USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=19 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 76 THR OG1 : rot -170:sc= 0.909 USER MOD Set 1.2: A 79 ASN : amide:sc= 0.53 K(o=1.4,f=0.15) USER MOD Set 2.1: A 22 HIS : no HE2:sc= 1.27 K(o=1.3,f=-4.2!) USER MOD Set 2.2: A 73 ASN : amide:sc= 0 X(o=1.3,f=1.1) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) 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= 0.00946 USER MOD Single : A 20 MET CE :methyl -173:sc= 0 (180deg=-0.0922) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0142 X(o=-0.014,f=-0.078) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.992 K(o=0.99,f=-6.4!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.514 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 80:sc= 1.56 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 64:sc= 1.25 USER MOD Single : A 67 HIS : no HD1:sc= 0.82 K(o=0.82,f=-4.7!) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.226 F(o=-0.99,f=-0.23) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.381 K(o=-0.38,f=-2.9!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 83 TYR OH : rot -114:sc= -2.04! USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -1.98 X(o=-2,f=-2.3!) USER MOD Single : A 93 GLN : amide:sc= -0.503 X(o=-0.5,f=-0.85) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -172:sc= 0 (180deg=-0.121) USER MOD ----------------------------------------------------------------- ATOM 79 N SER A 7 -22.575 1.547 2.463 1.00 1.06 N ATOM 80 CA SER A 7 -21.522 2.440 2.126 1.00 0.91 C ATOM 81 C SER A 7 -20.475 2.401 3.210 1.00 0.81 C ATOM 82 O SER A 7 -20.639 2.997 4.266 1.00 0.91 O ATOM 83 CB SER A 7 -22.076 3.866 1.972 1.00 1.01 C ATOM 84 OG SER A 7 -21.077 4.785 1.540 1.00 1.58 O ATOM 0 HA SER A 7 -21.073 2.138 1.180 1.00 0.91 H new ATOM 0 HB2 SER A 7 -22.897 3.860 1.255 1.00 1.01 H new ATOM 0 HB3 SER A 7 -22.487 4.200 2.925 1.00 1.01 H new ATOM 0 HG SER A 7 -21.470 5.679 1.453 1.00 1.58 H new ATOM 90 N PHE A 8 -19.435 1.670 2.974 1.00 0.75 N ATOM 91 CA PHE A 8 -18.340 1.652 3.889 1.00 0.70 C ATOM 92 C PHE A 8 -17.261 2.509 3.311 1.00 0.53 C ATOM 93 O PHE A 8 -16.824 2.296 2.182 1.00 0.54 O ATOM 94 CB PHE A 8 -17.846 0.227 4.166 1.00 0.85 C ATOM 95 CG PHE A 8 -18.916 -0.670 4.729 1.00 0.77 C ATOM 96 CD1 PHE A 8 -19.329 -1.787 4.041 1.00 0.88 C ATOM 97 CD2 PHE A 8 -19.522 -0.373 5.933 1.00 1.01 C ATOM 98 CE1 PHE A 8 -20.322 -2.601 4.540 1.00 0.85 C ATOM 99 CE2 PHE A 8 -20.513 -1.182 6.440 1.00 1.19 C ATOM 100 CZ PHE A 8 -20.917 -2.298 5.741 1.00 0.96 C ATOM 0 H PHE A 8 -19.320 1.076 2.153 1.00 0.75 H new ATOM 0 HA PHE A 8 -18.656 2.044 4.856 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -17.467 -0.206 3.240 1.00 0.85 H new ATOM 0 HB3 PHE A 8 -17.010 0.268 4.864 1.00 0.85 H new ATOM 0 HD1 PHE A 8 -18.868 -2.030 3.095 1.00 0.88 H new ATOM 0 HD2 PHE A 8 -19.215 0.504 6.483 1.00 1.01 H new ATOM 0 HE1 PHE A 8 -20.632 -3.476 3.988 1.00 0.85 H new ATOM 0 HE2 PHE A 8 -20.974 -0.942 7.387 1.00 1.19 H new ATOM 0 HZ PHE A 8 -21.698 -2.932 6.135 1.00 0.96 H new ATOM 110 N CYS A 9 -16.872 3.482 4.043 1.00 0.49 N ATOM 111 CA CYS A 9 -15.908 4.435 3.601 1.00 0.44 C ATOM 112 C CYS A 9 -14.507 3.898 3.841 1.00 0.37 C ATOM 113 O CYS A 9 -14.351 2.808 4.382 1.00 0.40 O ATOM 114 CB CYS A 9 -16.177 5.751 4.307 1.00 0.62 C ATOM 115 SG CYS A 9 -17.839 6.404 3.928 1.00 1.32 S ATOM 0 H CYS A 9 -17.217 3.649 4.988 1.00 0.49 H new ATOM 0 HA CYS A 9 -15.987 4.613 2.528 1.00 0.44 H new ATOM 0 HB2 CYS A 9 -16.079 5.611 5.384 1.00 0.62 H new ATOM 0 HB3 CYS A 9 -15.424 6.482 4.011 1.00 0.62 H new ATOM 120 N ALA A 10 -13.497 4.661 3.504 1.00 0.35 N ATOM 121 CA ALA A 10 -12.173 4.107 3.469 1.00 0.35 C ATOM 122 C ALA A 10 -11.439 4.307 4.754 1.00 0.29 C ATOM 123 O ALA A 10 -11.391 5.413 5.311 1.00 0.34 O ATOM 124 CB ALA A 10 -11.369 4.696 2.327 1.00 0.45 C ATOM 0 H ALA A 10 -13.566 5.648 3.255 1.00 0.35 H new ATOM 0 HA ALA A 10 -12.291 3.035 3.314 1.00 0.35 H new ATOM 0 HB1 ALA A 10 -10.370 4.260 2.322 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -11.865 4.476 1.382 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -11.293 5.776 2.455 1.00 0.45 H new ATOM 130 N SER A 11 -10.923 3.227 5.241 1.00 0.27 N ATOM 131 CA SER A 11 -10.102 3.209 6.406 1.00 0.27 C ATOM 132 C SER A 11 -8.764 2.609 5.993 1.00 0.23 C ATOM 133 O SER A 11 -8.737 1.541 5.376 1.00 0.25 O ATOM 134 CB SER A 11 -10.765 2.355 7.487 1.00 0.37 C ATOM 135 OG SER A 11 -12.136 2.731 7.664 1.00 1.19 O ATOM 0 H SER A 11 -11.065 2.306 4.827 1.00 0.27 H new ATOM 0 HA SER A 11 -9.962 4.211 6.812 1.00 0.27 H new ATOM 0 HB2 SER A 11 -10.705 1.302 7.212 1.00 0.37 H new ATOM 0 HB3 SER A 11 -10.227 2.470 8.428 1.00 0.37 H new ATOM 0 HG SER A 11 -12.542 2.171 8.359 1.00 1.19 H new ATOM 141 N VAL A 12 -7.683 3.280 6.296 1.00 0.23 N ATOM 142 CA VAL A 12 -6.373 2.838 5.871 1.00 0.22 C ATOM 143 C VAL A 12 -5.524 2.473 7.068 1.00 0.24 C ATOM 144 O VAL A 12 -5.295 3.295 7.951 1.00 0.29 O ATOM 145 CB VAL A 12 -5.650 3.944 5.047 1.00 0.23 C ATOM 146 CG1 VAL A 12 -4.272 3.509 4.634 1.00 0.24 C ATOM 147 CG2 VAL A 12 -6.428 4.273 3.815 1.00 0.27 C ATOM 0 H VAL A 12 -7.681 4.143 6.840 1.00 0.23 H new ATOM 0 HA VAL A 12 -6.509 1.960 5.240 1.00 0.22 H new ATOM 0 HB VAL A 12 -5.573 4.821 5.689 1.00 0.23 H new ATOM 0 HG11 VAL A 12 -3.796 4.304 4.061 1.00 0.24 H new ATOM 0 HG12 VAL A 12 -3.677 3.295 5.522 1.00 0.24 H new ATOM 0 HG13 VAL A 12 -4.343 2.611 4.020 1.00 0.24 H new ATOM 0 HG21 VAL A 12 -5.907 5.048 3.252 1.00 0.27 H new ATOM 0 HG22 VAL A 12 -6.527 3.380 3.198 1.00 0.27 H new ATOM 0 HG23 VAL A 12 -7.418 4.632 4.095 1.00 0.27 H new ATOM 157 N GLN A 13 -5.098 1.235 7.109 1.00 0.24 N ATOM 158 CA GLN A 13 -4.228 0.768 8.143 1.00 0.29 C ATOM 159 C GLN A 13 -2.935 0.281 7.540 1.00 0.26 C ATOM 160 O GLN A 13 -2.938 -0.434 6.522 1.00 0.32 O ATOM 161 CB GLN A 13 -4.872 -0.350 8.946 1.00 0.40 C ATOM 162 CG GLN A 13 -6.113 0.057 9.702 1.00 0.68 C ATOM 163 CD GLN A 13 -6.663 -1.084 10.503 1.00 1.43 C ATOM 164 OE1 GLN A 13 -6.290 -1.285 11.664 1.00 2.18 O ATOM 165 NE2 GLN A 13 -7.539 -1.842 9.910 1.00 2.06 N ATOM 0 H GLN A 13 -5.350 0.526 6.421 1.00 0.24 H new ATOM 0 HA GLN A 13 -4.030 1.600 8.819 1.00 0.29 H new ATOM 0 HB2 GLN A 13 -5.125 -1.166 8.270 1.00 0.40 H new ATOM 0 HB3 GLN A 13 -4.141 -0.739 9.655 1.00 0.40 H new ATOM 0 HG2 GLN A 13 -5.880 0.890 10.365 1.00 0.68 H new ATOM 0 HG3 GLN A 13 -6.869 0.409 9.001 1.00 0.68 H new ATOM 0 HE21 GLN A 13 -7.820 -1.642 8.950 1.00 2.06 H new ATOM 0 HE22 GLN A 13 -7.944 -2.636 10.405 1.00 2.06 H new ATOM 174 N LEU A 14 -1.848 0.649 8.154 1.00 0.28 N ATOM 175 CA LEU A 14 -0.535 0.264 7.700 1.00 0.25 C ATOM 176 C LEU A 14 0.217 -0.459 8.784 1.00 0.25 C ATOM 177 O LEU A 14 0.027 -0.203 9.984 1.00 0.33 O ATOM 178 CB LEU A 14 0.261 1.472 7.172 1.00 0.24 C ATOM 179 CG LEU A 14 -0.103 1.934 5.759 1.00 0.24 C ATOM 180 CD1 LEU A 14 0.517 3.270 5.452 1.00 0.23 C ATOM 181 CD2 LEU A 14 0.394 0.928 4.753 1.00 0.25 C ATOM 0 H LEU A 14 -1.844 1.230 8.992 1.00 0.28 H new ATOM 0 HA LEU A 14 -0.663 -0.424 6.865 1.00 0.25 H new ATOM 0 HB2 LEU A 14 0.117 2.307 7.857 1.00 0.24 H new ATOM 0 HB3 LEU A 14 1.322 1.223 7.192 1.00 0.24 H new ATOM 0 HG LEU A 14 -1.188 2.024 5.702 1.00 0.24 H new ATOM 0 HD11 LEU A 14 0.243 3.575 4.442 1.00 0.23 H new ATOM 0 HD12 LEU A 14 0.156 4.011 6.165 1.00 0.23 H new ATOM 0 HD13 LEU A 14 1.602 3.193 5.526 1.00 0.23 H new ATOM 0 HD21 LEU A 14 0.133 1.259 3.748 1.00 0.25 H new ATOM 0 HD22 LEU A 14 1.477 0.836 4.835 1.00 0.25 H new ATOM 0 HD23 LEU A 14 -0.068 -0.040 4.947 1.00 0.25 H new ATOM 193 N HIS A 15 1.066 -1.342 8.371 1.00 0.21 N ATOM 194 CA HIS A 15 1.854 -2.154 9.255 1.00 0.24 C ATOM 195 C HIS A 15 3.277 -2.087 8.798 1.00 0.21 C ATOM 196 O HIS A 15 3.549 -1.950 7.604 1.00 0.22 O ATOM 197 CB HIS A 15 1.359 -3.620 9.246 1.00 0.34 C ATOM 198 CG HIS A 15 0.064 -3.842 9.978 1.00 0.54 C ATOM 199 ND1 HIS A 15 0.007 -4.208 11.300 1.00 0.92 N ATOM 200 CD2 HIS A 15 -1.226 -3.739 9.568 1.00 0.62 C ATOM 201 CE1 HIS A 15 -1.249 -4.321 11.674 1.00 1.03 C ATOM 202 NE2 HIS A 15 -2.019 -4.041 10.645 1.00 0.83 N ATOM 0 H HIS A 15 1.239 -1.528 7.383 1.00 0.21 H new ATOM 0 HA HIS A 15 1.763 -1.783 10.276 1.00 0.24 H new ATOM 0 HB2 HIS A 15 1.238 -3.944 8.212 1.00 0.34 H new ATOM 0 HB3 HIS A 15 2.127 -4.253 9.691 1.00 0.34 H new ATOM 0 HD2 HIS A 15 -1.564 -3.470 8.578 1.00 0.62 H new ATOM 0 HE1 HIS A 15 -1.591 -4.597 12.661 1.00 1.03 H new ATOM 0 HE2 HIS A 15 -3.039 -4.047 10.648 1.00 0.83 H new ATOM 211 N THR A 16 4.163 -2.125 9.751 1.00 0.26 N ATOM 212 CA THR A 16 5.567 -1.985 9.529 1.00 0.29 C ATOM 213 C THR A 16 6.105 -3.158 8.695 1.00 0.25 C ATOM 214 O THR A 16 5.692 -4.313 8.879 1.00 0.27 O ATOM 215 CB THR A 16 6.268 -1.909 10.892 1.00 0.38 C ATOM 216 OG1 THR A 16 5.548 -0.960 11.705 1.00 0.49 O ATOM 217 CG2 THR A 16 7.705 -1.424 10.734 1.00 0.47 C ATOM 0 H THR A 16 3.918 -2.258 10.732 1.00 0.26 H new ATOM 0 HA THR A 16 5.765 -1.073 8.966 1.00 0.29 H new ATOM 0 HB THR A 16 6.283 -2.898 11.349 1.00 0.38 H new ATOM 0 HG1 THR A 16 5.975 -0.893 12.585 1.00 0.49 H new ATOM 0 HG21 THR A 16 8.183 -1.378 11.712 1.00 0.47 H new ATOM 0 HG22 THR A 16 8.254 -2.115 10.094 1.00 0.47 H new ATOM 0 HG23 THR A 16 7.707 -0.432 10.282 1.00 0.47 H new ATOM 225 N ALA A 17 6.999 -2.815 7.763 1.00 0.28 N ATOM 226 CA ALA A 17 7.619 -3.746 6.828 1.00 0.30 C ATOM 227 C ALA A 17 8.252 -4.926 7.539 1.00 0.35 C ATOM 228 O ALA A 17 8.885 -4.766 8.587 1.00 0.40 O ATOM 229 CB ALA A 17 8.671 -3.019 6.001 1.00 0.37 C ATOM 0 H ALA A 17 7.317 -1.854 7.638 1.00 0.28 H new ATOM 0 HA ALA A 17 6.835 -4.133 6.177 1.00 0.30 H new ATOM 0 HB1 ALA A 17 9.132 -3.718 5.303 1.00 0.37 H new ATOM 0 HB2 ALA A 17 8.200 -2.208 5.445 1.00 0.37 H new ATOM 0 HB3 ALA A 17 9.435 -2.609 6.662 1.00 0.37 H new ATOM 235 N VAL A 18 8.088 -6.087 6.968 1.00 0.38 N ATOM 236 CA VAL A 18 8.622 -7.306 7.538 1.00 0.48 C ATOM 237 C VAL A 18 10.014 -7.582 6.967 1.00 0.56 C ATOM 238 O VAL A 18 10.281 -7.314 5.781 1.00 0.52 O ATOM 239 CB VAL A 18 7.668 -8.515 7.305 1.00 0.54 C ATOM 240 CG1 VAL A 18 6.331 -8.276 7.994 1.00 0.57 C ATOM 241 CG2 VAL A 18 7.454 -8.791 5.820 1.00 0.52 C ATOM 0 H VAL A 18 7.581 -6.221 6.093 1.00 0.38 H new ATOM 0 HA VAL A 18 8.706 -7.171 8.616 1.00 0.48 H new ATOM 0 HB VAL A 18 8.143 -9.395 7.739 1.00 0.54 H new ATOM 0 HG11 VAL A 18 5.675 -9.130 7.822 1.00 0.57 H new ATOM 0 HG12 VAL A 18 6.491 -8.151 9.065 1.00 0.57 H new ATOM 0 HG13 VAL A 18 5.869 -7.376 7.589 1.00 0.57 H new ATOM 0 HG21 VAL A 18 6.783 -9.642 5.701 1.00 0.52 H new ATOM 0 HG22 VAL A 18 7.015 -7.913 5.346 1.00 0.52 H new ATOM 0 HG23 VAL A 18 8.411 -9.016 5.350 1.00 0.52 H new ATOM 251 N GLU A 19 10.898 -8.092 7.806 1.00 0.72 N ATOM 252 CA GLU A 19 12.288 -8.273 7.433 1.00 0.84 C ATOM 253 C GLU A 19 12.534 -9.588 6.737 1.00 0.84 C ATOM 254 O GLU A 19 12.439 -10.662 7.344 1.00 0.96 O ATOM 255 CB GLU A 19 13.207 -8.164 8.642 1.00 1.06 C ATOM 256 CG GLU A 19 13.104 -6.853 9.380 1.00 1.72 C ATOM 257 CD GLU A 19 14.110 -6.749 10.484 1.00 2.02 C ATOM 258 OE1 GLU A 19 13.894 -7.330 11.539 1.00 2.52 O ATOM 259 OE2 GLU A 19 15.145 -6.061 10.309 1.00 2.38 O ATOM 0 H GLU A 19 10.675 -8.390 8.756 1.00 0.72 H new ATOM 0 HA GLU A 19 12.516 -7.470 6.732 1.00 0.84 H new ATOM 0 HB2 GLU A 19 12.978 -8.976 9.333 1.00 1.06 H new ATOM 0 HB3 GLU A 19 14.237 -8.304 8.315 1.00 1.06 H new ATOM 0 HG2 GLU A 19 13.249 -6.031 8.679 1.00 1.72 H new ATOM 0 HG3 GLU A 19 12.101 -6.747 9.793 1.00 1.72 H new ATOM 266 N MET A 20 12.847 -9.497 5.479 1.00 0.79 N ATOM 267 CA MET A 20 13.212 -10.623 4.663 1.00 0.84 C ATOM 268 C MET A 20 13.915 -10.110 3.424 1.00 0.81 C ATOM 269 O MET A 20 14.181 -8.904 3.350 1.00 0.84 O ATOM 270 CB MET A 20 12.015 -11.541 4.329 1.00 0.88 C ATOM 271 CG MET A 20 10.832 -10.857 3.683 1.00 0.88 C ATOM 272 SD MET A 20 9.539 -12.033 3.233 1.00 0.88 S ATOM 273 CE MET A 20 8.335 -10.934 2.503 1.00 0.58 C ATOM 0 H MET A 20 12.857 -8.611 4.974 1.00 0.79 H new ATOM 0 HA MET A 20 13.893 -11.260 5.227 1.00 0.84 H new ATOM 0 HB2 MET A 20 12.361 -12.334 3.666 1.00 0.88 H new ATOM 0 HB3 MET A 20 11.678 -12.019 5.249 1.00 0.88 H new ATOM 0 HG2 MET A 20 10.424 -10.113 4.368 1.00 0.88 H new ATOM 0 HG3 MET A 20 11.163 -10.323 2.792 1.00 0.88 H new ATOM 0 HE1 MET A 20 7.422 -11.488 2.286 1.00 0.58 H new ATOM 0 HE2 MET A 20 8.112 -10.125 3.198 1.00 0.58 H new ATOM 0 HE3 MET A 20 8.736 -10.518 1.579 1.00 0.58 H new ATOM 283 N HIS A 21 14.218 -10.967 2.469 1.00 0.92 N ATOM 284 CA HIS A 21 15.008 -10.544 1.299 1.00 1.01 C ATOM 285 C HIS A 21 14.254 -9.562 0.416 1.00 0.82 C ATOM 286 O HIS A 21 14.840 -8.641 -0.160 1.00 0.95 O ATOM 287 CB HIS A 21 15.535 -11.741 0.494 1.00 1.24 C ATOM 288 CG HIS A 21 16.536 -12.562 1.250 1.00 1.65 C ATOM 289 ND1 HIS A 21 17.890 -12.361 1.168 1.00 2.31 N ATOM 290 CD2 HIS A 21 16.369 -13.574 2.136 1.00 2.19 C ATOM 291 CE1 HIS A 21 18.504 -13.199 1.966 1.00 2.75 C ATOM 292 NE2 HIS A 21 17.607 -13.946 2.563 1.00 2.66 N ATOM 0 H HIS A 21 13.941 -11.949 2.466 1.00 0.92 H new ATOM 0 HA HIS A 21 15.876 -10.014 1.691 1.00 1.01 H new ATOM 0 HB2 HIS A 21 14.697 -12.375 0.206 1.00 1.24 H new ATOM 0 HB3 HIS A 21 15.992 -11.379 -0.427 1.00 1.24 H new ATOM 0 HD2 HIS A 21 15.428 -14.005 2.446 1.00 2.19 H new ATOM 0 HE1 HIS A 21 19.573 -13.264 2.109 1.00 2.75 H new ATOM 0 HE2 HIS A 21 17.805 -14.685 3.237 1.00 2.66 H new ATOM 301 N HIS A 22 12.976 -9.750 0.309 1.00 0.67 N ATOM 302 CA HIS A 22 12.142 -8.842 -0.424 1.00 0.59 C ATOM 303 C HIS A 22 11.296 -8.150 0.604 1.00 0.49 C ATOM 304 O HIS A 22 10.632 -8.810 1.391 1.00 0.57 O ATOM 305 CB HIS A 22 11.255 -9.583 -1.445 1.00 0.76 C ATOM 306 CG HIS A 22 12.010 -10.518 -2.356 1.00 1.13 C ATOM 307 ND1 HIS A 22 12.923 -10.098 -3.303 1.00 1.52 N ATOM 308 CD2 HIS A 22 12.006 -11.869 -2.430 1.00 2.11 C ATOM 309 CE1 HIS A 22 13.436 -11.148 -3.907 1.00 2.06 C ATOM 310 NE2 HIS A 22 12.901 -12.227 -3.398 1.00 2.46 N ATOM 0 H HIS A 22 12.479 -10.537 0.726 1.00 0.67 H new ATOM 0 HA HIS A 22 12.743 -8.139 -1.000 1.00 0.59 H new ATOM 0 HB2 HIS A 22 10.498 -10.152 -0.906 1.00 0.76 H new ATOM 0 HB3 HIS A 22 10.728 -8.848 -2.053 1.00 0.76 H new ATOM 0 HD1 HIS A 22 13.162 -9.127 -3.503 1.00 1.52 H new ATOM 0 HD2 HIS A 22 11.406 -12.540 -1.834 1.00 2.11 H new ATOM 0 HE1 HIS A 22 14.176 -11.123 -4.693 1.00 2.06 H new ATOM 319 N TRP A 23 11.324 -6.858 0.624 1.00 0.41 N ATOM 320 CA TRP A 23 10.649 -6.131 1.670 1.00 0.36 C ATOM 321 C TRP A 23 9.185 -5.971 1.375 1.00 0.32 C ATOM 322 O TRP A 23 8.792 -5.628 0.263 1.00 0.44 O ATOM 323 CB TRP A 23 11.326 -4.799 1.943 1.00 0.43 C ATOM 324 CG TRP A 23 12.691 -4.953 2.551 1.00 0.47 C ATOM 325 CD1 TRP A 23 13.862 -5.177 1.896 1.00 0.52 C ATOM 326 CD2 TRP A 23 13.019 -4.893 3.944 1.00 0.56 C ATOM 327 NE1 TRP A 23 14.899 -5.253 2.791 1.00 0.57 N ATOM 328 CE2 TRP A 23 14.407 -5.086 4.057 1.00 0.60 C ATOM 329 CE3 TRP A 23 12.270 -4.692 5.108 1.00 0.70 C ATOM 330 CZ2 TRP A 23 15.062 -5.085 5.282 1.00 0.73 C ATOM 331 CZ3 TRP A 23 12.920 -4.691 6.324 1.00 0.85 C ATOM 332 CH2 TRP A 23 14.304 -4.886 6.405 1.00 0.86 C ATOM 0 H TRP A 23 11.803 -6.278 -0.065 1.00 0.41 H new ATOM 0 HA TRP A 23 10.724 -6.721 2.584 1.00 0.36 H new ATOM 0 HB2 TRP A 23 11.410 -4.241 1.010 1.00 0.43 H new ATOM 0 HB3 TRP A 23 10.700 -4.209 2.612 1.00 0.43 H new ATOM 0 HD1 TRP A 23 13.961 -5.280 0.826 1.00 0.52 H new ATOM 0 HE1 TRP A 23 15.878 -5.409 2.552 1.00 0.57 H new ATOM 0 HE3 TRP A 23 11.202 -4.540 5.055 1.00 0.70 H new ATOM 0 HZ2 TRP A 23 16.130 -5.236 5.346 1.00 0.73 H new ATOM 0 HZ3 TRP A 23 12.352 -4.537 7.229 1.00 0.85 H new ATOM 0 HH2 TRP A 23 14.784 -4.879 7.373 1.00 0.86 H new ATOM 343 N CYS A 24 8.393 -6.241 2.366 1.00 0.27 N ATOM 344 CA CYS A 24 6.968 -6.229 2.233 1.00 0.25 C ATOM 345 C CYS A 24 6.354 -5.330 3.291 1.00 0.23 C ATOM 346 O CYS A 24 6.591 -5.527 4.495 1.00 0.25 O ATOM 347 CB CYS A 24 6.445 -7.673 2.370 1.00 0.28 C ATOM 348 SG CYS A 24 4.633 -7.883 2.264 1.00 0.30 S ATOM 0 H CYS A 24 8.721 -6.479 3.302 1.00 0.27 H new ATOM 0 HA CYS A 24 6.688 -5.837 1.255 1.00 0.25 H new ATOM 0 HB2 CYS A 24 6.907 -8.281 1.592 1.00 0.28 H new ATOM 0 HB3 CYS A 24 6.781 -8.071 3.327 1.00 0.28 H new ATOM 353 N ILE A 25 5.635 -4.313 2.843 1.00 0.20 N ATOM 354 CA ILE A 25 4.893 -3.422 3.722 1.00 0.19 C ATOM 355 C ILE A 25 3.416 -3.829 3.669 1.00 0.18 C ATOM 356 O ILE A 25 2.722 -3.538 2.682 1.00 0.18 O ATOM 357 CB ILE A 25 5.020 -1.933 3.279 1.00 0.21 C ATOM 358 CG1 ILE A 25 6.492 -1.502 3.233 1.00 0.25 C ATOM 359 CG2 ILE A 25 4.224 -1.023 4.222 1.00 0.22 C ATOM 360 CD1 ILE A 25 6.713 -0.083 2.746 1.00 0.30 C ATOM 0 H ILE A 25 5.549 -4.081 1.853 1.00 0.20 H new ATOM 0 HA ILE A 25 5.299 -3.507 4.730 1.00 0.19 H new ATOM 0 HB ILE A 25 4.606 -1.840 2.275 1.00 0.21 H new ATOM 0 HG12 ILE A 25 6.919 -1.601 4.231 1.00 0.25 H new ATOM 0 HG13 ILE A 25 7.038 -2.186 2.583 1.00 0.25 H new ATOM 0 HG21 ILE A 25 4.324 0.013 3.898 1.00 0.22 H new ATOM 0 HG22 ILE A 25 3.173 -1.310 4.203 1.00 0.22 H new ATOM 0 HG23 ILE A 25 4.609 -1.125 5.237 1.00 0.22 H new ATOM 0 HD11 ILE A 25 7.780 0.139 2.745 1.00 0.30 H new ATOM 0 HD12 ILE A 25 6.320 0.020 1.735 1.00 0.30 H new ATOM 0 HD13 ILE A 25 6.198 0.613 3.408 1.00 0.30 H new ATOM 372 N PRO A 26 2.927 -4.543 4.684 1.00 0.20 N ATOM 373 CA PRO A 26 1.546 -5.009 4.721 1.00 0.21 C ATOM 374 C PRO A 26 0.552 -3.878 5.021 1.00 0.21 C ATOM 375 O PRO A 26 0.742 -3.090 5.963 1.00 0.23 O ATOM 376 CB PRO A 26 1.533 -6.040 5.868 1.00 0.25 C ATOM 377 CG PRO A 26 2.959 -6.212 6.284 1.00 0.28 C ATOM 378 CD PRO A 26 3.665 -4.958 5.884 1.00 0.24 C ATOM 0 HA PRO A 26 1.239 -5.418 3.758 1.00 0.21 H new ATOM 0 HB2 PRO A 26 0.923 -5.689 6.701 1.00 0.25 H new ATOM 0 HB3 PRO A 26 1.106 -6.987 5.537 1.00 0.25 H new ATOM 0 HG2 PRO A 26 3.034 -6.375 7.359 1.00 0.28 H new ATOM 0 HG3 PRO A 26 3.404 -7.081 5.799 1.00 0.28 H new ATOM 0 HD2 PRO A 26 3.623 -4.202 6.668 1.00 0.24 H new ATOM 0 HD3 PRO A 26 4.719 -5.137 5.670 1.00 0.24 H new ATOM 386 N PHE A 27 -0.499 -3.798 4.235 1.00 0.23 N ATOM 387 CA PHE A 27 -1.515 -2.796 4.449 1.00 0.25 C ATOM 388 C PHE A 27 -2.887 -3.429 4.446 1.00 0.25 C ATOM 389 O PHE A 27 -3.072 -4.561 3.957 1.00 0.30 O ATOM 390 CB PHE A 27 -1.447 -1.642 3.412 1.00 0.27 C ATOM 391 CG PHE A 27 -1.754 -2.007 1.978 1.00 0.28 C ATOM 392 CD1 PHE A 27 -3.065 -1.997 1.501 1.00 0.29 C ATOM 393 CD2 PHE A 27 -0.737 -2.336 1.106 1.00 0.32 C ATOM 394 CE1 PHE A 27 -3.337 -2.316 0.193 1.00 0.34 C ATOM 395 CE2 PHE A 27 -1.009 -2.655 -0.207 1.00 0.36 C ATOM 396 CZ PHE A 27 -2.310 -2.648 -0.662 1.00 0.37 C ATOM 0 H PHE A 27 -0.671 -4.416 3.442 1.00 0.23 H new ATOM 0 HA PHE A 27 -1.324 -2.354 5.427 1.00 0.25 H new ATOM 0 HB2 PHE A 27 -2.143 -0.863 3.722 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -0.447 -1.209 3.448 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -3.874 -1.736 2.167 1.00 0.29 H new ATOM 0 HD2 PHE A 27 0.285 -2.344 1.456 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -4.356 -2.306 -0.165 1.00 0.34 H new ATOM 0 HE2 PHE A 27 -0.203 -2.910 -0.879 1.00 0.36 H new ATOM 0 HZ PHE A 27 -2.524 -2.903 -1.689 1.00 0.37 H new ATOM 406 N SER A 28 -3.830 -2.736 5.011 1.00 0.25 N ATOM 407 CA SER A 28 -5.195 -3.160 5.036 1.00 0.28 C ATOM 408 C SER A 28 -6.097 -1.937 4.904 1.00 0.24 C ATOM 409 O SER A 28 -6.138 -1.075 5.787 1.00 0.27 O ATOM 410 CB SER A 28 -5.487 -3.939 6.324 1.00 0.41 C ATOM 411 OG SER A 28 -4.631 -5.083 6.421 1.00 0.88 O ATOM 0 H SER A 28 -3.667 -1.843 5.476 1.00 0.25 H new ATOM 0 HA SER A 28 -5.392 -3.831 4.200 1.00 0.28 H new ATOM 0 HB2 SER A 28 -5.340 -3.292 7.189 1.00 0.41 H new ATOM 0 HB3 SER A 28 -6.530 -4.255 6.337 1.00 0.41 H new ATOM 0 HG SER A 28 -4.828 -5.569 7.249 1.00 0.88 H new ATOM 417 N VAL A 29 -6.758 -1.839 3.787 1.00 0.23 N ATOM 418 CA VAL A 29 -7.653 -0.741 3.523 1.00 0.21 C ATOM 419 C VAL A 29 -9.090 -1.251 3.428 1.00 0.21 C ATOM 420 O VAL A 29 -9.386 -2.150 2.653 1.00 0.27 O ATOM 421 CB VAL A 29 -7.225 0.082 2.249 1.00 0.22 C ATOM 422 CG1 VAL A 29 -6.967 -0.827 1.074 1.00 0.25 C ATOM 423 CG2 VAL A 29 -8.296 1.098 1.882 1.00 0.26 C ATOM 0 H VAL A 29 -6.694 -2.518 3.029 1.00 0.23 H new ATOM 0 HA VAL A 29 -7.595 -0.044 4.359 1.00 0.21 H new ATOM 0 HB VAL A 29 -6.301 0.607 2.493 1.00 0.22 H new ATOM 0 HG11 VAL A 29 -6.674 -0.231 0.210 1.00 0.25 H new ATOM 0 HG12 VAL A 29 -6.167 -1.524 1.322 1.00 0.25 H new ATOM 0 HG13 VAL A 29 -7.874 -1.384 0.839 1.00 0.25 H new ATOM 0 HG21 VAL A 29 -7.981 1.656 1.000 1.00 0.26 H new ATOM 0 HG22 VAL A 29 -9.231 0.580 1.669 1.00 0.26 H new ATOM 0 HG23 VAL A 29 -8.444 1.787 2.713 1.00 0.26 H new ATOM 433 N ASP A 30 -9.942 -0.711 4.248 1.00 0.27 N ATOM 434 CA ASP A 30 -11.345 -1.120 4.304 1.00 0.35 C ATOM 435 C ASP A 30 -12.204 -0.115 3.580 1.00 0.37 C ATOM 436 O ASP A 30 -11.912 1.088 3.622 1.00 0.48 O ATOM 437 CB ASP A 30 -11.804 -1.256 5.764 1.00 0.51 C ATOM 438 CG ASP A 30 -13.269 -1.644 5.913 1.00 0.80 C ATOM 439 OD1 ASP A 30 -14.102 -0.772 6.217 1.00 1.39 O ATOM 440 OD2 ASP A 30 -13.628 -2.818 5.642 1.00 1.30 O ATOM 0 H ASP A 30 -9.699 0.030 4.906 1.00 0.27 H new ATOM 0 HA ASP A 30 -11.448 -2.089 3.816 1.00 0.35 H new ATOM 0 HB2 ASP A 30 -11.187 -2.005 6.261 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -11.634 -0.310 6.278 1.00 0.51 H new ATOM 445 N GLY A 31 -13.198 -0.602 2.880 1.00 0.37 N ATOM 446 CA GLY A 31 -14.123 0.240 2.188 1.00 0.42 C ATOM 447 C GLY A 31 -14.973 -0.576 1.256 1.00 0.46 C ATOM 448 O GLY A 31 -14.520 -1.592 0.745 1.00 0.60 O ATOM 0 H GLY A 31 -13.383 -1.600 2.778 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -14.756 0.763 2.905 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -13.582 1.001 1.626 1.00 0.42 H new ATOM 452 N GLN A 32 -16.201 -0.164 1.050 1.00 0.55 N ATOM 453 CA GLN A 32 -17.083 -0.879 0.143 1.00 0.64 C ATOM 454 C GLN A 32 -16.830 -0.349 -1.285 1.00 0.61 C ATOM 455 O GLN A 32 -16.563 -1.139 -2.190 1.00 0.68 O ATOM 456 CB GLN A 32 -18.560 -0.752 0.556 1.00 0.76 C ATOM 457 CG GLN A 32 -19.370 -2.047 0.517 1.00 0.99 C ATOM 458 CD GLN A 32 -19.316 -2.781 -0.794 1.00 1.82 C ATOM 459 OE1 GLN A 32 -18.487 -3.658 -0.993 1.00 2.42 O ATOM 460 NE2 GLN A 32 -20.167 -2.419 -1.693 1.00 2.61 N ATOM 0 H GLN A 32 -16.615 0.656 1.492 1.00 0.55 H new ATOM 0 HA GLN A 32 -16.863 -1.946 0.181 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -18.602 -0.348 1.568 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -19.040 -0.024 -0.098 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -19.009 -2.709 1.304 1.00 0.99 H new ATOM 0 HG3 GLN A 32 -20.410 -1.816 0.746 1.00 0.99 H new ATOM 0 HE21 GLN A 32 -20.843 -1.683 -1.488 1.00 2.61 H new ATOM 0 HE22 GLN A 32 -20.164 -2.869 -2.609 1.00 2.61 H new ATOM 469 N PRO A 33 -16.946 1.002 -1.550 1.00 0.59 N ATOM 470 CA PRO A 33 -16.448 1.540 -2.793 1.00 0.62 C ATOM 471 C PRO A 33 -14.927 1.549 -2.705 1.00 0.53 C ATOM 472 O PRO A 33 -14.349 2.198 -1.807 1.00 0.44 O ATOM 473 CB PRO A 33 -17.008 2.971 -2.845 1.00 0.67 C ATOM 474 CG PRO A 33 -17.299 3.330 -1.434 1.00 0.78 C ATOM 475 CD PRO A 33 -17.616 2.046 -0.732 1.00 0.63 C ATOM 0 HA PRO A 33 -16.737 0.975 -3.679 1.00 0.62 H new ATOM 0 HB2 PRO A 33 -16.287 3.660 -3.285 1.00 0.67 H new ATOM 0 HB3 PRO A 33 -17.909 3.019 -3.457 1.00 0.67 H new ATOM 0 HG2 PRO A 33 -16.443 3.824 -0.974 1.00 0.78 H new ATOM 0 HG3 PRO A 33 -18.138 4.024 -1.374 1.00 0.78 H new ATOM 0 HD2 PRO A 33 -17.241 2.050 0.292 1.00 0.63 H new ATOM 0 HD3 PRO A 33 -18.692 1.878 -0.677 1.00 0.63 H new ATOM 483 N ALA A 34 -14.298 0.833 -3.607 1.00 0.62 N ATOM 484 CA ALA A 34 -12.866 0.601 -3.583 1.00 0.60 C ATOM 485 C ALA A 34 -12.061 1.875 -3.855 1.00 0.52 C ATOM 486 O ALA A 34 -12.108 2.424 -4.959 1.00 0.63 O ATOM 487 CB ALA A 34 -12.502 -0.497 -4.574 1.00 0.78 C ATOM 0 H ALA A 34 -14.771 0.386 -4.393 1.00 0.62 H new ATOM 0 HA ALA A 34 -12.601 0.278 -2.576 1.00 0.60 H new ATOM 0 HB1 ALA A 34 -11.425 -0.666 -4.551 1.00 0.78 H new ATOM 0 HB2 ALA A 34 -13.020 -1.417 -4.304 1.00 0.78 H new ATOM 0 HB3 ALA A 34 -12.800 -0.195 -5.578 1.00 0.78 H new ATOM 493 N PRO A 35 -11.324 2.367 -2.841 1.00 0.39 N ATOM 494 CA PRO A 35 -10.504 3.575 -2.972 1.00 0.35 C ATOM 495 C PRO A 35 -9.279 3.362 -3.857 1.00 0.41 C ATOM 496 O PRO A 35 -8.637 2.298 -3.810 1.00 0.56 O ATOM 497 CB PRO A 35 -10.033 3.847 -1.541 1.00 0.29 C ATOM 498 CG PRO A 35 -10.097 2.530 -0.860 1.00 0.31 C ATOM 499 CD PRO A 35 -11.253 1.805 -1.471 1.00 0.37 C ATOM 0 HA PRO A 35 -11.072 4.385 -3.430 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -9.020 4.249 -1.528 1.00 0.29 H new ATOM 0 HB3 PRO A 35 -10.673 4.578 -1.047 1.00 0.29 H new ATOM 0 HG2 PRO A 35 -9.170 1.974 -0.999 1.00 0.31 H new ATOM 0 HG3 PRO A 35 -10.237 2.653 0.214 1.00 0.31 H new ATOM 0 HD2 PRO A 35 -11.089 0.728 -1.486 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -12.175 1.979 -0.917 1.00 0.37 H new ATOM 507 N SER A 36 -8.959 4.352 -4.639 1.00 0.39 N ATOM 508 CA SER A 36 -7.772 4.328 -5.441 1.00 0.44 C ATOM 509 C SER A 36 -6.592 4.610 -4.506 1.00 0.37 C ATOM 510 O SER A 36 -6.495 5.705 -3.923 1.00 0.41 O ATOM 511 CB SER A 36 -7.874 5.386 -6.555 1.00 0.57 C ATOM 512 OG SER A 36 -6.748 5.357 -7.427 1.00 1.37 O ATOM 0 H SER A 36 -9.516 5.201 -4.738 1.00 0.39 H new ATOM 0 HA SER A 36 -7.637 3.362 -5.927 1.00 0.44 H new ATOM 0 HB2 SER A 36 -8.783 5.217 -7.132 1.00 0.57 H new ATOM 0 HB3 SER A 36 -7.960 6.376 -6.107 1.00 0.57 H new ATOM 0 HG SER A 36 -6.853 6.042 -8.120 1.00 1.37 H new ATOM 518 N LEU A 37 -5.759 3.616 -4.310 1.00 0.33 N ATOM 519 CA LEU A 37 -4.625 3.707 -3.403 1.00 0.30 C ATOM 520 C LEU A 37 -3.445 4.412 -4.061 1.00 0.32 C ATOM 521 O LEU A 37 -3.068 4.089 -5.191 1.00 0.50 O ATOM 522 CB LEU A 37 -4.206 2.304 -2.951 1.00 0.32 C ATOM 523 CG LEU A 37 -5.246 1.491 -2.188 1.00 0.32 C ATOM 524 CD1 LEU A 37 -4.704 0.121 -1.899 1.00 0.43 C ATOM 525 CD2 LEU A 37 -5.609 2.176 -0.889 1.00 0.27 C ATOM 0 H LEU A 37 -5.844 2.712 -4.776 1.00 0.33 H new ATOM 0 HA LEU A 37 -4.931 4.294 -2.537 1.00 0.30 H new ATOM 0 HB2 LEU A 37 -3.911 1.736 -3.833 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -3.321 2.399 -2.322 1.00 0.32 H new ATOM 0 HG LEU A 37 -6.142 1.409 -2.803 1.00 0.32 H new ATOM 0 HD11 LEU A 37 -5.450 -0.458 -1.354 1.00 0.43 H new ATOM 0 HD12 LEU A 37 -4.469 -0.382 -2.837 1.00 0.43 H new ATOM 0 HD13 LEU A 37 -3.800 0.207 -1.297 1.00 0.43 H new ATOM 0 HD21 LEU A 37 -6.352 1.581 -0.359 1.00 0.27 H new ATOM 0 HD22 LEU A 37 -4.718 2.278 -0.270 1.00 0.27 H new ATOM 0 HD23 LEU A 37 -6.019 3.164 -1.101 1.00 0.27 H new ATOM 537 N ARG A 38 -2.888 5.368 -3.363 1.00 0.23 N ATOM 538 CA ARG A 38 -1.742 6.115 -3.828 1.00 0.23 C ATOM 539 C ARG A 38 -0.703 6.183 -2.719 1.00 0.22 C ATOM 540 O ARG A 38 -1.033 6.488 -1.573 1.00 0.26 O ATOM 541 CB ARG A 38 -2.160 7.541 -4.222 1.00 0.28 C ATOM 542 CG ARG A 38 -1.012 8.417 -4.724 1.00 0.33 C ATOM 543 CD ARG A 38 -1.474 9.834 -5.020 1.00 1.28 C ATOM 544 NE ARG A 38 -1.907 10.554 -3.807 1.00 1.98 N ATOM 545 CZ ARG A 38 -2.363 11.818 -3.790 1.00 3.10 C ATOM 546 NH1 ARG A 38 -2.521 12.485 -4.928 1.00 3.72 N ATOM 547 NH2 ARG A 38 -2.660 12.407 -2.638 1.00 3.78 N ATOM 0 H ARG A 38 -3.220 5.655 -2.443 1.00 0.23 H new ATOM 0 HA ARG A 38 -1.322 5.615 -4.701 1.00 0.23 H new ATOM 0 HB2 ARG A 38 -2.923 7.482 -4.998 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -2.620 8.024 -3.360 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -0.219 8.441 -3.976 1.00 0.33 H new ATOM 0 HG3 ARG A 38 -0.586 7.977 -5.626 1.00 0.33 H new ATOM 0 HD2 ARG A 38 -0.662 10.385 -5.495 1.00 1.28 H new ATOM 0 HD3 ARG A 38 -2.298 9.802 -5.733 1.00 1.28 H new ATOM 0 HE ARG A 38 -1.857 10.057 -2.918 1.00 1.98 H new ATOM 0 HH11 ARG A 38 -2.296 12.038 -5.817 1.00 3.72 H new ATOM 0 HH12 ARG A 38 -2.867 13.444 -4.913 1.00 3.72 H new ATOM 0 HH21 ARG A 38 -2.542 11.900 -1.761 1.00 3.78 H new ATOM 0 HH22 ARG A 38 -3.006 13.367 -2.630 1.00 3.78 H new ATOM 561 N TRP A 39 0.527 5.890 -3.050 1.00 0.22 N ATOM 562 CA TRP A 39 1.611 5.972 -2.097 1.00 0.22 C ATOM 563 C TRP A 39 2.346 7.281 -2.262 1.00 0.20 C ATOM 564 O TRP A 39 2.630 7.718 -3.395 1.00 0.26 O ATOM 565 CB TRP A 39 2.607 4.831 -2.278 1.00 0.25 C ATOM 566 CG TRP A 39 2.037 3.474 -2.061 1.00 0.25 C ATOM 567 CD1 TRP A 39 1.509 2.656 -3.005 1.00 0.29 C ATOM 568 CD2 TRP A 39 1.951 2.770 -0.820 1.00 0.24 C ATOM 569 NE1 TRP A 39 1.097 1.486 -2.437 1.00 0.29 N ATOM 570 CE2 TRP A 39 1.357 1.525 -1.093 1.00 0.26 C ATOM 571 CE3 TRP A 39 2.323 3.070 0.497 1.00 0.25 C ATOM 572 CZ2 TRP A 39 1.124 0.577 -0.099 1.00 0.26 C ATOM 573 CZ3 TRP A 39 2.093 2.131 1.480 1.00 0.26 C ATOM 574 CH2 TRP A 39 1.499 0.898 1.180 1.00 0.26 C ATOM 0 H TRP A 39 0.809 5.589 -3.983 1.00 0.22 H new ATOM 0 HA TRP A 39 1.173 5.902 -1.101 1.00 0.22 H new ATOM 0 HB2 TRP A 39 3.019 4.881 -3.286 1.00 0.25 H new ATOM 0 HB3 TRP A 39 3.437 4.977 -1.587 1.00 0.25 H new ATOM 0 HD1 TRP A 39 1.427 2.896 -4.055 1.00 0.29 H new ATOM 0 HE1 TRP A 39 0.665 0.707 -2.934 1.00 0.29 H new ATOM 0 HE3 TRP A 39 2.781 4.018 0.737 1.00 0.25 H new ATOM 0 HZ2 TRP A 39 0.666 -0.374 -0.327 1.00 0.26 H new ATOM 0 HZ3 TRP A 39 2.376 2.350 2.499 1.00 0.26 H new ATOM 0 HH2 TRP A 39 1.333 0.185 1.974 1.00 0.26 H new ATOM 585 N LEU A 40 2.630 7.904 -1.171 1.00 0.25 N ATOM 586 CA LEU A 40 3.393 9.118 -1.157 1.00 0.24 C ATOM 587 C LEU A 40 4.673 8.808 -0.392 1.00 0.27 C ATOM 588 O LEU A 40 4.621 8.154 0.648 1.00 0.34 O ATOM 589 CB LEU A 40 2.596 10.218 -0.444 1.00 0.31 C ATOM 590 CG LEU A 40 3.043 11.660 -0.666 1.00 0.49 C ATOM 591 CD1 LEU A 40 2.746 12.078 -2.093 1.00 0.66 C ATOM 592 CD2 LEU A 40 2.358 12.592 0.322 1.00 0.95 C ATOM 0 H LEU A 40 2.338 7.586 -0.247 1.00 0.25 H new ATOM 0 HA LEU A 40 3.615 9.469 -2.165 1.00 0.24 H new ATOM 0 HB2 LEU A 40 1.555 10.136 -0.755 1.00 0.31 H new ATOM 0 HB3 LEU A 40 2.626 10.016 0.627 1.00 0.31 H new ATOM 0 HG LEU A 40 4.118 11.725 -0.499 1.00 0.49 H new ATOM 0 HD11 LEU A 40 3.068 13.108 -2.245 1.00 0.66 H new ATOM 0 HD12 LEU A 40 3.282 11.425 -2.782 1.00 0.66 H new ATOM 0 HD13 LEU A 40 1.675 12.001 -2.279 1.00 0.66 H new ATOM 0 HD21 LEU A 40 2.690 13.615 0.147 1.00 0.95 H new ATOM 0 HD22 LEU A 40 1.278 12.533 0.189 1.00 0.95 H new ATOM 0 HD23 LEU A 40 2.615 12.296 1.339 1.00 0.95 H new ATOM 604 N PHE A 41 5.789 9.225 -0.907 1.00 0.28 N ATOM 605 CA PHE A 41 7.072 8.949 -0.298 1.00 0.35 C ATOM 606 C PHE A 41 7.774 10.252 0.018 1.00 0.38 C ATOM 607 O PHE A 41 8.116 11.004 -0.888 1.00 0.41 O ATOM 608 CB PHE A 41 7.931 8.076 -1.234 1.00 0.45 C ATOM 609 CG PHE A 41 9.331 7.823 -0.737 1.00 0.58 C ATOM 610 CD1 PHE A 41 10.403 8.499 -1.279 1.00 0.75 C ATOM 611 CD2 PHE A 41 9.566 6.904 0.279 1.00 0.60 C ATOM 612 CE1 PHE A 41 11.684 8.267 -0.824 1.00 0.88 C ATOM 613 CE2 PHE A 41 10.844 6.668 0.737 1.00 0.74 C ATOM 614 CZ PHE A 41 11.912 7.365 0.173 1.00 0.86 C ATOM 0 H PHE A 41 5.845 9.771 -1.767 1.00 0.28 H new ATOM 0 HA PHE A 41 6.920 8.399 0.631 1.00 0.35 H new ATOM 0 HB2 PHE A 41 7.431 7.118 -1.378 1.00 0.45 H new ATOM 0 HB3 PHE A 41 7.986 8.557 -2.211 1.00 0.45 H new ATOM 0 HD1 PHE A 41 10.238 9.218 -2.068 1.00 0.75 H new ATOM 0 HD2 PHE A 41 8.736 6.368 0.715 1.00 0.60 H new ATOM 0 HE1 PHE A 41 12.513 8.804 -1.261 1.00 0.88 H new ATOM 0 HE2 PHE A 41 11.017 5.950 1.525 1.00 0.74 H new ATOM 0 HZ PHE A 41 12.918 7.191 0.525 1.00 0.86 H new ATOM 624 N ASN A 42 7.930 10.536 1.305 1.00 0.46 N ATOM 625 CA ASN A 42 8.607 11.765 1.808 1.00 0.57 C ATOM 626 C ASN A 42 7.953 13.052 1.283 1.00 0.53 C ATOM 627 O ASN A 42 8.598 14.103 1.200 1.00 0.69 O ATOM 628 CB ASN A 42 10.121 11.778 1.464 1.00 0.73 C ATOM 629 CG ASN A 42 10.972 10.766 2.226 1.00 1.12 C ATOM 630 OD1 ASN A 42 10.508 9.700 2.632 1.00 1.79 O ATOM 631 ND2 ASN A 42 12.230 11.097 2.419 1.00 1.72 N ATOM 0 H ASN A 42 7.594 9.926 2.050 1.00 0.46 H new ATOM 0 HA ASN A 42 8.493 11.739 2.892 1.00 0.57 H new ATOM 0 HB2 ASN A 42 10.236 11.593 0.396 1.00 0.73 H new ATOM 0 HB3 ASN A 42 10.512 12.777 1.658 1.00 0.73 H new ATOM 0 HD21 ASN A 42 12.853 10.463 2.918 1.00 1.72 H new ATOM 0 HD22 ASN A 42 12.582 11.988 2.069 1.00 1.72 H new ATOM 638 N GLY A 43 6.685 12.973 0.930 1.00 0.45 N ATOM 639 CA GLY A 43 5.989 14.129 0.388 1.00 0.51 C ATOM 640 C GLY A 43 6.092 14.219 -1.132 1.00 0.47 C ATOM 641 O GLY A 43 5.662 15.191 -1.735 1.00 0.61 O ATOM 0 H GLY A 43 6.117 12.129 1.007 1.00 0.45 H new ATOM 0 HA2 GLY A 43 4.938 14.083 0.675 1.00 0.51 H new ATOM 0 HA3 GLY A 43 6.401 15.036 0.830 1.00 0.51 H new ATOM 645 N SER A 44 6.692 13.232 -1.734 1.00 0.38 N ATOM 646 CA SER A 44 6.823 13.147 -3.174 1.00 0.40 C ATOM 647 C SER A 44 6.004 11.981 -3.671 1.00 0.33 C ATOM 648 O SER A 44 5.773 11.010 -2.940 1.00 0.28 O ATOM 649 CB SER A 44 8.298 12.963 -3.532 1.00 0.51 C ATOM 650 OG SER A 44 9.086 14.029 -3.006 1.00 1.37 O ATOM 0 H SER A 44 7.113 12.447 -1.237 1.00 0.38 H new ATOM 0 HA SER A 44 6.460 14.060 -3.645 1.00 0.40 H new ATOM 0 HB2 SER A 44 8.656 12.012 -3.138 1.00 0.51 H new ATOM 0 HB3 SER A 44 8.411 12.922 -4.615 1.00 0.51 H new ATOM 0 HG SER A 44 10.026 13.890 -3.246 1.00 1.37 H new ATOM 656 N VAL A 45 5.547 12.082 -4.889 1.00 0.41 N ATOM 657 CA VAL A 45 4.736 11.061 -5.478 1.00 0.41 C ATOM 658 C VAL A 45 5.602 9.870 -5.809 1.00 0.39 C ATOM 659 O VAL A 45 6.547 9.978 -6.592 1.00 0.45 O ATOM 660 CB VAL A 45 4.008 11.558 -6.756 1.00 0.55 C ATOM 661 CG1 VAL A 45 3.230 10.438 -7.396 1.00 0.68 C ATOM 662 CG2 VAL A 45 3.067 12.690 -6.434 1.00 0.70 C ATOM 0 H VAL A 45 5.729 12.878 -5.500 1.00 0.41 H new ATOM 0 HA VAL A 45 3.968 10.781 -4.757 1.00 0.41 H new ATOM 0 HB VAL A 45 4.770 11.912 -7.450 1.00 0.55 H new ATOM 0 HG11 VAL A 45 2.728 10.808 -8.290 1.00 0.68 H new ATOM 0 HG12 VAL A 45 3.911 9.632 -7.670 1.00 0.68 H new ATOM 0 HG13 VAL A 45 2.488 10.062 -6.692 1.00 0.68 H new ATOM 0 HG21 VAL A 45 2.569 13.020 -7.346 1.00 0.70 H new ATOM 0 HG22 VAL A 45 2.321 12.350 -5.716 1.00 0.70 H new ATOM 0 HG23 VAL A 45 3.629 13.520 -6.007 1.00 0.70 H new ATOM 672 N LEU A 46 5.307 8.760 -5.187 1.00 0.37 N ATOM 673 CA LEU A 46 6.043 7.550 -5.416 1.00 0.40 C ATOM 674 C LEU A 46 5.523 6.874 -6.668 1.00 0.44 C ATOM 675 O LEU A 46 4.377 6.416 -6.704 1.00 0.51 O ATOM 676 CB LEU A 46 5.896 6.608 -4.220 1.00 0.44 C ATOM 677 CG LEU A 46 6.624 5.264 -4.327 1.00 0.51 C ATOM 678 CD1 LEU A 46 8.133 5.452 -4.358 1.00 0.57 C ATOM 679 CD2 LEU A 46 6.214 4.348 -3.194 1.00 0.61 C ATOM 0 H LEU A 46 4.550 8.671 -4.509 1.00 0.37 H new ATOM 0 HA LEU A 46 7.098 7.792 -5.544 1.00 0.40 H new ATOM 0 HB2 LEU A 46 6.257 7.124 -3.330 1.00 0.44 H new ATOM 0 HB3 LEU A 46 4.835 6.412 -4.066 1.00 0.44 H new ATOM 0 HG LEU A 46 6.334 4.797 -5.268 1.00 0.51 H new ATOM 0 HD11 LEU A 46 8.619 4.479 -4.434 1.00 0.57 H new ATOM 0 HD12 LEU A 46 8.406 6.063 -5.219 1.00 0.57 H new ATOM 0 HD13 LEU A 46 8.457 5.949 -3.443 1.00 0.57 H new ATOM 0 HD21 LEU A 46 6.740 3.398 -3.285 1.00 0.61 H new ATOM 0 HD22 LEU A 46 6.467 4.813 -2.241 1.00 0.61 H new ATOM 0 HD23 LEU A 46 5.139 4.173 -3.239 1.00 0.61 H new ATOM 691 N ASN A 47 6.320 6.852 -7.690 1.00 0.54 N ATOM 692 CA ASN A 47 5.946 6.172 -8.901 1.00 0.59 C ATOM 693 C ASN A 47 6.305 4.707 -8.750 1.00 0.53 C ATOM 694 O ASN A 47 7.476 4.369 -8.547 1.00 0.64 O ATOM 695 CB ASN A 47 6.659 6.779 -10.118 1.00 0.79 C ATOM 696 CG ASN A 47 6.318 6.094 -11.437 1.00 1.54 C ATOM 697 OD1 ASN A 47 6.984 5.146 -11.854 1.00 2.47 O ATOM 698 ND2 ASN A 47 5.312 6.577 -12.114 1.00 1.94 N ATOM 0 H ASN A 47 7.237 7.297 -7.715 1.00 0.54 H new ATOM 0 HA ASN A 47 4.874 6.282 -9.067 1.00 0.59 H new ATOM 0 HB2 ASN A 47 6.399 7.835 -10.190 1.00 0.79 H new ATOM 0 HB3 ASN A 47 7.736 6.726 -9.960 1.00 0.79 H new ATOM 0 HD21 ASN A 47 5.060 6.168 -13.014 1.00 1.94 H new ATOM 0 HD22 ASN A 47 4.778 7.363 -11.743 1.00 1.94 H new ATOM 705 N GLU A 48 5.305 3.854 -8.790 1.00 0.49 N ATOM 706 CA GLU A 48 5.502 2.422 -8.625 1.00 0.53 C ATOM 707 C GLU A 48 6.282 1.862 -9.802 1.00 0.53 C ATOM 708 O GLU A 48 5.858 1.990 -10.958 1.00 0.70 O ATOM 709 CB GLU A 48 4.162 1.718 -8.524 1.00 0.69 C ATOM 710 CG GLU A 48 3.321 2.101 -7.329 1.00 0.74 C ATOM 711 CD GLU A 48 1.959 1.482 -7.415 1.00 1.12 C ATOM 712 OE1 GLU A 48 1.009 2.186 -7.810 1.00 1.56 O ATOM 713 OE2 GLU A 48 1.816 0.259 -7.156 1.00 1.74 O ATOM 0 H GLU A 48 4.333 4.128 -8.937 1.00 0.49 H new ATOM 0 HA GLU A 48 6.066 2.253 -7.708 1.00 0.53 H new ATOM 0 HB2 GLU A 48 3.592 1.925 -9.430 1.00 0.69 H new ATOM 0 HB3 GLU A 48 4.336 0.642 -8.495 1.00 0.69 H new ATOM 0 HG2 GLU A 48 3.815 1.778 -6.413 1.00 0.74 H new ATOM 0 HG3 GLU A 48 3.229 3.186 -7.276 1.00 0.74 H new ATOM 720 N THR A 49 7.390 1.248 -9.520 1.00 0.53 N ATOM 721 CA THR A 49 8.254 0.716 -10.535 1.00 0.58 C ATOM 722 C THR A 49 8.136 -0.804 -10.578 1.00 0.60 C ATOM 723 O THR A 49 7.270 -1.377 -9.918 1.00 0.65 O ATOM 724 CB THR A 49 9.721 1.083 -10.229 1.00 0.71 C ATOM 725 OG1 THR A 49 10.058 0.597 -8.913 1.00 1.57 O ATOM 726 CG2 THR A 49 9.933 2.589 -10.288 1.00 0.98 C ATOM 0 H THR A 49 7.726 1.099 -8.568 1.00 0.53 H new ATOM 0 HA THR A 49 7.957 1.140 -11.494 1.00 0.58 H new ATOM 0 HB THR A 49 10.363 0.622 -10.979 1.00 0.71 H new ATOM 0 HG1 THR A 49 10.989 0.824 -8.709 1.00 1.57 H new ATOM 0 HG21 THR A 49 10.976 2.819 -10.068 1.00 0.98 H new ATOM 0 HG22 THR A 49 9.684 2.953 -11.285 1.00 0.98 H new ATOM 0 HG23 THR A 49 9.292 3.076 -9.553 1.00 0.98 H new ATOM 734 N SER A 50 8.988 -1.455 -11.324 1.00 0.68 N ATOM 735 CA SER A 50 9.037 -2.894 -11.327 1.00 0.78 C ATOM 736 C SER A 50 9.580 -3.401 -9.978 1.00 0.72 C ATOM 737 O SER A 50 9.347 -4.538 -9.585 1.00 0.86 O ATOM 738 CB SER A 50 9.936 -3.364 -12.469 1.00 0.96 C ATOM 739 OG SER A 50 9.496 -2.816 -13.708 1.00 1.52 O ATOM 0 H SER A 50 9.664 -1.007 -11.943 1.00 0.68 H new ATOM 0 HA SER A 50 8.034 -3.295 -11.471 1.00 0.78 H new ATOM 0 HB2 SER A 50 10.966 -3.063 -12.277 1.00 0.96 H new ATOM 0 HB3 SER A 50 9.927 -4.453 -12.522 1.00 0.96 H new ATOM 0 HG SER A 50 10.083 -3.125 -14.429 1.00 1.52 H new ATOM 745 N PHE A 51 10.284 -2.536 -9.266 1.00 0.64 N ATOM 746 CA PHE A 51 10.893 -2.917 -8.016 1.00 0.68 C ATOM 747 C PHE A 51 9.956 -2.634 -6.867 1.00 0.55 C ATOM 748 O PHE A 51 9.837 -3.441 -5.958 1.00 0.61 O ATOM 749 CB PHE A 51 12.203 -2.162 -7.802 1.00 0.87 C ATOM 750 CG PHE A 51 13.154 -2.280 -8.952 1.00 1.08 C ATOM 751 CD1 PHE A 51 13.846 -3.461 -9.166 1.00 1.39 C ATOM 752 CD2 PHE A 51 13.372 -1.215 -9.805 1.00 1.16 C ATOM 753 CE1 PHE A 51 14.732 -3.576 -10.210 1.00 1.59 C ATOM 754 CE2 PHE A 51 14.258 -1.327 -10.854 1.00 1.37 C ATOM 755 CZ PHE A 51 14.887 -2.492 -11.100 1.00 1.52 C ATOM 0 H PHE A 51 10.444 -1.566 -9.538 1.00 0.64 H new ATOM 0 HA PHE A 51 11.102 -3.986 -8.055 1.00 0.68 H new ATOM 0 HB2 PHE A 51 11.982 -1.109 -7.630 1.00 0.87 H new ATOM 0 HB3 PHE A 51 12.687 -2.538 -6.900 1.00 0.87 H new ATOM 0 HD1 PHE A 51 13.687 -4.300 -8.505 1.00 1.39 H new ATOM 0 HD2 PHE A 51 12.843 -0.287 -9.648 1.00 1.16 H new ATOM 0 HE1 PHE A 51 15.302 -4.483 -10.347 1.00 1.59 H new ATOM 0 HE2 PHE A 51 14.450 -0.472 -11.485 1.00 1.37 H new ATOM 0 HZ PHE A 51 15.509 -2.596 -11.977 1.00 1.52 H new ATOM 765 N ILE A 52 9.284 -1.504 -6.930 1.00 0.46 N ATOM 766 CA ILE A 52 8.373 -1.094 -5.882 1.00 0.39 C ATOM 767 C ILE A 52 6.964 -1.203 -6.430 1.00 0.37 C ATOM 768 O ILE A 52 6.560 -0.378 -7.250 1.00 0.43 O ATOM 769 CB ILE A 52 8.615 0.391 -5.492 1.00 0.41 C ATOM 770 CG1 ILE A 52 10.110 0.686 -5.348 1.00 0.46 C ATOM 771 CG2 ILE A 52 7.908 0.707 -4.180 1.00 0.41 C ATOM 772 CD1 ILE A 52 10.412 2.133 -5.019 1.00 0.50 C ATOM 0 H ILE A 52 9.353 -0.846 -7.706 1.00 0.46 H new ATOM 0 HA ILE A 52 8.525 -1.724 -5.006 1.00 0.39 H new ATOM 0 HB ILE A 52 8.212 1.018 -6.287 1.00 0.41 H new ATOM 0 HG12 ILE A 52 10.524 0.050 -4.566 1.00 0.46 H new ATOM 0 HG13 ILE A 52 10.616 0.420 -6.276 1.00 0.46 H new ATOM 0 HG21 ILE A 52 8.083 1.750 -3.914 1.00 0.41 H new ATOM 0 HG22 ILE A 52 6.837 0.536 -4.293 1.00 0.41 H new ATOM 0 HG23 ILE A 52 8.297 0.062 -3.392 1.00 0.41 H new ATOM 0 HD11 ILE A 52 11.490 2.269 -4.932 1.00 0.50 H new ATOM 0 HD12 ILE A 52 10.028 2.774 -5.813 1.00 0.50 H new ATOM 0 HD13 ILE A 52 9.935 2.399 -4.076 1.00 0.50 H new ATOM 784 N PHE A 53 6.221 -2.192 -6.002 1.00 0.33 N ATOM 785 CA PHE A 53 4.895 -2.402 -6.543 1.00 0.37 C ATOM 786 C PHE A 53 3.884 -2.759 -5.467 1.00 0.31 C ATOM 787 O PHE A 53 4.217 -3.407 -4.463 1.00 0.29 O ATOM 788 CB PHE A 53 4.926 -3.483 -7.645 1.00 0.48 C ATOM 789 CG PHE A 53 5.517 -4.808 -7.224 1.00 1.06 C ATOM 790 CD1 PHE A 53 6.863 -5.066 -7.412 1.00 1.95 C ATOM 791 CD2 PHE A 53 4.727 -5.792 -6.647 1.00 1.15 C ATOM 792 CE1 PHE A 53 7.412 -6.269 -7.032 1.00 2.87 C ATOM 793 CE2 PHE A 53 5.270 -6.999 -6.264 1.00 2.02 C ATOM 794 CZ PHE A 53 6.616 -7.238 -6.457 1.00 2.89 C ATOM 0 H PHE A 53 6.505 -2.861 -5.287 1.00 0.33 H new ATOM 0 HA PHE A 53 4.572 -1.459 -6.983 1.00 0.37 H new ATOM 0 HB2 PHE A 53 3.908 -3.652 -7.996 1.00 0.48 H new ATOM 0 HB3 PHE A 53 5.496 -3.101 -8.492 1.00 0.48 H new ATOM 0 HD1 PHE A 53 7.492 -4.313 -7.863 1.00 1.95 H new ATOM 0 HD2 PHE A 53 3.673 -5.610 -6.496 1.00 1.15 H new ATOM 0 HE1 PHE A 53 8.465 -6.455 -7.184 1.00 2.87 H new ATOM 0 HE2 PHE A 53 4.645 -7.756 -5.814 1.00 2.02 H new ATOM 0 HZ PHE A 53 7.045 -8.183 -6.158 1.00 2.89 H new ATOM 804 N THR A 54 2.669 -2.303 -5.654 1.00 0.35 N ATOM 805 CA THR A 54 1.593 -2.624 -4.758 1.00 0.35 C ATOM 806 C THR A 54 1.002 -3.973 -5.168 1.00 0.35 C ATOM 807 O THR A 54 0.453 -4.114 -6.264 1.00 0.40 O ATOM 808 CB THR A 54 0.498 -1.542 -4.827 1.00 0.39 C ATOM 809 OG1 THR A 54 1.099 -0.258 -4.662 1.00 0.43 O ATOM 810 CG2 THR A 54 -0.534 -1.743 -3.731 1.00 0.44 C ATOM 0 H THR A 54 2.402 -1.700 -6.432 1.00 0.35 H new ATOM 0 HA THR A 54 1.972 -2.671 -3.737 1.00 0.35 H new ATOM 0 HB THR A 54 0.002 -1.613 -5.795 1.00 0.39 H new ATOM 0 HG1 THR A 54 1.505 0.024 -5.508 1.00 0.43 H new ATOM 0 HG21 THR A 54 -1.296 -0.967 -3.802 1.00 0.44 H new ATOM 0 HG22 THR A 54 -1.001 -2.721 -3.846 1.00 0.44 H new ATOM 0 HG23 THR A 54 -0.047 -1.686 -2.758 1.00 0.44 H new ATOM 818 N GLU A 55 1.148 -4.948 -4.328 1.00 0.36 N ATOM 819 CA GLU A 55 0.653 -6.265 -4.599 1.00 0.42 C ATOM 820 C GLU A 55 -0.516 -6.548 -3.669 1.00 0.44 C ATOM 821 O GLU A 55 -0.410 -6.355 -2.463 1.00 0.57 O ATOM 822 CB GLU A 55 1.786 -7.275 -4.401 1.00 0.60 C ATOM 823 CG GLU A 55 1.433 -8.702 -4.756 1.00 1.21 C ATOM 824 CD GLU A 55 2.636 -9.607 -4.744 1.00 1.38 C ATOM 825 OE1 GLU A 55 3.196 -9.876 -5.836 1.00 1.67 O ATOM 826 OE2 GLU A 55 3.055 -10.074 -3.657 1.00 2.04 O ATOM 0 H GLU A 55 1.617 -4.854 -3.427 1.00 0.36 H new ATOM 0 HA GLU A 55 0.303 -6.346 -5.628 1.00 0.42 H new ATOM 0 HB2 GLU A 55 2.639 -6.966 -5.005 1.00 0.60 H new ATOM 0 HB3 GLU A 55 2.105 -7.243 -3.359 1.00 0.60 H new ATOM 0 HG2 GLU A 55 0.692 -9.077 -4.050 1.00 1.21 H new ATOM 0 HG3 GLU A 55 0.973 -8.725 -5.744 1.00 1.21 H new ATOM 833 N PHE A 56 -1.626 -6.945 -4.220 1.00 0.52 N ATOM 834 CA PHE A 56 -2.806 -7.231 -3.430 1.00 0.62 C ATOM 835 C PHE A 56 -2.933 -8.722 -3.224 1.00 0.73 C ATOM 836 O PHE A 56 -2.475 -9.513 -4.058 1.00 0.87 O ATOM 837 CB PHE A 56 -4.068 -6.683 -4.114 1.00 0.68 C ATOM 838 CG PHE A 56 -4.087 -5.185 -4.258 1.00 0.63 C ATOM 839 CD1 PHE A 56 -4.675 -4.399 -3.286 1.00 0.69 C ATOM 840 CD2 PHE A 56 -3.515 -4.562 -5.361 1.00 0.61 C ATOM 841 CE1 PHE A 56 -4.696 -3.029 -3.405 1.00 0.69 C ATOM 842 CE2 PHE A 56 -3.533 -3.189 -5.486 1.00 0.59 C ATOM 843 CZ PHE A 56 -4.124 -2.418 -4.505 1.00 0.61 C ATOM 0 H PHE A 56 -1.747 -7.082 -5.224 1.00 0.52 H new ATOM 0 HA PHE A 56 -2.703 -6.740 -2.462 1.00 0.62 H new ATOM 0 HB2 PHE A 56 -4.157 -7.134 -5.103 1.00 0.68 H new ATOM 0 HB3 PHE A 56 -4.942 -6.994 -3.542 1.00 0.68 H new ATOM 0 HD1 PHE A 56 -5.124 -4.866 -2.422 1.00 0.69 H new ATOM 0 HD2 PHE A 56 -3.050 -5.161 -6.130 1.00 0.61 H new ATOM 0 HE1 PHE A 56 -5.161 -2.429 -2.637 1.00 0.69 H new ATOM 0 HE2 PHE A 56 -3.086 -2.718 -6.349 1.00 0.59 H new ATOM 0 HZ PHE A 56 -4.139 -1.342 -4.597 1.00 0.61 H new ATOM 853 N LEU A 57 -3.530 -9.113 -2.132 1.00 0.77 N ATOM 854 CA LEU A 57 -3.727 -10.502 -1.853 1.00 0.93 C ATOM 855 C LEU A 57 -5.214 -10.739 -1.735 1.00 1.04 C ATOM 856 O LEU A 57 -5.952 -9.852 -1.298 1.00 1.04 O ATOM 857 CB LEU A 57 -2.910 -10.950 -0.603 1.00 1.01 C ATOM 858 CG LEU A 57 -3.299 -10.411 0.777 1.00 0.99 C ATOM 859 CD1 LEU A 57 -4.446 -11.215 1.382 1.00 1.25 C ATOM 860 CD2 LEU A 57 -2.096 -10.408 1.701 1.00 1.16 C ATOM 0 H LEU A 57 -3.890 -8.480 -1.417 1.00 0.77 H new ATOM 0 HA LEU A 57 -3.346 -11.125 -2.662 1.00 0.93 H new ATOM 0 HB2 LEU A 57 -2.955 -12.038 -0.555 1.00 1.01 H new ATOM 0 HB3 LEU A 57 -1.868 -10.681 -0.778 1.00 1.01 H new ATOM 0 HG LEU A 57 -3.645 -9.385 0.654 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -4.699 -10.808 2.361 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -5.316 -11.156 0.729 1.00 1.25 H new ATOM 0 HD13 LEU A 57 -4.143 -12.257 1.489 1.00 1.25 H new ATOM 0 HD21 LEU A 57 -2.388 -10.022 2.678 1.00 1.16 H new ATOM 0 HD22 LEU A 57 -1.719 -11.425 1.810 1.00 1.16 H new ATOM 0 HD23 LEU A 57 -1.315 -9.775 1.280 1.00 1.16 H new ATOM 872 N GLU A 58 -5.616 -11.918 -2.158 1.00 1.18 N ATOM 873 CA GLU A 58 -7.014 -12.349 -2.298 1.00 1.31 C ATOM 874 C GLU A 58 -7.902 -12.048 -1.080 1.00 1.24 C ATOM 875 O GLU A 58 -7.785 -12.698 -0.033 1.00 1.32 O ATOM 876 CB GLU A 58 -7.092 -13.854 -2.632 1.00 1.61 C ATOM 877 CG GLU A 58 -6.496 -14.268 -3.988 1.00 2.01 C ATOM 878 CD GLU A 58 -5.009 -14.035 -4.095 1.00 2.65 C ATOM 879 OE1 GLU A 58 -4.237 -14.776 -3.455 1.00 3.36 O ATOM 880 OE2 GLU A 58 -4.591 -13.077 -4.778 1.00 2.90 O ATOM 0 H GLU A 58 -4.955 -12.646 -2.430 1.00 1.18 H new ATOM 0 HA GLU A 58 -7.410 -11.754 -3.121 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -6.580 -14.409 -1.846 1.00 1.61 H new ATOM 0 HB3 GLU A 58 -8.138 -14.159 -2.607 1.00 1.61 H new ATOM 0 HG2 GLU A 58 -6.702 -15.325 -4.158 1.00 2.01 H new ATOM 0 HG3 GLU A 58 -6.999 -13.714 -4.780 1.00 2.01 H new ATOM 887 N PRO A 59 -8.785 -11.037 -1.201 1.00 1.21 N ATOM 888 CA PRO A 59 -9.759 -10.709 -0.181 1.00 1.25 C ATOM 889 C PRO A 59 -11.025 -11.546 -0.367 1.00 1.26 C ATOM 890 O PRO A 59 -11.532 -11.697 -1.501 1.00 1.35 O ATOM 891 CB PRO A 59 -10.063 -9.216 -0.427 1.00 1.37 C ATOM 892 CG PRO A 59 -9.315 -8.836 -1.676 1.00 1.39 C ATOM 893 CD PRO A 59 -8.887 -10.115 -2.335 1.00 1.30 C ATOM 0 HA PRO A 59 -9.398 -10.907 0.828 1.00 1.25 H new ATOM 0 HB2 PRO A 59 -11.134 -9.052 -0.549 1.00 1.37 H new ATOM 0 HB3 PRO A 59 -9.742 -8.609 0.419 1.00 1.37 H new ATOM 0 HG2 PRO A 59 -9.949 -8.252 -2.343 1.00 1.39 H new ATOM 0 HG3 PRO A 59 -8.450 -8.218 -1.435 1.00 1.39 H new ATOM 0 HD2 PRO A 59 -9.615 -10.456 -3.071 1.00 1.30 H new ATOM 0 HD3 PRO A 59 -7.936 -10.005 -2.855 1.00 1.30 H new ATOM 901 N ALA A 60 -11.540 -12.066 0.717 1.00 1.29 N ATOM 902 CA ALA A 60 -12.695 -12.921 0.684 1.00 1.40 C ATOM 903 C ALA A 60 -13.944 -12.074 0.506 1.00 1.40 C ATOM 904 O ALA A 60 -13.951 -10.879 0.811 1.00 1.33 O ATOM 905 CB ALA A 60 -12.763 -13.726 1.975 1.00 1.53 C ATOM 0 H ALA A 60 -11.166 -11.906 1.653 1.00 1.29 H new ATOM 0 HA ALA A 60 -12.625 -13.615 -0.154 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -13.638 -14.376 1.953 1.00 1.53 H new ATOM 0 HB2 ALA A 60 -11.863 -14.333 2.073 1.00 1.53 H new ATOM 0 HB3 ALA A 60 -12.837 -13.046 2.824 1.00 1.53 H new ATOM 911 N ALA A 61 -15.008 -12.703 0.036 1.00 1.55 N ATOM 912 CA ALA A 61 -16.257 -12.011 -0.289 1.00 1.65 C ATOM 913 C ALA A 61 -17.010 -11.546 0.957 1.00 1.59 C ATOM 914 O ALA A 61 -18.064 -10.931 0.863 1.00 1.70 O ATOM 915 CB ALA A 61 -17.146 -12.887 -1.156 1.00 1.91 C ATOM 0 H ALA A 61 -15.037 -13.708 -0.133 1.00 1.55 H new ATOM 0 HA ALA A 61 -15.987 -11.116 -0.850 1.00 1.65 H new ATOM 0 HB1 ALA A 61 -18.069 -12.354 -1.386 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -16.626 -13.129 -2.083 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -17.382 -13.807 -0.622 1.00 1.91 H new ATOM 921 N ASN A 62 -16.486 -11.882 2.112 1.00 1.52 N ATOM 922 CA ASN A 62 -17.038 -11.423 3.387 1.00 1.56 C ATOM 923 C ASN A 62 -16.177 -10.313 3.952 1.00 1.33 C ATOM 924 O ASN A 62 -16.345 -9.898 5.102 1.00 1.40 O ATOM 925 CB ASN A 62 -17.139 -12.562 4.423 1.00 1.82 C ATOM 926 CG ASN A 62 -18.218 -13.584 4.124 1.00 2.72 C ATOM 927 OD1 ASN A 62 -17.986 -14.560 3.410 1.00 3.49 O ATOM 928 ND2 ASN A 62 -19.387 -13.395 4.677 1.00 3.19 N ATOM 0 H ASN A 62 -15.665 -12.480 2.206 1.00 1.52 H new ATOM 0 HA ASN A 62 -18.046 -11.058 3.189 1.00 1.56 H new ATOM 0 HB2 ASN A 62 -16.177 -13.072 4.479 1.00 1.82 H new ATOM 0 HB3 ASN A 62 -17.328 -12.128 5.405 1.00 1.82 H new ATOM 0 HD21 ASN A 62 -20.139 -14.067 4.522 1.00 3.19 H new ATOM 0 HD22 ASN A 62 -19.547 -12.576 5.263 1.00 3.19 H new ATOM 935 N GLU A 63 -15.245 -9.831 3.163 1.00 1.20 N ATOM 936 CA GLU A 63 -14.366 -8.788 3.615 1.00 1.07 C ATOM 937 C GLU A 63 -14.541 -7.537 2.797 1.00 0.90 C ATOM 938 O GLU A 63 -14.563 -7.586 1.571 1.00 0.97 O ATOM 939 CB GLU A 63 -12.902 -9.217 3.531 1.00 1.16 C ATOM 940 CG GLU A 63 -12.549 -10.441 4.341 1.00 1.31 C ATOM 941 CD GLU A 63 -11.086 -10.767 4.254 1.00 1.42 C ATOM 942 OE1 GLU A 63 -10.308 -10.384 5.155 1.00 1.48 O ATOM 943 OE2 GLU A 63 -10.681 -11.415 3.282 1.00 1.89 O ATOM 0 H GLU A 63 -15.079 -10.146 2.207 1.00 1.20 H new ATOM 0 HA GLU A 63 -14.628 -8.588 4.654 1.00 1.07 H new ATOM 0 HB2 GLU A 63 -12.654 -9.407 2.487 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -12.276 -8.388 3.862 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -12.823 -10.278 5.383 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -13.132 -11.291 3.987 1.00 1.31 H new ATOM 950 N THR A 64 -14.675 -6.432 3.465 1.00 0.80 N ATOM 951 CA THR A 64 -14.657 -5.140 2.826 1.00 0.74 C ATOM 952 C THR A 64 -13.247 -4.576 2.951 1.00 0.59 C ATOM 953 O THR A 64 -12.942 -3.465 2.525 1.00 0.61 O ATOM 954 CB THR A 64 -15.672 -4.210 3.497 1.00 0.90 C ATOM 955 OG1 THR A 64 -15.572 -4.365 4.929 1.00 1.30 O ATOM 956 CG2 THR A 64 -17.085 -4.539 3.044 1.00 1.15 C ATOM 0 H THR A 64 -14.801 -6.395 4.476 1.00 0.80 H new ATOM 0 HA THR A 64 -14.930 -5.229 1.774 1.00 0.74 H new ATOM 0 HB THR A 64 -15.453 -3.180 3.214 1.00 0.90 H new ATOM 0 HG1 THR A 64 -14.685 -4.076 5.228 1.00 1.30 H new ATOM 0 HG21 THR A 64 -17.790 -3.866 3.533 1.00 1.15 H new ATOM 0 HG22 THR A 64 -17.158 -4.418 1.963 1.00 1.15 H new ATOM 0 HG23 THR A 64 -17.322 -5.569 3.311 1.00 1.15 H new ATOM 964 N VAL A 65 -12.392 -5.385 3.551 1.00 0.53 N ATOM 965 CA VAL A 65 -11.027 -5.045 3.763 1.00 0.45 C ATOM 966 C VAL A 65 -10.212 -5.599 2.624 1.00 0.42 C ATOM 967 O VAL A 65 -10.321 -6.781 2.277 1.00 0.49 O ATOM 968 CB VAL A 65 -10.481 -5.628 5.086 1.00 0.52 C ATOM 969 CG1 VAL A 65 -9.103 -5.072 5.391 1.00 0.50 C ATOM 970 CG2 VAL A 65 -11.439 -5.386 6.231 1.00 0.61 C ATOM 0 H VAL A 65 -12.647 -6.307 3.904 1.00 0.53 H new ATOM 0 HA VAL A 65 -10.955 -3.959 3.817 1.00 0.45 H new ATOM 0 HB VAL A 65 -10.387 -6.707 4.964 1.00 0.52 H new ATOM 0 HG11 VAL A 65 -8.738 -5.496 6.327 1.00 0.50 H new ATOM 0 HG12 VAL A 65 -8.419 -5.332 4.584 1.00 0.50 H new ATOM 0 HG13 VAL A 65 -9.160 -3.987 5.482 1.00 0.50 H new ATOM 0 HG21 VAL A 65 -11.025 -5.808 7.147 1.00 0.61 H new ATOM 0 HG22 VAL A 65 -11.588 -4.314 6.361 1.00 0.61 H new ATOM 0 HG23 VAL A 65 -12.395 -5.861 6.012 1.00 0.61 H new ATOM 980 N ARG A 66 -9.436 -4.764 2.043 1.00 0.37 N ATOM 981 CA ARG A 66 -8.571 -5.121 0.965 1.00 0.36 C ATOM 982 C ARG A 66 -7.197 -5.306 1.557 1.00 0.34 C ATOM 983 O ARG A 66 -6.660 -4.391 2.201 1.00 0.41 O ATOM 984 CB ARG A 66 -8.557 -4.002 -0.064 1.00 0.42 C ATOM 985 CG ARG A 66 -9.939 -3.649 -0.597 1.00 1.13 C ATOM 986 CD ARG A 66 -9.929 -2.324 -1.338 1.00 1.10 C ATOM 987 NE ARG A 66 -9.032 -2.323 -2.499 1.00 0.82 N ATOM 988 CZ ARG A 66 -8.481 -1.244 -3.047 1.00 1.15 C ATOM 989 NH1 ARG A 66 -8.567 -0.068 -2.442 1.00 1.61 N ATOM 990 NH2 ARG A 66 -7.816 -1.350 -4.176 1.00 1.84 N ATOM 0 H ARG A 66 -9.377 -3.780 2.307 1.00 0.37 H new ATOM 0 HA ARG A 66 -8.903 -6.032 0.468 1.00 0.36 H new ATOM 0 HB2 ARG A 66 -8.111 -3.114 0.383 1.00 0.42 H new ATOM 0 HB3 ARG A 66 -7.918 -4.294 -0.898 1.00 0.42 H new ATOM 0 HG2 ARG A 66 -10.285 -4.438 -1.265 1.00 1.13 H new ATOM 0 HG3 ARG A 66 -10.647 -3.599 0.230 1.00 1.13 H new ATOM 0 HD2 ARG A 66 -10.941 -2.091 -1.668 1.00 1.10 H new ATOM 0 HD3 ARG A 66 -9.627 -1.533 -0.652 1.00 1.10 H new ATOM 0 HE ARG A 66 -8.813 -3.225 -2.921 1.00 0.82 H new ATOM 0 HH11 ARG A 66 -9.058 0.013 -1.551 1.00 1.61 H new ATOM 0 HH12 ARG A 66 -8.142 0.756 -2.867 1.00 1.61 H new ATOM 0 HH21 ARG A 66 -7.723 -2.259 -4.630 1.00 1.84 H new ATOM 0 HH22 ARG A 66 -7.393 -0.524 -4.598 1.00 1.84 H new ATOM 1004 N HIS A 67 -6.656 -6.473 1.395 1.00 0.35 N ATOM 1005 CA HIS A 67 -5.382 -6.802 1.993 1.00 0.39 C ATOM 1006 C HIS A 67 -4.323 -6.765 0.926 1.00 0.35 C ATOM 1007 O HIS A 67 -4.571 -7.179 -0.210 1.00 0.46 O ATOM 1008 CB HIS A 67 -5.415 -8.203 2.612 1.00 0.53 C ATOM 1009 CG HIS A 67 -6.451 -8.431 3.672 1.00 0.69 C ATOM 1010 ND1 HIS A 67 -6.163 -8.516 5.011 1.00 1.08 N ATOM 1011 CD2 HIS A 67 -7.779 -8.648 3.567 1.00 0.72 C ATOM 1012 CE1 HIS A 67 -7.266 -8.781 5.675 1.00 1.16 C ATOM 1013 NE2 HIS A 67 -8.257 -8.862 4.820 1.00 0.90 N ATOM 0 H HIS A 67 -7.075 -7.226 0.850 1.00 0.35 H new ATOM 0 HA HIS A 67 -5.165 -6.078 2.779 1.00 0.39 H new ATOM 0 HB2 HIS A 67 -5.576 -8.927 1.813 1.00 0.53 H new ATOM 0 HB3 HIS A 67 -4.435 -8.412 3.040 1.00 0.53 H new ATOM 0 HD2 HIS A 67 -8.356 -8.651 2.654 1.00 0.72 H new ATOM 0 HE1 HIS A 67 -7.343 -8.910 6.744 1.00 1.16 H new ATOM 0 HE2 HIS A 67 -9.230 -9.055 5.058 1.00 0.90 H new ATOM 1022 N GLY A 68 -3.169 -6.275 1.258 1.00 0.30 N ATOM 1023 CA GLY A 68 -2.123 -6.222 0.293 1.00 0.31 C ATOM 1024 C GLY A 68 -0.803 -5.915 0.917 1.00 0.24 C ATOM 1025 O GLY A 68 -0.687 -5.848 2.152 1.00 0.26 O ATOM 0 H GLY A 68 -2.932 -5.910 2.181 1.00 0.30 H new ATOM 0 HA2 GLY A 68 -2.064 -7.176 -0.230 1.00 0.31 H new ATOM 0 HA3 GLY A 68 -2.357 -5.463 -0.454 1.00 0.31 H new ATOM 1029 N CYS A 69 0.173 -5.725 0.091 1.00 0.21 N ATOM 1030 CA CYS A 69 1.500 -5.417 0.506 1.00 0.20 C ATOM 1031 C CYS A 69 2.205 -4.589 -0.553 1.00 0.19 C ATOM 1032 O CYS A 69 2.097 -4.878 -1.746 1.00 0.22 O ATOM 1033 CB CYS A 69 2.280 -6.716 0.735 1.00 0.25 C ATOM 1034 SG CYS A 69 4.072 -6.480 0.933 1.00 0.36 S ATOM 0 H CYS A 69 0.064 -5.782 -0.922 1.00 0.21 H new ATOM 0 HA CYS A 69 1.454 -4.845 1.433 1.00 0.20 H new ATOM 0 HB2 CYS A 69 1.889 -7.210 1.624 1.00 0.25 H new ATOM 0 HB3 CYS A 69 2.103 -7.387 -0.106 1.00 0.25 H new ATOM 1039 N LEU A 70 2.875 -3.542 -0.136 1.00 0.20 N ATOM 1040 CA LEU A 70 3.751 -2.831 -1.029 1.00 0.22 C ATOM 1041 C LEU A 70 5.042 -3.597 -0.970 1.00 0.23 C ATOM 1042 O LEU A 70 5.762 -3.551 0.042 1.00 0.24 O ATOM 1043 CB LEU A 70 3.972 -1.382 -0.586 1.00 0.24 C ATOM 1044 CG LEU A 70 4.839 -0.518 -1.519 1.00 0.25 C ATOM 1045 CD1 LEU A 70 4.188 -0.351 -2.874 1.00 0.26 C ATOM 1046 CD2 LEU A 70 5.101 0.835 -0.905 1.00 0.28 C ATOM 0 H LEU A 70 2.830 -3.167 0.811 1.00 0.20 H new ATOM 0 HA LEU A 70 3.333 -2.770 -2.034 1.00 0.22 H new ATOM 0 HB2 LEU A 70 2.999 -0.903 -0.479 1.00 0.24 H new ATOM 0 HB3 LEU A 70 4.433 -1.391 0.402 1.00 0.24 H new ATOM 0 HG LEU A 70 5.789 -1.035 -1.655 1.00 0.25 H new ATOM 0 HD11 LEU A 70 4.825 0.264 -3.510 1.00 0.26 H new ATOM 0 HD12 LEU A 70 4.051 -1.329 -3.335 1.00 0.26 H new ATOM 0 HD13 LEU A 70 3.219 0.133 -2.755 1.00 0.26 H new ATOM 0 HD21 LEU A 70 5.716 1.429 -1.582 1.00 0.28 H new ATOM 0 HD22 LEU A 70 4.154 1.346 -0.733 1.00 0.28 H new ATOM 0 HD23 LEU A 70 5.623 0.709 0.043 1.00 0.28 H new ATOM 1058 N ARG A 71 5.302 -4.350 -1.983 1.00 0.30 N ATOM 1059 CA ARG A 71 6.404 -5.240 -1.950 1.00 0.35 C ATOM 1060 C ARG A 71 7.495 -4.777 -2.868 1.00 0.36 C ATOM 1061 O ARG A 71 7.258 -4.476 -4.036 1.00 0.42 O ATOM 1062 CB ARG A 71 5.953 -6.681 -2.261 1.00 0.51 C ATOM 1063 CG ARG A 71 7.063 -7.715 -2.136 1.00 1.20 C ATOM 1064 CD ARG A 71 6.537 -9.149 -2.195 1.00 1.20 C ATOM 1065 NE ARG A 71 5.893 -9.499 -3.475 1.00 1.43 N ATOM 1066 CZ ARG A 71 6.463 -10.238 -4.446 1.00 1.80 C ATOM 1067 NH1 ARG A 71 7.715 -10.669 -4.314 1.00 1.98 N ATOM 1068 NH2 ARG A 71 5.768 -10.569 -5.529 1.00 2.68 N ATOM 0 H ARG A 71 4.761 -4.365 -2.848 1.00 0.30 H new ATOM 0 HA ARG A 71 6.817 -5.243 -0.941 1.00 0.35 H new ATOM 0 HB2 ARG A 71 5.141 -6.951 -1.586 1.00 0.51 H new ATOM 0 HB3 ARG A 71 5.551 -6.715 -3.273 1.00 0.51 H new ATOM 0 HG2 ARG A 71 7.787 -7.564 -2.936 1.00 1.20 H new ATOM 0 HG3 ARG A 71 7.592 -7.564 -1.195 1.00 1.20 H new ATOM 0 HD2 ARG A 71 7.364 -9.836 -2.016 1.00 1.20 H new ATOM 0 HD3 ARG A 71 5.820 -9.296 -1.387 1.00 1.20 H new ATOM 0 HE ARG A 71 4.946 -9.156 -3.637 1.00 1.43 H new ATOM 0 HH11 ARG A 71 8.247 -10.440 -3.475 1.00 1.98 H new ATOM 0 HH12 ARG A 71 8.142 -11.228 -5.052 1.00 1.98 H new ATOM 0 HH21 ARG A 71 4.800 -10.263 -5.627 1.00 2.68 H new ATOM 0 HH22 ARG A 71 6.203 -11.129 -6.263 1.00 2.68 H new ATOM 1082 N LEU A 72 8.667 -4.675 -2.323 1.00 0.37 N ATOM 1083 CA LEU A 72 9.818 -4.309 -3.072 1.00 0.42 C ATOM 1084 C LEU A 72 10.650 -5.536 -3.327 1.00 0.44 C ATOM 1085 O LEU A 72 11.199 -6.154 -2.397 1.00 0.49 O ATOM 1086 CB LEU A 72 10.659 -3.204 -2.391 1.00 0.50 C ATOM 1087 CG LEU A 72 10.027 -1.798 -2.312 1.00 0.70 C ATOM 1088 CD1 LEU A 72 8.957 -1.691 -1.238 1.00 1.23 C ATOM 1089 CD2 LEU A 72 11.079 -0.730 -2.129 1.00 0.61 C ATOM 0 H LEU A 72 8.849 -4.846 -1.334 1.00 0.37 H new ATOM 0 HA LEU A 72 9.478 -3.884 -4.017 1.00 0.42 H new ATOM 0 HB2 LEU A 72 10.891 -3.530 -1.377 1.00 0.50 H new ATOM 0 HB3 LEU A 72 11.606 -3.121 -2.924 1.00 0.50 H new ATOM 0 HG LEU A 72 9.532 -1.634 -3.269 1.00 0.70 H new ATOM 0 HD11 LEU A 72 8.549 -0.680 -1.230 1.00 1.23 H new ATOM 0 HD12 LEU A 72 8.158 -2.403 -1.448 1.00 1.23 H new ATOM 0 HD13 LEU A 72 9.395 -1.913 -0.265 1.00 1.23 H new ATOM 0 HD21 LEU A 72 10.600 0.248 -2.077 1.00 0.61 H new ATOM 0 HD22 LEU A 72 11.628 -0.914 -1.206 1.00 0.61 H new ATOM 0 HD23 LEU A 72 11.770 -0.751 -2.972 1.00 0.61 H new ATOM 1101 N ASN A 73 10.683 -5.922 -4.590 1.00 0.56 N ATOM 1102 CA ASN A 73 11.446 -7.080 -5.044 1.00 0.72 C ATOM 1103 C ASN A 73 12.920 -6.821 -4.814 1.00 0.73 C ATOM 1104 O ASN A 73 13.647 -7.684 -4.322 1.00 0.87 O ATOM 1105 CB ASN A 73 11.163 -7.367 -6.533 1.00 0.90 C ATOM 1106 CG ASN A 73 11.903 -8.591 -7.085 1.00 1.41 C ATOM 1107 OD1 ASN A 73 12.195 -9.551 -6.363 1.00 2.18 O ATOM 1108 ND2 ASN A 73 12.178 -8.578 -8.361 1.00 1.84 N ATOM 0 H ASN A 73 10.180 -5.441 -5.336 1.00 0.56 H new ATOM 0 HA ASN A 73 11.144 -7.960 -4.476 1.00 0.72 H new ATOM 0 HB2 ASN A 73 10.091 -7.513 -6.667 1.00 0.90 H new ATOM 0 HB3 ASN A 73 11.441 -6.492 -7.120 1.00 0.90 H new ATOM 0 HD21 ASN A 73 12.647 -9.376 -8.790 1.00 1.84 H new ATOM 0 HD22 ASN A 73 11.924 -7.770 -8.929 1.00 1.84 H new ATOM 1115 N GLN A 74 13.340 -5.618 -5.131 1.00 0.66 N ATOM 1116 CA GLN A 74 14.695 -5.177 -4.906 1.00 0.72 C ATOM 1117 C GLN A 74 14.660 -3.861 -4.161 1.00 0.66 C ATOM 1118 O GLN A 74 14.162 -2.865 -4.683 1.00 0.69 O ATOM 1119 CB GLN A 74 15.480 -5.040 -6.220 1.00 0.86 C ATOM 1120 CG GLN A 74 15.708 -6.369 -6.920 1.00 1.58 C ATOM 1121 CD GLN A 74 16.536 -7.339 -6.082 1.00 2.11 C ATOM 1122 OE1 GLN A 74 17.492 -6.832 -5.337 1.00 2.82 O flip ATOM 1123 NE2 GLN A 74 16.340 -8.548 -6.142 1.00 2.58 N flip ATOM 0 H GLN A 74 12.742 -4.910 -5.558 1.00 0.66 H new ATOM 0 HA GLN A 74 15.214 -5.928 -4.310 1.00 0.72 H new ATOM 0 HB2 GLN A 74 14.940 -4.371 -6.890 1.00 0.86 H new ATOM 0 HB3 GLN A 74 16.444 -4.575 -6.013 1.00 0.86 H new ATOM 0 HG2 GLN A 74 14.745 -6.824 -7.150 1.00 1.58 H new ATOM 0 HG3 GLN A 74 16.213 -6.193 -7.870 1.00 1.58 H new ATOM 0 HE21 GLN A 74 15.590 -8.915 -6.729 1.00 2.58 H new ATOM 0 HE22 GLN A 74 16.926 -9.187 -5.605 1.00 2.58 H new ATOM 1132 N PRO A 75 15.124 -3.849 -2.916 1.00 0.75 N ATOM 1133 CA PRO A 75 15.124 -2.650 -2.107 1.00 0.84 C ATOM 1134 C PRO A 75 16.288 -1.731 -2.454 1.00 0.81 C ATOM 1135 O PRO A 75 17.446 -2.157 -2.536 1.00 0.83 O ATOM 1136 CB PRO A 75 15.277 -3.189 -0.686 1.00 1.06 C ATOM 1137 CG PRO A 75 16.063 -4.450 -0.845 1.00 1.25 C ATOM 1138 CD PRO A 75 15.687 -5.013 -2.188 1.00 0.93 C ATOM 0 HA PRO A 75 14.227 -2.049 -2.256 1.00 0.84 H new ATOM 0 HB2 PRO A 75 15.796 -2.476 -0.045 1.00 1.06 H new ATOM 0 HB3 PRO A 75 14.307 -3.381 -0.228 1.00 1.06 H new ATOM 0 HG2 PRO A 75 17.133 -4.251 -0.792 1.00 1.25 H new ATOM 0 HG3 PRO A 75 15.831 -5.156 -0.048 1.00 1.25 H new ATOM 0 HD2 PRO A 75 16.553 -5.427 -2.705 1.00 0.93 H new ATOM 0 HD3 PRO A 75 14.957 -5.817 -2.094 1.00 0.93 H new ATOM 1146 N THR A 76 15.994 -0.498 -2.664 1.00 0.86 N ATOM 1147 CA THR A 76 16.995 0.466 -2.936 1.00 0.90 C ATOM 1148 C THR A 76 17.142 1.365 -1.706 1.00 0.84 C ATOM 1149 O THR A 76 16.149 1.706 -1.042 1.00 0.79 O ATOM 1150 CB THR A 76 16.595 1.274 -4.192 1.00 1.07 C ATOM 1151 OG1 THR A 76 15.246 1.747 -4.053 1.00 1.17 O ATOM 1152 CG2 THR A 76 16.699 0.407 -5.443 1.00 1.22 C ATOM 0 H THR A 76 15.044 -0.128 -2.651 1.00 0.86 H new ATOM 0 HA THR A 76 17.955 -0.008 -3.138 1.00 0.90 H new ATOM 0 HB THR A 76 17.275 2.120 -4.291 1.00 1.07 H new ATOM 0 HG1 THR A 76 14.941 2.120 -4.906 1.00 1.17 H new ATOM 0 HG21 THR A 76 16.414 0.993 -6.317 1.00 1.22 H new ATOM 0 HG22 THR A 76 17.725 0.058 -5.560 1.00 1.22 H new ATOM 0 HG23 THR A 76 16.033 -0.450 -5.348 1.00 1.22 H new ATOM 1160 N HIS A 77 18.385 1.744 -1.388 1.00 0.92 N ATOM 1161 CA HIS A 77 18.683 2.533 -0.182 1.00 0.94 C ATOM 1162 C HIS A 77 18.122 3.941 -0.299 1.00 0.81 C ATOM 1163 O HIS A 77 18.036 4.662 0.674 1.00 0.85 O ATOM 1164 CB HIS A 77 20.216 2.561 0.160 1.00 1.20 C ATOM 1165 CG HIS A 77 21.099 3.391 -0.758 1.00 1.36 C ATOM 1166 ND1 HIS A 77 21.777 2.875 -1.837 1.00 1.98 N ATOM 1167 CD2 HIS A 77 21.408 4.713 -0.733 1.00 1.62 C ATOM 1168 CE1 HIS A 77 22.448 3.833 -2.439 1.00 2.03 C ATOM 1169 NE2 HIS A 77 22.242 4.955 -1.793 1.00 1.72 N ATOM 0 H HIS A 77 19.205 1.517 -1.950 1.00 0.92 H new ATOM 0 HA HIS A 77 18.187 2.033 0.650 1.00 0.94 H new ATOM 0 HB2 HIS A 77 20.332 2.936 1.177 1.00 1.20 H new ATOM 0 HB3 HIS A 77 20.586 1.536 0.154 1.00 1.20 H new ATOM 0 HD2 HIS A 77 21.061 5.438 -0.012 1.00 1.62 H new ATOM 0 HE1 HIS A 77 23.065 3.715 -3.318 1.00 2.03 H new ATOM 0 HE2 HIS A 77 22.639 5.862 -2.040 1.00 1.72 H new ATOM 1178 N VAL A 78 17.756 4.318 -1.512 1.00 0.83 N ATOM 1179 CA VAL A 78 17.150 5.615 -1.768 1.00 0.92 C ATOM 1180 C VAL A 78 15.699 5.653 -1.272 1.00 0.90 C ATOM 1181 O VAL A 78 15.117 6.732 -1.134 1.00 1.08 O ATOM 1182 CB VAL A 78 17.183 5.995 -3.275 1.00 1.15 C ATOM 1183 CG1 VAL A 78 18.600 6.101 -3.780 1.00 1.33 C ATOM 1184 CG2 VAL A 78 16.403 5.007 -4.116 1.00 1.14 C ATOM 0 H VAL A 78 17.869 3.738 -2.343 1.00 0.83 H new ATOM 0 HA VAL A 78 17.745 6.344 -1.218 1.00 0.92 H new ATOM 0 HB VAL A 78 16.707 6.971 -3.368 1.00 1.15 H new ATOM 0 HG11 VAL A 78 18.591 6.368 -4.837 1.00 1.33 H new ATOM 0 HG12 VAL A 78 19.131 6.869 -3.217 1.00 1.33 H new ATOM 0 HG13 VAL A 78 19.104 5.143 -3.652 1.00 1.33 H new ATOM 0 HG21 VAL A 78 16.449 5.305 -5.163 1.00 1.14 H new ATOM 0 HG22 VAL A 78 16.834 4.012 -4.003 1.00 1.14 H new ATOM 0 HG23 VAL A 78 15.364 4.991 -3.788 1.00 1.14 H new ATOM 1194 N ASN A 79 15.119 4.481 -0.998 1.00 0.78 N ATOM 1195 CA ASN A 79 13.741 4.417 -0.525 1.00 0.90 C ATOM 1196 C ASN A 79 13.639 4.165 0.955 1.00 0.78 C ATOM 1197 O ASN A 79 12.655 3.618 1.445 1.00 0.96 O ATOM 1198 CB ASN A 79 12.880 3.430 -1.295 1.00 1.13 C ATOM 1199 CG ASN A 79 12.496 3.953 -2.644 1.00 1.40 C ATOM 1200 OD1 ASN A 79 11.512 4.669 -2.801 1.00 2.19 O ATOM 1201 ND2 ASN A 79 13.242 3.597 -3.620 1.00 1.22 N ATOM 0 H ASN A 79 15.579 3.576 -1.095 1.00 0.78 H new ATOM 0 HA ASN A 79 13.342 5.412 -0.721 1.00 0.90 H new ATOM 0 HB2 ASN A 79 13.421 2.491 -1.411 1.00 1.13 H new ATOM 0 HB3 ASN A 79 11.979 3.210 -0.722 1.00 1.13 H new ATOM 0 HD21 ASN A 79 13.027 3.909 -4.567 1.00 1.22 H new ATOM 0 HD22 ASN A 79 14.052 3.001 -3.452 1.00 1.22 H new ATOM 1208 N ASN A 80 14.660 4.549 1.669 1.00 0.64 N ATOM 1209 CA ASN A 80 14.659 4.439 3.119 1.00 0.59 C ATOM 1210 C ASN A 80 14.007 5.711 3.655 1.00 0.56 C ATOM 1211 O ASN A 80 14.695 6.684 4.002 1.00 0.88 O ATOM 1212 CB ASN A 80 16.115 4.300 3.633 1.00 0.72 C ATOM 1213 CG ASN A 80 16.247 4.004 5.135 1.00 1.05 C ATOM 1214 OD1 ASN A 80 15.422 4.397 5.957 1.00 1.96 O ATOM 1215 ND2 ASN A 80 17.304 3.311 5.499 1.00 1.43 N ATOM 0 H ASN A 80 15.514 4.945 1.276 1.00 0.64 H new ATOM 0 HA ASN A 80 14.109 3.560 3.456 1.00 0.59 H new ATOM 0 HB2 ASN A 80 16.607 3.502 3.076 1.00 0.72 H new ATOM 0 HB3 ASN A 80 16.653 5.222 3.411 1.00 0.72 H new ATOM 0 HD21 ASN A 80 17.454 3.088 6.483 1.00 1.43 H new ATOM 0 HD22 ASN A 80 17.974 2.996 4.797 1.00 1.43 H new ATOM 1222 N GLY A 81 12.692 5.735 3.667 1.00 0.46 N ATOM 1223 CA GLY A 81 11.999 6.928 4.053 1.00 0.49 C ATOM 1224 C GLY A 81 10.595 6.679 4.533 1.00 0.43 C ATOM 1225 O GLY A 81 10.257 5.580 4.985 1.00 0.40 O ATOM 0 H GLY A 81 12.094 4.948 3.416 1.00 0.46 H new ATOM 0 HA2 GLY A 81 12.561 7.426 4.843 1.00 0.49 H new ATOM 0 HA3 GLY A 81 11.968 7.611 3.204 1.00 0.49 H new ATOM 1229 N ASN A 82 9.768 7.679 4.396 1.00 0.45 N ATOM 1230 CA ASN A 82 8.429 7.644 4.929 1.00 0.44 C ATOM 1231 C ASN A 82 7.407 7.447 3.841 1.00 0.37 C ATOM 1232 O ASN A 82 7.279 8.274 2.926 1.00 0.46 O ATOM 1233 CB ASN A 82 8.120 8.929 5.683 1.00 0.56 C ATOM 1234 CG ASN A 82 6.739 8.918 6.320 1.00 1.27 C ATOM 1235 OD1 ASN A 82 5.739 9.307 5.699 1.00 2.23 O ATOM 1236 ND2 ASN A 82 6.672 8.511 7.553 1.00 1.65 N ATOM 0 H ASN A 82 10.002 8.545 3.910 1.00 0.45 H new ATOM 0 HA ASN A 82 8.375 6.798 5.614 1.00 0.44 H new ATOM 0 HB2 ASN A 82 8.872 9.081 6.458 1.00 0.56 H new ATOM 0 HB3 ASN A 82 8.193 9.774 4.998 1.00 0.56 H new ATOM 0 HD21 ASN A 82 5.776 8.505 8.040 1.00 1.65 H new ATOM 0 HD22 ASN A 82 7.516 8.198 8.033 1.00 1.65 H new ATOM 1243 N TYR A 83 6.675 6.385 3.960 1.00 0.29 N ATOM 1244 CA TYR A 83 5.636 6.045 3.039 1.00 0.27 C ATOM 1245 C TYR A 83 4.306 6.421 3.646 1.00 0.28 C ATOM 1246 O TYR A 83 4.058 6.183 4.828 1.00 0.47 O ATOM 1247 CB TYR A 83 5.652 4.541 2.743 1.00 0.34 C ATOM 1248 CG TYR A 83 6.860 4.048 1.971 1.00 0.38 C ATOM 1249 CD1 TYR A 83 6.719 3.580 0.678 1.00 0.60 C ATOM 1250 CD2 TYR A 83 8.135 4.045 2.530 1.00 0.49 C ATOM 1251 CE1 TYR A 83 7.800 3.122 -0.035 1.00 0.69 C ATOM 1252 CE2 TYR A 83 9.221 3.592 1.813 1.00 0.55 C ATOM 1253 CZ TYR A 83 9.041 3.130 0.533 1.00 0.60 C ATOM 1254 OH TYR A 83 10.106 2.676 -0.179 1.00 0.69 O ATOM 0 H TYR A 83 6.786 5.713 4.719 1.00 0.29 H new ATOM 0 HA TYR A 83 5.793 6.586 2.106 1.00 0.27 H new ATOM 0 HB2 TYR A 83 5.599 4.000 3.688 1.00 0.34 H new ATOM 0 HB3 TYR A 83 4.753 4.288 2.181 1.00 0.34 H new ATOM 0 HD1 TYR A 83 5.741 3.574 0.220 1.00 0.60 H new ATOM 0 HD2 TYR A 83 8.275 4.403 3.539 1.00 0.49 H new ATOM 0 HE1 TYR A 83 7.668 2.756 -1.043 1.00 0.69 H new ATOM 0 HE2 TYR A 83 10.206 3.600 2.255 1.00 0.55 H new ATOM 0 HH TYR A 83 10.456 1.862 0.239 1.00 0.69 H new ATOM 1264 N THR A 84 3.495 7.046 2.884 1.00 0.22 N ATOM 1265 CA THR A 84 2.182 7.397 3.303 1.00 0.23 C ATOM 1266 C THR A 84 1.197 6.783 2.319 1.00 0.22 C ATOM 1267 O THR A 84 1.375 6.913 1.106 1.00 0.26 O ATOM 1268 CB THR A 84 2.030 8.934 3.326 1.00 0.27 C ATOM 1269 OG1 THR A 84 3.107 9.502 4.099 1.00 0.34 O ATOM 1270 CG2 THR A 84 0.698 9.353 3.940 1.00 0.33 C ATOM 0 H THR A 84 3.722 7.337 1.933 1.00 0.22 H new ATOM 0 HA THR A 84 1.989 7.023 4.308 1.00 0.23 H new ATOM 0 HB THR A 84 2.061 9.297 2.299 1.00 0.27 H new ATOM 0 HG1 THR A 84 3.018 10.478 4.117 1.00 0.34 H new ATOM 0 HG21 THR A 84 0.624 10.440 3.941 1.00 0.33 H new ATOM 0 HG22 THR A 84 -0.120 8.934 3.355 1.00 0.33 H new ATOM 0 HG23 THR A 84 0.638 8.985 4.964 1.00 0.33 H new ATOM 1278 N LEU A 85 0.215 6.083 2.822 1.00 0.20 N ATOM 1279 CA LEU A 85 -0.775 5.475 1.975 1.00 0.19 C ATOM 1280 C LEU A 85 -2.014 6.322 1.985 1.00 0.18 C ATOM 1281 O LEU A 85 -2.581 6.603 3.050 1.00 0.19 O ATOM 1282 CB LEU A 85 -1.098 4.037 2.418 1.00 0.20 C ATOM 1283 CG LEU A 85 -2.126 3.278 1.569 1.00 0.20 C ATOM 1284 CD1 LEU A 85 -1.666 3.188 0.143 1.00 0.21 C ATOM 1285 CD2 LEU A 85 -2.350 1.890 2.120 1.00 0.22 C ATOM 0 H LEU A 85 0.080 5.920 3.820 1.00 0.20 H new ATOM 0 HA LEU A 85 -0.377 5.414 0.962 1.00 0.19 H new ATOM 0 HB2 LEU A 85 -0.170 3.465 2.424 1.00 0.20 H new ATOM 0 HB3 LEU A 85 -1.460 4.069 3.446 1.00 0.20 H new ATOM 0 HG LEU A 85 -3.066 3.828 1.605 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -2.407 2.647 -0.445 1.00 0.21 H new ATOM 0 HD12 LEU A 85 -1.543 4.192 -0.264 1.00 0.21 H new ATOM 0 HD13 LEU A 85 -0.713 2.660 0.101 1.00 0.21 H new ATOM 0 HD21 LEU A 85 -3.082 1.368 1.504 1.00 0.22 H new ATOM 0 HD22 LEU A 85 -1.410 1.339 2.111 1.00 0.22 H new ATOM 0 HD23 LEU A 85 -2.720 1.960 3.143 1.00 0.22 H new ATOM 1297 N LEU A 86 -2.381 6.776 0.831 1.00 0.20 N ATOM 1298 CA LEU A 86 -3.546 7.576 0.653 1.00 0.22 C ATOM 1299 C LEU A 86 -4.562 6.755 -0.092 1.00 0.22 C ATOM 1300 O LEU A 86 -4.217 6.040 -1.038 1.00 0.27 O ATOM 1301 CB LEU A 86 -3.248 8.861 -0.157 1.00 0.28 C ATOM 1302 CG LEU A 86 -2.245 9.888 0.417 1.00 0.32 C ATOM 1303 CD1 LEU A 86 -2.584 10.268 1.841 1.00 0.36 C ATOM 1304 CD2 LEU A 86 -0.804 9.427 0.293 1.00 0.32 C ATOM 0 H LEU A 86 -1.867 6.597 -0.032 1.00 0.20 H new ATOM 0 HA LEU A 86 -3.913 7.880 1.633 1.00 0.22 H new ATOM 0 HB2 LEU A 86 -2.883 8.556 -1.138 1.00 0.28 H new ATOM 0 HB3 LEU A 86 -4.194 9.378 -0.316 1.00 0.28 H new ATOM 0 HG LEU A 86 -2.341 10.785 -0.195 1.00 0.32 H new ATOM 0 HD11 LEU A 86 -1.856 10.991 2.208 1.00 0.36 H new ATOM 0 HD12 LEU A 86 -3.580 10.709 1.873 1.00 0.36 H new ATOM 0 HD13 LEU A 86 -2.561 9.378 2.470 1.00 0.36 H new ATOM 0 HD21 LEU A 86 -0.142 10.185 0.711 1.00 0.32 H new ATOM 0 HD22 LEU A 86 -0.673 8.491 0.837 1.00 0.32 H new ATOM 0 HD23 LEU A 86 -0.561 9.273 -0.758 1.00 0.32 H new ATOM 1316 N ALA A 87 -5.773 6.811 0.338 1.00 0.21 N ATOM 1317 CA ALA A 87 -6.831 6.106 -0.315 1.00 0.23 C ATOM 1318 C ALA A 87 -7.951 7.064 -0.572 1.00 0.29 C ATOM 1319 O ALA A 87 -8.468 7.664 0.362 1.00 0.31 O ATOM 1320 CB ALA A 87 -7.307 4.971 0.566 1.00 0.24 C ATOM 0 H ALA A 87 -6.064 7.348 1.155 1.00 0.21 H new ATOM 0 HA ALA A 87 -6.480 5.688 -1.259 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -8.114 4.435 0.065 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -6.480 4.287 0.756 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -7.670 5.372 1.512 1.00 0.24 H new ATOM 1326 N ALA A 88 -8.317 7.224 -1.807 1.00 0.36 N ATOM 1327 CA ALA A 88 -9.384 8.129 -2.155 1.00 0.45 C ATOM 1328 C ALA A 88 -10.554 7.367 -2.732 1.00 0.37 C ATOM 1329 O ALA A 88 -10.395 6.610 -3.696 1.00 0.37 O ATOM 1330 CB ALA A 88 -8.890 9.182 -3.134 1.00 0.61 C ATOM 0 H ALA A 88 -7.894 6.740 -2.599 1.00 0.36 H new ATOM 0 HA ALA A 88 -9.719 8.636 -1.250 1.00 0.45 H new ATOM 0 HB1 ALA A 88 -9.708 9.857 -3.386 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -8.078 9.750 -2.679 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -8.529 8.695 -4.040 1.00 0.61 H new ATOM 1336 N ASN A 89 -11.700 7.516 -2.117 1.00 0.49 N ATOM 1337 CA ASN A 89 -12.925 6.891 -2.587 1.00 0.58 C ATOM 1338 C ASN A 89 -14.036 7.935 -2.470 1.00 0.57 C ATOM 1339 O ASN A 89 -13.730 9.032 -2.005 1.00 0.55 O ATOM 1340 CB ASN A 89 -13.240 5.576 -1.794 1.00 0.86 C ATOM 1341 CG ASN A 89 -13.806 5.744 -0.383 1.00 0.59 C ATOM 1342 OD1 ASN A 89 -13.590 6.741 0.303 1.00 0.71 O ATOM 1343 ND2 ASN A 89 -14.509 4.732 0.069 1.00 1.18 N ATOM 0 H ASN A 89 -11.817 8.075 -1.272 1.00 0.49 H new ATOM 0 HA ASN A 89 -12.828 6.577 -3.626 1.00 0.58 H new ATOM 0 HB2 ASN A 89 -13.949 4.988 -2.377 1.00 0.86 H new ATOM 0 HB3 ASN A 89 -12.322 4.992 -1.725 1.00 0.86 H new ATOM 0 HD21 ASN A 89 -14.893 4.759 1.014 1.00 1.18 H new ATOM 0 HD22 ASN A 89 -14.671 3.918 -0.524 1.00 1.18 H new ATOM 1350 N PRO A 90 -15.307 7.680 -2.885 1.00 0.64 N ATOM 1351 CA PRO A 90 -16.386 8.698 -2.824 1.00 0.68 C ATOM 1352 C PRO A 90 -16.565 9.363 -1.441 1.00 0.56 C ATOM 1353 O PRO A 90 -16.989 10.505 -1.355 1.00 0.63 O ATOM 1354 CB PRO A 90 -17.627 7.903 -3.204 1.00 0.81 C ATOM 1355 CG PRO A 90 -17.113 6.842 -4.098 1.00 1.00 C ATOM 1356 CD PRO A 90 -15.804 6.432 -3.506 1.00 0.74 C ATOM 0 HA PRO A 90 -16.164 9.541 -3.479 1.00 0.68 H new ATOM 0 HB2 PRO A 90 -18.116 7.482 -2.325 1.00 0.81 H new ATOM 0 HB3 PRO A 90 -18.363 8.529 -3.709 1.00 0.81 H new ATOM 0 HG2 PRO A 90 -17.804 6.000 -4.148 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -16.987 7.211 -5.116 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -15.926 5.637 -2.770 1.00 0.74 H new ATOM 0 HD3 PRO A 90 -15.117 6.060 -4.266 1.00 0.74 H new ATOM 1364 N CYS A 91 -16.204 8.664 -0.379 1.00 0.50 N ATOM 1365 CA CYS A 91 -16.331 9.216 0.972 1.00 0.50 C ATOM 1366 C CYS A 91 -15.223 10.221 1.283 1.00 0.46 C ATOM 1367 O CYS A 91 -15.333 11.007 2.221 1.00 0.61 O ATOM 1368 CB CYS A 91 -16.302 8.117 2.017 1.00 0.61 C ATOM 1369 SG CYS A 91 -17.688 6.950 1.975 1.00 1.10 S ATOM 0 H CYS A 91 -15.822 7.719 -0.418 1.00 0.50 H new ATOM 0 HA CYS A 91 -17.292 9.729 1.006 1.00 0.50 H new ATOM 0 HB2 CYS A 91 -15.375 7.555 1.900 1.00 0.61 H new ATOM 0 HB3 CYS A 91 -16.272 8.580 3.003 1.00 0.61 H new ATOM 1374 N GLY A 92 -14.163 10.189 0.519 1.00 0.46 N ATOM 1375 CA GLY A 92 -13.078 11.087 0.749 1.00 0.58 C ATOM 1376 C GLY A 92 -11.760 10.371 0.761 1.00 0.49 C ATOM 1377 O GLY A 92 -11.650 9.244 0.244 1.00 0.59 O ATOM 0 H GLY A 92 -14.034 9.550 -0.265 1.00 0.46 H new ATOM 0 HA2 GLY A 92 -13.069 11.853 -0.026 1.00 0.58 H new ATOM 0 HA3 GLY A 92 -13.224 11.598 1.701 1.00 0.58 H new ATOM 1381 N GLN A 93 -10.781 10.985 1.372 1.00 0.46 N ATOM 1382 CA GLN A 93 -9.452 10.451 1.408 1.00 0.42 C ATOM 1383 C GLN A 93 -9.138 9.930 2.805 1.00 0.41 C ATOM 1384 O GLN A 93 -9.516 10.543 3.812 1.00 0.56 O ATOM 1385 CB GLN A 93 -8.451 11.540 1.036 1.00 0.53 C ATOM 1386 CG GLN A 93 -7.046 11.030 0.773 1.00 0.58 C ATOM 1387 CD GLN A 93 -6.037 12.143 0.630 1.00 0.92 C ATOM 1388 OE1 GLN A 93 -6.150 13.199 1.259 1.00 1.57 O ATOM 1389 NE2 GLN A 93 -5.080 11.947 -0.216 1.00 1.33 N ATOM 0 H GLN A 93 -10.888 11.874 1.860 1.00 0.46 H new ATOM 0 HA GLN A 93 -9.380 9.630 0.694 1.00 0.42 H new ATOM 0 HB2 GLN A 93 -8.809 12.059 0.147 1.00 0.53 H new ATOM 0 HB3 GLN A 93 -8.414 12.274 1.841 1.00 0.53 H new ATOM 0 HG2 GLN A 93 -6.744 10.374 1.590 1.00 0.58 H new ATOM 0 HG3 GLN A 93 -7.047 10.428 -0.136 1.00 0.58 H new ATOM 0 HE21 GLN A 93 -5.017 11.062 -0.719 1.00 1.33 H new ATOM 0 HE22 GLN A 93 -4.388 12.678 -0.381 1.00 1.33 H new ATOM 1398 N ALA A 94 -8.503 8.800 2.858 1.00 0.30 N ATOM 1399 CA ALA A 94 -8.027 8.219 4.088 1.00 0.33 C ATOM 1400 C ALA A 94 -6.523 8.138 3.996 1.00 0.31 C ATOM 1401 O ALA A 94 -5.980 8.138 2.878 1.00 0.30 O ATOM 1402 CB ALA A 94 -8.607 6.838 4.275 1.00 0.37 C ATOM 0 H ALA A 94 -8.294 8.239 2.032 1.00 0.30 H new ATOM 0 HA ALA A 94 -8.331 8.828 4.939 1.00 0.33 H new ATOM 0 HB1 ALA A 94 -8.238 6.412 5.208 1.00 0.37 H new ATOM 0 HB2 ALA A 94 -9.695 6.902 4.310 1.00 0.37 H new ATOM 0 HB3 ALA A 94 -8.307 6.202 3.442 1.00 0.37 H new ATOM 1408 N SER A 95 -5.845 8.060 5.119 1.00 0.36 N ATOM 1409 CA SER A 95 -4.412 8.033 5.100 1.00 0.37 C ATOM 1410 C SER A 95 -3.827 7.329 6.319 1.00 0.38 C ATOM 1411 O SER A 95 -4.503 7.171 7.350 1.00 0.57 O ATOM 1412 CB SER A 95 -3.878 9.466 5.001 1.00 0.43 C ATOM 1413 OG SER A 95 -4.416 10.300 6.036 1.00 0.50 O ATOM 0 H SER A 95 -6.265 8.015 6.047 1.00 0.36 H new ATOM 0 HA SER A 95 -4.100 7.459 4.227 1.00 0.37 H new ATOM 0 HB2 SER A 95 -2.790 9.456 5.069 1.00 0.43 H new ATOM 0 HB3 SER A 95 -4.132 9.884 4.027 1.00 0.43 H new ATOM 0 HG SER A 95 -4.055 11.207 5.946 1.00 0.50 H new ATOM 1419 N ALA A 96 -2.594 6.891 6.172 1.00 0.27 N ATOM 1420 CA ALA A 96 -1.796 6.303 7.228 1.00 0.27 C ATOM 1421 C ALA A 96 -0.342 6.425 6.801 1.00 0.23 C ATOM 1422 O ALA A 96 -0.066 6.509 5.593 1.00 0.26 O ATOM 1423 CB ALA A 96 -2.169 4.840 7.447 1.00 0.30 C ATOM 0 H ALA A 96 -2.101 6.936 5.280 1.00 0.27 H new ATOM 0 HA ALA A 96 -1.971 6.818 8.172 1.00 0.27 H new ATOM 0 HB1 ALA A 96 -1.555 4.423 8.245 1.00 0.30 H new ATOM 0 HB2 ALA A 96 -3.221 4.770 7.725 1.00 0.30 H new ATOM 0 HB3 ALA A 96 -1.999 4.280 6.528 1.00 0.30 H new ATOM 1429 N SER A 97 0.572 6.460 7.734 1.00 0.26 N ATOM 1430 CA SER A 97 1.973 6.591 7.409 1.00 0.28 C ATOM 1431 C SER A 97 2.788 5.435 8.000 1.00 0.25 C ATOM 1432 O SER A 97 2.397 4.843 9.011 1.00 0.38 O ATOM 1433 CB SER A 97 2.489 7.948 7.907 1.00 0.41 C ATOM 1434 OG SER A 97 2.194 8.128 9.288 1.00 1.26 O ATOM 0 H SER A 97 0.372 6.399 8.732 1.00 0.26 H new ATOM 0 HA SER A 97 2.091 6.545 6.326 1.00 0.28 H new ATOM 0 HB2 SER A 97 3.566 8.012 7.750 1.00 0.41 H new ATOM 0 HB3 SER A 97 2.034 8.750 7.326 1.00 0.41 H new ATOM 0 HG SER A 97 2.533 8.998 9.584 1.00 1.26 H new ATOM 1440 N ILE A 98 3.878 5.099 7.353 1.00 0.25 N ATOM 1441 CA ILE A 98 4.773 4.059 7.810 1.00 0.28 C ATOM 1442 C ILE A 98 6.195 4.437 7.362 1.00 0.28 C ATOM 1443 O ILE A 98 6.419 4.788 6.201 1.00 0.30 O ATOM 1444 CB ILE A 98 4.291 2.630 7.275 1.00 0.36 C ATOM 1445 CG1 ILE A 98 5.111 1.424 7.839 1.00 0.72 C ATOM 1446 CG2 ILE A 98 4.224 2.572 5.746 1.00 0.39 C ATOM 1447 CD1 ILE A 98 6.503 1.229 7.267 1.00 0.37 C ATOM 0 H ILE A 98 4.173 5.544 6.484 1.00 0.25 H new ATOM 0 HA ILE A 98 4.768 3.976 8.897 1.00 0.28 H new ATOM 0 HB ILE A 98 3.280 2.522 7.667 1.00 0.36 H new ATOM 0 HG12 ILE A 98 5.199 1.546 8.919 1.00 0.72 H new ATOM 0 HG13 ILE A 98 4.540 0.512 7.667 1.00 0.72 H new ATOM 0 HG21 ILE A 98 3.892 1.582 5.434 1.00 0.39 H new ATOM 0 HG22 ILE A 98 3.520 3.322 5.384 1.00 0.39 H new ATOM 0 HG23 ILE A 98 5.212 2.771 5.331 1.00 0.39 H new ATOM 0 HD11 ILE A 98 6.971 0.363 7.736 1.00 0.37 H new ATOM 0 HD12 ILE A 98 6.435 1.067 6.191 1.00 0.37 H new ATOM 0 HD13 ILE A 98 7.104 2.117 7.463 1.00 0.37 H new ATOM 1459 N MET A 99 7.125 4.432 8.281 1.00 0.34 N ATOM 1460 CA MET A 99 8.492 4.793 7.974 1.00 0.41 C ATOM 1461 C MET A 99 9.255 3.501 7.755 1.00 0.40 C ATOM 1462 O MET A 99 9.454 2.720 8.689 1.00 0.51 O ATOM 1463 CB MET A 99 9.084 5.599 9.144 1.00 0.59 C ATOM 1464 CG MET A 99 10.290 6.469 8.792 1.00 0.85 C ATOM 1465 SD MET A 99 11.750 5.565 8.252 1.00 1.25 S ATOM 1466 CE MET A 99 12.805 6.941 7.829 1.00 1.18 C ATOM 0 H MET A 99 6.963 4.181 9.256 1.00 0.34 H new ATOM 0 HA MET A 99 8.553 5.416 7.082 1.00 0.41 H new ATOM 0 HB2 MET A 99 8.303 6.238 9.555 1.00 0.59 H new ATOM 0 HB3 MET A 99 9.375 4.904 9.932 1.00 0.59 H new ATOM 0 HG2 MET A 99 10.000 7.164 8.004 1.00 0.85 H new ATOM 0 HG3 MET A 99 10.554 7.068 9.664 1.00 0.85 H new ATOM 0 HE1 MET A 99 13.706 6.572 7.340 1.00 1.18 H new ATOM 0 HE2 MET A 99 12.274 7.612 7.154 1.00 1.18 H new ATOM 0 HE3 MET A 99 13.080 7.481 8.735 1.00 1.18 H new ATOM 1476 N ALA A 100 9.654 3.247 6.541 1.00 0.42 N ATOM 1477 CA ALA A 100 10.271 1.990 6.244 1.00 0.48 C ATOM 1478 C ALA A 100 11.748 2.139 6.008 1.00 0.48 C ATOM 1479 O ALA A 100 12.193 2.738 5.019 1.00 0.57 O ATOM 1480 CB ALA A 100 9.595 1.318 5.060 1.00 0.58 C ATOM 0 H ALA A 100 9.564 3.886 5.751 1.00 0.42 H new ATOM 0 HA ALA A 100 10.143 1.349 7.116 1.00 0.48 H new ATOM 0 HB1 ALA A 100 10.083 0.365 4.855 1.00 0.58 H new ATOM 0 HB2 ALA A 100 8.544 1.145 5.291 1.00 0.58 H new ATOM 0 HB3 ALA A 100 9.673 1.961 4.183 1.00 0.58 H new ATOM 1486 N ALA A 101 12.501 1.585 6.908 1.00 0.56 N ATOM 1487 CA ALA A 101 13.920 1.565 6.809 1.00 0.65 C ATOM 1488 C ALA A 101 14.339 0.178 6.400 1.00 0.66 C ATOM 1489 O ALA A 101 14.332 -0.749 7.212 1.00 0.77 O ATOM 1490 CB ALA A 101 14.535 1.926 8.143 1.00 0.84 C ATOM 0 H ALA A 101 12.137 1.128 7.744 1.00 0.56 H new ATOM 0 HA ALA A 101 14.260 2.291 6.071 1.00 0.65 H new ATOM 0 HB1 ALA A 101 15.622 1.909 8.059 1.00 0.84 H new ATOM 0 HB2 ALA A 101 14.210 2.924 8.435 1.00 0.84 H new ATOM 0 HB3 ALA A 101 14.218 1.206 8.897 1.00 0.84 H new ATOM 1496 N PHE A 102 14.643 0.026 5.137 1.00 0.75 N ATOM 1497 CA PHE A 102 15.069 -1.260 4.615 1.00 0.87 C ATOM 1498 C PHE A 102 16.504 -1.537 5.040 1.00 1.20 C ATOM 1499 O PHE A 102 16.761 -2.380 5.884 1.00 2.05 O ATOM 1500 CB PHE A 102 14.950 -1.300 3.084 1.00 0.97 C ATOM 1501 CG PHE A 102 13.600 -0.892 2.565 1.00 1.69 C ATOM 1502 CD1 PHE A 102 12.445 -1.502 3.024 1.00 2.20 C ATOM 1503 CD2 PHE A 102 13.489 0.098 1.610 1.00 2.45 C ATOM 1504 CE1 PHE A 102 11.206 -1.131 2.542 1.00 3.25 C ATOM 1505 CE2 PHE A 102 12.257 0.473 1.125 1.00 3.51 C ATOM 1506 CZ PHE A 102 11.113 -0.142 1.592 1.00 3.86 C ATOM 0 H PHE A 102 14.605 0.774 4.445 1.00 0.75 H new ATOM 0 HA PHE A 102 14.417 -2.033 5.023 1.00 0.87 H new ATOM 0 HB2 PHE A 102 15.707 -0.644 2.654 1.00 0.97 H new ATOM 0 HB3 PHE A 102 15.170 -2.310 2.739 1.00 0.97 H new ATOM 0 HD1 PHE A 102 12.515 -2.280 3.770 1.00 2.20 H new ATOM 0 HD2 PHE A 102 14.379 0.584 1.239 1.00 2.45 H new ATOM 0 HE1 PHE A 102 10.314 -1.616 2.910 1.00 3.25 H new ATOM 0 HE2 PHE A 102 12.185 1.250 0.378 1.00 3.51 H new ATOM 0 HZ PHE A 102 10.146 0.153 1.212 1.00 3.86 H new