USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 699 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 84 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 97 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 76 THR OG1 : rot -31:sc= -0.474 USER MOD Set 2.2: A 79 ASN : amide:sc= 0.471 K(o=-1.6,f=-10!) USER MOD Set 2.3: A 83 TYR OH : rot 72:sc= -1.6! USER MOD Set 3.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 67 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Set 4.1: A 42 ASN : amide:sc= 1.2 K(o=1.9,f=-4.3!) USER MOD Set 4.2: A 82 ASN : amide:sc= 0.697 K(o=1.9,f=0.53) USER MOD Single : A 7 SER OG : rot 37:sc= 0.00972 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.446 X(o=-0.45,f=-0.014) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -146:sc= -0.0887 (180deg=-1.49) USER MOD Single : A 21 HIS : no HD1:sc= -0.0333 X(o=-0.033,f=0) USER MOD Single : A 22 HIS : no HE2:sc= 0.889 K(o=0.89,f=-2.7!) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.501 F(o=-1.2,f=-0.5) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.014 USER MOD Single : A 50 SER OG : rot 180:sc= 0.00758 USER MOD Single : A 54 THR OG1 : rot 101:sc= 1.71 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.037 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 80 ASN : amide:sc= 0.109 K(o=0.11,f=-3!) USER MOD Single : A 89 ASN : amide:sc= -1.08 K(o=-1.1,f=-5.4!) USER MOD Single : A 93 GLN :FLIP amide:sc= -1.12 F(o=-1.6!,f=-1.1) USER MOD Single : A 95 SER OG : rot 30:sc= 0.025 USER MOD Single : A 99 MET CE :methyl -156:sc= 0 (180deg=-0.672) USER MOD ----------------------------------------------------------------- ATOM 79 N SER A 7 -22.135 0.953 3.354 1.00 1.06 N ATOM 80 CA SER A 7 -21.194 1.769 2.761 1.00 0.91 C ATOM 81 C SER A 7 -20.072 2.053 3.721 1.00 0.81 C ATOM 82 O SER A 7 -20.161 2.909 4.596 1.00 0.91 O ATOM 83 CB SER A 7 -21.910 3.011 2.281 1.00 1.01 C ATOM 84 OG SER A 7 -22.749 2.715 1.161 1.00 1.58 O ATOM 0 HA SER A 7 -20.725 1.290 1.902 1.00 0.91 H new ATOM 0 HB2 SER A 7 -22.510 3.426 3.091 1.00 1.01 H new ATOM 0 HB3 SER A 7 -21.181 3.772 2.003 1.00 1.01 H new ATOM 0 HG SER A 7 -23.159 1.833 1.283 1.00 1.58 H new ATOM 90 N PHE A 8 -19.029 1.295 3.557 1.00 0.75 N ATOM 91 CA PHE A 8 -17.827 1.472 4.295 1.00 0.70 C ATOM 92 C PHE A 8 -16.920 2.281 3.431 1.00 0.53 C ATOM 93 O PHE A 8 -16.723 1.952 2.251 1.00 0.54 O ATOM 94 CB PHE A 8 -17.187 0.118 4.633 1.00 0.85 C ATOM 95 CG PHE A 8 -18.025 -0.749 5.529 1.00 0.77 C ATOM 96 CD1 PHE A 8 -18.760 -1.809 5.019 1.00 0.88 C ATOM 97 CD2 PHE A 8 -18.076 -0.501 6.884 1.00 1.01 C ATOM 98 CE1 PHE A 8 -19.524 -2.600 5.847 1.00 0.85 C ATOM 99 CE2 PHE A 8 -18.837 -1.287 7.717 1.00 1.19 C ATOM 100 CZ PHE A 8 -19.562 -2.337 7.198 1.00 0.96 C ATOM 0 H PHE A 8 -18.995 0.523 2.892 1.00 0.75 H new ATOM 0 HA PHE A 8 -18.021 1.973 5.243 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -16.989 -0.420 3.706 1.00 0.85 H new ATOM 0 HB3 PHE A 8 -16.224 0.293 5.112 1.00 0.85 H new ATOM 0 HD1 PHE A 8 -18.733 -2.016 3.959 1.00 0.88 H new ATOM 0 HD2 PHE A 8 -17.511 0.322 7.297 1.00 1.01 H new ATOM 0 HE1 PHE A 8 -20.091 -3.423 5.439 1.00 0.85 H new ATOM 0 HE2 PHE A 8 -18.866 -1.081 8.777 1.00 1.19 H new ATOM 0 HZ PHE A 8 -20.161 -2.954 7.851 1.00 0.96 H new ATOM 110 N CYS A 9 -16.423 3.336 3.961 1.00 0.49 N ATOM 111 CA CYS A 9 -15.593 4.219 3.217 1.00 0.44 C ATOM 112 C CYS A 9 -14.120 3.835 3.392 1.00 0.37 C ATOM 113 O CYS A 9 -13.843 2.726 3.794 1.00 0.40 O ATOM 114 CB CYS A 9 -15.928 5.648 3.596 1.00 0.62 C ATOM 115 SG CYS A 9 -17.671 6.080 3.201 1.00 1.32 S ATOM 0 H CYS A 9 -16.579 3.617 4.929 1.00 0.49 H new ATOM 0 HA CYS A 9 -15.782 4.133 2.147 1.00 0.44 H new ATOM 0 HB2 CYS A 9 -15.753 5.790 4.662 1.00 0.62 H new ATOM 0 HB3 CYS A 9 -15.258 6.328 3.070 1.00 0.62 H new ATOM 120 N ALA A 10 -13.187 4.727 3.142 1.00 0.35 N ATOM 121 CA ALA A 10 -11.797 4.309 3.085 1.00 0.35 C ATOM 122 C ALA A 10 -11.105 4.473 4.401 1.00 0.29 C ATOM 123 O ALA A 10 -10.817 5.591 4.830 1.00 0.34 O ATOM 124 CB ALA A 10 -11.047 5.100 2.036 1.00 0.45 C ATOM 0 H ALA A 10 -13.354 5.720 2.979 1.00 0.35 H new ATOM 0 HA ALA A 10 -11.799 3.250 2.825 1.00 0.35 H new ATOM 0 HB1 ALA A 10 -10.008 4.773 2.008 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -11.505 4.937 1.061 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -11.087 6.161 2.283 1.00 0.45 H new ATOM 130 N SER A 11 -10.862 3.372 5.043 1.00 0.27 N ATOM 131 CA SER A 11 -10.126 3.360 6.273 1.00 0.27 C ATOM 132 C SER A 11 -8.787 2.650 6.043 1.00 0.23 C ATOM 133 O SER A 11 -8.755 1.516 5.542 1.00 0.25 O ATOM 134 CB SER A 11 -10.956 2.687 7.357 1.00 0.37 C ATOM 135 OG SER A 11 -12.210 3.349 7.505 1.00 1.19 O ATOM 0 H SER A 11 -11.169 2.452 4.729 1.00 0.27 H new ATOM 0 HA SER A 11 -9.916 4.376 6.608 1.00 0.27 H new ATOM 0 HB2 SER A 11 -11.118 1.640 7.102 1.00 0.37 H new ATOM 0 HB3 SER A 11 -10.414 2.705 8.303 1.00 0.37 H new ATOM 0 HG SER A 11 -12.734 2.905 8.204 1.00 1.19 H new ATOM 141 N VAL A 12 -7.691 3.309 6.400 1.00 0.23 N ATOM 142 CA VAL A 12 -6.356 2.803 6.098 1.00 0.22 C ATOM 143 C VAL A 12 -5.574 2.467 7.361 1.00 0.24 C ATOM 144 O VAL A 12 -5.412 3.312 8.254 1.00 0.29 O ATOM 145 CB VAL A 12 -5.534 3.849 5.286 1.00 0.23 C ATOM 146 CG1 VAL A 12 -4.167 3.316 4.941 1.00 0.24 C ATOM 147 CG2 VAL A 12 -6.241 4.228 4.023 1.00 0.27 C ATOM 0 H VAL A 12 -7.700 4.198 6.900 1.00 0.23 H new ATOM 0 HA VAL A 12 -6.499 1.895 5.512 1.00 0.22 H new ATOM 0 HB VAL A 12 -5.428 4.731 5.917 1.00 0.23 H new ATOM 0 HG11 VAL A 12 -3.616 4.067 4.375 1.00 0.24 H new ATOM 0 HG12 VAL A 12 -3.625 3.083 5.858 1.00 0.24 H new ATOM 0 HG13 VAL A 12 -4.270 2.412 4.341 1.00 0.24 H new ATOM 0 HG21 VAL A 12 -5.644 4.959 3.477 1.00 0.27 H new ATOM 0 HG22 VAL A 12 -6.383 3.341 3.405 1.00 0.27 H new ATOM 0 HG23 VAL A 12 -7.212 4.660 4.265 1.00 0.27 H new ATOM 157 N GLN A 13 -5.102 1.239 7.431 1.00 0.24 N ATOM 158 CA GLN A 13 -4.245 0.789 8.496 1.00 0.29 C ATOM 159 C GLN A 13 -2.972 0.219 7.872 1.00 0.26 C ATOM 160 O GLN A 13 -3.034 -0.705 7.043 1.00 0.32 O ATOM 161 CB GLN A 13 -4.930 -0.297 9.346 1.00 0.40 C ATOM 162 CG GLN A 13 -6.272 0.104 9.951 1.00 0.68 C ATOM 163 CD GLN A 13 -6.208 1.304 10.891 1.00 1.43 C ATOM 164 OE1 GLN A 13 -7.161 2.069 10.995 1.00 2.18 O ATOM 165 NE2 GLN A 13 -5.109 1.488 11.580 1.00 2.06 N ATOM 0 H GLN A 13 -5.309 0.520 6.738 1.00 0.24 H new ATOM 0 HA GLN A 13 -4.017 1.630 9.151 1.00 0.29 H new ATOM 0 HB2 GLN A 13 -5.078 -1.181 8.726 1.00 0.40 H new ATOM 0 HB3 GLN A 13 -4.256 -0.583 10.154 1.00 0.40 H new ATOM 0 HG2 GLN A 13 -6.968 0.328 9.143 1.00 0.68 H new ATOM 0 HG3 GLN A 13 -6.680 -0.747 10.496 1.00 0.68 H new ATOM 0 HE21 GLN A 13 -4.329 0.839 11.478 1.00 2.06 H new ATOM 0 HE22 GLN A 13 -5.034 2.280 12.218 1.00 2.06 H new ATOM 174 N LEU A 14 -1.843 0.778 8.222 1.00 0.28 N ATOM 175 CA LEU A 14 -0.571 0.314 7.701 1.00 0.25 C ATOM 176 C LEU A 14 0.190 -0.472 8.728 1.00 0.25 C ATOM 177 O LEU A 14 0.010 -0.284 9.931 1.00 0.33 O ATOM 178 CB LEU A 14 0.264 1.470 7.152 1.00 0.24 C ATOM 179 CG LEU A 14 -0.164 1.982 5.784 1.00 0.24 C ATOM 180 CD1 LEU A 14 0.535 3.271 5.459 1.00 0.23 C ATOM 181 CD2 LEU A 14 0.177 0.950 4.731 1.00 0.25 C ATOM 0 H LEU A 14 -1.772 1.562 8.871 1.00 0.28 H new ATOM 0 HA LEU A 14 -0.786 -0.357 6.870 1.00 0.25 H new ATOM 0 HB2 LEU A 14 0.223 2.297 7.861 1.00 0.24 H new ATOM 0 HB3 LEU A 14 1.305 1.151 7.094 1.00 0.24 H new ATOM 0 HG LEU A 14 -1.239 2.159 5.799 1.00 0.24 H new ATOM 0 HD11 LEU A 14 0.216 3.621 4.477 1.00 0.23 H new ATOM 0 HD12 LEU A 14 0.285 4.020 6.210 1.00 0.23 H new ATOM 0 HD13 LEU A 14 1.613 3.109 5.453 1.00 0.23 H new ATOM 0 HD21 LEU A 14 -0.129 1.315 3.751 1.00 0.25 H new ATOM 0 HD22 LEU A 14 1.252 0.771 4.732 1.00 0.25 H new ATOM 0 HD23 LEU A 14 -0.346 0.019 4.951 1.00 0.25 H new ATOM 193 N HIS A 15 1.067 -1.316 8.255 1.00 0.21 N ATOM 194 CA HIS A 15 1.831 -2.211 9.092 1.00 0.24 C ATOM 195 C HIS A 15 3.276 -2.084 8.688 1.00 0.21 C ATOM 196 O HIS A 15 3.579 -1.860 7.517 1.00 0.22 O ATOM 197 CB HIS A 15 1.385 -3.686 8.877 1.00 0.34 C ATOM 198 CG HIS A 15 -0.014 -4.038 9.330 1.00 0.54 C ATOM 199 ND1 HIS A 15 -0.270 -4.952 10.325 1.00 0.92 N ATOM 200 CD2 HIS A 15 -1.235 -3.627 8.888 1.00 0.62 C ATOM 201 CE1 HIS A 15 -1.569 -5.088 10.481 1.00 1.03 C ATOM 202 NE2 HIS A 15 -2.186 -4.294 9.625 1.00 0.83 N ATOM 0 H HIS A 15 1.277 -1.405 7.261 1.00 0.21 H new ATOM 0 HA HIS A 15 1.678 -1.952 10.140 1.00 0.24 H new ATOM 0 HB2 HIS A 15 1.468 -3.917 7.815 1.00 0.34 H new ATOM 0 HB3 HIS A 15 2.087 -4.335 9.400 1.00 0.34 H new ATOM 0 HD2 HIS A 15 -1.422 -2.909 8.103 1.00 0.62 H new ATOM 0 HE1 HIS A 15 -2.052 -5.742 11.192 1.00 1.03 H new ATOM 0 HE2 HIS A 15 -3.196 -4.192 9.527 1.00 0.83 H new ATOM 211 N THR A 16 4.142 -2.180 9.660 1.00 0.26 N ATOM 212 CA THR A 16 5.556 -2.078 9.476 1.00 0.29 C ATOM 213 C THR A 16 6.062 -3.249 8.629 1.00 0.25 C ATOM 214 O THR A 16 5.625 -4.404 8.817 1.00 0.27 O ATOM 215 CB THR A 16 6.233 -2.110 10.856 1.00 0.38 C ATOM 216 OG1 THR A 16 5.680 -1.073 11.687 1.00 0.49 O ATOM 217 CG2 THR A 16 7.732 -1.910 10.736 1.00 0.47 C ATOM 0 H THR A 16 3.870 -2.336 10.631 1.00 0.26 H new ATOM 0 HA THR A 16 5.793 -1.147 8.962 1.00 0.29 H new ATOM 0 HB THR A 16 6.050 -3.087 11.303 1.00 0.38 H new ATOM 0 HG1 THR A 16 6.110 -1.095 12.567 1.00 0.49 H new ATOM 0 HG21 THR A 16 8.183 -1.937 11.728 1.00 0.47 H new ATOM 0 HG22 THR A 16 8.157 -2.704 10.122 1.00 0.47 H new ATOM 0 HG23 THR A 16 7.934 -0.945 10.272 1.00 0.47 H new ATOM 225 N ALA A 17 6.955 -2.922 7.686 1.00 0.28 N ATOM 226 CA ALA A 17 7.579 -3.880 6.794 1.00 0.30 C ATOM 227 C ALA A 17 8.182 -5.030 7.572 1.00 0.35 C ATOM 228 O ALA A 17 8.801 -4.825 8.623 1.00 0.40 O ATOM 229 CB ALA A 17 8.662 -3.200 5.973 1.00 0.37 C ATOM 0 H ALA A 17 7.263 -1.963 7.527 1.00 0.28 H new ATOM 0 HA ALA A 17 6.810 -4.273 6.129 1.00 0.30 H new ATOM 0 HB1 ALA A 17 9.124 -3.928 5.306 1.00 0.37 H new ATOM 0 HB2 ALA A 17 8.221 -2.397 5.383 1.00 0.37 H new ATOM 0 HB3 ALA A 17 9.419 -2.787 6.640 1.00 0.37 H new ATOM 235 N VAL A 18 8.013 -6.212 7.064 1.00 0.38 N ATOM 236 CA VAL A 18 8.508 -7.395 7.722 1.00 0.48 C ATOM 237 C VAL A 18 9.909 -7.724 7.229 1.00 0.56 C ATOM 238 O VAL A 18 10.244 -7.502 6.051 1.00 0.52 O ATOM 239 CB VAL A 18 7.554 -8.613 7.530 1.00 0.54 C ATOM 240 CG1 VAL A 18 6.210 -8.352 8.196 1.00 0.57 C ATOM 241 CG2 VAL A 18 7.356 -8.942 6.054 1.00 0.52 C ATOM 0 H VAL A 18 7.530 -6.390 6.184 1.00 0.38 H new ATOM 0 HA VAL A 18 8.549 -7.186 8.791 1.00 0.48 H new ATOM 0 HB VAL A 18 8.022 -9.474 8.006 1.00 0.54 H new ATOM 0 HG11 VAL A 18 5.558 -9.214 8.051 1.00 0.57 H new ATOM 0 HG12 VAL A 18 6.359 -8.185 9.263 1.00 0.57 H new ATOM 0 HG13 VAL A 18 5.749 -7.470 7.752 1.00 0.57 H new ATOM 0 HG21 VAL A 18 6.685 -9.796 5.958 1.00 0.52 H new ATOM 0 HG22 VAL A 18 6.923 -8.081 5.544 1.00 0.52 H new ATOM 0 HG23 VAL A 18 8.318 -9.184 5.603 1.00 0.52 H new ATOM 251 N GLU A 19 10.715 -8.204 8.144 1.00 0.72 N ATOM 252 CA GLU A 19 12.104 -8.507 7.917 1.00 0.84 C ATOM 253 C GLU A 19 12.275 -9.745 7.046 1.00 0.84 C ATOM 254 O GLU A 19 12.178 -10.883 7.525 1.00 0.96 O ATOM 255 CB GLU A 19 12.805 -8.729 9.251 1.00 1.06 C ATOM 256 CG GLU A 19 14.268 -9.090 9.127 1.00 1.72 C ATOM 257 CD GLU A 19 14.836 -9.573 10.415 1.00 2.02 C ATOM 258 OE1 GLU A 19 14.532 -10.706 10.828 1.00 2.52 O ATOM 259 OE2 GLU A 19 15.596 -8.812 11.054 1.00 2.38 O ATOM 0 H GLU A 19 10.411 -8.400 9.098 1.00 0.72 H new ATOM 0 HA GLU A 19 12.548 -7.660 7.394 1.00 0.84 H new ATOM 0 HB2 GLU A 19 12.715 -7.824 9.852 1.00 1.06 H new ATOM 0 HB3 GLU A 19 12.290 -9.523 9.792 1.00 1.06 H new ATOM 0 HG2 GLU A 19 14.387 -9.862 8.366 1.00 1.72 H new ATOM 0 HG3 GLU A 19 14.829 -8.219 8.788 1.00 1.72 H new ATOM 266 N MET A 20 12.500 -9.525 5.793 1.00 0.79 N ATOM 267 CA MET A 20 12.802 -10.580 4.860 1.00 0.84 C ATOM 268 C MET A 20 13.855 -10.060 3.918 1.00 0.81 C ATOM 269 O MET A 20 14.429 -8.993 4.174 1.00 0.84 O ATOM 270 CB MET A 20 11.564 -11.044 4.056 1.00 0.88 C ATOM 271 CG MET A 20 10.431 -11.651 4.877 1.00 0.88 C ATOM 272 SD MET A 20 9.093 -12.310 3.848 1.00 0.88 S ATOM 273 CE MET A 20 8.617 -10.855 2.921 1.00 0.58 C ATOM 0 H MET A 20 12.481 -8.595 5.374 1.00 0.79 H new ATOM 0 HA MET A 20 13.149 -11.450 5.417 1.00 0.84 H new ATOM 0 HB2 MET A 20 11.171 -10.190 3.504 1.00 0.88 H new ATOM 0 HB3 MET A 20 11.887 -11.778 3.318 1.00 0.88 H new ATOM 0 HG2 MET A 20 10.829 -12.450 5.502 1.00 0.88 H new ATOM 0 HG3 MET A 20 10.027 -10.892 5.548 1.00 0.88 H new ATOM 0 HE1 MET A 20 7.543 -10.877 2.735 1.00 0.58 H new ATOM 0 HE2 MET A 20 8.868 -9.961 3.492 1.00 0.58 H new ATOM 0 HE3 MET A 20 9.149 -10.839 1.970 1.00 0.58 H new ATOM 283 N HIS A 21 14.138 -10.769 2.858 1.00 0.92 N ATOM 284 CA HIS A 21 15.086 -10.267 1.878 1.00 1.01 C ATOM 285 C HIS A 21 14.395 -9.250 1.002 1.00 0.82 C ATOM 286 O HIS A 21 14.958 -8.203 0.663 1.00 0.95 O ATOM 287 CB HIS A 21 15.712 -11.391 1.044 1.00 1.24 C ATOM 288 CG HIS A 21 16.585 -12.305 1.845 1.00 1.65 C ATOM 289 ND1 HIS A 21 16.938 -13.571 1.442 1.00 2.31 N ATOM 290 CD2 HIS A 21 17.188 -12.118 3.040 1.00 2.19 C ATOM 291 CE1 HIS A 21 17.714 -14.114 2.354 1.00 2.75 C ATOM 292 NE2 HIS A 21 17.877 -13.253 3.329 1.00 2.66 N ATOM 0 H HIS A 21 13.737 -11.683 2.645 1.00 0.92 H new ATOM 0 HA HIS A 21 15.912 -9.791 2.407 1.00 1.01 H new ATOM 0 HB2 HIS A 21 14.918 -11.974 0.578 1.00 1.24 H new ATOM 0 HB3 HIS A 21 16.300 -10.952 0.238 1.00 1.24 H new ATOM 0 HD2 HIS A 21 17.132 -11.230 3.652 1.00 2.19 H new ATOM 0 HE1 HIS A 21 18.145 -15.103 2.308 1.00 2.75 H new ATOM 0 HE2 HIS A 21 18.432 -13.410 4.170 1.00 2.66 H new ATOM 301 N HIS A 22 13.165 -9.549 0.671 1.00 0.67 N ATOM 302 CA HIS A 22 12.331 -8.637 -0.059 1.00 0.59 C ATOM 303 C HIS A 22 11.414 -8.016 0.957 1.00 0.49 C ATOM 304 O HIS A 22 10.775 -8.730 1.727 1.00 0.57 O ATOM 305 CB HIS A 22 11.522 -9.351 -1.160 1.00 0.76 C ATOM 306 CG HIS A 22 12.367 -10.089 -2.165 1.00 1.13 C ATOM 307 ND1 HIS A 22 12.935 -9.497 -3.270 1.00 1.52 N ATOM 308 CD2 HIS A 22 12.749 -11.386 -2.211 1.00 2.11 C ATOM 309 CE1 HIS A 22 13.620 -10.392 -3.941 1.00 2.06 C ATOM 310 NE2 HIS A 22 13.525 -11.542 -3.320 1.00 2.46 N ATOM 0 H HIS A 22 12.715 -10.435 0.902 1.00 0.67 H new ATOM 0 HA HIS A 22 12.935 -7.889 -0.572 1.00 0.59 H new ATOM 0 HB2 HIS A 22 10.835 -10.056 -0.692 1.00 0.76 H new ATOM 0 HB3 HIS A 22 10.914 -8.614 -1.684 1.00 0.76 H new ATOM 0 HD1 HIS A 22 12.838 -8.515 -3.527 1.00 1.52 H new ATOM 0 HD2 HIS A 22 12.487 -12.156 -1.500 1.00 2.11 H new ATOM 0 HE1 HIS A 22 14.170 -10.211 -4.853 1.00 2.06 H new ATOM 319 N TRP A 23 11.368 -6.723 0.994 1.00 0.41 N ATOM 320 CA TRP A 23 10.624 -6.032 2.021 1.00 0.36 C ATOM 321 C TRP A 23 9.160 -5.946 1.663 1.00 0.32 C ATOM 322 O TRP A 23 8.797 -5.510 0.570 1.00 0.44 O ATOM 323 CB TRP A 23 11.218 -4.651 2.259 1.00 0.43 C ATOM 324 CG TRP A 23 12.638 -4.690 2.738 1.00 0.47 C ATOM 325 CD1 TRP A 23 13.753 -4.818 1.967 1.00 0.52 C ATOM 326 CD2 TRP A 23 13.095 -4.594 4.091 1.00 0.56 C ATOM 327 NE1 TRP A 23 14.875 -4.827 2.753 1.00 0.57 N ATOM 328 CE2 TRP A 23 14.500 -4.682 4.062 1.00 0.60 C ATOM 329 CE3 TRP A 23 12.454 -4.444 5.325 1.00 0.70 C ATOM 330 CZ2 TRP A 23 15.272 -4.624 5.215 1.00 0.73 C ATOM 331 CZ3 TRP A 23 13.224 -4.386 6.470 1.00 0.85 C ATOM 332 CH2 TRP A 23 14.618 -4.474 6.408 1.00 0.86 C ATOM 0 H TRP A 23 11.837 -6.113 0.325 1.00 0.41 H new ATOM 0 HA TRP A 23 10.699 -6.601 2.948 1.00 0.36 H new ATOM 0 HB2 TRP A 23 11.170 -4.078 1.333 1.00 0.43 H new ATOM 0 HB3 TRP A 23 10.609 -4.123 2.993 1.00 0.43 H new ATOM 0 HD1 TRP A 23 13.753 -4.901 0.890 1.00 0.52 H new ATOM 0 HE1 TRP A 23 15.833 -4.926 2.418 1.00 0.57 H new ATOM 0 HE3 TRP A 23 11.378 -4.375 5.381 1.00 0.70 H new ATOM 0 HZ2 TRP A 23 16.349 -4.695 5.172 1.00 0.73 H new ATOM 0 HZ3 TRP A 23 12.741 -4.271 7.429 1.00 0.85 H new ATOM 0 HH2 TRP A 23 15.191 -4.422 7.322 1.00 0.86 H new ATOM 343 N CYS A 24 8.335 -6.386 2.568 1.00 0.27 N ATOM 344 CA CYS A 24 6.910 -6.400 2.375 1.00 0.25 C ATOM 345 C CYS A 24 6.253 -5.506 3.406 1.00 0.23 C ATOM 346 O CYS A 24 6.425 -5.718 4.615 1.00 0.25 O ATOM 347 CB CYS A 24 6.385 -7.856 2.487 1.00 0.28 C ATOM 348 SG CYS A 24 4.565 -8.089 2.362 1.00 0.30 S ATOM 0 H CYS A 24 8.634 -6.750 3.473 1.00 0.27 H new ATOM 0 HA CYS A 24 6.665 -6.022 1.383 1.00 0.25 H new ATOM 0 HB2 CYS A 24 6.859 -8.450 1.705 1.00 0.28 H new ATOM 0 HB3 CYS A 24 6.716 -8.265 3.442 1.00 0.28 H new ATOM 353 N ILE A 25 5.578 -4.470 2.930 1.00 0.20 N ATOM 354 CA ILE A 25 4.787 -3.583 3.766 1.00 0.19 C ATOM 355 C ILE A 25 3.310 -3.978 3.596 1.00 0.18 C ATOM 356 O ILE A 25 2.672 -3.609 2.590 1.00 0.18 O ATOM 357 CB ILE A 25 4.955 -2.090 3.343 1.00 0.21 C ATOM 358 CG1 ILE A 25 6.427 -1.664 3.415 1.00 0.25 C ATOM 359 CG2 ILE A 25 4.093 -1.182 4.229 1.00 0.22 C ATOM 360 CD1 ILE A 25 6.692 -0.257 2.920 1.00 0.30 C ATOM 0 H ILE A 25 5.565 -4.220 1.941 1.00 0.20 H new ATOM 0 HA ILE A 25 5.120 -3.679 4.799 1.00 0.19 H new ATOM 0 HB ILE A 25 4.621 -1.990 2.310 1.00 0.21 H new ATOM 0 HG12 ILE A 25 6.766 -1.744 4.448 1.00 0.25 H new ATOM 0 HG13 ILE A 25 7.025 -2.362 2.828 1.00 0.25 H new ATOM 0 HG21 ILE A 25 4.222 -0.144 3.921 1.00 0.22 H new ATOM 0 HG22 ILE A 25 3.045 -1.463 4.127 1.00 0.22 H new ATOM 0 HG23 ILE A 25 4.399 -1.292 5.269 1.00 0.22 H new ATOM 0 HD11 ILE A 25 7.756 -0.036 3.005 1.00 0.30 H new ATOM 0 HD12 ILE A 25 6.387 -0.175 1.877 1.00 0.30 H new ATOM 0 HD13 ILE A 25 6.124 0.453 3.521 1.00 0.30 H new ATOM 372 N PRO A 26 2.764 -4.782 4.516 1.00 0.20 N ATOM 373 CA PRO A 26 1.375 -5.221 4.448 1.00 0.21 C ATOM 374 C PRO A 26 0.415 -4.095 4.825 1.00 0.21 C ATOM 375 O PRO A 26 0.639 -3.362 5.804 1.00 0.23 O ATOM 376 CB PRO A 26 1.298 -6.360 5.485 1.00 0.25 C ATOM 377 CG PRO A 26 2.715 -6.633 5.874 1.00 0.28 C ATOM 378 CD PRO A 26 3.439 -5.340 5.689 1.00 0.24 C ATOM 0 HA PRO A 26 1.090 -5.533 3.443 1.00 0.21 H new ATOM 0 HB2 PRO A 26 0.702 -6.066 6.349 1.00 0.25 H new ATOM 0 HB3 PRO A 26 0.828 -7.247 5.061 1.00 0.25 H new ATOM 0 HG2 PRO A 26 2.779 -6.974 6.907 1.00 0.28 H new ATOM 0 HG3 PRO A 26 3.148 -7.417 5.253 1.00 0.28 H new ATOM 0 HD2 PRO A 26 3.347 -4.692 6.560 1.00 0.24 H new ATOM 0 HD3 PRO A 26 4.504 -5.490 5.515 1.00 0.24 H new ATOM 386 N PHE A 27 -0.636 -3.949 4.071 1.00 0.23 N ATOM 387 CA PHE A 27 -1.598 -2.916 4.345 1.00 0.25 C ATOM 388 C PHE A 27 -2.985 -3.501 4.504 1.00 0.25 C ATOM 389 O PHE A 27 -3.249 -4.652 4.114 1.00 0.30 O ATOM 390 CB PHE A 27 -1.589 -1.815 3.254 1.00 0.27 C ATOM 391 CG PHE A 27 -1.936 -2.282 1.859 1.00 0.28 C ATOM 392 CD1 PHE A 27 -3.263 -2.429 1.467 1.00 0.29 C ATOM 393 CD2 PHE A 27 -0.940 -2.574 0.946 1.00 0.32 C ATOM 394 CE1 PHE A 27 -3.580 -2.860 0.197 1.00 0.34 C ATOM 395 CE2 PHE A 27 -1.254 -3.002 -0.327 1.00 0.36 C ATOM 396 CZ PHE A 27 -2.574 -3.150 -0.702 1.00 0.37 C ATOM 0 H PHE A 27 -0.850 -4.531 3.261 1.00 0.23 H new ATOM 0 HA PHE A 27 -1.310 -2.446 5.285 1.00 0.25 H new ATOM 0 HB2 PHE A 27 -2.293 -1.035 3.543 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -0.599 -1.359 3.230 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -4.054 -2.203 2.166 1.00 0.29 H new ATOM 0 HD2 PHE A 27 0.096 -2.466 1.233 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -4.614 -2.971 -0.094 1.00 0.34 H new ATOM 0 HE2 PHE A 27 -0.466 -3.222 -1.032 1.00 0.36 H new ATOM 0 HZ PHE A 27 -2.819 -3.492 -1.697 1.00 0.37 H new ATOM 406 N SER A 28 -3.844 -2.746 5.111 1.00 0.25 N ATOM 407 CA SER A 28 -5.214 -3.096 5.250 1.00 0.28 C ATOM 408 C SER A 28 -6.061 -1.845 5.064 1.00 0.24 C ATOM 409 O SER A 28 -5.999 -0.912 5.863 1.00 0.27 O ATOM 410 CB SER A 28 -5.458 -3.747 6.610 1.00 0.41 C ATOM 411 OG SER A 28 -4.660 -4.928 6.747 1.00 0.88 O ATOM 0 H SER A 28 -3.603 -1.849 5.532 1.00 0.25 H new ATOM 0 HA SER A 28 -5.495 -3.824 4.489 1.00 0.28 H new ATOM 0 HB2 SER A 28 -5.217 -3.043 7.406 1.00 0.41 H new ATOM 0 HB3 SER A 28 -6.513 -3.999 6.716 1.00 0.41 H new ATOM 0 HG SER A 28 -4.825 -5.335 7.623 1.00 0.88 H new ATOM 417 N VAL A 29 -6.771 -1.804 3.980 1.00 0.23 N ATOM 418 CA VAL A 29 -7.637 -0.702 3.664 1.00 0.21 C ATOM 419 C VAL A 29 -9.037 -1.248 3.459 1.00 0.21 C ATOM 420 O VAL A 29 -9.258 -2.085 2.596 1.00 0.27 O ATOM 421 CB VAL A 29 -7.135 0.103 2.395 1.00 0.22 C ATOM 422 CG1 VAL A 29 -6.908 -0.809 1.211 1.00 0.25 C ATOM 423 CG2 VAL A 29 -8.147 1.162 2.016 1.00 0.26 C ATOM 0 H VAL A 29 -6.768 -2.543 3.277 1.00 0.23 H new ATOM 0 HA VAL A 29 -7.633 0.011 4.489 1.00 0.21 H new ATOM 0 HB VAL A 29 -6.186 0.570 2.659 1.00 0.22 H new ATOM 0 HG11 VAL A 29 -6.564 -0.221 0.360 1.00 0.25 H new ATOM 0 HG12 VAL A 29 -6.155 -1.555 1.465 1.00 0.25 H new ATOM 0 HG13 VAL A 29 -7.841 -1.310 0.953 1.00 0.25 H new ATOM 0 HG21 VAL A 29 -7.792 1.709 1.143 1.00 0.26 H new ATOM 0 HG22 VAL A 29 -9.100 0.688 1.784 1.00 0.26 H new ATOM 0 HG23 VAL A 29 -8.279 1.853 2.848 1.00 0.26 H new ATOM 433 N ASP A 30 -9.961 -0.848 4.264 1.00 0.27 N ATOM 434 CA ASP A 30 -11.289 -1.383 4.107 1.00 0.35 C ATOM 435 C ASP A 30 -12.177 -0.397 3.442 1.00 0.37 C ATOM 436 O ASP A 30 -11.805 0.781 3.279 1.00 0.48 O ATOM 437 CB ASP A 30 -11.917 -1.913 5.412 1.00 0.51 C ATOM 438 CG ASP A 30 -12.460 -0.856 6.345 1.00 0.80 C ATOM 439 OD1 ASP A 30 -11.705 -0.361 7.205 1.00 1.39 O ATOM 440 OD2 ASP A 30 -13.618 -0.430 6.165 1.00 1.30 O ATOM 0 H ASP A 30 -9.839 -0.173 5.019 1.00 0.27 H new ATOM 0 HA ASP A 30 -11.183 -2.258 3.466 1.00 0.35 H new ATOM 0 HB2 ASP A 30 -12.726 -2.597 5.155 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -11.166 -2.495 5.947 1.00 0.51 H new ATOM 445 N GLY A 31 -13.296 -0.888 3.005 1.00 0.37 N ATOM 446 CA GLY A 31 -14.261 -0.096 2.351 1.00 0.42 C ATOM 447 C GLY A 31 -15.014 -0.924 1.362 1.00 0.46 C ATOM 448 O GLY A 31 -14.622 -2.053 1.064 1.00 0.60 O ATOM 0 H GLY A 31 -13.558 -1.869 3.100 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -14.950 0.330 3.081 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -13.776 0.739 1.845 1.00 0.42 H new ATOM 452 N GLN A 32 -16.109 -0.420 0.898 1.00 0.55 N ATOM 453 CA GLN A 32 -16.867 -1.096 -0.128 1.00 0.64 C ATOM 454 C GLN A 32 -16.608 -0.441 -1.475 1.00 0.61 C ATOM 455 O GLN A 32 -16.198 -1.130 -2.410 1.00 0.68 O ATOM 456 CB GLN A 32 -18.345 -1.241 0.243 1.00 0.76 C ATOM 457 CG GLN A 32 -18.546 -2.153 1.445 1.00 0.99 C ATOM 458 CD GLN A 32 -18.237 -3.613 1.152 1.00 1.82 C ATOM 459 OE1 GLN A 32 -16.984 -3.998 1.258 1.00 2.42 O flip ATOM 460 NE2 GLN A 32 -19.119 -4.385 0.794 1.00 2.61 N flip ATOM 0 H GLN A 32 -16.510 0.465 1.210 1.00 0.55 H new ATOM 0 HA GLN A 32 -16.521 -2.126 -0.214 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -18.762 -0.258 0.461 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -18.895 -1.639 -0.610 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -17.910 -1.811 2.262 1.00 0.99 H new ATOM 0 HG3 GLN A 32 -19.577 -2.069 1.787 1.00 0.99 H new ATOM 0 HE21 GLN A 32 -20.083 -4.059 0.720 1.00 2.61 H new ATOM 0 HE22 GLN A 32 -18.889 -5.353 0.570 1.00 2.61 H new ATOM 469 N PRO A 33 -16.819 0.906 -1.637 1.00 0.59 N ATOM 470 CA PRO A 33 -16.306 1.577 -2.809 1.00 0.62 C ATOM 471 C PRO A 33 -14.778 1.529 -2.722 1.00 0.53 C ATOM 472 O PRO A 33 -14.181 2.041 -1.747 1.00 0.44 O ATOM 473 CB PRO A 33 -16.821 3.024 -2.681 1.00 0.67 C ATOM 474 CG PRO A 33 -17.198 3.181 -1.248 1.00 0.78 C ATOM 475 CD PRO A 33 -17.605 1.819 -0.776 1.00 0.63 C ATOM 0 HA PRO A 33 -16.614 1.135 -3.757 1.00 0.62 H new ATOM 0 HB2 PRO A 33 -16.052 3.742 -2.967 1.00 0.67 H new ATOM 0 HB3 PRO A 33 -17.676 3.196 -3.334 1.00 0.67 H new ATOM 0 HG2 PRO A 33 -16.360 3.562 -0.664 1.00 0.78 H new ATOM 0 HG3 PRO A 33 -18.015 3.893 -1.135 1.00 0.78 H new ATOM 0 HD2 PRO A 33 -17.374 1.674 0.279 1.00 0.63 H new ATOM 0 HD3 PRO A 33 -18.677 1.657 -0.892 1.00 0.63 H new ATOM 483 N ALA A 34 -14.167 0.914 -3.703 1.00 0.62 N ATOM 484 CA ALA A 34 -12.747 0.643 -3.689 1.00 0.60 C ATOM 485 C ALA A 34 -11.938 1.916 -3.811 1.00 0.52 C ATOM 486 O ALA A 34 -12.013 2.607 -4.821 1.00 0.63 O ATOM 487 CB ALA A 34 -12.382 -0.336 -4.795 1.00 0.78 C ATOM 0 H ALA A 34 -14.643 0.583 -4.542 1.00 0.62 H new ATOM 0 HA ALA A 34 -12.503 0.190 -2.728 1.00 0.60 H new ATOM 0 HB1 ALA A 34 -11.310 -0.529 -4.771 1.00 0.78 H new ATOM 0 HB2 ALA A 34 -12.923 -1.271 -4.647 1.00 0.78 H new ATOM 0 HB3 ALA A 34 -12.652 0.090 -5.761 1.00 0.78 H new ATOM 493 N PRO A 35 -11.174 2.269 -2.773 1.00 0.39 N ATOM 494 CA PRO A 35 -10.345 3.447 -2.814 1.00 0.35 C ATOM 495 C PRO A 35 -9.042 3.182 -3.553 1.00 0.41 C ATOM 496 O PRO A 35 -8.400 2.144 -3.346 1.00 0.56 O ATOM 497 CB PRO A 35 -10.076 3.727 -1.341 1.00 0.29 C ATOM 498 CG PRO A 35 -10.057 2.379 -0.712 1.00 0.31 C ATOM 499 CD PRO A 35 -11.072 1.562 -1.465 1.00 0.37 C ATOM 0 HA PRO A 35 -10.816 4.278 -3.338 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -9.128 4.246 -1.201 1.00 0.29 H new ATOM 0 HB3 PRO A 35 -10.852 4.358 -0.907 1.00 0.29 H new ATOM 0 HG2 PRO A 35 -9.066 1.930 -0.779 1.00 0.31 H new ATOM 0 HG3 PRO A 35 -10.310 2.438 0.347 1.00 0.31 H new ATOM 0 HD2 PRO A 35 -10.746 0.529 -1.590 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -12.031 1.533 -0.947 1.00 0.37 H new ATOM 507 N SER A 36 -8.682 4.087 -4.414 1.00 0.39 N ATOM 508 CA SER A 36 -7.448 3.998 -5.132 1.00 0.44 C ATOM 509 C SER A 36 -6.321 4.253 -4.140 1.00 0.37 C ATOM 510 O SER A 36 -6.412 5.185 -3.320 1.00 0.41 O ATOM 511 CB SER A 36 -7.433 5.035 -6.269 1.00 0.57 C ATOM 512 OG SER A 36 -6.295 4.890 -7.107 1.00 1.37 O ATOM 0 H SER A 36 -9.240 4.911 -4.638 1.00 0.39 H new ATOM 0 HA SER A 36 -7.325 3.014 -5.584 1.00 0.44 H new ATOM 0 HB2 SER A 36 -8.339 4.931 -6.866 1.00 0.57 H new ATOM 0 HB3 SER A 36 -7.445 6.039 -5.844 1.00 0.57 H new ATOM 0 HG SER A 36 -6.323 5.565 -7.817 1.00 1.37 H new ATOM 518 N LEU A 37 -5.310 3.411 -4.169 1.00 0.33 N ATOM 519 CA LEU A 37 -4.214 3.521 -3.239 1.00 0.30 C ATOM 520 C LEU A 37 -3.035 4.201 -3.892 1.00 0.32 C ATOM 521 O LEU A 37 -2.500 3.720 -4.903 1.00 0.50 O ATOM 522 CB LEU A 37 -3.779 2.157 -2.723 1.00 0.32 C ATOM 523 CG LEU A 37 -4.813 1.311 -1.986 1.00 0.32 C ATOM 524 CD1 LEU A 37 -4.154 0.053 -1.492 1.00 0.43 C ATOM 525 CD2 LEU A 37 -5.402 2.066 -0.818 1.00 0.27 C ATOM 0 H LEU A 37 -5.227 2.640 -4.832 1.00 0.33 H new ATOM 0 HA LEU A 37 -4.564 4.117 -2.396 1.00 0.30 H new ATOM 0 HB2 LEU A 37 -3.417 1.578 -3.572 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -2.931 2.307 -2.054 1.00 0.32 H new ATOM 0 HG LEU A 37 -5.622 1.068 -2.675 1.00 0.32 H new ATOM 0 HD11 LEU A 37 -4.886 -0.558 -0.964 1.00 0.43 H new ATOM 0 HD12 LEU A 37 -3.758 -0.507 -2.339 1.00 0.43 H new ATOM 0 HD13 LEU A 37 -3.340 0.311 -0.815 1.00 0.43 H new ATOM 0 HD21 LEU A 37 -6.136 1.438 -0.312 1.00 0.27 H new ATOM 0 HD22 LEU A 37 -4.609 2.332 -0.120 1.00 0.27 H new ATOM 0 HD23 LEU A 37 -5.888 2.973 -1.179 1.00 0.27 H new ATOM 537 N ARG A 38 -2.640 5.293 -3.328 1.00 0.23 N ATOM 538 CA ARG A 38 -1.533 6.048 -3.814 1.00 0.23 C ATOM 539 C ARG A 38 -0.492 6.189 -2.727 1.00 0.22 C ATOM 540 O ARG A 38 -0.805 6.562 -1.609 1.00 0.26 O ATOM 541 CB ARG A 38 -2.026 7.416 -4.331 1.00 0.28 C ATOM 542 CG ARG A 38 -0.949 8.375 -4.860 1.00 0.33 C ATOM 543 CD ARG A 38 0.028 7.686 -5.806 1.00 1.28 C ATOM 544 NE ARG A 38 -0.630 6.755 -6.718 1.00 1.98 N ATOM 545 CZ ARG A 38 -0.024 5.725 -7.296 1.00 3.10 C ATOM 546 NH1 ARG A 38 1.308 5.644 -7.309 1.00 3.72 N ATOM 547 NH2 ARG A 38 -0.742 4.796 -7.895 1.00 3.78 N ATOM 0 H ARG A 38 -3.085 5.693 -2.502 1.00 0.23 H new ATOM 0 HA ARG A 38 -1.063 5.529 -4.650 1.00 0.23 H new ATOM 0 HB2 ARG A 38 -2.748 7.240 -5.128 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -2.560 7.915 -3.522 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -1.429 9.205 -5.379 1.00 0.33 H new ATOM 0 HG3 ARG A 38 -0.399 8.799 -4.020 1.00 0.33 H new ATOM 0 HD2 ARG A 38 0.559 8.441 -6.385 1.00 1.28 H new ATOM 0 HD3 ARG A 38 0.775 7.149 -5.222 1.00 1.28 H new ATOM 0 HE ARG A 38 -1.618 6.905 -6.924 1.00 1.98 H new ATOM 0 HH11 ARG A 38 1.868 6.377 -6.873 1.00 3.72 H new ATOM 0 HH12 ARG A 38 1.766 4.849 -7.755 1.00 3.72 H new ATOM 0 HH21 ARG A 38 -1.759 4.870 -7.913 1.00 3.78 H new ATOM 0 HH22 ARG A 38 -0.280 4.003 -8.340 1.00 3.78 H new ATOM 561 N TRP A 39 0.724 5.847 -3.050 1.00 0.22 N ATOM 562 CA TRP A 39 1.812 5.943 -2.111 1.00 0.22 C ATOM 563 C TRP A 39 2.529 7.260 -2.262 1.00 0.20 C ATOM 564 O TRP A 39 2.506 7.883 -3.340 1.00 0.26 O ATOM 565 CB TRP A 39 2.792 4.796 -2.281 1.00 0.25 C ATOM 566 CG TRP A 39 2.195 3.462 -2.013 1.00 0.25 C ATOM 567 CD1 TRP A 39 1.653 2.620 -2.928 1.00 0.29 C ATOM 568 CD2 TRP A 39 2.070 2.816 -0.741 1.00 0.24 C ATOM 569 NE1 TRP A 39 1.204 1.488 -2.315 1.00 0.29 N ATOM 570 CE2 TRP A 39 1.448 1.576 -0.972 1.00 0.26 C ATOM 571 CE3 TRP A 39 2.432 3.161 0.566 1.00 0.25 C ATOM 572 CZ2 TRP A 39 1.172 0.678 0.054 1.00 0.26 C ATOM 573 CZ3 TRP A 39 2.160 2.267 1.584 1.00 0.26 C ATOM 574 CH2 TRP A 39 1.538 1.040 1.324 1.00 0.26 C ATOM 0 H TRP A 39 0.991 5.494 -3.969 1.00 0.22 H new ATOM 0 HA TRP A 39 1.388 5.883 -1.109 1.00 0.22 H new ATOM 0 HB2 TRP A 39 3.185 4.812 -3.298 1.00 0.25 H new ATOM 0 HB3 TRP A 39 3.637 4.948 -1.610 1.00 0.25 H new ATOM 0 HD1 TRP A 39 1.587 2.818 -3.988 1.00 0.29 H new ATOM 0 HE1 TRP A 39 0.757 0.700 -2.784 1.00 0.29 H new ATOM 0 HE3 TRP A 39 2.913 4.105 0.774 1.00 0.25 H new ATOM 0 HZ2 TRP A 39 0.688 -0.267 -0.143 1.00 0.26 H new ATOM 0 HZ3 TRP A 39 2.432 2.519 2.598 1.00 0.26 H new ATOM 0 HH2 TRP A 39 1.342 0.364 2.143 1.00 0.26 H new ATOM 585 N LEU A 40 3.159 7.670 -1.211 1.00 0.25 N ATOM 586 CA LEU A 40 3.845 8.918 -1.162 1.00 0.24 C ATOM 587 C LEU A 40 5.166 8.677 -0.447 1.00 0.27 C ATOM 588 O LEU A 40 5.207 7.900 0.495 1.00 0.34 O ATOM 589 CB LEU A 40 2.994 9.871 -0.341 1.00 0.31 C ATOM 590 CG LEU A 40 3.174 11.354 -0.560 1.00 0.49 C ATOM 591 CD1 LEU A 40 2.632 11.742 -1.919 1.00 0.66 C ATOM 592 CD2 LEU A 40 2.469 12.123 0.533 1.00 0.95 C ATOM 0 H LEU A 40 3.212 7.135 -0.344 1.00 0.25 H new ATOM 0 HA LEU A 40 4.021 9.332 -2.155 1.00 0.24 H new ATOM 0 HB2 LEU A 40 1.948 9.631 -0.530 1.00 0.31 H new ATOM 0 HB3 LEU A 40 3.183 9.664 0.712 1.00 0.31 H new ATOM 0 HG LEU A 40 4.236 11.598 -0.527 1.00 0.49 H new ATOM 0 HD11 LEU A 40 2.765 12.813 -2.071 1.00 0.66 H new ATOM 0 HD12 LEU A 40 3.169 11.196 -2.694 1.00 0.66 H new ATOM 0 HD13 LEU A 40 1.571 11.497 -1.971 1.00 0.66 H new ATOM 0 HD21 LEU A 40 2.602 13.192 0.370 1.00 0.95 H new ATOM 0 HD22 LEU A 40 1.406 11.884 0.519 1.00 0.95 H new ATOM 0 HD23 LEU A 40 2.890 11.849 1.500 1.00 0.95 H new ATOM 604 N PHE A 41 6.211 9.305 -0.905 1.00 0.28 N ATOM 605 CA PHE A 41 7.530 9.184 -0.323 1.00 0.35 C ATOM 606 C PHE A 41 7.995 10.545 0.161 1.00 0.38 C ATOM 607 O PHE A 41 8.373 11.398 -0.641 1.00 0.41 O ATOM 608 CB PHE A 41 8.521 8.602 -1.350 1.00 0.45 C ATOM 609 CG PHE A 41 9.964 8.610 -0.898 1.00 0.58 C ATOM 610 CD1 PHE A 41 10.890 9.429 -1.525 1.00 0.75 C ATOM 611 CD2 PHE A 41 10.383 7.819 0.155 1.00 0.60 C ATOM 612 CE1 PHE A 41 12.207 9.457 -1.112 1.00 0.88 C ATOM 613 CE2 PHE A 41 11.698 7.841 0.570 1.00 0.74 C ATOM 614 CZ PHE A 41 12.612 8.660 -0.064 1.00 0.86 C ATOM 0 H PHE A 41 6.176 9.930 -1.710 1.00 0.28 H new ATOM 0 HA PHE A 41 7.487 8.501 0.526 1.00 0.35 H new ATOM 0 HB2 PHE A 41 8.230 7.577 -1.577 1.00 0.45 H new ATOM 0 HB3 PHE A 41 8.440 9.169 -2.277 1.00 0.45 H new ATOM 0 HD1 PHE A 41 10.577 10.054 -2.348 1.00 0.75 H new ATOM 0 HD2 PHE A 41 9.674 7.178 0.658 1.00 0.60 H new ATOM 0 HE1 PHE A 41 12.917 10.101 -1.609 1.00 0.88 H new ATOM 0 HE2 PHE A 41 12.014 7.216 1.393 1.00 0.74 H new ATOM 0 HZ PHE A 41 13.642 8.675 0.261 1.00 0.86 H new ATOM 624 N ASN A 42 7.905 10.755 1.463 1.00 0.46 N ATOM 625 CA ASN A 42 8.316 12.016 2.130 1.00 0.57 C ATOM 626 C ASN A 42 7.559 13.216 1.553 1.00 0.53 C ATOM 627 O ASN A 42 8.079 14.334 1.488 1.00 0.69 O ATOM 628 CB ASN A 42 9.840 12.281 2.024 1.00 0.73 C ATOM 629 CG ASN A 42 10.723 11.237 2.681 1.00 1.12 C ATOM 630 OD1 ASN A 42 10.338 10.566 3.652 1.00 1.79 O ATOM 631 ND2 ASN A 42 11.925 11.116 2.184 1.00 1.72 N ATOM 0 H ASN A 42 7.542 10.056 2.111 1.00 0.46 H new ATOM 0 HA ASN A 42 8.066 11.892 3.184 1.00 0.57 H new ATOM 0 HB2 ASN A 42 10.108 12.350 0.970 1.00 0.73 H new ATOM 0 HB3 ASN A 42 10.056 13.251 2.472 1.00 0.73 H new ATOM 0 HD21 ASN A 42 12.582 10.453 2.595 1.00 1.72 H new ATOM 0 HD22 ASN A 42 12.206 11.684 1.385 1.00 1.72 H new ATOM 638 N GLY A 43 6.346 12.981 1.125 1.00 0.45 N ATOM 639 CA GLY A 43 5.559 14.030 0.538 1.00 0.51 C ATOM 640 C GLY A 43 5.565 13.989 -0.982 1.00 0.47 C ATOM 641 O GLY A 43 4.678 14.546 -1.615 1.00 0.61 O ATOM 0 H GLY A 43 5.883 12.073 1.172 1.00 0.45 H new ATOM 0 HA2 GLY A 43 4.532 13.951 0.895 1.00 0.51 H new ATOM 0 HA3 GLY A 43 5.940 14.995 0.873 1.00 0.51 H new ATOM 645 N SER A 44 6.527 13.316 -1.554 1.00 0.38 N ATOM 646 CA SER A 44 6.678 13.229 -2.998 1.00 0.40 C ATOM 647 C SER A 44 5.878 12.051 -3.519 1.00 0.33 C ATOM 648 O SER A 44 5.785 11.018 -2.871 1.00 0.28 O ATOM 649 CB SER A 44 8.174 13.075 -3.333 1.00 0.51 C ATOM 650 OG SER A 44 8.436 13.124 -4.736 1.00 1.37 O ATOM 0 H SER A 44 7.240 12.805 -1.033 1.00 0.38 H new ATOM 0 HA SER A 44 6.302 14.134 -3.476 1.00 0.40 H new ATOM 0 HB2 SER A 44 8.736 13.865 -2.835 1.00 0.51 H new ATOM 0 HB3 SER A 44 8.535 12.127 -2.934 1.00 0.51 H new ATOM 0 HG SER A 44 9.398 13.023 -4.893 1.00 1.37 H new ATOM 656 N VAL A 45 5.258 12.243 -4.657 1.00 0.41 N ATOM 657 CA VAL A 45 4.481 11.217 -5.312 1.00 0.41 C ATOM 658 C VAL A 45 5.348 10.021 -5.668 1.00 0.39 C ATOM 659 O VAL A 45 6.298 10.139 -6.441 1.00 0.45 O ATOM 660 CB VAL A 45 3.777 11.780 -6.577 1.00 0.55 C ATOM 661 CG1 VAL A 45 3.231 10.675 -7.445 1.00 0.68 C ATOM 662 CG2 VAL A 45 2.645 12.678 -6.169 1.00 0.70 C ATOM 0 H VAL A 45 5.278 13.129 -5.163 1.00 0.41 H new ATOM 0 HA VAL A 45 3.713 10.882 -4.615 1.00 0.41 H new ATOM 0 HB VAL A 45 4.519 12.337 -7.149 1.00 0.55 H new ATOM 0 HG11 VAL A 45 2.746 11.106 -8.320 1.00 0.68 H new ATOM 0 HG12 VAL A 45 4.047 10.027 -7.765 1.00 0.68 H new ATOM 0 HG13 VAL A 45 2.505 10.092 -6.878 1.00 0.68 H new ATOM 0 HG21 VAL A 45 2.154 13.071 -7.059 1.00 0.70 H new ATOM 0 HG22 VAL A 45 1.926 12.111 -5.578 1.00 0.70 H new ATOM 0 HG23 VAL A 45 3.033 13.505 -5.574 1.00 0.70 H new ATOM 672 N LEU A 46 5.032 8.888 -5.081 1.00 0.37 N ATOM 673 CA LEU A 46 5.753 7.682 -5.350 1.00 0.40 C ATOM 674 C LEU A 46 5.083 6.952 -6.491 1.00 0.44 C ATOM 675 O LEU A 46 3.856 6.711 -6.465 1.00 0.51 O ATOM 676 CB LEU A 46 5.798 6.773 -4.116 1.00 0.44 C ATOM 677 CG LEU A 46 6.580 5.458 -4.286 1.00 0.51 C ATOM 678 CD1 LEU A 46 8.069 5.716 -4.473 1.00 0.57 C ATOM 679 CD2 LEU A 46 6.329 4.517 -3.123 1.00 0.61 C ATOM 0 H LEU A 46 4.271 8.785 -4.409 1.00 0.37 H new ATOM 0 HA LEU A 46 6.778 7.942 -5.615 1.00 0.40 H new ATOM 0 HB2 LEU A 46 6.238 7.333 -3.291 1.00 0.44 H new ATOM 0 HB3 LEU A 46 4.775 6.532 -3.827 1.00 0.44 H new ATOM 0 HG LEU A 46 6.215 4.974 -5.192 1.00 0.51 H new ATOM 0 HD11 LEU A 46 8.591 4.766 -4.590 1.00 0.57 H new ATOM 0 HD12 LEU A 46 8.224 6.327 -5.362 1.00 0.57 H new ATOM 0 HD13 LEU A 46 8.460 6.240 -3.601 1.00 0.57 H new ATOM 0 HD21 LEU A 46 6.894 3.597 -3.271 1.00 0.61 H new ATOM 0 HD22 LEU A 46 6.646 4.993 -2.195 1.00 0.61 H new ATOM 0 HD23 LEU A 46 5.266 4.284 -3.066 1.00 0.61 H new ATOM 691 N ASN A 47 5.849 6.636 -7.489 1.00 0.54 N ATOM 692 CA ASN A 47 5.344 5.887 -8.600 1.00 0.59 C ATOM 693 C ASN A 47 5.610 4.418 -8.378 1.00 0.53 C ATOM 694 O ASN A 47 6.704 4.031 -7.915 1.00 0.64 O ATOM 695 CB ASN A 47 5.953 6.341 -9.934 1.00 0.79 C ATOM 696 CG ASN A 47 5.491 7.718 -10.355 1.00 1.54 C ATOM 697 OD1 ASN A 47 6.105 8.729 -10.011 1.00 2.47 O ATOM 698 ND2 ASN A 47 4.438 7.774 -11.125 1.00 1.94 N ATOM 0 H ASN A 47 6.835 6.887 -7.558 1.00 0.54 H new ATOM 0 HA ASN A 47 4.271 6.066 -8.663 1.00 0.59 H new ATOM 0 HB2 ASN A 47 7.040 6.338 -9.851 1.00 0.79 H new ATOM 0 HB3 ASN A 47 5.691 5.622 -10.710 1.00 0.79 H new ATOM 0 HD21 ASN A 47 4.100 8.675 -11.461 1.00 1.94 H new ATOM 0 HD22 ASN A 47 3.954 6.916 -11.390 1.00 1.94 H new ATOM 705 N GLU A 48 4.627 3.610 -8.685 1.00 0.49 N ATOM 706 CA GLU A 48 4.700 2.172 -8.522 1.00 0.53 C ATOM 707 C GLU A 48 5.475 1.586 -9.692 1.00 0.53 C ATOM 708 O GLU A 48 4.887 1.146 -10.696 1.00 0.70 O ATOM 709 CB GLU A 48 3.292 1.597 -8.496 1.00 0.69 C ATOM 710 CG GLU A 48 2.401 2.190 -7.429 1.00 0.74 C ATOM 711 CD GLU A 48 0.980 1.751 -7.594 1.00 1.12 C ATOM 712 OE1 GLU A 48 0.245 2.362 -8.384 1.00 1.56 O ATOM 713 OE2 GLU A 48 0.561 0.791 -6.908 1.00 1.74 O ATOM 0 H GLU A 48 3.736 3.934 -9.062 1.00 0.49 H new ATOM 0 HA GLU A 48 5.204 1.925 -7.588 1.00 0.53 H new ATOM 0 HB2 GLU A 48 2.829 1.755 -9.470 1.00 0.69 H new ATOM 0 HB3 GLU A 48 3.354 0.519 -8.344 1.00 0.69 H new ATOM 0 HG2 GLU A 48 2.763 1.892 -6.445 1.00 0.74 H new ATOM 0 HG3 GLU A 48 2.454 3.278 -7.473 1.00 0.74 H new ATOM 720 N THR A 49 6.768 1.617 -9.570 1.00 0.53 N ATOM 721 CA THR A 49 7.653 1.172 -10.603 1.00 0.58 C ATOM 722 C THR A 49 7.861 -0.356 -10.523 1.00 0.60 C ATOM 723 O THR A 49 7.283 -1.007 -9.657 1.00 0.65 O ATOM 724 CB THR A 49 9.012 1.948 -10.522 1.00 0.71 C ATOM 725 OG1 THR A 49 9.895 1.574 -11.585 1.00 1.57 O ATOM 726 CG2 THR A 49 9.700 1.714 -9.182 1.00 0.98 C ATOM 0 H THR A 49 7.245 1.958 -8.736 1.00 0.53 H new ATOM 0 HA THR A 49 7.203 1.387 -11.572 1.00 0.58 H new ATOM 0 HB THR A 49 8.778 3.008 -10.621 1.00 0.71 H new ATOM 0 HG1 THR A 49 10.732 2.077 -11.507 1.00 1.57 H new ATOM 0 HG21 THR A 49 10.640 2.265 -9.155 1.00 0.98 H new ATOM 0 HG22 THR A 49 9.053 2.060 -8.376 1.00 0.98 H new ATOM 0 HG23 THR A 49 9.899 0.650 -9.056 1.00 0.98 H new ATOM 734 N SER A 50 8.674 -0.912 -11.386 1.00 0.68 N ATOM 735 CA SER A 50 8.890 -2.345 -11.434 1.00 0.78 C ATOM 736 C SER A 50 9.426 -2.884 -10.096 1.00 0.72 C ATOM 737 O SER A 50 9.072 -3.981 -9.662 1.00 0.86 O ATOM 738 CB SER A 50 9.881 -2.648 -12.534 1.00 0.96 C ATOM 739 OG SER A 50 9.510 -1.995 -13.747 1.00 1.52 O ATOM 0 H SER A 50 9.208 -0.387 -12.078 1.00 0.68 H new ATOM 0 HA SER A 50 7.935 -2.833 -11.629 1.00 0.78 H new ATOM 0 HB2 SER A 50 10.877 -2.324 -12.231 1.00 0.96 H new ATOM 0 HB3 SER A 50 9.932 -3.725 -12.697 1.00 0.96 H new ATOM 0 HG SER A 50 10.166 -2.203 -14.445 1.00 1.52 H new ATOM 745 N PHE A 51 10.243 -2.084 -9.431 1.00 0.64 N ATOM 746 CA PHE A 51 10.878 -2.517 -8.203 1.00 0.68 C ATOM 747 C PHE A 51 10.019 -2.251 -6.973 1.00 0.55 C ATOM 748 O PHE A 51 10.283 -2.800 -5.906 1.00 0.61 O ATOM 749 CB PHE A 51 12.256 -1.875 -8.045 1.00 0.87 C ATOM 750 CG PHE A 51 13.176 -2.168 -9.194 1.00 1.08 C ATOM 751 CD1 PHE A 51 13.587 -3.465 -9.453 1.00 1.39 C ATOM 752 CD2 PHE A 51 13.627 -1.151 -10.014 1.00 1.16 C ATOM 753 CE1 PHE A 51 14.427 -3.740 -10.511 1.00 1.59 C ATOM 754 CE2 PHE A 51 14.469 -1.422 -11.070 1.00 1.37 C ATOM 755 CZ PHE A 51 14.869 -2.716 -11.320 1.00 1.52 C ATOM 0 H PHE A 51 10.480 -1.135 -9.721 1.00 0.64 H new ATOM 0 HA PHE A 51 11.000 -3.598 -8.279 1.00 0.68 H new ATOM 0 HB2 PHE A 51 12.139 -0.796 -7.947 1.00 0.87 H new ATOM 0 HB3 PHE A 51 12.713 -2.231 -7.121 1.00 0.87 H new ATOM 0 HD1 PHE A 51 13.246 -4.270 -8.819 1.00 1.39 H new ATOM 0 HD2 PHE A 51 13.316 -0.134 -9.825 1.00 1.16 H new ATOM 0 HE1 PHE A 51 14.738 -4.756 -10.705 1.00 1.59 H new ATOM 0 HE2 PHE A 51 14.816 -0.619 -11.703 1.00 1.37 H new ATOM 0 HZ PHE A 51 15.528 -2.928 -12.149 1.00 1.52 H new ATOM 765 N ILE A 52 8.993 -1.441 -7.119 1.00 0.46 N ATOM 766 CA ILE A 52 8.137 -1.094 -5.995 1.00 0.39 C ATOM 767 C ILE A 52 6.701 -1.193 -6.474 1.00 0.37 C ATOM 768 O ILE A 52 6.224 -0.300 -7.169 1.00 0.43 O ATOM 769 CB ILE A 52 8.369 0.385 -5.540 1.00 0.41 C ATOM 770 CG1 ILE A 52 9.865 0.694 -5.341 1.00 0.46 C ATOM 771 CG2 ILE A 52 7.613 0.652 -4.244 1.00 0.41 C ATOM 772 CD1 ILE A 52 10.151 2.139 -4.978 1.00 0.50 C ATOM 0 H ILE A 52 8.728 -1.008 -8.004 1.00 0.46 H new ATOM 0 HA ILE A 52 8.356 -1.763 -5.163 1.00 0.39 H new ATOM 0 HB ILE A 52 7.995 1.037 -6.329 1.00 0.41 H new ATOM 0 HG12 ILE A 52 10.258 0.048 -4.556 1.00 0.46 H new ATOM 0 HG13 ILE A 52 10.402 0.446 -6.257 1.00 0.46 H new ATOM 0 HG21 ILE A 52 7.778 1.683 -3.932 1.00 0.41 H new ATOM 0 HG22 ILE A 52 6.547 0.488 -4.404 1.00 0.41 H new ATOM 0 HG23 ILE A 52 7.972 -0.024 -3.468 1.00 0.41 H new ATOM 0 HD11 ILE A 52 11.225 2.277 -4.855 1.00 0.50 H new ATOM 0 HD12 ILE A 52 9.790 2.792 -5.772 1.00 0.50 H new ATOM 0 HD13 ILE A 52 9.644 2.387 -4.046 1.00 0.50 H new ATOM 784 N PHE A 53 5.999 -2.220 -6.087 1.00 0.33 N ATOM 785 CA PHE A 53 4.656 -2.391 -6.585 1.00 0.37 C ATOM 786 C PHE A 53 3.693 -2.784 -5.492 1.00 0.31 C ATOM 787 O PHE A 53 4.054 -3.493 -4.533 1.00 0.29 O ATOM 788 CB PHE A 53 4.608 -3.397 -7.763 1.00 0.48 C ATOM 789 CG PHE A 53 5.096 -4.796 -7.451 1.00 1.06 C ATOM 790 CD1 PHE A 53 6.421 -5.146 -7.662 1.00 1.95 C ATOM 791 CD2 PHE A 53 4.223 -5.761 -6.963 1.00 1.15 C ATOM 792 CE1 PHE A 53 6.864 -6.425 -7.390 1.00 2.87 C ATOM 793 CE2 PHE A 53 4.664 -7.038 -6.687 1.00 2.02 C ATOM 794 CZ PHE A 53 5.986 -7.371 -6.902 1.00 2.89 C ATOM 0 H PHE A 53 6.322 -2.941 -5.441 1.00 0.33 H new ATOM 0 HA PHE A 53 4.335 -1.421 -6.965 1.00 0.37 H new ATOM 0 HB2 PHE A 53 3.580 -3.462 -8.120 1.00 0.48 H new ATOM 0 HB3 PHE A 53 5.206 -2.998 -8.582 1.00 0.48 H new ATOM 0 HD1 PHE A 53 7.114 -4.410 -8.043 1.00 1.95 H new ATOM 0 HD2 PHE A 53 3.186 -5.508 -6.798 1.00 1.15 H new ATOM 0 HE1 PHE A 53 7.898 -6.685 -7.559 1.00 2.87 H new ATOM 0 HE2 PHE A 53 3.976 -7.777 -6.303 1.00 2.02 H new ATOM 0 HZ PHE A 53 6.333 -8.371 -6.688 1.00 2.89 H new ATOM 804 N THR A 54 2.484 -2.312 -5.623 1.00 0.35 N ATOM 805 CA THR A 54 1.442 -2.619 -4.701 1.00 0.35 C ATOM 806 C THR A 54 0.743 -3.873 -5.188 1.00 0.35 C ATOM 807 O THR A 54 0.071 -3.857 -6.233 1.00 0.40 O ATOM 808 CB THR A 54 0.408 -1.479 -4.662 1.00 0.39 C ATOM 809 OG1 THR A 54 1.080 -0.224 -4.546 1.00 0.43 O ATOM 810 CG2 THR A 54 -0.527 -1.650 -3.481 1.00 0.44 C ATOM 0 H THR A 54 2.198 -1.697 -6.384 1.00 0.35 H new ATOM 0 HA THR A 54 1.866 -2.755 -3.706 1.00 0.35 H new ATOM 0 HB THR A 54 -0.172 -1.507 -5.584 1.00 0.39 H new ATOM 0 HG1 THR A 54 1.111 0.213 -5.423 1.00 0.43 H new ATOM 0 HG21 THR A 54 -1.251 -0.835 -3.469 1.00 0.44 H new ATOM 0 HG22 THR A 54 -1.052 -2.601 -3.568 1.00 0.44 H new ATOM 0 HG23 THR A 54 0.049 -1.637 -2.556 1.00 0.44 H new ATOM 818 N GLU A 55 0.911 -4.952 -4.491 1.00 0.36 N ATOM 819 CA GLU A 55 0.261 -6.147 -4.893 1.00 0.42 C ATOM 820 C GLU A 55 -0.935 -6.372 -4.017 1.00 0.44 C ATOM 821 O GLU A 55 -0.809 -6.561 -2.803 1.00 0.57 O ATOM 822 CB GLU A 55 1.189 -7.360 -4.878 1.00 0.60 C ATOM 823 CG GLU A 55 0.560 -8.590 -5.526 1.00 1.21 C ATOM 824 CD GLU A 55 1.436 -9.805 -5.477 1.00 1.38 C ATOM 825 OE1 GLU A 55 2.314 -9.971 -6.343 1.00 1.67 O ATOM 826 OE2 GLU A 55 1.258 -10.640 -4.566 1.00 2.04 O ATOM 0 H GLU A 55 1.486 -5.025 -3.652 1.00 0.36 H new ATOM 0 HA GLU A 55 -0.056 -6.027 -5.929 1.00 0.42 H new ATOM 0 HB2 GLU A 55 2.113 -7.112 -5.400 1.00 0.60 H new ATOM 0 HB3 GLU A 55 1.458 -7.594 -3.848 1.00 0.60 H new ATOM 0 HG2 GLU A 55 -0.383 -8.812 -5.027 1.00 1.21 H new ATOM 0 HG3 GLU A 55 0.325 -8.363 -6.566 1.00 1.21 H new ATOM 833 N PHE A 56 -2.079 -6.283 -4.615 1.00 0.52 N ATOM 834 CA PHE A 56 -3.320 -6.524 -3.941 1.00 0.62 C ATOM 835 C PHE A 56 -3.591 -7.996 -4.043 1.00 0.73 C ATOM 836 O PHE A 56 -3.439 -8.574 -5.125 1.00 0.87 O ATOM 837 CB PHE A 56 -4.463 -5.784 -4.647 1.00 0.68 C ATOM 838 CG PHE A 56 -4.305 -4.299 -4.785 1.00 0.63 C ATOM 839 CD1 PHE A 56 -4.885 -3.432 -3.868 1.00 0.69 C ATOM 840 CD2 PHE A 56 -3.555 -3.770 -5.810 1.00 0.61 C ATOM 841 CE1 PHE A 56 -4.714 -2.069 -3.978 1.00 0.69 C ATOM 842 CE2 PHE A 56 -3.383 -2.410 -5.925 1.00 0.59 C ATOM 843 CZ PHE A 56 -4.066 -1.552 -5.071 1.00 0.61 C ATOM 0 H PHE A 56 -2.182 -6.037 -5.600 1.00 0.52 H new ATOM 0 HA PHE A 56 -3.258 -6.182 -2.908 1.00 0.62 H new ATOM 0 HB2 PHE A 56 -4.583 -6.210 -5.643 1.00 0.68 H new ATOM 0 HB3 PHE A 56 -5.387 -5.981 -4.103 1.00 0.68 H new ATOM 0 HD1 PHE A 56 -5.478 -3.831 -3.058 1.00 0.69 H new ATOM 0 HD2 PHE A 56 -3.096 -4.429 -6.532 1.00 0.61 H new ATOM 0 HE1 PHE A 56 -5.088 -1.411 -3.208 1.00 0.69 H new ATOM 0 HE2 PHE A 56 -2.719 -2.010 -6.677 1.00 0.59 H new ATOM 0 HZ PHE A 56 -4.086 -0.490 -5.266 1.00 0.61 H new ATOM 853 N LEU A 57 -3.967 -8.619 -2.970 1.00 0.77 N ATOM 854 CA LEU A 57 -4.276 -10.019 -3.044 1.00 0.93 C ATOM 855 C LEU A 57 -5.713 -10.183 -3.506 1.00 1.04 C ATOM 856 O LEU A 57 -6.478 -9.191 -3.510 1.00 1.04 O ATOM 857 CB LEU A 57 -3.944 -10.762 -1.713 1.00 1.01 C ATOM 858 CG LEU A 57 -4.566 -10.265 -0.397 1.00 0.99 C ATOM 859 CD1 LEU A 57 -6.037 -10.626 -0.298 1.00 1.25 C ATOM 860 CD2 LEU A 57 -3.797 -10.824 0.788 1.00 1.16 C ATOM 0 H LEU A 57 -4.067 -8.194 -2.048 1.00 0.77 H new ATOM 0 HA LEU A 57 -3.637 -10.501 -3.784 1.00 0.93 H new ATOM 0 HB2 LEU A 57 -4.235 -11.805 -1.839 1.00 1.01 H new ATOM 0 HB3 LEU A 57 -2.861 -10.745 -1.590 1.00 1.01 H new ATOM 0 HG LEU A 57 -4.497 -9.177 -0.385 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -6.439 -10.257 0.646 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -6.580 -10.171 -1.126 1.00 1.25 H new ATOM 0 HD13 LEU A 57 -6.150 -11.709 -0.342 1.00 1.25 H new ATOM 0 HD21 LEU A 57 -4.246 -10.466 1.715 1.00 1.16 H new ATOM 0 HD22 LEU A 57 -3.833 -11.913 0.764 1.00 1.16 H new ATOM 0 HD23 LEU A 57 -2.759 -10.495 0.736 1.00 1.16 H new ATOM 872 N GLU A 58 -6.069 -11.375 -3.935 1.00 1.18 N ATOM 873 CA GLU A 58 -7.412 -11.653 -4.411 1.00 1.31 C ATOM 874 C GLU A 58 -8.396 -11.373 -3.289 1.00 1.24 C ATOM 875 O GLU A 58 -8.288 -11.982 -2.220 1.00 1.32 O ATOM 876 CB GLU A 58 -7.515 -13.107 -4.861 1.00 1.61 C ATOM 877 CG GLU A 58 -6.579 -13.453 -6.006 1.00 2.01 C ATOM 878 CD GLU A 58 -6.819 -12.603 -7.228 1.00 2.65 C ATOM 879 OE1 GLU A 58 -6.071 -11.619 -7.435 1.00 3.36 O ATOM 880 OE2 GLU A 58 -7.770 -12.882 -7.996 1.00 2.90 O ATOM 0 H GLU A 58 -5.440 -12.178 -3.965 1.00 1.18 H new ATOM 0 HA GLU A 58 -7.644 -11.015 -5.264 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -7.297 -13.758 -4.014 1.00 1.61 H new ATOM 0 HB3 GLU A 58 -8.541 -13.313 -5.166 1.00 1.61 H new ATOM 0 HG2 GLU A 58 -5.547 -13.328 -5.678 1.00 2.01 H new ATOM 0 HG3 GLU A 58 -6.705 -14.504 -6.268 1.00 2.01 H new ATOM 887 N PRO A 59 -9.358 -10.439 -3.503 1.00 1.21 N ATOM 888 CA PRO A 59 -10.273 -10.001 -2.459 1.00 1.25 C ATOM 889 C PRO A 59 -10.999 -11.161 -1.852 1.00 1.26 C ATOM 890 O PRO A 59 -11.553 -12.025 -2.572 1.00 1.35 O ATOM 891 CB PRO A 59 -11.251 -9.065 -3.177 1.00 1.37 C ATOM 892 CG PRO A 59 -10.520 -8.631 -4.390 1.00 1.39 C ATOM 893 CD PRO A 59 -9.667 -9.796 -4.783 1.00 1.30 C ATOM 0 HA PRO A 59 -9.752 -9.511 -1.637 1.00 1.25 H new ATOM 0 HB2 PRO A 59 -12.177 -9.579 -3.434 1.00 1.37 H new ATOM 0 HB3 PRO A 59 -11.521 -8.215 -2.550 1.00 1.37 H new ATOM 0 HG2 PRO A 59 -11.211 -8.363 -5.189 1.00 1.39 H new ATOM 0 HG3 PRO A 59 -9.911 -7.750 -4.187 1.00 1.39 H new ATOM 0 HD2 PRO A 59 -10.196 -10.472 -5.455 1.00 1.30 H new ATOM 0 HD3 PRO A 59 -8.763 -9.475 -5.300 1.00 1.30 H new ATOM 901 N ALA A 60 -10.952 -11.228 -0.555 1.00 1.29 N ATOM 902 CA ALA A 60 -11.597 -12.274 0.148 1.00 1.40 C ATOM 903 C ALA A 60 -13.073 -11.988 0.189 1.00 1.40 C ATOM 904 O ALA A 60 -13.498 -10.924 0.630 1.00 1.33 O ATOM 905 CB ALA A 60 -11.015 -12.432 1.540 1.00 1.53 C ATOM 0 H ALA A 60 -10.464 -10.556 0.037 1.00 1.29 H new ATOM 0 HA ALA A 60 -11.434 -13.221 -0.367 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -11.528 -13.242 2.059 1.00 1.53 H new ATOM 0 HB2 ALA A 60 -9.952 -12.664 1.466 1.00 1.53 H new ATOM 0 HB3 ALA A 60 -11.146 -11.504 2.097 1.00 1.53 H new ATOM 911 N ALA A 61 -13.841 -12.955 -0.273 1.00 1.55 N ATOM 912 CA ALA A 61 -15.283 -12.836 -0.450 1.00 1.65 C ATOM 913 C ALA A 61 -16.013 -12.466 0.837 1.00 1.59 C ATOM 914 O ALA A 61 -17.056 -11.816 0.796 1.00 1.70 O ATOM 915 CB ALA A 61 -15.837 -14.133 -1.018 1.00 1.91 C ATOM 0 H ALA A 61 -13.476 -13.868 -0.543 1.00 1.55 H new ATOM 0 HA ALA A 61 -15.456 -12.018 -1.149 1.00 1.65 H new ATOM 0 HB1 ALA A 61 -16.915 -14.041 -1.149 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -15.370 -14.337 -1.982 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -15.623 -14.952 -0.331 1.00 1.91 H new ATOM 921 N ASN A 62 -15.446 -12.841 1.963 1.00 1.52 N ATOM 922 CA ASN A 62 -16.076 -12.595 3.265 1.00 1.56 C ATOM 923 C ASN A 62 -15.620 -11.280 3.881 1.00 1.33 C ATOM 924 O ASN A 62 -16.196 -10.824 4.866 1.00 1.40 O ATOM 925 CB ASN A 62 -15.764 -13.731 4.256 1.00 1.82 C ATOM 926 CG ASN A 62 -16.277 -15.086 3.812 1.00 2.72 C ATOM 927 OD1 ASN A 62 -15.573 -15.839 3.124 1.00 3.49 O ATOM 928 ND2 ASN A 62 -17.484 -15.414 4.187 1.00 3.19 N ATOM 0 H ASN A 62 -14.547 -13.320 2.015 1.00 1.52 H new ATOM 0 HA ASN A 62 -17.149 -12.547 3.080 1.00 1.56 H new ATOM 0 HB2 ASN A 62 -14.685 -13.790 4.399 1.00 1.82 H new ATOM 0 HB3 ASN A 62 -16.201 -13.487 5.224 1.00 1.82 H new ATOM 0 HD21 ASN A 62 -17.876 -16.315 3.914 1.00 3.19 H new ATOM 0 HD22 ASN A 62 -18.035 -14.769 4.753 1.00 3.19 H new ATOM 935 N GLU A 63 -14.625 -10.653 3.294 1.00 1.20 N ATOM 936 CA GLU A 63 -14.044 -9.470 3.894 1.00 1.07 C ATOM 937 C GLU A 63 -14.515 -8.201 3.227 1.00 0.90 C ATOM 938 O GLU A 63 -14.846 -8.178 2.043 1.00 0.97 O ATOM 939 CB GLU A 63 -12.516 -9.514 3.834 1.00 1.16 C ATOM 940 CG GLU A 63 -11.881 -10.651 4.608 1.00 1.31 C ATOM 941 CD GLU A 63 -12.241 -10.651 6.072 1.00 1.42 C ATOM 942 OE1 GLU A 63 -12.304 -9.567 6.685 1.00 1.48 O ATOM 943 OE2 GLU A 63 -12.409 -11.742 6.644 1.00 1.89 O ATOM 0 H GLU A 63 -14.204 -10.938 2.410 1.00 1.20 H new ATOM 0 HA GLU A 63 -14.375 -9.465 4.932 1.00 1.07 H new ATOM 0 HB2 GLU A 63 -12.210 -9.588 2.791 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -12.124 -8.571 4.215 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -12.188 -11.599 4.166 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -10.797 -10.589 4.508 1.00 1.31 H new ATOM 950 N THR A 64 -14.560 -7.158 4.001 1.00 0.80 N ATOM 951 CA THR A 64 -14.843 -5.835 3.528 1.00 0.74 C ATOM 952 C THR A 64 -13.540 -5.033 3.505 1.00 0.59 C ATOM 953 O THR A 64 -13.527 -3.823 3.275 1.00 0.61 O ATOM 954 CB THR A 64 -15.850 -5.170 4.477 1.00 0.90 C ATOM 955 OG1 THR A 64 -15.480 -5.485 5.826 1.00 1.30 O ATOM 956 CG2 THR A 64 -17.269 -5.651 4.210 1.00 1.15 C ATOM 0 H THR A 64 -14.396 -7.205 5.007 1.00 0.80 H new ATOM 0 HA THR A 64 -15.266 -5.872 2.524 1.00 0.74 H new ATOM 0 HB THR A 64 -15.830 -4.093 4.313 1.00 0.90 H new ATOM 0 HG1 THR A 64 -16.113 -5.066 6.445 1.00 1.30 H new ATOM 0 HG21 THR A 64 -17.955 -5.160 4.900 1.00 1.15 H new ATOM 0 HG22 THR A 64 -17.549 -5.408 3.185 1.00 1.15 H new ATOM 0 HG23 THR A 64 -17.320 -6.730 4.354 1.00 1.15 H new ATOM 964 N VAL A 65 -12.447 -5.738 3.748 1.00 0.53 N ATOM 965 CA VAL A 65 -11.140 -5.143 3.840 1.00 0.45 C ATOM 966 C VAL A 65 -10.289 -5.594 2.665 1.00 0.42 C ATOM 967 O VAL A 65 -10.245 -6.786 2.347 1.00 0.49 O ATOM 968 CB VAL A 65 -10.414 -5.574 5.149 1.00 0.52 C ATOM 969 CG1 VAL A 65 -9.139 -4.776 5.364 1.00 0.50 C ATOM 970 CG2 VAL A 65 -11.328 -5.493 6.360 1.00 0.61 C ATOM 0 H VAL A 65 -12.451 -6.748 3.887 1.00 0.53 H new ATOM 0 HA VAL A 65 -11.269 -4.061 3.837 1.00 0.45 H new ATOM 0 HB VAL A 65 -10.134 -6.621 5.029 1.00 0.52 H new ATOM 0 HG11 VAL A 65 -8.657 -5.102 6.286 1.00 0.50 H new ATOM 0 HG12 VAL A 65 -8.463 -4.937 4.524 1.00 0.50 H new ATOM 0 HG13 VAL A 65 -9.381 -3.716 5.436 1.00 0.50 H new ATOM 0 HG21 VAL A 65 -10.781 -5.802 7.250 1.00 0.61 H new ATOM 0 HG22 VAL A 65 -11.675 -4.468 6.486 1.00 0.61 H new ATOM 0 HG23 VAL A 65 -12.185 -6.151 6.214 1.00 0.61 H new ATOM 980 N ARG A 66 -9.618 -4.666 2.031 1.00 0.37 N ATOM 981 CA ARG A 66 -8.710 -4.983 0.951 1.00 0.36 C ATOM 982 C ARG A 66 -7.364 -5.273 1.585 1.00 0.34 C ATOM 983 O ARG A 66 -6.929 -4.543 2.496 1.00 0.41 O ATOM 984 CB ARG A 66 -8.547 -3.807 -0.031 1.00 0.42 C ATOM 985 CG ARG A 66 -9.840 -3.245 -0.620 1.00 1.13 C ATOM 986 CD ARG A 66 -9.555 -2.106 -1.612 1.00 1.10 C ATOM 987 NE ARG A 66 -8.796 -2.576 -2.784 1.00 0.82 N ATOM 988 CZ ARG A 66 -8.526 -1.871 -3.901 1.00 1.15 C ATOM 989 NH1 ARG A 66 -8.715 -0.557 -3.938 1.00 1.61 N ATOM 990 NH2 ARG A 66 -8.011 -2.489 -4.963 1.00 1.84 N ATOM 0 H ARG A 66 -9.683 -3.671 2.246 1.00 0.37 H new ATOM 0 HA ARG A 66 -9.101 -5.829 0.387 1.00 0.36 H new ATOM 0 HB2 ARG A 66 -8.024 -3.000 0.482 1.00 0.42 H new ATOM 0 HB3 ARG A 66 -7.907 -4.131 -0.852 1.00 0.42 H new ATOM 0 HG2 ARG A 66 -10.388 -4.041 -1.125 1.00 1.13 H new ATOM 0 HG3 ARG A 66 -10.479 -2.878 0.184 1.00 1.13 H new ATOM 0 HD2 ARG A 66 -10.497 -1.667 -1.941 1.00 1.10 H new ATOM 0 HD3 ARG A 66 -8.995 -1.318 -1.109 1.00 1.10 H new ATOM 0 HE ARG A 66 -8.439 -3.531 -2.747 1.00 0.82 H new ATOM 0 HH11 ARG A 66 -9.068 -0.069 -3.115 1.00 1.61 H new ATOM 0 HH12 ARG A 66 -8.507 -0.036 -4.790 1.00 1.61 H new ATOM 0 HH21 ARG A 66 -7.823 -3.491 -4.929 1.00 1.84 H new ATOM 0 HH22 ARG A 66 -7.805 -1.960 -5.811 1.00 1.84 H new ATOM 1004 N HIS A 67 -6.725 -6.317 1.157 1.00 0.35 N ATOM 1005 CA HIS A 67 -5.440 -6.686 1.703 1.00 0.39 C ATOM 1006 C HIS A 67 -4.430 -6.787 0.604 1.00 0.35 C ATOM 1007 O HIS A 67 -4.778 -7.004 -0.564 1.00 0.46 O ATOM 1008 CB HIS A 67 -5.484 -8.017 2.473 1.00 0.53 C ATOM 1009 CG HIS A 67 -6.291 -8.003 3.725 1.00 0.69 C ATOM 1010 ND1 HIS A 67 -5.749 -7.755 4.964 1.00 1.08 N ATOM 1011 CD2 HIS A 67 -7.607 -8.223 3.931 1.00 0.72 C ATOM 1012 CE1 HIS A 67 -6.692 -7.817 5.871 1.00 1.16 C ATOM 1013 NE2 HIS A 67 -7.830 -8.102 5.274 1.00 0.90 N ATOM 0 H HIS A 67 -7.069 -6.938 0.425 1.00 0.35 H new ATOM 0 HA HIS A 67 -5.159 -5.905 2.409 1.00 0.39 H new ATOM 0 HB2 HIS A 67 -5.883 -8.787 1.812 1.00 0.53 H new ATOM 0 HB3 HIS A 67 -4.463 -8.308 2.722 1.00 0.53 H new ATOM 0 HD2 HIS A 67 -8.345 -8.452 3.176 1.00 0.72 H new ATOM 0 HE1 HIS A 67 -6.558 -7.660 6.931 1.00 1.16 H new ATOM 0 HE2 HIS A 67 -8.731 -8.214 5.738 1.00 0.90 H new ATOM 1022 N GLY A 68 -3.204 -6.624 0.960 1.00 0.30 N ATOM 1023 CA GLY A 68 -2.150 -6.725 0.028 1.00 0.31 C ATOM 1024 C GLY A 68 -0.894 -6.237 0.646 1.00 0.24 C ATOM 1025 O GLY A 68 -0.871 -5.933 1.854 1.00 0.26 O ATOM 0 H GLY A 68 -2.908 -6.416 1.914 1.00 0.30 H new ATOM 0 HA2 GLY A 68 -2.032 -7.760 -0.292 1.00 0.31 H new ATOM 0 HA3 GLY A 68 -2.381 -6.140 -0.862 1.00 0.31 H new ATOM 1029 N CYS A 69 0.120 -6.113 -0.138 1.00 0.21 N ATOM 1030 CA CYS A 69 1.389 -5.691 0.353 1.00 0.20 C ATOM 1031 C CYS A 69 2.136 -4.899 -0.699 1.00 0.19 C ATOM 1032 O CYS A 69 2.048 -5.193 -1.906 1.00 0.22 O ATOM 1033 CB CYS A 69 2.220 -6.907 0.780 1.00 0.25 C ATOM 1034 SG CYS A 69 3.916 -6.496 1.297 1.00 0.36 S ATOM 0 H CYS A 69 0.095 -6.301 -1.140 1.00 0.21 H new ATOM 0 HA CYS A 69 1.225 -5.048 1.218 1.00 0.20 H new ATOM 0 HB2 CYS A 69 1.712 -7.411 1.602 1.00 0.25 H new ATOM 0 HB3 CYS A 69 2.264 -7.614 -0.049 1.00 0.25 H new ATOM 1039 N LEU A 70 2.814 -3.872 -0.257 1.00 0.20 N ATOM 1040 CA LEU A 70 3.710 -3.132 -1.095 1.00 0.22 C ATOM 1041 C LEU A 70 5.041 -3.832 -0.970 1.00 0.23 C ATOM 1042 O LEU A 70 5.714 -3.721 0.070 1.00 0.24 O ATOM 1043 CB LEU A 70 3.848 -1.683 -0.607 1.00 0.24 C ATOM 1044 CG LEU A 70 4.727 -0.758 -1.466 1.00 0.25 C ATOM 1045 CD1 LEU A 70 4.083 -0.484 -2.801 1.00 0.26 C ATOM 1046 CD2 LEU A 70 5.030 0.543 -0.749 1.00 0.28 C ATOM 0 H LEU A 70 2.757 -3.526 0.701 1.00 0.20 H new ATOM 0 HA LEU A 70 3.349 -3.094 -2.123 1.00 0.22 H new ATOM 0 HB2 LEU A 70 2.851 -1.247 -0.543 1.00 0.24 H new ATOM 0 HB3 LEU A 70 4.254 -1.699 0.404 1.00 0.24 H new ATOM 0 HG LEU A 70 5.670 -1.276 -1.638 1.00 0.25 H new ATOM 0 HD11 LEU A 70 4.726 0.172 -3.387 1.00 0.26 H new ATOM 0 HD12 LEU A 70 3.939 -1.423 -3.335 1.00 0.26 H new ATOM 0 HD13 LEU A 70 3.117 -0.003 -2.647 1.00 0.26 H new ATOM 0 HD21 LEU A 70 5.653 1.172 -1.385 1.00 0.28 H new ATOM 0 HD22 LEU A 70 4.097 1.062 -0.527 1.00 0.28 H new ATOM 0 HD23 LEU A 70 5.558 0.332 0.181 1.00 0.28 H new ATOM 1058 N ARG A 71 5.395 -4.612 -1.953 1.00 0.30 N ATOM 1059 CA ARG A 71 6.622 -5.344 -1.857 1.00 0.35 C ATOM 1060 C ARG A 71 7.682 -4.704 -2.667 1.00 0.36 C ATOM 1061 O ARG A 71 7.480 -4.368 -3.845 1.00 0.42 O ATOM 1062 CB ARG A 71 6.499 -6.827 -2.233 1.00 0.51 C ATOM 1063 CG ARG A 71 5.525 -7.610 -1.377 1.00 1.20 C ATOM 1064 CD ARG A 71 5.687 -9.114 -1.557 1.00 1.20 C ATOM 1065 NE ARG A 71 5.655 -9.511 -2.965 1.00 1.43 N ATOM 1066 CZ ARG A 71 4.572 -9.896 -3.635 1.00 1.80 C ATOM 1067 NH1 ARG A 71 3.396 -9.998 -3.024 1.00 1.98 N ATOM 1068 NH2 ARG A 71 4.671 -10.198 -4.915 1.00 2.68 N ATOM 0 H ARG A 71 4.863 -4.755 -2.812 1.00 0.30 H new ATOM 0 HA ARG A 71 6.893 -5.316 -0.802 1.00 0.35 H new ATOM 0 HB2 ARG A 71 6.189 -6.901 -3.275 1.00 0.51 H new ATOM 0 HB3 ARG A 71 7.483 -7.291 -2.160 1.00 0.51 H new ATOM 0 HG2 ARG A 71 5.676 -7.352 -0.329 1.00 1.20 H new ATOM 0 HG3 ARG A 71 4.505 -7.322 -1.633 1.00 1.20 H new ATOM 0 HD2 ARG A 71 6.631 -9.431 -1.114 1.00 1.20 H new ATOM 0 HD3 ARG A 71 4.892 -9.630 -1.018 1.00 1.20 H new ATOM 0 HE ARG A 71 6.538 -9.491 -3.476 1.00 1.43 H new ATOM 0 HH11 ARG A 71 3.317 -9.780 -2.031 1.00 1.98 H new ATOM 0 HH12 ARG A 71 2.573 -10.294 -3.548 1.00 1.98 H new ATOM 0 HH21 ARG A 71 5.574 -10.136 -5.385 1.00 2.68 H new ATOM 0 HH22 ARG A 71 3.845 -10.494 -5.435 1.00 2.68 H new ATOM 1082 N LEU A 72 8.784 -4.498 -2.036 1.00 0.37 N ATOM 1083 CA LEU A 72 9.927 -3.991 -2.680 1.00 0.42 C ATOM 1084 C LEU A 72 10.652 -5.174 -3.261 1.00 0.44 C ATOM 1085 O LEU A 72 11.216 -6.011 -2.527 1.00 0.49 O ATOM 1086 CB LEU A 72 10.772 -3.254 -1.649 1.00 0.50 C ATOM 1087 CG LEU A 72 10.054 -2.071 -0.991 1.00 0.70 C ATOM 1088 CD1 LEU A 72 10.815 -1.560 0.205 1.00 1.23 C ATOM 1089 CD2 LEU A 72 9.883 -0.966 -1.990 1.00 0.61 C ATOM 0 H LEU A 72 8.911 -4.683 -1.041 1.00 0.37 H new ATOM 0 HA LEU A 72 9.689 -3.286 -3.476 1.00 0.42 H new ATOM 0 HB2 LEU A 72 11.078 -3.957 -0.875 1.00 0.50 H new ATOM 0 HB3 LEU A 72 11.681 -2.893 -2.130 1.00 0.50 H new ATOM 0 HG LEU A 72 9.079 -2.416 -0.648 1.00 0.70 H new ATOM 0 HD11 LEU A 72 10.277 -0.721 0.647 1.00 1.23 H new ATOM 0 HD12 LEU A 72 10.913 -2.357 0.942 1.00 1.23 H new ATOM 0 HD13 LEU A 72 11.806 -1.231 -0.108 1.00 1.23 H new ATOM 0 HD21 LEU A 72 9.372 -0.126 -1.519 1.00 0.61 H new ATOM 0 HD22 LEU A 72 10.861 -0.643 -2.346 1.00 0.61 H new ATOM 0 HD23 LEU A 72 9.291 -1.325 -2.832 1.00 0.61 H new ATOM 1101 N ASN A 73 10.593 -5.265 -4.572 1.00 0.56 N ATOM 1102 CA ASN A 73 11.176 -6.376 -5.303 1.00 0.72 C ATOM 1103 C ASN A 73 12.671 -6.311 -5.181 1.00 0.73 C ATOM 1104 O ASN A 73 13.327 -7.296 -4.861 1.00 0.87 O ATOM 1105 CB ASN A 73 10.746 -6.345 -6.774 1.00 0.90 C ATOM 1106 CG ASN A 73 11.146 -7.601 -7.527 1.00 1.41 C ATOM 1107 OD1 ASN A 73 10.405 -8.586 -7.540 1.00 2.18 O ATOM 1108 ND2 ASN A 73 12.278 -7.577 -8.175 1.00 1.84 N ATOM 0 H ASN A 73 10.139 -4.570 -5.165 1.00 0.56 H new ATOM 0 HA ASN A 73 10.821 -7.315 -4.878 1.00 0.72 H new ATOM 0 HB2 ASN A 73 9.664 -6.222 -6.830 1.00 0.90 H new ATOM 0 HB3 ASN A 73 11.191 -5.477 -7.260 1.00 0.90 H new ATOM 0 HD21 ASN A 73 12.574 -8.390 -8.714 1.00 1.84 H new ATOM 0 HD22 ASN A 73 12.867 -6.745 -8.142 1.00 1.84 H new ATOM 1115 N GLN A 74 13.192 -5.145 -5.396 1.00 0.66 N ATOM 1116 CA GLN A 74 14.576 -4.880 -5.210 1.00 0.72 C ATOM 1117 C GLN A 74 14.662 -3.666 -4.324 1.00 0.66 C ATOM 1118 O GLN A 74 14.254 -2.578 -4.733 1.00 0.69 O ATOM 1119 CB GLN A 74 15.287 -4.627 -6.541 1.00 0.86 C ATOM 1120 CG GLN A 74 16.767 -4.296 -6.390 1.00 1.58 C ATOM 1121 CD GLN A 74 17.457 -4.058 -7.714 1.00 2.11 C ATOM 1122 OE1 GLN A 74 17.080 -4.626 -8.746 1.00 2.82 O ATOM 1123 NE2 GLN A 74 18.462 -3.223 -7.706 1.00 2.58 N ATOM 0 H GLN A 74 12.654 -4.338 -5.712 1.00 0.66 H new ATOM 0 HA GLN A 74 15.071 -5.740 -4.759 1.00 0.72 H new ATOM 0 HB2 GLN A 74 15.183 -5.510 -7.172 1.00 0.86 H new ATOM 0 HB3 GLN A 74 14.791 -3.806 -7.058 1.00 0.86 H new ATOM 0 HG2 GLN A 74 16.873 -3.408 -5.766 1.00 1.58 H new ATOM 0 HG3 GLN A 74 17.265 -5.113 -5.869 1.00 1.58 H new ATOM 0 HE21 GLN A 74 18.744 -2.773 -6.835 1.00 2.58 H new ATOM 0 HE22 GLN A 74 18.964 -3.021 -8.571 1.00 2.58 H new ATOM 1132 N PRO A 75 15.106 -3.838 -3.081 1.00 0.75 N ATOM 1133 CA PRO A 75 15.219 -2.732 -2.157 1.00 0.84 C ATOM 1134 C PRO A 75 16.326 -1.771 -2.577 1.00 0.81 C ATOM 1135 O PRO A 75 17.457 -2.180 -2.879 1.00 0.83 O ATOM 1136 CB PRO A 75 15.535 -3.391 -0.821 1.00 1.06 C ATOM 1137 CG PRO A 75 16.114 -4.724 -1.158 1.00 1.25 C ATOM 1138 CD PRO A 75 15.530 -5.122 -2.479 1.00 0.93 C ATOM 0 HA PRO A 75 14.311 -2.130 -2.117 1.00 0.84 H new ATOM 0 HB2 PRO A 75 16.240 -2.792 -0.245 1.00 1.06 H new ATOM 0 HB3 PRO A 75 14.636 -3.496 -0.214 1.00 1.06 H new ATOM 0 HG2 PRO A 75 17.201 -4.671 -1.215 1.00 1.25 H new ATOM 0 HG3 PRO A 75 15.870 -5.458 -0.390 1.00 1.25 H new ATOM 0 HD2 PRO A 75 16.264 -5.633 -3.103 1.00 0.93 H new ATOM 0 HD3 PRO A 75 14.688 -5.803 -2.355 1.00 0.93 H new ATOM 1146 N THR A 76 15.996 -0.518 -2.611 1.00 0.86 N ATOM 1147 CA THR A 76 16.893 0.516 -3.044 1.00 0.90 C ATOM 1148 C THR A 76 17.032 1.574 -1.940 1.00 0.84 C ATOM 1149 O THR A 76 16.302 1.544 -0.951 1.00 0.79 O ATOM 1150 CB THR A 76 16.343 1.157 -4.335 1.00 1.07 C ATOM 1151 OG1 THR A 76 14.973 1.517 -4.136 1.00 1.17 O ATOM 1152 CG2 THR A 76 16.447 0.200 -5.522 1.00 1.22 C ATOM 0 H THR A 76 15.077 -0.174 -2.333 1.00 0.86 H new ATOM 0 HA THR A 76 17.876 0.092 -3.247 1.00 0.90 H new ATOM 0 HB THR A 76 16.940 2.041 -4.558 1.00 1.07 H new ATOM 0 HG1 THR A 76 14.558 0.890 -3.507 1.00 1.17 H new ATOM 0 HG21 THR A 76 16.051 0.683 -6.415 1.00 1.22 H new ATOM 0 HG22 THR A 76 17.492 -0.064 -5.686 1.00 1.22 H new ATOM 0 HG23 THR A 76 15.873 -0.703 -5.313 1.00 1.22 H new ATOM 1160 N HIS A 77 17.954 2.521 -2.111 1.00 0.92 N ATOM 1161 CA HIS A 77 18.202 3.552 -1.077 1.00 0.94 C ATOM 1162 C HIS A 77 17.070 4.585 -0.996 1.00 0.81 C ATOM 1163 O HIS A 77 17.062 5.423 -0.105 1.00 0.85 O ATOM 1164 CB HIS A 77 19.593 4.243 -1.223 1.00 1.20 C ATOM 1165 CG HIS A 77 19.737 5.257 -2.328 1.00 1.36 C ATOM 1166 ND1 HIS A 77 20.111 6.561 -2.097 1.00 1.98 N ATOM 1167 CD2 HIS A 77 19.603 5.140 -3.660 1.00 1.62 C ATOM 1168 CE1 HIS A 77 20.195 7.204 -3.244 1.00 2.03 C ATOM 1169 NE2 HIS A 77 19.892 6.363 -4.211 1.00 1.72 N ATOM 0 H HIS A 77 18.540 2.604 -2.941 1.00 0.92 H new ATOM 0 HA HIS A 77 18.219 3.013 -0.129 1.00 0.94 H new ATOM 0 HB2 HIS A 77 19.829 4.734 -0.279 1.00 1.20 H new ATOM 0 HB3 HIS A 77 20.343 3.467 -1.375 1.00 1.20 H new ATOM 0 HD2 HIS A 77 19.320 4.247 -4.198 1.00 1.62 H new ATOM 0 HE1 HIS A 77 20.466 8.242 -3.369 1.00 2.03 H new ATOM 0 HE2 HIS A 77 19.875 6.584 -5.207 1.00 1.72 H new ATOM 1178 N VAL A 78 16.132 4.540 -1.942 1.00 0.83 N ATOM 1179 CA VAL A 78 14.948 5.385 -1.855 1.00 0.92 C ATOM 1180 C VAL A 78 13.901 4.742 -0.954 1.00 0.90 C ATOM 1181 O VAL A 78 12.901 5.342 -0.619 1.00 1.08 O ATOM 1182 CB VAL A 78 14.299 5.773 -3.220 1.00 1.15 C ATOM 1183 CG1 VAL A 78 15.185 6.716 -4.002 1.00 1.33 C ATOM 1184 CG2 VAL A 78 13.950 4.546 -4.047 1.00 1.14 C ATOM 0 H VAL A 78 16.169 3.937 -2.764 1.00 0.83 H new ATOM 0 HA VAL A 78 15.309 6.321 -1.429 1.00 0.92 H new ATOM 0 HB VAL A 78 13.368 6.294 -2.995 1.00 1.15 H new ATOM 0 HG11 VAL A 78 14.704 6.967 -4.948 1.00 1.33 H new ATOM 0 HG12 VAL A 78 15.347 7.626 -3.424 1.00 1.33 H new ATOM 0 HG13 VAL A 78 16.144 6.236 -4.199 1.00 1.33 H new ATOM 0 HG21 VAL A 78 13.500 4.858 -4.990 1.00 1.14 H new ATOM 0 HG22 VAL A 78 14.855 3.974 -4.249 1.00 1.14 H new ATOM 0 HG23 VAL A 78 13.243 3.925 -3.496 1.00 1.14 H new ATOM 1194 N ASN A 79 14.141 3.500 -0.585 1.00 0.78 N ATOM 1195 CA ASN A 79 13.221 2.728 0.262 1.00 0.90 C ATOM 1196 C ASN A 79 13.559 2.920 1.719 1.00 0.78 C ATOM 1197 O ASN A 79 13.312 2.064 2.553 1.00 0.96 O ATOM 1198 CB ASN A 79 13.262 1.240 -0.103 1.00 1.13 C ATOM 1199 CG ASN A 79 12.829 0.956 -1.535 1.00 1.40 C ATOM 1200 OD1 ASN A 79 13.330 0.027 -2.172 1.00 2.19 O ATOM 1201 ND2 ASN A 79 11.891 1.720 -2.051 1.00 1.22 N ATOM 0 H ASN A 79 14.978 2.986 -0.859 1.00 0.78 H new ATOM 0 HA ASN A 79 12.210 3.095 0.087 1.00 0.90 H new ATOM 0 HB2 ASN A 79 14.275 0.865 0.043 1.00 1.13 H new ATOM 0 HB3 ASN A 79 12.616 0.688 0.580 1.00 1.13 H new ATOM 0 HD21 ASN A 79 11.561 1.551 -3.001 1.00 1.22 H new ATOM 0 HD22 ASN A 79 11.494 2.482 -1.501 1.00 1.22 H new ATOM 1208 N ASN A 80 14.137 4.046 2.008 1.00 0.64 N ATOM 1209 CA ASN A 80 14.597 4.364 3.329 1.00 0.59 C ATOM 1210 C ASN A 80 13.990 5.706 3.730 1.00 0.56 C ATOM 1211 O ASN A 80 14.695 6.704 3.896 1.00 0.88 O ATOM 1212 CB ASN A 80 16.127 4.459 3.295 1.00 0.72 C ATOM 1213 CG ASN A 80 16.778 4.507 4.657 1.00 1.05 C ATOM 1214 OD1 ASN A 80 16.308 3.892 5.622 1.00 1.96 O ATOM 1215 ND2 ASN A 80 17.844 5.251 4.756 1.00 1.43 N ATOM 0 H ASN A 80 14.306 4.783 1.323 1.00 0.64 H new ATOM 0 HA ASN A 80 14.301 3.602 4.050 1.00 0.59 H new ATOM 0 HB2 ASN A 80 16.520 3.603 2.747 1.00 0.72 H new ATOM 0 HB3 ASN A 80 16.411 5.352 2.738 1.00 0.72 H new ATOM 0 HD21 ASN A 80 18.321 5.342 5.653 1.00 1.43 H new ATOM 0 HD22 ASN A 80 18.201 5.743 3.937 1.00 1.43 H new ATOM 1222 N GLY A 81 12.683 5.735 3.857 1.00 0.46 N ATOM 1223 CA GLY A 81 12.004 6.970 4.163 1.00 0.49 C ATOM 1224 C GLY A 81 10.573 6.747 4.571 1.00 0.43 C ATOM 1225 O GLY A 81 10.201 5.637 4.976 1.00 0.40 O ATOM 0 H GLY A 81 12.074 4.923 3.754 1.00 0.46 H new ATOM 0 HA2 GLY A 81 12.533 7.484 4.966 1.00 0.49 H new ATOM 0 HA3 GLY A 81 12.034 7.624 3.292 1.00 0.49 H new ATOM 1229 N ASN A 82 9.767 7.775 4.447 1.00 0.45 N ATOM 1230 CA ASN A 82 8.378 7.723 4.869 1.00 0.44 C ATOM 1231 C ASN A 82 7.486 7.412 3.698 1.00 0.37 C ATOM 1232 O ASN A 82 7.592 8.055 2.652 1.00 0.46 O ATOM 1233 CB ASN A 82 7.929 9.064 5.476 1.00 0.56 C ATOM 1234 CG ASN A 82 8.705 9.465 6.707 1.00 1.27 C ATOM 1235 OD1 ASN A 82 8.334 9.118 7.834 1.00 2.23 O ATOM 1236 ND2 ASN A 82 9.769 10.214 6.517 1.00 1.65 N ATOM 0 H ASN A 82 10.050 8.672 4.052 1.00 0.45 H new ATOM 0 HA ASN A 82 8.298 6.940 5.623 1.00 0.44 H new ATOM 0 HB2 ASN A 82 8.031 9.845 4.723 1.00 0.56 H new ATOM 0 HB3 ASN A 82 6.871 9.001 5.729 1.00 0.56 H new ATOM 0 HD21 ASN A 82 10.320 10.529 7.315 1.00 1.65 H new ATOM 0 HD22 ASN A 82 10.043 10.480 5.571 1.00 1.65 H new ATOM 1243 N TYR A 83 6.631 6.432 3.856 1.00 0.29 N ATOM 1244 CA TYR A 83 5.667 6.094 2.843 1.00 0.27 C ATOM 1245 C TYR A 83 4.256 6.310 3.361 1.00 0.28 C ATOM 1246 O TYR A 83 3.840 5.697 4.345 1.00 0.47 O ATOM 1247 CB TYR A 83 5.846 4.657 2.334 1.00 0.34 C ATOM 1248 CG TYR A 83 7.129 4.428 1.561 1.00 0.38 C ATOM 1249 CD1 TYR A 83 7.382 5.131 0.395 1.00 0.60 C ATOM 1250 CD2 TYR A 83 8.071 3.498 1.982 1.00 0.49 C ATOM 1251 CE1 TYR A 83 8.533 4.921 -0.332 1.00 0.69 C ATOM 1252 CE2 TYR A 83 9.233 3.286 1.256 1.00 0.55 C ATOM 1253 CZ TYR A 83 9.454 4.005 0.099 1.00 0.60 C ATOM 1254 OH TYR A 83 10.593 3.792 -0.643 1.00 0.69 O ATOM 0 H TYR A 83 6.585 5.848 4.691 1.00 0.29 H new ATOM 0 HA TYR A 83 5.836 6.758 1.995 1.00 0.27 H new ATOM 0 HB2 TYR A 83 5.821 3.976 3.185 1.00 0.34 H new ATOM 0 HB3 TYR A 83 5.000 4.401 1.696 1.00 0.34 H new ATOM 0 HD1 TYR A 83 6.663 5.858 0.049 1.00 0.60 H new ATOM 0 HD2 TYR A 83 7.896 2.933 2.886 1.00 0.49 H new ATOM 0 HE1 TYR A 83 8.708 5.478 -1.240 1.00 0.69 H new ATOM 0 HE2 TYR A 83 9.961 2.563 1.594 1.00 0.55 H new ATOM 0 HH TYR A 83 11.192 4.562 -0.551 1.00 0.69 H new ATOM 1264 N THR A 84 3.552 7.193 2.737 1.00 0.22 N ATOM 1265 CA THR A 84 2.196 7.480 3.112 1.00 0.23 C ATOM 1266 C THR A 84 1.249 6.762 2.159 1.00 0.22 C ATOM 1267 O THR A 84 1.483 6.736 0.951 1.00 0.26 O ATOM 1268 CB THR A 84 1.936 8.995 3.048 1.00 0.27 C ATOM 1269 OG1 THR A 84 2.992 9.682 3.731 1.00 0.34 O ATOM 1270 CG2 THR A 84 0.604 9.360 3.702 1.00 0.33 C ATOM 0 H THR A 84 3.896 7.742 1.949 1.00 0.22 H new ATOM 0 HA THR A 84 2.027 7.135 4.132 1.00 0.23 H new ATOM 0 HB THR A 84 1.898 9.290 1.999 1.00 0.27 H new ATOM 0 HG1 THR A 84 2.833 10.648 3.692 1.00 0.34 H new ATOM 0 HG21 THR A 84 0.451 10.437 3.640 1.00 0.33 H new ATOM 0 HG22 THR A 84 -0.208 8.848 3.185 1.00 0.33 H new ATOM 0 HG23 THR A 84 0.617 9.055 4.749 1.00 0.33 H new ATOM 1278 N LEU A 85 0.226 6.157 2.697 1.00 0.20 N ATOM 1279 CA LEU A 85 -0.768 5.511 1.894 1.00 0.19 C ATOM 1280 C LEU A 85 -2.002 6.382 1.835 1.00 0.18 C ATOM 1281 O LEU A 85 -2.640 6.654 2.864 1.00 0.19 O ATOM 1282 CB LEU A 85 -1.104 4.115 2.435 1.00 0.20 C ATOM 1283 CG LEU A 85 -2.142 3.313 1.650 1.00 0.20 C ATOM 1284 CD1 LEU A 85 -1.709 3.153 0.227 1.00 0.21 C ATOM 1285 CD2 LEU A 85 -2.341 1.951 2.265 1.00 0.22 C ATOM 0 H LEU A 85 0.061 6.099 3.702 1.00 0.20 H new ATOM 0 HA LEU A 85 -0.375 5.375 0.886 1.00 0.19 H new ATOM 0 HB2 LEU A 85 -0.183 3.534 2.476 1.00 0.20 H new ATOM 0 HB3 LEU A 85 -1.459 4.222 3.460 1.00 0.20 H new ATOM 0 HG LEU A 85 -3.084 3.860 1.684 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -2.458 2.580 -0.319 1.00 0.21 H new ATOM 0 HD12 LEU A 85 -1.598 4.135 -0.232 1.00 0.21 H new ATOM 0 HD13 LEU A 85 -0.755 2.627 0.194 1.00 0.21 H new ATOM 0 HD21 LEU A 85 -3.084 1.397 1.691 1.00 0.22 H new ATOM 0 HD22 LEU A 85 -1.397 1.407 2.257 1.00 0.22 H new ATOM 0 HD23 LEU A 85 -2.687 2.063 3.293 1.00 0.22 H new ATOM 1297 N LEU A 86 -2.282 6.862 0.659 1.00 0.20 N ATOM 1298 CA LEU A 86 -3.432 7.676 0.386 1.00 0.22 C ATOM 1299 C LEU A 86 -4.490 6.799 -0.254 1.00 0.22 C ATOM 1300 O LEU A 86 -4.265 6.253 -1.329 1.00 0.27 O ATOM 1301 CB LEU A 86 -3.092 8.824 -0.615 1.00 0.28 C ATOM 1302 CG LEU A 86 -2.111 9.952 -0.196 1.00 0.32 C ATOM 1303 CD1 LEU A 86 -2.571 10.655 1.053 1.00 0.36 C ATOM 1304 CD2 LEU A 86 -0.679 9.463 -0.050 1.00 0.32 C ATOM 0 H LEU A 86 -1.700 6.693 -0.161 1.00 0.20 H new ATOM 0 HA LEU A 86 -3.776 8.116 1.322 1.00 0.22 H new ATOM 0 HB2 LEU A 86 -2.688 8.361 -1.515 1.00 0.28 H new ATOM 0 HB3 LEU A 86 -4.032 9.299 -0.895 1.00 0.28 H new ATOM 0 HG LEU A 86 -2.117 10.675 -1.012 1.00 0.32 H new ATOM 0 HD11 LEU A 86 -1.858 11.437 1.314 1.00 0.36 H new ATOM 0 HD12 LEU A 86 -3.551 11.100 0.880 1.00 0.36 H new ATOM 0 HD13 LEU A 86 -2.637 9.938 1.871 1.00 0.36 H new ATOM 0 HD21 LEU A 86 -0.039 10.295 0.244 1.00 0.32 H new ATOM 0 HD22 LEU A 86 -0.636 8.685 0.712 1.00 0.32 H new ATOM 0 HD23 LEU A 86 -0.334 9.058 -1.001 1.00 0.32 H new ATOM 1316 N ALA A 87 -5.602 6.635 0.399 1.00 0.21 N ATOM 1317 CA ALA A 87 -6.699 5.879 -0.171 1.00 0.23 C ATOM 1318 C ALA A 87 -7.835 6.826 -0.415 1.00 0.29 C ATOM 1319 O ALA A 87 -8.313 7.463 0.520 1.00 0.31 O ATOM 1320 CB ALA A 87 -7.134 4.776 0.772 1.00 0.24 C ATOM 0 H ALA A 87 -5.782 7.012 1.329 1.00 0.21 H new ATOM 0 HA ALA A 87 -6.384 5.413 -1.105 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -7.959 4.220 0.326 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -6.297 4.101 0.953 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -7.460 5.212 1.716 1.00 0.24 H new ATOM 1326 N ALA A 88 -8.264 6.933 -1.642 1.00 0.36 N ATOM 1327 CA ALA A 88 -9.311 7.874 -1.984 1.00 0.45 C ATOM 1328 C ALA A 88 -10.464 7.192 -2.678 1.00 0.37 C ATOM 1329 O ALA A 88 -10.263 6.433 -3.627 1.00 0.37 O ATOM 1330 CB ALA A 88 -8.757 8.984 -2.868 1.00 0.61 C ATOM 0 H ALA A 88 -7.910 6.384 -2.425 1.00 0.36 H new ATOM 0 HA ALA A 88 -9.683 8.305 -1.055 1.00 0.45 H new ATOM 0 HB1 ALA A 88 -9.555 9.683 -3.117 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -7.965 9.511 -2.336 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -8.354 8.552 -3.784 1.00 0.61 H new ATOM 1336 N ASN A 89 -11.652 7.444 -2.193 1.00 0.49 N ATOM 1337 CA ASN A 89 -12.884 6.950 -2.794 1.00 0.58 C ATOM 1338 C ASN A 89 -13.928 8.071 -2.685 1.00 0.57 C ATOM 1339 O ASN A 89 -13.593 9.104 -2.101 1.00 0.55 O ATOM 1340 CB ASN A 89 -13.373 5.589 -2.161 1.00 0.86 C ATOM 1341 CG ASN A 89 -13.710 5.600 -0.670 1.00 0.59 C ATOM 1342 OD1 ASN A 89 -14.047 6.626 -0.078 1.00 0.71 O ATOM 1343 ND2 ASN A 89 -13.706 4.427 -0.077 1.00 1.18 N ATOM 0 H ASN A 89 -11.803 8.007 -1.356 1.00 0.49 H new ATOM 0 HA ASN A 89 -12.713 6.705 -3.842 1.00 0.58 H new ATOM 0 HB2 ASN A 89 -14.258 5.260 -2.706 1.00 0.86 H new ATOM 0 HB3 ASN A 89 -12.599 4.840 -2.328 1.00 0.86 H new ATOM 0 HD21 ASN A 89 -13.987 4.349 0.900 1.00 1.18 H new ATOM 0 HD22 ASN A 89 -13.422 3.595 -0.594 1.00 1.18 H new ATOM 1350 N PRO A 90 -15.171 7.945 -3.251 1.00 0.64 N ATOM 1351 CA PRO A 90 -16.204 9.024 -3.188 1.00 0.68 C ATOM 1352 C PRO A 90 -16.412 9.652 -1.786 1.00 0.56 C ATOM 1353 O PRO A 90 -16.752 10.842 -1.667 1.00 0.63 O ATOM 1354 CB PRO A 90 -17.468 8.298 -3.636 1.00 0.81 C ATOM 1355 CG PRO A 90 -16.976 7.305 -4.619 1.00 1.00 C ATOM 1356 CD PRO A 90 -15.678 6.797 -4.065 1.00 0.74 C ATOM 0 HA PRO A 90 -15.911 9.877 -3.800 1.00 0.68 H new ATOM 0 HB2 PRO A 90 -17.971 7.816 -2.798 1.00 0.81 H new ATOM 0 HB3 PRO A 90 -18.185 8.984 -4.086 1.00 0.81 H new ATOM 0 HG2 PRO A 90 -17.692 6.493 -4.748 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -16.832 7.761 -5.598 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -15.824 5.906 -3.454 1.00 0.74 H new ATOM 0 HD3 PRO A 90 -14.981 6.529 -4.859 1.00 0.74 H new ATOM 1364 N CYS A 91 -16.186 8.871 -0.744 1.00 0.50 N ATOM 1365 CA CYS A 91 -16.378 9.333 0.626 1.00 0.50 C ATOM 1366 C CYS A 91 -15.303 10.332 1.042 1.00 0.46 C ATOM 1367 O CYS A 91 -15.586 11.332 1.712 1.00 0.61 O ATOM 1368 CB CYS A 91 -16.319 8.166 1.584 1.00 0.61 C ATOM 1369 SG CYS A 91 -17.565 6.880 1.346 1.00 1.10 S ATOM 0 H CYS A 91 -15.867 7.905 -0.819 1.00 0.50 H new ATOM 0 HA CYS A 91 -17.354 9.817 0.662 1.00 0.50 H new ATOM 0 HB2 CYS A 91 -15.333 7.707 1.506 1.00 0.61 H new ATOM 0 HB3 CYS A 91 -16.412 8.551 2.600 1.00 0.61 H new ATOM 1374 N GLY A 92 -14.081 10.063 0.663 1.00 0.46 N ATOM 1375 CA GLY A 92 -12.996 10.899 1.064 1.00 0.58 C ATOM 1376 C GLY A 92 -11.685 10.206 0.873 1.00 0.49 C ATOM 1377 O GLY A 92 -11.612 9.188 0.162 1.00 0.59 O ATOM 0 H GLY A 92 -13.819 9.270 0.077 1.00 0.46 H new ATOM 0 HA2 GLY A 92 -13.011 11.822 0.485 1.00 0.58 H new ATOM 0 HA3 GLY A 92 -13.115 11.177 2.111 1.00 0.58 H new ATOM 1381 N GLN A 93 -10.667 10.710 1.511 1.00 0.46 N ATOM 1382 CA GLN A 93 -9.344 10.175 1.375 1.00 0.42 C ATOM 1383 C GLN A 93 -8.718 9.994 2.745 1.00 0.41 C ATOM 1384 O GLN A 93 -8.767 10.897 3.585 1.00 0.56 O ATOM 1385 CB GLN A 93 -8.497 11.114 0.524 1.00 0.53 C ATOM 1386 CG GLN A 93 -7.106 10.600 0.181 1.00 0.58 C ATOM 1387 CD GLN A 93 -6.328 11.606 -0.628 1.00 0.92 C ATOM 1388 OE1 GLN A 93 -5.492 11.145 -1.515 1.00 1.57 O flip ATOM 1389 NE2 GLN A 93 -6.517 12.807 -0.471 1.00 1.33 N flip ATOM 0 H GLN A 93 -10.733 11.508 2.143 1.00 0.46 H new ATOM 0 HA GLN A 93 -9.395 9.203 0.884 1.00 0.42 H new ATOM 0 HB2 GLN A 93 -9.031 11.318 -0.404 1.00 0.53 H new ATOM 0 HB3 GLN A 93 -8.397 12.064 1.049 1.00 0.53 H new ATOM 0 HG2 GLN A 93 -6.564 10.373 1.099 1.00 0.58 H new ATOM 0 HG3 GLN A 93 -7.189 9.668 -0.378 1.00 0.58 H new ATOM 0 HE21 GLN A 93 -7.180 13.131 0.234 1.00 1.33 H new ATOM 0 HE22 GLN A 93 -6.012 13.482 -1.045 1.00 1.33 H new ATOM 1398 N ALA A 94 -8.166 8.836 2.968 1.00 0.30 N ATOM 1399 CA ALA A 94 -7.491 8.517 4.201 1.00 0.33 C ATOM 1400 C ALA A 94 -6.008 8.468 3.942 1.00 0.31 C ATOM 1401 O ALA A 94 -5.583 8.142 2.824 1.00 0.30 O ATOM 1402 CB ALA A 94 -7.960 7.178 4.722 1.00 0.37 C ATOM 0 H ALA A 94 -8.170 8.073 2.291 1.00 0.30 H new ATOM 0 HA ALA A 94 -7.716 9.279 4.947 1.00 0.33 H new ATOM 0 HB1 ALA A 94 -7.443 6.949 5.654 1.00 0.37 H new ATOM 0 HB2 ALA A 94 -9.034 7.214 4.903 1.00 0.37 H new ATOM 0 HB3 ALA A 94 -7.742 6.404 3.986 1.00 0.37 H new ATOM 1408 N SER A 95 -5.223 8.790 4.943 1.00 0.36 N ATOM 1409 CA SER A 95 -3.796 8.782 4.800 1.00 0.37 C ATOM 1410 C SER A 95 -3.098 8.284 6.072 1.00 0.38 C ATOM 1411 O SER A 95 -3.281 8.850 7.158 1.00 0.57 O ATOM 1412 CB SER A 95 -3.314 10.178 4.395 1.00 0.43 C ATOM 1413 OG SER A 95 -3.838 11.186 5.257 1.00 0.50 O ATOM 0 H SER A 95 -5.556 9.061 5.868 1.00 0.36 H new ATOM 0 HA SER A 95 -3.529 8.079 4.011 1.00 0.37 H new ATOM 0 HB2 SER A 95 -2.225 10.208 4.419 1.00 0.43 H new ATOM 0 HB3 SER A 95 -3.616 10.384 3.368 1.00 0.43 H new ATOM 0 HG SER A 95 -3.987 10.808 6.149 1.00 0.50 H new ATOM 1419 N ALA A 96 -2.342 7.225 5.934 1.00 0.27 N ATOM 1420 CA ALA A 96 -1.568 6.659 7.029 1.00 0.27 C ATOM 1421 C ALA A 96 -0.109 6.667 6.610 1.00 0.23 C ATOM 1422 O ALA A 96 0.174 6.527 5.422 1.00 0.26 O ATOM 1423 CB ALA A 96 -2.038 5.238 7.332 1.00 0.30 C ATOM 0 H ALA A 96 -2.240 6.721 5.053 1.00 0.27 H new ATOM 0 HA ALA A 96 -1.701 7.246 7.938 1.00 0.27 H new ATOM 0 HB1 ALA A 96 -1.450 4.828 8.153 1.00 0.30 H new ATOM 0 HB2 ALA A 96 -3.091 5.255 7.613 1.00 0.30 H new ATOM 0 HB3 ALA A 96 -1.909 4.615 6.447 1.00 0.30 H new ATOM 1429 N SER A 97 0.796 6.829 7.540 1.00 0.26 N ATOM 1430 CA SER A 97 2.202 6.955 7.210 1.00 0.28 C ATOM 1431 C SER A 97 3.021 5.819 7.834 1.00 0.25 C ATOM 1432 O SER A 97 2.993 5.614 9.051 1.00 0.38 O ATOM 1433 CB SER A 97 2.705 8.302 7.725 1.00 0.41 C ATOM 1434 OG SER A 97 1.785 9.342 7.390 1.00 1.26 O ATOM 0 H SER A 97 0.589 6.878 8.538 1.00 0.26 H new ATOM 0 HA SER A 97 2.320 6.895 6.128 1.00 0.28 H new ATOM 0 HB2 SER A 97 2.836 8.259 8.806 1.00 0.41 H new ATOM 0 HB3 SER A 97 3.682 8.520 7.294 1.00 0.41 H new ATOM 0 HG SER A 97 2.121 10.198 7.729 1.00 1.26 H new ATOM 1440 N ILE A 98 3.736 5.098 7.014 1.00 0.25 N ATOM 1441 CA ILE A 98 4.580 4.019 7.466 1.00 0.28 C ATOM 1442 C ILE A 98 6.030 4.356 7.078 1.00 0.28 C ATOM 1443 O ILE A 98 6.336 4.608 5.918 1.00 0.30 O ATOM 1444 CB ILE A 98 4.069 2.622 6.888 1.00 0.36 C ATOM 1445 CG1 ILE A 98 4.829 1.378 7.449 1.00 0.72 C ATOM 1446 CG2 ILE A 98 4.044 2.598 5.362 1.00 0.39 C ATOM 1447 CD1 ILE A 98 6.238 1.144 6.917 1.00 0.37 C ATOM 0 H ILE A 98 3.751 5.242 6.004 1.00 0.25 H new ATOM 0 HA ILE A 98 4.536 3.912 8.550 1.00 0.28 H new ATOM 0 HB ILE A 98 3.044 2.540 7.249 1.00 0.36 H new ATOM 0 HG12 ILE A 98 4.885 1.473 8.533 1.00 0.72 H new ATOM 0 HG13 ILE A 98 4.233 0.490 7.238 1.00 0.72 H new ATOM 0 HG21 ILE A 98 3.689 1.626 5.019 1.00 0.39 H new ATOM 0 HG22 ILE A 98 3.376 3.378 4.997 1.00 0.39 H new ATOM 0 HG23 ILE A 98 5.049 2.773 4.979 1.00 0.39 H new ATOM 0 HD11 ILE A 98 6.659 0.252 7.382 1.00 0.37 H new ATOM 0 HD12 ILE A 98 6.201 1.007 5.836 1.00 0.37 H new ATOM 0 HD13 ILE A 98 6.863 2.005 7.152 1.00 0.37 H new ATOM 1459 N MET A 99 6.890 4.450 8.055 1.00 0.34 N ATOM 1460 CA MET A 99 8.277 4.772 7.801 1.00 0.41 C ATOM 1461 C MET A 99 9.058 3.463 7.673 1.00 0.40 C ATOM 1462 O MET A 99 8.940 2.573 8.532 1.00 0.51 O ATOM 1463 CB MET A 99 8.823 5.662 8.942 1.00 0.59 C ATOM 1464 CG MET A 99 10.108 6.430 8.628 1.00 0.85 C ATOM 1465 SD MET A 99 11.570 5.404 8.395 1.00 1.25 S ATOM 1466 CE MET A 99 12.745 6.656 7.897 1.00 1.18 C ATOM 0 H MET A 99 6.659 4.309 9.038 1.00 0.34 H new ATOM 0 HA MET A 99 8.384 5.334 6.873 1.00 0.41 H new ATOM 0 HB2 MET A 99 8.051 6.380 9.219 1.00 0.59 H new ATOM 0 HB3 MET A 99 9.001 5.033 9.814 1.00 0.59 H new ATOM 0 HG2 MET A 99 9.949 7.020 7.726 1.00 0.85 H new ATOM 0 HG3 MET A 99 10.301 7.133 9.439 1.00 0.85 H new ATOM 0 HE1 MET A 99 13.545 6.195 7.318 1.00 1.18 H new ATOM 0 HE2 MET A 99 12.241 7.406 7.287 1.00 1.18 H new ATOM 0 HE3 MET A 99 13.166 7.132 8.782 1.00 1.18 H new ATOM 1476 N ALA A 100 9.812 3.330 6.610 1.00 0.42 N ATOM 1477 CA ALA A 100 10.559 2.122 6.354 1.00 0.48 C ATOM 1478 C ALA A 100 12.051 2.385 6.457 1.00 0.48 C ATOM 1479 O ALA A 100 12.607 3.185 5.699 1.00 0.57 O ATOM 1480 CB ALA A 100 10.200 1.557 4.985 1.00 0.58 C ATOM 0 H ALA A 100 9.926 4.053 5.900 1.00 0.42 H new ATOM 0 HA ALA A 100 10.294 1.382 7.109 1.00 0.48 H new ATOM 0 HB1 ALA A 100 10.771 0.646 4.806 1.00 0.58 H new ATOM 0 HB2 ALA A 100 9.135 1.329 4.953 1.00 0.58 H new ATOM 0 HB3 ALA A 100 10.437 2.291 4.215 1.00 0.58 H new ATOM 1486 N ALA A 101 12.687 1.737 7.407 1.00 0.56 N ATOM 1487 CA ALA A 101 14.106 1.876 7.609 1.00 0.65 C ATOM 1488 C ALA A 101 14.827 0.716 6.943 1.00 0.66 C ATOM 1489 O ALA A 101 14.847 -0.409 7.456 1.00 0.77 O ATOM 1490 CB ALA A 101 14.421 1.928 9.096 1.00 0.84 C ATOM 0 H ALA A 101 12.232 1.099 8.060 1.00 0.56 H new ATOM 0 HA ALA A 101 14.449 2.808 7.159 1.00 0.65 H new ATOM 0 HB1 ALA A 101 15.497 2.033 9.237 1.00 0.84 H new ATOM 0 HB2 ALA A 101 13.911 2.780 9.546 1.00 0.84 H new ATOM 0 HB3 ALA A 101 14.081 1.008 9.572 1.00 0.84 H new ATOM 1496 N PHE A 102 15.375 0.988 5.792 1.00 0.75 N ATOM 1497 CA PHE A 102 16.086 -0.009 5.016 1.00 0.87 C ATOM 1498 C PHE A 102 17.543 -0.200 5.492 1.00 1.20 C ATOM 1499 O PHE A 102 17.896 -1.249 6.037 1.00 2.05 O ATOM 1500 CB PHE A 102 16.013 0.335 3.511 1.00 0.97 C ATOM 1501 CG PHE A 102 16.827 -0.559 2.610 1.00 1.69 C ATOM 1502 CD1 PHE A 102 16.732 -1.935 2.724 1.00 2.20 C ATOM 1503 CD2 PHE A 102 17.667 -0.029 1.646 1.00 2.45 C ATOM 1504 CE1 PHE A 102 17.459 -2.763 1.899 1.00 3.25 C ATOM 1505 CE2 PHE A 102 18.395 -0.853 0.819 1.00 3.51 C ATOM 1506 CZ PHE A 102 18.356 -2.179 0.965 1.00 3.86 C ATOM 0 H PHE A 102 15.345 1.910 5.357 1.00 0.75 H new ATOM 0 HA PHE A 102 15.592 -0.967 5.175 1.00 0.87 H new ATOM 0 HB2 PHE A 102 14.971 0.292 3.194 1.00 0.97 H new ATOM 0 HB3 PHE A 102 16.346 1.364 3.373 1.00 0.97 H new ATOM 0 HD1 PHE A 102 16.079 -2.364 3.470 1.00 2.20 H new ATOM 0 HD2 PHE A 102 17.752 1.043 1.542 1.00 2.45 H new ATOM 0 HE1 PHE A 102 17.350 -3.836 1.961 1.00 3.25 H new ATOM 0 HE2 PHE A 102 19.007 -0.421 0.041 1.00 3.51 H new ATOM 0 HZ PHE A 102 19.006 -2.807 0.374 1.00 3.86 H new