Browse entries in the PDBbind-CN Database
HEADER 4QQI_COMPLEX COMPND 4QQI_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 176 LEU TYR PHE GLN GLY SER THR THR PRO LEU LEU ALA ASN SEQRES 2 A 176 SER LEU SER VAL HIS GLN LEU ALA ALA GLN GLY GLU MET SEQRES 3 A 176 LEU TYR LEU ALA THR ARG ILE GLU GLN GLU ASN VAL ILE SEQRES 4 A 176 ASN HIS THR ASP GLU GLU GLY PHE THR PRO LEU MET TRP SEQRES 5 A 176 ALA ALA ALA HIS GLY GLN ILE ALA VAL VAL GLU PHE LEU SEQRES 6 A 176 LEU GLN ASN GLY ALA ASP PRO GLN LEU LEU GLY LYS GLY SEQRES 7 A 176 ARG GLU SER ALA LEU SER LEU ALA CYS SER LYS GLY TYR SEQRES 8 A 176 THR ASP ILE VAL LYS MET LEU LEU ASP CYS GLY VAL ASP SEQRES 9 A 176 VAL ASN GLU TYR ASP TRP ASN GLY GLY THR PRO LEU LEU SEQRES 10 A 176 TYR ALA VAL HIS GLY ASN HIS VAL LYS CYS VAL LYS MET SEQRES 11 A 176 LEU LEU GLU SER GLY ALA ASP PRO THR ILE GLU THR ASP SEQRES 12 A 176 SER GLY TYR ASN SER MET ASP LEU ALA VAL ALA LEU GLY SEQRES 13 A 176 TYR ARG SER VAL GLN GLN VAL ILE GLU SER HIS LEU LEU SEQRES 14 A 176 LYS LEU LEU GLN ASN ILE LYS HET ALA A 256 251 ATOM 1 N LEU A 137 8.408 30.339 34.427 1.00 50.00 N ATOM 2 CA LEU A 137 8.935 31.177 33.299 1.00 49.96 C ATOM 3 C LEU A 137 8.959 32.667 33.685 1.00 49.56 C ATOM 4 O LEU A 137 7.908 33.285 33.893 1.00 50.40 O ATOM 5 CB LEU A 137 8.104 30.957 32.026 1.00 49.23 C ATOM 6 HN3 LEU A 137 7.440 30.640 34.658 1.00 0.00 H ATOM 7 HN2 LEU A 137 9.018 30.459 35.261 1.00 0.00 H ATOM 8 HN1 LEU A 137 8.402 29.339 34.141 1.00 0.00 H ATOM 9 N TYR A 138 10.162 33.234 33.798 1.00 45.71 N ATOM 10 CA TYR A 138 10.325 34.643 34.173 1.00 40.82 C ATOM 11 C TYR A 138 10.088 35.619 33.007 1.00 40.97 C ATOM 12 O TYR A 138 9.471 36.678 33.153 1.00 39.22 O ATOM 13 CB TYR A 138 11.738 34.869 34.702 1.00 42.28 C ATOM 14 CG TYR A 138 11.956 36.290 35.159 1.00 39.95 C ATOM 15 CD1 TYR A 138 11.500 36.714 36.399 1.00 41.47 C ATOM 16 CD2 TYR A 138 12.592 37.210 34.342 1.00 41.56 C ATOM 17 CE1 TYR A 138 11.687 38.009 36.819 1.00 39.62 C ATOM 18 CE2 TYR A 138 12.763 38.514 34.738 1.00 39.25 C ATOM 19 CZ TYR A 138 12.317 38.897 35.984 1.00 40.79 C ATOM 20 OH TYR A 138 12.506 40.173 36.395 1.00 41.23 O ATOM 21 HH TYR A 138 12.131 40.284 37.305 1.00 0.00 H ATOM 22 H TYR A 138 11.009 32.660 33.615 1.00 0.00 H ATOM 23 N PHE A 139 10.636 35.272 31.854 1.00 39.90 N ATOM 24 CA PHE A 139 10.424 36.037 30.630 1.00 34.45 C ATOM 25 C PHE A 139 9.220 35.446 29.864 1.00 31.92 C ATOM 26 O PHE A 139 8.496 34.615 30.393 1.00 29.10 O ATOM 27 CB PHE A 139 11.716 35.963 29.801 1.00 30.48 C ATOM 28 CG PHE A 139 12.865 36.729 30.396 1.00 28.39 C ATOM 29 CD1 PHE A 139 12.799 38.114 30.534 1.00 25.65 C ATOM 30 CD2 PHE A 139 14.023 36.079 30.792 1.00 27.92 C ATOM 31 CE1 PHE A 139 13.871 38.831 31.047 1.00 27.08 C ATOM 32 CE2 PHE A 139 15.111 36.797 31.321 1.00 27.99 C ATOM 33 CZ PHE A 139 15.032 38.171 31.445 1.00 25.62 C ATOM 34 H PHE A 139 11.238 34.425 31.819 1.00 0.00 H ATOM 35 N GLN A 140 9.022 35.876 28.624 1.00 29.50 N ATOM 36 CA GLN A 140 8.027 35.306 27.730 1.00 36.09 C ATOM 37 C GLN A 140 8.236 33.797 27.510 1.00 39.10 C ATOM 38 O GLN A 140 7.278 33.016 27.525 1.00 34.76 O ATOM 39 CB GLN A 140 8.108 36.022 26.381 1.00 43.19 C ATOM 40 CG GLN A 140 7.164 35.508 25.309 1.00 50.64 C ATOM 41 CD GLN A 140 5.823 36.187 25.395 1.00 62.68 C ATOM 42 OE1 GLN A 140 5.028 35.895 26.290 1.00 76.65 O ATOM 43 NE2 GLN A 140 5.570 37.125 24.485 1.00 65.97 N ATOM 44 HE22 GLN A 140 6.272 37.337 23.748 1.00 0.00 H ATOM 45 HE21 GLN A 140 4.670 37.646 24.511 1.00 0.00 H ATOM 46 H GLN A 140 9.608 36.660 28.274 1.00 0.00 H ATOM 47 N GLY A 141 9.484 33.407 27.268 1.00 34.79 N ATOM 48 CA GLY A 141 9.844 32.016 27.084 1.00 33.71 C ATOM 49 C GLY A 141 10.815 31.584 28.153 1.00 34.06 C ATOM 50 O GLY A 141 11.306 32.403 28.930 1.00 33.90 O ATOM 51 H GLY A 141 10.231 34.129 27.209 1.00 0.00 H ATOM 52 N SER A 142 11.092 30.281 28.186 1.00 36.38 N ATOM 53 CA SER A 142 12.143 29.710 29.040 1.00 32.75 C ATOM 54 C SER A 142 13.489 30.227 28.608 1.00 29.10 C ATOM 55 O SER A 142 13.707 30.452 27.438 1.00 32.43 O ATOM 56 CB SER A 142 12.179 28.176 28.899 1.00 32.48 C ATOM 57 OG SER A 142 13.387 27.641 29.437 1.00 30.74 O ATOM 58 HG SER A 142 13.385 26.656 29.334 1.00 0.00 H ATOM 59 H SER A 142 10.540 29.640 27.581 1.00 0.00 H ATOM 60 N THR A 143 14.407 30.363 29.537 1.00 25.78 N ATOM 61 CA THR A 143 15.754 30.734 29.194 1.00 30.38 C ATOM 62 C THR A 143 16.614 29.551 28.769 1.00 27.17 C ATOM 63 O THR A 143 17.700 29.755 28.242 1.00 27.03 O ATOM 64 CB THR A 143 16.462 31.404 30.385 1.00 31.74 C ATOM 65 OG1 THR A 143 16.517 30.485 31.478 1.00 37.38 O ATOM 66 CG2 THR A 143 15.727 32.691 30.820 1.00 32.79 C ATOM 67 HG1 THR A 143 16.972 30.914 32.246 1.00 0.00 H ATOM 68 H THR A 143 14.157 30.200 30.533 1.00 0.00 H ATOM 69 N THR A 144 16.152 28.329 29.025 1.00 25.65 N ATOM 70 CA THR A 144 16.953 27.130 28.765 1.00 25.60 C ATOM 71 C THR A 144 17.387 27.011 27.307 1.00 24.91 C ATOM 72 O THR A 144 18.577 26.815 27.057 1.00 26.94 O ATOM 73 CB THR A 144 16.204 25.855 29.224 1.00 31.20 C ATOM 74 OG1 THR A 144 15.993 25.925 30.641 1.00 33.63 O ATOM 75 CG2 THR A 144 16.975 24.565 28.888 1.00 32.61 C ATOM 76 HG1 THR A 144 15.514 25.113 30.943 1.00 0.00 H ATOM 77 H THR A 144 15.196 28.222 29.420 1.00 0.00 H ATOM 78 N PRO A 145 16.446 27.178 26.335 1.00 25.04 N ATOM 79 CA PRO A 145 16.826 27.179 24.901 1.00 22.54 C ATOM 80 C PRO A 145 17.919 28.183 24.473 1.00 23.85 C ATOM 81 O PRO A 145 18.634 27.934 23.505 1.00 19.97 O ATOM 82 CB PRO A 145 15.495 27.469 24.176 1.00 23.96 C ATOM 83 CG PRO A 145 14.435 27.031 25.148 1.00 23.67 C ATOM 84 CD PRO A 145 14.983 27.387 26.498 1.00 24.76 C ATOM 85 N LEU A 146 18.052 29.299 25.193 1.00 23.06 N ATOM 86 CA LEU A 146 19.071 30.298 24.889 1.00 19.49 C ATOM 87 C LEU A 146 20.415 29.945 25.489 1.00 22.03 C ATOM 88 O LEU A 146 21.424 30.598 25.172 1.00 23.78 O ATOM 89 CB LEU A 146 18.661 31.661 25.444 1.00 19.35 C ATOM 90 CG LEU A 146 17.461 32.352 24.803 1.00 18.97 C ATOM 91 CD1 LEU A 146 16.157 31.688 25.230 1.00 18.66 C ATOM 92 CD2 LEU A 146 17.434 33.841 25.156 1.00 19.33 C ATOM 93 H LEU A 146 17.410 29.461 25.995 1.00 0.00 H ATOM 94 N LEU A 147 20.438 28.976 26.409 1.00 20.76 N ATOM 95 CA LEU A 147 21.684 28.536 27.020 1.00 21.92 C ATOM 96 C LEU A 147 22.257 27.328 26.254 1.00 24.05 C ATOM 97 O LEU A 147 23.383 26.851 26.514 1.00 20.49 O ATOM 98 CB LEU A 147 21.438 28.204 28.493 1.00 25.41 C ATOM 99 CG LEU A 147 21.133 29.450 29.355 1.00 28.80 C ATOM 100 CD1 LEU A 147 20.976 29.037 30.807 1.00 29.86 C ATOM 101 CD2 LEU A 147 22.239 30.495 29.204 1.00 26.27 C ATOM 102 H LEU A 147 19.545 28.526 26.695 1.00 0.00 H ATOM 103 N ALA A 148 21.506 26.875 25.259 1.00 22.52 N ATOM 104 CA ALA A 148 21.854 25.668 24.556 1.00 25.11 C ATOM 105 C ALA A 148 23.150 25.781 23.767 1.00 23.88 C ATOM 106 O ALA A 148 23.712 24.750 23.404 1.00 23.16 O ATOM 107 CB ALA A 148 20.712 25.233 23.647 1.00 25.77 C ATOM 108 H ALA A 148 20.652 27.400 24.982 1.00 0.00 H ATOM 109 N ASN A 149 23.660 26.992 23.524 1.00 22.80 N ATOM 110 CA ASN A 149 24.913 27.099 22.786 1.00 24.64 C ATOM 111 C ASN A 149 26.158 26.736 23.581 1.00 24.81 C ATOM 112 O ASN A 149 27.260 26.753 23.035 1.00 26.96 O ATOM 113 CB ASN A 149 25.083 28.479 22.134 1.00 27.52 C ATOM 114 CG ASN A 149 26.114 28.479 21.005 1.00 31.62 C ATOM 115 OD1 ASN A 149 26.320 27.473 20.312 1.00 32.81 O ATOM 116 ND2 ASN A 149 26.777 29.612 20.821 1.00 32.55 N ATOM 117 HD22 ASN A 149 26.576 30.436 21.423 1.00 0.00 H ATOM 118 HD21 ASN A 149 27.498 29.677 20.074 1.00 0.00 H ATOM 119 H ASN A 149 23.170 27.847 23.857 1.00 0.00 H ATOM 120 N SER A 150 26.028 26.443 24.868 1.00 27.25 N ATOM 121 CA SER A 150 27.182 25.913 25.611 1.00 29.77 C ATOM 122 C SER A 150 27.321 24.414 25.412 1.00 28.06 C ATOM 123 O SER A 150 28.303 23.845 25.829 1.00 27.25 O ATOM 124 CB SER A 150 27.052 26.143 27.116 1.00 29.08 C ATOM 125 OG SER A 150 26.082 27.121 27.403 1.00 43.09 O ATOM 126 HG SER A 150 25.204 26.826 27.052 1.00 0.00 H ATOM 127 H SER A 150 25.117 26.587 25.348 1.00 0.00 H ATOM 128 N LEU A 151 26.304 23.762 24.866 1.00 26.56 N ATOM 129 CA LEU A 151 26.369 22.312 24.639 1.00 25.41 C ATOM 130 C LEU A 151 27.455 21.992 23.647 1.00 22.71 C ATOM 131 O LEU A 151 27.724 22.766 22.734 1.00 22.07 O ATOM 132 CB LEU A 151 25.016 21.764 24.119 1.00 23.98 C ATOM 133 CG LEU A 151 23.813 21.837 25.069 1.00 24.01 C ATOM 134 CD1 LEU A 151 22.524 21.520 24.341 1.00 21.98 C ATOM 135 CD2 LEU A 151 24.024 20.916 26.264 1.00 28.44 C ATOM 136 H LEU A 151 25.447 24.285 24.594 1.00 0.00 H ATOM 137 N SER A 152 28.069 20.830 23.836 1.00 22.39 N ATOM 138 CA SER A 152 28.912 20.213 22.826 1.00 20.62 C ATOM 139 C SER A 152 28.203 19.974 21.508 1.00 19.42 C ATOM 140 O SER A 152 26.984 19.921 21.431 1.00 18.59 O ATOM 141 CB SER A 152 29.448 18.855 23.329 1.00 22.60 C ATOM 142 OG SER A 152 28.399 17.901 23.443 1.00 23.53 O ATOM 143 HG SER A 152 28.770 17.042 23.767 1.00 0.00 H ATOM 144 H SER A 152 27.941 20.341 24.745 1.00 0.00 H ATOM 145 N VAL A 153 28.996 19.821 20.456 1.00 20.43 N ATOM 146 CA VAL A 153 28.460 19.511 19.132 1.00 21.59 C ATOM 147 C VAL A 153 27.682 18.186 19.150 1.00 20.16 C ATOM 148 O VAL A 153 26.714 18.041 18.421 1.00 18.64 O ATOM 149 CB VAL A 153 29.573 19.469 18.049 1.00 23.02 C ATOM 150 CG1 VAL A 153 30.602 18.379 18.348 1.00 24.45 C ATOM 151 CG2 VAL A 153 28.973 19.265 16.656 1.00 22.27 C ATOM 152 H VAL A 153 30.024 19.924 20.576 1.00 0.00 H ATOM 153 N HIS A 154 28.086 17.247 20.016 1.00 18.36 N ATOM 154 CA HIS A 154 27.407 15.968 20.117 1.00 18.90 C ATOM 155 C HIS A 154 26.043 16.124 20.742 1.00 18.25 C ATOM 156 O HIS A 154 25.080 15.532 20.277 1.00 19.27 O ATOM 157 CB HIS A 154 28.291 14.971 20.891 1.00 19.13 C ATOM 158 CG HIS A 154 29.660 14.851 20.312 1.00 20.34 C ATOM 159 ND1 HIS A 154 30.725 15.577 20.781 1.00 22.59 N ATOM 160 CD2 HIS A 154 30.117 14.161 19.237 1.00 22.48 C ATOM 161 CE1 HIS A 154 31.789 15.336 20.034 1.00 23.77 C ATOM 162 NE2 HIS A 154 31.443 14.489 19.080 1.00 25.39 N ATOM 163 H HIS A 154 28.904 17.439 20.629 1.00 0.00 H ATOM 164 N GLN A 155 25.975 16.897 21.828 1.00 19.04 N ATOM 165 CA GLN A 155 24.710 17.179 22.492 1.00 18.36 C ATOM 166 C GLN A 155 23.759 18.028 21.603 1.00 20.46 C ATOM 167 O GLN A 155 22.537 17.749 21.578 1.00 22.71 O ATOM 168 CB GLN A 155 24.967 17.838 23.861 1.00 21.74 C ATOM 169 CG GLN A 155 25.485 16.876 24.947 1.00 22.44 C ATOM 170 CD GLN A 155 24.489 15.757 25.265 1.00 23.06 C ATOM 171 OE1 GLN A 155 23.303 16.008 25.477 1.00 23.34 O ATOM 172 NE2 GLN A 155 24.964 14.511 25.259 1.00 24.39 N ATOM 173 HE22 GLN A 155 25.973 14.340 25.076 1.00 0.00 H ATOM 174 HE21 GLN A 155 24.325 13.710 25.438 1.00 0.00 H ATOM 175 H GLN A 155 26.850 17.309 22.211 1.00 0.00 H ATOM 176 N LEU A 156 24.298 19.024 20.875 1.00 16.72 N ATOM 177 CA LEU A 156 23.509 19.770 19.882 1.00 18.26 C ATOM 178 C LEU A 156 22.825 18.854 18.881 1.00 19.38 C ATOM 179 O LEU A 156 21.606 18.950 18.618 1.00 19.92 O ATOM 180 CB LEU A 156 24.403 20.756 19.129 1.00 18.78 C ATOM 181 CG LEU A 156 24.935 21.974 19.901 1.00 18.73 C ATOM 182 CD1 LEU A 156 25.763 22.865 18.998 1.00 19.69 C ATOM 183 CD2 LEU A 156 23.786 22.774 20.477 1.00 20.43 C ATOM 184 H LEU A 156 25.298 19.273 21.018 1.00 0.00 H ATOM 185 N ALA A 157 23.628 17.962 18.309 1.00 18.83 N ATOM 186 CA ALA A 157 23.128 16.959 17.375 1.00 19.25 C ATOM 187 C ALA A 157 22.081 16.024 18.012 1.00 20.29 C ATOM 188 O ALA A 157 20.982 15.783 17.450 1.00 19.46 O ATOM 189 CB ALA A 157 24.310 16.153 16.836 1.00 19.40 C ATOM 190 H ALA A 157 24.643 17.980 18.534 1.00 0.00 H ATOM 191 N ALA A 158 22.408 15.503 19.193 1.00 20.60 N ATOM 192 CA ALA A 158 21.477 14.606 19.920 1.00 19.31 C ATOM 193 C ALA A 158 20.138 15.233 20.241 1.00 18.71 C ATOM 194 O ALA A 158 19.100 14.548 20.230 1.00 17.18 O ATOM 195 CB ALA A 158 22.111 14.136 21.217 1.00 19.35 C ATOM 196 H ALA A 158 23.332 15.729 19.613 1.00 0.00 H ATOM 197 N GLN A 159 20.172 16.518 20.587 1.00 19.41 N ATOM 198 CA GLN A 159 18.980 17.218 21.069 1.00 20.51 C ATOM 199 C GLN A 159 18.262 17.974 19.960 1.00 21.31 C ATOM 200 O GLN A 159 17.245 18.606 20.196 1.00 20.47 O ATOM 201 CB GLN A 159 19.345 18.153 22.210 1.00 20.87 C ATOM 202 CG GLN A 159 19.902 17.425 23.424 1.00 23.09 C ATOM 203 CD GLN A 159 20.223 18.358 24.588 1.00 25.74 C ATOM 204 OE1 GLN A 159 19.507 19.310 24.836 1.00 27.55 O ATOM 205 NE2 GLN A 159 21.318 18.085 25.293 1.00 27.57 N ATOM 206 HE22 GLN A 159 21.903 17.261 25.047 1.00 0.00 H ATOM 207 HE21 GLN A 159 21.589 18.696 26.090 1.00 0.00 H ATOM 208 H GLN A 159 21.069 17.039 20.513 1.00 0.00 H ATOM 209 N GLY A 160 18.783 17.914 18.742 1.00 21.56 N ATOM 210 CA GLY A 160 18.062 18.475 17.627 1.00 21.75 C ATOM 211 C GLY A 160 18.206 19.980 17.560 1.00 20.39 C ATOM 212 O GLY A 160 17.321 20.640 17.036 1.00 22.29 O ATOM 213 H GLY A 160 19.708 17.464 18.592 1.00 0.00 H ATOM 214 N GLU A 161 19.305 20.513 18.091 1.00 19.65 N ATOM 215 CA GLU A 161 19.545 21.989 18.097 1.00 19.79 C ATOM 216 C GLU A 161 20.103 22.445 16.746 1.00 17.41 C ATOM 217 O GLU A 161 21.283 22.720 16.616 1.00 18.59 O ATOM 218 CB GLU A 161 20.495 22.363 19.229 1.00 18.11 C ATOM 219 CG GLU A 161 19.884 22.166 20.609 1.00 20.54 C ATOM 220 CD GLU A 161 18.834 23.206 20.943 1.00 23.16 C ATOM 221 OE1 GLU A 161 18.754 24.262 20.265 1.00 27.31 O ATOM 222 OE2 GLU A 161 18.083 22.984 21.902 1.00 24.67 O ATOM 223 H GLU A 161 20.017 19.884 18.514 1.00 0.00 H ATOM 224 N MET A 162 19.240 22.503 15.749 1.00 17.61 N ATOM 225 CA MET A 162 19.637 22.698 14.350 1.00 20.76 C ATOM 226 C MET A 162 20.398 24.002 14.122 1.00 19.17 C ATOM 227 O MET A 162 21.478 24.005 13.513 1.00 17.88 O ATOM 228 CB MET A 162 18.413 22.648 13.435 1.00 22.91 C ATOM 229 CG MET A 162 18.743 22.748 11.943 1.00 31.17 C ATOM 230 SD MET A 162 19.638 21.300 11.297 1.00 37.57 S ATOM 231 CE MET A 162 18.337 20.108 11.545 1.00 32.65 C ATOM 232 H MET A 162 18.228 22.406 15.966 1.00 0.00 H ATOM 233 N LEU A 163 19.865 25.094 14.654 1.00 18.89 N ATOM 234 CA LEU A 163 20.488 26.382 14.427 1.00 19.47 C ATOM 235 C LEU A 163 21.873 26.434 15.026 1.00 19.13 C ATOM 236 O LEU A 163 22.826 26.787 14.332 1.00 22.01 O ATOM 237 CB LEU A 163 19.655 27.541 14.948 1.00 19.14 C ATOM 238 CG LEU A 163 20.386 28.873 14.720 1.00 21.31 C ATOM 239 CD1 LEU A 163 20.301 29.240 13.231 1.00 21.01 C ATOM 240 CD2 LEU A 163 19.841 29.987 15.611 1.00 20.06 C ATOM 241 H LEU A 163 19.003 25.026 15.232 1.00 0.00 H ATOM 242 N TYR A 164 21.994 26.108 16.305 1.00 22.18 N ATOM 243 CA TYR A 164 23.315 26.156 16.971 1.00 23.05 C ATOM 244 C TYR A 164 24.333 25.131 16.416 1.00 24.69 C ATOM 245 O TYR A 164 25.553 25.400 16.360 1.00 25.32 O ATOM 246 CB TYR A 164 23.151 26.037 18.481 1.00 23.48 C ATOM 247 CG TYR A 164 22.347 27.183 19.115 1.00 26.31 C ATOM 248 CD1 TYR A 164 22.015 28.347 18.396 1.00 25.27 C ATOM 249 CD2 TYR A 164 21.957 27.122 20.431 1.00 27.06 C ATOM 250 CE1 TYR A 164 21.283 29.381 18.987 1.00 26.88 C ATOM 251 CE2 TYR A 164 21.245 28.167 21.025 1.00 29.17 C ATOM 252 CZ TYR A 164 20.905 29.296 20.303 1.00 27.65 C ATOM 253 OH TYR A 164 20.152 30.310 20.890 1.00 22.75 O ATOM 254 HH TYR A 164 20.005 31.034 20.231 1.00 0.00 H ATOM 255 H TYR A 164 21.154 25.816 16.845 1.00 0.00 H ATOM 256 N LEU A 165 23.825 23.982 15.985 1.00 19.71 N ATOM 257 CA LEU A 165 24.656 22.971 15.320 1.00 19.64 C ATOM 258 C LEU A 165 25.163 23.473 13.946 1.00 19.76 C ATOM 259 O LEU A 165 26.357 23.399 13.658 1.00 17.36 O ATOM 260 CB LEU A 165 23.836 21.693 15.162 1.00 21.43 C ATOM 261 CG LEU A 165 24.511 20.535 14.409 1.00 23.26 C ATOM 262 CD1 LEU A 165 25.815 20.148 15.111 1.00 21.10 C ATOM 263 CD2 LEU A 165 23.516 19.377 14.295 1.00 22.95 C ATOM 264 H LEU A 165 22.811 23.794 16.122 1.00 0.00 H ATOM 265 N ALA A 166 24.263 24.014 13.120 1.00 18.07 N ATOM 266 CA ALA A 166 24.660 24.542 11.795 1.00 21.33 C ATOM 267 C ALA A 166 25.718 25.631 11.941 1.00 21.73 C ATOM 268 O ALA A 166 26.747 25.634 11.259 1.00 20.65 O ATOM 269 CB ALA A 166 23.461 25.077 11.034 1.00 18.63 C ATOM 270 H ALA A 166 23.266 24.065 13.413 1.00 0.00 H ATOM 271 N THR A 167 25.470 26.538 12.878 1.00 21.11 N ATOM 272 CA THR A 167 26.389 27.637 13.103 1.00 20.77 C ATOM 273 C THR A 167 27.743 27.151 13.581 1.00 20.96 C ATOM 274 O THR A 167 28.768 27.681 13.154 1.00 19.70 O ATOM 275 CB THR A 167 25.781 28.636 14.120 1.00 21.92 C ATOM 276 OG1 THR A 167 24.472 29.035 13.672 1.00 20.88 O ATOM 277 CG2 THR A 167 26.655 29.841 14.284 1.00 22.08 C ATOM 278 HG1 THR A 167 23.891 28.237 13.603 1.00 0.00 H ATOM 279 H THR A 167 24.609 26.460 13.456 1.00 0.00 H ATOM 280 N ARG A 168 27.739 26.168 14.487 1.00 21.48 N ATOM 281 CA ARG A 168 28.975 25.590 15.010 1.00 24.94 C ATOM 282 C ARG A 168 29.783 24.873 13.917 1.00 29.00 C ATOM 283 O ARG A 168 31.021 24.944 13.918 1.00 27.93 O ATOM 284 CB ARG A 168 28.661 24.613 16.136 1.00 25.63 C ATOM 285 CG ARG A 168 29.864 24.084 16.911 1.00 26.21 C ATOM 286 CD ARG A 168 30.311 25.063 17.989 1.00 25.28 C ATOM 287 NE ARG A 168 29.244 25.407 18.941 1.00 26.83 N ATOM 288 CZ ARG A 168 28.903 24.715 20.024 1.00 22.99 C ATOM 289 NH1 ARG A 168 29.491 23.568 20.321 1.00 25.55 N ATOM 290 NH2 ARG A 168 27.929 25.165 20.803 1.00 24.98 N ATOM 291 HE ARG A 168 28.704 26.275 18.749 1.00 0.00 H ATOM 292 HH12 ARG A 168 29.208 23.044 21.174 1.00 0.00 H ATOM 293 HH11 ARG A 168 30.236 23.190 19.702 1.00 0.00 H ATOM 294 HH22 ARG A 168 27.654 24.632 21.653 1.00 0.00 H ATOM 295 HH21 ARG A 168 27.440 26.051 20.565 1.00 0.00 H ATOM 296 H ARG A 168 26.828 25.803 14.830 1.00 0.00 H ATOM 297 N ILE A 169 29.079 24.209 12.993 1.00 28.14 N ATOM 298 CA ILE A 169 29.725 23.548 11.835 1.00 32.63 C ATOM 299 C ILE A 169 30.324 24.569 10.866 1.00 31.68 C ATOM 300 O ILE A 169 31.382 24.338 10.340 1.00 33.59 O ATOM 301 CB ILE A 169 28.747 22.647 11.043 1.00 31.54 C ATOM 302 CG1 ILE A 169 28.310 21.427 11.850 1.00 33.18 C ATOM 303 CG2 ILE A 169 29.351 22.172 9.736 1.00 39.38 C ATOM 304 CD1 ILE A 169 29.409 20.739 12.578 1.00 33.93 C ATOM 305 H ILE A 169 28.045 24.155 13.091 1.00 0.00 H ATOM 306 N GLU A 170 29.642 25.675 10.608 1.00 37.32 N ATOM 307 CA GLU A 170 30.204 26.722 9.739 1.00 39.34 C ATOM 308 C GLU A 170 31.515 27.263 10.256 1.00 37.15 C ATOM 309 O GLU A 170 32.416 27.464 9.491 1.00 36.67 O ATOM 310 CB GLU A 170 29.249 27.897 9.580 1.00 44.63 C ATOM 311 CG GLU A 170 28.291 27.740 8.420 1.00 55.02 C ATOM 312 CD GLU A 170 27.069 28.620 8.562 1.00 62.43 C ATOM 313 OE1 GLU A 170 27.219 29.726 9.132 1.00 64.50 O ATOM 314 OE2 GLU A 170 25.971 28.201 8.118 1.00 60.82 O ATOM 315 H GLU A 170 28.698 25.805 11.024 1.00 0.00 H ATOM 316 N GLN A 171 31.626 27.483 11.558 1.00 43.57 N ATOM 317 CA GLN A 171 32.736 28.261 12.104 1.00 45.63 C ATOM 318 C GLN A 171 33.967 27.438 12.476 1.00 49.19 C ATOM 319 O GLN A 171 35.067 27.991 12.590 1.00 41.28 O ATOM 320 CB GLN A 171 32.249 29.072 13.299 1.00 44.21 C ATOM 321 CG GLN A 171 31.115 30.030 12.925 1.00 50.48 C ATOM 322 CD GLN A 171 30.680 30.911 14.081 1.00 54.90 C ATOM 323 OE1 GLN A 171 31.294 30.883 15.138 1.00 59.84 O ATOM 324 NE2 GLN A 171 29.625 31.709 13.882 1.00 58.03 N ATOM 325 HE22 GLN A 171 29.132 31.700 12.966 1.00 0.00 H ATOM 326 HE21 GLN A 171 29.298 32.338 14.643 1.00 0.00 H ATOM 327 H GLN A 171 30.909 27.094 12.204 1.00 0.00 H ATOM 328 N GLU A 172 33.793 26.129 12.654 1.00 48.06 N ATOM 329 CA GLU A 172 34.914 25.255 13.004 1.00 52.39 C ATOM 330 C GLU A 172 34.802 23.926 12.292 1.00 50.69 C ATOM 331 O GLU A 172 33.693 23.471 11.998 1.00 41.35 O ATOM 332 CB GLU A 172 34.945 25.004 14.508 1.00 58.52 C ATOM 333 CG GLU A 172 35.308 26.228 15.337 1.00 67.94 C ATOM 334 CD GLU A 172 34.805 26.143 16.769 1.00 75.37 C ATOM 335 OE1 GLU A 172 33.676 25.647 16.994 1.00 68.98 O ATOM 336 OE2 GLU A 172 35.535 26.597 17.672 1.00 84.46 O ATOM 337 H GLU A 172 32.843 25.721 12.542 1.00 0.00 H ATOM 338 N ASN A 173 35.951 23.296 12.031 1.00 53.77 N ATOM 339 CA ASN A 173 35.967 21.956 11.435 1.00 53.30 C ATOM 340 C ASN A 173 35.710 20.893 12.490 1.00 42.20 C ATOM 341 O ASN A 173 36.636 20.319 13.063 1.00 40.55 O ATOM 342 CB ASN A 173 37.271 21.667 10.710 1.00 57.82 C ATOM 343 CG ASN A 173 37.179 20.418 9.854 1.00 60.86 C ATOM 344 OD1 ASN A 173 36.953 19.321 10.358 1.00 58.87 O ATOM 345 ND2 ASN A 173 37.324 20.587 8.550 1.00 66.24 N ATOM 346 HD22 ASN A 173 37.515 21.535 8.166 1.00 0.00 H ATOM 347 HD21 ASN A 173 37.247 19.772 7.908 1.00 0.00 H ATOM 348 H ASN A 173 36.852 23.765 12.255 1.00 0.00 H ATOM 349 N VAL A 174 34.433 20.647 12.734 1.00 32.28 N ATOM 350 CA VAL A 174 34.001 19.874 13.897 1.00 31.40 C ATOM 351 C VAL A 174 32.926 18.804 13.537 1.00 26.37 C ATOM 352 O VAL A 174 32.499 18.026 14.410 1.00 22.69 O ATOM 353 CB VAL A 174 33.519 20.880 14.999 1.00 33.32 C ATOM 354 CG1 VAL A 174 32.100 21.387 14.754 1.00 32.73 C ATOM 355 CG2 VAL A 174 33.626 20.298 16.396 1.00 40.99 C ATOM 356 H VAL A 174 33.715 21.015 12.078 1.00 0.00 H ATOM 357 N ILE A 175 32.497 18.765 12.266 1.00 21.05 N ATOM 358 CA ILE A 175 31.359 17.927 11.853 1.00 21.59 C ATOM 359 C ILE A 175 31.623 16.434 12.069 1.00 20.71 C ATOM 360 O ILE A 175 30.685 15.661 12.258 1.00 19.60 O ATOM 361 CB ILE A 175 30.988 18.168 10.373 1.00 22.25 C ATOM 362 CG1 ILE A 175 29.620 17.546 10.041 1.00 22.19 C ATOM 363 CG2 ILE A 175 32.069 17.627 9.441 1.00 22.94 C ATOM 364 CD1 ILE A 175 29.050 17.947 8.704 1.00 22.21 C ATOM 365 H ILE A 175 32.983 19.344 11.552 1.00 0.00 H ATOM 366 N ASN A 176 32.898 16.042 12.014 1.00 20.71 N ATOM 367 CA ASN A 176 33.312 14.641 12.255 1.00 24.08 C ATOM 368 C ASN A 176 34.086 14.435 13.544 1.00 25.45 C ATOM 369 O ASN A 176 34.638 13.345 13.769 1.00 29.12 O ATOM 370 CB ASN A 176 34.199 14.081 11.144 1.00 22.59 C ATOM 371 CG ASN A 176 33.522 14.018 9.824 1.00 21.45 C ATOM 372 OD1 ASN A 176 32.376 13.547 9.677 1.00 19.63 O ATOM 373 ND2 ASN A 176 34.240 14.475 8.824 1.00 22.06 N ATOM 374 HD22 ASN A 176 35.191 14.858 8.999 1.00 0.00 H ATOM 375 HD21 ASN A 176 33.858 14.454 7.857 1.00 0.00 H ATOM 376 H ASN A 176 33.629 16.748 11.793 1.00 0.00 H ATOM 377 N HIS A 177 34.092 15.442 14.404 1.00 24.60 N ATOM 378 CA HIS A 177 34.784 15.367 15.670 1.00 27.19 C ATOM 379 C HIS A 177 34.180 14.301 16.593 1.00 22.76 C ATOM 380 O HIS A 177 32.966 14.231 16.769 1.00 19.93 O ATOM 381 CB HIS A 177 34.741 16.757 16.337 1.00 35.31 C ATOM 382 CG HIS A 177 35.438 16.827 17.666 1.00 44.47 C ATOM 383 ND1 HIS A 177 36.802 16.649 17.808 1.00 48.96 N ATOM 384 CD2 HIS A 177 34.958 17.078 18.909 1.00 43.90 C ATOM 385 CE1 HIS A 177 37.128 16.777 19.081 1.00 47.93 C ATOM 386 NE2 HIS A 177 36.026 17.026 19.770 1.00 47.38 N ATOM 387 H HIS A 177 33.582 16.315 14.160 1.00 0.00 H ATOM 388 N THR A 178 35.039 13.511 17.216 1.00 20.72 N ATOM 389 CA THR A 178 34.584 12.448 18.068 1.00 24.41 C ATOM 390 C THR A 178 34.756 12.807 19.527 1.00 25.92 C ATOM 391 O THR A 178 35.707 13.511 19.897 1.00 25.10 O ATOM 392 CB THR A 178 35.349 11.138 17.807 1.00 24.25 C ATOM 393 OG1 THR A 178 36.735 11.343 18.100 1.00 26.72 O ATOM 394 CG2 THR A 178 35.179 10.707 16.382 1.00 23.88 C ATOM 395 HG1 THR A 178 36.835 11.606 19.049 1.00 0.00 H ATOM 396 H THR A 178 36.060 13.662 17.087 1.00 0.00 H ATOM 397 N ASP A 179 33.826 12.309 20.342 1.00 26.01 N ATOM 398 CA ASP A 179 33.900 12.443 21.802 1.00 26.30 C ATOM 399 C ASP A 179 34.737 11.307 22.371 1.00 26.77 C ATOM 400 O ASP A 179 35.240 10.469 21.626 1.00 28.34 O ATOM 401 CB ASP A 179 32.475 12.470 22.419 1.00 25.28 C ATOM 402 CG ASP A 179 31.716 11.148 22.289 1.00 24.41 C ATOM 403 OD1 ASP A 179 32.319 10.102 21.955 1.00 24.35 O ATOM 404 OD2 ASP A 179 30.479 11.151 22.519 1.00 25.60 O ATOM 405 H ASP A 179 33.016 11.806 19.927 1.00 0.00 H ATOM 406 N GLU A 180 34.846 11.241 23.689 1.00 29.24 N ATOM 407 CA GLU A 180 35.665 10.211 24.343 1.00 31.78 C ATOM 408 C GLU A 180 35.353 8.741 24.033 1.00 30.12 C ATOM 409 O GLU A 180 36.242 7.915 24.185 1.00 34.63 O ATOM 410 CB GLU A 180 35.724 10.435 25.864 1.00 34.96 C ATOM 411 CG GLU A 180 36.773 11.483 26.254 1.00 36.72 C ATOM 412 H GLU A 180 34.340 11.935 24.275 1.00 0.00 H ATOM 413 N GLU A 181 34.145 8.394 23.594 1.00 28.15 N ATOM 414 CA GLU A 181 33.853 7.012 23.180 1.00 26.95 C ATOM 415 C GLU A 181 33.945 6.834 21.646 1.00 23.88 C ATOM 416 O GLU A 181 33.563 5.785 21.090 1.00 23.35 O ATOM 417 CB GLU A 181 32.513 6.533 23.765 1.00 27.19 C ATOM 418 CG GLU A 181 32.476 6.587 25.300 1.00 30.11 C ATOM 419 H GLU A 181 33.394 9.112 23.543 1.00 0.00 H ATOM 420 N GLY A 182 34.514 7.836 20.977 1.00 21.21 N ATOM 421 CA GLY A 182 34.708 7.791 19.521 1.00 20.37 C ATOM 422 C GLY A 182 33.442 8.075 18.708 1.00 20.96 C ATOM 423 O GLY A 182 33.419 7.821 17.511 1.00 18.93 O ATOM 424 H GLY A 182 34.831 8.676 21.502 1.00 0.00 H ATOM 425 N PHE A 183 32.392 8.596 19.357 1.00 18.84 N ATOM 426 CA PHE A 183 31.150 8.904 18.682 1.00 19.29 C ATOM 427 C PHE A 183 31.243 10.276 18.006 1.00 19.11 C ATOM 428 O PHE A 183 31.688 11.265 18.619 1.00 17.84 O ATOM 429 CB PHE A 183 29.949 8.939 19.637 1.00 20.38 C ATOM 430 CG PHE A 183 29.668 7.643 20.362 1.00 22.06 C ATOM 431 CD1 PHE A 183 29.538 6.446 19.681 1.00 22.71 C ATOM 432 CD2 PHE A 183 29.457 7.647 21.734 1.00 24.08 C ATOM 433 CE1 PHE A 183 29.269 5.267 20.358 1.00 25.59 C ATOM 434 CE2 PHE A 183 29.181 6.471 22.425 1.00 26.42 C ATOM 435 CZ PHE A 183 29.091 5.278 21.740 1.00 25.86 C ATOM 436 H PHE A 183 32.472 8.785 20.377 1.00 0.00 H ATOM 437 N THR A 184 30.799 10.299 16.752 1.00 17.22 N ATOM 438 CA THR A 184 30.617 11.509 15.941 1.00 16.26 C ATOM 439 C THR A 184 29.234 12.117 16.200 1.00 15.75 C ATOM 440 O THR A 184 28.340 11.419 16.706 1.00 15.27 O ATOM 441 CB THR A 184 30.624 11.137 14.446 1.00 15.82 C ATOM 442 OG1 THR A 184 29.585 10.169 14.193 1.00 15.86 O ATOM 443 CG2 THR A 184 31.933 10.576 14.019 1.00 16.57 C ATOM 444 HG1 THR A 184 29.587 9.928 13.233 1.00 0.00 H ATOM 445 H THR A 184 30.562 9.387 16.311 1.00 0.00 H ATOM 446 N PRO A 185 29.030 13.395 15.806 1.00 16.69 N ATOM 447 CA PRO A 185 27.724 14.057 15.884 1.00 16.43 C ATOM 448 C PRO A 185 26.604 13.300 15.146 1.00 16.15 C ATOM 449 O PRO A 185 25.473 13.275 15.585 1.00 18.88 O ATOM 450 CB PRO A 185 27.994 15.383 15.188 1.00 16.38 C ATOM 451 CG PRO A 185 29.393 15.667 15.484 1.00 15.77 C ATOM 452 CD PRO A 185 30.057 14.337 15.347 1.00 16.34 C ATOM 453 N LEU A 186 26.938 12.728 13.998 1.00 18.75 N ATOM 454 CA LEU A 186 26.014 11.936 13.209 1.00 20.18 C ATOM 455 C LEU A 186 25.560 10.666 13.985 1.00 18.49 C ATOM 456 O LEU A 186 24.405 10.300 13.960 1.00 18.91 O ATOM 457 CB LEU A 186 26.678 11.580 11.860 1.00 22.39 C ATOM 458 CG LEU A 186 25.835 10.829 10.825 1.00 22.80 C ATOM 459 CD1 LEU A 186 24.675 11.674 10.309 1.00 22.48 C ATOM 460 CD2 LEU A 186 26.723 10.376 9.680 1.00 22.59 C ATOM 461 H LEU A 186 27.909 12.853 13.646 1.00 0.00 H ATOM 462 N MET A 187 26.473 10.022 14.680 1.00 17.86 N ATOM 463 CA MET A 187 26.107 8.905 15.549 1.00 18.53 C ATOM 464 C MET A 187 25.115 9.287 16.621 1.00 19.32 C ATOM 465 O MET A 187 24.154 8.564 16.892 1.00 18.16 O ATOM 466 CB MET A 187 27.353 8.302 16.195 1.00 19.53 C ATOM 467 CG MET A 187 28.181 7.500 15.180 1.00 19.36 C ATOM 468 SD MET A 187 29.728 7.010 15.879 1.00 20.10 S ATOM 469 CE MET A 187 30.658 6.512 14.449 1.00 18.28 C ATOM 470 H MET A 187 27.469 10.312 14.610 1.00 0.00 H ATOM 471 N TRP A 188 25.375 10.410 17.267 1.00 17.96 N ATOM 472 CA TRP A 188 24.476 10.886 18.305 1.00 18.17 C ATOM 473 C TRP A 188 23.139 11.226 17.715 1.00 16.72 C ATOM 474 O TRP A 188 22.110 10.870 18.255 1.00 16.32 O ATOM 475 CB TRP A 188 25.083 12.119 18.994 1.00 18.62 C ATOM 476 CG TRP A 188 26.064 11.793 20.090 1.00 19.43 C ATOM 477 CD1 TRP A 188 27.411 11.621 19.974 1.00 19.77 C ATOM 478 CD2 TRP A 188 25.757 11.632 21.474 1.00 18.37 C ATOM 479 NE1 TRP A 188 27.957 11.349 21.201 1.00 19.73 N ATOM 480 CE2 TRP A 188 26.961 11.355 22.140 1.00 18.56 C ATOM 481 CE3 TRP A 188 24.568 11.676 22.215 1.00 20.96 C ATOM 482 CZ2 TRP A 188 27.028 11.144 23.529 1.00 18.93 C ATOM 483 CZ3 TRP A 188 24.636 11.458 23.610 1.00 18.96 C ATOM 484 CH2 TRP A 188 25.855 11.200 24.239 1.00 19.14 C ATOM 485 HE1 TRP A 188 28.964 11.168 21.388 1.00 0.00 H ATOM 486 H TRP A 188 26.228 10.956 17.031 1.00 0.00 H ATOM 487 N ALA A 189 23.142 11.923 16.583 1.00 18.17 N ATOM 488 CA ALA A 189 21.877 12.279 15.942 1.00 18.03 C ATOM 489 C ALA A 189 21.075 11.022 15.573 1.00 18.26 C ATOM 490 O ALA A 189 19.907 10.906 15.916 1.00 20.10 O ATOM 491 CB ALA A 189 22.128 13.164 14.717 1.00 17.55 C ATOM 492 H ALA A 189 24.043 12.215 16.154 1.00 0.00 H ATOM 493 N ALA A 190 21.709 10.087 14.873 1.00 17.72 N ATOM 494 CA ALA A 190 21.084 8.795 14.501 1.00 18.26 C ATOM 495 C ALA A 190 20.503 8.003 15.684 1.00 19.31 C ATOM 496 O ALA A 190 19.394 7.510 15.608 1.00 21.30 O ATOM 497 CB ALA A 190 22.092 7.937 13.793 1.00 17.41 C ATOM 498 H ALA A 190 22.688 10.270 14.573 1.00 0.00 H ATOM 499 N ALA A 191 21.280 7.891 16.760 1.00 19.55 N ATOM 500 CA ALA A 191 20.916 7.122 17.935 1.00 20.39 C ATOM 501 C ALA A 191 19.735 7.698 18.645 1.00 21.50 C ATOM 502 O ALA A 191 19.060 6.963 19.334 1.00 21.10 O ATOM 503 CB ALA A 191 22.069 7.038 18.909 1.00 20.11 C ATOM 504 H ALA A 191 22.197 8.381 16.758 1.00 0.00 H ATOM 505 N HIS A 192 19.515 9.009 18.491 1.00 22.27 N ATOM 506 CA HIS A 192 18.391 9.713 19.114 1.00 21.14 C ATOM 507 C HIS A 192 17.275 10.003 18.168 1.00 19.69 C ATOM 508 O HIS A 192 16.337 10.649 18.531 1.00 20.62 O ATOM 509 CB HIS A 192 18.867 11.006 19.768 1.00 20.19 C ATOM 510 CG HIS A 192 19.624 10.758 21.016 1.00 20.21 C ATOM 511 ND1 HIS A 192 19.010 10.670 22.242 1.00 21.82 N ATOM 512 CD2 HIS A 192 20.925 10.464 21.223 1.00 21.23 C ATOM 513 CE1 HIS A 192 19.905 10.364 23.161 1.00 21.74 C ATOM 514 NE2 HIS A 192 21.077 10.237 22.568 1.00 22.02 N ATOM 515 H HIS A 192 20.174 9.555 17.900 1.00 0.00 H ATOM 516 N GLY A 193 17.356 9.535 16.943 1.00 20.32 N ATOM 517 CA GLY A 193 16.195 9.646 16.045 1.00 21.06 C ATOM 518 C GLY A 193 15.950 11.020 15.454 1.00 20.63 C ATOM 519 O GLY A 193 14.836 11.320 15.019 1.00 20.70 O ATOM 520 H GLY A 193 18.235 9.089 16.610 1.00 0.00 H ATOM 521 N GLN A 194 16.993 11.838 15.425 1.00 20.74 N ATOM 522 CA GLN A 194 16.908 13.202 14.912 1.00 22.11 C ATOM 523 C GLN A 194 17.081 13.211 13.411 1.00 21.44 C ATOM 524 O GLN A 194 18.165 13.471 12.909 1.00 19.89 O ATOM 525 CB GLN A 194 17.984 14.076 15.569 1.00 22.61 C ATOM 526 CG GLN A 194 17.794 14.248 17.081 1.00 26.15 C ATOM 527 CD GLN A 194 16.613 15.141 17.460 1.00 23.14 C ATOM 528 OE1 GLN A 194 15.980 15.781 16.615 1.00 23.73 O ATOM 529 NE2 GLN A 194 16.320 15.180 18.726 1.00 24.41 N ATOM 530 HE22 GLN A 194 16.878 14.626 19.406 1.00 0.00 H ATOM 531 HE21 GLN A 194 15.527 15.766 19.059 1.00 0.00 H ATOM 532 H GLN A 194 17.908 11.494 15.782 1.00 0.00 H ATOM 533 N ILE A 195 15.984 12.967 12.691 1.00 23.35 N ATOM 534 CA ILE A 195 15.997 12.808 11.218 1.00 24.71 C ATOM 535 C ILE A 195 16.524 14.068 10.499 1.00 25.33 C ATOM 536 O ILE A 195 17.376 13.989 9.587 1.00 22.81 O ATOM 537 CB ILE A 195 14.565 12.469 10.678 1.00 29.70 C ATOM 538 CG1 ILE A 195 13.974 11.274 11.447 1.00 35.66 C ATOM 539 CG2 ILE A 195 14.581 12.141 9.190 1.00 27.35 C ATOM 540 CD1 ILE A 195 12.555 10.876 11.055 1.00 36.25 C ATOM 541 H ILE A 195 15.075 12.884 13.189 1.00 0.00 H ATOM 542 N ALA A 196 16.012 15.239 10.907 1.00 24.45 N ATOM 543 CA ALA A 196 16.419 16.495 10.270 1.00 22.56 C ATOM 544 C ALA A 196 17.924 16.732 10.496 1.00 21.78 C ATOM 545 O ALA A 196 18.654 17.150 9.576 1.00 20.74 O ATOM 546 CB ALA A 196 15.588 17.656 10.801 1.00 20.74 C ATOM 547 H ALA A 196 15.320 15.256 11.683 1.00 0.00 H ATOM 548 N VAL A 197 18.412 16.472 11.713 1.00 18.91 N ATOM 549 CA VAL A 197 19.845 16.691 11.949 1.00 20.43 C ATOM 550 C VAL A 197 20.692 15.748 11.087 1.00 20.12 C ATOM 551 O VAL A 197 21.713 16.163 10.498 1.00 23.12 O ATOM 552 CB VAL A 197 20.228 16.498 13.424 1.00 18.92 C ATOM 553 CG1 VAL A 197 21.756 16.488 13.567 1.00 18.27 C ATOM 554 CG2 VAL A 197 19.591 17.600 14.256 1.00 18.95 C ATOM 555 H VAL A 197 17.793 16.124 12.473 1.00 0.00 H ATOM 556 N VAL A 198 20.273 14.475 11.030 1.00 20.05 N ATOM 557 CA VAL A 198 20.960 13.475 10.181 1.00 19.85 C ATOM 558 C VAL A 198 21.041 13.948 8.741 1.00 18.89 C ATOM 559 O VAL A 198 22.117 13.994 8.134 1.00 19.44 O ATOM 560 CB VAL A 198 20.280 12.083 10.244 1.00 19.17 C ATOM 561 CG1 VAL A 198 20.843 11.150 9.199 1.00 19.44 C ATOM 562 CG2 VAL A 198 20.464 11.464 11.621 1.00 19.79 C ATOM 563 H VAL A 198 19.449 14.184 11.594 1.00 0.00 H ATOM 564 N GLU A 199 19.912 14.352 8.207 1.00 20.57 N ATOM 565 CA GLU A 199 19.877 14.859 6.833 1.00 22.60 C ATOM 566 C GLU A 199 20.800 16.031 6.619 1.00 20.83 C ATOM 567 O GLU A 199 21.506 16.089 5.605 1.00 21.37 O ATOM 568 CB GLU A 199 18.467 15.285 6.497 1.00 27.82 C ATOM 569 CG GLU A 199 18.344 16.016 5.185 1.00 31.95 C ATOM 570 CD GLU A 199 16.904 16.076 4.731 1.00 37.64 C ATOM 571 OE1 GLU A 199 16.034 16.499 5.540 1.00 39.47 O ATOM 572 OE2 GLU A 199 16.657 15.670 3.575 1.00 39.38 O ATOM 573 H GLU A 199 19.035 14.312 8.764 1.00 0.00 H ATOM 574 N PHE A 200 20.791 16.957 7.586 1.00 22.28 N ATOM 575 CA PHE A 200 21.613 18.172 7.519 1.00 21.01 C ATOM 576 C PHE A 200 23.093 17.814 7.568 1.00 21.32 C ATOM 577 O PHE A 200 23.875 18.327 6.794 1.00 20.99 O ATOM 578 CB PHE A 200 21.254 19.145 8.649 1.00 21.89 C ATOM 579 CG PHE A 200 22.243 20.240 8.825 1.00 22.69 C ATOM 580 CD1 PHE A 200 22.152 21.390 8.058 1.00 24.80 C ATOM 581 CD2 PHE A 200 23.284 20.112 9.720 1.00 23.54 C ATOM 582 CE1 PHE A 200 23.087 22.402 8.188 1.00 25.62 C ATOM 583 CE2 PHE A 200 24.228 21.112 9.856 1.00 27.03 C ATOM 584 CZ PHE A 200 24.131 22.259 9.089 1.00 26.60 C ATOM 585 H PHE A 200 20.180 16.810 8.415 1.00 0.00 H ATOM 586 N LEU A 201 23.469 16.899 8.463 1.00 20.89 N ATOM 587 CA LEU A 201 24.861 16.535 8.597 1.00 19.66 C ATOM 588 C LEU A 201 25.354 15.801 7.348 1.00 19.55 C ATOM 589 O LEU A 201 26.444 16.064 6.858 1.00 18.82 O ATOM 590 CB LEU A 201 25.059 15.689 9.860 1.00 22.81 C ATOM 591 CG LEU A 201 24.970 16.416 11.217 1.00 22.22 C ATOM 592 CD1 LEU A 201 24.972 15.412 12.371 1.00 22.92 C ATOM 593 CD2 LEU A 201 26.144 17.380 11.380 1.00 21.97 C ATOM 594 H LEU A 201 22.756 16.445 9.068 1.00 0.00 H ATOM 595 N LEU A 202 24.537 14.911 6.808 1.00 22.24 N ATOM 596 CA LEU A 202 24.914 14.196 5.562 1.00 24.55 C ATOM 597 C LEU A 202 25.013 15.192 4.424 1.00 26.21 C ATOM 598 O LEU A 202 25.993 15.196 3.699 1.00 24.06 O ATOM 599 CB LEU A 202 23.900 13.104 5.195 1.00 24.05 C ATOM 600 CG LEU A 202 23.891 11.886 6.134 1.00 23.10 C ATOM 601 CD1 LEU A 202 22.787 10.956 5.752 1.00 24.47 C ATOM 602 CD2 LEU A 202 25.211 11.156 6.084 1.00 23.88 C ATOM 603 H LEU A 202 23.622 14.710 7.260 1.00 0.00 H ATOM 604 N GLN A 203 24.011 16.055 4.285 1.00 28.13 N ATOM 605 CA GLN A 203 24.066 17.047 3.215 1.00 31.50 C ATOM 606 C GLN A 203 25.246 17.984 3.340 1.00 29.38 C ATOM 607 O GLN A 203 25.608 18.571 2.345 1.00 30.68 O ATOM 608 CB GLN A 203 22.780 17.857 3.099 1.00 37.79 C ATOM 609 CG GLN A 203 21.785 17.256 2.126 1.00 47.97 C ATOM 610 CD GLN A 203 20.411 17.870 2.286 1.00 56.75 C ATOM 611 OE1 GLN A 203 20.281 19.024 2.697 1.00 58.91 O ATOM 612 NE2 GLN A 203 19.372 17.089 1.989 1.00 68.16 N ATOM 613 HE22 GLN A 203 19.531 16.121 1.645 1.00 0.00 H ATOM 614 HE21 GLN A 203 18.403 17.448 2.101 1.00 0.00 H ATOM 615 H GLN A 203 23.197 16.024 4.931 1.00 0.00 H ATOM 616 N ASN A 204 25.858 18.103 4.526 1.00 25.83 N ATOM 617 CA ASN A 204 27.013 18.980 4.727 1.00 25.04 C ATOM 618 C ASN A 204 28.352 18.284 4.934 1.00 23.57 C ATOM 619 O ASN A 204 29.276 18.864 5.496 1.00 25.92 O ATOM 620 CB ASN A 204 26.727 19.909 5.911 1.00 23.45 C ATOM 621 CG ASN A 204 25.754 20.999 5.548 1.00 26.31 C ATOM 622 OD1 ASN A 204 26.182 22.075 5.145 1.00 30.38 O ATOM 623 ND2 ASN A 204 24.452 20.721 5.618 1.00 22.91 N ATOM 624 HD22 ASN A 204 24.136 19.794 5.967 1.00 0.00 H ATOM 625 HD21 ASN A 204 23.752 21.432 5.324 1.00 0.00 H ATOM 626 H ASN A 204 25.500 17.553 5.333 1.00 0.00 H ATOM 627 N GLY A 205 28.469 17.039 4.513 1.00 25.82 N ATOM 628 CA GLY A 205 29.779 16.389 4.460 1.00 26.14 C ATOM 629 C GLY A 205 30.127 15.528 5.668 1.00 26.62 C ATOM 630 O GLY A 205 31.278 15.114 5.804 1.00 25.74 O ATOM 631 H GLY A 205 27.622 16.514 4.216 1.00 0.00 H ATOM 632 N ALA A 206 29.162 15.237 6.546 1.00 21.56 N ATOM 633 CA ALA A 206 29.458 14.378 7.684 1.00 19.90 C ATOM 634 C ALA A 206 29.724 12.976 7.123 1.00 19.79 C ATOM 635 O ALA A 206 28.952 12.477 6.290 1.00 17.55 O ATOM 636 CB ALA A 206 28.297 14.344 8.665 1.00 19.16 C ATOM 637 H ALA A 206 28.205 15.622 6.417 1.00 0.00 H ATOM 638 N ASP A 207 30.829 12.369 7.556 1.00 18.90 N ATOM 639 CA ASP A 207 31.254 11.064 7.072 1.00 19.43 C ATOM 640 C ASP A 207 30.432 9.977 7.792 1.00 18.79 C ATOM 641 O ASP A 207 30.618 9.760 8.993 1.00 19.79 O ATOM 642 CB ASP A 207 32.744 10.865 7.334 1.00 20.24 C ATOM 643 CG ASP A 207 33.261 9.535 6.812 1.00 22.30 C ATOM 644 OD1 ASP A 207 32.439 8.701 6.369 1.00 19.41 O ATOM 645 OD2 ASP A 207 34.500 9.341 6.847 1.00 20.09 O ATOM 646 H ASP A 207 31.413 12.849 8.271 1.00 0.00 H ATOM 647 N PRO A 208 29.524 9.305 7.060 1.00 19.27 N ATOM 648 CA PRO A 208 28.702 8.262 7.658 1.00 20.06 C ATOM 649 C PRO A 208 29.420 6.903 7.841 1.00 20.15 C ATOM 650 O PRO A 208 28.846 6.011 8.450 1.00 20.75 O ATOM 651 CB PRO A 208 27.541 8.149 6.684 1.00 19.47 C ATOM 652 CG PRO A 208 28.126 8.511 5.358 1.00 19.70 C ATOM 653 CD PRO A 208 29.296 9.404 5.605 1.00 19.01 C ATOM 654 N GLN A 209 30.657 6.749 7.352 1.00 20.02 N ATOM 655 CA GLN A 209 31.363 5.460 7.451 1.00 21.19 C ATOM 656 C GLN A 209 32.133 5.244 8.756 1.00 19.27 C ATOM 657 O GLN A 209 32.499 4.129 9.102 1.00 18.01 O ATOM 658 CB GLN A 209 32.296 5.275 6.267 1.00 22.00 C ATOM 659 CG GLN A 209 31.558 5.403 4.958 1.00 26.16 C ATOM 660 CD GLN A 209 32.412 5.024 3.770 1.00 32.54 C ATOM 661 OE1 GLN A 209 33.626 5.141 3.804 1.00 33.18 O ATOM 662 NE2 GLN A 209 31.769 4.591 2.701 1.00 36.60 N ATOM 663 HE22 GLN A 209 30.733 4.507 2.716 1.00 0.00 H ATOM 664 HE21 GLN A 209 32.299 4.334 1.844 1.00 0.00 H ATOM 665 H GLN A 209 31.128 7.555 6.894 1.00 0.00 H ATOM 666 N LEU A 210 32.364 6.306 9.494 1.00 18.77 N ATOM 667 CA LEU A 210 33.129 6.198 10.722 1.00 18.50 C ATOM 668 C LEU A 210 32.479 5.249 11.744 1.00 17.46 C ATOM 669 O LEU A 210 31.252 5.113 11.837 1.00 15.16 O ATOM 670 CB LEU A 210 33.335 7.568 11.344 1.00 18.33 C ATOM 671 CG LEU A 210 34.152 8.523 10.471 1.00 23.05 C ATOM 672 CD1 LEU A 210 33.963 9.948 10.968 1.00 23.15 C ATOM 673 CD2 LEU A 210 35.628 8.120 10.470 1.00 24.21 C ATOM 674 H LEU A 210 31.996 7.232 9.196 1.00 0.00 H ATOM 675 N LEU A 211 33.349 4.623 12.512 1.00 17.26 N ATOM 676 CA LEU A 211 32.972 3.706 13.525 1.00 17.12 C ATOM 677 C LEU A 211 33.433 4.233 14.854 1.00 15.79 C ATOM 678 O LEU A 211 34.531 4.801 14.958 1.00 15.42 O ATOM 679 CB LEU A 211 33.649 2.358 13.241 1.00 18.28 C ATOM 680 CG LEU A 211 33.215 1.669 11.948 1.00 19.91 C ATOM 681 CD1 LEU A 211 33.872 0.289 11.799 1.00 22.23 C ATOM 682 CD2 LEU A 211 31.716 1.490 11.955 1.00 20.49 C ATOM 683 H LEU A 211 34.362 4.811 12.367 1.00 0.00 H ATOM 684 N GLY A 212 32.631 4.008 15.887 1.00 14.82 N ATOM 685 CA GLY A 212 33.041 4.317 17.250 1.00 15.71 C ATOM 686 C GLY A 212 34.002 3.300 17.825 1.00 16.92 C ATOM 687 O GLY A 212 34.457 2.380 17.118 1.00 18.84 O ATOM 688 H GLY A 212 31.688 3.602 15.720 1.00 0.00 H ATOM 689 N LYS A 213 34.367 3.503 19.097 1.00 18.03 N ATOM 690 CA LYS A 213 35.305 2.639 19.792 1.00 18.51 C ATOM 691 C LYS A 213 34.806 1.203 19.930 1.00 18.98 C ATOM 692 O LYS A 213 35.626 0.282 19.949 1.00 23.40 O ATOM 693 CB LYS A 213 35.659 3.198 21.157 1.00 18.49 C ATOM 694 CG LYS A 213 36.581 4.382 21.064 1.00 17.83 C ATOM 695 CD LYS A 213 37.113 4.783 22.417 1.00 20.05 C ATOM 696 CE LYS A 213 38.179 5.836 22.208 1.00 20.50 C ATOM 697 NZ LYS A 213 38.479 6.534 23.453 1.00 23.05 N ATOM 698 HZ1 LYS A 213 37.617 6.998 23.805 1.00 0.00 H ATOM 699 HZ2 LYS A 213 38.820 5.850 24.159 1.00 0.00 H ATOM 700 HZ3 LYS A 213 39.213 7.250 23.279 1.00 0.00 H ATOM 701 H LYS A 213 33.962 4.313 19.609 1.00 0.00 H ATOM 702 N GLY A 214 33.486 1.005 19.965 1.00 18.68 N ATOM 703 CA GLY A 214 32.875 -0.341 20.021 1.00 17.77 C ATOM 704 C GLY A 214 32.643 -0.908 18.626 1.00 17.79 C ATOM 705 O GLY A 214 32.014 -1.966 18.441 1.00 17.40 O ATOM 706 H GLY A 214 32.859 1.835 19.952 1.00 0.00 H ATOM 707 N ARG A 215 33.211 -0.238 17.637 1.00 17.82 N ATOM 708 CA ARG A 215 32.951 -0.498 16.223 1.00 18.55 C ATOM 709 C ARG A 215 31.491 -0.303 15.821 1.00 18.43 C ATOM 710 O ARG A 215 31.025 -0.910 14.863 1.00 21.42 O ATOM 711 CB ARG A 215 33.519 -1.846 15.782 1.00 18.41 C ATOM 712 CG ARG A 215 35.024 -1.807 15.504 1.00 19.03 C ATOM 713 CD ARG A 215 35.578 -3.171 15.112 1.00 19.69 C ATOM 714 NE ARG A 215 34.829 -3.805 14.028 1.00 20.63 N ATOM 715 CZ ARG A 215 34.980 -3.527 12.734 1.00 22.44 C ATOM 716 NH1 ARG A 215 35.872 -2.628 12.362 1.00 23.91 N ATOM 717 NH2 ARG A 215 34.240 -4.159 11.805 1.00 21.30 N ATOM 718 HE ARG A 215 34.126 -4.527 14.286 1.00 0.00 H ATOM 719 HH12 ARG A 215 35.996 -2.405 11.354 1.00 0.00 H ATOM 720 HH11 ARG A 215 36.451 -2.143 13.077 1.00 0.00 H ATOM 721 HH22 ARG A 215 34.367 -3.934 10.798 1.00 0.00 H ATOM 722 HH21 ARG A 215 33.541 -4.873 12.094 1.00 0.00 H ATOM 723 H ARG A 215 33.882 0.518 17.880 1.00 0.00 H ATOM 724 N GLU A 216 30.794 0.602 16.509 1.00 20.58 N ATOM 725 CA GLU A 216 29.403 0.947 16.136 1.00 20.89 C ATOM 726 C GLU A 216 29.367 2.044 15.063 1.00 21.18 C ATOM 727 O GLU A 216 30.293 2.866 14.960 1.00 16.02 O ATOM 728 CB GLU A 216 28.527 1.325 17.338 1.00 23.37 C ATOM 729 CG GLU A 216 29.019 2.415 18.263 1.00 24.91 C ATOM 730 CD GLU A 216 30.172 2.009 19.196 1.00 26.89 C ATOM 731 OE1 GLU A 216 31.351 2.145 18.785 1.00 25.37 O ATOM 732 OE2 GLU A 216 29.921 1.635 20.360 1.00 24.12 O ATOM 733 H GLU A 216 31.236 1.075 17.323 1.00 0.00 H ATOM 734 N SER A 217 28.325 1.998 14.232 1.00 17.60 N ATOM 735 CA SER A 217 28.098 3.026 13.224 1.00 17.73 C ATOM 736 C SER A 217 26.775 3.722 13.499 1.00 15.97 C ATOM 737 O SER A 217 25.943 3.231 14.232 1.00 16.20 O ATOM 738 CB SER A 217 28.019 2.399 11.841 1.00 18.97 C ATOM 739 OG SER A 217 26.924 1.471 11.808 1.00 18.73 O ATOM 740 HG SER A 217 27.071 0.765 12.486 1.00 0.00 H ATOM 741 H SER A 217 27.655 1.206 14.305 1.00 0.00 H ATOM 742 N ALA A 218 26.593 4.856 12.853 1.00 16.37 N ATOM 743 CA ALA A 218 25.330 5.530 12.813 1.00 15.41 C ATOM 744 C ALA A 218 24.262 4.566 12.300 1.00 14.62 C ATOM 745 O ALA A 218 23.133 4.551 12.778 1.00 16.11 O ATOM 746 CB ALA A 218 25.453 6.750 11.904 1.00 15.72 C ATOM 747 H ALA A 218 27.400 5.279 12.351 1.00 0.00 H ATOM 748 N LEU A 219 24.618 3.751 11.310 1.00 16.34 N ATOM 749 CA LEU A 219 23.673 2.794 10.739 1.00 15.02 C ATOM 750 C LEU A 219 23.252 1.831 11.817 1.00 16.06 C ATOM 751 O LEU A 219 22.035 1.621 12.032 1.00 15.81 O ATOM 752 CB LEU A 219 24.279 2.054 9.540 1.00 15.41 C ATOM 753 CG LEU A 219 23.411 0.970 8.898 1.00 16.12 C ATOM 754 CD1 LEU A 219 22.128 1.542 8.288 1.00 17.06 C ATOM 755 CD2 LEU A 219 24.185 0.177 7.847 1.00 15.09 C ATOM 756 H LEU A 219 25.587 3.796 10.936 1.00 0.00 H ATOM 757 N SER A 220 24.221 1.270 12.539 1.00 16.02 N ATOM 758 CA SER A 220 23.862 0.207 13.503 1.00 17.28 C ATOM 759 C SER A 220 23.062 0.803 14.646 1.00 16.31 C ATOM 760 O SER A 220 22.137 0.168 15.126 1.00 15.51 O ATOM 761 CB SER A 220 25.069 -0.564 14.035 1.00 16.83 C ATOM 762 OG SER A 220 25.846 0.231 14.885 1.00 20.05 O ATOM 763 HG SER A 220 26.618 -0.295 15.212 1.00 0.00 H ATOM 764 H SER A 220 25.210 1.573 12.427 1.00 0.00 H ATOM 765 N LEU A 221 23.390 2.036 15.039 1.00 15.98 N ATOM 766 CA LEU A 221 22.660 2.696 16.117 1.00 17.29 C ATOM 767 C LEU A 221 21.207 2.906 15.696 1.00 18.51 C ATOM 768 O LEU A 221 20.270 2.595 16.465 1.00 22.01 O ATOM 769 CB LEU A 221 23.332 4.037 16.514 1.00 17.75 C ATOM 770 CG LEU A 221 24.647 3.844 17.277 1.00 18.18 C ATOM 771 CD1 LEU A 221 25.539 5.074 17.221 1.00 21.03 C ATOM 772 CD2 LEU A 221 24.347 3.438 18.721 1.00 17.05 C ATOM 773 H LEU A 221 24.175 2.532 14.571 1.00 0.00 H ATOM 774 N ALA A 222 21.013 3.390 14.473 1.00 15.49 N ATOM 775 CA ALA A 222 19.664 3.620 13.990 1.00 17.05 C ATOM 776 C ALA A 222 18.907 2.306 13.765 1.00 18.72 C ATOM 777 O ALA A 222 17.697 2.241 14.054 1.00 19.33 O ATOM 778 CB ALA A 222 19.682 4.465 12.711 1.00 16.06 C ATOM 779 H ALA A 222 21.828 3.604 13.863 1.00 0.00 H ATOM 780 N CYS A 223 19.591 1.270 13.254 1.00 18.29 N ATOM 781 CA CYS A 223 18.947 -0.029 13.089 1.00 20.05 C ATOM 782 C CYS A 223 18.477 -0.583 14.416 1.00 20.08 C ATOM 783 O CYS A 223 17.383 -1.148 14.478 1.00 22.53 O ATOM 784 CB CYS A 223 19.843 -1.061 12.388 1.00 19.69 C ATOM 785 SG CYS A 223 20.095 -0.645 10.661 1.00 22.14 S ATOM 786 H CYS A 223 20.585 1.394 12.974 1.00 0.00 H ATOM 787 N SER A 224 19.288 -0.430 15.462 1.00 19.54 N ATOM 788 CA SER A 224 18.920 -0.861 16.830 1.00 20.71 C ATOM 789 C SER A 224 17.588 -0.281 17.309 1.00 21.73 C ATOM 790 O SER A 224 16.823 -0.943 17.992 1.00 20.47 O ATOM 791 CB SER A 224 20.000 -0.454 17.842 1.00 21.17 C ATOM 792 OG SER A 224 21.077 -1.365 17.837 1.00 22.90 O ATOM 793 HG SER A 224 21.483 -1.389 16.935 1.00 0.00 H ATOM 794 H SER A 224 20.218 0.010 15.311 1.00 0.00 H ATOM 795 N LYS A 225 17.335 0.982 16.977 1.00 22.78 N ATOM 796 CA LYS A 225 16.090 1.657 17.350 1.00 23.34 C ATOM 797 C LYS A 225 14.907 1.515 16.366 1.00 22.73 C ATOM 798 O LYS A 225 13.782 1.904 16.685 1.00 21.42 O ATOM 799 CB LYS A 225 16.398 3.140 17.589 1.00 27.35 C ATOM 800 CG LYS A 225 17.290 3.413 18.800 1.00 27.15 C ATOM 801 CD LYS A 225 16.597 3.007 20.094 1.00 31.00 C ATOM 802 CE LYS A 225 17.288 3.572 21.323 1.00 35.70 C ATOM 803 NZ LYS A 225 16.471 3.268 22.528 1.00 39.04 N ATOM 804 HZ1 LYS A 225 15.531 3.701 22.426 1.00 0.00 H ATOM 805 HZ2 LYS A 225 16.371 2.238 22.626 1.00 0.00 H ATOM 806 HZ3 LYS A 225 16.942 3.654 23.371 1.00 0.00 H ATOM 807 H LYS A 225 18.047 1.509 16.433 1.00 0.00 H ATOM 808 N GLY A 226 15.143 0.933 15.193 1.00 22.81 N ATOM 809 CA GLY A 226 14.144 0.886 14.119 1.00 22.34 C ATOM 810 C GLY A 226 13.845 2.229 13.469 1.00 21.96 C ATOM 811 O GLY A 226 12.732 2.447 13.000 1.00 21.97 O ATOM 812 H GLY A 226 16.072 0.494 15.031 1.00 0.00 H ATOM 813 N TYR A 227 14.809 3.149 13.444 1.00 21.45 N ATOM 814 CA TYR A 227 14.578 4.474 12.817 1.00 20.35 C ATOM 815 C TYR A 227 14.712 4.379 11.301 1.00 20.45 C ATOM 816 O TYR A 227 15.722 4.715 10.697 1.00 21.62 O ATOM 817 CB TYR A 227 15.489 5.541 13.388 1.00 19.93 C ATOM 818 CG TYR A 227 15.301 5.813 14.873 1.00 20.92 C ATOM 819 CD1 TYR A 227 14.030 5.802 15.484 1.00 20.71 C ATOM 820 CD2 TYR A 227 16.393 6.141 15.666 1.00 20.93 C ATOM 821 CE1 TYR A 227 13.878 6.079 16.851 1.00 19.84 C ATOM 822 CE2 TYR A 227 16.251 6.431 17.023 1.00 21.24 C ATOM 823 CZ TYR A 227 14.997 6.400 17.610 1.00 22.32 C ATOM 824 OH TYR A 227 14.910 6.666 18.971 1.00 24.38 O ATOM 825 HH TYR A 227 15.446 6.001 19.471 1.00 0.00 H ATOM 826 H TYR A 227 15.734 2.936 13.869 1.00 0.00 H ATOM 827 N THR A 228 13.643 3.877 10.709 1.00 24.18 N ATOM 828 CA THR A 228 13.580 3.495 9.309 1.00 25.38 C ATOM 829 C THR A 228 14.056 4.593 8.318 1.00 24.91 C ATOM 830 O THR A 228 14.806 4.307 7.390 1.00 21.02 O ATOM 831 CB THR A 228 12.116 3.031 9.025 1.00 27.26 C ATOM 832 OG1 THR A 228 11.791 1.937 9.901 1.00 30.48 O ATOM 833 CG2 THR A 228 11.911 2.589 7.600 1.00 25.75 C ATOM 834 HG1 THR A 228 11.870 2.234 10.842 1.00 0.00 H ATOM 835 H THR A 228 12.787 3.746 11.285 1.00 0.00 H ATOM 836 N ASP A 229 13.627 5.841 8.523 1.00 26.53 N ATOM 837 CA ASP A 229 13.953 6.934 7.584 1.00 25.91 C ATOM 838 C ASP A 229 15.425 7.327 7.688 1.00 23.69 C ATOM 839 O ASP A 229 16.086 7.559 6.676 1.00 24.04 O ATOM 840 CB ASP A 229 13.086 8.172 7.835 1.00 30.94 C ATOM 841 CG ASP A 229 11.607 7.919 7.612 1.00 34.17 C ATOM 842 OD1 ASP A 229 11.247 6.959 6.918 1.00 37.11 O ATOM 843 OD2 ASP A 229 10.793 8.684 8.155 1.00 41.73 O ATOM 844 H ASP A 229 13.050 6.048 9.363 1.00 0.00 H ATOM 845 N ILE A 230 15.952 7.349 8.906 1.00 21.75 N ATOM 846 CA ILE A 230 17.414 7.529 9.105 1.00 20.28 C ATOM 847 C ILE A 230 18.226 6.417 8.449 1.00 18.49 C ATOM 848 O ILE A 230 19.217 6.657 7.771 1.00 19.16 O ATOM 849 CB ILE A 230 17.750 7.638 10.603 1.00 19.62 C ATOM 850 CG1 ILE A 230 17.173 8.970 11.127 1.00 21.41 C ATOM 851 CG2 ILE A 230 19.254 7.561 10.832 1.00 18.62 C ATOM 852 CD1 ILE A 230 17.094 9.102 12.631 1.00 21.12 C ATOM 853 H ILE A 230 15.332 7.239 9.734 1.00 0.00 H ATOM 854 N VAL A 231 17.789 5.191 8.653 1.00 19.27 N ATOM 855 CA VAL A 231 18.421 4.044 8.017 1.00 18.49 C ATOM 856 C VAL A 231 18.405 4.166 6.498 1.00 19.64 C ATOM 857 O VAL A 231 19.420 3.952 5.823 1.00 18.24 O ATOM 858 CB VAL A 231 17.786 2.733 8.497 1.00 18.52 C ATOM 859 CG1 VAL A 231 18.191 1.568 7.594 1.00 18.62 C ATOM 860 CG2 VAL A 231 18.199 2.451 9.953 1.00 18.70 C ATOM 861 H VAL A 231 16.975 5.039 9.282 1.00 0.00 H ATOM 862 N LYS A 232 17.262 4.555 5.954 1.00 23.01 N ATOM 863 CA LYS A 232 17.145 4.712 4.521 1.00 24.23 C ATOM 864 C LYS A 232 18.144 5.737 4.050 1.00 24.98 C ATOM 865 O LYS A 232 18.887 5.481 3.089 1.00 26.42 O ATOM 866 CB LYS A 232 15.697 5.086 4.154 1.00 30.73 C ATOM 867 CG LYS A 232 15.413 5.540 2.709 1.00 34.04 C ATOM 868 CD LYS A 232 16.100 4.735 1.599 1.00 38.63 C ATOM 869 CE LYS A 232 15.681 5.241 0.203 1.00 40.90 C ATOM 870 NZ LYS A 232 14.372 4.667 -0.178 1.00 42.71 N ATOM 871 HZ1 LYS A 232 14.443 3.630 -0.199 1.00 0.00 H ATOM 872 HZ2 LYS A 232 13.654 4.953 0.518 1.00 0.00 H ATOM 873 HZ3 LYS A 232 14.103 5.016 -1.120 1.00 0.00 H ATOM 874 H LYS A 232 16.441 4.749 6.563 1.00 0.00 H ATOM 875 N MET A 233 18.193 6.901 4.718 1.00 25.01 N ATOM 876 CA MET A 233 19.153 7.971 4.322 1.00 22.59 C ATOM 877 C MET A 233 20.581 7.478 4.306 1.00 19.76 C ATOM 878 O MET A 233 21.317 7.726 3.389 1.00 19.71 O ATOM 879 CB MET A 233 19.106 9.166 5.284 1.00 26.06 C ATOM 880 CG MET A 233 18.256 10.327 4.821 1.00 29.73 C ATOM 881 SD MET A 233 18.082 11.615 6.085 1.00 30.52 S ATOM 882 CE MET A 233 16.900 10.868 7.199 1.00 35.46 C ATOM 883 H MET A 233 17.553 7.058 5.522 1.00 0.00 H ATOM 884 N LEU A 234 20.977 6.799 5.365 1.00 20.18 N ATOM 885 CA LEU A 234 22.330 6.245 5.455 1.00 18.24 C ATOM 886 C LEU A 234 22.623 5.179 4.431 1.00 17.69 C ATOM 887 O LEU A 234 23.706 5.158 3.831 1.00 15.74 O ATOM 888 CB LEU A 234 22.541 5.663 6.834 1.00 17.65 C ATOM 889 CG LEU A 234 22.482 6.693 7.962 1.00 17.40 C ATOM 890 CD1 LEU A 234 22.312 5.947 9.268 1.00 16.95 C ATOM 891 CD2 LEU A 234 23.722 7.594 7.997 1.00 18.89 C ATOM 892 H LEU A 234 20.314 6.654 6.153 1.00 0.00 H ATOM 893 N LEU A 235 21.690 4.268 4.235 1.00 17.90 N ATOM 894 CA LEU A 235 21.869 3.278 3.172 1.00 19.67 C ATOM 895 C LEU A 235 22.022 3.943 1.796 1.00 20.58 C ATOM 896 O LEU A 235 22.853 3.498 1.002 1.00 20.12 O ATOM 897 CB LEU A 235 20.718 2.255 3.144 1.00 21.69 C ATOM 898 CG LEU A 235 20.657 1.295 4.321 1.00 20.46 C ATOM 899 CD1 LEU A 235 19.503 0.313 4.194 1.00 21.20 C ATOM 900 CD2 LEU A 235 21.986 0.557 4.458 1.00 23.97 C ATOM 901 H LEU A 235 20.837 4.253 4.829 1.00 0.00 H ATOM 902 N ASP A 236 21.284 5.030 1.541 1.00 20.65 N ATOM 903 CA ASP A 236 21.377 5.741 0.253 1.00 21.84 C ATOM 904 C ASP A 236 22.732 6.412 0.064 1.00 24.61 C ATOM 905 O ASP A 236 23.091 6.752 -1.063 1.00 25.47 O ATOM 906 CB ASP A 236 20.279 6.786 0.086 1.00 23.60 C ATOM 907 CG ASP A 236 18.884 6.177 -0.109 1.00 25.16 C ATOM 908 OD1 ASP A 236 18.764 4.943 -0.287 1.00 25.73 O ATOM 909 OD2 ASP A 236 17.887 6.962 -0.052 1.00 28.31 O ATOM 910 H ASP A 236 20.629 5.381 2.269 1.00 0.00 H ATOM 911 N CYS A 237 23.488 6.594 1.150 1.00 26.71 N ATOM 912 CA CYS A 237 24.881 7.021 1.054 1.00 24.69 C ATOM 913 C CYS A 237 25.842 5.912 0.733 1.00 22.94 C ATOM 914 O CYS A 237 27.014 6.156 0.600 1.00 26.96 O ATOM 915 CB CYS A 237 25.316 7.667 2.352 1.00 28.14 C ATOM 916 SG CYS A 237 24.576 9.268 2.588 1.00 32.48 S ATOM 917 H CYS A 237 23.073 6.427 2.089 1.00 0.00 H ATOM 918 N GLY A 238 25.371 4.682 0.612 1.00 25.87 N ATOM 919 CA GLY A 238 26.257 3.588 0.241 1.00 26.02 C ATOM 920 C GLY A 238 27.209 3.089 1.320 1.00 26.99 C ATOM 921 O GLY A 238 28.221 2.448 0.991 1.00 24.81 O ATOM 922 H GLY A 238 24.362 4.495 0.783 1.00 0.00 H ATOM 923 N VAL A 239 26.886 3.349 2.596 1.00 23.29 N ATOM 924 CA VAL A 239 27.640 2.774 3.725 1.00 24.02 C ATOM 925 C VAL A 239 27.700 1.216 3.714 1.00 21.75 C ATOM 926 O VAL A 239 26.765 0.546 3.259 1.00 19.86 O ATOM 927 CB VAL A 239 27.099 3.246 5.112 1.00 21.78 C ATOM 928 CG1 VAL A 239 27.260 4.756 5.255 1.00 23.31 C ATOM 929 CG2 VAL A 239 25.650 2.814 5.358 1.00 20.85 C ATOM 930 H VAL A 239 26.080 3.975 2.795 1.00 0.00 H ATOM 931 N ASP A 240 28.792 0.680 4.235 1.00 21.85 N ATOM 932 CA ASP A 240 28.935 -0.747 4.504 1.00 24.59 C ATOM 933 C ASP A 240 27.853 -1.199 5.483 1.00 23.43 C ATOM 934 O ASP A 240 27.533 -0.494 6.451 1.00 21.36 O ATOM 935 CB ASP A 240 30.288 -1.035 5.166 1.00 29.23 C ATOM 936 CG ASP A 240 31.492 -0.770 4.245 1.00 34.52 C ATOM 937 OD1 ASP A 240 31.322 -0.623 3.022 1.00 38.49 O ATOM 938 OD2 ASP A 240 32.631 -0.709 4.770 1.00 43.09 O ATOM 939 H ASP A 240 29.589 1.308 4.464 1.00 0.00 H ATOM 940 N VAL A 241 27.302 -2.383 5.255 1.00 19.43 N ATOM 941 CA VAL A 241 26.241 -2.865 6.105 1.00 19.51 C ATOM 942 C VAL A 241 26.603 -4.095 6.937 1.00 19.63 C ATOM 943 O VAL A 241 25.805 -4.480 7.755 1.00 21.08 O ATOM 944 CB VAL A 241 24.911 -3.114 5.328 1.00 19.41 C ATOM 945 CG1 VAL A 241 24.517 -1.870 4.536 1.00 19.53 C ATOM 946 CG2 VAL A 241 25.006 -4.328 4.407 1.00 19.11 C ATOM 947 H VAL A 241 27.636 -2.966 4.461 1.00 0.00 H ATOM 948 N ASN A 242 27.793 -4.678 6.782 1.00 19.77 N ATOM 949 CA ASN A 242 28.131 -5.927 7.480 1.00 18.28 C ATOM 950 C ASN A 242 29.319 -5.826 8.417 1.00 18.86 C ATOM 951 O ASN A 242 29.970 -6.812 8.701 1.00 17.16 O ATOM 952 CB ASN A 242 28.399 -7.033 6.464 1.00 19.86 C ATOM 953 CG ASN A 242 27.158 -7.456 5.708 1.00 20.15 C ATOM 954 OD1 ASN A 242 26.148 -7.854 6.299 1.00 21.05 O ATOM 955 ND2 ASN A 242 27.229 -7.390 4.387 1.00 21.66 N ATOM 956 HD22 ASN A 242 28.098 -7.049 3.929 1.00 0.00 H ATOM 957 HD21 ASN A 242 26.415 -7.679 3.807 1.00 0.00 H ATOM 958 H ASN A 242 28.497 -4.240 6.154 1.00 0.00 H ATOM 959 N GLU A 243 29.593 -4.642 8.936 1.00 19.25 N ATOM 960 CA GLU A 243 30.687 -4.509 9.881 1.00 19.23 C ATOM 961 C GLU A 243 30.325 -5.098 11.256 1.00 18.70 C ATOM 962 O GLU A 243 29.337 -4.741 11.876 1.00 16.36 O ATOM 963 CB GLU A 243 31.106 -3.059 9.992 1.00 20.77 C ATOM 964 CG GLU A 243 31.776 -2.590 8.710 1.00 21.40 C ATOM 965 CD GLU A 243 31.922 -1.065 8.638 1.00 23.47 C ATOM 966 OE1 GLU A 243 30.917 -0.324 8.817 1.00 22.30 O ATOM 967 OE2 GLU A 243 33.046 -0.623 8.373 1.00 21.45 O ATOM 968 H GLU A 243 29.028 -3.810 8.669 1.00 0.00 H ATOM 969 N TYR A 244 31.143 -6.035 11.695 1.00 19.67 N ATOM 970 CA TYR A 244 30.889 -6.811 12.881 1.00 22.31 C ATOM 971 C TYR A 244 31.458 -5.999 14.042 1.00 20.65 C ATOM 972 O TYR A 244 32.627 -5.649 14.034 1.00 22.46 O ATOM 973 CB TYR A 244 31.560 -8.201 12.745 1.00 23.87 C ATOM 974 CG TYR A 244 31.060 -9.227 13.761 1.00 25.24 C ATOM 975 CD1 TYR A 244 29.785 -9.788 13.639 1.00 25.81 C ATOM 976 CD2 TYR A 244 31.861 -9.654 14.829 1.00 24.03 C ATOM 977 CE1 TYR A 244 29.312 -10.726 14.550 1.00 25.50 C ATOM 978 CE2 TYR A 244 31.412 -10.619 15.742 1.00 23.94 C ATOM 979 CZ TYR A 244 30.119 -11.140 15.610 1.00 25.33 C ATOM 980 OH TYR A 244 29.601 -12.078 16.514 1.00 24.22 O ATOM 981 HH TYR A 244 28.678 -12.318 16.247 1.00 0.00 H ATOM 982 H TYR A 244 32.014 -6.222 11.158 1.00 0.00 H ATOM 983 N ASP A 245 30.635 -5.664 15.022 1.00 19.56 N ATOM 984 CA ASP A 245 31.116 -4.816 16.078 1.00 18.37 C ATOM 985 C ASP A 245 31.722 -5.628 17.209 1.00 18.55 C ATOM 986 O ASP A 245 31.697 -6.858 17.163 1.00 20.00 O ATOM 987 CB ASP A 245 30.039 -3.817 16.521 1.00 20.06 C ATOM 988 CG ASP A 245 28.896 -4.438 17.270 1.00 21.89 C ATOM 989 OD1 ASP A 245 29.069 -5.523 17.856 1.00 22.07 O ATOM 990 OD2 ASP A 245 27.811 -3.789 17.337 1.00 21.52 O ATOM 991 H ASP A 245 29.654 -6.009 15.028 1.00 0.00 H ATOM 992 N TRP A 246 32.288 -4.961 18.210 1.00 18.14 N ATOM 993 CA TRP A 246 32.860 -5.648 19.341 1.00 18.65 C ATOM 994 C TRP A 246 31.804 -6.171 20.323 1.00 20.44 C ATOM 995 O TRP A 246 32.169 -6.817 21.264 1.00 24.89 O ATOM 996 CB TRP A 246 33.862 -4.759 20.101 1.00 19.12 C ATOM 997 CG TRP A 246 35.054 -4.377 19.313 1.00 19.37 C ATOM 998 CD1 TRP A 246 35.443 -3.096 18.990 1.00 20.03 C ATOM 999 CD2 TRP A 246 36.012 -5.255 18.691 1.00 18.89 C ATOM 1000 NE1 TRP A 246 36.590 -3.138 18.223 1.00 19.63 N ATOM 1001 CE2 TRP A 246 36.941 -4.442 18.004 1.00 18.34 C ATOM 1002 CE3 TRP A 246 36.168 -6.646 18.640 1.00 20.05 C ATOM 1003 CZ2 TRP A 246 38.015 -4.962 17.299 1.00 20.39 C ATOM 1004 CZ3 TRP A 246 37.240 -7.175 17.909 1.00 22.22 C ATOM 1005 CH2 TRP A 246 38.153 -6.327 17.251 1.00 21.83 C ATOM 1006 HE1 TRP A 246 37.106 -2.308 17.867 1.00 0.00 H ATOM 1007 H TRP A 246 32.319 -3.922 18.177 1.00 0.00 H ATOM 1008 N ASN A 247 30.527 -5.848 20.142 1.00 22.38 N ATOM 1009 CA ASN A 247 29.401 -6.398 20.931 1.00 23.48 C ATOM 1010 C ASN A 247 28.902 -7.721 20.265 1.00 25.29 C ATOM 1011 O ASN A 247 27.937 -8.360 20.725 1.00 29.28 O ATOM 1012 CB ASN A 247 28.280 -5.318 20.985 1.00 26.66 C ATOM 1013 CG ASN A 247 27.095 -5.683 21.898 1.00 31.58 C ATOM 1014 OD1 ASN A 247 27.304 -6.120 23.002 1.00 41.43 O ATOM 1015 ND2 ASN A 247 25.841 -5.460 21.438 1.00 27.81 N ATOM 1016 HD22 ASN A 247 25.698 -5.082 20.480 1.00 0.00 H ATOM 1017 HD21 ASN A 247 25.021 -5.667 22.043 1.00 0.00 H ATOM 1018 H ASN A 247 30.303 -5.161 19.394 1.00 0.00 H ATOM 1019 N GLY A 248 29.532 -8.108 19.152 1.00 21.50 N ATOM 1020 CA GLY A 248 29.116 -9.269 18.403 1.00 19.94 C ATOM 1021 C GLY A 248 27.880 -9.042 17.557 1.00 20.02 C ATOM 1022 O GLY A 248 27.135 -9.974 17.269 1.00 21.32 O ATOM 1023 H GLY A 248 30.347 -7.556 18.816 1.00 0.00 H ATOM 1024 N GLY A 249 27.658 -7.807 17.151 1.00 17.25 N ATOM 1025 CA GLY A 249 26.476 -7.471 16.386 1.00 18.60 C ATOM 1026 C GLY A 249 26.816 -6.842 15.045 1.00 19.21 C ATOM 1027 O GLY A 249 27.983 -6.453 14.802 1.00 18.81 O ATOM 1028 H GLY A 249 28.344 -7.061 17.385 1.00 0.00 H ATOM 1029 N THR A 250 25.788 -6.824 14.179 1.00 18.14 N ATOM 1030 CA THR A 250 25.767 -6.131 12.891 1.00 18.33 C ATOM 1031 C THR A 250 24.431 -5.380 12.821 1.00 18.04 C ATOM 1032 O THR A 250 23.529 -5.680 13.576 1.00 16.51 O ATOM 1033 CB THR A 250 25.864 -7.081 11.657 1.00 19.11 C ATOM 1034 OG1 THR A 250 24.704 -7.928 11.586 1.00 18.55 O ATOM 1035 CG2 THR A 250 27.115 -7.958 11.716 1.00 19.46 C ATOM 1036 HG1 THR A 250 24.780 -8.524 10.799 1.00 0.00 H ATOM 1037 H THR A 250 24.932 -7.349 14.449 1.00 0.00 H ATOM 1038 N PRO A 251 24.307 -4.383 11.920 1.00 18.42 N ATOM 1039 CA PRO A 251 23.024 -3.673 11.751 1.00 17.88 C ATOM 1040 C PRO A 251 21.845 -4.636 11.598 1.00 15.41 C ATOM 1041 O PRO A 251 20.799 -4.446 12.223 1.00 14.87 O ATOM 1042 CB PRO A 251 23.240 -2.886 10.456 1.00 18.80 C ATOM 1043 CG PRO A 251 24.695 -2.642 10.402 1.00 19.48 C ATOM 1044 CD PRO A 251 25.366 -3.823 11.060 1.00 18.74 C ATOM 1045 N LEU A 252 22.022 -5.670 10.769 1.00 15.25 N ATOM 1046 CA LEU A 252 20.939 -6.654 10.527 1.00 15.18 C ATOM 1047 C LEU A 252 20.542 -7.421 11.817 1.00 14.59 C ATOM 1048 O LEU A 252 19.360 -7.572 12.149 1.00 14.48 O ATOM 1049 CB LEU A 252 21.315 -7.601 9.379 1.00 14.60 C ATOM 1050 CG LEU A 252 20.298 -8.694 9.094 1.00 14.17 C ATOM 1051 CD1 LEU A 252 18.984 -8.057 8.724 1.00 14.18 C ATOM 1052 CD2 LEU A 252 20.799 -9.664 8.012 1.00 14.63 C ATOM 1053 H LEU A 252 22.935 -5.786 10.285 1.00 0.00 H ATOM 1054 N LEU A 253 21.531 -7.858 12.572 1.00 15.21 N ATOM 1055 CA LEU A 253 21.245 -8.578 13.827 1.00 16.34 C ATOM 1056 C LEU A 253 20.547 -7.664 14.842 1.00 17.13 C ATOM 1057 O LEU A 253 19.697 -8.124 15.609 1.00 15.60 O ATOM 1058 CB LEU A 253 22.529 -9.180 14.428 1.00 17.52 C ATOM 1059 CG LEU A 253 23.136 -10.411 13.749 1.00 18.11 C ATOM 1060 CD1 LEU A 253 24.570 -10.642 14.181 1.00 19.20 C ATOM 1061 CD2 LEU A 253 22.329 -11.651 14.046 1.00 18.70 C ATOM 1062 H LEU A 253 22.516 -7.694 12.281 1.00 0.00 H ATOM 1063 N TYR A 254 20.902 -6.377 14.856 1.00 15.99 N ATOM 1064 CA TYR A 254 20.179 -5.428 15.709 1.00 16.34 C ATOM 1065 C TYR A 254 18.752 -5.178 15.215 1.00 16.56 C ATOM 1066 O TYR A 254 17.804 -5.034 16.034 1.00 16.18 O ATOM 1067 CB TYR A 254 20.963 -4.098 15.875 1.00 16.75 C ATOM 1068 CG TYR A 254 22.273 -4.258 16.637 1.00 16.28 C ATOM 1069 CD1 TYR A 254 22.295 -4.764 17.936 1.00 16.33 C ATOM 1070 CD2 TYR A 254 23.479 -3.917 16.053 1.00 16.18 C ATOM 1071 CE1 TYR A 254 23.492 -4.922 18.632 1.00 16.34 C ATOM 1072 CE2 TYR A 254 24.679 -4.050 16.725 1.00 17.17 C ATOM 1073 CZ TYR A 254 24.689 -4.556 18.020 1.00 17.67 C ATOM 1074 OH TYR A 254 25.898 -4.695 18.663 1.00 16.78 O ATOM 1075 HH TYR A 254 26.336 -3.810 18.734 1.00 0.00 H ATOM 1076 H TYR A 254 21.690 -6.048 14.263 1.00 0.00 H ATOM 1077 N ALA A 255 18.572 -5.104 13.886 1.00 16.69 N ATOM 1078 CA ALA A 255 17.250 -4.852 13.353 1.00 16.14 C ATOM 1079 C ALA A 255 16.375 -6.072 13.624 1.00 17.95 C ATOM 1080 O ALA A 255 15.199 -5.941 13.995 1.00 16.51 O ATOM 1081 CB ALA A 255 17.319 -4.556 11.863 1.00 19.04 C ATOM 1082 H ALA A 255 19.379 -5.227 13.242 1.00 0.00 H ATOM 1083 N VAL A 256 16.947 -7.266 13.444 1.00 17.27 N ATOM 1084 CA VAL A 256 16.216 -8.485 13.767 1.00 16.74 C ATOM 1085 C VAL A 256 15.856 -8.554 15.255 1.00 16.92 C ATOM 1086 O VAL A 256 14.686 -8.720 15.598 1.00 15.54 O ATOM 1087 CB VAL A 256 16.978 -9.765 13.337 1.00 16.83 C ATOM 1088 CG1 VAL A 256 16.234 -11.015 13.824 1.00 17.47 C ATOM 1089 CG2 VAL A 256 17.130 -9.825 11.812 1.00 16.17 C ATOM 1090 H VAL A 256 17.917 -7.326 13.072 1.00 0.00 H ATOM 1091 N HIS A 257 16.862 -8.454 16.125 1.00 18.37 N ATOM 1092 CA HIS A 257 16.678 -8.433 17.599 1.00 17.52 C ATOM 1093 C HIS A 257 15.565 -7.454 18.057 1.00 17.53 C ATOM 1094 O HIS A 257 14.794 -7.750 18.981 1.00 17.02 O ATOM 1095 CB HIS A 257 18.017 -8.075 18.286 1.00 17.97 C ATOM 1096 CG HIS A 257 18.018 -8.314 19.759 1.00 19.47 C ATOM 1097 ND1 HIS A 257 17.707 -7.332 20.667 1.00 21.65 N ATOM 1098 CD2 HIS A 257 18.251 -9.437 20.482 1.00 20.24 C ATOM 1099 CE1 HIS A 257 17.772 -7.830 21.890 1.00 21.20 C ATOM 1100 NE2 HIS A 257 18.089 -9.107 21.802 1.00 21.59 N ATOM 1101 H HIS A 257 17.830 -8.387 15.750 1.00 0.00 H ATOM 1102 N GLY A 258 15.490 -6.288 17.420 1.00 16.11 N ATOM 1103 CA GLY A 258 14.496 -5.306 17.756 1.00 16.77 C ATOM 1104 C GLY A 258 13.130 -5.514 17.104 1.00 19.69 C ATOM 1105 O GLY A 258 12.205 -4.752 17.355 1.00 20.50 O ATOM 1106 H GLY A 258 16.168 -6.082 16.659 1.00 0.00 H ATOM 1107 N ASN A 259 13.007 -6.527 16.247 1.00 19.63 N ATOM 1108 CA ASN A 259 11.788 -6.788 15.487 1.00 19.49 C ATOM 1109 C ASN A 259 11.380 -5.608 14.637 1.00 19.55 C ATOM 1110 O ASN A 259 10.192 -5.246 14.580 1.00 20.07 O ATOM 1111 CB ASN A 259 10.626 -7.203 16.396 1.00 19.80 C ATOM 1112 CG ASN A 259 9.493 -7.872 15.623 1.00 20.45 C ATOM 1113 OD1 ASN A 259 9.604 -8.180 14.438 1.00 19.71 O ATOM 1114 ND2 ASN A 259 8.404 -8.119 16.307 1.00 20.20 N ATOM 1115 HD22 ASN A 259 8.345 -7.844 17.308 1.00 0.00 H ATOM 1116 HD21 ASN A 259 7.598 -8.590 15.849 1.00 0.00 H ATOM 1117 H ASN A 259 13.819 -7.163 16.113 1.00 0.00 H ATOM 1118 N HIS A 260 12.367 -5.020 13.969 1.00 19.65 N ATOM 1119 CA HIS A 260 12.144 -3.866 13.064 1.00 18.55 C ATOM 1120 C HIS A 260 12.131 -4.350 11.635 1.00 17.45 C ATOM 1121 O HIS A 260 13.148 -4.369 10.979 1.00 17.70 O ATOM 1122 CB HIS A 260 13.226 -2.796 13.279 1.00 19.03 C ATOM 1123 CG HIS A 260 13.313 -2.319 14.691 1.00 18.59 C ATOM 1124 ND1 HIS A 260 12.206 -1.883 15.399 1.00 20.17 N ATOM 1125 CD2 HIS A 260 14.371 -2.199 15.532 1.00 19.20 C ATOM 1126 CE1 HIS A 260 12.578 -1.522 16.619 1.00 18.46 C ATOM 1127 NE2 HIS A 260 13.886 -1.696 16.721 1.00 19.60 N ATOM 1128 H HIS A 260 13.334 -5.383 14.085 1.00 0.00 H ATOM 1129 N VAL A 261 10.954 -4.711 11.159 1.00 19.79 N ATOM 1130 CA VAL A 261 10.775 -5.405 9.888 1.00 23.55 C ATOM 1131 C VAL A 261 11.262 -4.576 8.676 1.00 21.94 C ATOM 1132 O VAL A 261 11.958 -5.095 7.780 1.00 21.70 O ATOM 1133 CB VAL A 261 9.282 -5.792 9.666 1.00 25.09 C ATOM 1134 CG1 VAL A 261 9.119 -6.463 8.307 1.00 27.80 C ATOM 1135 CG2 VAL A 261 8.800 -6.748 10.750 1.00 27.18 C ATOM 1136 H VAL A 261 10.108 -4.489 11.721 1.00 0.00 H ATOM 1137 N LYS A 262 10.875 -3.309 8.628 1.00 21.45 N ATOM 1138 CA LYS A 262 11.231 -2.483 7.484 1.00 23.03 C ATOM 1139 C LYS A 262 12.742 -2.341 7.425 1.00 22.56 C ATOM 1140 O LYS A 262 13.334 -2.445 6.344 1.00 23.37 O ATOM 1141 CB LYS A 262 10.546 -1.118 7.520 1.00 22.32 C ATOM 1142 CG LYS A 262 9.051 -1.178 7.304 1.00 23.72 C ATOM 1143 H LYS A 262 10.317 -2.906 9.408 1.00 0.00 H ATOM 1144 N CYS A 263 13.394 -2.172 8.576 1.00 20.96 N ATOM 1145 CA CYS A 263 14.861 -2.081 8.566 1.00 20.77 C ATOM 1146 C CYS A 263 15.451 -3.379 8.069 1.00 18.31 C ATOM 1147 O CYS A 263 16.401 -3.373 7.305 1.00 19.20 O ATOM 1148 CB CYS A 263 15.456 -1.736 9.932 1.00 21.11 C ATOM 1149 SG CYS A 263 15.095 -0.057 10.476 1.00 28.43 S ATOM 1150 H CYS A 263 12.870 -2.105 9.472 1.00 0.00 H ATOM 1151 N VAL A 264 14.904 -4.509 8.499 1.00 17.40 N ATOM 1152 CA VAL A 264 15.465 -5.770 8.097 1.00 17.84 C ATOM 1153 C VAL A 264 15.377 -5.874 6.573 1.00 19.89 C ATOM 1154 O VAL A 264 16.368 -6.205 5.910 1.00 17.54 O ATOM 1155 CB VAL A 264 14.747 -6.926 8.801 1.00 19.74 C ATOM 1156 CG1 VAL A 264 15.002 -8.259 8.106 1.00 20.79 C ATOM 1157 CG2 VAL A 264 15.163 -6.968 10.272 1.00 18.72 C ATOM 1158 H VAL A 264 14.073 -4.482 9.124 1.00 0.00 H ATOM 1159 N LYS A 265 14.202 -5.570 6.022 1.00 22.45 N ATOM 1160 CA LYS A 265 13.991 -5.631 4.570 1.00 25.40 C ATOM 1161 C LYS A 265 15.004 -4.740 3.848 1.00 22.94 C ATOM 1162 O LYS A 265 15.746 -5.188 2.953 1.00 20.52 O ATOM 1163 CB LYS A 265 12.552 -5.214 4.256 1.00 31.35 C ATOM 1164 CG LYS A 265 12.180 -5.137 2.781 1.00 39.37 C ATOM 1165 CD LYS A 265 11.876 -6.503 2.198 1.00 46.32 C ATOM 1166 CE LYS A 265 11.615 -6.438 0.698 1.00 44.79 C ATOM 1167 NZ LYS A 265 10.187 -6.222 0.385 1.00 46.62 N ATOM 1168 HZ1 LYS A 265 9.625 -7.005 0.776 1.00 0.00 H ATOM 1169 HZ2 LYS A 265 9.873 -5.324 0.806 1.00 0.00 H ATOM 1170 HZ3 LYS A 265 10.061 -6.185 -0.647 1.00 0.00 H ATOM 1171 H LYS A 265 13.414 -5.282 6.637 1.00 0.00 H ATOM 1172 N MET A 266 15.077 -3.481 4.257 1.00 20.33 N ATOM 1173 CA MET A 266 15.976 -2.572 3.580 1.00 21.46 C ATOM 1174 C MET A 266 17.403 -3.091 3.645 1.00 20.82 C ATOM 1175 O MET A 266 18.164 -3.009 2.645 1.00 17.99 O ATOM 1176 CB MET A 266 15.938 -1.178 4.203 1.00 23.79 C ATOM 1177 CG MET A 266 14.721 -0.329 3.860 1.00 27.80 C ATOM 1178 SD MET A 266 15.055 1.330 4.482 1.00 29.78 S ATOM 1179 CE MET A 266 14.602 1.118 6.183 1.00 34.36 C ATOM 1180 H MET A 266 14.496 -3.151 5.054 1.00 0.00 H ATOM 1181 N LEU A 267 17.794 -3.606 4.818 1.00 18.07 N ATOM 1182 CA LEU A 267 19.186 -4.032 4.999 1.00 18.40 C ATOM 1183 C LEU A 267 19.521 -5.219 4.124 1.00 19.22 C ATOM 1184 O LEU A 267 20.577 -5.246 3.493 1.00 15.79 O ATOM 1185 CB LEU A 267 19.471 -4.388 6.444 1.00 20.95 C ATOM 1186 CG LEU A 267 19.566 -3.211 7.406 1.00 20.90 C ATOM 1187 CD1 LEU A 267 19.415 -3.733 8.827 1.00 21.97 C ATOM 1188 CD2 LEU A 267 20.891 -2.483 7.218 1.00 21.26 C ATOM 1189 H LEU A 267 17.113 -3.704 5.598 1.00 0.00 H ATOM 1190 N LEU A 268 18.614 -6.196 4.075 1.00 19.40 N ATOM 1191 CA LEU A 268 18.785 -7.360 3.193 1.00 19.39 C ATOM 1192 C LEU A 268 18.932 -6.920 1.732 1.00 21.63 C ATOM 1193 O LEU A 268 19.810 -7.406 1.019 1.00 20.79 O ATOM 1194 CB LEU A 268 17.616 -8.318 3.336 1.00 18.86 C ATOM 1195 CG LEU A 268 17.551 -9.103 4.664 1.00 19.81 C ATOM 1196 CD1 LEU A 268 16.210 -9.773 4.772 1.00 19.48 C ATOM 1197 CD2 LEU A 268 18.666 -10.126 4.794 1.00 18.71 C ATOM 1198 H LEU A 268 17.766 -6.133 4.674 1.00 0.00 H ATOM 1199 N GLU A 269 18.112 -5.960 1.321 1.00 22.23 N ATOM 1200 CA GLU A 269 18.216 -5.409 -0.023 1.00 25.42 C ATOM 1201 C GLU A 269 19.500 -4.630 -0.308 1.00 22.59 C ATOM 1202 O GLU A 269 19.870 -4.542 -1.450 1.00 20.95 O ATOM 1203 CB GLU A 269 16.993 -4.575 -0.341 1.00 28.73 C ATOM 1204 CG GLU A 269 15.767 -5.454 -0.454 1.00 35.39 C ATOM 1205 CD GLU A 269 14.499 -4.669 -0.680 1.00 44.18 C ATOM 1206 OE1 GLU A 269 14.436 -3.495 -0.244 1.00 50.62 O ATOM 1207 OE2 GLU A 269 13.565 -5.246 -1.275 1.00 53.94 O ATOM 1208 H GLU A 269 17.384 -5.596 1.969 1.00 0.00 H ATOM 1209 N SER A 270 20.180 -4.102 0.715 1.00 20.40 N ATOM 1210 CA SER A 270 21.489 -3.506 0.545 1.00 18.56 C ATOM 1211 C SER A 270 22.653 -4.427 0.800 1.00 18.66 C ATOM 1212 O SER A 270 23.774 -3.962 0.944 1.00 19.78 O ATOM 1213 CB SER A 270 21.629 -2.280 1.418 1.00 20.75 C ATOM 1214 OG SER A 270 20.556 -1.412 1.125 1.00 23.88 O ATOM 1215 HG SER A 270 19.700 -1.872 1.315 1.00 0.00 H ATOM 1216 H SER A 270 19.755 -4.120 1.664 1.00 0.00 H ATOM 1217 N GLY A 271 22.413 -5.734 0.830 1.00 18.38 N ATOM 1218 CA GLY A 271 23.483 -6.720 0.892 1.00 16.81 C ATOM 1219 C GLY A 271 23.825 -7.247 2.278 1.00 17.55 C ATOM 1220 O GLY A 271 24.862 -7.882 2.448 1.00 16.50 O ATOM 1221 H GLY A 271 21.427 -6.064 0.808 1.00 0.00 H ATOM 1222 N ALA A 272 22.960 -7.003 3.266 1.00 17.34 N ATOM 1223 CA ALA A 272 23.209 -7.486 4.632 1.00 17.92 C ATOM 1224 C ALA A 272 23.140 -9.019 4.641 1.00 17.49 C ATOM 1225 O ALA A 272 22.211 -9.621 4.118 1.00 19.26 O ATOM 1226 CB ALA A 272 22.196 -6.899 5.609 1.00 18.77 C ATOM 1227 H ALA A 272 22.095 -6.462 3.065 1.00 0.00 H ATOM 1228 N ASP A 273 24.148 -9.609 5.252 1.00 17.04 N ATOM 1229 CA ASP A 273 24.358 -11.018 5.300 1.00 17.46 C ATOM 1230 C ASP A 273 23.677 -11.614 6.511 1.00 18.25 C ATOM 1231 O ASP A 273 24.123 -11.399 7.654 1.00 18.82 O ATOM 1232 CB ASP A 273 25.862 -11.265 5.369 1.00 17.86 C ATOM 1233 CG ASP A 273 26.214 -12.717 5.293 1.00 17.66 C ATOM 1234 OD1 ASP A 273 25.344 -13.548 5.624 1.00 17.48 O ATOM 1235 OD2 ASP A 273 27.398 -13.016 4.956 1.00 16.90 O ATOM 1236 H ASP A 273 24.841 -9.002 5.734 1.00 0.00 H ATOM 1237 N PRO A 274 22.615 -12.410 6.271 1.00 19.45 N ATOM 1238 CA PRO A 274 21.842 -13.061 7.329 1.00 18.61 C ATOM 1239 C PRO A 274 22.515 -14.281 7.991 1.00 18.45 C ATOM 1240 O PRO A 274 22.025 -14.762 9.021 1.00 17.21 O ATOM 1241 CB PRO A 274 20.563 -13.471 6.589 1.00 20.77 C ATOM 1242 CG PRO A 274 21.032 -13.762 5.208 1.00 20.17 C ATOM 1243 CD PRO A 274 22.034 -12.680 4.937 1.00 20.30 C ATOM 1244 N THR A 275 23.652 -14.736 7.448 1.00 18.19 N ATOM 1245 CA THR A 275 24.375 -15.898 7.989 1.00 17.06 C ATOM 1246 C THR A 275 25.390 -15.528 9.077 1.00 17.13 C ATOM 1247 O THR A 275 25.894 -16.400 9.772 1.00 17.35 O ATOM 1248 CB THR A 275 25.108 -16.675 6.867 1.00 17.44 C ATOM 1249 OG1 THR A 275 26.268 -15.967 6.433 1.00 17.72 O ATOM 1250 CG2 THR A 275 24.189 -16.906 5.673 1.00 18.05 C ATOM 1251 HG1 THR A 275 26.001 -15.080 6.085 1.00 0.00 H ATOM 1252 H THR A 275 24.038 -14.250 6.613 1.00 0.00 H ATOM 1253 N ILE A 276 25.709 -14.244 9.213 1.00 18.57 N ATOM 1254 CA ILE A 276 26.648 -13.789 10.248 1.00 17.87 C ATOM 1255 C ILE A 276 25.993 -14.031 11.621 1.00 18.01 C ATOM 1256 O ILE A 276 24.796 -13.761 11.800 1.00 18.55 O ATOM 1257 CB ILE A 276 27.024 -12.287 10.083 1.00 18.55 C ATOM 1258 CG1 ILE A 276 27.701 -12.023 8.734 1.00 20.14 C ATOM 1259 CG2 ILE A 276 27.896 -11.823 11.225 1.00 19.22 C ATOM 1260 CD1 ILE A 276 29.018 -12.732 8.510 1.00 21.20 C ATOM 1261 H ILE A 276 25.284 -13.545 8.571 1.00 0.00 H ATOM 1262 N GLU A 277 26.781 -14.530 12.574 1.00 17.48 N ATOM 1263 CA GLU A 277 26.303 -14.965 13.891 1.00 18.03 C ATOM 1264 C GLU A 277 26.701 -14.053 15.045 1.00 16.81 C ATOM 1265 O GLU A 277 27.764 -13.473 15.062 1.00 14.37 O ATOM 1266 CB GLU A 277 26.820 -16.401 14.172 1.00 18.63 C ATOM 1267 CG GLU A 277 26.065 -17.459 13.362 1.00 19.22 C ATOM 1268 CD GLU A 277 26.656 -18.853 13.482 1.00 20.35 C ATOM 1269 OE1 GLU A 277 27.538 -19.041 14.310 1.00 23.32 O ATOM 1270 OE2 GLU A 277 26.239 -19.758 12.753 1.00 22.68 O ATOM 1271 H GLU A 277 27.797 -14.616 12.371 1.00 0.00 H ATOM 1272 N THR A 278 25.826 -13.950 16.027 1.00 19.53 N ATOM 1273 CA THR A 278 26.203 -13.364 17.313 1.00 19.75 C ATOM 1274 C THR A 278 27.243 -14.222 18.029 1.00 21.91 C ATOM 1275 O THR A 278 27.559 -15.310 17.597 1.00 19.03 O ATOM 1276 CB THR A 278 25.004 -13.260 18.261 1.00 19.28 C ATOM 1277 OG1 THR A 278 24.502 -14.567 18.537 1.00 17.60 O ATOM 1278 CG2 THR A 278 23.926 -12.421 17.645 1.00 19.55 C ATOM 1279 HG1 THR A 278 23.727 -14.499 19.150 1.00 0.00 H ATOM 1280 H THR A 278 24.854 -14.291 15.885 1.00 0.00 H ATOM 1281 N ASP A 279 27.771 -13.694 19.127 1.00 23.18 N ATOM 1282 CA ASP A 279 28.647 -14.419 20.006 1.00 26.50 C ATOM 1283 C ASP A 279 28.071 -15.763 20.421 1.00 24.41 C ATOM 1284 O ASP A 279 28.816 -16.692 20.549 1.00 25.40 O ATOM 1285 CB ASP A 279 28.899 -13.630 21.310 1.00 32.92 C ATOM 1286 CG ASP A 279 29.632 -12.337 21.089 1.00 37.35 C ATOM 1287 OD1 ASP A 279 30.276 -12.183 20.017 1.00 41.31 O ATOM 1288 OD2 ASP A 279 29.554 -11.471 22.001 1.00 45.47 O ATOM 1289 H ASP A 279 27.539 -12.708 19.362 1.00 0.00 H ATOM 1290 N SER A 280 26.762 -15.871 20.646 1.00 24.17 N ATOM 1291 CA SER A 280 26.164 -17.165 21.077 1.00 25.68 C ATOM 1292 C SER A 280 25.865 -18.151 19.924 1.00 23.34 C ATOM 1293 O SER A 280 25.266 -19.202 20.159 1.00 21.53 O ATOM 1294 CB SER A 280 24.833 -16.934 21.816 1.00 26.47 C ATOM 1295 OG SER A 280 24.983 -15.997 22.846 1.00 29.19 O ATOM 1296 HG SER A 280 25.288 -15.135 22.465 1.00 0.00 H ATOM 1297 H SER A 280 26.150 -15.040 20.519 1.00 0.00 H ATOM 1298 N GLY A 281 26.196 -17.780 18.688 1.00 21.51 N ATOM 1299 CA GLY A 281 25.996 -18.663 17.539 1.00 19.90 C ATOM 1300 C GLY A 281 24.746 -18.382 16.731 1.00 19.51 C ATOM 1301 O GLY A 281 24.500 -19.099 15.758 1.00 18.05 O ATOM 1302 H GLY A 281 26.608 -16.837 18.536 1.00 0.00 H ATOM 1303 N TYR A 282 23.995 -17.328 17.078 1.00 16.19 N ATOM 1304 CA TYR A 282 22.745 -16.976 16.369 1.00 16.65 C ATOM 1305 C TYR A 282 22.925 -16.074 15.130 1.00 16.94 C ATOM 1306 O TYR A 282 23.372 -14.910 15.229 1.00 16.03 O ATOM 1307 CB TYR A 282 21.705 -16.308 17.316 1.00 16.24 C ATOM 1308 CG TYR A 282 21.213 -17.226 18.417 1.00 16.19 C ATOM 1309 CD1 TYR A 282 22.076 -17.633 19.418 1.00 17.40 C ATOM 1310 CD2 TYR A 282 19.913 -17.735 18.432 1.00 16.06 C ATOM 1311 CE1 TYR A 282 21.656 -18.483 20.418 1.00 17.70 C ATOM 1312 CE2 TYR A 282 19.484 -18.597 19.440 1.00 14.66 C ATOM 1313 CZ TYR A 282 20.352 -18.941 20.437 1.00 15.94 C ATOM 1314 OH TYR A 282 20.017 -19.783 21.460 1.00 18.66 O ATOM 1315 HH TYR A 282 20.794 -19.892 22.064 1.00 0.00 H ATOM 1316 H TYR A 282 24.302 -16.735 17.875 1.00 0.00 H ATOM 1317 N ASN A 283 22.572 -16.618 13.968 1.00 15.94 N ATOM 1318 CA ASN A 283 22.448 -15.813 12.765 1.00 17.18 C ATOM 1319 C ASN A 283 21.078 -15.118 12.775 1.00 16.03 C ATOM 1320 O ASN A 283 20.319 -15.220 13.764 1.00 16.58 O ATOM 1321 CB ASN A 283 22.772 -16.614 11.476 1.00 17.75 C ATOM 1322 CG ASN A 283 21.768 -17.726 11.157 1.00 17.78 C ATOM 1323 OD1 ASN A 283 20.534 -17.564 11.289 1.00 16.36 O ATOM 1324 ND2 ASN A 283 22.310 -18.876 10.691 1.00 16.66 N ATOM 1325 HD22 ASN A 283 23.342 -18.964 10.598 1.00 0.00 H ATOM 1326 HD21 ASN A 283 21.694 -19.671 10.426 1.00 0.00 H ATOM 1327 H ASN A 283 22.381 -17.639 13.920 1.00 0.00 H ATOM 1328 N SER A 284 20.790 -14.353 11.735 1.00 14.29 N ATOM 1329 CA SER A 284 19.576 -13.565 11.711 1.00 14.41 C ATOM 1330 C SER A 284 18.310 -14.411 11.722 1.00 14.60 C ATOM 1331 O SER A 284 17.291 -14.016 12.351 1.00 15.63 O ATOM 1332 CB SER A 284 19.612 -12.586 10.535 1.00 15.43 C ATOM 1333 OG SER A 284 20.658 -11.635 10.774 1.00 16.89 O ATOM 1334 HG SER A 284 21.524 -12.110 10.848 1.00 0.00 H ATOM 1335 H SER A 284 21.443 -14.317 10.926 1.00 0.00 H ATOM 1336 N MET A 285 18.351 -15.566 11.049 1.00 14.14 N ATOM 1337 CA MET A 285 17.194 -16.432 11.043 1.00 17.02 C ATOM 1338 C MET A 285 17.058 -17.086 12.403 1.00 17.24 C ATOM 1339 O MET A 285 15.956 -17.141 12.932 1.00 16.00 O ATOM 1340 CB MET A 285 17.255 -17.522 9.961 1.00 18.75 C ATOM 1341 CG MET A 285 15.979 -18.373 9.895 1.00 19.34 C ATOM 1342 SD MET A 285 14.559 -17.402 9.391 1.00 23.60 S ATOM 1343 CE MET A 285 14.638 -17.705 7.622 1.00 25.84 C ATOM 1344 H MET A 285 19.211 -15.840 10.533 1.00 0.00 H ATOM 1345 N ASP A 286 18.171 -17.588 12.949 1.00 16.88 N ATOM 1346 CA ASP A 286 18.162 -18.151 14.293 1.00 16.79 C ATOM 1347 C ASP A 286 17.535 -17.197 15.328 1.00 18.23 C ATOM 1348 O ASP A 286 16.728 -17.627 16.177 1.00 15.88 O ATOM 1349 CB ASP A 286 19.568 -18.477 14.754 1.00 16.91 C ATOM 1350 CG ASP A 286 20.258 -19.497 13.875 1.00 17.41 C ATOM 1351 OD1 ASP A 286 19.553 -20.332 13.223 1.00 18.21 O ATOM 1352 OD2 ASP A 286 21.524 -19.441 13.867 1.00 15.19 O ATOM 1353 H ASP A 286 19.058 -17.576 12.405 1.00 0.00 H ATOM 1354 N LEU A 287 17.910 -15.909 15.273 1.00 18.15 N ATOM 1355 CA LEU A 287 17.360 -14.940 16.219 1.00 16.70 C ATOM 1356 C LEU A 287 15.893 -14.744 15.972 1.00 17.20 C ATOM 1357 O LEU A 287 15.100 -14.678 16.917 1.00 16.43 O ATOM 1358 CB LEU A 287 18.022 -13.574 16.091 1.00 18.15 C ATOM 1359 CG LEU A 287 19.310 -13.223 16.809 1.00 17.93 C ATOM 1360 CD1 LEU A 287 19.542 -11.724 16.715 1.00 17.27 C ATOM 1361 CD2 LEU A 287 19.335 -13.678 18.265 1.00 17.61 C ATOM 1362 H LEU A 287 18.595 -15.599 14.554 1.00 0.00 H ATOM 1363 N ALA A 288 15.528 -14.624 14.692 1.00 17.59 N ATOM 1364 CA ALA A 288 14.127 -14.410 14.326 1.00 19.48 C ATOM 1365 C ALA A 288 13.254 -15.592 14.775 1.00 20.75 C ATOM 1366 O ALA A 288 12.120 -15.419 15.208 1.00 21.27 O ATOM 1367 CB ALA A 288 13.998 -14.199 12.830 1.00 19.62 C ATOM 1368 H ALA A 288 16.250 -14.684 13.945 1.00 0.00 H ATOM 1369 N VAL A 289 13.794 -16.797 14.647 1.00 20.72 N ATOM 1370 CA VAL A 289 13.072 -17.997 15.049 1.00 20.29 C ATOM 1371 C VAL A 289 12.959 -18.069 16.553 1.00 20.12 C ATOM 1372 O VAL A 289 11.855 -18.138 17.090 1.00 18.60 O ATOM 1373 CB VAL A 289 13.754 -19.269 14.539 1.00 20.66 C ATOM 1374 CG1 VAL A 289 13.169 -20.496 15.234 1.00 24.45 C ATOM 1375 CG2 VAL A 289 13.577 -19.387 13.033 1.00 20.75 C ATOM 1376 H VAL A 289 14.752 -16.887 14.252 1.00 0.00 H ATOM 1377 N ALA A 290 14.108 -18.059 17.227 1.00 19.60 N ATOM 1378 CA ALA A 290 14.131 -18.141 18.682 1.00 20.02 C ATOM 1379 C ALA A 290 13.288 -17.036 19.350 1.00 21.49 C ATOM 1380 O ALA A 290 12.709 -17.276 20.386 1.00 20.14 O ATOM 1381 CB ALA A 290 15.554 -18.112 19.194 1.00 18.95 C ATOM 1382 H ALA A 290 15.005 -17.991 16.705 1.00 0.00 H ATOM 1383 N LEU A 291 13.201 -15.830 18.773 1.00 18.33 N ATOM 1384 CA LEU A 291 12.536 -14.766 19.480 1.00 18.11 C ATOM 1385 C LEU A 291 11.090 -14.709 19.148 1.00 18.24 C ATOM 1386 O LEU A 291 10.386 -13.922 19.739 1.00 17.03 O ATOM 1387 CB LEU A 291 13.182 -13.413 19.189 1.00 20.00 C ATOM 1388 CG LEU A 291 14.633 -13.278 19.645 1.00 21.63 C ATOM 1389 CD1 LEU A 291 15.187 -11.901 19.254 1.00 22.35 C ATOM 1390 CD2 LEU A 291 14.766 -13.488 21.121 1.00 22.31 C ATOM 1391 H LEU A 291 13.607 -15.665 17.830 1.00 0.00 H ATOM 1392 N GLY A 292 10.659 -15.514 18.170 1.00 19.34 N ATOM 1393 CA GLY A 292 9.249 -15.618 17.791 1.00 17.19 C ATOM 1394 C GLY A 292 8.793 -14.536 16.852 1.00 18.46 C ATOM 1395 O GLY A 292 7.599 -14.209 16.812 1.00 19.88 O ATOM 1396 H GLY A 292 11.356 -16.091 17.657 1.00 0.00 H ATOM 1397 N TYR A 293 9.731 -13.946 16.102 1.00 20.15 N ATOM 1398 CA TYR A 293 9.398 -12.824 15.228 1.00 20.42 C ATOM 1399 C TYR A 293 8.988 -13.327 13.845 1.00 20.90 C ATOM 1400 O TYR A 293 9.837 -13.564 13.000 1.00 16.00 O ATOM 1401 CB TYR A 293 10.552 -11.823 15.119 1.00 20.75 C ATOM 1402 CG TYR A 293 10.971 -11.143 16.415 1.00 19.70 C ATOM 1403 CD1 TYR A 293 10.096 -10.983 17.492 1.00 19.19 C ATOM 1404 CD2 TYR A 293 12.246 -10.618 16.522 1.00 19.55 C ATOM 1405 CE1 TYR A 293 10.514 -10.374 18.673 1.00 20.30 C ATOM 1406 CE2 TYR A 293 12.682 -10.000 17.675 1.00 20.31 C ATOM 1407 CZ TYR A 293 11.825 -9.869 18.749 1.00 21.59 C ATOM 1408 OH TYR A 293 12.327 -9.221 19.858 1.00 21.93 O ATOM 1409 HH TYR A 293 13.116 -9.714 20.198 1.00 0.00 H ATOM 1410 H TYR A 293 10.711 -14.291 16.142 1.00 0.00 H ATOM 1411 N ARG A 294 7.675 -13.431 13.618 1.00 21.52 N ATOM 1412 CA ARG A 294 7.153 -14.157 12.465 1.00 23.50 C ATOM 1413 C ARG A 294 7.347 -13.400 11.159 1.00 21.37 C ATOM 1414 O ARG A 294 7.784 -13.968 10.151 1.00 19.93 O ATOM 1415 CB ARG A 294 5.692 -14.536 12.701 1.00 28.38 C ATOM 1416 CG ARG A 294 5.527 -15.439 13.914 1.00 36.09 C ATOM 1417 CD ARG A 294 4.114 -15.962 14.109 1.00 44.16 C ATOM 1418 NE ARG A 294 3.144 -14.889 14.355 1.00 51.14 N ATOM 1419 CZ ARG A 294 2.909 -14.309 15.529 1.00 54.90 C ATOM 1420 NH1 ARG A 294 3.576 -14.664 16.629 1.00 65.76 N ATOM 1421 NH2 ARG A 294 1.999 -13.353 15.601 1.00 57.80 N ATOM 1422 HE ARG A 294 2.592 -14.552 13.540 1.00 0.00 H ATOM 1423 HH12 ARG A 294 3.373 -14.195 17.535 1.00 0.00 H ATOM 1424 HH11 ARG A 294 4.299 -15.410 16.581 1.00 0.00 H ATOM 1425 HH22 ARG A 294 1.803 -12.889 16.511 1.00 0.00 H ATOM 1426 HH21 ARG A 294 1.479 -13.065 14.748 1.00 0.00 H ATOM 1427 H ARG A 294 7.009 -12.983 14.280 1.00 0.00 H ATOM 1428 N SER A 295 7.072 -12.116 11.185 1.00 19.01 N ATOM 1429 CA SER A 295 7.249 -11.324 9.997 1.00 19.61 C ATOM 1430 C SER A 295 8.729 -11.231 9.596 1.00 21.27 C ATOM 1431 O SER A 295 9.056 -11.317 8.422 1.00 24.52 O ATOM 1432 CB SER A 295 6.667 -9.937 10.220 1.00 20.26 C ATOM 1433 OG SER A 295 6.807 -9.145 9.068 1.00 20.40 O ATOM 1434 HG SER A 295 6.422 -8.249 9.236 1.00 0.00 H ATOM 1435 H SER A 295 6.728 -11.674 12.061 1.00 0.00 H ATOM 1436 N VAL A 296 9.622 -11.111 10.568 1.00 19.07 N ATOM 1437 CA VAL A 296 11.032 -11.081 10.270 1.00 18.43 C ATOM 1438 C VAL A 296 11.429 -12.407 9.657 1.00 19.35 C ATOM 1439 O VAL A 296 12.172 -12.403 8.673 1.00 20.74 O ATOM 1440 CB VAL A 296 11.892 -10.773 11.502 1.00 18.22 C ATOM 1441 CG1 VAL A 296 13.365 -10.898 11.157 1.00 18.49 C ATOM 1442 CG2 VAL A 296 11.593 -9.376 12.011 1.00 19.91 C ATOM 1443 H VAL A 296 9.302 -11.038 11.555 1.00 0.00 H ATOM 1444 N GLN A 297 10.928 -13.531 10.184 1.00 19.86 N ATOM 1445 CA GLN A 297 11.203 -14.839 9.569 1.00 22.78 C ATOM 1446 C GLN A 297 10.823 -14.871 8.089 1.00 22.13 C ATOM 1447 O GLN A 297 11.638 -15.283 7.253 1.00 21.44 O ATOM 1448 CB GLN A 297 10.466 -15.972 10.267 1.00 26.74 C ATOM 1449 CG GLN A 297 11.047 -16.363 11.605 1.00 30.00 C ATOM 1450 CD GLN A 297 10.063 -17.168 12.465 1.00 33.74 C ATOM 1451 OE1 GLN A 297 9.618 -18.261 12.071 1.00 27.20 O ATOM 1452 NE2 GLN A 297 9.743 -16.638 13.662 1.00 32.18 N ATOM 1453 HE22 GLN A 297 10.141 -15.720 13.947 1.00 0.00 H ATOM 1454 HE21 GLN A 297 9.098 -17.147 14.300 1.00 0.00 H ATOM 1455 H GLN A 297 10.337 -13.479 11.038 1.00 0.00 H ATOM 1456 N GLN A 298 9.600 -14.429 7.779 1.00 21.93 N ATOM 1457 CA GLN A 298 9.090 -14.414 6.393 1.00 24.60 C ATOM 1458 C GLN A 298 9.977 -13.567 5.488 1.00 21.40 C ATOM 1459 O GLN A 298 10.321 -13.949 4.362 1.00 17.31 O ATOM 1460 CB GLN A 298 7.653 -13.876 6.340 1.00 30.52 C ATOM 1461 CG GLN A 298 6.622 -14.865 6.856 1.00 41.43 C ATOM 1462 CD GLN A 298 5.471 -14.205 7.602 1.00 58.20 C ATOM 1463 OE1 GLN A 298 4.915 -13.198 7.153 1.00 65.94 O ATOM 1464 NE2 GLN A 298 5.108 -14.773 8.756 1.00 71.31 N ATOM 1465 HE22 GLN A 298 5.604 -15.621 9.097 1.00 0.00 H ATOM 1466 HE21 GLN A 298 4.329 -14.367 9.313 1.00 0.00 H ATOM 1467 H GLN A 298 8.985 -14.083 8.542 1.00 0.00 H ATOM 1468 N VAL A 299 10.347 -12.403 5.992 1.00 19.03 N ATOM 1469 CA VAL A 299 11.165 -11.494 5.220 1.00 20.16 C ATOM 1470 C VAL A 299 12.519 -12.135 4.913 1.00 19.48 C ATOM 1471 O VAL A 299 13.000 -12.099 3.782 1.00 20.45 O ATOM 1472 CB VAL A 299 11.298 -10.164 5.965 1.00 20.34 C ATOM 1473 CG1 VAL A 299 12.447 -9.361 5.413 1.00 21.87 C ATOM 1474 CG2 VAL A 299 9.964 -9.404 5.893 1.00 20.83 C ATOM 1475 H VAL A 299 10.047 -12.138 6.952 1.00 0.00 H ATOM 1476 N ILE A 300 13.112 -12.791 5.883 1.00 17.43 N ATOM 1477 CA ILE A 300 14.415 -13.331 5.643 1.00 20.45 C ATOM 1478 C ILE A 300 14.329 -14.505 4.654 1.00 21.97 C ATOM 1479 O ILE A 300 15.233 -14.740 3.840 1.00 18.85 O ATOM 1480 CB ILE A 300 15.082 -13.807 6.943 1.00 20.31 C ATOM 1481 CG1 ILE A 300 15.293 -12.631 7.896 1.00 21.80 C ATOM 1482 CG2 ILE A 300 16.432 -14.452 6.643 1.00 20.86 C ATOM 1483 CD1 ILE A 300 15.741 -13.055 9.292 1.00 23.89 C ATOM 1484 H ILE A 300 12.646 -12.915 6.804 1.00 0.00 H ATOM 1485 N GLU A 301 13.266 -15.273 4.774 1.00 23.00 N ATOM 1486 CA GLU A 301 13.159 -16.487 4.004 1.00 24.15 C ATOM 1487 C GLU A 301 12.889 -16.086 2.559 1.00 22.03 C ATOM 1488 O GLU A 301 13.508 -16.621 1.679 1.00 22.03 O ATOM 1489 CB GLU A 301 12.040 -17.360 4.554 1.00 26.29 C ATOM 1490 CG GLU A 301 11.841 -18.676 3.817 1.00 32.28 C ATOM 1491 CD GLU A 301 10.520 -19.325 4.177 1.00 34.92 C ATOM 1492 OE1 GLU A 301 10.369 -19.696 5.354 1.00 50.81 O ATOM 1493 OE2 GLU A 301 9.632 -19.451 3.304 1.00 37.31 O ATOM 1494 H GLU A 301 12.502 -15.003 5.426 1.00 0.00 H ATOM 1495 N SER A 302 11.977 -15.145 2.324 1.00 22.64 N ATOM 1496 CA SER A 302 11.756 -14.654 0.963 1.00 26.13 C ATOM 1497 C SER A 302 13.036 -14.189 0.329 1.00 26.02 C ATOM 1498 O SER A 302 13.320 -14.522 -0.805 1.00 24.44 O ATOM 1499 CB SER A 302 10.816 -13.478 0.938 1.00 27.22 C ATOM 1500 OG SER A 302 9.653 -13.845 1.615 1.00 32.09 O ATOM 1501 HG SER A 302 9.878 -14.085 2.549 1.00 0.00 H ATOM 1502 H SER A 302 11.419 -14.757 3.111 1.00 0.00 H ATOM 1503 N HIS A 303 13.782 -13.368 1.053 1.00 22.62 N ATOM 1504 CA HIS A 303 15.032 -12.892 0.529 1.00 21.14 C ATOM 1505 C HIS A 303 15.954 -14.042 0.110 1.00 23.38 C ATOM 1506 O HIS A 303 16.486 -14.046 -1.003 1.00 22.01 O ATOM 1507 CB HIS A 303 15.706 -12.010 1.545 1.00 19.99 C ATOM 1508 CG HIS A 303 17.029 -11.490 1.092 1.00 21.17 C ATOM 1509 ND1 HIS A 303 17.149 -10.478 0.164 1.00 23.09 N ATOM 1510 CD2 HIS A 303 18.291 -11.852 1.422 1.00 22.52 C ATOM 1511 CE1 HIS A 303 18.431 -10.227 -0.046 1.00 24.57 C ATOM 1512 NE2 HIS A 303 19.143 -11.036 0.716 1.00 25.40 N ATOM 1513 H HIS A 303 13.464 -13.069 1.997 1.00 0.00 H ATOM 1514 N LEU A 304 16.148 -15.015 1.004 1.00 22.90 N ATOM 1515 CA LEU A 304 17.002 -16.156 0.707 1.00 23.18 C ATOM 1516 C LEU A 304 16.526 -16.928 -0.526 1.00 22.49 C ATOM 1517 O LEU A 304 17.328 -17.440 -1.279 1.00 20.39 O ATOM 1518 CB LEU A 304 17.065 -17.110 1.900 1.00 23.02 C ATOM 1519 CG LEU A 304 17.789 -16.616 3.146 1.00 24.19 C ATOM 1520 CD1 LEU A 304 17.583 -17.596 4.288 1.00 24.67 C ATOM 1521 CD2 LEU A 304 19.273 -16.407 2.880 1.00 25.76 C ATOM 1522 H LEU A 304 15.680 -14.956 1.931 1.00 0.00 H ATOM 1523 N LEU A 305 15.223 -17.021 -0.699 1.00 21.88 N ATOM 1524 CA LEU A 305 14.622 -17.719 -1.832 1.00 29.49 C ATOM 1525 C LEU A 305 14.813 -16.939 -3.159 1.00 29.65 C ATOM 1526 O LEU A 305 14.717 -17.502 -4.240 1.00 26.07 O ATOM 1527 CB LEU A 305 13.112 -17.962 -1.550 1.00 28.59 C ATOM 1528 CG LEU A 305 12.818 -18.933 -0.379 1.00 31.30 C ATOM 1529 CD1 LEU A 305 11.337 -19.268 -0.283 1.00 31.18 C ATOM 1530 CD2 LEU A 305 13.641 -20.210 -0.507 1.00 32.56 C ATOM 1531 H LEU A 305 14.595 -16.578 0.002 1.00 0.00 H ATOM 1532 N LYS A 306 15.083 -15.645 -3.064 1.00 28.54 N ATOM 1533 CA LYS A 306 15.385 -14.848 -4.233 1.00 29.92 C ATOM 1534 C LYS A 306 16.816 -15.020 -4.745 1.00 26.13 C ATOM 1535 O LYS A 306 17.138 -14.491 -5.798 1.00 26.15 O ATOM 1536 CB LYS A 306 15.176 -13.375 -3.917 1.00 31.92 C ATOM 1537 CG LYS A 306 13.723 -12.967 -3.725 1.00 35.53 C ATOM 1538 CD LYS A 306 13.623 -11.434 -3.725 1.00 40.39 C ATOM 1539 CE LYS A 306 12.515 -10.942 -2.822 1.00 45.79 C ATOM 1540 NZ LYS A 306 11.258 -11.610 -3.235 1.00 52.85 N ATOM 1541 HZ1 LYS A 306 11.049 -11.370 -4.225 1.00 0.00 H ATOM 1542 HZ2 LYS A 306 11.368 -12.640 -3.142 1.00 0.00 H ATOM 1543 HZ3 LYS A 306 10.479 -11.287 -2.627 1.00 0.00 H ATOM 1544 H LYS A 306 15.078 -15.192 -2.128 1.00 0.00 H ATOM 1545 N LEU A 307 17.679 -15.692 -3.997 1.00 21.21 N ATOM 1546 CA LEU A 307 19.068 -15.836 -4.387 1.00 23.04 C ATOM 1547 C LEU A 307 19.078 -16.850 -5.533 1.00 23.33 C ATOM 1548 O LEU A 307 18.496 -17.901 -5.394 1.00 25.86 O ATOM 1549 CB LEU A 307 19.919 -16.309 -3.178 1.00 23.04 C ATOM 1550 CG LEU A 307 21.357 -16.729 -3.470 1.00 25.72 C ATOM 1551 CD1 LEU A 307 22.150 -15.631 -4.168 1.00 28.27 C ATOM 1552 CD2 LEU A 307 22.069 -17.153 -2.201 1.00 28.19 C ATOM 1553 H LEU A 307 17.353 -16.126 -3.110 1.00 0.00 H ATOM 1554 N LEU A 308 19.646 -16.522 -6.688 1.00 23.79 N ATOM 1555 CA LEU A 308 19.682 -17.485 -7.793 1.00 26.22 C ATOM 1556 C LEU A 308 20.730 -18.545 -7.507 1.00 27.13 C ATOM 1557 O LEU A 308 21.829 -18.244 -7.144 1.00 30.24 O ATOM 1558 CB LEU A 308 19.920 -16.807 -9.160 1.00 24.16 C ATOM 1559 CG LEU A 308 18.758 -15.898 -9.596 1.00 23.94 C ATOM 1560 CD1 LEU A 308 19.164 -14.873 -10.647 1.00 24.26 C ATOM 1561 CD2 LEU A 308 17.553 -16.709 -10.075 1.00 24.42 C ATOM 1562 H LEU A 308 20.067 -15.579 -6.809 1.00 0.00 H ATOM 1563 N GLN A 309 20.332 -19.794 -7.653 1.00 30.98 N ATOM 1564 CA GLN A 309 21.205 -20.960 -7.587 1.00 34.32 C ATOM 1565 C GLN A 309 22.286 -20.779 -8.637 1.00 28.22 C ATOM 1566 O GLN A 309 21.989 -20.391 -9.762 1.00 27.27 O ATOM 1567 CB GLN A 309 20.332 -22.204 -7.923 1.00 41.02 C ATOM 1568 CG GLN A 309 20.992 -23.566 -7.787 1.00 44.84 C ATOM 1569 CD GLN A 309 20.981 -24.073 -6.359 1.00 52.38 C ATOM 1570 OE1 GLN A 309 20.073 -23.768 -5.581 1.00 48.52 O ATOM 1571 NE2 GLN A 309 21.994 -24.854 -6.006 1.00 57.40 N ATOM 1572 HE22 GLN A 309 22.738 -25.085 -6.696 1.00 0.00 H ATOM 1573 HE21 GLN A 309 22.044 -25.235 -5.040 1.00 0.00 H ATOM 1574 H GLN A 309 19.320 -19.959 -7.828 1.00 0.00 H ATOM 1575 N ASN A 310 23.534 -21.039 -8.295 1.00 25.75 N ATOM 1576 CA ASN A 310 24.591 -20.956 -9.292 1.00 26.04 C ATOM 1577 C ASN A 310 24.493 -22.093 -10.313 1.00 28.24 C ATOM 1578 O ASN A 310 24.336 -23.234 -9.933 1.00 28.77 O ATOM 1579 CB ASN A 310 25.937 -20.996 -8.619 1.00 26.77 C ATOM 1580 CG ASN A 310 27.076 -20.894 -9.608 1.00 28.83 C ATOM 1581 OD1 ASN A 310 27.290 -21.767 -10.438 1.00 33.27 O ATOM 1582 ND2 ASN A 310 27.819 -19.827 -9.517 1.00 36.99 N ATOM 1583 HD22 ASN A 310 27.607 -19.105 -8.799 1.00 0.00 H ATOM 1584 HD21 ASN A 310 28.624 -19.697 -10.163 1.00 0.00 H ATOM 1585 H ASN A 310 23.762 -21.303 -7.315 1.00 0.00 H ATOM 1586 N ILE A 311 24.575 -21.785 -11.607 1.00 25.53 N ATOM 1587 CA ILE A 311 24.517 -22.816 -12.639 1.00 25.63 C ATOM 1588 C ILE A 311 25.784 -22.867 -13.492 1.00 25.30 C ATOM 1589 O ILE A 311 25.770 -23.504 -14.528 1.00 26.17 O ATOM 1590 CB ILE A 311 23.247 -22.672 -13.544 1.00 27.10 C ATOM 1591 CG1 ILE A 311 23.244 -21.356 -14.348 1.00 27.25 C ATOM 1592 CG2 ILE A 311 21.985 -22.699 -12.707 1.00 26.68 C ATOM 1593 CD1 ILE A 311 22.040 -21.210 -15.246 1.00 28.67 C ATOM 1594 H ILE A 311 24.683 -20.789 -11.888 1.00 0.00 H ATOM 1595 N LYS A 312 26.869 -22.232 -13.044 1.00 31.94 N ATOM 1596 CA LYS A 312 28.146 -22.111 -13.813 1.00 36.26 C ATOM 1597 C LYS A 312 29.089 -23.278 -13.530 1.00 38.35 C ATOM 1598 O LYS A 312 28.723 -24.438 -13.718 1.00 42.24 O ATOM 1599 CB LYS A 312 28.863 -20.780 -13.466 1.00 37.81 C ATOM 1600 CG LYS A 312 29.987 -20.329 -14.407 1.00 34.92 C ATOM 1601 H LYS A 312 26.824 -21.794 -12.102 1.00 0.00 H TER 1602 LYS A 312 HETATM 1603 O HOH 1 23.197 -12.166 10.380 1.00 14.61 O HETATM 1604 O HOH 2 24.095 -6.261 8.675 1.00 14.55 O HETATM 1605 O HOH 3 24.750 -8.850 8.830 1.00 19.88 O HETATM 1606 O HOH 4 28.387 -1.894 8.726 1.00 20.21 O HETATM 1607 O HOH 5 28.886 6.173 11.290 1.00 14.06 O HETATM 1608 O HOH 6 29.090 13.673 12.074 1.00 14.22 O HETATM 1609 O HOH 7 27.808 -0.883 11.375 1.00 15.96 O HETATM 1610 O HOH 8 8.208 -10.183 13.081 1.00 19.15 O HETATM 1611 O HOH 9 30.544 2.325 5.626 1.00 19.65 O HETATM 1612 O HOH 10 29.453 8.965 11.530 1.00 15.30 O HETATM 1613 O HOH 11 30.751 11.790 11.021 1.00 22.57 O HETATM 1614 O HOH 12 29.102 -2.293 13.145 1.00 22.38 O HETATM 1615 O HOH 13 27.510 -2.108 15.436 1.00 21.34 O HETATM 1616 O HOH 14 26.505 4.333 9.170 1.00 14.87 O HETATM 1617 O HOH 15 19.769 -23.160 13.649 1.00 19.20 O HETATM 1618 O HOH 16 23.756 29.701 24.781 1.00 22.08 O HETATM 1619 O HOH 17 16.303 16.375 14.115 1.00 23.36 O HETATM 1620 O HOH 18 16.968 6.945 20.704 1.00 28.59 O HETATM 1621 O HOH 19 25.017 -19.039 10.381 1.00 19.48 O HETATM 1622 O HOH 20 12.659 30.538 24.946 1.00 33.01 O HETATM 1623 O HOH 21 24.107 -23.188 -17.019 1.00 28.88 O HETATM 1624 O HOH 22 23.815 -21.121 13.744 1.00 23.08 O HETATM 1625 O HOH 23 29.627 -15.398 11.927 1.00 24.51 O HETATM 1626 O HOH 24 17.706 -3.717 18.465 1.00 22.32 O HETATM 1627 O HOH 25 17.820 26.628 21.303 1.00 20.05 O HETATM 1628 O HOH 26 20.478 -21.301 10.888 1.00 21.45 O HETATM 1629 O HOH 27 26.679 27.404 17.728 1.00 23.69 O HETATM 1630 O HOH 28 19.599 25.630 18.033 1.00 21.87 O HETATM 1631 O HOH 29 34.333 7.614 15.091 1.00 19.49 O HETATM 1632 O HOH 30 30.588 1.974 8.363 1.00 18.55 O HETATM 1633 O HOH 31 29.117 5.754 2.008 1.00 30.48 O HETATM 1634 O HOH 32 29.858 8.465 2.501 1.00 40.03 O HETATM 1635 O HOH 33 27.377 19.341 26.125 1.00 22.63 O HETATM 1636 O HOH 34 32.784 21.195 10.681 1.00 20.26 O HETATM 1637 O HOH 35 35.474 17.339 11.555 1.00 22.22 O HETATM 1638 O HOH 36 36.188 11.162 8.027 1.00 35.71 O HETATM 1639 O HOH 37 35.606 7.040 5.943 1.00 35.56 O HETATM 1640 O HOH 38 7.841 -12.695 19.884 1.00 21.01 O HETATM 1641 O HOH 39 12.144 -10.207 1.872 1.00 26.46 O HETATM 1642 O HOH 40 18.416 9.267 1.094 1.00 37.43 O HETATM 1643 O HOH 41 26.686 -11.026 20.205 1.00 28.51 O HETATM 1644 O HOH 42 24.622 -21.503 -5.689 1.00 40.89 O HETATM 1645 O HOH 43 16.418 -4.820 20.595 1.00 31.23 O HETATM 1646 O HOH 44 26.345 25.013 8.734 1.00 30.40 O HETATM 1647 O HOH 45 36.572 11.766 12.930 1.00 24.67 O HETATM 1648 O HOH 46 27.789 1.844 8.279 1.00 17.54 O HETATM 1649 O HOH 47 24.824 0.932 1.280 1.00 28.91 O HETATM 1650 O HOH 48 30.251 9.612 24.694 1.00 32.58 O HETATM 1651 O HOH 49 27.825 14.293 25.173 1.00 12.87 O HETATM 1652 O HOH 50 37.183 11.943 10.435 1.00 24.67 O HETATM 1653 O HOH 51 15.865 24.176 22.755 1.00 37.50 O HETATM 1654 O HOH 52 9.479 -18.782 16.000 1.00 23.82 O HETATM 1655 O HOH 53 25.544 -8.362 22.665 1.00 5.40 O HETATM 1656 O HOH 54 21.597 -9.586 1.341 1.00 29.48 O HETATM 1657 O HOH 55 28.891 -11.194 4.219 1.00 36.25 O HETATM 1658 O HOH 56 16.227 19.320 14.321 1.00 32.16 O HETATM 1659 O HOH 57 16.913 13.713 21.966 1.00 33.88 O HETATM 1660 O HOH 58 21.211 10.014 1.868 1.00 33.12 O HETATM 1661 O HOH 59 22.583 -22.629 11.499 1.00 26.62 O HETATM 1662 O HOH 60 14.715 22.066 18.411 1.00 37.66 O HETATM 1663 O HOH 61 36.372 4.490 11.302 1.00 25.48 O HETATM 1664 O HOH 62 36.962 4.579 13.679 1.00 30.92 O HETATM 1665 O HOH 63 29.107 16.717 25.840 1.00 32.47 O HETATM 1666 O HOH 64 13.829 7.642 11.200 1.00 30.37 O HETATM 1667 O HOH 65 9.455 -1.776 14.753 1.00 32.28 O HETATM 1668 O HOH 66 11.183 -14.987 -2.612 1.00 28.24 O HETATM 1669 O HOH 67 30.891 15.835 23.611 1.00 11.36 O HETATM 1670 O HOH 68 13.756 4.668 22.349 1.00 27.57 O HETATM 1671 O HOH 69 33.134 -8.946 18.240 1.00 31.38 O HETATM 1672 O HOH 70 17.835 -1.003 1.068 1.00 32.50 O HETATM 1673 O HOH 71 27.757 -21.768 11.441 1.00 31.39 O HETATM 1674 O HOH 72 27.512 10.374 2.518 1.00 29.88 O HETATM 1675 O HOH 73 38.470 6.545 13.566 1.00 28.21 O HETATM 1676 O HOH 74 36.671 1.655 15.829 1.00 33.62 O HETATM 1677 O HOH 75 12.604 -10.561 22.247 1.00 34.54 O HETATM 1678 O HOH 76 23.011 -14.307 20.606 1.00 29.54 O HETATM 1679 O HOH 77 37.890 5.686 9.511 1.00 25.95 O HETATM 1680 O HOH 78 26.469 0.046 23.296 1.00 24.78 O HETATM 1681 O HOH 79 25.981 8.547 26.729 1.00 41.07 O HETATM 1682 N ALA A 80 21.283 20.850 29.976 1.00 0.24 N HETATM 1683 CA ALA A 80 20.764 19.447 29.983 1.00 0.06 C HETATM 1684 C ALA A 80 21.592 18.552 29.050 1.00 0.23 C HETATM 1685 O ALA A 80 22.014 18.988 27.973 1.00 -0.39 O HETATM 1686 N ALA A 80 21.828 17.307 29.465 1.00 -0.26 N HETATM 1687 CA ALA A 80 22.572 16.338 28.674 1.00 0.13 C HETATM 1688 C ALA A 80 21.673 15.137 28.497 1.00 0.20 C HETATM 1689 O ALA A 80 20.915 14.801 29.395 1.00 -0.39 O HETATM 1690 N ALA A 80 21.747 14.509 27.332 1.00 -0.26 N HETATM 1691 CA ALA A 80 21.112 13.220 27.088 1.00 0.13 C HETATM 1692 C ALA A 80 22.222 12.184 26.877 1.00 0.20 C HETATM 1693 O ALA A 80 23.290 12.517 26.422 1.00 -0.39 O HETATM 1694 N ALA A 80 21.935 10.939 27.211 1.00 -0.26 N HETATM 1695 CA ALA A 80 22.896 9.840 27.132 1.00 0.14 C HETATM 1696 C ALA A 80 22.872 9.212 25.755 1.00 0.21 C HETATM 1697 O ALA A 80 21.890 9.330 25.050 1.00 -0.39 O HETATM 1698 N ALA A 80 23.962 8.581 25.359 1.00 -0.26 N HETATM 1699 CA ALA A 80 23.917 7.716 24.200 1.00 0.13 C HETATM 1700 C ALA A 80 23.195 6.422 24.583 1.00 0.21 C HETATM 1701 O ALA A 80 23.579 5.784 25.541 1.00 -0.39 O HETATM 1702 N ALA A 80 22.156 6.024 23.839 1.00 -0.25 N HETATM 1703 CA ALA A 80 21.615 4.689 24.118 1.00 0.13 C HETATM 1704 C ALA A 80 22.679 3.595 23.904 1.00 0.20 C HETATM 1705 O ALA A 80 23.546 3.723 23.028 1.00 -0.39 O HETATM 1706 N ALA A 80 22.644 2.548 24.720 1.00 -0.26 N HETATM 1707 CA ALA A 80 23.572 1.437 24.520 1.00 0.16 C HETATM 1708 C ALA A 80 22.926 0.470 23.528 1.00 0.21 C HETATM 1709 O ALA A 80 21.704 0.399 23.434 1.00 -0.39 O HETATM 1710 N ALA A 80 23.766 -0.208 22.756 1.00 -0.26 N HETATM 1711 CA ALA A 80 23.337 -1.235 21.825 1.00 0.13 C HETATM 1712 C ALA A 80 22.801 -2.426 22.642 1.00 0.21 C HETATM 1713 O ALA A 80 23.275 -2.701 23.734 1.00 -0.39 O HETATM 1714 N ALA A 80 21.781 -3.105 22.127 1.00 -0.25 N HETATM 1715 CA ALA A 80 21.178 -4.140 22.942 1.00 0.13 C HETATM 1716 C ALA A 80 22.097 -5.327 23.147 1.00 0.20 C HETATM 1717 O ALA A 80 23.063 -5.539 22.372 1.00 -0.39 O HETATM 1718 N ALA A 80 21.787 -6.089 24.192 1.00 -0.26 N HETATM 1719 CA ALA A 80 22.474 -7.340 24.471 1.00 0.15 C HETATM 1720 C ALA A 80 21.869 -8.420 23.591 1.00 0.21 C HETATM 1721 O ALA A 80 20.708 -8.784 23.751 1.00 -0.39 O HETATM 1722 N ALA A 80 22.641 -8.925 22.642 1.00 -0.26 N HETATM 1723 CA ALA A 80 22.097 -9.921 21.718 1.00 0.13 C HETATM 1724 C ALA A 80 22.028 -11.325 22.326 1.00 0.20 C HETATM 1725 O ALA A 80 21.499 -12.261 21.703 1.00 -0.39 O HETATM 1726 N ALA A 80 22.574 -11.482 23.534 1.00 -0.26 N HETATM 1727 CA ALA A 80 22.519 -12.779 24.213 1.00 0.14 C HETATM 1728 C ALA A 80 21.178 -13.015 24.896 1.00 0.21 C HETATM 1729 O ALA A 80 20.946 -14.101 25.394 1.00 -0.39 O HETATM 1730 N ALA A 80 20.283 -12.026 24.895 1.00 -0.26 N HETATM 1731 CA ALA A 80 19.000 -12.145 25.574 1.00 0.14 C HETATM 1732 C ALA A 80 17.819 -11.820 24.670 1.00 0.21 C HETATM 1733 O ALA A 80 17.950 -11.032 23.722 1.00 -0.39 O HETATM 1734 N ALA A 80 16.661 -12.412 24.969 1.00 -0.26 N HETATM 1735 CA ALA A 80 15.400 -11.927 24.434 1.00 0.14 C HETATM 1736 C ALA A 80 15.254 -10.468 24.872 1.00 0.21 C HETATM 1737 O ALA A 80 15.574 -10.128 26.002 1.00 -0.39 O HETATM 1738 N ALA A 80 14.774 -9.631 23.961 1.00 -0.26 N HETATM 1739 CA ALA A 80 14.581 -8.205 24.165 1.00 0.13 C HETATM 1740 C ALA A 80 13.658 -7.863 25.334 1.00 0.20 C HETATM 1741 O ALA A 80 13.973 -6.958 26.119 1.00 -0.39 O HETATM 1742 N ALA A 80 12.544 -8.583 25.483 1.00 -0.27 N HETATM 1743 CA ALA A 80 11.519 -8.245 26.498 1.00 0.09 C HETATM 1744 C ALA A 80 12.068 -8.015 27.927 1.00 0.06 C HETATM 1745 O ALA A 80 12.341 -6.879 28.347 1.00 -0.57 O HETATM 1746 OXT ALA A 80 12.258 -8.957 28.713 1.00 -0.57 O HETATM 1747 CB ALA A 80 10.433 -9.336 26.560 1.00 -0.03 C HETATM 1748 H124 ALA A 80 9.684 -9.065 27.319 1.00 0.03 H HETATM 1749 H125 ALA A 80 10.895 -10.298 26.828 1.00 0.03 H HETATM 1750 H126 ALA A 80 9.945 -9.424 25.578 1.00 0.03 H HETATM 1751 H123 ALA A 80 11.045 -7.307 26.174 1.00 0.07 H HETATM 1752 H122 ALA A 80 12.397 -9.375 24.891 1.00 0.19 H HETATM 1753 CB ALA A 80 13.996 -7.602 22.862 1.00 -0.01 C HETATM 1754 CG ALA A 80 13.695 -6.116 22.872 1.00 -0.04 C HETATM 1755 CD ALA A 80 13.155 -5.680 21.521 1.00 -0.01 C HETATM 1756 CE ALA A 80 13.311 -4.170 21.330 1.00 -0.04 C HETATM 1757 NZ ALA A 80 12.555 -3.637 20.150 1.00 0.22 N HETATM 1758 H119 ALA A 80 12.699 -2.642 20.081 1.00 0.20 H HETATM 1759 H120 ALA A 80 11.572 -3.827 20.267 1.00 0.20 H HETATM 1760 H121 ALA A 80 12.886 -4.084 19.309 1.00 0.20 H HETATM 1761 H117 ALA A 80 14.379 -3.945 21.191 1.00 0.08 H HETATM 1762 H118 ALA A 80 12.945 -3.664 22.236 1.00 0.08 H HETATM 1763 H115 ALA A 80 12.089 -5.942 21.458 1.00 0.03 H HETATM 1764 H116 ALA A 80 13.709 -6.202 20.727 1.00 0.03 H HETATM 1765 H113 ALA A 80 14.618 -5.560 23.091 1.00 0.03 H HETATM 1766 H114 ALA A 80 12.946 -5.902 23.649 1.00 0.03 H HETATM 1767 H111 ALA A 80 13.056 -8.130 22.643 1.00 0.03 H HETATM 1768 H112 ALA A 80 14.719 -7.790 22.055 1.00 0.03 H HETATM 1769 H110 ALA A 80 15.563 -7.751 24.363 1.00 0.08 H HETATM 1770 H109 ALA A 80 14.527 -10.009 23.069 1.00 0.19 H HETATM 1771 CB ALA A 80 14.169 -12.713 24.936 1.00 0.01 C HETATM 1772 CG ALA A 80 14.086 -14.123 24.446 1.00 -0.00 C HETATM 1773 ND1 ALA A 80 13.002 -14.588 23.743 1.00 -0.33 N HETATM 1774 CE1 ALA A 80 13.186 -15.858 23.438 1.00 0.09 C HETATM 1775 NE2 ALA A 80 14.344 -16.241 23.935 1.00 -0.28 N HETATM 1776 CD2 ALA A 80 14.929 -15.175 24.573 1.00 0.03 C HETATM 1777 H106 ALA A 80 15.890 -15.176 25.085 1.00 0.07 H HETATM 1778 H108 ALA A 80 14.745 -17.186 23.858 1.00 0.24 H HETATM 1779 H107 ALA A 80 12.498 -16.483 22.872 1.00 0.12 H HETATM 1780 H104 ALA A 80 13.265 -12.181 24.605 1.00 0.04 H HETATM 1781 H105 ALA A 80 14.200 -12.734 26.035 1.00 0.04 H HETATM 1782 H103 ALA A 80 15.432 -11.988 23.336 1.00 0.08 H HETATM 1783 H102 ALA A 80 16.661 -13.207 25.575 1.00 0.19 H HETATM 1784 CB ALA A 80 18.971 -11.190 26.785 1.00 0.02 C HETATM 1785 CG ALA A 80 19.745 -11.679 28.001 1.00 -0.04 C HETATM 1786 CD1 ALA A 80 21.106 -11.458 28.109 1.00 -0.06 C HETATM 1787 CE1 ALA A 80 21.823 -11.867 29.229 1.00 -0.07 C HETATM 1788 CZ ALA A 80 21.170 -12.500 30.284 1.00 -0.07 C HETATM 1789 CE2 ALA A 80 19.796 -12.727 30.196 1.00 -0.07 C HETATM 1790 CD2 ALA A 80 19.091 -12.316 29.062 1.00 -0.06 C HETATM 1791 H98 ALA A 80 18.023 -12.493 29.003 1.00 0.06 H HETATM 1792 H100 ALA A 80 19.276 -13.222 31.008 1.00 0.06 H HETATM 1793 H101 ALA A 80 21.723 -12.812 31.163 1.00 0.06 H HETATM 1794 H99 ALA A 80 22.892 -11.693 29.281 1.00 0.06 H HETATM 1795 H97 ALA A 80 21.626 -10.954 27.302 1.00 0.06 H HETATM 1796 H95 ALA A 80 17.922 -11.046 27.082 1.00 0.05 H HETATM 1797 H96 ALA A 80 19.399 -10.226 26.471 1.00 0.05 H HETATM 1798 H94 ALA A 80 18.892 -13.181 25.929 1.00 0.08 H HETATM 1799 H93 ALA A 80 20.500 -11.177 24.413 1.00 0.19 H HETATM 1800 CB ALA A 80 23.681 -12.937 25.192 1.00 0.04 C HETATM 1801 CG ALA A 80 25.049 -12.851 24.502 1.00 0.04 C HETATM 1802 OD1 ALA A 80 25.209 -13.301 23.346 1.00 -0.57 O HETATM 1803 OD2 ALA A 80 25.959 -12.285 25.114 1.00 -0.57 O HETATM 1804 H91 ALA A 80 23.596 -13.917 25.685 1.00 0.05 H HETATM 1805 H92 ALA A 80 23.616 -12.140 25.947 1.00 0.05 H HETATM 1806 H90 ALA A 80 22.631 -13.555 23.442 1.00 0.08 H HETATM 1807 H89 ALA A 80 23.024 -10.708 23.979 1.00 0.19 H HETATM 1808 CB ALA A 80 22.923 -9.941 20.449 1.00 -0.01 C HETATM 1809 CG ALA A 80 22.923 -8.603 19.682 1.00 -0.04 C HETATM 1810 CD1 ALA A 80 23.997 -8.658 18.602 1.00 -0.06 C HETATM 1811 H83 ALA A 80 24.008 -7.708 18.047 1.00 0.02 H HETATM 1812 H84 ALA A 80 23.779 -9.485 17.910 1.00 0.02 H HETATM 1813 H85 ALA A 80 24.979 -8.820 19.070 1.00 0.02 H HETATM 1814 CD2 ALA A 80 21.575 -8.251 19.079 1.00 -0.06 C HETATM 1815 H86 ALA A 80 20.816 -8.217 19.874 1.00 0.02 H HETATM 1816 H87 ALA A 80 21.295 -9.013 18.337 1.00 0.02 H HETATM 1817 H88 ALA A 80 21.638 -7.268 18.589 1.00 0.02 H HETATM 1818 H82 ALA A 80 23.185 -7.806 20.393 1.00 0.03 H HETATM 1819 H80 ALA A 80 22.520 -10.720 19.786 1.00 0.03 H HETATM 1820 H81 ALA A 80 23.961 -10.187 20.715 1.00 0.03 H HETATM 1821 H79 ALA A 80 21.072 -9.617 21.460 1.00 0.08 H HETATM 1822 H78 ALA A 80 23.592 -8.627 22.557 1.00 0.19 H HETATM 1823 CB ALA A 80 22.286 -7.692 25.936 1.00 0.08 C HETATM 1824 CG ALA A 80 23.169 -8.811 26.379 1.00 0.18 C HETATM 1825 OD1 ALA A 80 23.583 -9.647 25.597 1.00 -0.40 O HETATM 1826 ND2 ALA A 80 23.449 -8.840 27.660 1.00 -0.30 N HETATM 1827 H76 ALA A 80 24.035 -9.562 28.027 1.00 0.18 H HETATM 1828 H77 ALA A 80 23.076 -8.140 28.269 1.00 0.18 H HETATM 1829 H74 ALA A 80 21.238 -7.987 26.095 1.00 0.06 H HETATM 1830 H75 ALA A 80 22.513 -6.803 26.543 1.00 0.06 H HETATM 1831 H73 ALA A 80 23.547 -7.238 24.250 1.00 0.08 H HETATM 1832 H72 ALA A 80 21.057 -5.792 24.807 1.00 0.19 H HETATM 1833 CB ALA A 80 19.935 -4.564 22.145 1.00 -0.01 C HETATM 1834 CG ALA A 80 20.051 -3.952 20.799 1.00 -0.03 C HETATM 1835 CD ALA A 80 21.042 -2.832 20.880 1.00 0.04 C HETATM 1836 H70 ALA A 80 21.719 -2.844 20.013 1.00 0.05 H HETATM 1837 H71 ALA A 80 20.531 -1.859 20.933 1.00 0.05 H HETATM 1838 H68 ALA A 80 19.073 -3.562 20.481 1.00 0.03 H HETATM 1839 H69 ALA A 80 20.398 -4.705 20.076 1.00 0.03 H HETATM 1840 H66 ALA A 80 19.024 -4.204 22.646 1.00 0.03 H HETATM 1841 H67 ALA A 80 19.897 -5.660 22.059 1.00 0.03 H HETATM 1842 H65 ALA A 80 20.892 -3.734 23.923 1.00 0.08 H HETATM 1843 CB ALA A 80 24.507 -1.669 20.934 1.00 -0.01 C HETATM 1844 CG ALA A 80 24.928 -0.692 19.834 1.00 -0.04 C HETATM 1845 CD1 ALA A 80 26.190 -1.176 19.154 1.00 -0.06 C HETATM 1846 H59 ALA A 80 26.479 -0.464 18.367 1.00 0.02 H HETATM 1847 H60 ALA A 80 26.009 -2.164 18.706 1.00 0.02 H HETATM 1848 H61 ALA A 80 27.000 -1.252 19.895 1.00 0.02 H HETATM 1849 CD2 ALA A 80 23.838 -0.480 18.781 1.00 -0.06 C HETATM 1850 H62 ALA A 80 22.918 -0.128 19.271 1.00 0.02 H HETATM 1851 H63 ALA A 80 23.637 -1.430 18.264 1.00 0.02 H HETATM 1852 H64 ALA A 80 24.175 0.271 18.051 1.00 0.02 H HETATM 1853 H58 ALA A 80 25.137 0.278 20.308 1.00 0.03 H HETATM 1854 H56 ALA A 80 24.225 -2.616 20.450 1.00 0.03 H HETATM 1855 H57 ALA A 80 25.378 -1.835 21.584 1.00 0.03 H HETATM 1856 H55 ALA A 80 22.532 -0.839 21.188 1.00 0.08 H HETATM 1857 H54 ALA A 80 24.742 -0.001 22.819 1.00 0.19 H HETATM 1858 CB ALA A 80 23.926 0.734 25.833 1.00 0.09 C HETATM 1859 OG1 ALA A 80 22.737 0.214 26.408 1.00 -0.39 O HETATM 1860 H50 ALA A 80 22.341 -0.406 25.807 1.00 0.21 H HETATM 1861 CG2 ALA A 80 24.545 1.718 26.796 1.00 -0.03 C HETATM 1862 H51 ALA A 80 24.796 1.204 27.735 1.00 0.03 H HETATM 1863 H52 ALA A 80 23.831 2.529 27.001 1.00 0.03 H HETATM 1864 H53 ALA A 80 25.460 2.139 26.353 1.00 0.03 H HETATM 1865 H49 ALA A 80 24.634 -0.084 25.635 1.00 0.06 H HETATM 1866 H48 ALA A 80 24.502 1.828 24.082 1.00 0.08 H HETATM 1867 H47 ALA A 80 21.983 2.520 25.470 1.00 0.19 H HETATM 1868 CB ALA A 80 20.467 4.555 23.098 1.00 -0.01 C HETATM 1869 CG ALA A 80 20.055 5.971 22.816 1.00 -0.03 C HETATM 1870 CD ALA A 80 21.343 6.746 22.842 1.00 0.04 C HETATM 1871 H45 ALA A 80 21.829 6.735 21.855 1.00 0.05 H HETATM 1872 H46 ALA A 80 21.170 7.787 23.154 1.00 0.05 H HETATM 1873 H43 ALA A 80 19.364 6.337 23.590 1.00 0.03 H HETATM 1874 H44 ALA A 80 19.574 6.048 21.830 1.00 0.03 H HETATM 1875 H41 ALA A 80 19.630 3.983 23.526 1.00 0.03 H HETATM 1876 H42 ALA A 80 20.817 4.061 22.180 1.00 0.03 H HETATM 1877 H40 ALA A 80 21.234 4.628 25.148 1.00 0.08 H HETATM 1878 CB ALA A 80 25.327 7.373 23.746 1.00 -0.00 C HETATM 1879 CG ALA A 80 25.360 6.438 22.542 1.00 -0.00 C HETATM 1880 SD ALA A 80 24.763 7.199 21.011 1.00 -0.16 S HETATM 1881 CE ALA A 80 26.146 8.232 20.592 1.00 -0.02 C HETATM 1882 H37 ALA A 80 25.930 8.774 19.660 1.00 0.03 H HETATM 1883 H38 ALA A 80 27.041 7.608 20.454 1.00 0.03 H HETATM 1884 H39 ALA A 80 26.323 8.954 21.403 1.00 0.03 H HETATM 1885 H35 ALA A 80 24.730 5.564 22.764 1.00 0.04 H HETATM 1886 H36 ALA A 80 26.398 6.111 22.385 1.00 0.04 H HETATM 1887 H33 ALA A 80 25.854 6.887 24.580 1.00 0.03 H HETATM 1888 H34 ALA A 80 25.845 8.306 23.478 1.00 0.03 H HETATM 1889 H32 ALA A 80 23.378 8.219 23.384 1.00 0.08 H HETATM 1890 H31 ALA A 80 24.819 8.701 25.860 1.00 0.19 H HETATM 1891 CB ALA A 80 22.554 8.791 28.207 1.00 0.01 C HETATM 1892 CG ALA A 80 22.879 9.262 29.588 1.00 -0.00 C HETATM 1893 ND1 ALA A 80 21.908 9.608 30.508 1.00 -0.33 N HETATM 1894 CE1 ALA A 80 22.492 10.042 31.610 1.00 0.09 C HETATM 1895 NE2 ALA A 80 23.805 10.018 31.427 1.00 -0.28 N HETATM 1896 CD2 ALA A 80 24.073 9.541 30.170 1.00 0.03 C HETATM 1897 H28 ALA A 80 25.058 9.411 29.723 1.00 0.07 H HETATM 1898 H30 ALA A 80 24.510 10.311 32.118 1.00 0.24 H HETATM 1899 H29 ALA A 80 21.981 10.365 32.516 1.00 0.12 H HETATM 1900 H26 ALA A 80 23.128 7.875 28.002 1.00 0.04 H HETATM 1901 H27 ALA A 80 21.478 8.569 28.154 1.00 0.04 H HETATM 1902 H25 ALA A 80 23.905 10.233 27.323 1.00 0.08 H HETATM 1903 H24 ALA A 80 21.011 10.737 27.535 1.00 0.19 H HETATM 1904 CB ALA A 80 20.141 13.223 25.867 1.00 -0.01 C HETATM 1905 CG1 ALA A 80 18.948 14.121 26.112 1.00 -0.06 C HETATM 1906 H18 ALA A 80 18.286 14.099 25.234 1.00 0.02 H HETATM 1907 H19 ALA A 80 19.294 15.151 26.285 1.00 0.02 H HETATM 1908 H20 ALA A 80 18.397 13.766 26.995 1.00 0.02 H HETATM 1909 CG2 ALA A 80 20.832 13.646 24.584 1.00 -0.06 C HETATM 1910 H21 ALA A 80 21.700 12.995 24.403 1.00 0.02 H HETATM 1911 H22 ALA A 80 21.169 14.689 24.676 1.00 0.02 H HETATM 1912 H23 ALA A 80 20.128 13.561 23.743 1.00 0.02 H HETATM 1913 H17 ALA A 80 19.774 12.195 25.732 1.00 0.03 H HETATM 1914 H16 ALA A 80 20.531 12.946 27.981 1.00 0.08 H HETATM 1915 H15 ALA A 80 22.260 14.938 26.589 1.00 0.19 H HETATM 1916 CB ALA A 80 23.851 15.904 29.387 1.00 -0.02 C HETATM 1917 CG ALA A 80 24.900 16.978 29.448 1.00 -0.06 C HETATM 1918 H12 ALA A 80 25.787 16.594 29.973 1.00 0.02 H HETATM 1919 H13 ALA A 80 24.502 17.849 29.989 1.00 0.02 H HETATM 1920 H14 ALA A 80 25.179 17.277 28.427 1.00 0.02 H HETATM 1921 H10 ALA A 80 24.270 15.039 28.853 1.00 0.03 H HETATM 1922 H11 ALA A 80 23.593 15.611 30.415 1.00 0.03 H HETATM 1923 H9 ALA A 80 22.828 16.771 27.696 1.00 0.08 H HETATM 1924 H8 ALA A 80 21.478 17.027 30.359 1.00 0.19 H HETATM 1925 CB ALA A 80 19.289 19.422 29.585 1.00 -0.00 C HETATM 1926 H5 ALA A 80 18.924 18.384 29.595 1.00 0.03 H HETATM 1927 H6 ALA A 80 19.175 19.841 28.574 1.00 0.03 H HETATM 1928 H7 ALA A 80 18.706 20.023 30.299 1.00 0.03 H HETATM 1929 H4 ALA A 80 20.852 19.052 31.006 1.00 0.11 H HETATM 1930 H1 ALA A 80 20.725 21.418 30.594 1.00 0.20 H HETATM 1931 H2 ALA A 80 21.232 21.222 29.041 1.00 0.20 H HETATM 1932 H3 ALA A 80 22.241 20.855 30.288 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1682 1683 1930 1931 1932 CONECT 1683 1682 1684 1925 1929 CONECT 1684 1683 1685 1686 CONECT 1685 1684 CONECT 1686 1684 1687 1924 CONECT 1687 1686 1688 1916 1923 CONECT 1688 1687 1689 1690 CONECT 1689 1688 CONECT 1690 1688 1691 1915 CONECT 1691 1690 1692 1904 1914 CONECT 1692 1691 1693 1694 CONECT 1693 1692 CONECT 1694 1692 1695 1903 CONECT 1695 1694 1696 1891 1902 CONECT 1696 1695 1697 1698 CONECT 1697 1696 CONECT 1698 1696 1699 1890 CONECT 1699 1698 1700 1878 1889 CONECT 1700 1699 1701 1702 CONECT 1701 1700 CONECT 1702 1700 1703 1870 CONECT 1703 1702 1704 1868 1877 CONECT 1704 1703 1705 1706 CONECT 1705 1704 CONECT 1706 1704 1707 1867 CONECT 1707 1706 1708 1858 1866 CONECT 1708 1707 1709 1710 CONECT 1709 1708 CONECT 1710 1708 1711 1857 CONECT 1711 1710 1712 1843 1856 CONECT 1712 1711 1713 1714 CONECT 1713 1712 CONECT 1714 1712 1715 1835 CONECT 1715 1714 1716 1833 1842 CONECT 1716 1715 1717 1718 CONECT 1717 1716 CONECT 1718 1716 1719 1832 CONECT 1719 1718 1720 1823 1831 CONECT 1720 1719 1721 1722 CONECT 1721 1720 CONECT 1722 1720 1723 1822 CONECT 1723 1722 1724 1808 1821 CONECT 1724 1723 1725 1726 CONECT 1725 1724 CONECT 1726 1724 1727 1807 CONECT 1727 1726 1728 1800 1806 CONECT 1728 1727 1729 1730 CONECT 1729 1728 CONECT 1730 1728 1731 1799 CONECT 1731 1730 1732 1784 1798 CONECT 1732 1731 1733 1734 CONECT 1733 1732 CONECT 1734 1732 1735 1783 CONECT 1735 1734 1736 1771 1782 CONECT 1736 1735 1737 1738 CONECT 1737 1736 CONECT 1738 1736 1739 1770 CONECT 1739 1738 1740 1753 1769 CONECT 1740 1739 1741 1742 CONECT 1741 1740 CONECT 1742 1740 1743 1752 CONECT 1743 1742 1744 1747 1751 CONECT 1744 1743 1745 1746 CONECT 1745 1744 CONECT 1746 1744 CONECT 1747 1743 1748 1749 1750 CONECT 1748 1747 CONECT 1749 1747 CONECT 1750 1747 CONECT 1751 1743 CONECT 1752 1742 CONECT 1753 1739 1754 1767 1768 CONECT 1754 1753 1755 1765 1766 CONECT 1755 1754 1756 1763 1764 CONECT 1756 1755 1757 1761 1762 CONECT 1757 1756 1758 1759 1760 CONECT 1758 1757 CONECT 1759 1757 CONECT 1760 1757 CONECT 1761 1756 CONECT 1762 1756 CONECT 1763 1755 CONECT 1764 1755 CONECT 1765 1754 CONECT 1766 1754 CONECT 1767 1753 CONECT 1768 1753 CONECT 1769 1739 CONECT 1770 1738 CONECT 1771 1735 1772 1780 1781 CONECT 1772 1771 1773 1776 CONECT 1773 1772 1774 CONECT 1774 1773 1775 1779 CONECT 1775 1774 1776 1778 CONECT 1776 1772 1775 1777 CONECT 1777 1776 CONECT 1778 1775 CONECT 1779 1774 CONECT 1780 1771 CONECT 1781 1771 CONECT 1782 1735 CONECT 1783 1734 CONECT 1784 1731 1785 1796 1797 CONECT 1785 1784 1786 1790 CONECT 1786 1785 1787 1795 CONECT 1787 1786 1788 1794 CONECT 1788 1787 1789 1793 CONECT 1789 1788 1790 1792 CONECT 1790 1785 1789 1791 CONECT 1791 1790 CONECT 1792 1789 CONECT 1793 1788 CONECT 1794 1787 CONECT 1795 1786 CONECT 1796 1784 CONECT 1797 1784 CONECT 1798 1731 CONECT 1799 1730 CONECT 1800 1727 1801 1804 1805 CONECT 1801 1800 1802 1803 CONECT 1802 1801 CONECT 1803 1801 CONECT 1804 1800 CONECT 1805 1800 CONECT 1806 1727 CONECT 1807 1726 CONECT 1808 1723 1809 1819 1820 CONECT 1809 1808 1810 1814 1818 CONECT 1810 1809 1811 1812 1813 CONECT 1811 1810 CONECT 1812 1810 CONECT 1813 1810 CONECT 1814 1809 1815 1816 1817 CONECT 1815 1814 CONECT 1816 1814 CONECT 1817 1814 CONECT 1818 1809 CONECT 1819 1808 CONECT 1820 1808 CONECT 1821 1723 CONECT 1822 1722 CONECT 1823 1719 1824 1829 1830 CONECT 1824 1823 1825 1826 CONECT 1825 1824 CONECT 1826 1824 1827 1828 CONECT 1827 1826 CONECT 1828 1826 CONECT 1829 1823 CONECT 1830 1823 CONECT 1831 1719 CONECT 1832 1718 CONECT 1833 1715 1834 1840 1841 CONECT 1834 1833 1835 1838 1839 CONECT 1835 1714 1834 1836 1837 CONECT 1836 1835 CONECT 1837 1835 CONECT 1838 1834 CONECT 1839 1834 CONECT 1840 1833 CONECT 1841 1833 CONECT 1842 1715 CONECT 1843 1711 1844 1854 1855 CONECT 1844 1843 1845 1849 1853 CONECT 1845 1844 1846 1847 1848 CONECT 1846 1845 CONECT 1847 1845 CONECT 1848 1845 CONECT 1849 1844 1850 1851 1852 CONECT 1850 1849 CONECT 1851 1849 CONECT 1852 1849 CONECT 1853 1844 CONECT 1854 1843 CONECT 1855 1843 CONECT 1856 1711 CONECT 1857 1710 CONECT 1858 1707 1859 1861 1865 CONECT 1859 1858 1860 CONECT 1860 1859 CONECT 1861 1858 1862 1863 1864 CONECT 1862 1861 CONECT 1863 1861 CONECT 1864 1861 CONECT 1865 1858 CONECT 1866 1707 CONECT 1867 1706 CONECT 1868 1703 1869 1875 1876 CONECT 1869 1868 1870 1873 1874 CONECT 1870 1702 1869 1871 1872 CONECT 1871 1870 CONECT 1872 1870 CONECT 1873 1869 CONECT 1874 1869 CONECT 1875 1868 CONECT 1876 1868 CONECT 1877 1703 CONECT 1878 1699 1879 1887 1888 CONECT 1879 1878 1880 1885 1886 CONECT 1880 1879 1881 CONECT 1881 1880 1882 1883 1884 CONECT 1882 1881 CONECT 1883 1881 CONECT 1884 1881 CONECT 1885 1879 CONECT 1886 1879 CONECT 1887 1878 CONECT 1888 1878 CONECT 1889 1699 CONECT 1890 1698 CONECT 1891 1695 1892 1900 1901 CONECT 1892 1891 1893 1896 CONECT 1893 1892 1894 CONECT 1894 1893 1895 1899 CONECT 1895 1894 1896 1898 CONECT 1896 1892 1895 1897 CONECT 1897 1896 CONECT 1898 1895 CONECT 1899 1894 CONECT 1900 1891 CONECT 1901 1891 CONECT 1902 1695 CONECT 1903 1694 CONECT 1904 1691 1905 1909 1913 CONECT 1905 1904 1906 1907 1908 CONECT 1906 1905 CONECT 1907 1905 CONECT 1908 1905 CONECT 1909 1904 1910 1911 1912 CONECT 1910 1909 CONECT 1911 1909 CONECT 1912 1909 CONECT 1913 1904 CONECT 1914 1691 CONECT 1915 1690 CONECT 1916 1687 1917 1921 1922 CONECT 1917 1916 1918 1919 1920 CONECT 1918 1917 CONECT 1919 1917 CONECT 1920 1917 CONECT 1921 1916 CONECT 1922 1916 CONECT 1923 1687 CONECT 1924 1686 CONECT 1925 1683 1926 1927 1928 CONECT 1926 1925 CONECT 1927 1925 CONECT 1928 1925 CONECT 1929 1683 CONECT 1930 1682 CONECT 1931 1682 CONECT 1932 1682 MASTER 0 0 0 0 0 0 0 0 1931 1 255 14 END
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Entry Information
PDB ID
4qqi
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Ankyrin repeat family A protein 2, ANKRA2
Ligand Name
17-mer
EC.Number
E.C.-.-.-.-
Resolution
2.03(Å)
Affinity (Kd/Ki/IC50)
Kd=3.0uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Structure Vol. 23: pp. 700-712
Ligand Properties
Formula
C
8
1
H
1
2
8
N
2
2
O
2
1
S
Molecular Weight
1778.080
Exact Mass
1776.930
No. of atoms
253
No. of bonds
257
Polar Surface Area
694.78
LOGP Value
-3.49 (
Computed with XLOGP3
)
-0.11 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 19
No. of Hydrogen Bond Acceptors: 23
No. of Rotatable Bonds: 67
No. of Nitrogen and Oxygen Atoms: 43
No. of Rings: 5
Canonical SMILES
CSCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CCCC[NH3+])Cc1c[nH]cn1)Cc1ccccc1)CC(=O)O)CC(C)C)CC(=O)N)CC(C)C)[C@H](O)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CC
InChI String
InChI=1S/C81H126N22O21S/c1-12-50(90-66(108)44(8)83)67(109)100-64(43(6)7)77(119)98-56(34-49-38-86-40-88-49)72(114)92-52(25-29-125-11)79(121)102-27-19-24-61(102)76(118)101-65(46(10)104)78(120)99-59(31-42(4)5)80(122)103-28-18-23-60(103)75(117)97-57(35-62(84)105)73(115)93-53(30-41(2)3)69(111)96-58(36-63(106)107)74(116)94-54(32-47-20-14-13-15-21-47)70(112)95-55(33-48-37-85-39-87-48)71(113)91-51(22-16-17-26-82)68(110)89-45(9)81(123)124/h13-15,20-21,37-46,50-61,64-65,104H,12,16-19,22-36,82-83H2,1-11H3,(H2,84,105)(H,85,87)(H,86,88)(H,89,110)(H,90,108)(H,91,113)(H,92,114)(H,93,115)(H,94,116)(H,95,112)(H,96,111)(H,97,117)(H,98,119)(H,99,120)(H,100,109)(H,101,118)(H,106,107)(H,123,124)/p+2/t44-,45-,46+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
Q2KHR2
Q9H9E1
Entrez Gene ID
NCBI Entrez Gene ID:
64864
57763
ASD
Information of known allosteric effects of PDB entries
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