USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 670 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 GLN : amide:sc= 0.142 X(o=-1.4,f=-1.7) USER MOD Set 1.2: A 44 GLN : amide:sc= -0.872 K(o=-1.4,f=-4.5!) USER MOD Set 1.3: A 50 ASN : amide:sc= -0.648 K(o=-1.4,f=-4.5) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 0:sc= -0.842 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.553 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0.039) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0265) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0077 USER MOD Single : A 36 THR OG1 : rot 180:sc=0.000492 USER MOD Single : A 37 SER OG : rot 180:sc= 0.00022 USER MOD Single : A 42 MET CE :methyl -118:sc= -3.15! (180deg=-9.23!) USER MOD Single : A 47 ASN : amide:sc= -0.124 K(o=-0.12,f=-5!) USER MOD Single : A 51 THR OG1 : rot -117:sc= 0.306 USER MOD Single : A 54 GLN : amide:sc= -4.74 K(o=-4.7,f=-7.8!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.435 K(o=-0.43,f=-1.2) USER MOD Single : A 65 CYS SG : rot 138:sc= -0.0239 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -177:sc= -0.295 (180deg=-0.334) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 57 N LYS A 2 15.485 7.169 -2.838 1.00 0.00 N ATOM 58 CA LYS A 2 16.230 8.117 -3.657 1.00 0.00 C ATOM 59 C LYS A 2 17.733 7.905 -3.504 1.00 0.00 C ATOM 60 O LYS A 2 18.173 7.049 -2.737 1.00 0.00 O ATOM 61 CB LYS A 2 15.865 9.553 -3.272 1.00 0.00 C ATOM 62 CG LYS A 2 14.660 10.096 -4.021 1.00 0.00 C ATOM 63 CD LYS A 2 13.417 9.264 -3.756 1.00 0.00 C ATOM 64 CE LYS A 2 13.033 9.289 -2.284 1.00 0.00 C ATOM 65 NZ LYS A 2 11.624 8.858 -2.071 1.00 0.00 N ATOM 0 HA LYS A 2 15.961 7.947 -4.700 1.00 0.00 H new ATOM 0 HB2 LYS A 2 15.665 9.594 -2.201 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.722 10.200 -3.461 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.479 11.128 -3.721 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.870 10.107 -5.090 1.00 0.00 H new ATOM 0 HD2 LYS A 2 12.589 9.643 -4.356 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.593 8.235 -4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.701 8.636 -1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 2 13.168 10.297 -1.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.401 8.889 -1.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.984 9.496 -2.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.501 7.887 -2.423 1.00 0.00 H new ATOM 79 N GLU A 3 18.515 8.692 -4.237 1.00 0.00 N ATOM 80 CA GLU A 3 19.968 8.589 -4.181 1.00 0.00 C ATOM 81 C GLU A 3 20.615 9.968 -4.272 1.00 0.00 C ATOM 82 O GLU A 3 20.101 10.863 -4.944 1.00 0.00 O ATOM 83 CB GLU A 3 20.483 7.697 -5.313 1.00 0.00 C ATOM 84 CG GLU A 3 20.432 8.357 -6.680 1.00 0.00 C ATOM 85 CD GLU A 3 20.627 7.369 -7.813 1.00 0.00 C ATOM 86 OE1 GLU A 3 21.790 7.145 -8.210 1.00 0.00 O ATOM 87 OE2 GLU A 3 19.619 6.820 -8.303 1.00 0.00 O ATOM 0 H GLU A 3 18.167 9.407 -4.876 1.00 0.00 H new ATOM 0 HA GLU A 3 20.238 8.142 -3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 3 21.511 7.408 -5.097 1.00 0.00 H new ATOM 0 HB3 GLU A 3 19.893 6.781 -5.339 1.00 0.00 H new ATOM 0 HG2 GLU A 3 19.472 8.858 -6.802 1.00 0.00 H new ATOM 0 HG3 GLU A 3 21.202 9.126 -6.737 1.00 0.00 H new ATOM 94 N ILE A 4 21.745 10.131 -3.592 1.00 0.00 N ATOM 95 CA ILE A 4 22.462 11.400 -3.596 1.00 0.00 C ATOM 96 C ILE A 4 23.701 11.328 -4.482 1.00 0.00 C ATOM 97 O ILE A 4 24.438 10.342 -4.457 1.00 0.00 O ATOM 98 CB ILE A 4 22.885 11.813 -2.174 1.00 0.00 C ATOM 99 CG1 ILE A 4 23.303 13.284 -2.149 1.00 0.00 C ATOM 100 CG2 ILE A 4 24.018 10.925 -1.680 1.00 0.00 C ATOM 101 CD1 ILE A 4 24.761 13.503 -2.491 1.00 0.00 C ATOM 0 H ILE A 4 22.184 9.400 -3.031 1.00 0.00 H new ATOM 0 HA ILE A 4 21.776 12.148 -3.993 1.00 0.00 H new ATOM 0 HB ILE A 4 22.033 11.687 -1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 4 22.685 13.841 -2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 4 23.105 13.693 -1.158 1.00 0.00 H new ATOM 0 HG21 ILE A 4 24.306 11.229 -0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 4 23.686 9.887 -1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 4 24.874 11.022 -2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 4 24.987 14.569 -2.454 1.00 0.00 H new ATOM 0 HD12 ILE A 4 25.387 12.974 -1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 4 24.960 13.124 -3.493 1.00 0.00 H new ATOM 113 N ILE A 5 23.925 12.380 -5.263 1.00 0.00 N ATOM 114 CA ILE A 5 25.076 12.437 -6.154 1.00 0.00 C ATOM 115 C ILE A 5 25.817 13.763 -6.011 1.00 0.00 C ATOM 116 O ILE A 5 25.233 14.834 -6.178 1.00 0.00 O ATOM 117 CB ILE A 5 24.659 12.252 -7.625 1.00 0.00 C ATOM 118 CG1 ILE A 5 23.513 11.244 -7.730 1.00 0.00 C ATOM 119 CG2 ILE A 5 25.848 11.798 -8.460 1.00 0.00 C ATOM 120 CD1 ILE A 5 23.057 10.993 -9.150 1.00 0.00 C ATOM 0 H ILE A 5 23.324 13.204 -5.296 1.00 0.00 H new ATOM 0 HA ILE A 5 25.738 11.620 -5.867 1.00 0.00 H new ATOM 0 HB ILE A 5 24.312 13.210 -8.012 1.00 0.00 H new ATOM 0 HG12 ILE A 5 23.829 10.300 -7.286 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.668 11.605 -7.144 1.00 0.00 H new ATOM 0 HG21 ILE A 5 25.537 11.672 -9.497 1.00 0.00 H new ATOM 0 HG22 ILE A 5 26.638 12.548 -8.407 1.00 0.00 H new ATOM 0 HG23 ILE A 5 26.222 10.849 -8.075 1.00 0.00 H new ATOM 0 HD11 ILE A 5 22.243 10.268 -9.148 1.00 0.00 H new ATOM 0 HD12 ILE A 5 22.710 11.927 -9.591 1.00 0.00 H new ATOM 0 HD13 ILE A 5 23.889 10.602 -9.736 1.00 0.00 H new ATOM 132 N LEU A 6 27.107 13.683 -5.702 1.00 0.00 N ATOM 133 CA LEU A 6 27.930 14.876 -5.538 1.00 0.00 C ATOM 134 C LEU A 6 28.821 15.094 -6.756 1.00 0.00 C ATOM 135 O LEU A 6 29.611 14.224 -7.125 1.00 0.00 O ATOM 136 CB LEU A 6 28.788 14.758 -4.278 1.00 0.00 C ATOM 137 CG LEU A 6 29.687 13.524 -4.191 1.00 0.00 C ATOM 138 CD1 LEU A 6 31.111 13.871 -4.597 1.00 0.00 C ATOM 139 CD2 LEU A 6 29.658 12.940 -2.787 1.00 0.00 C ATOM 0 H LEU A 6 27.605 12.804 -5.560 1.00 0.00 H new ATOM 0 HA LEU A 6 27.266 15.735 -5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 6 29.416 15.646 -4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 6 28.127 14.763 -3.411 1.00 0.00 H new ATOM 0 HG LEU A 6 29.307 12.772 -4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 6 31.736 12.981 -4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 6 31.117 14.241 -5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 6 31.502 14.640 -3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 6 30.304 12.063 -2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 6 30.012 13.686 -2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 6 28.638 12.652 -2.534 1.00 0.00 H new ATOM 151 N TYR A 7 28.691 16.262 -7.376 1.00 0.00 N ATOM 152 CA TYR A 7 29.485 16.595 -8.553 1.00 0.00 C ATOM 153 C TYR A 7 30.656 17.500 -8.183 1.00 0.00 C ATOM 154 O TYR A 7 30.466 18.638 -7.754 1.00 0.00 O ATOM 155 CB TYR A 7 28.611 17.278 -9.607 1.00 0.00 C ATOM 156 CG TYR A 7 27.558 16.371 -10.201 1.00 0.00 C ATOM 157 CD1 TYR A 7 26.309 16.241 -9.607 1.00 0.00 C ATOM 158 CD2 TYR A 7 27.812 15.643 -11.358 1.00 0.00 C ATOM 159 CE1 TYR A 7 25.344 15.412 -10.146 1.00 0.00 C ATOM 160 CE2 TYR A 7 26.853 14.814 -11.905 1.00 0.00 C ATOM 161 CZ TYR A 7 25.620 14.702 -11.295 1.00 0.00 C ATOM 162 OH TYR A 7 24.662 13.875 -11.836 1.00 0.00 O ATOM 0 H TYR A 7 28.044 16.994 -7.083 1.00 0.00 H new ATOM 0 HA TYR A 7 29.883 15.668 -8.965 1.00 0.00 H new ATOM 0 HB2 TYR A 7 28.122 18.142 -9.157 1.00 0.00 H new ATOM 0 HB3 TYR A 7 29.248 17.653 -10.407 1.00 0.00 H new ATOM 0 HD1 TYR A 7 26.088 16.798 -8.708 1.00 0.00 H new ATOM 0 HD2 TYR A 7 28.776 15.727 -11.837 1.00 0.00 H new ATOM 0 HE1 TYR A 7 24.379 15.321 -9.670 1.00 0.00 H new ATOM 0 HE2 TYR A 7 27.066 14.256 -12.805 1.00 0.00 H new ATOM 0 HH TYR A 7 23.852 13.908 -11.285 1.00 0.00 H new ATOM 172 N THR A 8 31.870 16.985 -8.351 1.00 0.00 N ATOM 173 CA THR A 8 33.073 17.744 -8.035 1.00 0.00 C ATOM 174 C THR A 8 34.329 16.931 -8.329 1.00 0.00 C ATOM 175 O THR A 8 34.249 15.796 -8.799 1.00 0.00 O ATOM 176 CB THR A 8 33.091 18.178 -6.557 1.00 0.00 C ATOM 177 OG1 THR A 8 32.109 17.442 -5.818 1.00 0.00 O ATOM 178 CG2 THR A 8 32.817 19.668 -6.427 1.00 0.00 C ATOM 0 H THR A 8 32.046 16.044 -8.704 1.00 0.00 H new ATOM 0 HA THR A 8 33.062 18.632 -8.667 1.00 0.00 H new ATOM 0 HB THR A 8 34.082 17.970 -6.153 1.00 0.00 H new ATOM 0 HG1 THR A 8 32.128 17.723 -4.879 1.00 0.00 H new ATOM 0 HG21 THR A 8 32.835 19.951 -5.374 1.00 0.00 H new ATOM 0 HG22 THR A 8 33.582 20.227 -6.966 1.00 0.00 H new ATOM 0 HG23 THR A 8 31.837 19.896 -6.847 1.00 0.00 H new ATOM 186 N ARG A 9 35.487 17.520 -8.050 1.00 0.00 N ATOM 187 CA ARG A 9 36.761 16.850 -8.286 1.00 0.00 C ATOM 188 C ARG A 9 37.152 15.988 -7.088 1.00 0.00 C ATOM 189 O ARG A 9 36.643 16.155 -5.980 1.00 0.00 O ATOM 190 CB ARG A 9 37.858 17.878 -8.567 1.00 0.00 C ATOM 191 CG ARG A 9 37.800 19.095 -7.658 1.00 0.00 C ATOM 192 CD ARG A 9 37.177 20.289 -8.363 1.00 0.00 C ATOM 193 NE ARG A 9 38.145 21.001 -9.193 1.00 0.00 N ATOM 194 CZ ARG A 9 39.104 21.778 -8.701 1.00 0.00 C ATOM 195 NH1 ARG A 9 39.222 21.941 -7.391 1.00 0.00 N ATOM 196 NH2 ARG A 9 39.947 22.393 -9.521 1.00 0.00 N ATOM 0 H ARG A 9 35.570 18.459 -7.661 1.00 0.00 H new ATOM 0 HA ARG A 9 36.647 16.203 -9.156 1.00 0.00 H new ATOM 0 HB2 ARG A 9 38.831 17.398 -8.456 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.780 18.205 -9.604 1.00 0.00 H new ATOM 0 HG2 ARG A 9 37.222 18.856 -6.765 1.00 0.00 H new ATOM 0 HG3 ARG A 9 38.806 19.351 -7.327 1.00 0.00 H new ATOM 0 HD2 ARG A 9 36.347 19.951 -8.983 1.00 0.00 H new ATOM 0 HD3 ARG A 9 36.763 20.972 -7.621 1.00 0.00 H new ATOM 0 HE ARG A 9 38.081 20.896 -10.206 1.00 0.00 H new ATOM 0 HH11 ARG A 9 38.576 21.469 -6.758 1.00 0.00 H new ATOM 0 HH12 ARG A 9 39.959 22.538 -7.016 1.00 0.00 H new ATOM 0 HH21 ARG A 9 39.859 22.269 -10.530 1.00 0.00 H new ATOM 0 HH22 ARG A 9 40.683 22.989 -9.143 1.00 0.00 H new ATOM 210 N PRO A 10 38.077 15.045 -7.315 1.00 0.00 N ATOM 211 CA PRO A 10 38.557 14.138 -6.268 1.00 0.00 C ATOM 212 C PRO A 10 39.404 14.857 -5.223 1.00 0.00 C ATOM 213 O PRO A 10 39.780 14.273 -4.207 1.00 0.00 O ATOM 214 CB PRO A 10 39.405 13.123 -7.038 1.00 0.00 C ATOM 215 CG PRO A 10 39.847 13.849 -8.262 1.00 0.00 C ATOM 216 CD PRO A 10 38.727 14.790 -8.612 1.00 0.00 C ATOM 0 HA PRO A 10 37.736 13.690 -5.709 1.00 0.00 H new ATOM 0 HB2 PRO A 10 40.257 12.789 -6.446 1.00 0.00 H new ATOM 0 HB3 PRO A 10 38.826 12.235 -7.292 1.00 0.00 H new ATOM 0 HG2 PRO A 10 40.773 14.395 -8.079 1.00 0.00 H new ATOM 0 HG3 PRO A 10 40.043 13.154 -9.079 1.00 0.00 H new ATOM 0 HD2 PRO A 10 39.101 15.710 -9.062 1.00 0.00 H new ATOM 0 HD3 PRO A 10 38.036 14.344 -9.327 1.00 0.00 H new ATOM 224 N ASN A 11 39.702 16.126 -5.481 1.00 0.00 N ATOM 225 CA ASN A 11 40.506 16.924 -4.562 1.00 0.00 C ATOM 226 C ASN A 11 39.618 17.805 -3.687 1.00 0.00 C ATOM 227 O ASN A 11 39.874 18.998 -3.527 1.00 0.00 O ATOM 228 CB ASN A 11 41.496 17.792 -5.340 1.00 0.00 C ATOM 229 CG ASN A 11 42.713 18.163 -4.514 1.00 0.00 C ATOM 230 OD1 ASN A 11 42.742 19.210 -3.867 1.00 0.00 O ATOM 231 ND2 ASN A 11 43.725 17.304 -4.532 1.00 0.00 N ATOM 0 H ASN A 11 39.399 16.624 -6.318 1.00 0.00 H new ATOM 0 HA ASN A 11 41.060 16.242 -3.917 1.00 0.00 H new ATOM 0 HB2 ASN A 11 41.817 17.259 -6.235 1.00 0.00 H new ATOM 0 HB3 ASN A 11 40.995 18.701 -5.672 1.00 0.00 H new ATOM 0 HD21 ASN A 11 44.570 17.500 -3.995 1.00 0.00 H new ATOM 0 HD22 ASN A 11 43.658 16.448 -5.083 1.00 0.00 H new ATOM 238 N CYS A 12 38.574 17.207 -3.123 1.00 0.00 N ATOM 239 CA CYS A 12 37.648 17.936 -2.264 1.00 0.00 C ATOM 240 C CYS A 12 37.834 17.538 -0.802 1.00 0.00 C ATOM 241 O CYS A 12 37.210 16.600 -0.304 1.00 0.00 O ATOM 242 CB CYS A 12 36.204 17.672 -2.696 1.00 0.00 C ATOM 243 SG CYS A 12 35.055 19.035 -2.322 1.00 0.00 S ATOM 0 H CYS A 12 38.348 16.220 -3.245 1.00 0.00 H new ATOM 0 HA CYS A 12 37.861 19.000 -2.363 1.00 0.00 H new ATOM 0 HB2 CYS A 12 36.186 17.480 -3.769 1.00 0.00 H new ATOM 0 HB3 CYS A 12 35.849 16.766 -2.204 1.00 0.00 H new ATOM 248 N PRO A 13 38.712 18.266 -0.098 1.00 0.00 N ATOM 249 CA PRO A 13 39.001 18.009 1.316 1.00 0.00 C ATOM 250 C PRO A 13 37.828 18.368 2.222 1.00 0.00 C ATOM 251 O PRO A 13 37.408 17.567 3.057 1.00 0.00 O ATOM 252 CB PRO A 13 40.198 18.919 1.605 1.00 0.00 C ATOM 253 CG PRO A 13 40.088 20.018 0.606 1.00 0.00 C ATOM 254 CD PRO A 13 39.491 19.398 -0.628 1.00 0.00 C ATOM 0 HA PRO A 13 39.195 16.953 1.507 1.00 0.00 H new ATOM 0 HB2 PRO A 13 40.165 19.305 2.624 1.00 0.00 H new ATOM 0 HB3 PRO A 13 41.140 18.380 1.499 1.00 0.00 H new ATOM 0 HG2 PRO A 13 39.458 20.825 0.981 1.00 0.00 H new ATOM 0 HG3 PRO A 13 41.066 20.450 0.392 1.00 0.00 H new ATOM 0 HD2 PRO A 13 38.859 20.104 -1.167 1.00 0.00 H new ATOM 0 HD3 PRO A 13 40.261 19.065 -1.323 1.00 0.00 H new ATOM 262 N TYR A 14 37.303 19.577 2.051 1.00 0.00 N ATOM 263 CA TYR A 14 36.179 20.042 2.854 1.00 0.00 C ATOM 264 C TYR A 14 34.938 19.191 2.601 1.00 0.00 C ATOM 265 O TYR A 14 34.070 19.065 3.465 1.00 0.00 O ATOM 266 CB TYR A 14 35.877 21.509 2.544 1.00 0.00 C ATOM 267 CG TYR A 14 35.632 21.780 1.077 1.00 0.00 C ATOM 268 CD1 TYR A 14 34.361 21.653 0.530 1.00 0.00 C ATOM 269 CD2 TYR A 14 36.671 22.163 0.238 1.00 0.00 C ATOM 270 CE1 TYR A 14 34.133 21.899 -0.811 1.00 0.00 C ATOM 271 CE2 TYR A 14 36.452 22.413 -1.103 1.00 0.00 C ATOM 272 CZ TYR A 14 35.181 22.279 -1.622 1.00 0.00 C ATOM 273 OH TYR A 14 34.959 22.525 -2.958 1.00 0.00 O ATOM 0 H TYR A 14 37.638 20.252 1.364 1.00 0.00 H new ATOM 0 HA TYR A 14 36.453 19.948 3.905 1.00 0.00 H new ATOM 0 HB2 TYR A 14 35.001 21.819 3.113 1.00 0.00 H new ATOM 0 HB3 TYR A 14 36.711 22.123 2.884 1.00 0.00 H new ATOM 0 HD1 TYR A 14 33.538 21.357 1.163 1.00 0.00 H new ATOM 0 HD2 TYR A 14 37.667 22.267 0.641 1.00 0.00 H new ATOM 0 HE1 TYR A 14 33.139 21.794 -1.221 1.00 0.00 H new ATOM 0 HE2 TYR A 14 37.271 22.711 -1.741 1.00 0.00 H new ATOM 0 HH TYR A 14 35.801 22.783 -3.387 1.00 0.00 H new ATOM 283 N CYS A 15 34.862 18.609 1.409 1.00 0.00 N ATOM 284 CA CYS A 15 33.729 17.769 1.039 1.00 0.00 C ATOM 285 C CYS A 15 33.505 16.670 2.074 1.00 0.00 C ATOM 286 O CYS A 15 32.407 16.128 2.193 1.00 0.00 O ATOM 287 CB CYS A 15 33.957 17.147 -0.340 1.00 0.00 C ATOM 288 SG CYS A 15 33.406 18.192 -1.727 1.00 0.00 S ATOM 0 H CYS A 15 35.572 18.704 0.683 1.00 0.00 H new ATOM 0 HA CYS A 15 32.839 18.398 1.004 1.00 0.00 H new ATOM 0 HB2 CYS A 15 35.019 16.934 -0.459 1.00 0.00 H new ATOM 0 HB3 CYS A 15 33.433 16.193 -0.388 1.00 0.00 H new ATOM 293 N LYS A 16 34.555 16.347 2.821 1.00 0.00 N ATOM 294 CA LYS A 16 34.476 15.314 3.847 1.00 0.00 C ATOM 295 C LYS A 16 33.232 15.501 4.711 1.00 0.00 C ATOM 296 O LYS A 16 32.632 14.528 5.170 1.00 0.00 O ATOM 297 CB LYS A 16 35.729 15.341 4.726 1.00 0.00 C ATOM 298 CG LYS A 16 35.772 16.516 5.687 1.00 0.00 C ATOM 299 CD LYS A 16 37.147 16.672 6.315 1.00 0.00 C ATOM 300 CE LYS A 16 37.050 16.957 7.806 1.00 0.00 C ATOM 301 NZ LYS A 16 38.376 16.858 8.477 1.00 0.00 N ATOM 0 H LYS A 16 35.472 16.786 2.735 1.00 0.00 H new ATOM 0 HA LYS A 16 34.410 14.347 3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 16 35.783 14.414 5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 16 36.611 15.373 4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 16 35.507 17.431 5.157 1.00 0.00 H new ATOM 0 HG3 LYS A 16 35.027 16.374 6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 16 37.727 15.763 6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 16 37.683 17.483 5.823 1.00 0.00 H new ATOM 0 HE2 LYS A 16 36.639 17.955 7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 16 36.357 16.253 8.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 38.268 17.059 9.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 38.757 15.898 8.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 39.031 17.548 8.056 1.00 0.00 H new ATOM 315 N ARG A 17 32.850 16.755 4.927 1.00 0.00 N ATOM 316 CA ARG A 17 31.678 17.068 5.736 1.00 0.00 C ATOM 317 C ARG A 17 30.417 16.471 5.119 1.00 0.00 C ATOM 318 O ARG A 17 29.624 15.826 5.804 1.00 0.00 O ATOM 319 CB ARG A 17 31.521 18.583 5.879 1.00 0.00 C ATOM 320 CG ARG A 17 32.525 19.212 6.832 1.00 0.00 C ATOM 321 CD ARG A 17 32.589 20.721 6.656 1.00 0.00 C ATOM 322 NE ARG A 17 33.499 21.345 7.613 1.00 0.00 N ATOM 323 CZ ARG A 17 33.495 22.644 7.891 1.00 0.00 C ATOM 324 NH1 ARG A 17 32.634 23.452 7.288 1.00 0.00 N ATOM 325 NH2 ARG A 17 34.354 23.137 8.774 1.00 0.00 N ATOM 0 H ARG A 17 33.335 17.571 4.553 1.00 0.00 H new ATOM 0 HA ARG A 17 31.821 16.630 6.724 1.00 0.00 H new ATOM 0 HB2 ARG A 17 31.626 19.045 4.897 1.00 0.00 H new ATOM 0 HB3 ARG A 17 30.513 18.804 6.229 1.00 0.00 H new ATOM 0 HG2 ARG A 17 32.250 18.976 7.860 1.00 0.00 H new ATOM 0 HG3 ARG A 17 33.512 18.782 6.659 1.00 0.00 H new ATOM 0 HD2 ARG A 17 32.913 20.954 5.642 1.00 0.00 H new ATOM 0 HD3 ARG A 17 31.591 21.143 6.776 1.00 0.00 H new ATOM 0 HE ARG A 17 34.174 20.751 8.094 1.00 0.00 H new ATOM 0 HH11 ARG A 17 31.972 23.077 6.609 1.00 0.00 H new ATOM 0 HH12 ARG A 17 32.633 24.449 7.504 1.00 0.00 H new ATOM 0 HH21 ARG A 17 35.018 22.518 9.240 1.00 0.00 H new ATOM 0 HH22 ARG A 17 34.350 24.135 8.987 1.00 0.00 H new ATOM 339 N ALA A 18 30.238 16.692 3.821 1.00 0.00 N ATOM 340 CA ALA A 18 29.074 16.175 3.111 1.00 0.00 C ATOM 341 C ALA A 18 29.079 14.651 3.087 1.00 0.00 C ATOM 342 O ALA A 18 28.108 14.011 3.492 1.00 0.00 O ATOM 343 CB ALA A 18 29.032 16.727 1.694 1.00 0.00 C ATOM 0 H ALA A 18 30.884 17.226 3.239 1.00 0.00 H new ATOM 0 HA ALA A 18 28.180 16.501 3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 18 28.158 16.333 1.176 1.00 0.00 H new ATOM 0 HB2 ALA A 18 28.973 17.815 1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 18 29.935 16.430 1.161 1.00 0.00 H new ATOM 349 N ARG A 19 30.177 14.074 2.610 1.00 0.00 N ATOM 350 CA ARG A 19 30.306 12.624 2.531 1.00 0.00 C ATOM 351 C ARG A 19 30.163 11.990 3.912 1.00 0.00 C ATOM 352 O ARG A 19 29.681 10.865 4.042 1.00 0.00 O ATOM 353 CB ARG A 19 31.656 12.243 1.921 1.00 0.00 C ATOM 354 CG ARG A 19 32.788 12.184 2.934 1.00 0.00 C ATOM 355 CD ARG A 19 34.119 11.877 2.266 1.00 0.00 C ATOM 356 NE ARG A 19 35.156 11.544 3.239 1.00 0.00 N ATOM 357 CZ ARG A 19 36.310 10.972 2.915 1.00 0.00 C ATOM 358 NH1 ARG A 19 36.574 10.671 1.651 1.00 0.00 N ATOM 359 NH2 ARG A 19 37.204 10.700 3.858 1.00 0.00 N ATOM 0 H ARG A 19 30.990 14.589 2.272 1.00 0.00 H new ATOM 0 HA ARG A 19 29.507 12.247 1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.564 11.272 1.435 1.00 0.00 H new ATOM 0 HB3 ARG A 19 31.911 12.965 1.145 1.00 0.00 H new ATOM 0 HG2 ARG A 19 32.855 13.136 3.461 1.00 0.00 H new ATOM 0 HG3 ARG A 19 32.570 11.420 3.681 1.00 0.00 H new ATOM 0 HD2 ARG A 19 33.993 11.046 1.572 1.00 0.00 H new ATOM 0 HD3 ARG A 19 34.437 12.738 1.678 1.00 0.00 H new ATOM 0 HE ARG A 19 34.985 11.763 4.220 1.00 0.00 H new ATOM 0 HH11 ARG A 19 35.890 10.879 0.924 1.00 0.00 H new ATOM 0 HH12 ARG A 19 37.461 10.232 1.406 1.00 0.00 H new ATOM 0 HH21 ARG A 19 37.005 10.930 4.831 1.00 0.00 H new ATOM 0 HH22 ARG A 19 38.090 10.261 3.609 1.00 0.00 H new ATOM 373 N ASP A 20 30.585 12.720 4.939 1.00 0.00 N ATOM 374 CA ASP A 20 30.504 12.230 6.310 1.00 0.00 C ATOM 375 C ASP A 20 29.052 12.142 6.770 1.00 0.00 C ATOM 376 O ASP A 20 28.624 11.127 7.321 1.00 0.00 O ATOM 377 CB ASP A 20 31.295 13.142 7.248 1.00 0.00 C ATOM 378 CG ASP A 20 31.114 12.770 8.706 1.00 0.00 C ATOM 379 OD1 ASP A 20 30.096 13.182 9.302 1.00 0.00 O ATOM 380 OD2 ASP A 20 31.990 12.066 9.252 1.00 0.00 O ATOM 0 H ASP A 20 30.987 13.653 4.848 1.00 0.00 H new ATOM 0 HA ASP A 20 30.937 11.230 6.339 1.00 0.00 H new ATOM 0 HB2 ASP A 20 32.353 13.092 6.992 1.00 0.00 H new ATOM 0 HB3 ASP A 20 30.979 14.174 7.098 1.00 0.00 H new ATOM 385 N LEU A 21 28.299 13.212 6.542 1.00 0.00 N ATOM 386 CA LEU A 21 26.894 13.257 6.934 1.00 0.00 C ATOM 387 C LEU A 21 26.104 12.143 6.256 1.00 0.00 C ATOM 388 O LEU A 21 25.306 11.456 6.895 1.00 0.00 O ATOM 389 CB LEU A 21 26.289 14.616 6.580 1.00 0.00 C ATOM 390 CG LEU A 21 24.853 14.854 7.048 1.00 0.00 C ATOM 391 CD1 LEU A 21 24.762 16.133 7.865 1.00 0.00 C ATOM 392 CD2 LEU A 21 23.906 14.910 5.857 1.00 0.00 C ATOM 0 H LEU A 21 28.637 14.060 6.088 1.00 0.00 H new ATOM 0 HA LEU A 21 26.838 13.112 8.013 1.00 0.00 H new ATOM 0 HB2 LEU A 21 26.922 15.395 7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 21 26.321 14.735 5.497 1.00 0.00 H new ATOM 0 HG LEU A 21 24.556 14.020 7.684 1.00 0.00 H new ATOM 0 HD11 LEU A 21 23.732 16.285 8.189 1.00 0.00 H new ATOM 0 HD12 LEU A 21 25.409 16.054 8.738 1.00 0.00 H new ATOM 0 HD13 LEU A 21 25.079 16.978 7.254 1.00 0.00 H new ATOM 0 HD21 LEU A 21 22.888 15.080 6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 21 24.202 15.724 5.195 1.00 0.00 H new ATOM 0 HD23 LEU A 21 23.949 13.966 5.313 1.00 0.00 H new ATOM 404 N LEU A 22 26.331 11.968 4.959 1.00 0.00 N ATOM 405 CA LEU A 22 25.642 10.936 4.193 1.00 0.00 C ATOM 406 C LEU A 22 25.988 9.546 4.718 1.00 0.00 C ATOM 407 O LEU A 22 25.106 8.785 5.118 1.00 0.00 O ATOM 408 CB LEU A 22 26.010 11.040 2.712 1.00 0.00 C ATOM 409 CG LEU A 22 25.195 12.036 1.886 1.00 0.00 C ATOM 410 CD1 LEU A 22 24.673 13.160 2.768 1.00 0.00 C ATOM 411 CD2 LEU A 22 26.032 12.595 0.746 1.00 0.00 C ATOM 0 H LEU A 22 26.988 12.528 4.415 1.00 0.00 H new ATOM 0 HA LEU A 22 24.569 11.091 4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 22 27.063 11.313 2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 22 25.904 10.053 2.262 1.00 0.00 H new ATOM 0 HG LEU A 22 24.341 11.511 1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 22 24.096 13.859 2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 22 24.036 12.744 3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 22 25.513 13.684 3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 22 25.435 13.302 0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 22 26.906 13.104 1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 22 26.355 11.780 0.098 1.00 0.00 H new ATOM 423 N ASP A 23 27.276 9.222 4.716 1.00 0.00 N ATOM 424 CA ASP A 23 27.739 7.925 5.195 1.00 0.00 C ATOM 425 C ASP A 23 27.288 7.684 6.633 1.00 0.00 C ATOM 426 O ASP A 23 26.920 6.568 7.000 1.00 0.00 O ATOM 427 CB ASP A 23 29.264 7.839 5.105 1.00 0.00 C ATOM 428 CG ASP A 23 29.773 6.419 5.248 1.00 0.00 C ATOM 429 OD1 ASP A 23 29.884 5.722 4.218 1.00 0.00 O ATOM 430 OD2 ASP A 23 30.060 6.003 6.391 1.00 0.00 O ATOM 0 H ASP A 23 28.018 9.840 4.388 1.00 0.00 H new ATOM 0 HA ASP A 23 27.301 7.154 4.561 1.00 0.00 H new ATOM 0 HB2 ASP A 23 29.592 8.245 4.148 1.00 0.00 H new ATOM 0 HB3 ASP A 23 29.707 8.461 5.883 1.00 0.00 H new ATOM 435 N LYS A 24 27.319 8.738 7.442 1.00 0.00 N ATOM 436 CA LYS A 24 26.914 8.642 8.839 1.00 0.00 C ATOM 437 C LYS A 24 25.422 8.343 8.953 1.00 0.00 C ATOM 438 O LYS A 24 24.991 7.613 9.846 1.00 0.00 O ATOM 439 CB LYS A 24 27.242 9.942 9.577 1.00 0.00 C ATOM 440 CG LYS A 24 26.797 9.946 11.029 1.00 0.00 C ATOM 441 CD LYS A 24 27.632 8.995 11.871 1.00 0.00 C ATOM 442 CE LYS A 24 27.606 9.383 13.341 1.00 0.00 C ATOM 443 NZ LYS A 24 26.230 9.326 13.906 1.00 0.00 N ATOM 0 H LYS A 24 27.621 9.669 7.154 1.00 0.00 H new ATOM 0 HA LYS A 24 27.468 7.822 9.297 1.00 0.00 H new ATOM 0 HB2 LYS A 24 28.318 10.112 9.535 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.767 10.774 9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 24 26.876 10.956 11.432 1.00 0.00 H new ATOM 0 HG3 LYS A 24 25.747 9.660 11.089 1.00 0.00 H new ATOM 0 HD2 LYS A 24 27.256 7.979 11.755 1.00 0.00 H new ATOM 0 HD3 LYS A 24 28.661 8.997 11.511 1.00 0.00 H new ATOM 0 HE2 LYS A 24 28.258 8.715 13.904 1.00 0.00 H new ATOM 0 HE3 LYS A 24 28.005 10.391 13.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 26.264 9.531 14.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 25.630 10.030 13.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 25.833 8.376 13.757 1.00 0.00 H new ATOM 457 N LYS A 25 24.638 8.910 8.042 1.00 0.00 N ATOM 458 CA LYS A 25 23.195 8.703 8.038 1.00 0.00 C ATOM 459 C LYS A 25 22.851 7.283 7.599 1.00 0.00 C ATOM 460 O LYS A 25 21.858 6.709 8.043 1.00 0.00 O ATOM 461 CB LYS A 25 22.516 9.714 7.112 1.00 0.00 C ATOM 462 CG LYS A 25 21.604 10.687 7.838 1.00 0.00 C ATOM 463 CD LYS A 25 22.380 11.870 8.394 1.00 0.00 C ATOM 464 CE LYS A 25 21.527 12.701 9.340 1.00 0.00 C ATOM 465 NZ LYS A 25 22.301 13.160 10.526 1.00 0.00 N ATOM 0 H LYS A 25 24.978 9.517 7.296 1.00 0.00 H new ATOM 0 HA LYS A 25 22.829 8.849 9.054 1.00 0.00 H new ATOM 0 HB2 LYS A 25 23.282 10.276 6.578 1.00 0.00 H new ATOM 0 HB3 LYS A 25 21.936 9.175 6.363 1.00 0.00 H new ATOM 0 HG2 LYS A 25 20.834 11.045 7.154 1.00 0.00 H new ATOM 0 HG3 LYS A 25 21.093 10.171 8.651 1.00 0.00 H new ATOM 0 HD2 LYS A 25 23.265 11.511 8.920 1.00 0.00 H new ATOM 0 HD3 LYS A 25 22.729 12.496 7.573 1.00 0.00 H new ATOM 0 HE2 LYS A 25 21.132 13.566 8.807 1.00 0.00 H new ATOM 0 HE3 LYS A 25 20.672 12.112 9.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 21.685 13.723 11.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 22.657 12.335 11.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 23.103 13.744 10.213 1.00 0.00 H new ATOM 479 N GLY A 26 23.679 6.722 6.723 1.00 0.00 N ATOM 480 CA GLY A 26 23.445 5.374 6.238 1.00 0.00 C ATOM 481 C GLY A 26 22.899 5.353 4.825 1.00 0.00 C ATOM 482 O GLY A 26 21.957 4.618 4.527 1.00 0.00 O ATOM 0 H GLY A 26 24.508 7.177 6.340 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.378 4.812 6.272 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.744 4.869 6.903 1.00 0.00 H new ATOM 486 N VAL A 27 23.490 6.161 3.951 1.00 0.00 N ATOM 487 CA VAL A 27 23.056 6.232 2.561 1.00 0.00 C ATOM 488 C VAL A 27 24.222 5.989 1.608 1.00 0.00 C ATOM 489 O VAL A 27 25.382 5.968 2.021 1.00 0.00 O ATOM 490 CB VAL A 27 22.422 7.599 2.240 1.00 0.00 C ATOM 491 CG1 VAL A 27 20.956 7.615 2.643 1.00 0.00 C ATOM 492 CG2 VAL A 27 23.187 8.716 2.933 1.00 0.00 C ATOM 0 H VAL A 27 24.271 6.776 4.181 1.00 0.00 H new ATOM 0 HA VAL A 27 22.308 5.451 2.423 1.00 0.00 H new ATOM 0 HB VAL A 27 22.480 7.764 1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.525 8.588 2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.420 6.840 2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 27 20.871 7.429 3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.726 9.675 2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 27 23.163 8.559 4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 27 24.221 8.716 2.589 1.00 0.00 H new ATOM 502 N LYS A 28 23.906 5.805 0.331 1.00 0.00 N ATOM 503 CA LYS A 28 24.926 5.565 -0.683 1.00 0.00 C ATOM 504 C LYS A 28 25.076 6.773 -1.602 1.00 0.00 C ATOM 505 O LYS A 28 24.237 7.012 -2.470 1.00 0.00 O ATOM 506 CB LYS A 28 24.573 4.324 -1.507 1.00 0.00 C ATOM 507 CG LYS A 28 25.432 3.114 -1.183 1.00 0.00 C ATOM 508 CD LYS A 28 26.802 3.213 -1.831 1.00 0.00 C ATOM 509 CE LYS A 28 27.906 2.806 -0.866 1.00 0.00 C ATOM 510 NZ LYS A 28 28.901 1.905 -1.510 1.00 0.00 N ATOM 0 H LYS A 28 22.951 5.817 -0.027 1.00 0.00 H new ATOM 0 HA LYS A 28 25.876 5.398 -0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 28 23.526 4.072 -1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 28 24.677 4.560 -2.566 1.00 0.00 H new ATOM 0 HG2 LYS A 28 25.545 3.026 -0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 28 24.931 2.209 -1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 28 26.835 2.574 -2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 28 26.972 4.235 -2.170 1.00 0.00 H new ATOM 0 HE2 LYS A 28 28.411 3.698 -0.495 1.00 0.00 H new ATOM 0 HE3 LYS A 28 27.468 2.305 -0.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 29.636 1.650 -0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 28.424 1.042 -1.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 29.338 2.392 -2.318 1.00 0.00 H new ATOM 524 N TYR A 29 26.150 7.530 -1.405 1.00 0.00 N ATOM 525 CA TYR A 29 26.409 8.714 -2.216 1.00 0.00 C ATOM 526 C TYR A 29 27.351 8.388 -3.371 1.00 0.00 C ATOM 527 O TYR A 29 28.288 7.604 -3.222 1.00 0.00 O ATOM 528 CB TYR A 29 27.006 9.827 -1.354 1.00 0.00 C ATOM 529 CG TYR A 29 28.434 9.565 -0.931 1.00 0.00 C ATOM 530 CD1 TYR A 29 29.498 9.908 -1.755 1.00 0.00 C ATOM 531 CD2 TYR A 29 28.719 8.974 0.294 1.00 0.00 C ATOM 532 CE1 TYR A 29 30.804 9.670 -1.373 1.00 0.00 C ATOM 533 CE2 TYR A 29 30.022 8.733 0.685 1.00 0.00 C ATOM 534 CZ TYR A 29 31.061 9.082 -0.152 1.00 0.00 C ATOM 535 OH TYR A 29 32.360 8.844 0.233 1.00 0.00 O ATOM 0 H TYR A 29 26.855 7.345 -0.691 1.00 0.00 H new ATOM 0 HA TYR A 29 25.460 9.054 -2.631 1.00 0.00 H new ATOM 0 HB2 TYR A 29 26.966 10.765 -1.908 1.00 0.00 H new ATOM 0 HB3 TYR A 29 26.390 9.956 -0.464 1.00 0.00 H new ATOM 0 HD1 TYR A 29 29.301 10.369 -2.712 1.00 0.00 H new ATOM 0 HD2 TYR A 29 27.908 8.698 0.952 1.00 0.00 H new ATOM 0 HE1 TYR A 29 31.619 9.943 -2.027 1.00 0.00 H new ATOM 0 HE2 TYR A 29 30.226 8.274 1.641 1.00 0.00 H new ATOM 0 HH TYR A 29 32.367 8.426 1.119 1.00 0.00 H new ATOM 545 N THR A 30 27.095 8.997 -4.524 1.00 0.00 N ATOM 546 CA THR A 30 27.918 8.773 -5.706 1.00 0.00 C ATOM 547 C THR A 30 28.796 9.984 -6.002 1.00 0.00 C ATOM 548 O THR A 30 28.300 11.100 -6.152 1.00 0.00 O ATOM 549 CB THR A 30 27.053 8.466 -6.943 1.00 0.00 C ATOM 550 OG1 THR A 30 26.373 7.218 -6.767 1.00 0.00 O ATOM 551 CG2 THR A 30 27.908 8.410 -8.200 1.00 0.00 C ATOM 0 H THR A 30 26.324 9.650 -4.665 1.00 0.00 H new ATOM 0 HA THR A 30 28.551 7.912 -5.492 1.00 0.00 H new ATOM 0 HB THR A 30 26.321 9.266 -7.055 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.824 7.031 -7.557 1.00 0.00 H new ATOM 0 HG21 THR A 30 27.276 8.192 -9.061 1.00 0.00 H new ATOM 0 HG22 THR A 30 28.402 9.370 -8.347 1.00 0.00 H new ATOM 0 HG23 THR A 30 28.659 7.628 -8.094 1.00 0.00 H new ATOM 559 N ASP A 31 30.102 9.755 -6.086 1.00 0.00 N ATOM 560 CA ASP A 31 31.050 10.827 -6.366 1.00 0.00 C ATOM 561 C ASP A 31 31.294 10.958 -7.867 1.00 0.00 C ATOM 562 O ASP A 31 31.882 10.073 -8.489 1.00 0.00 O ATOM 563 CB ASP A 31 32.372 10.571 -5.642 1.00 0.00 C ATOM 564 CG ASP A 31 33.481 11.488 -6.119 1.00 0.00 C ATOM 565 OD1 ASP A 31 34.132 11.155 -7.131 1.00 0.00 O ATOM 566 OD2 ASP A 31 33.698 12.539 -5.480 1.00 0.00 O ATOM 0 H ASP A 31 30.528 8.836 -5.964 1.00 0.00 H new ATOM 0 HA ASP A 31 30.622 11.761 -6.003 1.00 0.00 H new ATOM 0 HB2 ASP A 31 32.228 10.707 -4.570 1.00 0.00 H new ATOM 0 HB3 ASP A 31 32.671 9.534 -5.794 1.00 0.00 H new ATOM 571 N ILE A 32 30.838 12.066 -8.441 1.00 0.00 N ATOM 572 CA ILE A 32 31.008 12.311 -9.868 1.00 0.00 C ATOM 573 C ILE A 32 32.249 13.155 -10.137 1.00 0.00 C ATOM 574 O ILE A 32 32.340 14.301 -9.696 1.00 0.00 O ATOM 575 CB ILE A 32 29.779 13.021 -10.467 1.00 0.00 C ATOM 576 CG1 ILE A 32 28.506 12.227 -10.163 1.00 0.00 C ATOM 577 CG2 ILE A 32 29.951 13.202 -11.967 1.00 0.00 C ATOM 578 CD1 ILE A 32 28.551 10.800 -10.662 1.00 0.00 C ATOM 0 H ILE A 32 30.348 12.808 -7.941 1.00 0.00 H new ATOM 0 HA ILE A 32 31.124 11.337 -10.344 1.00 0.00 H new ATOM 0 HB ILE A 32 29.688 14.006 -10.010 1.00 0.00 H new ATOM 0 HG12 ILE A 32 28.339 12.222 -9.086 1.00 0.00 H new ATOM 0 HG13 ILE A 32 27.654 12.735 -10.615 1.00 0.00 H new ATOM 0 HG21 ILE A 32 29.075 13.705 -12.376 1.00 0.00 H new ATOM 0 HG22 ILE A 32 30.839 13.804 -12.161 1.00 0.00 H new ATOM 0 HG23 ILE A 32 30.063 12.227 -12.441 1.00 0.00 H new ATOM 0 HD11 ILE A 32 27.617 10.297 -10.412 1.00 0.00 H new ATOM 0 HD12 ILE A 32 28.687 10.797 -11.744 1.00 0.00 H new ATOM 0 HD13 ILE A 32 29.382 10.276 -10.191 1.00 0.00 H new ATOM 590 N ASP A 33 33.201 12.582 -10.863 1.00 0.00 N ATOM 591 CA ASP A 33 34.437 13.282 -11.194 1.00 0.00 C ATOM 592 C ASP A 33 34.148 14.538 -12.010 1.00 0.00 C ATOM 593 O ASP A 33 33.241 14.555 -12.842 1.00 0.00 O ATOM 594 CB ASP A 33 35.379 12.360 -11.971 1.00 0.00 C ATOM 595 CG ASP A 33 36.052 11.336 -11.078 1.00 0.00 C ATOM 596 OD1 ASP A 33 36.268 11.639 -9.887 1.00 0.00 O ATOM 597 OD2 ASP A 33 36.364 10.232 -11.572 1.00 0.00 O ATOM 0 H ASP A 33 33.141 11.634 -11.234 1.00 0.00 H new ATOM 0 HA ASP A 33 34.918 13.578 -10.262 1.00 0.00 H new ATOM 0 HB2 ASP A 33 34.818 11.845 -12.751 1.00 0.00 H new ATOM 0 HB3 ASP A 33 36.140 12.960 -12.470 1.00 0.00 H new ATOM 602 N ALA A 34 34.925 15.588 -11.765 1.00 0.00 N ATOM 603 CA ALA A 34 34.752 16.848 -12.477 1.00 0.00 C ATOM 604 C ALA A 34 34.745 16.630 -13.986 1.00 0.00 C ATOM 605 O ALA A 34 34.191 17.433 -14.737 1.00 0.00 O ATOM 606 CB ALA A 34 35.850 17.828 -12.089 1.00 0.00 C ATOM 0 H ALA A 34 35.680 15.591 -11.079 1.00 0.00 H new ATOM 0 HA ALA A 34 33.787 17.268 -12.193 1.00 0.00 H new ATOM 0 HB1 ALA A 34 35.709 18.765 -12.628 1.00 0.00 H new ATOM 0 HB2 ALA A 34 35.807 18.017 -11.016 1.00 0.00 H new ATOM 0 HB3 ALA A 34 36.822 17.405 -12.344 1.00 0.00 H new ATOM 612 N SER A 35 35.364 15.538 -14.424 1.00 0.00 N ATOM 613 CA SER A 35 35.432 15.216 -15.845 1.00 0.00 C ATOM 614 C SER A 35 34.057 15.335 -16.496 1.00 0.00 C ATOM 615 O SER A 35 33.129 14.601 -16.154 1.00 0.00 O ATOM 616 CB SER A 35 35.982 13.802 -16.043 1.00 0.00 C ATOM 617 OG SER A 35 37.125 13.582 -15.236 1.00 0.00 O ATOM 0 H SER A 35 35.825 14.862 -13.816 1.00 0.00 H new ATOM 0 HA SER A 35 36.103 15.930 -16.322 1.00 0.00 H new ATOM 0 HB2 SER A 35 35.212 13.071 -15.796 1.00 0.00 H new ATOM 0 HB3 SER A 35 36.239 13.652 -17.092 1.00 0.00 H new ATOM 0 HG SER A 35 37.456 12.671 -15.379 1.00 0.00 H new ATOM 623 N THR A 36 33.933 16.267 -17.436 1.00 0.00 N ATOM 624 CA THR A 36 32.673 16.484 -18.135 1.00 0.00 C ATOM 625 C THR A 36 32.264 15.249 -18.929 1.00 0.00 C ATOM 626 O THR A 36 31.086 15.054 -19.229 1.00 0.00 O ATOM 627 CB THR A 36 32.761 17.689 -19.090 1.00 0.00 C ATOM 628 OG1 THR A 36 33.953 17.603 -19.879 1.00 0.00 O ATOM 629 CG2 THR A 36 32.755 18.997 -18.314 1.00 0.00 C ATOM 0 H THR A 36 34.690 16.884 -17.731 1.00 0.00 H new ATOM 0 HA THR A 36 31.920 16.688 -17.373 1.00 0.00 H new ATOM 0 HB THR A 36 31.890 17.669 -19.745 1.00 0.00 H new ATOM 0 HG1 THR A 36 34.001 18.372 -20.485 1.00 0.00 H new ATOM 0 HG21 THR A 36 32.818 19.833 -19.010 1.00 0.00 H new ATOM 0 HG22 THR A 36 31.833 19.074 -17.737 1.00 0.00 H new ATOM 0 HG23 THR A 36 33.609 19.023 -17.638 1.00 0.00 H new ATOM 637 N SER A 37 33.244 14.417 -19.267 1.00 0.00 N ATOM 638 CA SER A 37 32.986 13.202 -20.030 1.00 0.00 C ATOM 639 C SER A 37 31.865 12.387 -19.392 1.00 0.00 C ATOM 640 O SER A 37 31.105 11.707 -20.082 1.00 0.00 O ATOM 641 CB SER A 37 34.256 12.355 -20.125 1.00 0.00 C ATOM 642 OG SER A 37 35.035 12.470 -18.947 1.00 0.00 O ATOM 0 H SER A 37 34.224 14.562 -19.024 1.00 0.00 H new ATOM 0 HA SER A 37 32.675 13.492 -21.034 1.00 0.00 H new ATOM 0 HB2 SER A 37 33.989 11.311 -20.288 1.00 0.00 H new ATOM 0 HB3 SER A 37 34.844 12.672 -20.986 1.00 0.00 H new ATOM 0 HG SER A 37 35.840 11.918 -19.032 1.00 0.00 H new ATOM 648 N LEU A 38 31.767 12.463 -18.069 1.00 0.00 N ATOM 649 CA LEU A 38 30.739 11.733 -17.335 1.00 0.00 C ATOM 650 C LEU A 38 29.901 12.681 -16.484 1.00 0.00 C ATOM 651 O LEU A 38 28.742 12.398 -16.179 1.00 0.00 O ATOM 652 CB LEU A 38 31.379 10.664 -16.448 1.00 0.00 C ATOM 653 CG LEU A 38 31.758 9.355 -17.141 1.00 0.00 C ATOM 654 CD1 LEU A 38 30.527 8.693 -17.742 1.00 0.00 C ATOM 655 CD2 LEU A 38 32.808 9.604 -18.213 1.00 0.00 C ATOM 0 H LEU A 38 32.387 13.022 -17.483 1.00 0.00 H new ATOM 0 HA LEU A 38 30.084 11.250 -18.060 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.277 11.086 -15.996 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.690 10.435 -15.635 1.00 0.00 H new ATOM 0 HG LEU A 38 32.181 8.681 -16.396 1.00 0.00 H new ATOM 0 HD11 LEU A 38 30.816 7.763 -18.231 1.00 0.00 H new ATOM 0 HD12 LEU A 38 29.807 8.479 -16.952 1.00 0.00 H new ATOM 0 HD13 LEU A 38 30.075 9.362 -18.474 1.00 0.00 H new ATOM 0 HD21 LEU A 38 33.066 8.661 -18.696 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.412 10.296 -18.956 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.700 10.033 -17.756 1.00 0.00 H new ATOM 667 N ARG A 39 30.494 13.809 -16.104 1.00 0.00 N ATOM 668 CA ARG A 39 29.802 14.800 -15.289 1.00 0.00 C ATOM 669 C ARG A 39 28.783 15.572 -16.122 1.00 0.00 C ATOM 670 O ARG A 39 27.662 15.817 -15.676 1.00 0.00 O ATOM 671 CB ARG A 39 30.807 15.769 -14.665 1.00 0.00 C ATOM 672 CG ARG A 39 30.168 17.023 -14.092 1.00 0.00 C ATOM 673 CD ARG A 39 31.165 17.837 -13.281 1.00 0.00 C ATOM 674 NE ARG A 39 31.809 18.872 -14.086 1.00 0.00 N ATOM 675 CZ ARG A 39 32.710 19.722 -13.605 1.00 0.00 C ATOM 676 NH1 ARG A 39 33.071 19.659 -12.331 1.00 0.00 N ATOM 677 NH2 ARG A 39 33.251 20.636 -14.400 1.00 0.00 N ATOM 0 H ARG A 39 31.452 14.059 -16.348 1.00 0.00 H new ATOM 0 HA ARG A 39 29.272 14.275 -14.494 1.00 0.00 H new ATOM 0 HB2 ARG A 39 31.352 15.255 -13.873 1.00 0.00 H new ATOM 0 HB3 ARG A 39 31.539 16.057 -15.420 1.00 0.00 H new ATOM 0 HG2 ARG A 39 29.772 17.634 -14.903 1.00 0.00 H new ATOM 0 HG3 ARG A 39 29.324 16.746 -13.461 1.00 0.00 H new ATOM 0 HD2 ARG A 39 30.654 18.300 -12.437 1.00 0.00 H new ATOM 0 HD3 ARG A 39 31.925 17.173 -12.869 1.00 0.00 H new ATOM 0 HE ARG A 39 31.553 18.946 -15.071 1.00 0.00 H new ATOM 0 HH11 ARG A 39 32.657 18.957 -11.718 1.00 0.00 H new ATOM 0 HH12 ARG A 39 33.763 20.313 -11.964 1.00 0.00 H new ATOM 0 HH21 ARG A 39 32.975 20.686 -15.381 1.00 0.00 H new ATOM 0 HH22 ARG A 39 33.943 21.288 -14.030 1.00 0.00 H new ATOM 691 N GLN A 40 29.182 15.953 -17.331 1.00 0.00 N ATOM 692 CA GLN A 40 28.303 16.699 -18.225 1.00 0.00 C ATOM 693 C GLN A 40 27.070 15.878 -18.587 1.00 0.00 C ATOM 694 O GLN A 40 25.945 16.371 -18.524 1.00 0.00 O ATOM 695 CB GLN A 40 29.055 17.100 -19.495 1.00 0.00 C ATOM 696 CG GLN A 40 28.277 18.054 -20.387 1.00 0.00 C ATOM 697 CD GLN A 40 28.574 17.851 -21.859 1.00 0.00 C ATOM 698 OE1 GLN A 40 29.464 18.492 -22.419 1.00 0.00 O ATOM 699 NE2 GLN A 40 27.828 16.955 -22.496 1.00 0.00 N ATOM 0 H GLN A 40 30.107 15.758 -17.714 1.00 0.00 H new ATOM 0 HA GLN A 40 27.976 17.599 -17.705 1.00 0.00 H new ATOM 0 HB2 GLN A 40 30.000 17.566 -19.216 1.00 0.00 H new ATOM 0 HB3 GLN A 40 29.298 16.202 -20.062 1.00 0.00 H new ATOM 0 HG2 GLN A 40 27.209 17.918 -20.214 1.00 0.00 H new ATOM 0 HG3 GLN A 40 28.517 19.081 -20.110 1.00 0.00 H new ATOM 0 HE21 GLN A 40 27.101 16.446 -21.993 1.00 0.00 H new ATOM 0 HE22 GLN A 40 27.982 16.776 -23.488 1.00 0.00 H new ATOM 708 N GLU A 41 27.291 14.623 -18.965 1.00 0.00 N ATOM 709 CA GLU A 41 26.197 13.734 -19.338 1.00 0.00 C ATOM 710 C GLU A 41 25.311 13.427 -18.134 1.00 0.00 C ATOM 711 O GLU A 41 24.086 13.519 -18.212 1.00 0.00 O ATOM 712 CB GLU A 41 26.745 12.432 -19.926 1.00 0.00 C ATOM 713 CG GLU A 41 27.757 11.738 -19.029 1.00 0.00 C ATOM 714 CD GLU A 41 27.133 10.645 -18.182 1.00 0.00 C ATOM 715 OE1 GLU A 41 25.887 10.559 -18.151 1.00 0.00 O ATOM 716 OE2 GLU A 41 27.889 9.878 -17.552 1.00 0.00 O ATOM 0 H GLU A 41 28.217 14.199 -19.021 1.00 0.00 H new ATOM 0 HA GLU A 41 25.594 14.239 -20.092 1.00 0.00 H new ATOM 0 HB2 GLU A 41 25.915 11.752 -20.117 1.00 0.00 H new ATOM 0 HB3 GLU A 41 27.211 12.645 -20.888 1.00 0.00 H new ATOM 0 HG2 GLU A 41 28.548 11.309 -19.644 1.00 0.00 H new ATOM 0 HG3 GLU A 41 28.225 12.475 -18.377 1.00 0.00 H new ATOM 723 N MET A 42 25.939 13.063 -17.021 1.00 0.00 N ATOM 724 CA MET A 42 25.208 12.743 -15.801 1.00 0.00 C ATOM 725 C MET A 42 24.412 13.949 -15.312 1.00 0.00 C ATOM 726 O MET A 42 23.218 13.844 -15.030 1.00 0.00 O ATOM 727 CB MET A 42 26.174 12.279 -14.709 1.00 0.00 C ATOM 728 CG MET A 42 25.480 11.668 -13.502 1.00 0.00 C ATOM 729 SD MET A 42 25.576 9.868 -13.484 1.00 0.00 S ATOM 730 CE MET A 42 27.348 9.624 -13.395 1.00 0.00 C ATOM 0 H MET A 42 26.952 12.982 -16.939 1.00 0.00 H new ATOM 0 HA MET A 42 24.511 11.936 -16.026 1.00 0.00 H new ATOM 0 HB2 MET A 42 26.862 11.547 -15.131 1.00 0.00 H new ATOM 0 HB3 MET A 42 26.774 13.128 -14.381 1.00 0.00 H new ATOM 0 HG2 MET A 42 25.931 12.061 -12.591 1.00 0.00 H new ATOM 0 HG3 MET A 42 24.433 11.972 -13.497 1.00 0.00 H new ATOM 0 HE1 MET A 42 27.687 9.090 -14.283 1.00 0.00 H new ATOM 0 HE2 MET A 42 27.846 10.592 -13.342 1.00 0.00 H new ATOM 0 HE3 MET A 42 27.591 9.041 -12.506 1.00 0.00 H new ATOM 740 N VAL A 43 25.081 15.094 -15.214 1.00 0.00 N ATOM 741 CA VAL A 43 24.435 16.320 -14.761 1.00 0.00 C ATOM 742 C VAL A 43 23.240 16.670 -15.641 1.00 0.00 C ATOM 743 O VAL A 43 22.147 16.938 -15.142 1.00 0.00 O ATOM 744 CB VAL A 43 25.419 17.504 -14.756 1.00 0.00 C ATOM 745 CG1 VAL A 43 24.668 18.824 -14.843 1.00 0.00 C ATOM 746 CG2 VAL A 43 26.297 17.462 -13.515 1.00 0.00 C ATOM 0 H VAL A 43 26.070 15.198 -15.442 1.00 0.00 H new ATOM 0 HA VAL A 43 24.091 16.138 -13.743 1.00 0.00 H new ATOM 0 HB VAL A 43 26.063 17.422 -15.632 1.00 0.00 H new ATOM 0 HG11 VAL A 43 25.380 19.649 -14.838 1.00 0.00 H new ATOM 0 HG12 VAL A 43 24.087 18.852 -15.765 1.00 0.00 H new ATOM 0 HG13 VAL A 43 23.998 18.918 -13.989 1.00 0.00 H new ATOM 0 HG21 VAL A 43 26.986 18.306 -13.528 1.00 0.00 H new ATOM 0 HG22 VAL A 43 25.671 17.518 -12.624 1.00 0.00 H new ATOM 0 HG23 VAL A 43 26.864 16.531 -13.502 1.00 0.00 H new ATOM 756 N GLN A 44 23.456 16.664 -16.952 1.00 0.00 N ATOM 757 CA GLN A 44 22.396 16.981 -17.902 1.00 0.00 C ATOM 758 C GLN A 44 21.172 16.102 -17.665 1.00 0.00 C ATOM 759 O GLN A 44 20.043 16.591 -17.623 1.00 0.00 O ATOM 760 CB GLN A 44 22.897 16.803 -19.336 1.00 0.00 C ATOM 761 CG GLN A 44 23.766 17.950 -19.824 1.00 0.00 C ATOM 762 CD GLN A 44 24.655 17.556 -20.986 1.00 0.00 C ATOM 763 OE1 GLN A 44 25.105 16.413 -21.079 1.00 0.00 O ATOM 764 NE2 GLN A 44 24.914 18.501 -21.882 1.00 0.00 N ATOM 0 H GLN A 44 24.355 16.443 -17.381 1.00 0.00 H new ATOM 0 HA GLN A 44 22.108 18.022 -17.752 1.00 0.00 H new ATOM 0 HB2 GLN A 44 23.465 15.875 -19.401 1.00 0.00 H new ATOM 0 HB3 GLN A 44 22.040 16.699 -20.001 1.00 0.00 H new ATOM 0 HG2 GLN A 44 23.128 18.781 -20.125 1.00 0.00 H new ATOM 0 HG3 GLN A 44 24.386 18.306 -19.002 1.00 0.00 H new ATOM 0 HE21 GLN A 44 24.521 19.435 -21.766 1.00 0.00 H new ATOM 0 HE22 GLN A 44 25.506 18.293 -22.686 1.00 0.00 H new ATOM 773 N ARG A 45 21.404 14.802 -17.511 1.00 0.00 N ATOM 774 CA ARG A 45 20.320 13.855 -17.280 1.00 0.00 C ATOM 775 C ARG A 45 19.863 13.896 -15.825 1.00 0.00 C ATOM 776 O ARG A 45 18.839 13.314 -15.469 1.00 0.00 O ATOM 777 CB ARG A 45 20.766 12.438 -17.646 1.00 0.00 C ATOM 778 CG ARG A 45 20.912 12.213 -19.142 1.00 0.00 C ATOM 779 CD ARG A 45 20.783 10.740 -19.499 1.00 0.00 C ATOM 780 NE ARG A 45 19.459 10.213 -19.180 1.00 0.00 N ATOM 781 CZ ARG A 45 19.059 8.987 -19.498 1.00 0.00 C ATOM 782 NH1 ARG A 45 19.878 8.165 -20.140 1.00 0.00 N ATOM 783 NH2 ARG A 45 17.838 8.581 -19.174 1.00 0.00 N ATOM 0 H ARG A 45 22.333 14.381 -17.542 1.00 0.00 H new ATOM 0 HA ARG A 45 19.481 14.140 -17.914 1.00 0.00 H new ATOM 0 HB2 ARG A 45 21.720 12.230 -17.161 1.00 0.00 H new ATOM 0 HB3 ARG A 45 20.044 11.725 -17.249 1.00 0.00 H new ATOM 0 HG2 ARG A 45 20.151 12.785 -19.673 1.00 0.00 H new ATOM 0 HG3 ARG A 45 21.881 12.586 -19.474 1.00 0.00 H new ATOM 0 HD2 ARG A 45 20.980 10.606 -20.563 1.00 0.00 H new ATOM 0 HD3 ARG A 45 21.540 10.169 -18.961 1.00 0.00 H new ATOM 0 HE ARG A 45 18.805 10.820 -18.686 1.00 0.00 H new ATOM 0 HH11 ARG A 45 20.817 8.474 -20.391 1.00 0.00 H new ATOM 0 HH12 ARG A 45 19.569 7.224 -20.383 1.00 0.00 H new ATOM 0 HH21 ARG A 45 17.205 9.211 -18.680 1.00 0.00 H new ATOM 0 HH22 ARG A 45 17.532 7.639 -19.419 1.00 0.00 H new ATOM 797 N ALA A 46 20.631 14.587 -14.988 1.00 0.00 N ATOM 798 CA ALA A 46 20.304 14.705 -13.573 1.00 0.00 C ATOM 799 C ALA A 46 19.249 15.782 -13.341 1.00 0.00 C ATOM 800 O ALA A 46 18.324 15.598 -12.551 1.00 0.00 O ATOM 801 CB ALA A 46 21.557 15.009 -12.765 1.00 0.00 C ATOM 0 H ALA A 46 21.484 15.073 -15.266 1.00 0.00 H new ATOM 0 HA ALA A 46 19.892 13.752 -13.240 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.298 15.094 -11.710 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.279 14.204 -12.897 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.993 15.947 -13.109 1.00 0.00 H new ATOM 807 N ASN A 47 19.395 16.906 -14.035 1.00 0.00 N ATOM 808 CA ASN A 47 18.454 18.013 -13.903 1.00 0.00 C ATOM 809 C ASN A 47 17.759 18.297 -15.231 1.00 0.00 C ATOM 810 O ASN A 47 16.548 18.510 -15.276 1.00 0.00 O ATOM 811 CB ASN A 47 19.179 19.270 -13.415 1.00 0.00 C ATOM 812 CG ASN A 47 20.177 19.792 -14.430 1.00 0.00 C ATOM 813 OD1 ASN A 47 19.815 20.518 -15.356 1.00 0.00 O ATOM 814 ND2 ASN A 47 21.441 19.424 -14.260 1.00 0.00 N ATOM 0 H ASN A 47 20.155 17.074 -14.694 1.00 0.00 H new ATOM 0 HA ASN A 47 17.698 17.730 -13.171 1.00 0.00 H new ATOM 0 HB2 ASN A 47 18.446 20.047 -13.197 1.00 0.00 H new ATOM 0 HB3 ASN A 47 19.696 19.049 -12.481 1.00 0.00 H new ATOM 0 HD21 ASN A 47 22.157 19.744 -14.911 1.00 0.00 H new ATOM 0 HD22 ASN A 47 21.696 18.821 -13.478 1.00 0.00 H new ATOM 821 N GLY A 48 18.534 18.296 -16.311 1.00 0.00 N ATOM 822 CA GLY A 48 17.975 18.554 -17.625 1.00 0.00 C ATOM 823 C GLY A 48 18.966 19.227 -18.555 1.00 0.00 C ATOM 824 O GLY A 48 18.769 19.252 -19.770 1.00 0.00 O ATOM 0 H GLY A 48 19.539 18.121 -16.299 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.647 17.614 -18.068 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.091 19.184 -17.523 1.00 0.00 H new ATOM 828 N ARG A 49 20.033 19.776 -17.983 1.00 0.00 N ATOM 829 CA ARG A 49 21.056 20.455 -18.768 1.00 0.00 C ATOM 830 C ARG A 49 22.369 20.537 -17.996 1.00 0.00 C ATOM 831 O ARG A 49 22.392 20.392 -16.774 1.00 0.00 O ATOM 832 CB ARG A 49 20.587 21.861 -19.149 1.00 0.00 C ATOM 833 CG ARG A 49 21.478 22.543 -20.174 1.00 0.00 C ATOM 834 CD ARG A 49 20.865 23.845 -20.666 1.00 0.00 C ATOM 835 NE ARG A 49 21.782 24.592 -21.524 1.00 0.00 N ATOM 836 CZ ARG A 49 21.415 25.636 -22.258 1.00 0.00 C ATOM 837 NH1 ARG A 49 20.158 26.055 -22.238 1.00 0.00 N ATOM 838 NH2 ARG A 49 22.308 26.264 -23.012 1.00 0.00 N ATOM 0 H ARG A 49 20.211 19.764 -16.979 1.00 0.00 H new ATOM 0 HA ARG A 49 21.225 19.877 -19.676 1.00 0.00 H new ATOM 0 HB2 ARG A 49 19.573 21.802 -19.544 1.00 0.00 H new ATOM 0 HB3 ARG A 49 20.544 22.477 -18.250 1.00 0.00 H new ATOM 0 HG2 ARG A 49 22.455 22.743 -19.733 1.00 0.00 H new ATOM 0 HG3 ARG A 49 21.641 21.874 -21.019 1.00 0.00 H new ATOM 0 HD2 ARG A 49 19.949 23.629 -21.216 1.00 0.00 H new ATOM 0 HD3 ARG A 49 20.586 24.460 -19.811 1.00 0.00 H new ATOM 0 HE ARG A 49 22.757 24.295 -21.561 1.00 0.00 H new ATOM 0 HH11 ARG A 49 19.470 25.575 -21.658 1.00 0.00 H new ATOM 0 HH12 ARG A 49 19.879 26.857 -22.803 1.00 0.00 H new ATOM 0 HH21 ARG A 49 23.277 25.945 -23.028 1.00 0.00 H new ATOM 0 HH22 ARG A 49 22.026 27.066 -23.576 1.00 0.00 H new ATOM 852 N ASN A 50 23.461 20.770 -18.717 1.00 0.00 N ATOM 853 CA ASN A 50 24.778 20.870 -18.100 1.00 0.00 C ATOM 854 C ASN A 50 24.970 22.235 -17.446 1.00 0.00 C ATOM 855 O ASN A 50 24.307 23.208 -17.807 1.00 0.00 O ATOM 856 CB ASN A 50 25.873 20.633 -19.143 1.00 0.00 C ATOM 857 CG ASN A 50 25.948 21.751 -20.165 1.00 0.00 C ATOM 858 OD1 ASN A 50 25.401 21.641 -21.263 1.00 0.00 O ATOM 859 ND2 ASN A 50 26.629 22.834 -19.808 1.00 0.00 N ATOM 0 H ASN A 50 23.459 20.893 -19.730 1.00 0.00 H new ATOM 0 HA ASN A 50 24.849 20.104 -17.328 1.00 0.00 H new ATOM 0 HB2 ASN A 50 26.836 20.538 -18.640 1.00 0.00 H new ATOM 0 HB3 ASN A 50 25.686 19.689 -19.654 1.00 0.00 H new ATOM 0 HD21 ASN A 50 26.715 23.618 -20.454 1.00 0.00 H new ATOM 0 HD22 ASN A 50 27.066 22.881 -18.888 1.00 0.00 H new ATOM 866 N THR A 51 25.883 22.300 -16.481 1.00 0.00 N ATOM 867 CA THR A 51 26.163 23.544 -15.776 1.00 0.00 C ATOM 868 C THR A 51 27.317 23.373 -14.795 1.00 0.00 C ATOM 869 O THR A 51 27.986 22.339 -14.782 1.00 0.00 O ATOM 870 CB THR A 51 24.924 24.047 -15.011 1.00 0.00 C ATOM 871 OG1 THR A 51 25.110 25.412 -14.621 1.00 0.00 O ATOM 872 CG2 THR A 51 24.665 23.193 -13.779 1.00 0.00 C ATOM 0 H THR A 51 26.441 21.505 -16.170 1.00 0.00 H new ATOM 0 HA THR A 51 26.438 24.280 -16.531 1.00 0.00 H new ATOM 0 HB THR A 51 24.061 23.973 -15.673 1.00 0.00 H new ATOM 0 HG1 THR A 51 25.103 25.477 -13.643 1.00 0.00 H new ATOM 0 HG21 THR A 51 23.785 23.567 -13.255 1.00 0.00 H new ATOM 0 HG22 THR A 51 24.495 22.160 -14.082 1.00 0.00 H new ATOM 0 HG23 THR A 51 25.529 23.239 -13.116 1.00 0.00 H new ATOM 880 N PHE A 52 27.544 24.392 -13.973 1.00 0.00 N ATOM 881 CA PHE A 52 28.619 24.354 -12.987 1.00 0.00 C ATOM 882 C PHE A 52 28.425 23.192 -12.017 1.00 0.00 C ATOM 883 O PHE A 52 27.320 22.681 -11.833 1.00 0.00 O ATOM 884 CB PHE A 52 28.678 25.673 -12.215 1.00 0.00 C ATOM 885 CG PHE A 52 27.336 26.151 -11.741 1.00 0.00 C ATOM 886 CD1 PHE A 52 26.724 25.564 -10.645 1.00 0.00 C ATOM 887 CD2 PHE A 52 26.686 27.188 -12.391 1.00 0.00 C ATOM 888 CE1 PHE A 52 25.489 26.002 -10.206 1.00 0.00 C ATOM 889 CE2 PHE A 52 25.451 27.630 -11.956 1.00 0.00 C ATOM 890 CZ PHE A 52 24.851 27.036 -10.863 1.00 0.00 C ATOM 0 H PHE A 52 26.999 25.254 -13.970 1.00 0.00 H new ATOM 0 HA PHE A 52 29.560 24.209 -13.517 1.00 0.00 H new ATOM 0 HB2 PHE A 52 29.336 25.552 -11.355 1.00 0.00 H new ATOM 0 HB3 PHE A 52 29.123 26.438 -12.852 1.00 0.00 H new ATOM 0 HD1 PHE A 52 27.218 24.755 -10.128 1.00 0.00 H new ATOM 0 HD2 PHE A 52 27.150 27.656 -13.247 1.00 0.00 H new ATOM 0 HE1 PHE A 52 25.023 25.536 -9.350 1.00 0.00 H new ATOM 0 HE2 PHE A 52 24.955 28.440 -12.471 1.00 0.00 H new ATOM 0 HZ PHE A 52 23.885 27.379 -10.523 1.00 0.00 H new ATOM 900 N PRO A 53 29.526 22.763 -11.382 1.00 0.00 N ATOM 901 CA PRO A 53 29.504 21.657 -10.419 1.00 0.00 C ATOM 902 C PRO A 53 28.783 22.027 -9.128 1.00 0.00 C ATOM 903 O PRO A 53 28.715 23.199 -8.759 1.00 0.00 O ATOM 904 CB PRO A 53 30.988 21.394 -10.148 1.00 0.00 C ATOM 905 CG PRO A 53 31.661 22.691 -10.439 1.00 0.00 C ATOM 906 CD PRO A 53 30.876 23.325 -11.553 1.00 0.00 C ATOM 0 HA PRO A 53 28.967 20.790 -10.805 1.00 0.00 H new ATOM 0 HB2 PRO A 53 31.153 21.085 -9.116 1.00 0.00 H new ATOM 0 HB3 PRO A 53 31.372 20.597 -10.785 1.00 0.00 H new ATOM 0 HG2 PRO A 53 31.673 23.331 -9.557 1.00 0.00 H new ATOM 0 HG3 PRO A 53 32.699 22.535 -10.733 1.00 0.00 H new ATOM 0 HD2 PRO A 53 30.872 24.412 -11.473 1.00 0.00 H new ATOM 0 HD3 PRO A 53 31.293 23.079 -12.529 1.00 0.00 H new ATOM 914 N GLN A 54 28.249 21.020 -8.445 1.00 0.00 N ATOM 915 CA GLN A 54 27.533 21.241 -7.194 1.00 0.00 C ATOM 916 C GLN A 54 27.114 19.916 -6.565 1.00 0.00 C ATOM 917 O GLN A 54 27.404 18.845 -7.100 1.00 0.00 O ATOM 918 CB GLN A 54 26.303 22.117 -7.433 1.00 0.00 C ATOM 919 CG GLN A 54 25.313 21.520 -8.421 1.00 0.00 C ATOM 920 CD GLN A 54 24.358 20.540 -7.770 1.00 0.00 C ATOM 921 OE1 GLN A 54 23.706 20.858 -6.775 1.00 0.00 O ATOM 922 NE2 GLN A 54 24.269 19.339 -8.330 1.00 0.00 N ATOM 0 H GLN A 54 28.298 20.044 -8.736 1.00 0.00 H new ATOM 0 HA GLN A 54 28.206 21.752 -6.506 1.00 0.00 H new ATOM 0 HB2 GLN A 54 25.797 22.286 -6.482 1.00 0.00 H new ATOM 0 HB3 GLN A 54 26.627 23.091 -7.800 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.742 22.323 -8.887 1.00 0.00 H new ATOM 0 HG3 GLN A 54 25.860 21.014 -9.217 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.828 19.118 -9.154 1.00 0.00 H new ATOM 0 HE22 GLN A 54 23.642 18.638 -7.936 1.00 0.00 H new ATOM 931 N ILE A 55 26.431 19.996 -5.428 1.00 0.00 N ATOM 932 CA ILE A 55 25.972 18.803 -4.728 1.00 0.00 C ATOM 933 C ILE A 55 24.538 18.455 -5.116 1.00 0.00 C ATOM 934 O ILE A 55 23.602 19.189 -4.798 1.00 0.00 O ATOM 935 CB ILE A 55 26.049 18.982 -3.200 1.00 0.00 C ATOM 936 CG1 ILE A 55 27.484 19.297 -2.773 1.00 0.00 C ATOM 937 CG2 ILE A 55 25.543 17.733 -2.494 1.00 0.00 C ATOM 938 CD1 ILE A 55 27.825 20.770 -2.841 1.00 0.00 C ATOM 0 H ILE A 55 26.183 20.874 -4.972 1.00 0.00 H new ATOM 0 HA ILE A 55 26.634 17.989 -5.024 1.00 0.00 H new ATOM 0 HB ILE A 55 25.413 19.820 -2.915 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.637 18.944 -1.753 1.00 0.00 H new ATOM 0 HG13 ILE A 55 28.174 18.743 -3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.604 17.875 -1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.507 17.549 -2.778 1.00 0.00 H new ATOM 0 HG23 ILE A 55 26.155 16.879 -2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.857 20.919 -2.524 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.704 21.125 -3.865 1.00 0.00 H new ATOM 0 HD13 ILE A 55 27.159 21.328 -2.183 1.00 0.00 H new ATOM 950 N PHE A 56 24.374 17.331 -5.804 1.00 0.00 N ATOM 951 CA PHE A 56 23.054 16.884 -6.235 1.00 0.00 C ATOM 952 C PHE A 56 22.452 15.912 -5.224 1.00 0.00 C ATOM 953 O PHE A 56 23.154 15.074 -4.659 1.00 0.00 O ATOM 954 CB PHE A 56 23.142 16.219 -7.610 1.00 0.00 C ATOM 955 CG PHE A 56 22.064 16.659 -8.559 1.00 0.00 C ATOM 956 CD1 PHE A 56 20.736 16.351 -8.311 1.00 0.00 C ATOM 957 CD2 PHE A 56 22.379 17.381 -9.699 1.00 0.00 C ATOM 958 CE1 PHE A 56 19.742 16.755 -9.182 1.00 0.00 C ATOM 959 CE2 PHE A 56 21.389 17.789 -10.573 1.00 0.00 C ATOM 960 CZ PHE A 56 20.069 17.474 -10.315 1.00 0.00 C ATOM 0 H PHE A 56 25.138 16.712 -6.075 1.00 0.00 H new ATOM 0 HA PHE A 56 22.406 17.758 -6.303 1.00 0.00 H new ATOM 0 HB2 PHE A 56 24.115 16.440 -8.050 1.00 0.00 H new ATOM 0 HB3 PHE A 56 23.086 15.138 -7.486 1.00 0.00 H new ATOM 0 HD1 PHE A 56 20.475 15.789 -7.427 1.00 0.00 H new ATOM 0 HD2 PHE A 56 23.410 17.628 -9.907 1.00 0.00 H new ATOM 0 HE1 PHE A 56 18.711 16.509 -8.977 1.00 0.00 H new ATOM 0 HE2 PHE A 56 21.647 18.354 -11.457 1.00 0.00 H new ATOM 0 HZ PHE A 56 19.294 17.789 -10.998 1.00 0.00 H new ATOM 970 N ILE A 57 21.147 16.033 -5.002 1.00 0.00 N ATOM 971 CA ILE A 57 20.450 15.165 -4.061 1.00 0.00 C ATOM 972 C ILE A 57 19.087 14.748 -4.604 1.00 0.00 C ATOM 973 O ILE A 57 18.200 15.580 -4.789 1.00 0.00 O ATOM 974 CB ILE A 57 20.258 15.854 -2.697 1.00 0.00 C ATOM 975 CG1 ILE A 57 19.585 17.216 -2.879 1.00 0.00 C ATOM 976 CG2 ILE A 57 21.595 16.009 -1.989 1.00 0.00 C ATOM 977 CD1 ILE A 57 18.239 17.321 -2.197 1.00 0.00 C ATOM 0 H ILE A 57 20.552 16.723 -5.461 1.00 0.00 H new ATOM 0 HA ILE A 57 21.072 14.280 -3.928 1.00 0.00 H new ATOM 0 HB ILE A 57 19.612 15.230 -2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 57 20.243 17.992 -2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.460 17.411 -3.944 1.00 0.00 H new ATOM 0 HG21 ILE A 57 21.443 16.498 -1.027 1.00 0.00 H new ATOM 0 HG22 ILE A 57 22.039 15.026 -1.831 1.00 0.00 H new ATOM 0 HG23 ILE A 57 22.263 16.615 -2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 57 17.821 18.313 -2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.565 16.568 -2.605 1.00 0.00 H new ATOM 0 HD13 ILE A 57 18.360 17.158 -1.126 1.00 0.00 H new ATOM 989 N GLY A 58 18.928 13.452 -4.856 1.00 0.00 N ATOM 990 CA GLY A 58 17.670 12.946 -5.373 1.00 0.00 C ATOM 991 C GLY A 58 17.291 13.580 -6.697 1.00 0.00 C ATOM 992 O GLY A 58 17.771 13.165 -7.752 1.00 0.00 O ATOM 0 H GLY A 58 19.648 12.744 -4.711 1.00 0.00 H new ATOM 0 HA2 GLY A 58 17.740 11.865 -5.498 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.880 13.132 -4.645 1.00 0.00 H new ATOM 996 N ASP A 59 16.426 14.587 -6.642 1.00 0.00 N ATOM 997 CA ASP A 59 15.982 15.279 -7.847 1.00 0.00 C ATOM 998 C ASP A 59 16.140 16.789 -7.695 1.00 0.00 C ATOM 999 O ASP A 59 15.382 17.564 -8.279 1.00 0.00 O ATOM 1000 CB ASP A 59 14.523 14.935 -8.150 1.00 0.00 C ATOM 1001 CG ASP A 59 14.303 13.444 -8.320 1.00 0.00 C ATOM 1002 OD1 ASP A 59 14.682 12.906 -9.382 1.00 0.00 O ATOM 1003 OD2 ASP A 59 13.753 12.816 -7.392 1.00 0.00 O ATOM 0 H ASP A 59 16.019 14.942 -5.777 1.00 0.00 H new ATOM 0 HA ASP A 59 16.605 14.948 -8.677 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.891 15.303 -7.342 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.212 15.451 -9.058 1.00 0.00 H new ATOM 1008 N TYR A 60 17.128 17.199 -6.908 1.00 0.00 N ATOM 1009 CA TYR A 60 17.383 18.616 -6.677 1.00 0.00 C ATOM 1010 C TYR A 60 18.881 18.892 -6.591 1.00 0.00 C ATOM 1011 O TYR A 60 19.653 18.056 -6.121 1.00 0.00 O ATOM 1012 CB TYR A 60 16.694 19.077 -5.391 1.00 0.00 C ATOM 1013 CG TYR A 60 17.147 20.439 -4.916 1.00 0.00 C ATOM 1014 CD1 TYR A 60 16.750 21.595 -5.576 1.00 0.00 C ATOM 1015 CD2 TYR A 60 17.973 20.569 -3.806 1.00 0.00 C ATOM 1016 CE1 TYR A 60 17.163 22.841 -5.145 1.00 0.00 C ATOM 1017 CE2 TYR A 60 18.390 21.811 -3.367 1.00 0.00 C ATOM 1018 CZ TYR A 60 17.982 22.944 -4.040 1.00 0.00 C ATOM 1019 OH TYR A 60 18.394 24.183 -3.608 1.00 0.00 O ATOM 0 H TYR A 60 17.766 16.570 -6.419 1.00 0.00 H new ATOM 0 HA TYR A 60 16.976 19.175 -7.520 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.616 19.098 -5.554 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.883 18.346 -4.605 1.00 0.00 H new ATOM 0 HD1 TYR A 60 16.108 21.518 -6.441 1.00 0.00 H new ATOM 0 HD2 TYR A 60 18.295 19.684 -3.277 1.00 0.00 H new ATOM 0 HE1 TYR A 60 16.846 23.730 -5.671 1.00 0.00 H new ATOM 0 HE2 TYR A 60 19.032 21.894 -2.502 1.00 0.00 H new ATOM 0 HH TYR A 60 18.965 24.081 -2.818 1.00 0.00 H new ATOM 1029 N HIS A 61 19.285 20.074 -7.048 1.00 0.00 N ATOM 1030 CA HIS A 61 20.691 20.463 -7.022 1.00 0.00 C ATOM 1031 C HIS A 61 20.943 21.519 -5.950 1.00 0.00 C ATOM 1032 O HIS A 61 20.572 22.682 -6.111 1.00 0.00 O ATOM 1033 CB HIS A 61 21.119 20.995 -8.390 1.00 0.00 C ATOM 1034 CG HIS A 61 20.195 22.035 -8.945 1.00 0.00 C ATOM 1035 ND1 HIS A 61 19.014 21.726 -9.587 1.00 0.00 N ATOM 1036 CD2 HIS A 61 20.281 23.385 -8.949 1.00 0.00 C ATOM 1037 CE1 HIS A 61 18.416 22.842 -9.964 1.00 0.00 C ATOM 1038 NE2 HIS A 61 19.164 23.863 -9.588 1.00 0.00 N ATOM 0 H HIS A 61 18.659 20.778 -7.440 1.00 0.00 H new ATOM 0 HA HIS A 61 21.283 19.580 -6.782 1.00 0.00 H new ATOM 0 HB2 HIS A 61 22.121 21.417 -8.309 1.00 0.00 H new ATOM 0 HB3 HIS A 61 21.179 20.163 -9.091 1.00 0.00 H new ATOM 0 HD2 HIS A 61 21.080 23.977 -8.528 1.00 0.00 H new ATOM 0 HE1 HIS A 61 17.475 22.908 -10.490 1.00 0.00 H new ATOM 0 HE2 HIS A 61 18.947 24.847 -9.747 1.00 0.00 H new ATOM 1046 N VAL A 62 21.575 21.106 -4.856 1.00 0.00 N ATOM 1047 CA VAL A 62 21.876 22.017 -3.758 1.00 0.00 C ATOM 1048 C VAL A 62 22.635 23.243 -4.253 1.00 0.00 C ATOM 1049 O VAL A 62 22.073 24.332 -4.360 1.00 0.00 O ATOM 1050 CB VAL A 62 22.707 21.320 -2.664 1.00 0.00 C ATOM 1051 CG1 VAL A 62 23.076 22.306 -1.565 1.00 0.00 C ATOM 1052 CG2 VAL A 62 21.946 20.134 -2.092 1.00 0.00 C ATOM 0 H VAL A 62 21.888 20.147 -4.706 1.00 0.00 H new ATOM 0 HA VAL A 62 20.921 22.331 -3.336 1.00 0.00 H new ATOM 0 HB VAL A 62 23.629 20.950 -3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 62 23.663 21.796 -0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 62 23.662 23.121 -1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 62 22.167 22.708 -1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 62 22.548 19.653 -1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 62 21.008 20.479 -1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 62 21.736 19.418 -2.887 1.00 0.00 H new ATOM 1062 N GLY A 63 23.916 23.058 -4.555 1.00 0.00 N ATOM 1063 CA GLY A 63 24.732 24.157 -5.036 1.00 0.00 C ATOM 1064 C GLY A 63 26.054 24.263 -4.302 1.00 0.00 C ATOM 1065 O GLY A 63 27.118 24.246 -4.920 1.00 0.00 O ATOM 0 H GLY A 63 24.404 22.166 -4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 63 24.921 24.026 -6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 63 24.181 25.091 -4.923 1.00 0.00 H new ATOM 1069 N GLY A 64 25.987 24.374 -2.979 1.00 0.00 N ATOM 1070 CA GLY A 64 27.195 24.483 -2.182 1.00 0.00 C ATOM 1071 C GLY A 64 27.295 23.398 -1.128 1.00 0.00 C ATOM 1072 O GLY A 64 26.279 22.926 -0.616 1.00 0.00 O ATOM 0 H GLY A 64 25.118 24.390 -2.445 1.00 0.00 H new ATOM 0 HA2 GLY A 64 28.065 24.430 -2.837 1.00 0.00 H new ATOM 0 HA3 GLY A 64 27.220 25.459 -1.698 1.00 0.00 H new ATOM 1076 N CYS A 65 28.520 23.001 -0.804 1.00 0.00 N ATOM 1077 CA CYS A 65 28.748 21.963 0.194 1.00 0.00 C ATOM 1078 C CYS A 65 28.117 22.344 1.529 1.00 0.00 C ATOM 1079 O CYS A 65 27.155 21.717 1.974 1.00 0.00 O ATOM 1080 CB CYS A 65 30.247 21.721 0.376 1.00 0.00 C ATOM 1081 SG CYS A 65 30.793 20.067 -0.109 1.00 0.00 S ATOM 0 H CYS A 65 29.371 23.382 -1.218 1.00 0.00 H new ATOM 0 HA CYS A 65 28.279 21.045 -0.160 1.00 0.00 H new ATOM 0 HB2 CYS A 65 30.797 22.459 -0.208 1.00 0.00 H new ATOM 0 HB3 CYS A 65 30.506 21.885 1.422 1.00 0.00 H new ATOM 0 HG CYS A 65 31.919 20.153 -0.753 1.00 0.00 H new ATOM 1087 N ASP A 66 28.665 23.374 2.164 1.00 0.00 N ATOM 1088 CA ASP A 66 28.157 23.838 3.450 1.00 0.00 C ATOM 1089 C ASP A 66 26.663 24.138 3.367 1.00 0.00 C ATOM 1090 O ASP A 66 25.950 24.072 4.368 1.00 0.00 O ATOM 1091 CB ASP A 66 28.916 25.087 3.901 1.00 0.00 C ATOM 1092 CG ASP A 66 28.732 26.252 2.949 1.00 0.00 C ATOM 1093 OD1 ASP A 66 27.688 26.931 3.038 1.00 0.00 O ATOM 1094 OD2 ASP A 66 29.632 26.485 2.115 1.00 0.00 O ATOM 0 H ASP A 66 29.461 23.904 1.809 1.00 0.00 H new ATOM 0 HA ASP A 66 28.310 23.045 4.182 1.00 0.00 H new ATOM 0 HB2 ASP A 66 28.575 25.377 4.895 1.00 0.00 H new ATOM 0 HB3 ASP A 66 29.977 24.853 3.984 1.00 0.00 H new ATOM 1099 N ASP A 67 26.197 24.469 2.167 1.00 0.00 N ATOM 1100 CA ASP A 67 24.788 24.779 1.953 1.00 0.00 C ATOM 1101 C ASP A 67 23.898 23.663 2.492 1.00 0.00 C ATOM 1102 O ASP A 67 22.867 23.922 3.114 1.00 0.00 O ATOM 1103 CB ASP A 67 24.512 24.995 0.465 1.00 0.00 C ATOM 1104 CG ASP A 67 23.285 25.851 0.222 1.00 0.00 C ATOM 1105 OD1 ASP A 67 22.877 26.580 1.150 1.00 0.00 O ATOM 1106 OD2 ASP A 67 22.733 25.792 -0.897 1.00 0.00 O ATOM 0 H ASP A 67 26.774 24.529 1.328 1.00 0.00 H new ATOM 0 HA ASP A 67 24.557 25.697 2.494 1.00 0.00 H new ATOM 0 HB2 ASP A 67 25.379 25.468 0.003 1.00 0.00 H new ATOM 0 HB3 ASP A 67 24.379 24.028 -0.021 1.00 0.00 H new ATOM 1111 N LEU A 68 24.303 22.421 2.249 1.00 0.00 N ATOM 1112 CA LEU A 68 23.542 21.265 2.708 1.00 0.00 C ATOM 1113 C LEU A 68 23.526 21.193 4.232 1.00 0.00 C ATOM 1114 O LEU A 68 22.522 20.814 4.835 1.00 0.00 O ATOM 1115 CB LEU A 68 24.134 19.978 2.132 1.00 0.00 C ATOM 1116 CG LEU A 68 25.386 19.443 2.830 1.00 0.00 C ATOM 1117 CD1 LEU A 68 25.005 18.498 3.959 1.00 0.00 C ATOM 1118 CD2 LEU A 68 26.296 18.745 1.831 1.00 0.00 C ATOM 0 H LEU A 68 25.154 22.189 1.737 1.00 0.00 H new ATOM 0 HA LEU A 68 22.516 21.375 2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.367 19.204 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.373 20.150 1.082 1.00 0.00 H new ATOM 0 HG LEU A 68 25.929 20.286 3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 68 25.908 18.127 4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 68 24.394 19.030 4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.439 17.658 3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 68 27.181 18.371 2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 68 25.763 17.912 1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.597 19.452 1.058 1.00 0.00 H new ATOM 1130 N TYR A 69 24.644 21.563 4.847 1.00 0.00 N ATOM 1131 CA TYR A 69 24.759 21.540 6.301 1.00 0.00 C ATOM 1132 C TYR A 69 23.888 22.621 6.933 1.00 0.00 C ATOM 1133 O TYR A 69 23.076 22.343 7.815 1.00 0.00 O ATOM 1134 CB TYR A 69 26.217 21.735 6.721 1.00 0.00 C ATOM 1135 CG TYR A 69 26.794 20.555 7.470 1.00 0.00 C ATOM 1136 CD1 TYR A 69 27.046 19.351 6.822 1.00 0.00 C ATOM 1137 CD2 TYR A 69 27.088 20.644 8.825 1.00 0.00 C ATOM 1138 CE1 TYR A 69 27.572 18.271 7.503 1.00 0.00 C ATOM 1139 CE2 TYR A 69 27.615 19.568 9.513 1.00 0.00 C ATOM 1140 CZ TYR A 69 27.855 18.384 8.848 1.00 0.00 C ATOM 1141 OH TYR A 69 28.381 17.310 9.530 1.00 0.00 O ATOM 0 H TYR A 69 25.483 21.882 4.362 1.00 0.00 H new ATOM 0 HA TYR A 69 24.413 20.568 6.652 1.00 0.00 H new ATOM 0 HB2 TYR A 69 26.821 21.921 5.833 1.00 0.00 H new ATOM 0 HB3 TYR A 69 26.290 22.624 7.348 1.00 0.00 H new ATOM 0 HD1 TYR A 69 26.827 19.259 5.769 1.00 0.00 H new ATOM 0 HD2 TYR A 69 26.901 21.570 9.349 1.00 0.00 H new ATOM 0 HE1 TYR A 69 27.761 17.342 6.985 1.00 0.00 H new ATOM 0 HE2 TYR A 69 27.838 19.654 10.566 1.00 0.00 H new ATOM 0 HH TYR A 69 28.523 17.556 10.468 1.00 0.00 H new ATOM 1151 N ALA A 70 24.062 23.856 6.474 1.00 0.00 N ATOM 1152 CA ALA A 70 23.290 24.979 6.991 1.00 0.00 C ATOM 1153 C ALA A 70 21.793 24.735 6.836 1.00 0.00 C ATOM 1154 O ALA A 70 21.032 24.846 7.799 1.00 0.00 O ATOM 1155 CB ALA A 70 23.693 26.266 6.285 1.00 0.00 C ATOM 0 H ALA A 70 24.731 24.104 5.745 1.00 0.00 H new ATOM 0 HA ALA A 70 23.507 25.077 8.055 1.00 0.00 H new ATOM 0 HB1 ALA A 70 23.109 27.097 6.681 1.00 0.00 H new ATOM 0 HB2 ALA A 70 24.753 26.456 6.452 1.00 0.00 H new ATOM 0 HB3 ALA A 70 23.506 26.168 5.216 1.00 0.00 H new ATOM 1161 N LEU A 71 21.376 24.402 5.620 1.00 0.00 N ATOM 1162 CA LEU A 71 19.968 24.143 5.338 1.00 0.00 C ATOM 1163 C LEU A 71 19.444 22.994 6.194 1.00 0.00 C ATOM 1164 O LEU A 71 18.372 23.090 6.790 1.00 0.00 O ATOM 1165 CB LEU A 71 19.775 23.819 3.856 1.00 0.00 C ATOM 1166 CG LEU A 71 19.948 24.988 2.885 1.00 0.00 C ATOM 1167 CD1 LEU A 71 19.953 24.492 1.448 1.00 0.00 C ATOM 1168 CD2 LEU A 71 18.848 26.019 3.092 1.00 0.00 C ATOM 0 H LEU A 71 21.992 24.305 4.813 1.00 0.00 H new ATOM 0 HA LEU A 71 19.403 25.042 5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 71 20.482 23.036 3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.775 23.407 3.722 1.00 0.00 H new ATOM 0 HG LEU A 71 20.908 25.464 3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.077 25.338 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 71 20.776 23.791 1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.009 23.991 1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 71 18.986 26.844 2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 71 17.877 25.555 2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 71 18.892 26.398 4.113 1.00 0.00 H new ATOM 1180 N GLU A 72 20.210 21.908 6.251 1.00 0.00 N ATOM 1181 CA GLU A 72 19.823 20.742 7.035 1.00 0.00 C ATOM 1182 C GLU A 72 19.563 21.126 8.489 1.00 0.00 C ATOM 1183 O GLU A 72 18.598 20.668 9.100 1.00 0.00 O ATOM 1184 CB GLU A 72 20.913 19.669 6.967 1.00 0.00 C ATOM 1185 CG GLU A 72 20.622 18.450 7.826 1.00 0.00 C ATOM 1186 CD GLU A 72 21.022 18.649 9.275 1.00 0.00 C ATOM 1187 OE1 GLU A 72 22.238 18.705 9.553 1.00 0.00 O ATOM 1188 OE2 GLU A 72 20.118 18.748 10.131 1.00 0.00 O ATOM 0 H GLU A 72 21.101 21.812 5.764 1.00 0.00 H new ATOM 0 HA GLU A 72 18.902 20.341 6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 72 21.035 19.352 5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.861 20.106 7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 72 19.558 18.220 7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 72 21.154 17.589 7.421 1.00 0.00 H new ATOM 1195 N ASN A 73 20.432 21.969 9.037 1.00 0.00 N ATOM 1196 CA ASN A 73 20.297 22.414 10.419 1.00 0.00 C ATOM 1197 C ASN A 73 19.274 23.540 10.531 1.00 0.00 C ATOM 1198 O ASN A 73 18.789 23.847 11.620 1.00 0.00 O ATOM 1199 CB ASN A 73 21.650 22.884 10.959 1.00 0.00 C ATOM 1200 CG ASN A 73 21.703 22.869 12.475 1.00 0.00 C ATOM 1201 OD1 ASN A 73 21.869 21.816 13.091 1.00 0.00 O ATOM 1202 ND2 ASN A 73 21.563 24.041 13.083 1.00 0.00 N ATOM 0 H ASN A 73 21.237 22.358 8.545 1.00 0.00 H new ATOM 0 HA ASN A 73 19.948 21.570 11.014 1.00 0.00 H new ATOM 0 HB2 ASN A 73 22.438 22.243 10.564 1.00 0.00 H new ATOM 0 HB3 ASN A 73 21.850 23.894 10.601 1.00 0.00 H new ATOM 0 HD21 ASN A 73 21.591 24.094 14.101 1.00 0.00 H new ATOM 0 HD22 ASN A 73 21.428 24.888 12.532 1.00 0.00 H new ATOM 1209 N LYS A 74 18.949 24.152 9.397 1.00 0.00 N ATOM 1210 CA LYS A 74 17.982 25.242 9.365 1.00 0.00 C ATOM 1211 C LYS A 74 16.555 24.703 9.342 1.00 0.00 C ATOM 1212 O LYS A 74 15.613 25.399 9.718 1.00 0.00 O ATOM 1213 CB LYS A 74 18.223 26.129 8.142 1.00 0.00 C ATOM 1214 CG LYS A 74 18.822 27.483 8.480 1.00 0.00 C ATOM 1215 CD LYS A 74 20.207 27.647 7.878 1.00 0.00 C ATOM 1216 CE LYS A 74 20.570 29.114 7.706 1.00 0.00 C ATOM 1217 NZ LYS A 74 21.234 29.667 8.919 1.00 0.00 N ATOM 0 H LYS A 74 19.342 23.911 8.487 1.00 0.00 H new ATOM 0 HA LYS A 74 18.112 25.837 10.269 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.888 25.609 7.452 1.00 0.00 H new ATOM 0 HB3 LYS A 74 17.277 26.279 7.621 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.168 28.273 8.111 1.00 0.00 H new ATOM 0 HG3 LYS A 74 18.879 27.596 9.563 1.00 0.00 H new ATOM 0 HD2 LYS A 74 20.943 27.162 8.519 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.246 27.146 6.911 1.00 0.00 H new ATOM 0 HE2 LYS A 74 21.231 29.226 6.847 1.00 0.00 H new ATOM 0 HE3 LYS A 74 19.669 29.688 7.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 21.465 30.669 8.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 20.593 29.583 9.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.107 29.136 9.109 1.00 0.00 H new ATOM 1231 N GLY A 75 16.404 23.459 8.900 1.00 0.00 N ATOM 1232 CA GLY A 75 15.089 22.848 8.838 1.00 0.00 C ATOM 1233 C GLY A 75 14.880 22.049 7.567 1.00 0.00 C ATOM 1234 O GLY A 75 13.857 21.384 7.404 1.00 0.00 O ATOM 0 H GLY A 75 17.169 22.863 8.584 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.954 22.195 9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.327 23.625 8.904 1.00 0.00 H new ATOM 1238 N LYS A 76 15.850 22.116 6.662 1.00 0.00 N ATOM 1239 CA LYS A 76 15.769 21.394 5.398 1.00 0.00 C ATOM 1240 C LYS A 76 16.204 19.943 5.570 1.00 0.00 C ATOM 1241 O LYS A 76 16.264 19.183 4.603 1.00 0.00 O ATOM 1242 CB LYS A 76 16.639 22.077 4.340 1.00 0.00 C ATOM 1243 CG LYS A 76 15.873 22.488 3.095 1.00 0.00 C ATOM 1244 CD LYS A 76 14.960 23.672 3.367 1.00 0.00 C ATOM 1245 CE LYS A 76 14.599 24.404 2.084 1.00 0.00 C ATOM 1246 NZ LYS A 76 15.660 25.365 1.676 1.00 0.00 N ATOM 0 H LYS A 76 16.702 22.664 6.780 1.00 0.00 H new ATOM 0 HA LYS A 76 14.730 21.406 5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.103 22.960 4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.445 21.402 4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.576 22.744 2.302 1.00 0.00 H new ATOM 0 HG3 LYS A 76 15.281 21.646 2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.050 23.326 3.858 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.451 24.361 4.054 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.439 23.680 1.285 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.659 24.938 2.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.354 25.880 0.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.831 26.041 2.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.537 24.846 1.469 1.00 0.00 H new ATOM 1260 N LEU A 77 16.507 19.564 6.807 1.00 0.00 N ATOM 1261 CA LEU A 77 16.936 18.203 7.107 1.00 0.00 C ATOM 1262 C LEU A 77 15.963 17.184 6.522 1.00 0.00 C ATOM 1263 O LEU A 77 16.375 16.175 5.949 1.00 0.00 O ATOM 1264 CB LEU A 77 17.052 18.005 8.619 1.00 0.00 C ATOM 1265 CG LEU A 77 17.075 16.555 9.106 1.00 0.00 C ATOM 1266 CD1 LEU A 77 18.201 16.346 10.107 1.00 0.00 C ATOM 1267 CD2 LEU A 77 15.735 16.179 9.723 1.00 0.00 C ATOM 0 H LEU A 77 16.463 20.181 7.618 1.00 0.00 H new ATOM 0 HA LEU A 77 17.914 18.048 6.651 1.00 0.00 H new ATOM 0 HB2 LEU A 77 17.963 18.497 8.961 1.00 0.00 H new ATOM 0 HB3 LEU A 77 16.216 18.515 9.097 1.00 0.00 H new ATOM 0 HG LEU A 77 17.253 15.906 8.248 1.00 0.00 H new ATOM 0 HD11 LEU A 77 18.202 15.309 10.442 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.156 16.575 9.634 1.00 0.00 H new ATOM 0 HD13 LEU A 77 18.053 17.004 10.963 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.769 15.144 10.064 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.528 16.834 10.570 1.00 0.00 H new ATOM 0 HD23 LEU A 77 14.947 16.290 8.978 1.00 0.00 H new ATOM 1279 N ASP A 78 14.671 17.456 6.669 1.00 0.00 N ATOM 1280 CA ASP A 78 13.639 16.565 6.152 1.00 0.00 C ATOM 1281 C ASP A 78 13.859 16.279 4.670 1.00 0.00 C ATOM 1282 O ASP A 78 13.766 15.134 4.228 1.00 0.00 O ATOM 1283 CB ASP A 78 12.254 17.176 6.367 1.00 0.00 C ATOM 1284 CG ASP A 78 11.653 16.795 7.705 1.00 0.00 C ATOM 1285 OD1 ASP A 78 12.231 17.175 8.745 1.00 0.00 O ATOM 1286 OD2 ASP A 78 10.604 16.117 7.713 1.00 0.00 O ATOM 0 H ASP A 78 14.314 18.286 7.142 1.00 0.00 H new ATOM 0 HA ASP A 78 13.701 15.623 6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.325 18.262 6.300 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.589 16.850 5.567 1.00 0.00 H new ATOM 1291 N SER A 79 14.150 17.328 3.908 1.00 0.00 N ATOM 1292 CA SER A 79 14.379 17.191 2.474 1.00 0.00 C ATOM 1293 C SER A 79 15.673 16.431 2.200 1.00 0.00 C ATOM 1294 O SER A 79 15.692 15.471 1.429 1.00 0.00 O ATOM 1295 CB SER A 79 14.433 18.569 1.811 1.00 0.00 C ATOM 1296 OG SER A 79 14.954 18.482 0.496 1.00 0.00 O ATOM 0 H SER A 79 14.233 18.282 4.259 1.00 0.00 H new ATOM 0 HA SER A 79 13.549 16.624 2.051 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.433 19.001 1.781 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.052 19.239 2.407 1.00 0.00 H new ATOM 0 HG SER A 79 14.977 19.375 0.093 1.00 0.00 H new ATOM 1302 N LEU A 80 16.754 16.867 2.838 1.00 0.00 N ATOM 1303 CA LEU A 80 18.054 16.228 2.665 1.00 0.00 C ATOM 1304 C LEU A 80 17.971 14.735 2.962 1.00 0.00 C ATOM 1305 O LEU A 80 18.384 13.905 2.151 1.00 0.00 O ATOM 1306 CB LEU A 80 19.092 16.885 3.577 1.00 0.00 C ATOM 1307 CG LEU A 80 19.886 18.040 2.967 1.00 0.00 C ATOM 1308 CD1 LEU A 80 20.886 17.521 1.946 1.00 0.00 C ATOM 1309 CD2 LEU A 80 18.947 19.054 2.328 1.00 0.00 C ATOM 0 H LEU A 80 16.756 17.660 3.479 1.00 0.00 H new ATOM 0 HA LEU A 80 18.359 16.356 1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.583 17.251 4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.796 16.119 3.904 1.00 0.00 H new ATOM 0 HG LEU A 80 20.438 18.537 3.765 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.442 18.358 1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.579 16.834 2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.355 16.998 1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.529 19.869 1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.368 18.569 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.270 19.451 3.085 1.00 0.00 H new ATOM 1321 N LEU A 81 17.432 14.398 4.129 1.00 0.00 N ATOM 1322 CA LEU A 81 17.292 13.003 4.533 1.00 0.00 C ATOM 1323 C LEU A 81 16.406 12.239 3.555 1.00 0.00 C ATOM 1324 O LEU A 81 16.769 11.161 3.086 1.00 0.00 O ATOM 1325 CB LEU A 81 16.708 12.917 5.944 1.00 0.00 C ATOM 1326 CG LEU A 81 17.663 12.439 7.038 1.00 0.00 C ATOM 1327 CD1 LEU A 81 18.356 13.622 7.697 1.00 0.00 C ATOM 1328 CD2 LEU A 81 16.915 11.612 8.075 1.00 0.00 C ATOM 0 H LEU A 81 17.085 15.072 4.812 1.00 0.00 H new ATOM 0 HA LEU A 81 18.282 12.547 4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.334 13.903 6.221 1.00 0.00 H new ATOM 0 HB3 LEU A 81 15.850 12.245 5.920 1.00 0.00 H new ATOM 0 HG LEU A 81 18.424 11.808 6.579 1.00 0.00 H new ATOM 0 HD11 LEU A 81 19.032 13.262 8.473 1.00 0.00 H new ATOM 0 HD12 LEU A 81 18.924 14.174 6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 81 17.609 14.279 8.143 1.00 0.00 H new ATOM 0 HD21 LEU A 81 17.610 11.280 8.846 1.00 0.00 H new ATOM 0 HD22 LEU A 81 16.132 12.220 8.529 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.466 10.743 7.593 1.00 0.00 H new ATOM 1340 N GLN A 82 15.243 12.807 3.252 1.00 0.00 N ATOM 1341 CA GLN A 82 14.305 12.179 2.328 1.00 0.00 C ATOM 1342 C GLN A 82 14.930 12.014 0.946 1.00 0.00 C ATOM 1343 O GLN A 82 14.523 11.151 0.169 1.00 0.00 O ATOM 1344 CB GLN A 82 13.024 13.008 2.226 1.00 0.00 C ATOM 1345 CG GLN A 82 12.078 12.536 1.134 1.00 0.00 C ATOM 1346 CD GLN A 82 10.805 13.356 1.069 1.00 0.00 C ATOM 1347 OE1 GLN A 82 9.720 12.865 1.378 1.00 0.00 O ATOM 1348 NE2 GLN A 82 10.932 14.615 0.665 1.00 0.00 N ATOM 0 H GLN A 82 14.928 13.700 3.632 1.00 0.00 H new ATOM 0 HA GLN A 82 14.059 11.190 2.716 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.504 12.977 3.184 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.289 14.049 2.041 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.587 12.586 0.171 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.823 11.490 1.306 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.852 14.981 0.418 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.110 15.216 0.601 1.00 0.00 H new ATOM 1357 N ASP A 83 15.919 12.849 0.647 1.00 0.00 N ATOM 1358 CA ASP A 83 16.601 12.795 -0.641 1.00 0.00 C ATOM 1359 C ASP A 83 17.712 11.750 -0.625 1.00 0.00 C ATOM 1360 O ASP A 83 17.665 10.767 -1.365 1.00 0.00 O ATOM 1361 CB ASP A 83 17.179 14.167 -0.993 1.00 0.00 C ATOM 1362 CG ASP A 83 16.189 15.037 -1.744 1.00 0.00 C ATOM 1363 OD1 ASP A 83 15.903 14.729 -2.920 1.00 0.00 O ATOM 1364 OD2 ASP A 83 15.703 16.025 -1.156 1.00 0.00 O ATOM 0 H ASP A 83 16.266 13.571 1.278 1.00 0.00 H new ATOM 0 HA ASP A 83 15.871 12.511 -1.399 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.484 14.675 -0.078 1.00 0.00 H new ATOM 0 HB3 ASP A 83 18.076 14.036 -1.599 1.00 0.00 H new ATOM 1369 N VAL A 84 18.712 11.970 0.222 1.00 0.00 N ATOM 1370 CA VAL A 84 19.836 11.048 0.334 1.00 0.00 C ATOM 1371 C VAL A 84 19.354 9.622 0.577 1.00 0.00 C ATOM 1372 O VAL A 84 19.980 8.659 0.132 1.00 0.00 O ATOM 1373 CB VAL A 84 20.787 11.458 1.475 1.00 0.00 C ATOM 1374 CG1 VAL A 84 21.323 12.862 1.244 1.00 0.00 C ATOM 1375 CG2 VAL A 84 20.079 11.363 2.818 1.00 0.00 C ATOM 0 H VAL A 84 18.767 12.779 0.841 1.00 0.00 H new ATOM 0 HA VAL A 84 20.376 11.090 -0.612 1.00 0.00 H new ATOM 0 HB VAL A 84 21.632 10.770 1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.993 13.135 2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 84 21.869 12.893 0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 84 20.492 13.567 1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.765 11.656 3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.215 12.027 2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.749 10.337 2.984 1.00 0.00 H new ATOM 1385 N HIS A 85 18.236 9.493 1.285 1.00 0.00 N ATOM 1386 CA HIS A 85 17.669 8.184 1.587 1.00 0.00 C ATOM 1387 C HIS A 85 16.941 7.615 0.372 1.00 0.00 C ATOM 1388 O HIS A 85 15.980 8.206 -0.121 1.00 0.00 O ATOM 1389 CB HIS A 85 16.708 8.282 2.772 1.00 0.00 C ATOM 1390 CG HIS A 85 16.063 6.978 3.130 1.00 0.00 C ATOM 1391 ND1 HIS A 85 14.833 6.589 2.643 1.00 0.00 N ATOM 1392 CD2 HIS A 85 16.486 5.972 3.930 1.00 0.00 C ATOM 1393 CE1 HIS A 85 14.526 5.400 3.130 1.00 0.00 C ATOM 1394 NE2 HIS A 85 15.513 5.003 3.914 1.00 0.00 N ATOM 0 H HIS A 85 17.705 10.279 1.660 1.00 0.00 H new ATOM 0 HA HIS A 85 18.487 7.512 1.847 1.00 0.00 H new ATOM 0 HB2 HIS A 85 17.250 8.660 3.639 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.931 9.011 2.540 1.00 0.00 H new ATOM 0 HD2 HIS A 85 17.416 5.938 4.479 1.00 0.00 H new ATOM 0 HE1 HIS A 85 13.622 4.846 2.923 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.547 4.120 4.424 1.00 0.00 H new