.381 44.936 36.295 1.00 22.54 C ATOM 1227 CD2 TYR B 352 49.162 46.371 37.765 1.00 22.49 C ATOM 1228 CE1 TYR B 352 49.276 44.854 35.451 1.00 23.96 C ATOM 1229 CE2 TYR B 352 48.078 46.364 36.883 1.00 23.14 C ATOM 1230 CZ TYR B 352 48.137 45.596 35.733 1.00 28.07 C ATOM 1231 OH TYR B 352 47.062 45.516 34.894 1.00 27.41 O ATOM 1232 HH TYR B 352 47.284 44.927 34.130 1.00 0.00 H ATOM 1233 H TYR B 352 50.128 44.328 40.244 1.00 0.00 H ATOM 1234 N GLY B 353 54.289 44.547 39.349 1.00 21.48 N ATOM 1235 CA GLY B 353 55.471 44.804 40.154 1.00 21.90 C ATOM 1236 C GLY B 353 56.566 43.770 40.067 1.00 30.75 C ATOM 1237 O GLY B 353 57.684 44.045 40.494 1.00 31.49 O ATOM 1238 H GLY B 353 54.382 44.406 38.323 1.00 0.00 H ATOM 1239 N GLY B 354 56.241 42.592 39.534 1.00 28.79 N ATOM 1240 CA GLY B 354 57.193 41.502 39.372 1.00 30.33 C ATOM 1241 C GLY B 354 57.226 40.883 37.985 1.00 38.84 C ATOM 1242 O GLY B 354 57.778 39.792 37.821 1.00 38.74 O ATOM 1243 H GLY B 354 55.261 42.444 39.219 1.00 0.00 H ATOM 1244 N SER B 355 56.662 41.578 36.966 1.00 38.53 N ATOM 1245 CA SER B 355 56.644 41.122 35.559 1.00 39.68 C ATOM 1246 C SER B 355 57.054 42.261 34.576 1.00 45.56 C ATOM 1247 O SER B 355 56.603 43.395 34.778 1.00 45.45 O ATOM 1248 CB SER B 355 55.279 40.547 35.189 1.00 43.58 C ATOM 1249 OG SER B 355 54.258 41.527 35.285 1.00 56.30 O ATOM 1250 HG SER B 355 54.461 42.275 34.669 1.00 0.00 H ATOM 1251 H SER B 355 56.214 42.490 37.188 1.00 0.00 H ATOM 1252 N PRO B 356 57.914 42.028 33.536 1.00 43.02 N ATOM 1253 CA PRO B 356 58.522 40.750 33.107 1.00 43.01 C ATOM 1254 C PRO B 356 59.744 40.295 33.916 1.00 48.73 C ATOM 1255 O PRO B 356 60.328 39.250 33.615 1.00 49.74 O ATOM 1256 CB PRO B 356 58.804 40.994 31.619 1.00 44.05 C ATOM 1257 CG PRO B 356 59.152 42.454 31.556 1.00 48.29 C ATOM 1258 CD PRO B 356 58.302 43.130 32.625 1.00 44.37 C ATOM 1259 N ARG B 357 60.115 41.076 34.951 1.00 44.59 N ATOM 1260 CA ARG B 357 61.222 40.814 35.885 1.00 43.51 C ATOM 1261 C ARG B 357 60.885 41.427 37.261 1.00 46.11 C ATOM 1262 O ARG B 357 59.907 42.172 37.380 1.00 45.52 O ATOM 1263 CB ARG B 357 62.548 41.402 35.347 1.00 42.30 C ATOM 1264 CG ARG B 357 62.502 42.903 35.027 1.00 50.66 C ATOM 1265 CD ARG B 357 63.814 43.343 34.416 1.00 63.97 C ATOM 1266 NE ARG B 357 63.725 44.619 33.702 1.00 69.16 N ATOM 1267 CZ ARG B 357 64.721 45.146 32.992 1.00 80.33 C ATOM 1268 NH1 ARG B 357 65.882 44.509 32.889 1.00 68.07 N ATOM 1269 NH2 ARG B 357 64.561 46.311 32.376 1.00 61.62 N ATOM 1270 HE ARG B 357 62.830 45.145 33.753 1.00 0.00 H ATOM 1271 HH12 ARG B 357 66.656 44.925 32.333 1.00 0.00 H ATOM 1272 HH11 ARG B 357 66.017 43.594 33.364 1.00 0.00 H ATOM 1273 HH22 ARG B 357 65.342 46.718 31.823 1.00 0.00 H ATOM 1274 HH21 ARG B 357 63.655 46.816 32.447 1.00 0.00 H ATOM 1275 H ARG B 357 59.567 41.946 35.104 1.00 0.00 H ATOM 1276 N ALA B 358 61.710 41.145 38.276 1.00 40.83 N ATOM 1277 CA ALA B 358 61.558 41.699 39.619 1.00 40.02 C ATOM 1278 C ALA B 358 61.734 43.223 39.572 1.00 43.85 C ATOM 1279 O ALA B 358 62.522 43.733 38.754 1.00 42.70 O ATOM 1280 CB ALA B 358 62.594 41.087 40.554 1.00 40.35 C ATOM 1281 H ALA B 358 62.503 40.496 38.099 1.00 0.00 H ATOM 1282 N ASN B 359 60.995 43.946 40.443 1.00 39.76 N ATOM 1283 CA ASN B 359 61.060 45.416 40.555 1.00 40.08 C ATOM 1284 C ASN B 359 60.780 46.115 39.213 1.00 44.37 C ATOM 1285 O ASN B 359 61.515 47.029 38.816 1.00 43.64 O ATOM 1286 CB ASN B 359 62.401 45.883 41.177 1.00 41.80 C ATOM 1287 CG ASN B 359 62.821 45.103 42.398 1.00 56.81 C ATOM 1288 OD1 ASN B 359 63.559 44.112 42.312 1.00 46.21 O ATOM 1289 ND2 ASN B 359 62.373 45.546 43.559 1.00 44.67 N ATOM 1290 HD22 ASN B 359 61.755 46.382 43.593 1.00 0.00 H ATOM 1291 HD21 ASN B 359 62.639 45.059 44.439 1.00 0.00 H ATOM 1292 H ASN B 359 60.342 43.436 41.071 1.00 0.00 H ATOM 1293 N SER B 360 59.735 45.652 38.496 1.00 40.86 N ATOM 1294 CA SER B 360 59.351 46.239 37.207 1.00 40.90 C ATOM 1295 C SER B 360 58.233 47.277 37.414 1.00 43.67 C ATOM 1296 O SER B 360 57.959 47.642 38.564 1.00 44.16 O ATOM 1297 CB SER B 360 58.938 45.153 36.221 1.00 45.71 C ATOM 1298 OG SER B 360 57.998 44.277 36.825 1.00 58.75 O ATOM 1299 HG SER B 360 57.737 43.576 36.176 1.00 0.00 H ATOM 1300 H SER B 360 59.184 44.853 38.869 1.00 0.00 H ATOM 1301 N HIS B 361 57.611 47.772 36.310 1.00 38.45 N ATOM 1302 CA HIS B 361 56.530 48.769 36.344 1.00 37.62 C ATOM 1303 C HIS B 361 55.443 48.377 37.323 1.00 38.46 C ATOM 1304 O HIS B 361 54.966 47.243 37.304 1.00 36.70 O ATOM 1305 CB HIS B 361 55.876 48.943 34.958 1.00 38.75 C ATOM 1306 CG HIS B 361 56.837 49.167 33.841 1.00 42.50 C ATOM 1307 ND1 HIS B 361 57.286 50.439 33.517 1.00 44.42 N ATOM 1308 CD2 HIS B 361 57.396 48.273 32.992 1.00 43.96 C ATOM 1309 CE1 HIS B 361 58.106 50.276 32.490 1.00 43.72 C ATOM 1310 NE2 HIS B 361 58.206 48.989 32.139 1.00 43.85 N ATOM 1311 H HIS B 361 57.920 47.422 35.381 1.00 0.00 H ATOM 1312 N GLY B 362 55.054 49.318 38.164 1.00 33.79 N ATOM 1313 CA GLY B 362 53.965 49.069 39.094 1.00 32.57 C ATOM 1314 C GLY B 362 54.343 48.595 40.476 1.00 30.46 C ATOM 1315 O GLY B 362 55.490 48.733 40.909 1.00 29.88 O ATOM 1316 H GLY B 362 55.530 50.243 38.161 1.00 0.00 H ATOM 1317 N GLY B 363 53.349 48.074 41.179 1.00 24.01 N ATOM 1318 CA GLY B 363 53.536 47.658 42.560 1.00 23.19 C ATOM 1319 C GLY B 363 53.358 48.852 43.481 1.00 26.18 C ATOM 1320 O GLY B 363 52.712 49.827 43.084 1.00 24.40 O ATOM 1321 H GLY B 363 52.416 47.960 40.735 1.00 0.00 H ATOM 1322 N VAL B 364 53.914 48.788 44.711 1.00 24.71 N ATOM 1323 CA VAL B 364 53.743 49.828 45.739 1.00 24.44 C ATOM 1324 C VAL B 364 54.008 51.256 45.260 1.00 31.55 C ATOM 1325 O VAL B 364 54.917 51.484 44.467 1.00 30.72 O ATOM 1326 CB VAL B 364 54.411 49.510 47.109 1.00 26.80 C ATOM 1327 CG1 VAL B 364 53.886 48.191 47.685 1.00 26.01 C ATOM 1328 CG2 VAL B 364 55.934 49.485 47.002 1.00 25.95 C ATOM 1329 H VAL B 364 54.495 47.958 44.944 1.00 0.00 H ATOM 1330 N CYS B 365 53.186 52.199 45.736 1.00 30.29 N ATOM 1331 CA CYS B 365 53.257 53.647 45.482 1.00 31.00 C ATOM 1332 C CYS B 365 52.742 54.063 44.134 1.00 35.67 C ATOM 1333 O CYS B 365 53.172 53.514 43.115 1.00 34.77 O ATOM 1334 CB CYS B 365 54.636 54.219 45.795 1.00 31.64 C ATOM 1335 SG CYS B 365 55.257 53.747 47.427 1.00 36.14 S ATOM 1336 H CYS B 365 52.414 51.873 46.352 1.00 0.00 H ATOM 1337 N PRO B 366 51.721 54.950 44.108 1.00 32.67 N ATOM 1338 CA PRO B 366 51.143 55.352 42.816 1.00 32.89 C ATOM 1339 C PRO B 366 52.084 56.196 41.958 1.00 36.83 C ATOM 1340 O PRO B 366 52.744 57.124 42.439 1.00 36.39 O ATOM 1341 CB PRO B 366 49.867 56.098 43.213 1.00 34.80 C ATOM 1342 CG PRO B 366 50.152 56.625 44.561 1.00 38.34 C ATOM 1343 CD PRO B 366 51.077 55.660 45.232 1.00 33.92 C ATOM 1344 N LYS B 367 52.178 55.814 40.690 1.00 32.94 N ATOM 1345 CA LYS B 367 52.983 56.465 39.657 1.00 31.84 C ATOM 1346 C LYS B 367 52.126 56.378 38.431 1.00 34.28 C ATOM 1347 O LYS B 367 51.655 55.290 38.092 1.00 33.49 O ATOM 1348 CB LYS B 367 54.330 55.747 39.454 1.00 34.66 C ATOM 1349 CG LYS B 367 55.315 56.527 38.585 1.00 46.73 C ATOM 1350 CD LYS B 367 56.507 55.683 38.158 1.00 53.54 C ATOM 1351 H LYS B 367 51.630 54.977 40.406 1.00 0.00 H ATOM 1352 N ALA B 368 51.830 57.526 37.812 1.00 30.14 N ATOM 1353 CA ALA B 368 50.936 57.517 36.662 1.00 30.30 C ATOM 1354 C ALA B 368 51.606 56.938 35.426 1.00 31.29 C ATOM 1355 O ALA B 368 52.811 57.117 35.240 1.00 29.91 O ATOM 1356 CB ALA B 368 50.418 58.927 36.378 1.00 31.13 C ATOM 1357 H ALA B 368 52.236 58.421 38.150 1.00 0.00 H ATOM 1358 N TYR B 369 50.819 56.195 34.634 1.00 28.18 N ATOM 1359 CA TYR B 369 51.153 55.601 33.334 1.00 28.10 C ATOM 1360 C TYR B 369 50.018 55.977 32.430 1.00 33.24 C ATOM 1361 O TYR B 369 48.874 55.605 32.718 1.00 31.03 O ATOM 1362 CB TYR B 369 51.215 54.068 33.406 1.00 28.69 C ATOM 1363 CG TYR B 369 52.376 53.560 34.221 1.00 30.05 C ATOM 1364 CD1 TYR B 369 52.253 53.359 35.589 1.00 31.26 C ATOM 1365 CD2 TYR B 369 53.606 53.284 33.624 1.00 30.32 C ATOM 1366 CE1 TYR B 369 53.332 52.931 36.356 1.00 33.58 C ATOM 1367 CE2 TYR B 369 54.689 52.846 34.378 1.00 31.33 C ATOM 1368 CZ TYR B 369 54.547 52.670 35.746 1.00 37.90 C ATOM 1369 OH TYR B 369 55.601 52.226 36.499 1.00 38.26 O ATOM 1370 HH TYR B 369 55.323 52.159 37.447 1.00 0.00 H ATOM 1371 H TYR B 369 49.855 56.018 34.983 1.00 0.00 H ATOM 1372 N TYR B 370 50.305 56.720 31.343 1.00 32.11 N ATOM 1373 CA TYR B 370 49.233 57.124 30.442 1.00 32.24 C ATOM 1374 C TYR B 370 48.734 55.967 29.618 1.00 35.03 C ATOM 1375 O TYR B 370 49.528 55.291 28.975 1.00 35.63 O ATOM 1376 CB TYR B 370 49.634 58.322 29.551 1.00 34.79 C ATOM 1377 CG TYR B 370 48.465 58.906 28.779 1.00 38.34 C ATOM 1378 CD1 TYR B 370 47.642 59.875 29.348 1.00 40.65 C ATOM 1379 CD2 TYR B 370 48.202 58.516 27.470 1.00 39.48 C ATOM 1380 CE1 TYR B 370 46.586 60.441 28.632 1.00 40.97 C ATOM 1381 CE2 TYR B 370 47.143 59.066 26.748 1.00 40.75 C ATOM 1382 CZ TYR B 370 46.336 60.027 27.334 1.00 50.36 C ATOM 1383 OH TYR B 370 45.291 60.573 26.628 1.00 54.78 O ATOM 1384 HH TYR B 370 44.824 61.238 27.194 1.00 0.00 H ATOM 1385 H TYR B 370 51.286 57.004 31.148 1.00 0.00 H ATOM 1386 N SER B 371 47.422 55.692 29.700 1.00 30.45 N ATOM 1387 CA SER B 371 46.774 54.645 28.919 1.00 30.85 C ATOM 1388 C SER B 371 46.226 55.311 27.640 1.00 39.31 C ATOM 1389 O SER B 371 45.224 56.035 27.699 1.00 38.94 O ATOM 1390 CB SER B 371 45.653 53.971 29.701 1.00 29.85 C ATOM 1391 OG SER B 371 45.042 52.967 28.910 1.00 38.52 O ATOM 1392 HG SER B 371 44.316 52.537 29.428 1.00 0.00 H ATOM 1393 H SER B 371 46.839 56.254 30.353 1.00 0.00 H ATOM 1394 N PRO B 372 46.909 55.130 26.486 1.00 38.71 N ATOM 1395 CA PRO B 372 46.444 55.790 25.252 1.00 39.12 C ATOM 1396 C PRO B 372 45.022 55.424 24.853 1.00 44.88 C ATOM 1397 O PRO B 372 44.278 56.332 24.502 1.00 44.50 O ATOM 1398 CB PRO B 372 47.495 55.397 24.213 1.00 40.77 C ATOM 1399 CG PRO B 372 48.715 55.006 25.022 1.00 44.60 C ATOM 1400 CD PRO B 372 48.135 54.343 26.237 1.00 39.98 C ATOM 1401 N VAL B 373 44.625 54.135 24.980 1.00 43.67 N ATOM 1402 CA VAL B 373 43.255 53.660 24.698 1.00 44.52 C ATOM 1403 C VAL B 373 42.260 54.240 25.737 1.00 49.19 C ATOM 1404 O VAL B 373 41.185 54.712 25.359 1.00 49.90 O ATOM 1405 CB VAL B 373 43.140 52.115 24.517 1.00 49.28 C ATOM 1406 CG1 VAL B 373 43.634 51.352 25.737 1.00 49.27 C ATOM 1407 CG2 VAL B 373 41.718 51.687 24.152 1.00 49.44 C ATOM 1408 H VAL B 373 45.328 53.437 25.296 1.00 0.00 H ATOM 1409 N GLY B 374 42.659 54.250 27.012 1.00 45.04 N ATOM 1410 CA GLY B 374 41.844 54.765 28.110 1.00 44.38 C ATOM 1411 C GLY B 374 41.704 56.275 28.120 1.00 47.99 C ATOM 1412 O GLY B 374 40.817 56.813 28.797 1.00 48.32 O ATOM 1413 H GLY B 374 43.601 53.870 27.235 1.00 0.00 H ATOM 1414 N LYS B 375 42.593 56.968 27.373 1.00 42.76 N ATOM 1415 CA LYS B 375 42.653 58.426 27.222 1.00 41.85 C ATOM 1416 C LYS B 375 42.808 59.136 28.564 1.00 44.13 C ATOM 1417 O LYS B 375 42.254 60.220 28.762 1.00 45.34 O ATOM 1418 CB LYS B 375 41.447 58.962 26.400 1.00 44.30 C ATOM 1419 CG LYS B 375 41.431 58.534 24.928 1.00 52.78 C ATOM 1420 CD LYS B 375 42.288 59.459 24.049 1.00 61.83 C ATOM 1421 CE LYS B 375 42.266 59.087 22.581 1.00 72.23 C ATOM 1422 NZ LYS B 375 43.099 57.889 22.285 1.00 79.77 N ATOM 1423 HZ1 LYS B 375 44.086 58.079 22.553 1.00 0.00 H ATOM 1424 HZ2 LYS B 375 42.741 57.077 22.828 1.00 0.00 H ATOM 1425 HZ3 LYS B 375 43.050 57.677 21.268 1.00 0.00 H ATOM 1426 H LYS B 375 43.304 56.413 26.855 1.00 0.00 H ATOM 1427 N LYS B 376 43.571 58.509 29.493 1.00 37.26 N ATOM 1428 CA LYS B 376 43.815 59.017 30.845 1.00 35.70 C ATOM 1429 C LYS B 376 44.921 58.239 31.544 1.00 37.02 C ATOM 1430 O LYS B 376 45.244 57.113 31.136 1.00 35.18 O ATOM 1431 CB LYS B 376 42.516 58.952 31.697 1.00 37.71 C ATOM 1432 CG LYS B 376 42.079 57.542 32.111 1.00 39.68 C ATOM 1433 CD LYS B 376 41.007 57.591 33.192 1.00 43.70 C ATOM 1434 CE LYS B 376 41.009 56.352 34.045 1.00 49.07 C ATOM 1435 NZ LYS B 376 39.751 56.225 34.835 1.00 62.85 N ATOM 1436 HZ1 LYS B 376 39.649 57.052 35.458 1.00 0.00 H ATOM 1437 HZ2 LYS B 376 38.939 56.176 34.187 1.00 0.00 H ATOM 1438 HZ3 LYS B 376 39.790 55.359 35.410 1.00 0.00 H ATOM 1439 H LYS B 376 44.013 57.606 29.228 1.00 0.00 H ATOM 1440 N ASN B 377 45.467 58.822 32.626 1.00 33.76 N ATOM 1441 CA ASN B 377 46.474 58.174 33.452 1.00 33.68 C ATOM 1442 C ASN B 377 45.836 57.041 34.250 1.00 36.96 C ATOM 1443 O ASN B 377 44.696 57.151 34.722 1.00 35.88 O ATOM 1444 CB ASN B 377 47.103 59.156 34.433 1.00 35.29 C ATOM 1445 CG ASN B 377 48.106 60.096 33.838 1.00 54.70 C ATOM 1446 OD1 ASN B 377 48.889 59.741 32.951 1.00 48.36 O ATOM 1447 ND2 ASN B 377 48.174 61.289 34.402 1.00 49.42 N ATOM 1448 HD22 ASN B 377 47.497 61.552 35.146 1.00 0.00 H ATOM 1449 HD21 ASN B 377 48.905 61.965 34.102 1.00 0.00 H ATOM 1450 H ASN B 377 45.155 59.780 32.884 1.00 0.00 H ATOM 1451 N ILE B 378 46.577 55.941 34.380 1.00 32.11 N ATOM 1452 CA ILE B 378 46.171 54.799 35.204 1.00 31.09 C ATOM 1453 C ILE B 378 47.321 54.546 36.170 1.00 32.38 C ATOM 1454 O ILE B 378 48.382 55.173 36.057 1.00 30.24 O ATOM 1455 CB ILE B 378 45.714 53.545 34.405 1.00 33.81 C ATOM 1456 CG1 ILE B 378 46.839 52.980 33.500 1.00 33.01 C ATOM 1457 CG2 ILE B 378 44.435 53.820 33.607 1.00 33.98 C ATOM 1458 CD1 ILE B 378 47.667 51.935 34.151 1.00 31.82 C ATOM 1459 H ILE B 378 47.484 55.891 33.874 1.00 0.00 H ATOM 1460 N TYR B 379 47.116 53.660 37.144 1.00 29.10 N ATOM 1461 CA TYR B 379 48.168 53.373 38.113 1.00 28.63 C ATOM 1462 C TYR B 379 48.310 51.865 38.187 1.00 27.15 C ATOM 1463 O TYR B 379 47.331 51.148 38.038 1.00 26.00 O ATOM 1464 CB TYR B 379 47.848 54.012 39.482 1.00 31.56 C ATOM 1465 CG TYR B 379 47.674 55.515 39.374 1.00 34.37 C ATOM 1466 CD1 TYR B 379 46.470 56.068 38.938 1.00 36.45 C ATOM 1467 CD2 TYR B 379 48.739 56.378 39.609 1.00 35.68 C ATOM 1468 CE1 TYR B 379 46.340 57.436 38.715 1.00 36.51 C ATOM 1469 CE2 TYR B 379 48.602 57.758 39.445 1.00 36.64 C ATOM 1470 CZ TYR B 379 47.401 58.278 38.990 1.00 42.69 C ATOM 1471 OH TYR B 379 47.256 59.629 38.813 1.00 40.20 O ATOM 1472 HH TYR B 379 46.342 59.822 38.486 1.00 0.00 H ATOM 1473 H TYR B 379 46.201 53.170 37.214 1.00 0.00 H ATOM 1474 N LEU B 380 49.538 51.400 38.342 1.00 24.80 N ATOM 1475 CA LEU B 380 49.856 49.977 38.382 1.00 23.56 C ATOM 1476 C LEU B 380 50.148 49.514 39.822 1.00 25.61 C ATOM 1477 O LEU B 380 50.825 48.504 40.035 1.00 23.94 O ATOM 1478 CB LEU B 380 51.060 49.733 37.443 1.00 23.13 C ATOM 1479 CG LEU B 380 50.851 50.030 35.937 1.00 27.81 C ATOM 1480 CD1 LEU B 380 52.119 49.739 35.153 1.00 28.83 C ATOM 1481 CD2 LEU B 380 49.708 49.220 35.348 1.00 27.24 C ATOM 1482 H LEU B 380 50.316 52.083 38.440 1.00 0.00 H ATOM 1483 N ASN B 381 49.606 50.241 40.818 1.00 22.31 N ATOM 1484 CA ASN B 381 49.781 49.900 42.235 1.00 21.53 C ATOM 1485 C ASN B 381 48.593 49.031 42.620 1.00 27.09 C ATOM 1486 O ASN B 381 47.883 49.330 43.570 1.00 26.70 O ATOM 1487 CB ASN B 381 49.890 51.194 43.090 1.00 18.76 C ATOM 1488 CG ASN B 381 48.688 52.104 43.042 1.00 32.38 C ATOM 1489 OD1 ASN B 381 47.871 52.029 42.137 1.00 26.57 O ATOM 1490 ND2 ASN B 381 48.483 52.885 44.092 1.00 28.27 N ATOM 1491 HD22 ASN B 381 49.193 52.933 44.851 1.00 0.00 H ATOM 1492 HD21 ASN B 381 47.612 53.450 44.158 1.00 0.00 H ATOM 1493 H ASN B 381 49.040 51.078 40.573 1.00 0.00 H ATOM 1494 N SER B 382 48.362 47.956 41.850 1.00 24.76 N ATOM 1495 CA SER B 382 47.171 47.133 42.000 1.00 23.97 C ATOM 1496 C SER B 382 47.403 45.634 41.912 1.00 26.10 C ATOM 1497 O SER B 382 48.431 45.158 41.425 1.00 22.94 O ATOM 1498 CB SER B 382 46.136 47.551 40.964 1.00 27.98 C ATOM 1499 OG SER B 382 46.724 47.517 39.675 1.00 33.97 O ATOM 1500 HG SER B 382 46.053 47.788 39.000 1.00 0.00 H ATOM 1501 H SER B 382 49.059 47.702 41.121 1.00 0.00 H ATOM 1502 N GLY B 383 46.408 44.904 42.370 1.00 22.14 N ATOM 1503 CA GLY B 383 46.444 43.456 42.340 1.00 19.85 C ATOM 1504 C GLY B 383 45.068 42.911 42.629 1.00 24.14 C ATOM 1505 O GLY B 383 44.186 43.656 43.053 1.00 23.49 O ATOM 1506 H GLY B 383 45.572 45.380 42.765 1.00 0.00 H ATOM 1507 N LEU B 384 44.871 41.617 42.369 1.00 21.68 N ATOM 1508 CA LEU B 384 43.589 40.990 42.638 1.00 22.33 C ATOM 1509 C LEU B 384 43.757 39.605 43.195 1.00 25.17 C ATOM 1510 O LEU B 384 44.758 38.951 42.909 1.00 23.95 O ATOM 1511 CB LEU B 384 42.661 40.998 41.407 1.00 23.12 C ATOM 1512 CG LEU B 384 43.056 40.152 40.177 1.00 26.89 C ATOM 1513 CD1 LEU B 384 42.471 38.759 40.251 1.00 26.46 C ATOM 1514 CD2 LEU B 384 42.539 40.781 38.921 1.00 29.85 C ATOM 1515 H LEU B 384 45.646 41.050 41.969 1.00 0.00 H ATOM 1516 N THR B 385 42.748 39.158 43.965 1.00 21.71 N ATOM 1517 CA THR B 385 42.636 37.836 44.585 1.00 20.40 C ATOM 1518 C THR B 385 41.243 37.290 44.267 1.00 24.58 C ATOM 1519 O THR B 385 40.257 37.995 44.455 1.00 25.77 O ATOM 1520 CB THR B 385 42.773 37.984 46.130 1.00 22.71 C ATOM 1521 OG1 THR B 385 44.129 38.274 46.464 1.00 20.65 O ATOM 1522 CG2 THR B 385 42.341 36.734 46.907 1.00 21.72 C ATOM 1523 HG1 THR B 385 44.402 39.119 46.026 1.00 0.00 H ATOM 1524 H THR B 385 41.966 39.821 44.138 1.00 0.00 H ATOM 1525 N SER B 386 41.164 36.030 43.849 1.00 23.78 N ATOM 1526 CA SER B 386 39.899 35.333 43.667 1.00 23.78 C ATOM 1527 C SER B 386 39.853 34.220 44.714 1.00 28.66 C ATOM 1528 O SER B 386 40.860 33.540 44.923 1.00 29.52 O ATOM 1529 CB SER B 386 39.805 34.684 42.295 1.00 26.42 C ATOM 1530 OG SER B 386 38.610 33.915 42.218 1.00 29.49 O ATOM 1531 HG SER B 386 38.548 33.492 41.325 1.00 0.00 H ATOM 1532 H SER B 386 42.046 35.519 43.643 1.00 0.00 H ATOM 1533 N THR B 387 38.665 33.975 45.297 1.00 26.94 N ATOM 1534 CA THR B 387 38.503 32.883 46.272 1.00 26.38 C ATOM 1535 C THR B 387 37.819 31.641 45.695 1.00 31.89 C ATOM 1536 O THR B 387 37.507 30.713 46.440 1.00 32.18 O ATOM 1537 CB THR B 387 37.944 33.370 47.609 1.00 23.54 C ATOM 1538 OG1 THR B 387 36.770 34.132 47.384 1.00 28.06 O ATOM 1539 CG2 THR B 387 38.944 34.198 48.400 1.00 22.05 C ATOM 1540 HG1 THR B 387 36.410 34.446 48.251 1.00 0.00 H ATOM 1541 H THR B 387 37.846 34.568 45.054 1.00 0.00 H ATOM 1542 N LYS B 388 37.662 31.590 44.358 1.00 29.28 N ATOM 1543 CA LYS B 388 37.080 30.468 43.625 1.00 29.01 C ATOM 1544 C LYS B 388 38.146 29.783 42.758 1.00 33.35 C ATOM 1545 O LYS B 388 38.936 30.455 42.079 1.00 33.78 O ATOM 1546 CB LYS B 388 35.911 30.962 42.739 1.00 31.68 C ATOM 1547 CG LYS B 388 35.074 29.826 42.147 1.00 33.68 C ATOM 1548 CD LYS B 388 34.023 30.346 41.181 1.00 40.26 C ATOM 1549 CE LYS B 388 33.096 29.238 40.743 1.00 48.77 C ATOM 1550 NZ LYS B 388 31.904 29.772 40.031 1.00 47.56 N ATOM 1551 HZ1 LYS B 388 31.380 30.409 40.664 1.00 0.00 H ATOM 1552 HZ2 LYS B 388 32.212 30.297 39.187 1.00 0.00 H ATOM 1553 HZ3 LYS B 388 31.290 28.983 39.745 1.00 0.00 H ATOM 1554 H LYS B 388 37.979 32.412 43.805 1.00 0.00 H ATOM 1555 N ASN B 389 38.168 28.455 42.774 1.00 30.18 N ATOM 1556 CA ASN B 389 39.077 27.666 41.959 1.00 31.90 C ATOM 1557 C ASN B 389 38.477 26.294 41.750 1.00 39.12 C ATOM 1558 O ASN B 389 37.979 25.688 42.705 1.00 39.66 O ATOM 1559 CB ASN B 389 40.463 27.551 42.591 1.00 31.05 C ATOM 1560 CG ASN B 389 41.586 27.269 41.618 1.00 42.45 C ATOM 1561 OD1 ASN B 389 41.474 27.458 40.400 1.00 36.43 O ATOM 1562 ND2 ASN B 389 42.716 26.830 42.142 1.00 33.23 N ATOM 1563 HD22 ASN B 389 42.789 26.678 43.168 1.00 0.00 H ATOM 1564 HD21 ASN B 389 43.533 26.636 41.528 1.00 0.00 H ATOM 1565 H ASN B 389 37.503 27.956 43.399 1.00 0.00 H ATOM 1566 N TYR B 390 38.500 25.809 40.497 1.00 36.46 N ATOM 1567 CA TYR B 390 37.951 24.499 40.122 1.00 36.08 C ATOM 1568 C TYR B 390 36.537 24.238 40.676 1.00 39.04 C ATOM 1569 O TYR B 390 36.284 23.196 41.284 1.00 39.81 O ATOM 1570 CB TYR B 390 38.932 23.362 40.469 1.00 37.80 C ATOM 1571 CG TYR B 390 40.299 23.532 39.845 1.00 41.27 C ATOM 1572 CD1 TYR B 390 40.505 23.293 38.489 1.00 43.20 C ATOM 1573 CD2 TYR B 390 41.399 23.894 40.618 1.00 42.62 C ATOM 1574 CE1 TYR B 390 41.768 23.435 37.912 1.00 45.01 C ATOM 1575 CE2 TYR B 390 42.666 24.032 40.054 1.00 43.51 C ATOM 1576 CZ TYR B 390 42.846 23.806 38.699 1.00 51.40 C ATOM 1577 OH TYR B 390 44.097 23.931 38.139 1.00 54.96 O ATOM 1578 HH TYR B 390 44.044 23.736 37.170 1.00 0.00 H ATOM 1579 H TYR B 390 38.930 26.393 39.752 1.00 0.00 H ATOM 1580 N GLY B 391 35.662 25.223 40.510 1.00 35.90 N ATOM 1581 CA GLY B 391 34.257 25.172 40.910 1.00 36.58 C ATOM 1582 C GLY B 391 33.906 25.330 42.380 1.00 41.24 C ATOM 1583 O GLY B 391 32.717 25.371 42.713 1.00 39.62 O ATOM 1584 H GLY B 391 36.002 26.097 40.061 1.00 0.00 H ATOM 1585 N LYS B 392 34.910 25.429 43.279 1.00 37.95 N ATOM 1586 CA LYS B 392 34.618 25.551 44.713 1.00 37.49 C ATOM 1587 C LYS B 392 35.356 26.705 45.397 1.00 39.08 C ATOM 1588 O LYS B 392 36.368 27.174 44.878 1.00 36.84 O ATOM 1589 CB LYS B 392 34.911 24.221 45.423 1.00 39.50 C ATOM 1590 H LYS B 392 35.897 25.419 42.953 1.00 0.00 H ATOM 1591 N THR B 393 34.831 27.170 46.554 1.00 35.41 N ATOM 1592 CA THR B 393 35.458 28.206 47.383 1.00 34.22 C ATOM 1593 C THR B 393 36.769 27.622 47.928 1.00 34.82 C ATOM 1594 O THR B 393 36.787 26.474 48.355 1.00 35.32 O ATOM 1595 CB THR B 393 34.498 28.665 48.499 1.00 40.60 C ATOM 1596 OG1 THR B 393 33.320 29.206 47.909 1.00 39.55 O ATOM 1597 CG2 THR B 393 35.109 29.729 49.413 1.00 36.18 C ATOM 1598 HG1 THR B 393 33.562 29.979 47.340 1.00 0.00 H ATOM 1599 H THR B 393 33.927 26.768 46.876 1.00 0.00 H ATOM 1600 N ILE B 394 37.877 28.381 47.863 1.00 28.24 N ATOM 1601 CA ILE B 394 39.146 27.885 48.386 1.00 26.18 C ATOM 1602 C ILE B 394 39.180 28.037 49.908 1.00 28.48 C ATOM 1603 O ILE B 394 38.421 28.839 50.470 1.00 28.16 O ATOM 1604 CB ILE B 394 40.353 28.575 47.697 1.00 28.98 C ATOM 1605 CG1 ILE B 394 40.383 30.095 47.996 1.00 28.43 C ATOM 1606 CG2 ILE B 394 40.351 28.282 46.171 1.00 28.79 C ATOM 1607 CD1 ILE B 394 41.643 30.843 47.432 1.00 27.70 C ATOM 1608 H ILE B 394 37.829 29.328 47.437 1.00 0.00 H ATOM 1609 N LEU B 395 40.074 27.304 50.565 1.00 24.51 N ATOM 1610 CA LEU B 395 40.196 27.421 52.023 1.00 25.51 C ATOM 1611 C LEU B 395 40.711 28.815 52.396 1.00 29.27 C ATOM 1612 O LEU B 395 41.478 29.420 51.633 1.00 28.88 O ATOM 1613 CB LEU B 395 41.129 26.351 52.573 1.00 25.56 C ATOM 1614 CG LEU B 395 40.628 24.894 52.480 1.00 28.52 C ATOM 1615 CD1 LEU B 395 41.662 23.946 52.985 1.00 29.08 C ATOM 1616 CD2 LEU B 395 39.348 24.686 53.302 1.00 32.24 C ATOM 1617 H LEU B 395 40.688 26.646 50.044 1.00 0.00 H ATOM 1618 N THR B 396 40.246 29.348 53.529 1.00 24.18 N ATOM 1619 CA THR B 396 40.696 30.653 54.015 1.00 24.24 C ATOM 1620 C THR B 396 42.243 30.708 54.087 1.00 25.50 C ATOM 1621 O THR B 396 42.829 31.710 53.663 1.00 24.47 O ATOM 1622 CB THR B 396 40.012 30.956 55.360 1.00 35.76 C ATOM 1623 OG1 THR B 396 38.604 30.867 55.188 1.00 38.16 O ATOM 1624 CG2 THR B 396 40.330 32.316 55.876 1.00 35.13 C ATOM 1625 HG1 THR B 396 38.155 31.061 56.049 1.00 0.00 H ATOM 1626 H THR B 396 39.542 28.819 54.083 1.00 0.00 H ATOM 1627 N LYS B 397 42.900 29.609 54.558 1.00 21.28 N ATOM 1628 CA LYS B 397 44.357 29.520 54.620 1.00 19.82 C ATOM 1629 C LYS B 397 45.030 29.672 53.244 1.00 23.57 C ATOM 1630 O LYS B 397 46.142 30.184 53.171 1.00 22.81 O ATOM 1631 CB LYS B 397 44.853 28.255 55.350 1.00 21.21 C ATOM 1632 CG LYS B 397 44.599 26.922 54.632 1.00 26.78 C ATOM 1633 CD LYS B 397 45.303 25.783 55.312 1.00 26.18 C ATOM 1634 CE LYS B 397 45.360 24.584 54.396 1.00 25.48 C ATOM 1635 NZ LYS B 397 45.684 23.347 55.143 1.00 25.86 N ATOM 1636 HZ1 LYS B 397 46.610 23.455 55.604 1.00 0.00 H ATOM 1637 HZ2 LYS B 397 44.954 23.177 55.864 1.00 0.00 H ATOM 1638 HZ3 LYS B 397 45.715 22.543 54.484 1.00 0.00 H ATOM 1639 H LYS B 397 42.338 28.798 54.888 1.00 0.00 H ATOM 1640 N GLU B 398 44.376 29.164 52.182 1.00 21.49 N ATOM 1641 CA GLU B 398 44.819 29.269 50.785 1.00 22.27 C ATOM 1642 C GLU B 398 44.617 30.722 50.332 1.00 24.02 C ATOM 1643 O GLU B 398 45.557 31.321 49.775 1.00 23.80 O ATOM 1644 CB GLU B 398 44.016 28.291 49.898 1.00 24.22 C ATOM 1645 CG GLU B 398 44.394 26.847 50.174 1.00 35.67 C ATOM 1646 CD GLU B 398 43.535 25.727 49.607 1.00 53.83 C ATOM 1647 OE1 GLU B 398 42.373 25.981 49.207 1.00 34.16 O ATOM 1648 OE2 GLU B 398 44.016 24.570 49.628 1.00 44.89 O ATOM 1649 H GLU B 398 43.487 28.657 52.365 1.00 0.00 H ATOM 1650 N ALA B 399 43.411 31.312 50.626 1.00 18.94 N ATOM 1651 CA ALA B 399 43.079 32.709 50.278 1.00 18.90 C ATOM 1652 C ALA B 399 44.141 33.676 50.851 1.00 22.89 C ATOM 1653 O ALA B 399 44.632 34.548 50.127 1.00 21.77 O ATOM 1654 CB ALA B 399 41.691 33.089 50.785 1.00 19.63 C ATOM 1655 H ALA B 399 42.693 30.744 51.120 1.00 0.00 H ATOM 1656 N ASP B 400 44.525 33.477 52.129 1.00 19.94 N ATOM 1657 CA ASP B 400 45.544 34.306 52.786 1.00 19.12 C ATOM 1658 C ASP B 400 46.822 34.289 51.990 1.00 21.81 C ATOM 1659 O ASP B 400 47.484 35.325 51.863 1.00 20.05 O ATOM 1660 CB ASP B 400 45.872 33.777 54.177 1.00 21.35 C ATOM 1661 CG ASP B 400 44.838 34.020 55.244 1.00 22.07 C ATOM 1662 OD1 ASP B 400 43.742 34.529 54.907 1.00 22.19 O ATOM 1663 OD2 ASP B 400 45.076 33.590 56.396 1.00 23.64 O ATOM 1664 H ASP B 400 44.082 32.707 52.670 1.00 0.00 H ATOM 1665 N LEU B 401 47.185 33.116 51.469 1.00 19.79 N ATOM 1666 CA LEU B 401 48.417 32.998 50.703 1.00 21.17 C ATOM 1667 C LEU B 401 48.348 33.576 49.303 1.00 22.67 C ATOM 1668 O LEU B 401 49.374 34.047 48.823 1.00 21.76 O ATOM 1669 CB LEU B 401 48.988 31.591 50.742 1.00 22.17 C ATOM 1670 CG LEU B 401 49.279 31.077 52.167 1.00 28.17 C ATOM 1671 CD1 LEU B 401 49.774 29.674 52.123 1.00 28.91 C ATOM 1672 CD2 LEU B 401 50.335 31.944 52.879 1.00 31.68 C ATOM 1673 H LEU B 401 46.583 32.280 51.611 1.00 0.00 H ATOM 1674 N VAL B 402 47.153 33.595 48.673 1.00 18.60 N ATOM 1675 CA VAL B 402 46.949 34.206 47.349 1.00 19.11 C ATOM 1676 C VAL B 402 47.259 35.692 47.488 1.00 22.56 C ATOM 1677 O VAL B 402 48.087 36.227 46.741 1.00 22.16 O ATOM 1678 CB VAL B 402 45.522 33.967 46.783 1.00 23.20 C ATOM 1679 CG1 VAL B 402 45.300 34.722 45.459 1.00 22.55 C ATOM 1680 CG2 VAL B 402 45.257 32.487 46.600 1.00 22.70 C ATOM 1681 H VAL B 402 46.337 33.157 49.146 1.00 0.00 H ATOM 1682 N THR B 403 46.614 36.347 48.463 1.00 17.70 N ATOM 1683 CA THR B 403 46.813 37.775 48.738 1.00 17.70 C ATOM 1684 C THR B 403 48.266 38.067 49.162 1.00 19.75 C ATOM 1685 O THR B 403 48.822 39.051 48.703 1.00 18.09 O ATOM 1686 CB THR B 403 45.780 38.270 49.772 1.00 22.67 C ATOM 1687 OG1 THR B 403 44.469 37.913 49.336 1.00 19.35 O ATOM 1688 CG2 THR B 403 45.851 39.783 49.992 1.00 21.04 C ATOM 1689 HG1 THR B 403 44.288 38.334 48.458 1.00 0.00 H ATOM 1690 H THR B 403 45.940 35.818 49.053 1.00 0.00 H ATOM 1691 N THR B 404 48.881 37.225 50.029 1.00 18.19 N ATOM 1692 CA THR B 404 50.297 37.415 50.439 1.00 17.08 C ATOM 1693 C THR B 404 51.200 37.414 49.181 1.00 17.85 C ATOM 1694 O THR B 404 52.056 38.296 49.022 1.00 16.74 O ATOM 1695 CB THR B 404 50.743 36.324 51.446 1.00 19.60 C ATOM 1696 OG1 THR B 404 49.853 36.252 52.566 1.00 21.10 O ATOM 1697 CG2 THR B 404 52.166 36.555 51.974 1.00 19.87 C ATOM 1698 HG1 THR B 404 48.941 36.033 52.248 1.00 0.00 H ATOM 1699 H THR B 404 48.346 36.423 50.419 1.00 0.00 H ATOM 1700 N HIS B 405 50.995 36.411 48.299 1.00 16.40 N ATOM 1701 CA HIS B 405 51.739 36.230 47.051 1.00 16.25 C ATOM 1702 C HIS B 405 51.541 37.444 46.125 1.00 18.92 C ATOM 1703 O HIS B 405 52.509 37.997 45.623 1.00 17.97 O ATOM 1704 CB HIS B 405 51.300 34.908 46.369 1.00 17.22 C ATOM 1705 CG HIS B 405 51.972 34.606 45.065 1.00 21.02 C ATOM 1706 ND1 HIS B 405 53.020 33.711 44.987 1.00 23.48 N ATOM 1707 CD2 HIS B 405 51.711 35.081 43.823 1.00 23.80 C ATOM 1708 CE1 HIS B 405 53.354 33.656 43.709 1.00 22.98 C ATOM 1709 NE2 HIS B 405 52.595 34.474 42.973 1.00 23.41 N ATOM 1710 H HIS B 405 50.254 35.716 48.523 1.00 0.00 H ATOM 1711 N GLU B 406 50.298 37.867 45.908 1.00 16.68 N ATOM 1712 CA GLU B 406 50.010 39.007 45.017 1.00 16.21 C ATOM 1713 C GLU B 406 50.629 40.301 45.560 1.00 20.40 C ATOM 1714 O GLU B 406 51.300 41.021 44.821 1.00 19.33 O ATOM 1715 CB GLU B 406 48.487 39.126 44.727 1.00 17.28 C ATOM 1716 CG GLU B 406 47.899 37.954 43.938 1.00 20.09 C ATOM 1717 CD GLU B 406 48.719 37.395 42.786 1.00 25.45 C ATOM 1718 OE1 GLU B 406 49.418 38.179 42.108 1.00 22.01 O ATOM 1719 OE2 GLU B 406 48.633 36.172 42.535 1.00 20.22 O ATOM 1720 H GLU B 406 49.509 37.381 46.379 1.00 0.00 H ATOM 1721 N LEU B 407 50.477 40.554 46.876 1.00 18.45 N ATOM 1722 CA LEU B 407 51.117 41.711 47.494 1.00 18.75 C ATOM 1723 C LEU B 407 52.642 41.560 47.403 1.00 22.98 C ATOM 1724 O LEU B 407 53.336 42.553 47.283 1.00 22.20 O ATOM 1725 CB LEU B 407 50.633 41.941 48.934 1.00 19.47 C ATOM 1726 CG LEU B 407 49.159 42.307 49.086 1.00 23.29 C ATOM 1727 CD1 LEU B 407 48.742 42.290 50.558 1.00 22.95 C ATOM 1728 CD2 LEU B 407 48.842 43.652 48.435 1.00 26.07 C ATOM 1729 H LEU B 407 49.896 39.917 47.458 1.00 0.00 H ATOM 1730 N GLY B 408 53.141 40.314 47.408 1.00 19.66 N ATOM 1731 CA GLY B 408 54.567 40.048 47.255 1.00 19.19 C ATOM 1732 C GLY B 408 55.065 40.574 45.923 1.00 22.33 C ATOM 1733 O GLY B 408 56.081 41.259 45.897 1.00 21.34 O ATOM 1734 H GLY B 408 52.489 39.512 47.525 1.00 0.00 H ATOM 1735 N HIS B 409 54.307 40.347 44.810 1.00 19.66 N ATOM 1736 CA HIS B 409 54.638 40.918 43.487 1.00 19.80 C ATOM 1737 C HIS B 409 54.582 42.444 43.570 1.00 23.62 C ATOM 1738 O HIS B 409 55.506 43.111 43.100 1.00 22.54 O ATOM 1739 CB HIS B 409 53.653 40.458 42.393 1.00 20.12 C ATOM 1740 CG HIS B 409 53.866 39.050 41.939 1.00 23.17 C ATOM 1741 ND1 HIS B 409 55.081 38.631 41.409 1.00 24.41 N ATOM 1742 CD2 HIS B 409 52.997 38.014 41.914 1.00 24.51 C ATOM 1743 CE1 HIS B 409 54.911 37.357 41.092 1.00 23.73 C ATOM 1744 NE2 HIS B 409 53.666 36.950 41.352 1.00 24.00 N ATOM 1745 H HIS B 409 53.462 39.747 44.897 1.00 0.00 H ATOM 1746 N ASN B 410 53.537 42.996 44.238 1.00 21.70 N ATOM 1747 CA ASN B 410 53.414 44.449 44.441 1.00 22.04 C ATOM 1748 C ASN B 410 54.596 45.012 45.214 1.00 25.05 C ATOM 1749 O ASN B 410 54.978 46.149 44.975 1.00 24.37 O ATOM 1750 CB ASN B 410 52.131 44.797 45.185 1.00 19.55 C ATOM 1751 CG ASN B 410 50.837 44.684 44.417 1.00 24.75 C ATOM 1752 OD1 ASN B 410 49.786 44.525 45.030 1.00 25.35 O ATOM 1753 ND2 ASN B 410 50.835 44.961 43.109 1.00 20.64 N ATOM 1754 HD22 ASN B 410 51.735 45.093 42.604 1.00 0.00 H ATOM 1755 HD21 ASN B 410 49.934 45.045 42.597 1.00 0.00 H ATOM 1756 H ASN B 410 52.798 42.371 44.619 1.00 0.00 H ATOM 1757 N PHE B 411 55.167 44.228 46.150 1.00 23.45 N ATOM 1758 CA PHE B 411 56.335 44.648 46.915 1.00 23.40 C ATOM 1759 C PHE B 411 57.630 44.470 46.083 1.00 28.70 C ATOM 1760 O PHE B 411 58.716 44.728 46.595 1.00 29.43 O ATOM 1761 CB PHE B 411 56.407 43.917 48.268 1.00 24.88 C ATOM 1762 CG PHE B 411 55.637 44.637 49.352 1.00 26.55 C ATOM 1763 CD1 PHE B 411 54.252 44.674 49.334 1.00 28.28 C ATOM 1764 CD2 PHE B 411 56.300 45.260 50.404 1.00 29.85 C ATOM 1765 CE1 PHE B 411 53.543 45.366 50.314 1.00 28.87 C ATOM 1766 CE2 PHE B 411 55.585 45.935 51.401 1.00 31.77 C ATOM 1767 CZ PHE B 411 54.215 45.991 51.343 1.00 29.13 C ATOM 1768 H PHE B 411 54.759 43.289 46.333 1.00 0.00 H ATOM 1769 N GLY B 412 57.497 43.997 44.840 1.00 26.01 N ATOM 1770 CA GLY B 412 58.604 43.839 43.898 1.00 27.00 C ATOM 1771 C GLY B 412 59.202 42.455 43.717 1.00 33.57 C ATOM 1772 O GLY B 412 60.154 42.309 42.949 1.00 34.66 O ATOM 1773 H GLY B 412 56.545 43.724 44.523 1.00 0.00 H ATOM 1774 N ALA B 413 58.651 41.420 44.386 1.00 28.73 N ATOM 1775 CA ALA B 413 59.182 40.060 44.253 1.00 28.07 C ATOM 1776 C ALA B 413 58.727 39.376 42.965 1.00 31.25 C ATOM 1777 O ALA B 413 57.604 39.592 42.482 1.00 28.58 O ATOM 1778 CB ALA B 413 58.794 39.212 45.458 1.00 28.35 C ATOM 1779 H ALA B 413 57.835 41.591 45.007 1.00 0.00 H ATOM 1780 N GLU B 414 59.619 38.553 42.391 1.00 27.71 N ATOM 1781 CA GLU B 414 59.252 37.735 41.250 1.00 26.68 C ATOM 1782 C GLU B 414 59.047 36.320 41.822 1.00 27.29 C ATOM 1783 O GLU B 414 59.217 36.116 43.022 1.00 27.11 O ATOM 1784 CB GLU B 414 60.309 37.800 40.111 1.00 28.36 C ATOM 1785 CG GLU B 414 61.675 37.226 40.461 1.00 40.73 C ATOM 1786 CD GLU B 414 62.759 37.359 39.403 1.00 60.76 C ATOM 1787 OE1 GLU B 414 62.678 38.282 38.561 1.00 41.87 O ATOM 1788 OE2 GLU B 414 63.728 36.569 39.458 1.00 63.53 O ATOM 1789 H GLU B 414 60.586 38.501 42.769 1.00 0.00 H ATOM 1790 N HIS B 415 58.675 35.357 40.991 1.00 23.13 N ATOM 1791 CA HIS B 415 58.522 33.985 41.474 1.00 21.82 C ATOM 1792 C HIS B 415 59.874 33.393 41.878 1.00 25.92 C ATOM 1793 O HIS B 415 60.931 33.786 41.352 1.00 27.62 O ATOM 1794 CB HIS B 415 57.848 33.098 40.420 1.00 20.86 C ATOM 1795 CG HIS B 415 56.405 33.414 40.196 1.00 23.53 C ATOM 1796 ND1 HIS B 415 55.793 33.178 38.974 1.00 25.35 N ATOM 1797 CD2 HIS B 415 55.493 33.939 41.045 1.00 24.62 C ATOM 1798 CE1 HIS B 415 54.531 33.544 39.128 1.00 24.79 C ATOM 1799 NE2 HIS B 415 54.303 34.009 40.353 1.00 24.92 N ATOM 1800 H HIS B 415 58.491 35.578 39.991 1.00 0.00 H ATOM 1801 N ASP B 416 59.828 32.502 42.859 1.00 21.17 N ATOM 1802 CA ASP B 416 60.977 31.721 43.329 1.00 21.41 C ATOM 1803 C ASP B 416 61.289 30.709 42.232 1.00 24.63 C ATOM 1804 O ASP B 416 60.391 30.377 41.456 1.00 22.72 O ATOM 1805 CB ASP B 416 60.628 30.972 44.633 1.00 22.53 C ATOM 1806 CG ASP B 416 60.499 31.874 45.851 1.00 27.46 C ATOM 1807 OD1 ASP B 416 61.203 32.902 45.904 1.00 27.50 O ATOM 1808 OD2 ASP B 416 59.692 31.548 46.752 1.00 27.48 O ATOM 1809 H ASP B 416 58.913 32.346 43.328 1.00 0.00 H ATOM 1810 N PRO B 417 62.521 30.164 42.136 1.00 25.51 N ATOM 1811 CA PRO B 417 62.762 29.136 41.099 1.00 26.34 C ATOM 1812 C PRO B 417 61.956 27.852 41.384 1.00 30.49 C ATOM 1813 O PRO B 417 61.603 27.613 42.534 1.00 29.82 O ATOM 1814 CB PRO B 417 64.274 28.889 41.168 1.00 28.62 C ATOM 1815 CG PRO B 417 64.708 29.380 42.496 1.00 32.33 C ATOM 1816 CD PRO B 417 63.716 30.425 42.958 1.00 28.07 C ATOM 1817 N ASP B 418 61.584 27.080 40.344 1.00 27.26 N ATOM 1818 CA ASP B 418 60.857 25.822 40.539 1.00 26.81 C ATOM 1819 C ASP B 418 61.817 24.693 40.948 1.00 31.79 C ATOM 1820 O ASP B 418 63.039 24.802 40.743 1.00 29.76 O ATOM 1821 CB ASP B 418 60.089 25.423 39.266 1.00 29.09 C ATOM 1822 CG ASP B 418 61.012 25.180 38.092 1.00 30.91 C ATOM 1823 OD1 ASP B 418 61.588 26.154 37.595 1.00 26.87 O ATOM 1824 OD2 ASP B 418 61.216 23.989 37.725 1.00 33.70 O ATOM 1825 H ASP B 418 61.819 27.385 39.378 1.00 0.00 H ATOM 1826 N GLY B 419 61.246 23.610 41.479 1.00 29.54 N ATOM 1827 CA GLY B 419 61.999 22.424 41.880 1.00 29.96 C ATOM 1828 C GLY B 419 62.739 22.553 43.197 1.00 34.29 C ATOM 1829 O GLY B 419 62.131 22.820 44.239 1.00 35.56 O ATOM 1830 H GLY B 419 60.215 23.610 41.614 1.00 0.00 H ATOM 1831 N LEU B 420 64.060 22.347 43.168 1.00 28.25 N ATOM 1832 CA LEU B 420 64.857 22.413 44.387 1.00 26.79 C ATOM 1833 C LEU B 420 65.970 23.439 44.247 1.00 28.25 C ATOM 1834 O LEU B 420 66.777 23.362 43.329 1.00 27.81 O ATOM 1835 CB LEU B 420 65.424 21.015 44.753 1.00 26.98 C ATOM 1836 CG LEU B 420 66.205 20.918 46.062 1.00 31.27 C ATOM 1837 CD1 LEU B 420 65.277 21.083 47.278 1.00 31.48 C ATOM 1838 CD2 LEU B 420 66.936 19.584 46.157 1.00 31.82 C ATOM 1839 H LEU B 420 64.526 22.137 42.262 1.00 0.00 H ATOM 1840 N ALA B 421 66.022 24.383 45.190 1.00 24.25 N ATOM 1841 CA ALA B 421 67.000 25.453 45.215 1.00 24.12 C ATOM 1842 C ALA B 421 66.989 26.044 46.614 1.00 29.78 C ATOM 1843 O ALA B 421 66.174 25.645 47.458 1.00 30.32 O ATOM 1844 CB ALA B 421 66.627 26.522 44.183 1.00 24.91 C ATOM 1845 H ALA B 421 65.317 24.349 45.954 1.00 0.00 H ATOM 1846 N GLU B 422 67.897 26.977 46.866 1.00 26.28 N ATOM 1847 CA GLU B 422 67.980 27.683 48.147 1.00 27.19 C ATOM 1848 C GLU B 422 66.593 28.291 48.446 1.00 33.06 C ATOM 1849 O GLU B 422 66.090 28.194 49.561 1.00 32.98 O ATOM 1850 CB GLU B 422 69.033 28.786 48.027 1.00 28.61 C ATOM 1851 CG GLU B 422 69.205 29.631 49.275 1.00 43.40 C ATOM 1852 CD GLU B 422 70.078 30.853 49.065 1.00 78.65 C ATOM 1853 OE1 GLU B 422 71.200 30.882 49.622 1.00 83.28 O ATOM 1854 OE2 GLU B 422 69.649 31.775 48.332 1.00 76.34 O ATOM 1855 H GLU B 422 68.581 27.218 46.121 1.00 0.00 H ATOM 1856 N CYS B 423 65.942 28.808 47.395 1.00 30.21 N ATOM 1857 CA CYS B 423 64.640 29.456 47.493 1.00 29.31 C ATOM 1858 C CYS B 423 63.430 28.596 47.210 1.00 30.25 C ATOM 1859 O CYS B 423 62.325 29.123 47.119 1.00 28.82 O ATOM 1860 CB CYS B 423 64.640 30.729 46.669 1.00 30.76 C ATOM 1861 SG CYS B 423 65.846 31.942 47.234 1.00 35.27 S ATOM 1862 H CYS B 423 66.390 28.743 46.459 1.00 0.00 H ATOM 1863 N ALA B 424 63.625 27.272 47.098 1.00 24.94 N ATOM 1864 CA ALA B 424 62.553 26.298 46.907 1.00 24.67 C ATOM 1865 C ALA B 424 62.988 25.028 47.664 1.00 30.36 C ATOM 1866 O ALA B 424 63.372 24.032 47.050 1.00 29.19 O ATOM 1867 CB ALA B 424 62.344 26.020 45.423 1.00 25.29 C ATOM 1868 H ALA B 424 64.601 26.917 47.151 1.00 0.00 H ATOM 1869 N PRO B 425 62.987 25.068 49.022 1.00 29.54 N ATOM 1870 CA PRO B 425 63.432 23.896 49.793 1.00 29.31 C ATOM 1871 C PRO B 425 62.554 22.667 49.622 1.00 33.30 C ATOM 1872 O PRO B 425 61.419 22.786 49.179 1.00 31.64 O ATOM 1873 CB PRO B 425 63.366 24.390 51.257 1.00 31.51 C ATOM 1874 CG PRO B 425 63.290 25.864 51.187 1.00 35.85 C ATOM 1875 CD PRO B 425 62.570 26.167 49.917 1.00 31.56 C ATOM 1876 N ASN B 426 63.059 21.489 50.040 1.00 33.15 N ATOM 1877 CA ASN B 426 62.266 20.255 49.995 1.00 34.44 C ATOM 1878 C ASN B 426 61.263 20.247 51.164 1.00 41.11 C ATOM 1879 O ASN B 426 61.359 21.093 52.068 1.00 38.86 O ATOM 1880 CB ASN B 426 63.169 18.987 50.006 1.00 37.06 C ATOM 1881 CG ASN B 426 64.206 18.913 51.113 1.00 70.06 C ATOM 1882 OD1 ASN B 426 63.932 19.149 52.295 1.00 66.03 O ATOM 1883 ND2 ASN B 426 65.419 18.518 50.758 1.00 66.96 N ATOM 1884 HD22 ASN B 426 65.631 18.324 49.758 1.00 0.00 H ATOM 1885 HD21 ASN B 426 66.160 18.402 51.479 1.00 0.00 H ATOM 1886 H ASN B 426 64.033 21.454 50.403 1.00 0.00 H ATOM 1887 N GLU B 427 60.297 19.301 51.127 1.00 42.03 N ATOM 1888 CA GLU B 427 59.261 19.092 52.144 1.00 43.31 C ATOM 1889 C GLU B 427 59.859 18.926 53.560 1.00 50.67 C ATOM 1890 O GLU B 427 59.304 19.474 54.511 1.00 50.90 O ATOM 1891 CB GLU B 427 58.355 17.902 51.765 1.00 44.50 C ATOM 1892 H GLU B 427 60.288 18.665 50.304 1.00 0.00 H ATOM 1893 N ASP B 428 61.012 18.227 53.687 1.00 49.36 N ATOM 1894 CA ASP B 428 61.703 18.024 54.967 1.00 50.18 C ATOM 1895 C ASP B 428 62.226 19.343 55.553 1.00 53.88 C ATOM 1896 O ASP B 428 62.281 19.487 56.779 1.00 54.92 O ATOM 1897 CB ASP B 428 62.848 16.990 54.830 1.00 52.87 C ATOM 1898 CG ASP B 428 63.584 16.656 56.121 1.00 69.35 C ATOM 1899 OD1 ASP B 428 62.948 16.087 57.043 1.00 70.69 O ATOM 1900 OD2 ASP B 428 64.798 16.947 56.204 1.00 78.26 O ATOM 1901 H ASP B 428 61.431 17.811 52.831 1.00 0.00 H ATOM 1902 N GLN B 429 62.587 20.304 54.680 1.00 48.06 N ATOM 1903 CA GLN B 429 63.115 21.609 55.086 1.00 46.75 C ATOM 1904 C GLN B 429 62.035 22.696 55.297 1.00 46.95 C ATOM 1905 O GLN B 429 62.374 23.843 55.597 1.00 46.89 O ATOM 1906 CB GLN B 429 64.216 22.076 54.113 1.00 48.37 C ATOM 1907 CG GLN B 429 65.516 21.284 54.228 1.00 69.24 C ATOM 1908 CD GLN B 429 66.435 21.875 55.256 1.00 96.15 C ATOM 1909 OE1 GLN B 429 67.301 22.699 54.939 1.00 95.04 O ATOM 1910 NE2 GLN B 429 66.267 21.469 56.510 1.00 88.19 N ATOM 1911 HE22 GLN B 429 65.527 20.774 56.737 1.00 0.00 H ATOM 1912 HE21 GLN B 429 66.875 21.846 57.265 1.00 0.00 H ATOM 1913 H GLN B 429 62.485 20.109 53.664 1.00 0.00 H ATOM 1914 N GLY B 430 60.764 22.318 55.169 1.00 40.78 N ATOM 1915 CA GLY B 430 59.640 23.233 55.374 1.00 39.00 C ATOM 1916 C GLY B 430 58.744 23.440 54.171 1.00 38.16 C ATOM 1917 O GLY B 430 57.645 23.986 54.302 1.00 36.94 O ATOM 1918 H GLY B 430 60.562 21.331 54.912 1.00 0.00 H ATOM 1919 N GLY B 431 59.207 23.006 53.001 1.00 31.01 N ATOM 1920 CA GLY B 431 58.446 23.152 51.768 1.00 28.01 C ATOM 1921 C GLY B 431 58.746 24.466 51.077 1.00 27.11 C ATOM 1922 O GLY B 431 59.697 25.174 51.434 1.00 25.54 O ATOM 1923 H GLY B 431 60.140 22.549 52.966 1.00 0.00 H ATOM 1924 N LYS B 432 57.933 24.809 50.086 1.00 24.27 N ATOM 1925 CA LYS B 432 58.163 26.021 49.283 1.00 23.19 C ATOM 1926 C LYS B 432 57.716 27.296 50.006 1.00 29.10 C ATOM 1927 O LYS B 432 56.856 27.249 50.890 1.00 28.89 O ATOM 1928 CB LYS B 432 57.444 25.926 47.916 1.00 24.80 C ATOM 1929 CG LYS B 432 57.610 24.595 47.149 1.00 31.35 C ATOM 1930 CD LYS B 432 59.076 24.280 46.825 1.00 40.51 C ATOM 1931 CE LYS B 432 59.239 23.157 45.821 1.00 43.72 C ATOM 1932 NZ LYS B 432 58.788 21.849 46.341 1.00 47.48 N ATOM 1933 HZ1 LYS B 432 59.343 21.603 47.185 1.00 0.00 H ATOM 1934 HZ2 LYS B 432 57.780 21.906 46.592 1.00 0.00 H ATOM 1935 HZ3 LYS B 432 58.924 21.121 45.610 1.00 0.00 H ATOM 1936 H LYS B 432 57.113 24.207 49.871 1.00 0.00 H ATOM 1937 N TYR B 433 58.296 28.428 49.594 1.00 24.77 N ATOM 1938 CA TYR B 433 57.990 29.755 50.107 1.00 24.06 C ATOM 1939 C TYR B 433 56.818 30.346 49.337 1.00 24.80 C ATOM 1940 O TYR B 433 56.451 29.831 48.285 1.00 23.93 O ATOM 1941 CB TYR B 433 59.227 30.659 50.080 1.00 25.19 C ATOM 1942 CG TYR B 433 60.280 30.248 51.091 1.00 28.10 C ATOM 1943 CD1 TYR B 433 60.118 30.520 52.449 1.00 30.43 C ATOM 1944 CD2 TYR B 433 61.444 29.604 50.690 1.00 28.95 C ATOM 1945 CE1 TYR B 433 61.087 30.153 53.382 1.00 31.83 C ATOM 1946 CE2 TYR B 433 62.447 29.285 51.607 1.00 29.92 C ATOM 1947 CZ TYR B 433 62.256 29.540 52.955 1.00 38.40 C ATOM 1948 OH TYR B 433 63.222 29.181 53.869 1.00 39.78 O ATOM 1949 HH TYR B 433 62.925 29.435 54.779 1.00 0.00 H ATOM 1950 H TYR B 433 59.020 28.355 48.851 1.00 0.00 H ATOM 1951 N VAL B 434 56.174 31.386 49.890 1.00 22.76 N ATOM 1952 CA VAL B 434 54.958 31.978 49.320 1.00 21.05 C ATOM 1953 C VAL B 434 55.064 32.412 47.822 1.00 23.38 C ATOM 1954 O VAL B 434 54.071 32.349 47.104 1.00 22.30 O ATOM 1955 CB VAL B 434 54.401 33.090 50.270 1.00 22.84 C ATOM 1956 CG1 VAL B 434 55.287 34.324 50.276 1.00 22.20 C ATOM 1957 CG2 VAL B 434 52.953 33.435 49.953 1.00 22.65 C ATOM 1958 H VAL B 434 56.556 31.793 50.767 1.00 0.00 H ATOM 1959 N MET B 435 56.251 32.840 47.363 1.00 21.11 N ATOM 1960 CA MET B 435 56.410 33.284 45.975 1.00 19.58 C ATOM 1961 C MET B 435 56.673 32.116 44.999 1.00 24.18 C ATOM 1962 O MET B 435 57.062 32.343 43.841 1.00 24.49 O ATOM 1963 CB MET B 435 57.455 34.409 45.818 1.00 21.30 C ATOM 1964 CG MET B 435 57.123 35.696 46.599 1.00 22.47 C ATOM 1965 SD MET B 435 55.423 36.309 46.311 1.00 23.52 S ATOM 1966 CE MET B 435 55.460 36.660 44.554 1.00 20.93 C ATOM 1967 H MET B 435 57.071 32.857 48.003 1.00 0.00 H ATOM 1968 N TYR B 436 56.428 30.870 45.450 1.00 20.74 N ATOM 1969 CA TYR B 436 56.580 29.726 44.565 1.00 21.49 C ATOM 1970 C TYR B 436 55.578 29.898 43.403 1.00 26.77 C ATOM 1971 O TYR B 436 54.459 30.391 43.650 1.00 25.54 O ATOM 1972 CB TYR B 436 56.370 28.403 45.326 1.00 22.05 C ATOM 1973 CG TYR B 436 56.956 27.223 44.579 1.00 22.97 C ATOM 1974 CD1 TYR B 436 58.335 27.048 44.485 1.00 24.28 C ATOM 1975 CD2 TYR B 436 56.134 26.309 43.924 1.00 23.38 C ATOM 1976 CE1 TYR B 436 58.879 26.012 43.731 1.00 25.49 C ATOM 1977 CE2 TYR B 436 56.668 25.245 43.200 1.00 24.19 C ATOM 1978 CZ TYR B 436 58.044 25.107 43.101 1.00 30.27 C ATOM 1979 OH TYR B 436 58.590 24.063 42.393 1.00 29.25 O ATOM 1980 HH TYR B 436 59.578 24.122 42.429 1.00 0.00 H ATOM 1981 H TYR B 436 56.129 30.726 46.436 1.00 0.00 H ATOM 1982 N PRO B 437 55.949 29.556 42.136 1.00 25.14 N ATOM 1983 CA PRO B 437 55.021 29.773 41.019 1.00 25.54 C ATOM 1984 C PRO B 437 53.780 28.884 40.988 1.00 33.01 C ATOM 1985 O PRO B 437 52.835 29.228 40.302 1.00 33.78 O ATOM 1986 CB PRO B 437 55.901 29.604 39.773 1.00 27.11 C ATOM 1987 CG PRO B 437 57.004 28.768 40.184 1.00 31.01 C ATOM 1988 CD PRO B 437 57.251 29.042 41.649 1.00 26.64 C ATOM 1989 N ILE B 438 53.781 27.759 41.710 1.00 30.56 N ATOM 1990 CA ILE B 438 52.620 26.877 41.818 1.00 30.64 C ATOM 1991 C ILE B 438 52.027 27.169 43.199 1.00 32.03 C ATOM 1992 O ILE B 438 52.759 27.151 44.195 1.00 27.69 O ATOM 1993 CB ILE B 438 52.981 25.382 41.624 1.00 34.35 C ATOM 1994 CG1 ILE B 438 53.553 25.144 40.186 1.00 34.84 C ATOM 1995 CG2 ILE B 438 51.743 24.490 41.907 1.00 35.02 C ATOM 1996 CD1 ILE B 438 54.052 23.754 39.879 1.00 46.38 C ATOM 1997 H ILE B 438 54.649 27.499 42.219 1.00 0.00 H ATOM 1998 N ALA B 439 50.724 27.495 43.246 1.00 31.92 N ATOM 1999 CA ALA B 439 50.016 27.852 44.486 1.00 32.67 C ATOM 2000 C ALA B 439 50.302 26.917 45.644 1.00 36.82 C ATOM 2001 O ALA B 439 50.086 25.713 45.536 1.00 36.96 O ATOM 2002 CB ALA B 439 48.510 27.966 44.248 1.00 33.95 C ATOM 2003 H ALA B 439 50.186 27.495 42.356 1.00 0.00 H ATOM 2004 N VAL B 440 50.864 27.476 46.721 1.00 34.29 N ATOM 2005 CA VAL B 440 51.161 26.722 47.935 1.00 34.63 C ATOM 2006 C VAL B 440 49.885 26.543 48.741 1.00 41.10 C ATOM 2007 O VAL B 440 49.145 27.514 48.968 1.00 40.46 O ATOM 2008 CB VAL B 440 52.347 27.273 48.780 1.00 38.13 C ATOM 2009 CG1 VAL B 440 53.672 27.110 48.037 1.00 37.68 C ATOM 2010 CG2 VAL B 440 52.133 28.720 49.214 1.00 37.54 C ATOM 2011 H VAL B 440 51.099 28.489 46.692 1.00 0.00 H ATOM 2012 N SER B 441 49.615 25.285 49.130 1.00 39.80 N ATOM 2013 CA SER B 441 48.448 24.857 49.912 1.00 40.12 C ATOM 2014 C SER B 441 48.323 25.533 51.282 1.00 42.93 C ATOM 2015 O SER B 441 47.202 25.772 51.730 1.00 43.76 O ATOM 2016 CB SER B 441 48.478 23.345 50.102 1.00 43.96 C ATOM 2017 OG SER B 441 49.721 22.940 50.653 1.00 50.68 O ATOM 2018 HG SER B 441 49.724 21.957 50.770 1.00 0.00 H ATOM 2019 H SER B 441 50.294 24.548 48.852 1.00 0.00 H ATOM 2020 N GLY B 442 49.458 25.804 51.938 1.00 38.04 N ATOM 2021 CA GLY B 442 49.501 26.367 53.284 1.00 37.53 C ATOM 2022 C GLY B 442 49.762 25.286 54.323 1.00 42.09 C ATOM 2023 O GLY B 442 49.993 25.588 55.500 1.00 41.75 O ATOM 2024 H GLY B 442 50.360 25.602 51.462 1.00 0.00 H ATOM 2025 N ASP B 443 49.763 24.002 53.859 1.00 38.35 N ATOM 2026 CA ASP B 443 49.987 22.770 54.630 1.00 37.22 C ATOM 2027 C ASP B 443 51.407 22.639 55.195 1.00 41.39 C ATOM 2028 O ASP B 443 51.617 21.829 56.099 1.00 41.30 O ATOM 2029 CB ASP B 443 49.740 21.549 53.720 1.00 38.24 C ATOM 2030 CG ASP B 443 48.334 21.309 53.196 1.00 45.28 C ATOM 2031 OD1 ASP B 443 48.095 20.229 52.630 1.00 46.64 O ATOM 2032 OD2 ASP B 443 47.481 22.215 53.322 1.00 48.79 O ATOM 2033 H ASP B 443 49.585 23.881 52.842 1.00 0.00 H ATOM 2034 N HIS B 444 52.391 23.361 54.621 1.00 36.12 N ATOM 2035 CA HIS B 444 53.804 23.261 55.008 1.00 36.02 C ATOM 2036 C HIS B 444 54.317 24.548 55.614 1.00 40.62 C ATOM 2037 O HIS B 444 53.862 25.626 55.241 1.00 39.91 O ATOM 2038 CB HIS B 444 54.678 22.843 53.808 1.00 36.80 C ATOM 2039 CG HIS B 444 54.115 21.707 53.009 1.00 40.18 C ATOM 2040 ND1 HIS B 444 54.546 20.409 53.201 1.00 41.75 N ATOM 2041 CD2 HIS B 444 53.170 21.717 52.036 1.00 41.82 C ATOM 2042 CE1 HIS B 444 53.849 19.671 52.349 1.00 41.28 C ATOM 2043 NE2 HIS B 444 53.003 20.413 51.632 1.00 41.60 N ATOM 2044 H HIS B 444 52.135 24.025 53.863 1.00 0.00 H ATOM 2045 N GLU B 445 55.289 24.434 56.527 1.00 38.59 N ATOM 2046 CA GLU B 445 55.876 25.538 57.292 1.00 38.65 C ATOM 2047 C GLU B 445 56.347 26.780 56.511 1.00 40.96 C ATOM 2048 O GLU B 445 56.077 27.903 56.953 1.00 39.91 O ATOM 2049 CB GLU B 445 56.980 25.014 58.218 1.00 40.49 C ATOM 2050 CG GLU B 445 57.108 25.785 59.520 1.00 57.14 C ATOM 2051 CD GLU B 445 58.329 25.445 60.356 1.00 86.81 C ATOM 2052 OE1 GLU B 445 58.582 24.240 60.590 1.00 89.17 O ATOM 2053 OE2 GLU B 445 59.022 26.389 60.799 1.00 82.67 O ATOM 2054 H GLU B 445 55.660 23.480 56.709 1.00 0.00 H ATOM 2055 N ASN B 446 57.075 26.598 55.383 1.00 34.50 N ATOM 2056 CA ASN B 446 57.608 27.741 54.629 1.00 32.74 C ATOM 2057 C ASN B 446 56.580 28.476 53.766 1.00 32.76 C ATOM 2058 O ASN B 446 56.854 29.598 53.336 1.00 30.63 O ATOM 2059 CB ASN B 446 58.816 27.336 53.774 1.00 29.86 C ATOM 2060 CG ASN B 446 60.035 26.854 54.537 1.00 50.99 C ATOM 2061 OD1 ASN B 446 60.244 27.158 55.721 1.00 44.26 O ATOM 2062 ND2 ASN B 446 60.895 26.113 53.851 1.00 39.65 N ATOM 2063 HD22 ASN B 446 60.697 25.871 52.859 1.00 0.00 H ATOM 2064 HD21 ASN B 446 61.767 25.774 54.305 1.00 0.00 H ATOM 2065 H ASN B 446 57.260 25.632 55.045 1.00 0.00 H ATOM 2066 N ASN B 447 55.430 27.843 53.489 1.00 29.68 N ATOM 2067 CA ASN B 447 54.357 28.387 52.648 1.00 30.47 C ATOM 2068 C ASN B 447 53.892 29.787 53.038 1.00 34.63 C ATOM 2069 O ASN B 447 53.445 30.525 52.164 1.00 33.37 O ATOM 2070 CB ASN B 447 53.147 27.465 52.628 1.00 28.32 C ATOM 2071 CG ASN B 447 53.330 26.075 52.041 1.00 42.66 C ATOM 2072 OD1 ASN B 447 52.414 25.251 52.127 1.00 36.03 O ATOM 2073 ND2 ASN B 447 54.462 25.778 51.372 1.00 26.49 N ATOM 2074 HD22 ASN B 447 55.227 26.480 51.306 1.00 0.00 H ATOM 2075 HD21 ASN B 447 54.571 24.847 50.922 1.00 0.00 H ATOM 2076 H ASN B 447 55.288 26.898 53.900 1.00 0.00 H ATOM 2077 N LYS B 448 53.954 30.119 54.344 1.00 32.41 N ATOM 2078 CA LYS B 448 53.547 31.409 54.928 1.00 32.65 C ATOM 2079 C LYS B 448 54.762 32.340 55.114 1.00 37.76 C ATOM 2080 O LYS B 448 54.686 33.319 55.871 1.00 39.92 O ATOM 2081 CB LYS B 448 52.844 31.188 56.295 1.00 33.69 C ATOM 2082 CG LYS B 448 51.518 30.426 56.223 1.00 51.53 C ATOM 2083 CD LYS B 448 51.126 29.801 57.557 1.00 61.66 C ATOM 2084 CE LYS B 448 50.140 30.638 58.339 1.00 70.05 C ATOM 2085 NZ LYS B 448 49.715 29.959 59.594 1.00 74.66 N ATOM 2086 HZ1 LYS B 448 49.262 29.052 59.360 1.00 0.00 H ATOM 2087 HZ2 LYS B 448 50.548 29.788 60.193 1.00 0.00 H ATOM 2088 HZ3 LYS B 448 49.039 30.564 60.102 1.00 0.00 H ATOM 2089 H LYS B 448 54.322 29.399 54.998 1.00 0.00 H ATOM 2090 N MET B 449 55.885 32.024 54.458 1.00 32.11 N ATOM 2091 CA MET B 449 57.117 32.798 54.592 1.00 30.91 C ATOM 2092 C MET B 449 57.664 33.203 53.234 1.00 28.10 C ATOM 2093 O MET B 449 57.297 32.604 52.220 1.00 24.59 O ATOM 2094 CB MET B 449 58.182 31.971 55.333 1.00 34.19 C ATOM 2095 CG MET B 449 58.122 32.073 56.838 1.00 39.47 C ATOM 2096 SD MET B 449 59.576 31.232 57.539 1.00 46.16 S ATOM 2097 CE MET B 449 58.985 29.569 57.632 1.00 42.88 C ATOM 2098 H MET B 449 55.881 31.196 53.829 1.00 0.00 H ATOM 2099 N PHE B 450 58.529 34.228 53.217 1.00 23.35 N ATOM 2100 CA PHE B 450 59.187 34.692 51.992 1.00 22.79 C ATOM 2101 C PHE B 450 60.571 34.074 51.898 1.00 29.98 C ATOM 2102 O PHE B 450 61.263 33.964 52.913 1.00 29.93 O ATOM 2103 CB PHE B 450 59.328 36.220 51.981 1.00 23.52 C ATOM 2104 CG PHE B 450 58.052 36.924 51.627 1.00 23.82 C ATOM 2105 CD1 PHE B 450 57.684 37.098 50.302 1.00 24.99 C ATOM 2106 CD2 PHE B 450 57.219 37.429 52.620 1.00 24.08 C ATOM 2107 CE1 PHE B 450 56.494 37.755 49.970 1.00 25.84 C ATOM 2108 CE2 PHE B 450 56.028 38.072 52.288 1.00 26.93 C ATOM 2109 CZ PHE B 450 55.669 38.223 50.965 1.00 24.83 C ATOM 2110 H PHE B 450 58.742 34.714 54.111 1.00 0.00 H ATOM 2111 N SER B 451 60.999 33.696 50.675 1.00 28.12 N ATOM 2112 CA SER B 451 62.348 33.137 50.465 1.00 28.09 C ATOM 2113 C SER B 451 63.415 34.244 50.549 1.00 32.97 C ATOM 2114 O SER B 451 63.069 35.423 50.551 1.00 32.67 O ATOM 2115 CB SER B 451 62.421 32.494 49.084 1.00 28.89 C ATOM 2116 OG SER B 451 62.371 33.487 48.075 1.00 32.81 O ATOM 2117 HG SER B 451 62.419 33.055 47.186 1.00 0.00 H ATOM 2118 H SER B 451 60.362 33.801 49.860 1.00 0.00 H ATOM 2119 N GLN B 452 64.715 33.870 50.505 1.00 31.19 N ATOM 2120 CA GLN B 452 65.827 34.834 50.456 1.00 31.25 C ATOM 2121 C GLN B 452 65.738 35.655 49.164 1.00 33.71 C ATOM 2122 O GLN B 452 66.005 36.856 49.173 1.00 33.37 O ATOM 2123 CB GLN B 452 67.194 34.113 50.491 1.00 32.90 C ATOM 2124 CG GLN B 452 67.504 33.373 51.790 1.00 51.29 C ATOM 2125 CD GLN B 452 67.578 34.277 52.993 1.00 70.12 C ATOM 2126 OE1 GLN B 452 66.750 34.196 53.904 1.00 62.62 O ATOM 2127 NE2 GLN B 452 68.577 35.146 53.025 1.00 64.96 N ATOM 2128 HE22 GLN B 452 69.257 35.186 52.239 1.00 0.00 H ATOM 2129 HE21 GLN B 452 68.682 35.788 53.836 1.00 0.00 H ATOM 2130 H GLN B 452 64.939 32.854 50.506 1.00 0.00 H ATOM 2131 N CYS B 453 65.381 34.985 48.051 1.00 30.32 N ATOM 2132 CA CYS B 453 65.188 35.571 46.724 1.00 30.79 C ATOM 2133 C CYS B 453 64.123 36.678 46.782 1.00 30.65 C ATOM 2134 O CYS B 453 64.363 37.786 46.303 1.00 30.19 O ATOM 2135 CB CYS B 453 64.806 34.480 45.725 1.00 31.68 C ATOM 2136 SG CYS B 453 66.030 33.136 45.593 1.00 35.64 S ATOM 2137 H CYS B 453 65.229 33.960 48.143 1.00 0.00 H ATOM 2138 N SER B 454 62.958 36.384 47.393 1.00 25.56 N ATOM 2139 CA SER B 454 61.893 37.392 47.567 1.00 23.72 C ATOM 2140 C SER B 454 62.380 38.545 48.471 1.00 28.58 C ATOM 2141 O SER B 454 62.157 39.706 48.149 1.00 27.65 O ATOM 2142 CB SER B 454 60.654 36.751 48.190 1.00 25.40 C ATOM 2143 OG SER B 454 60.144 35.736 47.346 1.00 26.13 O ATOM 2144 HG SER B 454 59.343 35.332 47.764 1.00 0.00 H ATOM 2145 H SER B 454 62.805 35.420 47.752 1.00 0.00 H ATOM 2146 N LYS B 455 63.053 38.217 49.578 1.00 27.83 N ATOM 2147 CA LYS B 455 63.564 39.195 50.559 1.00 28.69 C ATOM 2148 C LYS B 455 64.547 40.168 49.899 1.00 37.50 C ATOM 2149 O LYS B 455 64.458 41.382 50.107 1.00 37.19 O ATOM 2150 CB LYS B 455 64.217 38.479 51.746 1.00 30.34 C ATOM 2151 CG LYS B 455 63.246 37.898 52.777 1.00 34.18 C ATOM 2152 CD LYS B 455 64.025 37.308 53.925 1.00 40.94 C ATOM 2153 CE LYS B 455 63.163 36.662 54.968 1.00 47.27 C ATOM 2154 NZ LYS B 455 63.989 36.027 56.019 1.00 54.11 N ATOM 2155 HZ1 LYS B 455 64.596 35.300 55.589 1.00 0.00 H ATOM 2156 HZ2 LYS B 455 64.582 36.749 56.476 1.00 0.00 H ATOM 2157 HZ3 LYS B 455 63.368 35.588 56.728 1.00 0.00 H ATOM 2158 H LYS B 455 63.228 37.208 49.760 1.00 0.00 H ATOM 2159 N GLN B 456 65.448 39.634 49.056 1.00 35.60 N ATOM 2160 CA GLN B 456 66.440 40.404 48.315 1.00 35.72 C ATOM 2161 C GLN B 456 65.759 41.409 47.355 1.00 39.20 C ATOM 2162 O GLN B 456 66.189 42.559 47.303 1.00 40.49 O ATOM 2163 CB GLN B 456 67.362 39.428 47.564 1.00 37.75 C ATOM 2164 CG GLN B 456 68.536 40.048 46.816 1.00 61.19 C ATOM 2165 CD GLN B 456 69.055 39.083 45.777 1.00 86.31 C ATOM 2166 OE1 GLN B 456 69.491 37.961 46.082 1.00 83.28 O ATOM 2167 NE2 GLN B 456 68.993 39.488 44.518 1.00 78.95 N ATOM 2168 HE22 GLN B 456 68.623 40.434 44.294 1.00 0.00 H ATOM 2169 HE21 GLN B 456 69.314 38.861 43.753 1.00 0.00 H ATOM 2170 H GLN B 456 65.437 38.603 48.924 1.00 0.00 H ATOM 2171 N SER B 457 64.680 41.003 46.630 1.00 32.54 N ATOM 2172 CA SER B 457 63.963 41.914 45.714 1.00 30.97 C ATOM 2173 C SER B 457 63.136 42.948 46.466 1.00 33.01 C ATOM 2174 O SER B 457 63.104 44.112 46.060 1.00 33.21 O ATOM 2175 CB SER B 457 63.030 41.138 44.782 1.00 33.38 C ATOM 2176 OG SER B 457 63.688 40.036 44.180 1.00 46.01 O ATOM 2177 HG SER B 457 63.055 39.560 43.586 1.00 0.00 H ATOM 2178 H SER B 457 64.350 40.021 46.724 1.00 0.00 H ATOM 2179 N ILE B 458 62.439 42.517 47.535 1.00 27.21 N ATOM 2180 CA ILE B 458 61.547 43.395 48.315 1.00 25.92 C ATOM 2181 C ILE B 458 62.390 44.373 49.135 1.00 34.88 C ATOM 2182 O ILE B 458 62.011 45.543 49.241 1.00 34.17 O ATOM 2183 CB ILE B 458 60.499 42.601 49.158 1.00 27.29 C ATOM 2184 CG1 ILE B 458 59.573 41.763 48.228 1.00 26.70 C ATOM 2185 CG2 ILE B 458 59.659 43.544 50.061 1.00 26.64 C ATOM 2186 CD1 ILE B 458 58.701 40.721 48.893 1.00 26.30 C ATOM 2187 H ILE B 458 62.534 41.522 47.823 1.00 0.00 H ATOM 2188 N TYR B 459 63.549 43.917 49.666 1.00 36.46 N ATOM 2189 CA TYR B 459 64.454 44.801 50.420 1.00 38.13 C ATOM 2190 C TYR B 459 64.867 46.019 49.577 1.00 44.83 C ATOM 2191 O TYR B 459 64.947 47.121 50.118 1.00 45.92 O ATOM 2192 CB TYR B 459 65.675 44.055 51.001 1.00 40.96 C ATOM 2193 CG TYR B 459 66.525 44.914 51.917 1.00 45.45 C ATOM 2194 CD1 TYR B 459 66.070 45.288 53.179 1.00 47.62 C ATOM 2195 CD2 TYR B 459 67.765 45.392 51.504 1.00 47.49 C ATOM 2196 CE1 TYR B 459 66.838 46.101 54.015 1.00 50.29 C ATOM 2197 CE2 TYR B 459 68.538 46.213 52.328 1.00 48.79 C ATOM 2198 CZ TYR B 459 68.070 46.565 53.583 1.00 57.38 C ATOM 2199 OH TYR B 459 68.834 47.365 54.401 1.00 61.03 O ATOM 2200 HH TYR B 459 68.354 47.517 55.253 1.00 0.00 H ATOM 2201 H TYR B 459 63.807 42.918 49.538 1.00 0.00 H ATOM 2202 N LYS B 460 65.057 45.829 48.252 1.00 41.58 N ATOM 2203 CA LYS B 460 65.395 46.893 47.310 1.00 41.35 C ATOM 2204 C LYS B 460 64.208 47.848 47.145 1.00 44.67 C ATOM 2205 O LYS B 460 64.410 49.055 47.111 1.00 44.38 O ATOM 2206 CB LYS B 460 65.833 46.314 45.955 1.00 43.53 C ATOM 2207 H LYS B 460 64.956 44.863 47.880 1.00 0.00 H ATOM 2208 N THR B 461 62.965 47.311 47.086 1.00 41.35 N ATOM 2209 CA THR B 461 61.746 48.114 46.967 1.00 40.32 C ATOM 2210 C THR B 461 61.526 48.968 48.225 1.00 43.07 C ATOM 2211 O THR B 461 61.331 50.179 48.101 1.00 42.72 O ATOM 2212 CB THR B 461 60.537 47.204 46.701 1.00 45.39 C ATOM 2213 OG1 THR B 461 60.729 46.513 45.470 1.00 46.76 O ATOM 2214 CG2 THR B 461 59.226 47.954 46.655 1.00 39.89 C ATOM 2215 HG1 THR B 461 60.818 47.170 44.735 1.00 0.00 H ATOM 2216 H THR B 461 62.872 46.276 47.127 1.00 0.00 H ATOM 2217 N ILE B 462 61.541 48.333 49.411 1.00 38.76 N ATOM 2218 CA ILE B 462 61.296 48.992 50.690 1.00 39.84 C ATOM 2219 C ILE B 462 62.266 50.144 50.932 1.00 47.74 C ATOM 2220 O ILE B 462 61.823 51.248 51.239 1.00 47.15 O ATOM 2221 CB ILE B 462 61.182 47.992 51.870 1.00 42.79 C ATOM 2222 CG1 ILE B 462 59.915 47.131 51.714 1.00 42.98 C ATOM 2223 CG2 ILE B 462 61.141 48.734 53.218 1.00 44.57 C ATOM 2224 CD1 ILE B 462 59.692 46.072 52.811 1.00 50.28 C ATOM 2225 H ILE B 462 61.739 47.312 49.417 1.00 0.00 H ATOM 2226 N GLU B 463 63.568 49.905 50.698 1.00 48.16 N ATOM 2227 CA GLU B 463 64.641 50.899 50.835 1.00 49.69 C ATOM 2228 C GLU B 463 64.445 52.158 49.954 1.00 56.74 C ATOM 2229 O GLU B 463 65.021 53.201 50.271 1.00 58.45 O ATOM 2230 CB GLU B 463 66.014 50.253 50.578 1.00 51.04 C ATOM 2231 H GLU B 463 63.835 48.946 50.398 1.00 0.00 H ATOM 2232 N SER B 464 63.618 52.074 48.882 1.00 53.11 N ATOM 2233 CA SER B 464 63.353 53.206 47.981 1.00 52.42 C ATOM 2234 C SER B 464 61.910 53.744 47.963 1.00 55.77 C ATOM 2235 O SER B 464 61.723 54.931 47.700 1.00 56.55 O ATOM 2236 CB SER B 464 63.832 52.896 46.563 1.00 55.92 C ATOM 2237 OG SER B 464 62.997 51.977 45.875 1.00 64.26 O ATOM 2238 HG SER B 464 62.968 51.122 46.374 1.00 0.00 H ATOM 2239 H SER B 464 63.149 51.166 48.688 1.00 0.00 H ATOM 2240 N LYS B 465 60.899 52.881 48.218 1.00 49.93 N ATOM 2241 CA LYS B 465 59.469 53.228 48.141 1.00 48.27 C ATOM 2242 C LYS B 465 58.803 53.581 49.471 1.00 50.00 C ATOM 2243 O LYS B 465 57.740 54.214 49.467 1.00 48.78 O ATOM 2244 CB LYS B 465 58.669 52.112 47.431 1.00 50.09 C ATOM 2245 CG LYS B 465 59.202 51.667 46.057 1.00 55.31 C ATOM 2246 CD LYS B 465 58.924 52.664 44.943 1.00 64.28 C ATOM 2247 CE LYS B 465 59.604 52.270 43.659 1.00 75.38 C ATOM 2248 NZ LYS B 465 58.845 51.232 42.920 1.00 80.74 N ATOM 2249 HZ1 LYS B 465 58.755 50.382 43.513 1.00 0.00 H ATOM 2250 HZ2 LYS B 465 57.899 51.596 42.687 1.00 0.00 H ATOM 2251 HZ3 LYS B 465 59.351 50.992 42.043 1.00 0.00 H ATOM 2252 H LYS B 465 61.148 51.908 48.486 1.00 0.00 H ATOM 2253 N ALA B 466 59.381 53.137 50.598 1.00 46.37 N ATOM 2254 CA ALA B 466 58.816 53.421 51.919 1.00 46.10 C ATOM 2255 C ALA B 466 58.746 54.926 52.176 1.00 48.66 C ATOM 2256 O ALA B 466 57.696 55.415 52.586 1.00 47.48 O ATOM 2257 CB ALA B 466 59.610 52.724 53.010 1.00 46.80 C ATOM 2258 H ALA B 466 60.254 52.576 50.531 1.00 0.00 H ATOM 2259 N GLN B 467 59.838 55.668 51.855 1.00 45.16 N ATOM 2260 CA GLN B 467 59.900 57.123 52.016 1.00 44.57 C ATOM 2261 C GLN B 467 58.875 57.796 51.107 1.00 46.18 C ATOM 2262 O GLN B 467 58.237 58.770 51.518 1.00 46.86 O ATOM 2263 CB GLN B 467 61.319 57.644 51.724 1.00 46.37 C ATOM 2264 H GLN B 467 60.673 55.178 51.475 1.00 0.00 H ATOM 2265 N GLU B 468 58.649 57.208 49.914 1.00 39.93 N ATOM 2266 CA GLU B 468 57.717 57.701 48.907 1.00 38.07 C ATOM 2267 C GLU B 468 56.229 57.660 49.288 1.00 39.41 C ATOM 2268 O GLU B 468 55.529 58.652 49.063 1.00 38.35 O ATOM 2269 CB GLU B 468 57.982 56.988 47.565 1.00 39.57 C ATOM 2270 CG GLU B 468 57.156 57.471 46.376 1.00 48.72 C ATOM 2271 CD GLU B 468 57.338 56.676 45.095 1.00 69.71 C ATOM 2272 OE1 GLU B 468 58.407 56.044 44.925 1.00 64.54 O ATOM 2273 OE2 GLU B 468 56.413 56.697 44.250 1.00 65.47 O ATOM 2274 H GLU B 468 59.178 56.340 49.697 1.00 0.00 H ATOM 2275 N CYS B 469 55.716 56.509 49.790 1.00 34.18 N ATOM 2276 CA CYS B 469 54.278 56.397 50.057 1.00 32.83 C ATOM 2277 C CYS B 469 53.887 55.609 51.300 1.00 34.63 C ATOM 2278 O CYS B 469 52.690 55.506 51.557 1.00 35.30 O ATOM 2279 CB CYS B 469 53.543 55.871 48.825 1.00 32.88 C ATOM 2280 SG CYS B 469 53.639 54.070 48.623 1.00 36.34 S ATOM 2281 H CYS B 469 56.344 55.704 49.986 1.00 0.00 H ATOM 2282 N PHE B 470 54.842 55.008 52.022 1.00 30.17 N ATOM 2283 CA PHE B 470 54.488 54.252 53.231 1.00 30.47 C ATOM 2284 C PHE B 470 54.200 55.225 54.379 1.00 39.62 C ATOM 2285 O PHE B 470 54.830 56.284 54.469 1.00 40.06 O ATOM 2286 CB PHE B 470 55.568 53.226 53.627 1.00 31.46 C ATOM 2287 CG PHE B 470 55.660 51.917 52.863 1.00 31.76 C ATOM 2288 CD1 PHE B 470 55.104 51.788 51.594 1.00 32.85 C ATOM 2289 CD2 PHE B 470 56.384 50.846 53.376 1.00 34.11 C ATOM 2290 CE1 PHE B 470 55.228 50.593 50.873 1.00 33.33 C ATOM 2291 CE2 PHE B 470 56.503 49.650 52.658 1.00 36.04 C ATOM 2292 CZ PHE B 470 55.923 49.532 51.411 1.00 33.04 C ATOM 2293 H PHE B 470 55.837 55.077 51.726 1.00 0.00 H ATOM 2294 N GLN B 471 53.211 54.893 55.213 1.00 37.02 N ATOM 2295 CA GLN B 471 52.786 55.736 56.332 1.00 36.66 C ATOM 2296 C GLN B 471 52.974 55.005 57.671 1.00 42.61 C ATOM 2297 O GLN B 471 53.565 53.920 57.729 1.00 41.77 O ATOM 2298 CB GLN B 471 51.306 56.135 56.140 1.00 37.23 C ATOM 2299 CG GLN B 471 51.062 57.113 54.991 1.00 44.80 C ATOM 2300 CD GLN B 471 49.618 57.207 54.563 1.00 60.33 C ATOM 2301 OE1 GLN B 471 49.317 57.462 53.394 1.00 62.22 O ATOM 2302 NE2 GLN B 471 48.685 57.041 55.491 1.00 43.77 N ATOM 2303 HE22 GLN B 471 48.959 56.827 56.471 1.00 0.00 H ATOM 2304 HE21 GLN B 471 47.680 57.125 55.239 1.00 0.00 H ATOM 2305 H GLN B 471 52.718 53.990 55.060 1.00 0.00 H ATOM 2306 N GLU B 472 52.514 55.633 58.760 1.00 40.76 N ATOM 2307 CA GLU B 472 52.568 55.029 60.079 1.00 40.00 C ATOM 2308 C GLU B 472 51.248 54.298 60.262 1.00 40.21 C ATOM 2309 O GLU B 472 50.296 54.547 59.517 1.00 38.91 O ATOM 2310 CB GLU B 472 52.756 56.111 61.167 1.00 41.92 C ATOM 2311 H GLU B 472 52.105 56.584 58.658 1.00 0.00 H ATOM 2312 N ARG B 473 51.191 53.387 61.238 1.00 36.19 N ATOM 2313 CA ARG B 473 49.991 52.641 61.577 1.00 47.00 C ATOM 2314 C ARG B 473 48.945 53.602 62.140 1.00 84.82 C ATOM 2315 O ARG B 473 48.023 53.996 61.437 1.00 57.98 O ATOM 2316 CB ARG B 473 50.333 51.626 62.655 1.00 46.64 C ATOM 2317 CG ARG B 473 50.986 50.355 62.163 1.00 51.54 C ATOM 2318 CD ARG B 473 50.359 49.265 62.985 1.00 51.64 C ATOM 2319 NE ARG B 473 51.046 47.983 62.932 1.00 53.53 N ATOM 2320 CZ ARG B 473 50.644 46.953 62.198 1.00 60.04 C ATOM 2321 NH1 ARG B 473 49.594 47.070 61.392 1.00 43.22 N ATOM 2322 NH2 ARG B 473 51.301 45.803 62.248 1.00 39.30 N ATOM 2323 HE ARG B 473 51.906 47.867 63.505 1.00 0.00 H ATOM 2324 HH12 ARG B 473 49.285 46.259 60.820 1.00 0.00 H ATOM 2325 HH11 ARG B 473 49.081 47.973 61.333 1.00 0.00 H ATOM 2326 HH22 ARG B 473 50.984 44.997 61.672 1.00 0.00 H ATOM 2327 HH21 ARG B 473 52.134 45.706 62.863 1.00 0.00 H ATOM 2328 H ARG B 473 52.055 53.201 61.786 1.00 0.00 H TER 2329 ARG B 473 HETATM 2330 ZN ZN A 1 52.691 35.120 40.973 1.00 24.04 ZN HETATM 2331 O HOH 2 23.964 22.447 31.453 1.00 35.19 O HETATM 2332 O HOH 3 15.919 28.239 43.403 1.00 36.54 O HETATM 2333 O HOH 4 15.322 33.068 37.677 1.00 45.29 O HETATM 2334 O HOH 5 17.692 31.736 30.250 1.00 38.22 O HETATM 2335 O HOH 6 19.009 29.912 31.731 1.00 31.69 O HETATM 2336 O HOH 7 43.801 47.260 25.255 1.00 49.99 O HETATM 2337 O HOH 8 38.412 30.310 58.164 1.00 35.01 O HETATM 2338 O HOH 9 63.099 28.663 37.642 1.00 48.66 O HETATM 2339 O HOH 10 59.722 28.902 47.017 1.00 22.13 O HETATM 2340 O HOH 11 41.864 36.072 62.113 1.00 17.31 O HETATM 2341 O HOH 12 47.229 45.091 45.646 1.00 21.71 O HETATM 2342 O HOH 13 59.145 33.569 48.539 1.00 22.59 O HETATM 2343 O HOH 14 60.687 21.545 38.844 1.00 28.99 O HETATM 2344 O HOH 15 60.009 30.390 38.701 1.00 29.90 O HETATM 2345 O HOH 16 42.903 38.471 61.716 1.00 25.21 O HETATM 2346 O HOH 17 43.709 31.410 57.297 1.00 27.98 O HETATM 2347 O HOH 18 40.618 30.854 39.824 1.00 30.04 O HETATM 2348 O HOH 19 51.504 53.144 39.559 1.00 29.53 O HETATM 2349 O HOH 20 46.947 43.474 33.185 1.00 27.62 O HETATM 2350 O HOH 21 47.906 30.411 55.365 1.00 26.78 O HETATM 2351 O HOH 22 61.158 35.367 44.892 1.00 33.37 O HETATM 2352 O HOH 23 47.711 44.421 30.678 1.00 30.79 O HETATM 2353 O HOH 24 67.465 29.715 44.884 1.00 28.71 O HETATM 2354 O HOH 25 65.737 21.725 50.961 1.00 40.95 O HETATM 2355 O HOH 26 42.576 44.525 59.010 1.00 26.52 O HETATM 2356 O HOH 27 50.716 54.011 52.579 1.00 34.51 O HETATM 2357 O HOH 28 39.177 35.865 56.644 1.00 30.96 O HETATM 2358 O HOH 29 44.184 50.561 30.546 1.00 32.94 O HETATM 2359 O HOH 30 49.354 34.919 59.229 1.00 33.65 O HETATM 2360 O HOH 31 44.922 52.670 38.715 1.00 36.48 O HETATM 2361 O HOH 32 49.007 55.485 51.150 1.00 37.66 O HETATM 2362 O HOH 33 62.289 36.654 58.263 1.00 37.81 O HETATM 2363 O HOH 34 57.423 31.656 37.130 1.00 36.39 O HETATM 2364 O HOH 35 44.186 46.591 58.400 1.00 32.10 O HETATM 2365 O HOH 36 62.219 37.984 43.884 1.00 29.26 O HETATM 2366 O HOH 37 42.585 33.964 32.909 1.00 30.49 O HETATM 2367 O HOH 38 40.777 26.686 37.378 1.00 43.50 O HETATM 2368 O HOH 39 44.565 50.206 33.262 1.00 32.34 O HETATM 2369 O HOH 40 58.636 35.712 55.827 1.00 28.50 O HETATM 2370 O HOH 41 55.386 23.374 49.800 1.00 38.93 O HETATM 2371 O HOH 42 41.245 45.106 30.102 1.00 32.78 O HETATM 2372 O HOH 43 53.261 51.853 41.055 1.00 33.80 O HETATM 2373 O HOH 44 44.377 32.211 33.986 1.00 40.32 O HETATM 2374 O HOH 45 45.763 48.571 26.888 1.00 32.90 O HETATM 2375 O HOH 46 47.670 32.946 57.291 1.00 36.35 O HETATM 2376 O HOH 47 46.079 50.971 40.431 1.00 31.08 O HETATM 2377 O HOH 48 65.399 31.076 50.692 1.00 28.74 O HETATM 2378 O HOH 49 52.731 58.160 31.207 1.00 39.78 O HETATM 2379 O HOH 50 58.692 43.483 57.834 1.00 29.66 O HETATM 2380 O HOH 51 53.971 41.012 38.723 1.00 29.91 O HETATM 2381 O HOH 52 56.527 36.089 58.544 1.00 38.13 O HETATM 2382 O HOH 53 45.098 38.451 28.151 1.00 37.98 O HETATM 2383 O HOH 54 60.034 28.321 37.001 1.00 45.98 O HETATM 2384 O HOH 55 34.750 51.245 41.317 1.00 50.52 O HETATM 2385 O HOH 56 39.438 24.752 44.903 1.00 41.04 O HETATM 2386 O HOH 57 47.257 28.976 57.629 1.00 43.96 O HETATM 2387 O HOH 58 35.865 36.769 64.425 1.00 40.22 O HETATM 2388 O HOH 59 43.026 48.885 59.323 1.00 38.30 O HETATM 2389 O HOH 60 52.359 60.164 39.270 1.00 49.63 O HETATM 2390 O HOH 61 64.012 33.254 54.262 1.00 46.27 O HETATM 2391 O HOH 62 45.597 44.696 61.480 1.00 29.33 O HETATM 2392 O HOH 63 45.527 41.809 28.254 1.00 46.25 O HETATM 2393 O HOH 64 54.697 44.617 36.641 1.00 36.24 O HETATM 2394 O HOH 65 61.484 33.794 38.653 1.00 42.91 O HETATM 2395 O HOH 66 57.361 47.313 43.804 1.00 30.62 O HETATM 2396 O HOH 67 48.535 35.286 62.097 1.00 34.71 O HETATM 2397 O HOH 68 45.481 35.968 31.142 1.00 45.29 O HETATM 2398 O HOH 69 58.100 46.712 41.278 1.00 37.55 O HETATM 2399 O HOH 70 55.795 45.737 33.067 1.00 34.11 O HETATM 2400 O HOH 71 68.448 43.828 48.104 1.00 45.29 O HETATM 2401 O HOH 72 60.409 47.639 43.105 1.00 41.02 O HETATM 2402 O HOH 73 66.282 38.209 44.116 1.00 40.52 O HETATM 2403 O HOH 74 52.136 55.188 28.988 1.00 43.00 O HETATM 2404 O HOH 75 57.047 36.895 38.531 1.00 42.39 O HETATM 2405 O HOH 76 68.148 18.518 49.709 1.00 46.87 O HETATM 2406 O HOH 77 41.008 46.904 59.323 1.00 28.01 O HETATM 2407 O HOH 78 56.933 23.226 38.209 1.00 43.76 O HETATM 2408 O HOH 79 60.830 53.246 56.116 1.00 40.62 O HETATM 2409 O HOH 80 30.388 49.409 40.463 1.00 43.50 O HETATM 2410 O HOH 81 35.153 36.525 59.308 1.00 41.43 O HETATM 2411 O HOH 82 52.076 41.308 63.674 1.00 37.03 O HETATM 2412 O HOH 83 64.912 43.106 37.635 1.00 42.03 O HETATM 2413 O HOH 84 55.463 52.195 39.237 1.00 41.50 O HETATM 2414 O HOH 85 57.859 49.925 40.308 1.00 52.26 O HETATM 2415 O HOH 86 51.092 41.355 35.788 1.00 37.57 O HETATM 2416 O HOH 87 64.675 36.798 42.472 1.00 53.35 O HETATM 2417 O HOH 88 47.106 46.003 59.603 1.00 42.25 O HETATM 2418 O HOH 89 41.406 49.746 29.822 1.00 51.66 O HETATM 2419 O HOH 90 56.343 20.874 50.193 1.00 45.58 O HETATM 2420 O HOH 91 27.716 43.208 32.129 1.00 47.90 O HETATM 2421 O HOH 92 45.753 27.146 46.601 1.00 35.61 O HETATM 2422 O HOH 93 53.889 52.716 62.328 1.00 46.85 O HETATM 2423 O HOH 94 62.022 15.916 51.822 1.00 51.41 O HETATM 2424 O HOH 95 43.093 59.194 36.271 1.00 47.64 O HETATM 2425 O HOH 96 54.637 28.964 59.133 1.00 34.95 O HETATM 2426 O HOH 97 32.168 51.059 41.020 1.00 46.58 O HETATM 2427 O HOH 98 55.281 21.630 42.257 1.00 48.95 O HETATM 2428 O HOH 99 37.060 56.799 33.528 1.00 56.55 O HETATM 2429 O HOH 100 53.797 23.386 47.607 1.00 48.08 O HETATM 2430 O HOH 101 52.833 44.138 63.834 1.00 43.19 O HETATM 2431 O HOH 102 44.847 60.271 37.857 1.00 45.97 O HETATM 2432 O HOH 103 33.090 41.661 35.976 1.00 45.60 O HETATM 2433 O HOH 104 52.076 39.470 30.938 1.00 48.51 O HETATM 2434 O HOH 105 52.298 31.241 38.875 1.00 41.49 O HETATM 2435 O HOH 106 57.796 53.415 35.573 1.00 48.41 O HETATM 2436 O HOH 107 66.589 41.721 33.591 1.00 54.12 O HETATM 2437 O HOH 108 47.194 29.307 47.953 1.00 48.87 O HETATM 2438 O HOH 109 54.955 58.915 52.974 1.00 48.13 O HETATM 2439 O HOH 110 59.222 21.297 48.865 1.00 43.21 O HETATM 2440 O HOH 111 32.796 35.114 56.693 1.00 50.21 O HETATM 2441 O HOH 112 50.848 38.255 39.338 1.00 31.53 O HETATM 2442 O HOH 113 40.529 28.794 38.657 1.00 29.20 O HETATM 2443 O HOH 114 43.859 44.341 28.804 1.00 32.95 O HETATM 2444 O HOH 115 37.738 31.484 51.736 1.00 37.81 O HETATM 2445 O HOH 116 53.218 38.517 37.947 1.00 38.97 O HETATM 2446 O HOH 117 34.851 51.125 32.613 1.00 45.21 O HETATM 2447 O HOH 118 48.638 29.818 40.469 1.00 38.92 O HETATM 2448 O HOH 119 45.580 26.671 41.780 1.00 42.19 O HETATM 2449 O HOH 120 43.754 52.755 58.259 1.00 61.21 O HETATM 2450 O HOH 121 40.038 33.140 32.846 1.00 50.96 O HETATM 2451 O HOH 122 56.704 50.014 43.084 1.00 31.68 O HETATM 2452 O HOH 123 49.283 27.268 41.034 1.00 39.65 O HETATM 2453 O HOH 124 40.901 23.613 48.381 1.00 39.90 O HETATM 2454 O HOH 125 31.326 37.544 59.987 1.00 34.83 O HETATM 2455 O HOH 126 45.487 25.794 44.233 1.00 52.16 O HETATM 2456 O HOH 127 56.775 20.126 54.661 1.00 47.21 O HETATM 2457 C1 MOL A 128 50.170 35.061 39.734 1.00 0.19 C HETATM 2458 C2 MOL A 128 51.123 35.306 38.512 1.00 0.21 C HETATM 2459 N4 MOL A 128 50.632 34.816 37.275 1.00 -0.26 N HETATM 2460 C11 MOL A 128 49.184 34.683 36.955 1.00 0.07 C HETATM 2461 C14 MOL A 128 49.019 33.496 35.958 1.00 -0.01 C HETATM 2462 N5 MOL A 128 49.860 33.704 34.739 1.00 0.23 N HETATM 2463 C13 MOL A 128 51.283 34.044 35.086 1.00 -0.01 C HETATM 2464 C12 MOL A 128 51.378 35.231 36.075 1.00 0.07 C HETATM 2465 H7 MOL A 128 52.429 35.434 36.329 1.00 0.06 H HETATM 2466 H8 MOL A 128 50.926 36.132 35.636 1.00 0.06 H HETATM 2467 H9 MOL A 128 51.819 34.309 34.163 1.00 0.08 H HETATM 2468 H10 MOL A 128 51.756 33.163 35.544 1.00 0.08 H HETATM 2469 H3 MOL A 128 49.852 32.858 34.190 1.00 0.20 H HETATM 2470 H4 MOL A 128 49.468 34.459 34.198 1.00 0.20 H HETATM 2471 H11 MOL A 128 49.327 32.564 36.454 1.00 0.08 H HETATM 2472 H12 MOL A 128 47.963 33.421 35.659 1.00 0.08 H HETATM 2473 H5 MOL A 128 48.816 35.612 36.494 1.00 0.06 H HETATM 2474 H6 MOL A 128 48.615 34.480 37.874 1.00 0.06 H HETATM 2475 O10 MOL A 128 52.270 35.824 38.669 1.00 -0.39 O HETATM 2476 C3 MOL A 128 50.175 33.545 39.965 1.00 0.19 C HETATM 2477 C6 MOL A 128 49.050 33.138 40.933 1.00 0.21 C HETATM 2478 O17 MOL A 128 47.902 33.016 40.541 1.00 -0.39 O HETATM 2479 N20 MOL A 128 49.419 33.031 42.257 1.00 -0.28 N HETATM 2480 C25 MOL A 128 48.508 33.196 43.371 1.00 0.04 C HETATM 2481 C23 MOL A 128 48.364 31.856 44.059 1.00 0.01 C HETATM 2482 C9 MOL A 128 49.602 31.435 44.828 1.00 0.01 C HETATM 2483 S8 MOL A 128 51.102 31.063 43.990 1.00 -0.04 S HETATM 2484 C15 MOL A 128 51.901 30.668 45.526 1.00 -0.02 C HETATM 2485 C19 MOL A 128 51.022 30.836 46.602 1.00 -0.09 C HETATM 2486 C18 MOL A 128 49.715 31.267 46.214 1.00 -0.08 C HETATM 2487 H14 MOL A 128 48.901 31.444 46.915 1.00 0.03 H HETATM 2488 H15 MOL A 128 51.307 30.655 47.638 1.00 0.04 H HETATM 2489 H13 MOL A 128 52.935 30.340 45.618 1.00 0.06 H HETATM 2490 H19 MOL A 128 47.520 31.915 44.762 1.00 0.05 H HETATM 2491 H20 MOL A 128 48.152 31.093 43.295 1.00 0.05 H HETATM 2492 H21 MOL A 128 47.528 33.535 43.005 1.00 0.05 H HETATM 2493 H22 MOL A 128 48.912 33.937 44.077 1.00 0.05 H HETATM 2494 H16 MOL A 128 50.376 32.827 42.461 1.00 0.19 H HETATM 2495 O22 MOL A 128 51.491 33.193 40.389 1.00 -0.37 O HETATM 2496 H18 MOL A 128 51.679 33.616 41.219 1.00 0.21 H HETATM 2497 H2 MOL A 128 49.980 33.039 39.008 1.00 0.09 H HETATM 2498 O21 MOL A 128 50.729 35.788 40.842 1.00 -0.37 O HETATM 2499 H17 MOL A 128 50.704 36.719 40.653 1.00 0.21 H HETATM 2500 H1 MOL A 128 49.149 35.413 39.527 1.00 0.09 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 47 46 1054 CONECT 1054 47 1053 CONECT 1335 1334 2280 CONECT 1709 1707 1708 2330 CONECT 1744 1742 1743 2330 CONECT 1799 1797 1798 2330 CONECT 1861 1860 2136 CONECT 2136 1861 2135 CONECT 2280 1335 2279 CONECT 2330 1709 1744 1799 CONECT 2457 2458 2476 2498 2500 CONECT 2458 2457 2459 2475 CONECT 2459 2458 2460 2464 CONECT 2460 2459 2461 2473 2474 CONECT 2461 2460 2462 2471 2472 CONECT 2462 2461 2463 2469 2470 CONECT 2463 2462 2464 2467 2468 CONECT 2464 2459 2463 2465 2466 CONECT 2465 2464 CONECT 2466 2464 CONECT 2467 2463 CONECT 2468 2463 CONECT 2469 2462 CONECT 2470 2462 CONECT 2471 2461 CONECT 2472 2461 CONECT 2473 2460 CONECT 2474 2460 CONECT 2475 2458 CONECT 2476 2457 2477 2495 2497 CONECT 2477 2476 2478 2479 CONECT 2478 2477 CONECT 2479 2477 2480 2494 CONECT 2480 2479 2481 2492 2493 CONECT 2481 2480 2482 2490 2491 CONECT 2482 2481 2483 2486 CONECT 2483 2482 2484 CONECT 2484 2483 2485 2489 CONECT 2485 2484 2486 2488 CONECT 2486 2482 2485 2487 CONECT 2487 2486 CONECT 2488 2485 CONECT 2489 2484 CONECT 2490 2481 CONECT 2491 2481 CONECT 2492 2480 CONECT 2493 2480 CONECT 2494 2479 CONECT 2495 2476 2496 CONECT 2496 2495 CONECT 2497 2476 CONECT 2498 2457 2499 CONECT 2499 2498 CONECT 2500 2457 MASTER 0 0 0 0 0 0 0 0 2499 1 57 20 END
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Structure:
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3kmc
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
TNF-alpha-converting enzyme
Ligand Name
403
EC.Number
E.C.3.4.24.86
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Ki=400nM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Bioorg.Med.Chem.Lett. Vol. 20: pp. 1189-1193
Ligand Properties
Formula
C
1
4
H
2
2
N
3
O
4
S
Molecular Weight
328.407
Exact Mass
328.133
No. of atoms
44
No. of bonds
45
Polar Surface Area
134.72
LOGP Value
-1.18 (
Computed with XLOGP3
)
-0.57 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
Canonical SMILES
O=C([C@@H]([C@H](C(=O)N1CC[NH2+]CC1)O)O)NCCc1cccs1
InChI String
InChI=1S/C14H21N3O4S/c18-11(12(19)14(21)17-7-5-15-6-8-17)13(20)16-4-3-10-2-1-9-22-10/h1-2,9,11-12,15,18-19H,3-8H2,(H,16,20)/p+1/t11-,12-/m1/s1
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
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UniProtKB AC
UniProt accession number (AC):
P78536
Entrez Gene ID
NCBI Entrez Gene ID:
6868
ASD
Information of known allosteric effects of PDB entries
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