USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=16 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 -84:sc= 0.87 USER MOD Set 1.2: A 97 SER OG : rot 180:sc= 0.766 USER MOD Set 2.1: A 42 ASN : amide:sc= 0.314 K(o=0.62,f=-0.094) USER MOD Set 2.2: A 82 ASN : amide:sc= 0.311 K(o=0.62,f=-0.094) USER MOD Set 3.1: A 76 THR OG1 : rot 22:sc= -0.0813 USER MOD Set 3.2: A 79 ASN : amide:sc= -1.32! C(o=-1.4!,f=-5.1!) USER MOD Set 4.1: A 28 SER OG : rot -103:sc= 0.786 USER MOD Set 4.2: A 67 HIS : no HD1:sc= 1.79 K(o=2.6,f=-6.3!) USER MOD Single : A 7 SER OG : rot -27:sc= 0.293 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.681 K(o=-0.68,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 USER MOD Single : A 20 MET CE :methyl -160:sc= 0 (180deg=-0.493) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= -0.0389 X(o=-0.039,f=-0.006) USER MOD Single : A 32 GLN : amide:sc= -0.0267 K(o=-0.027,f=-1.6!) 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= 0.00324 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 53:sc= 0.636 USER MOD Single : A 62 ASN : amide:sc= -0.0252 X(o=-0.025,f=-0.046) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.502 K(o=0.5,f=-0.37) USER MOD Single : A 74 GLN : amide:sc= -0.0339 K(o=-0.034,f=-0.89) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= 2.19 K(o=2.2,f=-8.4!) USER MOD Single : A 83 TYR OH : rot 120:sc= -0.162 USER MOD Single : A 89 ASN : amide:sc= -0.696 K(o=-0.7,f=-7.4!) USER MOD Single : A 93 GLN : amide:sc= -0.533 X(o=-0.53,f=-0.57) USER MOD Single : A 95 SER OG : rot 36:sc= 0.212 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N SER A 7 -22.536 2.519 3.704 1.00 1.06 N ATOM 80 CA SER A 7 -21.507 2.893 2.805 1.00 0.91 C ATOM 81 C SER A 7 -20.194 2.978 3.550 1.00 0.81 C ATOM 82 O SER A 7 -19.910 3.948 4.258 1.00 0.91 O ATOM 83 CB SER A 7 -21.900 4.189 2.096 1.00 1.01 C ATOM 84 OG SER A 7 -22.414 5.156 3.013 1.00 1.58 O ATOM 0 HA SER A 7 -21.372 2.142 2.027 1.00 0.91 H new ATOM 0 HB2 SER A 7 -21.032 4.600 1.582 1.00 1.01 H new ATOM 0 HB3 SER A 7 -22.650 3.975 1.334 1.00 1.01 H new ATOM 0 HG SER A 7 -22.817 4.698 3.780 1.00 1.58 H new ATOM 90 N PHE A 8 -19.420 1.930 3.423 1.00 0.75 N ATOM 91 CA PHE A 8 -18.177 1.819 4.121 1.00 0.70 C ATOM 92 C PHE A 8 -17.170 2.821 3.598 1.00 0.53 C ATOM 93 O PHE A 8 -16.879 2.876 2.391 1.00 0.54 O ATOM 94 CB PHE A 8 -17.624 0.397 4.042 1.00 0.85 C ATOM 95 CG PHE A 8 -18.529 -0.665 4.626 1.00 0.77 C ATOM 96 CD1 PHE A 8 -18.836 -1.821 3.916 1.00 0.88 C ATOM 97 CD2 PHE A 8 -19.093 -0.491 5.876 1.00 1.01 C ATOM 98 CE1 PHE A 8 -19.683 -2.769 4.447 1.00 0.85 C ATOM 99 CE2 PHE A 8 -19.936 -1.439 6.412 1.00 1.19 C ATOM 100 CZ PHE A 8 -20.145 -2.650 5.700 1.00 0.96 C ATOM 0 H PHE A 8 -19.640 1.130 2.829 1.00 0.75 H new ATOM 0 HA PHE A 8 -18.364 2.046 5.171 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -17.429 0.155 2.997 1.00 0.85 H new ATOM 0 HB3 PHE A 8 -16.666 0.365 4.561 1.00 0.85 H new ATOM 0 HD1 PHE A 8 -18.406 -1.977 2.938 1.00 0.88 H new ATOM 0 HD2 PHE A 8 -18.869 0.402 6.441 1.00 1.01 H new ATOM 0 HE1 PHE A 8 -19.978 -3.617 3.847 1.00 0.85 H new ATOM 0 HE2 PHE A 8 -20.429 -1.265 7.357 1.00 1.19 H new ATOM 0 HZ PHE A 8 -20.673 -3.470 6.165 1.00 0.96 H new ATOM 110 N CYS A 9 -16.664 3.598 4.511 1.00 0.49 N ATOM 111 CA CYS A 9 -15.706 4.638 4.248 1.00 0.44 C ATOM 112 C CYS A 9 -14.333 3.968 4.237 1.00 0.37 C ATOM 113 O CYS A 9 -14.191 2.867 4.779 1.00 0.40 O ATOM 114 CB CYS A 9 -15.815 5.669 5.393 1.00 0.62 C ATOM 115 SG CYS A 9 -14.936 7.245 5.128 1.00 1.32 S ATOM 0 H CYS A 9 -16.915 3.524 5.497 1.00 0.49 H new ATOM 0 HA CYS A 9 -15.874 5.149 3.300 1.00 0.44 H new ATOM 0 HB2 CYS A 9 -16.870 5.887 5.561 1.00 0.62 H new ATOM 0 HB3 CYS A 9 -15.434 5.211 6.306 1.00 0.62 H new ATOM 120 N ALA A 10 -13.332 4.595 3.656 1.00 0.35 N ATOM 121 CA ALA A 10 -12.056 3.937 3.522 1.00 0.35 C ATOM 122 C ALA A 10 -11.142 4.287 4.647 1.00 0.29 C ATOM 123 O ALA A 10 -10.865 5.468 4.893 1.00 0.34 O ATOM 124 CB ALA A 10 -11.379 4.275 2.211 1.00 0.45 C ATOM 0 H ALA A 10 -13.377 5.541 3.277 1.00 0.35 H new ATOM 0 HA ALA A 10 -12.261 2.867 3.544 1.00 0.35 H new ATOM 0 HB1 ALA A 10 -10.421 3.758 2.152 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -12.013 3.960 1.382 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -11.215 5.351 2.153 1.00 0.45 H new ATOM 130 N SER A 11 -10.721 3.284 5.345 1.00 0.27 N ATOM 131 CA SER A 11 -9.742 3.432 6.369 1.00 0.27 C ATOM 132 C SER A 11 -8.490 2.727 5.904 1.00 0.23 C ATOM 133 O SER A 11 -8.574 1.679 5.256 1.00 0.25 O ATOM 134 CB SER A 11 -10.245 2.849 7.687 1.00 0.37 C ATOM 135 OG SER A 11 -11.454 3.482 8.085 1.00 1.19 O ATOM 0 H SER A 11 -11.052 2.327 5.218 1.00 0.27 H new ATOM 0 HA SER A 11 -9.534 4.487 6.550 1.00 0.27 H new ATOM 0 HB2 SER A 11 -10.408 1.777 7.578 1.00 0.37 H new ATOM 0 HB3 SER A 11 -9.488 2.979 8.461 1.00 0.37 H new ATOM 0 HG SER A 11 -11.763 3.095 8.931 1.00 1.19 H new ATOM 141 N VAL A 12 -7.352 3.288 6.191 1.00 0.23 N ATOM 142 CA VAL A 12 -6.110 2.727 5.728 1.00 0.22 C ATOM 143 C VAL A 12 -5.282 2.269 6.899 1.00 0.24 C ATOM 144 O VAL A 12 -4.877 3.076 7.735 1.00 0.29 O ATOM 145 CB VAL A 12 -5.302 3.761 4.890 1.00 0.23 C ATOM 146 CG1 VAL A 12 -3.976 3.201 4.480 1.00 0.24 C ATOM 147 CG2 VAL A 12 -6.053 4.144 3.650 1.00 0.27 C ATOM 0 H VAL A 12 -7.255 4.138 6.746 1.00 0.23 H new ATOM 0 HA VAL A 12 -6.344 1.875 5.090 1.00 0.22 H new ATOM 0 HB VAL A 12 -5.152 4.638 5.520 1.00 0.23 H new ATOM 0 HG11 VAL A 12 -3.432 3.944 3.896 1.00 0.24 H new ATOM 0 HG12 VAL A 12 -3.399 2.944 5.368 1.00 0.24 H new ATOM 0 HG13 VAL A 12 -4.130 2.306 3.876 1.00 0.24 H new ATOM 0 HG21 VAL A 12 -5.470 4.867 3.080 1.00 0.27 H new ATOM 0 HG22 VAL A 12 -6.226 3.257 3.041 1.00 0.27 H new ATOM 0 HG23 VAL A 12 -7.010 4.587 3.926 1.00 0.27 H new ATOM 157 N GLN A 13 -5.064 0.994 6.992 1.00 0.24 N ATOM 158 CA GLN A 13 -4.231 0.474 8.019 1.00 0.29 C ATOM 159 C GLN A 13 -2.973 -0.089 7.411 1.00 0.26 C ATOM 160 O GLN A 13 -3.011 -1.028 6.603 1.00 0.32 O ATOM 161 CB GLN A 13 -4.948 -0.574 8.866 1.00 0.40 C ATOM 162 CG GLN A 13 -6.203 -0.048 9.559 1.00 0.68 C ATOM 163 CD GLN A 13 -6.813 -1.039 10.533 1.00 1.43 C ATOM 164 OE1 GLN A 13 -7.441 -0.649 11.523 1.00 2.18 O ATOM 165 NE2 GLN A 13 -6.634 -2.303 10.288 1.00 2.06 N ATOM 0 H GLN A 13 -5.456 0.294 6.362 1.00 0.24 H new ATOM 0 HA GLN A 13 -3.971 1.291 8.692 1.00 0.29 H new ATOM 0 HB2 GLN A 13 -5.220 -1.417 8.231 1.00 0.40 H new ATOM 0 HB3 GLN A 13 -4.258 -0.953 9.621 1.00 0.40 H new ATOM 0 HG2 GLN A 13 -5.957 0.870 10.093 1.00 0.68 H new ATOM 0 HG3 GLN A 13 -6.945 0.211 8.804 1.00 0.68 H new ATOM 0 HE21 GLN A 13 -6.111 -2.593 9.462 1.00 2.06 H new ATOM 0 HE22 GLN A 13 -7.017 -3.005 10.922 1.00 2.06 H new ATOM 174 N LEU A 14 -1.884 0.509 7.761 1.00 0.28 N ATOM 175 CA LEU A 14 -0.591 0.100 7.307 1.00 0.25 C ATOM 176 C LEU A 14 0.117 -0.609 8.422 1.00 0.25 C ATOM 177 O LEU A 14 -0.214 -0.414 9.595 1.00 0.33 O ATOM 178 CB LEU A 14 0.204 1.302 6.786 1.00 0.24 C ATOM 179 CG LEU A 14 -0.265 1.841 5.431 1.00 0.24 C ATOM 180 CD1 LEU A 14 0.394 3.146 5.109 1.00 0.23 C ATOM 181 CD2 LEU A 14 0.075 0.852 4.353 1.00 0.25 C ATOM 0 H LEU A 14 -1.864 1.315 8.385 1.00 0.28 H new ATOM 0 HA LEU A 14 -0.692 -0.592 6.471 1.00 0.25 H new ATOM 0 HB2 LEU A 14 0.146 2.105 7.521 1.00 0.24 H new ATOM 0 HB3 LEU A 14 1.254 1.019 6.706 1.00 0.24 H new ATOM 0 HG LEU A 14 -1.343 1.995 5.484 1.00 0.24 H new ATOM 0 HD11 LEU A 14 0.041 3.503 4.142 1.00 0.23 H new ATOM 0 HD12 LEU A 14 0.147 3.878 5.878 1.00 0.23 H new ATOM 0 HD13 LEU A 14 1.475 3.009 5.073 1.00 0.23 H new ATOM 0 HD21 LEU A 14 -0.259 1.236 3.389 1.00 0.25 H new ATOM 0 HD22 LEU A 14 1.154 0.697 4.328 1.00 0.25 H new ATOM 0 HD23 LEU A 14 -0.423 -0.096 4.558 1.00 0.25 H new ATOM 193 N HIS A 15 1.057 -1.425 8.079 1.00 0.21 N ATOM 194 CA HIS A 15 1.747 -2.240 9.044 1.00 0.24 C ATOM 195 C HIS A 15 3.208 -2.105 8.825 1.00 0.21 C ATOM 196 O HIS A 15 3.641 -1.728 7.735 1.00 0.22 O ATOM 197 CB HIS A 15 1.358 -3.725 8.901 1.00 0.34 C ATOM 198 CG HIS A 15 -0.060 -4.054 9.255 1.00 0.54 C ATOM 199 ND1 HIS A 15 -0.418 -4.595 10.455 1.00 0.92 N ATOM 200 CD2 HIS A 15 -1.207 -3.939 8.543 1.00 0.62 C ATOM 201 CE1 HIS A 15 -1.712 -4.805 10.472 1.00 1.03 C ATOM 202 NE2 HIS A 15 -2.217 -4.415 9.323 1.00 0.83 N ATOM 0 H HIS A 15 1.376 -1.552 7.118 1.00 0.21 H new ATOM 0 HA HIS A 15 1.469 -1.904 10.043 1.00 0.24 H new ATOM 0 HB2 HIS A 15 1.538 -4.033 7.871 1.00 0.34 H new ATOM 0 HB3 HIS A 15 2.019 -4.319 9.532 1.00 0.34 H new ATOM 0 HD2 HIS A 15 -1.303 -3.543 7.543 1.00 0.62 H new ATOM 0 HE1 HIS A 15 -2.270 -5.228 11.294 1.00 1.03 H new ATOM 0 HE2 HIS A 15 -3.201 -4.461 9.059 1.00 0.83 H new ATOM 211 N THR A 16 3.952 -2.372 9.862 1.00 0.26 N ATOM 212 CA THR A 16 5.373 -2.308 9.827 1.00 0.29 C ATOM 213 C THR A 16 5.911 -3.373 8.875 1.00 0.25 C ATOM 214 O THR A 16 5.434 -4.518 8.868 1.00 0.27 O ATOM 215 CB THR A 16 5.926 -2.538 11.242 1.00 0.38 C ATOM 216 OG1 THR A 16 5.227 -1.671 12.165 1.00 0.49 O ATOM 217 CG2 THR A 16 7.406 -2.206 11.290 1.00 0.47 C ATOM 0 H THR A 16 3.573 -2.645 10.769 1.00 0.26 H new ATOM 0 HA THR A 16 5.688 -1.326 9.473 1.00 0.29 H new ATOM 0 HB THR A 16 5.783 -3.584 11.513 1.00 0.38 H new ATOM 0 HG1 THR A 16 5.572 -1.812 13.071 1.00 0.49 H new ATOM 0 HG21 THR A 16 7.784 -2.374 12.299 1.00 0.47 H new ATOM 0 HG22 THR A 16 7.945 -2.844 10.590 1.00 0.47 H new ATOM 0 HG23 THR A 16 7.554 -1.161 11.016 1.00 0.47 H new ATOM 225 N ALA A 17 6.856 -2.963 8.046 1.00 0.28 N ATOM 226 CA ALA A 17 7.494 -3.836 7.097 1.00 0.30 C ATOM 227 C ALA A 17 8.187 -4.968 7.830 1.00 0.35 C ATOM 228 O ALA A 17 8.803 -4.748 8.883 1.00 0.40 O ATOM 229 CB ALA A 17 8.492 -3.049 6.268 1.00 0.37 C ATOM 0 H ALA A 17 7.200 -2.003 8.019 1.00 0.28 H new ATOM 0 HA ALA A 17 6.743 -4.260 6.430 1.00 0.30 H new ATOM 0 HB1 ALA A 17 8.973 -3.714 5.550 1.00 0.37 H new ATOM 0 HB2 ALA A 17 7.974 -2.253 5.734 1.00 0.37 H new ATOM 0 HB3 ALA A 17 9.247 -2.615 6.923 1.00 0.37 H new ATOM 235 N VAL A 18 8.121 -6.146 7.285 1.00 0.38 N ATOM 236 CA VAL A 18 8.672 -7.298 7.953 1.00 0.48 C ATOM 237 C VAL A 18 10.116 -7.509 7.550 1.00 0.56 C ATOM 238 O VAL A 18 10.477 -7.434 6.365 1.00 0.52 O ATOM 239 CB VAL A 18 7.829 -8.591 7.715 1.00 0.54 C ATOM 240 CG1 VAL A 18 6.444 -8.441 8.330 1.00 0.57 C ATOM 241 CG2 VAL A 18 7.703 -8.913 6.229 1.00 0.52 C ATOM 0 H VAL A 18 7.692 -6.340 6.380 1.00 0.38 H new ATOM 0 HA VAL A 18 8.634 -7.094 9.023 1.00 0.48 H new ATOM 0 HB VAL A 18 8.351 -9.417 8.197 1.00 0.54 H new ATOM 0 HG11 VAL A 18 5.868 -9.350 8.156 1.00 0.57 H new ATOM 0 HG12 VAL A 18 6.539 -8.271 9.403 1.00 0.57 H new ATOM 0 HG13 VAL A 18 5.932 -7.594 7.872 1.00 0.57 H new ATOM 0 HG21 VAL A 18 7.110 -9.819 6.102 1.00 0.52 H new ATOM 0 HG22 VAL A 18 7.214 -8.084 5.717 1.00 0.52 H new ATOM 0 HG23 VAL A 18 8.695 -9.066 5.805 1.00 0.52 H new ATOM 251 N GLU A 19 10.935 -7.730 8.556 1.00 0.72 N ATOM 252 CA GLU A 19 12.361 -7.859 8.413 1.00 0.84 C ATOM 253 C GLU A 19 12.760 -9.155 7.740 1.00 0.84 C ATOM 254 O GLU A 19 12.722 -10.237 8.344 1.00 0.96 O ATOM 255 CB GLU A 19 13.047 -7.707 9.774 1.00 1.06 C ATOM 256 CG GLU A 19 12.825 -6.341 10.400 1.00 1.72 C ATOM 257 CD GLU A 19 13.423 -6.199 11.772 1.00 2.02 C ATOM 258 OE1 GLU A 19 12.701 -6.378 12.772 1.00 2.52 O ATOM 259 OE2 GLU A 19 14.654 -5.938 11.878 1.00 2.38 O ATOM 0 H GLU A 19 10.614 -7.827 9.519 1.00 0.72 H new ATOM 0 HA GLU A 19 12.698 -7.055 7.758 1.00 0.84 H new ATOM 0 HB2 GLU A 19 12.674 -8.476 10.451 1.00 1.06 H new ATOM 0 HB3 GLU A 19 14.117 -7.877 9.657 1.00 1.06 H new ATOM 0 HG2 GLU A 19 13.251 -5.579 9.747 1.00 1.72 H new ATOM 0 HG3 GLU A 19 11.754 -6.148 10.459 1.00 1.72 H new ATOM 266 N MET A 20 13.089 -9.027 6.489 1.00 0.79 N ATOM 267 CA MET A 20 13.607 -10.084 5.659 1.00 0.84 C ATOM 268 C MET A 20 14.276 -9.420 4.469 1.00 0.81 C ATOM 269 O MET A 20 14.289 -8.182 4.421 1.00 0.84 O ATOM 270 CB MET A 20 12.522 -11.118 5.237 1.00 0.88 C ATOM 271 CG MET A 20 11.332 -10.561 4.466 1.00 0.88 C ATOM 272 SD MET A 20 10.153 -11.857 3.992 1.00 0.88 S ATOM 273 CE MET A 20 8.915 -10.899 3.117 1.00 0.58 C ATOM 0 H MET A 20 13.001 -8.141 5.992 1.00 0.79 H new ATOM 0 HA MET A 20 14.328 -10.678 6.220 1.00 0.84 H new ATOM 0 HB2 MET A 20 12.998 -11.885 4.627 1.00 0.88 H new ATOM 0 HB3 MET A 20 12.149 -11.611 6.135 1.00 0.88 H new ATOM 0 HG2 MET A 20 10.823 -9.815 5.076 1.00 0.88 H new ATOM 0 HG3 MET A 20 11.688 -10.051 3.571 1.00 0.88 H new ATOM 0 HE1 MET A 20 7.982 -11.461 3.077 1.00 0.58 H new ATOM 0 HE2 MET A 20 8.749 -9.956 3.638 1.00 0.58 H new ATOM 0 HE3 MET A 20 9.261 -10.697 2.103 1.00 0.58 H new ATOM 283 N HIS A 21 14.830 -10.168 3.536 1.00 0.92 N ATOM 284 CA HIS A 21 15.565 -9.549 2.415 1.00 1.01 C ATOM 285 C HIS A 21 14.687 -8.706 1.512 1.00 0.82 C ATOM 286 O HIS A 21 15.108 -7.659 1.033 1.00 0.95 O ATOM 287 CB HIS A 21 16.405 -10.558 1.622 1.00 1.24 C ATOM 288 CG HIS A 21 17.641 -10.990 2.354 1.00 1.65 C ATOM 289 ND1 HIS A 21 17.717 -12.127 3.124 1.00 2.31 N ATOM 290 CD2 HIS A 21 18.858 -10.400 2.444 1.00 2.19 C ATOM 291 CE1 HIS A 21 18.917 -12.212 3.655 1.00 2.75 C ATOM 292 NE2 HIS A 21 19.624 -11.177 3.257 1.00 2.66 N ATOM 0 H HIS A 21 14.796 -11.187 3.517 1.00 0.92 H new ATOM 0 HA HIS A 21 16.267 -8.859 2.884 1.00 1.01 H new ATOM 0 HB2 HIS A 21 15.796 -11.434 1.398 1.00 1.24 H new ATOM 0 HB3 HIS A 21 16.690 -10.116 0.667 1.00 1.24 H new ATOM 0 HD2 HIS A 21 19.163 -9.484 1.960 1.00 2.19 H new ATOM 0 HE1 HIS A 21 19.264 -12.999 4.308 1.00 2.75 H new ATOM 0 HE2 HIS A 21 20.592 -10.987 3.516 1.00 2.66 H new ATOM 301 N HIS A 22 13.486 -9.142 1.281 1.00 0.67 N ATOM 302 CA HIS A 22 12.552 -8.353 0.512 1.00 0.59 C ATOM 303 C HIS A 22 11.537 -7.817 1.476 1.00 0.49 C ATOM 304 O HIS A 22 10.844 -8.581 2.122 1.00 0.57 O ATOM 305 CB HIS A 22 11.873 -9.183 -0.590 1.00 0.76 C ATOM 306 CG HIS A 22 12.832 -9.784 -1.578 1.00 1.13 C ATOM 307 ND1 HIS A 22 12.774 -11.097 -1.991 1.00 1.52 N ATOM 308 CD2 HIS A 22 13.872 -9.237 -2.242 1.00 2.11 C ATOM 309 CE1 HIS A 22 13.736 -11.324 -2.860 1.00 2.06 C ATOM 310 NE2 HIS A 22 14.413 -10.215 -3.028 1.00 2.46 N ATOM 0 H HIS A 22 13.123 -10.037 1.610 1.00 0.67 H new ATOM 0 HA HIS A 22 13.076 -7.544 0.003 1.00 0.59 H new ATOM 0 HB2 HIS A 22 11.296 -9.983 -0.125 1.00 0.76 H new ATOM 0 HB3 HIS A 22 11.166 -8.549 -1.125 1.00 0.76 H new ATOM 0 HD2 HIS A 22 14.213 -8.215 -2.166 1.00 2.11 H new ATOM 0 HE1 HIS A 22 13.934 -12.265 -3.351 1.00 2.06 H new ATOM 0 HE2 HIS A 22 15.216 -10.100 -3.647 1.00 2.46 H new ATOM 319 N TRP A 23 11.459 -6.527 1.599 1.00 0.41 N ATOM 320 CA TRP A 23 10.595 -5.945 2.597 1.00 0.36 C ATOM 321 C TRP A 23 9.170 -5.884 2.099 1.00 0.32 C ATOM 322 O TRP A 23 8.891 -5.361 1.009 1.00 0.44 O ATOM 323 CB TRP A 23 11.065 -4.551 3.001 1.00 0.43 C ATOM 324 CG TRP A 23 12.446 -4.496 3.599 1.00 0.47 C ATOM 325 CD1 TRP A 23 13.620 -4.433 2.924 1.00 0.52 C ATOM 326 CD2 TRP A 23 12.787 -4.468 4.993 1.00 0.56 C ATOM 327 NE1 TRP A 23 14.671 -4.383 3.800 1.00 0.57 N ATOM 328 CE2 TRP A 23 14.186 -4.398 5.077 1.00 0.60 C ATOM 329 CE3 TRP A 23 12.048 -4.498 6.172 1.00 0.70 C ATOM 330 CZ2 TRP A 23 14.861 -4.356 6.294 1.00 0.73 C ATOM 331 CZ3 TRP A 23 12.715 -4.456 7.376 1.00 0.85 C ATOM 332 CH2 TRP A 23 14.109 -4.384 7.430 1.00 0.86 C ATOM 0 H TRP A 23 11.976 -5.857 1.029 1.00 0.41 H new ATOM 0 HA TRP A 23 10.637 -6.586 3.478 1.00 0.36 H new ATOM 0 HB2 TRP A 23 11.039 -3.906 2.123 1.00 0.43 H new ATOM 0 HB3 TRP A 23 10.357 -4.139 3.720 1.00 0.43 H new ATOM 0 HD1 TRP A 23 13.713 -4.424 1.848 1.00 0.52 H new ATOM 0 HE1 TRP A 23 15.657 -4.341 3.541 1.00 0.57 H new ATOM 0 HE3 TRP A 23 10.970 -4.553 6.143 1.00 0.70 H new ATOM 0 HZ2 TRP A 23 15.939 -4.303 6.336 1.00 0.73 H new ATOM 0 HZ3 TRP A 23 12.150 -4.479 8.296 1.00 0.85 H new ATOM 0 HH2 TRP A 23 14.600 -4.350 8.391 1.00 0.86 H new ATOM 343 N CYS A 24 8.295 -6.448 2.876 1.00 0.27 N ATOM 344 CA CYS A 24 6.893 -6.452 2.590 1.00 0.25 C ATOM 345 C CYS A 24 6.211 -5.524 3.567 1.00 0.23 C ATOM 346 O CYS A 24 6.381 -5.673 4.787 1.00 0.25 O ATOM 347 CB CYS A 24 6.327 -7.884 2.722 1.00 0.28 C ATOM 348 SG CYS A 24 4.518 -8.060 2.430 1.00 0.30 S ATOM 0 H CYS A 24 8.541 -6.927 3.742 1.00 0.27 H new ATOM 0 HA CYS A 24 6.716 -6.113 1.569 1.00 0.25 H new ATOM 0 HB2 CYS A 24 6.854 -8.529 2.019 1.00 0.28 H new ATOM 0 HB3 CYS A 24 6.552 -8.253 3.723 1.00 0.28 H new ATOM 353 N ILE A 25 5.534 -4.526 3.042 1.00 0.20 N ATOM 354 CA ILE A 25 4.742 -3.617 3.845 1.00 0.19 C ATOM 355 C ILE A 25 3.266 -4.012 3.679 1.00 0.18 C ATOM 356 O ILE A 25 2.641 -3.667 2.666 1.00 0.18 O ATOM 357 CB ILE A 25 4.917 -2.140 3.378 1.00 0.21 C ATOM 358 CG1 ILE A 25 6.404 -1.725 3.393 1.00 0.25 C ATOM 359 CG2 ILE A 25 4.079 -1.201 4.250 1.00 0.22 C ATOM 360 CD1 ILE A 25 6.668 -0.313 2.905 1.00 0.30 C ATOM 0 H ILE A 25 5.517 -4.321 2.043 1.00 0.20 H new ATOM 0 HA ILE A 25 5.067 -3.685 4.883 1.00 0.19 H new ATOM 0 HB ILE A 25 4.562 -2.064 2.350 1.00 0.21 H new ATOM 0 HG12 ILE A 25 6.785 -1.822 4.410 1.00 0.25 H new ATOM 0 HG13 ILE A 25 6.969 -2.422 2.773 1.00 0.25 H new ATOM 0 HG21 ILE A 25 4.212 -0.174 3.911 1.00 0.22 H new ATOM 0 HG22 ILE A 25 3.027 -1.475 4.173 1.00 0.22 H new ATOM 0 HG23 ILE A 25 4.400 -1.285 5.288 1.00 0.22 H new ATOM 0 HD11 ILE A 25 7.737 -0.107 2.950 1.00 0.30 H new ATOM 0 HD12 ILE A 25 6.322 -0.213 1.876 1.00 0.30 H new ATOM 0 HD13 ILE A 25 6.135 0.396 3.538 1.00 0.30 H new ATOM 372 N PRO A 26 2.704 -4.776 4.623 1.00 0.20 N ATOM 373 CA PRO A 26 1.316 -5.230 4.540 1.00 0.21 C ATOM 374 C PRO A 26 0.322 -4.089 4.781 1.00 0.21 C ATOM 375 O PRO A 26 0.459 -3.314 5.746 1.00 0.23 O ATOM 376 CB PRO A 26 1.199 -6.280 5.665 1.00 0.25 C ATOM 377 CG PRO A 26 2.599 -6.521 6.137 1.00 0.28 C ATOM 378 CD PRO A 26 3.359 -5.265 5.841 1.00 0.24 C ATOM 0 HA PRO A 26 1.081 -5.623 3.551 1.00 0.21 H new ATOM 0 HB2 PRO A 26 0.569 -5.916 6.477 1.00 0.25 H new ATOM 0 HB3 PRO A 26 0.745 -7.200 5.297 1.00 0.25 H new ATOM 0 HG2 PRO A 26 2.618 -6.746 7.203 1.00 0.28 H new ATOM 0 HG3 PRO A 26 3.042 -7.375 5.624 1.00 0.28 H new ATOM 0 HD2 PRO A 26 3.287 -4.546 6.657 1.00 0.24 H new ATOM 0 HD3 PRO A 26 4.419 -5.461 5.681 1.00 0.24 H new ATOM 386 N PHE A 27 -0.666 -3.976 3.921 1.00 0.23 N ATOM 387 CA PHE A 27 -1.671 -2.958 4.084 1.00 0.25 C ATOM 388 C PHE A 27 -3.046 -3.561 4.017 1.00 0.25 C ATOM 389 O PHE A 27 -3.255 -4.637 3.417 1.00 0.30 O ATOM 390 CB PHE A 27 -1.534 -1.799 3.061 1.00 0.27 C ATOM 391 CG PHE A 27 -1.838 -2.112 1.612 1.00 0.28 C ATOM 392 CD1 PHE A 27 -3.139 -1.995 1.109 1.00 0.29 C ATOM 393 CD2 PHE A 27 -0.830 -2.494 0.753 1.00 0.32 C ATOM 394 CE1 PHE A 27 -3.405 -2.263 -0.213 1.00 0.34 C ATOM 395 CE2 PHE A 27 -1.098 -2.762 -0.570 1.00 0.36 C ATOM 396 CZ PHE A 27 -2.385 -2.647 -1.054 1.00 0.37 C ATOM 0 H PHE A 27 -0.792 -4.576 3.106 1.00 0.23 H new ATOM 0 HA PHE A 27 -1.516 -2.521 5.071 1.00 0.25 H new ATOM 0 HB2 PHE A 27 -2.194 -0.991 3.377 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -0.514 -1.419 3.117 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -3.941 -1.691 1.765 1.00 0.29 H new ATOM 0 HD2 PHE A 27 0.181 -2.584 1.122 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -4.413 -2.172 -0.591 1.00 0.34 H new ATOM 0 HE2 PHE A 27 -0.299 -3.063 -1.231 1.00 0.36 H new ATOM 0 HZ PHE A 27 -2.592 -2.858 -2.093 1.00 0.37 H new ATOM 406 N SER A 28 -3.959 -2.921 4.662 1.00 0.25 N ATOM 407 CA SER A 28 -5.329 -3.287 4.624 1.00 0.28 C ATOM 408 C SER A 28 -6.173 -2.030 4.612 1.00 0.24 C ATOM 409 O SER A 28 -6.054 -1.172 5.492 1.00 0.27 O ATOM 410 CB SER A 28 -5.674 -4.195 5.796 1.00 0.41 C ATOM 411 OG SER A 28 -4.871 -5.376 5.743 1.00 0.88 O ATOM 0 H SER A 28 -3.766 -2.107 5.246 1.00 0.25 H new ATOM 0 HA SER A 28 -5.538 -3.853 3.716 1.00 0.28 H new ATOM 0 HB2 SER A 28 -5.505 -3.671 6.737 1.00 0.41 H new ATOM 0 HB3 SER A 28 -6.731 -4.460 5.764 1.00 0.41 H new ATOM 0 HG SER A 28 -5.409 -6.122 5.405 1.00 0.88 H new ATOM 417 N VAL A 29 -6.947 -1.898 3.588 1.00 0.23 N ATOM 418 CA VAL A 29 -7.808 -0.770 3.399 1.00 0.21 C ATOM 419 C VAL A 29 -9.227 -1.278 3.213 1.00 0.21 C ATOM 420 O VAL A 29 -9.489 -2.104 2.333 1.00 0.27 O ATOM 421 CB VAL A 29 -7.340 0.110 2.176 1.00 0.22 C ATOM 422 CG1 VAL A 29 -7.129 -0.738 0.938 1.00 0.25 C ATOM 423 CG2 VAL A 29 -8.356 1.201 1.881 1.00 0.26 C ATOM 0 H VAL A 29 -7.003 -2.587 2.838 1.00 0.23 H new ATOM 0 HA VAL A 29 -7.766 -0.123 4.276 1.00 0.21 H new ATOM 0 HB VAL A 29 -6.390 0.570 2.447 1.00 0.22 H new ATOM 0 HG11 VAL A 29 -6.807 -0.103 0.113 1.00 0.25 H new ATOM 0 HG12 VAL A 29 -6.365 -1.489 1.137 1.00 0.25 H new ATOM 0 HG13 VAL A 29 -8.063 -1.233 0.672 1.00 0.25 H new ATOM 0 HG21 VAL A 29 -8.015 1.797 1.034 1.00 0.26 H new ATOM 0 HG22 VAL A 29 -9.318 0.747 1.641 1.00 0.26 H new ATOM 0 HG23 VAL A 29 -8.465 1.842 2.755 1.00 0.26 H new ATOM 433 N ASP A 30 -10.118 -0.862 4.057 1.00 0.27 N ATOM 434 CA ASP A 30 -11.480 -1.319 3.942 1.00 0.35 C ATOM 435 C ASP A 30 -12.370 -0.191 3.527 1.00 0.37 C ATOM 436 O ASP A 30 -12.124 0.963 3.877 1.00 0.48 O ATOM 437 CB ASP A 30 -11.994 -1.996 5.223 1.00 0.51 C ATOM 438 CG ASP A 30 -12.267 -1.062 6.375 1.00 0.80 C ATOM 439 OD1 ASP A 30 -11.292 -0.550 6.980 1.00 1.39 O ATOM 440 OD2 ASP A 30 -13.445 -0.782 6.669 1.00 1.30 O ATOM 0 H ASP A 30 -9.938 -0.216 4.825 1.00 0.27 H new ATOM 0 HA ASP A 30 -11.499 -2.087 3.169 1.00 0.35 H new ATOM 0 HB2 ASP A 30 -12.912 -2.535 4.987 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -11.262 -2.738 5.542 1.00 0.51 H new ATOM 445 N GLY A 31 -13.354 -0.531 2.751 1.00 0.37 N ATOM 446 CA GLY A 31 -14.300 0.403 2.213 1.00 0.42 C ATOM 447 C GLY A 31 -14.983 -0.262 1.060 1.00 0.46 C ATOM 448 O GLY A 31 -14.350 -1.076 0.383 1.00 0.60 O ATOM 0 H GLY A 31 -13.527 -1.495 2.465 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -15.026 0.694 2.972 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -13.797 1.313 1.887 1.00 0.42 H new ATOM 452 N GLN A 32 -16.246 0.027 0.822 1.00 0.55 N ATOM 453 CA GLN A 32 -16.938 -0.692 -0.231 1.00 0.64 C ATOM 454 C GLN A 32 -16.647 -0.144 -1.622 1.00 0.61 C ATOM 455 O GLN A 32 -16.208 -0.916 -2.492 1.00 0.68 O ATOM 456 CB GLN A 32 -18.418 -0.944 0.042 1.00 0.76 C ATOM 457 CG GLN A 32 -19.035 -1.823 -1.017 1.00 0.99 C ATOM 458 CD GLN A 32 -20.367 -2.366 -0.635 1.00 1.82 C ATOM 459 OE1 GLN A 32 -20.646 -2.550 0.532 1.00 2.42 O ATOM 460 NE2 GLN A 32 -21.146 -2.727 -1.614 1.00 2.61 N ATOM 0 H GLN A 32 -16.798 0.726 1.320 1.00 0.55 H new ATOM 0 HA GLN A 32 -16.501 -1.691 -0.219 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -18.534 -1.414 1.019 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -18.949 0.007 0.081 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -19.135 -1.251 -1.939 1.00 0.99 H new ATOM 0 HG3 GLN A 32 -18.360 -2.653 -1.228 1.00 0.99 H new ATOM 0 HE21 GLN A 32 -20.867 -2.550 -2.579 1.00 2.61 H new ATOM 0 HE22 GLN A 32 -22.035 -3.186 -1.416 1.00 2.61 H new ATOM 469 N PRO A 33 -16.907 1.166 -1.912 1.00 0.59 N ATOM 470 CA PRO A 33 -16.414 1.743 -3.142 1.00 0.62 C ATOM 471 C PRO A 33 -14.899 1.700 -3.055 1.00 0.53 C ATOM 472 O PRO A 33 -14.318 2.272 -2.123 1.00 0.44 O ATOM 473 CB PRO A 33 -16.919 3.196 -3.098 1.00 0.67 C ATOM 474 CG PRO A 33 -18.062 3.168 -2.148 1.00 0.78 C ATOM 475 CD PRO A 33 -17.711 2.129 -1.131 1.00 0.63 C ATOM 0 HA PRO A 33 -16.734 1.240 -4.054 1.00 0.62 H new ATOM 0 HB2 PRO A 33 -16.138 3.877 -2.759 1.00 0.67 H new ATOM 0 HB3 PRO A 33 -17.232 3.537 -4.085 1.00 0.67 H new ATOM 0 HG2 PRO A 33 -18.207 4.142 -1.680 1.00 0.78 H new ATOM 0 HG3 PRO A 33 -18.991 2.918 -2.660 1.00 0.78 H new ATOM 0 HD2 PRO A 33 -17.144 2.550 -0.301 1.00 0.63 H new ATOM 0 HD3 PRO A 33 -18.600 1.663 -0.705 1.00 0.63 H new ATOM 483 N ALA A 34 -14.282 1.005 -3.985 1.00 0.62 N ATOM 484 CA ALA A 34 -12.862 0.750 -3.961 1.00 0.60 C ATOM 485 C ALA A 34 -12.073 2.044 -4.059 1.00 0.52 C ATOM 486 O ALA A 34 -12.065 2.702 -5.107 1.00 0.63 O ATOM 487 CB ALA A 34 -12.490 -0.221 -5.067 1.00 0.78 C ATOM 0 H ALA A 34 -14.760 0.597 -4.788 1.00 0.62 H new ATOM 0 HA ALA A 34 -12.603 0.291 -3.007 1.00 0.60 H new ATOM 0 HB1 ALA A 34 -11.416 -0.408 -5.041 1.00 0.78 H new ATOM 0 HB2 ALA A 34 -13.025 -1.160 -4.922 1.00 0.78 H new ATOM 0 HB3 ALA A 34 -12.761 0.206 -6.033 1.00 0.78 H new ATOM 493 N PRO A 35 -11.410 2.446 -2.962 1.00 0.39 N ATOM 494 CA PRO A 35 -10.694 3.707 -2.911 1.00 0.35 C ATOM 495 C PRO A 35 -9.441 3.695 -3.754 1.00 0.41 C ATOM 496 O PRO A 35 -8.732 2.687 -3.819 1.00 0.56 O ATOM 497 CB PRO A 35 -10.323 3.852 -1.445 1.00 0.29 C ATOM 498 CG PRO A 35 -10.248 2.462 -0.933 1.00 0.31 C ATOM 499 CD PRO A 35 -11.301 1.700 -1.680 1.00 0.37 C ATOM 0 HA PRO A 35 -11.301 4.525 -3.300 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -9.370 4.369 -1.327 1.00 0.29 H new ATOM 0 HB3 PRO A 35 -11.070 4.433 -0.904 1.00 0.29 H new ATOM 0 HG2 PRO A 35 -9.260 2.034 -1.103 1.00 0.31 H new ATOM 0 HG3 PRO A 35 -10.429 2.430 0.141 1.00 0.31 H new ATOM 0 HD2 PRO A 35 -11.010 0.662 -1.841 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -12.248 1.685 -1.140 1.00 0.37 H new ATOM 507 N SER A 36 -9.185 4.796 -4.387 1.00 0.39 N ATOM 508 CA SER A 36 -8.022 4.963 -5.193 1.00 0.44 C ATOM 509 C SER A 36 -6.793 5.054 -4.281 1.00 0.37 C ATOM 510 O SER A 36 -6.592 6.059 -3.573 1.00 0.41 O ATOM 511 CB SER A 36 -8.198 6.227 -6.026 1.00 0.57 C ATOM 512 OG SER A 36 -9.472 6.200 -6.682 1.00 1.37 O ATOM 0 H SER A 36 -9.790 5.617 -4.356 1.00 0.39 H new ATOM 0 HA SER A 36 -7.879 4.117 -5.866 1.00 0.44 H new ATOM 0 HB2 SER A 36 -8.125 7.108 -5.388 1.00 0.57 H new ATOM 0 HB3 SER A 36 -7.400 6.302 -6.764 1.00 0.57 H new ATOM 0 HG SER A 36 -9.583 7.015 -7.215 1.00 1.37 H new ATOM 518 N LEU A 37 -6.044 3.974 -4.236 1.00 0.33 N ATOM 519 CA LEU A 37 -4.850 3.878 -3.433 1.00 0.30 C ATOM 520 C LEU A 37 -3.691 4.519 -4.160 1.00 0.32 C ATOM 521 O LEU A 37 -3.499 4.294 -5.358 1.00 0.50 O ATOM 522 CB LEU A 37 -4.525 2.413 -3.126 1.00 0.32 C ATOM 523 CG LEU A 37 -5.556 1.643 -2.299 1.00 0.32 C ATOM 524 CD1 LEU A 37 -5.150 0.189 -2.201 1.00 0.43 C ATOM 525 CD2 LEU A 37 -5.671 2.248 -0.909 1.00 0.27 C ATOM 0 H LEU A 37 -6.252 3.127 -4.765 1.00 0.33 H new ATOM 0 HA LEU A 37 -5.020 4.401 -2.492 1.00 0.30 H new ATOM 0 HB2 LEU A 37 -4.386 1.889 -4.072 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -3.571 2.378 -2.600 1.00 0.32 H new ATOM 0 HG LEU A 37 -6.527 1.710 -2.790 1.00 0.32 H new ATOM 0 HD11 LEU A 37 -5.887 -0.356 -1.611 1.00 0.43 H new ATOM 0 HD12 LEU A 37 -5.095 -0.242 -3.201 1.00 0.43 H new ATOM 0 HD13 LEU A 37 -4.174 0.115 -1.720 1.00 0.43 H new ATOM 0 HD21 LEU A 37 -6.408 1.691 -0.330 1.00 0.27 H new ATOM 0 HD22 LEU A 37 -4.704 2.198 -0.409 1.00 0.27 H new ATOM 0 HD23 LEU A 37 -5.984 3.289 -0.990 1.00 0.27 H new ATOM 537 N ARG A 38 -2.955 5.311 -3.449 1.00 0.23 N ATOM 538 CA ARG A 38 -1.814 6.023 -3.968 1.00 0.23 C ATOM 539 C ARG A 38 -0.772 6.140 -2.876 1.00 0.22 C ATOM 540 O ARG A 38 -1.116 6.369 -1.719 1.00 0.26 O ATOM 541 CB ARG A 38 -2.279 7.399 -4.458 1.00 0.28 C ATOM 542 CG ARG A 38 -1.187 8.412 -4.773 1.00 0.33 C ATOM 543 CD ARG A 38 -1.784 9.647 -5.436 1.00 1.28 C ATOM 544 NE ARG A 38 -2.987 10.153 -4.732 1.00 1.98 N ATOM 545 CZ ARG A 38 -3.753 11.177 -5.161 1.00 3.10 C ATOM 546 NH1 ARG A 38 -3.375 11.895 -6.209 1.00 3.72 N ATOM 547 NH2 ARG A 38 -4.899 11.465 -4.541 1.00 3.78 N ATOM 0 H ARG A 38 -3.130 5.491 -2.460 1.00 0.23 H new ATOM 0 HA ARG A 38 -1.366 5.492 -4.808 1.00 0.23 H new ATOM 0 HB2 ARG A 38 -2.881 7.256 -5.355 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -2.934 7.828 -3.700 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -0.671 8.697 -3.856 1.00 0.33 H new ATOM 0 HG3 ARG A 38 -0.443 7.962 -5.431 1.00 0.33 H new ATOM 0 HD2 ARG A 38 -1.031 10.435 -5.471 1.00 1.28 H new ATOM 0 HD3 ARG A 38 -2.045 9.410 -6.467 1.00 1.28 H new ATOM 0 HE ARG A 38 -3.254 9.694 -3.861 1.00 1.98 H new ATOM 0 HH11 ARG A 38 -2.504 11.673 -6.692 1.00 3.72 H new ATOM 0 HH12 ARG A 38 -3.955 12.669 -6.533 1.00 3.72 H new ATOM 0 HH21 ARG A 38 -5.199 10.910 -3.739 1.00 3.78 H new ATOM 0 HH22 ARG A 38 -5.475 12.240 -4.869 1.00 3.78 H new ATOM 561 N TRP A 39 0.468 5.952 -3.227 1.00 0.22 N ATOM 562 CA TRP A 39 1.539 6.023 -2.279 1.00 0.22 C ATOM 563 C TRP A 39 2.277 7.338 -2.406 1.00 0.20 C ATOM 564 O TRP A 39 2.660 7.760 -3.508 1.00 0.26 O ATOM 565 CB TRP A 39 2.542 4.891 -2.475 1.00 0.25 C ATOM 566 CG TRP A 39 2.032 3.504 -2.252 1.00 0.25 C ATOM 567 CD1 TRP A 39 1.572 2.648 -3.201 1.00 0.29 C ATOM 568 CD2 TRP A 39 1.970 2.798 -1.005 1.00 0.24 C ATOM 569 NE1 TRP A 39 1.225 1.453 -2.629 1.00 0.29 N ATOM 570 CE2 TRP A 39 1.456 1.518 -1.280 1.00 0.26 C ATOM 571 CE3 TRP A 39 2.301 3.121 0.316 1.00 0.25 C ATOM 572 CZ2 TRP A 39 1.261 0.560 -0.286 1.00 0.26 C ATOM 573 CZ3 TRP A 39 2.108 2.173 1.302 1.00 0.26 C ATOM 574 CH2 TRP A 39 1.594 0.905 0.996 1.00 0.26 C ATOM 0 H TRP A 39 0.764 5.745 -4.181 1.00 0.22 H new ATOM 0 HA TRP A 39 1.089 5.936 -1.290 1.00 0.22 H new ATOM 0 HB2 TRP A 39 2.932 4.952 -3.491 1.00 0.25 H new ATOM 0 HB3 TRP A 39 3.382 5.058 -1.801 1.00 0.25 H new ATOM 0 HD1 TRP A 39 1.492 2.876 -4.253 1.00 0.29 H new ATOM 0 HE1 TRP A 39 0.854 0.644 -3.127 1.00 0.29 H new ATOM 0 HE3 TRP A 39 2.700 4.094 0.560 1.00 0.25 H new ATOM 0 HZ2 TRP A 39 0.863 -0.417 -0.519 1.00 0.26 H new ATOM 0 HZ3 TRP A 39 2.357 2.412 2.325 1.00 0.26 H new ATOM 0 HH2 TRP A 39 1.458 0.185 1.789 1.00 0.26 H new ATOM 585 N LEU A 40 2.470 7.978 -1.308 1.00 0.25 N ATOM 586 CA LEU A 40 3.233 9.176 -1.264 1.00 0.24 C ATOM 587 C LEU A 40 4.458 8.859 -0.432 1.00 0.27 C ATOM 588 O LEU A 40 4.343 8.368 0.676 1.00 0.34 O ATOM 589 CB LEU A 40 2.418 10.296 -0.608 1.00 0.31 C ATOM 590 CG LEU A 40 2.953 11.716 -0.752 1.00 0.49 C ATOM 591 CD1 LEU A 40 2.809 12.180 -2.187 1.00 0.66 C ATOM 592 CD2 LEU A 40 2.232 12.657 0.197 1.00 0.95 C ATOM 0 H LEU A 40 2.099 7.682 -0.405 1.00 0.25 H new ATOM 0 HA LEU A 40 3.507 9.515 -2.263 1.00 0.24 H new ATOM 0 HB2 LEU A 40 1.411 10.270 -1.023 1.00 0.31 H new ATOM 0 HB3 LEU A 40 2.330 10.073 0.455 1.00 0.31 H new ATOM 0 HG LEU A 40 4.011 11.722 -0.490 1.00 0.49 H new ATOM 0 HD11 LEU A 40 3.194 13.196 -2.281 1.00 0.66 H new ATOM 0 HD12 LEU A 40 3.373 11.516 -2.842 1.00 0.66 H new ATOM 0 HD13 LEU A 40 1.757 12.163 -2.471 1.00 0.66 H new ATOM 0 HD21 LEU A 40 2.628 13.666 0.080 1.00 0.95 H new ATOM 0 HD22 LEU A 40 1.166 12.657 -0.030 1.00 0.95 H new ATOM 0 HD23 LEU A 40 2.384 12.325 1.224 1.00 0.95 H new ATOM 604 N PHE A 41 5.592 9.121 -0.954 1.00 0.28 N ATOM 605 CA PHE A 41 6.827 8.821 -0.305 1.00 0.35 C ATOM 606 C PHE A 41 7.562 10.107 -0.026 1.00 0.38 C ATOM 607 O PHE A 41 8.191 10.672 -0.919 1.00 0.41 O ATOM 608 CB PHE A 41 7.658 7.877 -1.196 1.00 0.45 C ATOM 609 CG PHE A 41 9.041 7.576 -0.692 1.00 0.58 C ATOM 610 CD1 PHE A 41 10.154 8.073 -1.337 1.00 0.75 C ATOM 611 CD2 PHE A 41 9.221 6.802 0.443 1.00 0.60 C ATOM 612 CE1 PHE A 41 11.418 7.803 -0.864 1.00 0.88 C ATOM 613 CE2 PHE A 41 10.483 6.527 0.919 1.00 0.74 C ATOM 614 CZ PHE A 41 11.599 7.014 0.208 1.00 0.86 C ATOM 0 H PHE A 41 5.701 9.561 -1.868 1.00 0.28 H new ATOM 0 HA PHE A 41 6.646 8.316 0.644 1.00 0.35 H new ATOM 0 HB2 PHE A 41 7.116 6.938 -1.307 1.00 0.45 H new ATOM 0 HB3 PHE A 41 7.738 8.318 -2.190 1.00 0.45 H new ATOM 0 HD1 PHE A 41 10.033 8.680 -2.222 1.00 0.75 H new ATOM 0 HD2 PHE A 41 8.359 6.409 0.962 1.00 0.60 H new ATOM 0 HE1 PHE A 41 12.276 8.231 -1.361 1.00 0.88 H new ATOM 0 HE2 PHE A 41 10.616 5.948 1.821 1.00 0.74 H new ATOM 0 HZ PHE A 41 12.598 6.753 0.525 1.00 0.86 H new ATOM 624 N ASN A 42 7.429 10.581 1.206 1.00 0.46 N ATOM 625 CA ASN A 42 8.070 11.814 1.683 1.00 0.57 C ATOM 626 C ASN A 42 7.762 12.980 0.724 1.00 0.53 C ATOM 627 O ASN A 42 8.649 13.573 0.105 1.00 0.69 O ATOM 628 CB ASN A 42 9.596 11.595 1.888 1.00 0.73 C ATOM 629 CG ASN A 42 10.315 12.782 2.529 1.00 1.12 C ATOM 630 OD1 ASN A 42 10.845 13.658 1.844 1.00 1.79 O ATOM 631 ND2 ASN A 42 10.344 12.816 3.839 1.00 1.72 N ATOM 0 H ASN A 42 6.865 10.117 1.918 1.00 0.46 H new ATOM 0 HA ASN A 42 7.658 12.081 2.656 1.00 0.57 H new ATOM 0 HB2 ASN A 42 9.745 10.713 2.511 1.00 0.73 H new ATOM 0 HB3 ASN A 42 10.055 11.384 0.922 1.00 0.73 H new ATOM 0 HD21 ASN A 42 10.815 13.583 4.319 1.00 1.72 H new ATOM 0 HD22 ASN A 42 9.896 12.075 4.378 1.00 1.72 H new ATOM 638 N GLY A 43 6.475 13.219 0.526 1.00 0.45 N ATOM 639 CA GLY A 43 6.017 14.304 -0.340 1.00 0.51 C ATOM 640 C GLY A 43 6.106 13.982 -1.834 1.00 0.47 C ATOM 641 O GLY A 43 5.514 14.676 -2.664 1.00 0.61 O ATOM 0 H GLY A 43 5.724 12.677 0.953 1.00 0.45 H new ATOM 0 HA2 GLY A 43 4.983 14.544 -0.091 1.00 0.51 H new ATOM 0 HA3 GLY A 43 6.610 15.195 -0.134 1.00 0.51 H new ATOM 645 N SER A 44 6.818 12.939 -2.171 1.00 0.38 N ATOM 646 CA SER A 44 7.007 12.554 -3.545 1.00 0.40 C ATOM 647 C SER A 44 6.011 11.491 -3.891 1.00 0.33 C ATOM 648 O SER A 44 5.707 10.637 -3.077 1.00 0.28 O ATOM 649 CB SER A 44 8.421 12.008 -3.714 1.00 0.51 C ATOM 650 OG SER A 44 9.379 12.875 -3.114 1.00 1.37 O ATOM 0 H SER A 44 7.285 12.331 -1.498 1.00 0.38 H new ATOM 0 HA SER A 44 6.867 13.412 -4.202 1.00 0.40 H new ATOM 0 HB2 SER A 44 8.489 11.018 -3.263 1.00 0.51 H new ATOM 0 HB3 SER A 44 8.645 11.891 -4.774 1.00 0.51 H new ATOM 0 HG SER A 44 10.278 12.503 -3.234 1.00 1.37 H new ATOM 656 N VAL A 45 5.478 11.552 -5.069 1.00 0.41 N ATOM 657 CA VAL A 45 4.578 10.533 -5.506 1.00 0.41 C ATOM 658 C VAL A 45 5.400 9.304 -5.814 1.00 0.39 C ATOM 659 O VAL A 45 6.367 9.378 -6.595 1.00 0.45 O ATOM 660 CB VAL A 45 3.765 10.952 -6.751 1.00 0.55 C ATOM 661 CG1 VAL A 45 2.897 9.818 -7.222 1.00 0.68 C ATOM 662 CG2 VAL A 45 2.900 12.143 -6.452 1.00 0.70 C ATOM 0 H VAL A 45 5.650 12.296 -5.745 1.00 0.41 H new ATOM 0 HA VAL A 45 3.851 10.341 -4.717 1.00 0.41 H new ATOM 0 HB VAL A 45 4.475 11.215 -7.535 1.00 0.55 H new ATOM 0 HG11 VAL A 45 2.332 10.132 -8.100 1.00 0.68 H new ATOM 0 HG12 VAL A 45 3.523 8.964 -7.480 1.00 0.68 H new ATOM 0 HG13 VAL A 45 2.206 9.535 -6.428 1.00 0.68 H new ATOM 0 HG21 VAL A 45 2.338 12.418 -7.345 1.00 0.70 H new ATOM 0 HG22 VAL A 45 2.206 11.896 -5.648 1.00 0.70 H new ATOM 0 HG23 VAL A 45 3.527 12.980 -6.146 1.00 0.70 H new ATOM 672 N LEU A 46 5.069 8.210 -5.171 1.00 0.37 N ATOM 673 CA LEU A 46 5.798 6.989 -5.353 1.00 0.40 C ATOM 674 C LEU A 46 5.398 6.352 -6.657 1.00 0.44 C ATOM 675 O LEU A 46 4.276 5.849 -6.804 1.00 0.51 O ATOM 676 CB LEU A 46 5.542 6.020 -4.204 1.00 0.44 C ATOM 677 CG LEU A 46 6.299 4.690 -4.268 1.00 0.51 C ATOM 678 CD1 LEU A 46 7.794 4.895 -4.078 1.00 0.57 C ATOM 679 CD2 LEU A 46 5.747 3.707 -3.256 1.00 0.61 C ATOM 0 H LEU A 46 4.292 8.146 -4.513 1.00 0.37 H new ATOM 0 HA LEU A 46 6.862 7.223 -5.369 1.00 0.40 H new ATOM 0 HB2 LEU A 46 5.801 6.518 -3.270 1.00 0.44 H new ATOM 0 HB3 LEU A 46 4.474 5.806 -4.166 1.00 0.44 H new ATOM 0 HG LEU A 46 6.151 4.268 -5.262 1.00 0.51 H new ATOM 0 HD11 LEU A 46 8.303 3.932 -4.129 1.00 0.57 H new ATOM 0 HD12 LEU A 46 8.174 5.548 -4.863 1.00 0.57 H new ATOM 0 HD13 LEU A 46 7.978 5.352 -3.106 1.00 0.57 H new ATOM 0 HD21 LEU A 46 6.300 2.770 -3.320 1.00 0.61 H new ATOM 0 HD22 LEU A 46 5.850 4.121 -2.253 1.00 0.61 H new ATOM 0 HD23 LEU A 46 4.694 3.522 -3.466 1.00 0.61 H new ATOM 691 N ASN A 47 6.280 6.417 -7.605 1.00 0.54 N ATOM 692 CA ASN A 47 6.044 5.798 -8.874 1.00 0.59 C ATOM 693 C ASN A 47 6.401 4.344 -8.768 1.00 0.53 C ATOM 694 O ASN A 47 7.514 3.998 -8.328 1.00 0.64 O ATOM 695 CB ASN A 47 6.862 6.452 -9.992 1.00 0.79 C ATOM 696 CG ASN A 47 6.441 7.873 -10.311 1.00 1.54 C ATOM 697 OD1 ASN A 47 6.958 8.835 -9.741 1.00 2.47 O ATOM 698 ND2 ASN A 47 5.521 8.025 -11.230 1.00 1.94 N ATOM 0 H ASN A 47 7.177 6.896 -7.524 1.00 0.54 H new ATOM 0 HA ASN A 47 4.991 5.921 -9.129 1.00 0.59 H new ATOM 0 HB2 ASN A 47 7.914 6.451 -9.707 1.00 0.79 H new ATOM 0 HB3 ASN A 47 6.775 5.847 -10.894 1.00 0.79 H new ATOM 0 HD21 ASN A 47 5.213 8.961 -11.493 1.00 1.94 H new ATOM 0 HD22 ASN A 47 5.113 7.207 -11.683 1.00 1.94 H new ATOM 705 N GLU A 48 5.475 3.496 -9.121 1.00 0.49 N ATOM 706 CA GLU A 48 5.692 2.079 -9.066 1.00 0.53 C ATOM 707 C GLU A 48 6.556 1.641 -10.230 1.00 0.53 C ATOM 708 O GLU A 48 6.586 2.295 -11.284 1.00 0.70 O ATOM 709 CB GLU A 48 4.373 1.334 -9.060 1.00 0.69 C ATOM 710 CG GLU A 48 3.503 1.651 -7.862 1.00 0.74 C ATOM 711 CD GLU A 48 2.201 0.921 -7.910 1.00 1.12 C ATOM 712 OE1 GLU A 48 1.176 1.537 -8.280 1.00 1.56 O ATOM 713 OE2 GLU A 48 2.168 -0.281 -7.580 1.00 1.74 O ATOM 0 H GLU A 48 4.550 3.768 -9.454 1.00 0.49 H new ATOM 0 HA GLU A 48 6.213 1.840 -8.139 1.00 0.53 H new ATOM 0 HB2 GLU A 48 3.825 1.575 -9.971 1.00 0.69 H new ATOM 0 HB3 GLU A 48 4.571 0.262 -9.082 1.00 0.69 H new ATOM 0 HG2 GLU A 48 4.034 1.386 -6.948 1.00 0.74 H new ATOM 0 HG3 GLU A 48 3.316 2.724 -7.823 1.00 0.74 H new ATOM 720 N THR A 49 7.262 0.568 -10.038 1.00 0.53 N ATOM 721 CA THR A 49 8.177 0.067 -11.010 1.00 0.58 C ATOM 722 C THR A 49 8.570 -1.368 -10.625 1.00 0.60 C ATOM 723 O THR A 49 8.037 -1.885 -9.653 1.00 0.65 O ATOM 724 CB THR A 49 9.430 1.019 -11.138 1.00 0.71 C ATOM 725 OG1 THR A 49 10.387 0.537 -12.099 1.00 1.57 O ATOM 726 CG2 THR A 49 10.107 1.246 -9.790 1.00 0.98 C ATOM 0 H THR A 49 7.215 0.009 -9.186 1.00 0.53 H new ATOM 0 HA THR A 49 7.706 0.043 -11.993 1.00 0.58 H new ATOM 0 HB THR A 49 9.048 1.975 -11.498 1.00 0.71 H new ATOM 0 HG1 THR A 49 11.144 1.158 -12.146 1.00 1.57 H new ATOM 0 HG21 THR A 49 10.965 1.906 -9.920 1.00 0.98 H new ATOM 0 HG22 THR A 49 9.398 1.703 -9.099 1.00 0.98 H new ATOM 0 HG23 THR A 49 10.442 0.291 -9.386 1.00 0.98 H new ATOM 734 N SER A 50 9.479 -2.001 -11.327 1.00 0.68 N ATOM 735 CA SER A 50 9.857 -3.362 -10.997 1.00 0.78 C ATOM 736 C SER A 50 10.612 -3.441 -9.644 1.00 0.72 C ATOM 737 O SER A 50 10.717 -4.502 -9.049 1.00 0.86 O ATOM 738 CB SER A 50 10.662 -3.965 -12.133 1.00 0.96 C ATOM 739 OG SER A 50 9.948 -3.817 -13.359 1.00 1.52 O ATOM 0 H SER A 50 9.971 -1.602 -12.127 1.00 0.68 H new ATOM 0 HA SER A 50 8.948 -3.951 -10.872 1.00 0.78 H new ATOM 0 HB2 SER A 50 11.633 -3.474 -12.205 1.00 0.96 H new ATOM 0 HB3 SER A 50 10.852 -5.020 -11.937 1.00 0.96 H new ATOM 0 HG SER A 50 10.471 -4.206 -14.091 1.00 1.52 H new ATOM 745 N PHE A 51 11.121 -2.307 -9.173 1.00 0.64 N ATOM 746 CA PHE A 51 11.761 -2.243 -7.859 1.00 0.68 C ATOM 747 C PHE A 51 10.711 -2.172 -6.744 1.00 0.55 C ATOM 748 O PHE A 51 10.851 -2.816 -5.709 1.00 0.61 O ATOM 749 CB PHE A 51 12.678 -1.014 -7.726 1.00 0.87 C ATOM 750 CG PHE A 51 13.859 -0.967 -8.650 1.00 1.08 C ATOM 751 CD1 PHE A 51 14.969 -1.760 -8.414 1.00 1.39 C ATOM 752 CD2 PHE A 51 13.876 -0.107 -9.733 1.00 1.16 C ATOM 753 CE1 PHE A 51 16.072 -1.699 -9.243 1.00 1.59 C ATOM 754 CE2 PHE A 51 14.975 -0.044 -10.567 1.00 1.37 C ATOM 755 CZ PHE A 51 16.073 -0.841 -10.321 1.00 1.52 C ATOM 0 H PHE A 51 11.104 -1.421 -9.678 1.00 0.64 H new ATOM 0 HA PHE A 51 12.357 -3.150 -7.763 1.00 0.68 H new ATOM 0 HB2 PHE A 51 12.078 -0.119 -7.891 1.00 0.87 H new ATOM 0 HB3 PHE A 51 13.043 -0.968 -6.700 1.00 0.87 H new ATOM 0 HD1 PHE A 51 14.972 -2.435 -7.571 1.00 1.39 H new ATOM 0 HD2 PHE A 51 13.020 0.522 -9.929 1.00 1.16 H new ATOM 0 HE1 PHE A 51 16.932 -2.322 -9.047 1.00 1.59 H new ATOM 0 HE2 PHE A 51 14.974 0.629 -11.412 1.00 1.37 H new ATOM 0 HZ PHE A 51 16.933 -0.793 -10.973 1.00 1.52 H new ATOM 765 N ILE A 52 9.655 -1.407 -6.977 1.00 0.46 N ATOM 766 CA ILE A 52 8.644 -1.125 -5.955 1.00 0.39 C ATOM 767 C ILE A 52 7.263 -1.248 -6.580 1.00 0.37 C ATOM 768 O ILE A 52 6.927 -0.470 -7.469 1.00 0.43 O ATOM 769 CB ILE A 52 8.789 0.339 -5.428 1.00 0.41 C ATOM 770 CG1 ILE A 52 10.219 0.626 -4.938 1.00 0.46 C ATOM 771 CG2 ILE A 52 7.779 0.608 -4.316 1.00 0.41 C ATOM 772 CD1 ILE A 52 10.441 2.059 -4.499 1.00 0.50 C ATOM 0 H ILE A 52 9.470 -0.962 -7.876 1.00 0.46 H new ATOM 0 HA ILE A 52 8.777 -1.830 -5.135 1.00 0.39 H new ATOM 0 HB ILE A 52 8.584 1.012 -6.260 1.00 0.41 H new ATOM 0 HG12 ILE A 52 10.447 -0.039 -4.105 1.00 0.46 H new ATOM 0 HG13 ILE A 52 10.921 0.388 -5.737 1.00 0.46 H new ATOM 0 HG21 ILE A 52 7.894 1.632 -3.960 1.00 0.41 H new ATOM 0 HG22 ILE A 52 6.769 0.468 -4.701 1.00 0.41 H new ATOM 0 HG23 ILE A 52 7.952 -0.084 -3.492 1.00 0.41 H new ATOM 0 HD11 ILE A 52 11.472 2.182 -4.168 1.00 0.50 H new ATOM 0 HD12 ILE A 52 10.246 2.730 -5.335 1.00 0.50 H new ATOM 0 HD13 ILE A 52 9.765 2.297 -3.678 1.00 0.50 H new ATOM 784 N PHE A 53 6.478 -2.193 -6.134 1.00 0.33 N ATOM 785 CA PHE A 53 5.149 -2.396 -6.694 1.00 0.37 C ATOM 786 C PHE A 53 4.130 -2.781 -5.626 1.00 0.31 C ATOM 787 O PHE A 53 4.465 -3.447 -4.626 1.00 0.29 O ATOM 788 CB PHE A 53 5.184 -3.422 -7.852 1.00 0.48 C ATOM 789 CG PHE A 53 6.003 -4.665 -7.585 1.00 1.06 C ATOM 790 CD1 PHE A 53 7.248 -4.839 -8.153 1.00 1.95 C ATOM 791 CD2 PHE A 53 5.515 -5.657 -6.752 1.00 1.15 C ATOM 792 CE1 PHE A 53 7.989 -5.974 -7.901 1.00 2.87 C ATOM 793 CE2 PHE A 53 6.252 -6.792 -6.497 1.00 2.02 C ATOM 794 CZ PHE A 53 7.521 -6.941 -7.119 1.00 2.89 C ATOM 0 H PHE A 53 6.727 -2.839 -5.385 1.00 0.33 H new ATOM 0 HA PHE A 53 4.821 -1.442 -7.107 1.00 0.37 H new ATOM 0 HB2 PHE A 53 4.162 -3.722 -8.082 1.00 0.48 H new ATOM 0 HB3 PHE A 53 5.579 -2.930 -8.741 1.00 0.48 H new ATOM 0 HD1 PHE A 53 7.648 -4.076 -8.804 1.00 1.95 H new ATOM 0 HD2 PHE A 53 4.543 -5.539 -6.296 1.00 1.15 H new ATOM 0 HE1 PHE A 53 8.967 -6.079 -8.347 1.00 2.87 H new ATOM 0 HE2 PHE A 53 5.872 -7.556 -5.835 1.00 2.02 H new ATOM 0 HZ PHE A 53 8.103 -7.836 -6.957 1.00 2.89 H new ATOM 804 N THR A 54 2.906 -2.322 -5.817 1.00 0.35 N ATOM 805 CA THR A 54 1.825 -2.598 -4.900 1.00 0.35 C ATOM 806 C THR A 54 1.226 -3.971 -5.201 1.00 0.35 C ATOM 807 O THR A 54 0.607 -4.174 -6.256 1.00 0.40 O ATOM 808 CB THR A 54 0.702 -1.541 -5.036 1.00 0.39 C ATOM 809 OG1 THR A 54 1.264 -0.221 -5.050 1.00 0.43 O ATOM 810 CG2 THR A 54 -0.265 -1.644 -3.870 1.00 0.44 C ATOM 0 H THR A 54 2.638 -1.747 -6.615 1.00 0.35 H new ATOM 0 HA THR A 54 2.231 -2.571 -3.889 1.00 0.35 H new ATOM 0 HB THR A 54 0.172 -1.728 -5.970 1.00 0.39 H new ATOM 0 HG1 THR A 54 1.956 -0.167 -5.742 1.00 0.43 H new ATOM 0 HG21 THR A 54 -1.049 -0.894 -3.980 1.00 0.44 H new ATOM 0 HG22 THR A 54 -0.713 -2.638 -3.855 1.00 0.44 H new ATOM 0 HG23 THR A 54 0.271 -1.474 -2.936 1.00 0.44 H new ATOM 818 N GLU A 55 1.428 -4.896 -4.308 1.00 0.36 N ATOM 819 CA GLU A 55 0.893 -6.227 -4.433 1.00 0.42 C ATOM 820 C GLU A 55 -0.477 -6.265 -3.799 1.00 0.44 C ATOM 821 O GLU A 55 -0.697 -5.645 -2.754 1.00 0.57 O ATOM 822 CB GLU A 55 1.798 -7.223 -3.718 1.00 0.60 C ATOM 823 CG GLU A 55 3.194 -7.309 -4.283 1.00 1.21 C ATOM 824 CD GLU A 55 3.270 -8.095 -5.564 1.00 1.38 C ATOM 825 OE1 GLU A 55 2.783 -7.625 -6.603 1.00 1.67 O ATOM 826 OE2 GLU A 55 3.847 -9.194 -5.555 1.00 2.04 O ATOM 0 H GLU A 55 1.976 -4.748 -3.460 1.00 0.36 H new ATOM 0 HA GLU A 55 0.830 -6.493 -5.488 1.00 0.42 H new ATOM 0 HB2 GLU A 55 1.861 -6.948 -2.665 1.00 0.60 H new ATOM 0 HB3 GLU A 55 1.339 -8.211 -3.763 1.00 0.60 H new ATOM 0 HG2 GLU A 55 3.569 -6.301 -4.460 1.00 1.21 H new ATOM 0 HG3 GLU A 55 3.850 -7.768 -3.544 1.00 1.21 H new ATOM 833 N PHE A 56 -1.377 -6.963 -4.419 1.00 0.52 N ATOM 834 CA PHE A 56 -2.717 -7.132 -3.909 1.00 0.62 C ATOM 835 C PHE A 56 -2.990 -8.605 -3.743 1.00 0.73 C ATOM 836 O PHE A 56 -2.569 -9.418 -4.576 1.00 0.87 O ATOM 837 CB PHE A 56 -3.759 -6.513 -4.852 1.00 0.68 C ATOM 838 CG PHE A 56 -3.710 -5.013 -4.955 1.00 0.63 C ATOM 839 CD1 PHE A 56 -4.418 -4.232 -4.060 1.00 0.69 C ATOM 840 CD2 PHE A 56 -2.976 -4.387 -5.951 1.00 0.61 C ATOM 841 CE1 PHE A 56 -4.395 -2.859 -4.148 1.00 0.69 C ATOM 842 CE2 PHE A 56 -2.948 -3.009 -6.045 1.00 0.59 C ATOM 843 CZ PHE A 56 -3.660 -2.243 -5.141 1.00 0.61 C ATOM 0 H PHE A 56 -1.207 -7.440 -5.304 1.00 0.52 H new ATOM 0 HA PHE A 56 -2.794 -6.620 -2.950 1.00 0.62 H new ATOM 0 HB2 PHE A 56 -3.623 -6.935 -5.848 1.00 0.68 H new ATOM 0 HB3 PHE A 56 -4.753 -6.807 -4.514 1.00 0.68 H new ATOM 0 HD1 PHE A 56 -4.997 -4.706 -3.281 1.00 0.69 H new ATOM 0 HD2 PHE A 56 -2.421 -4.983 -6.660 1.00 0.61 H new ATOM 0 HE1 PHE A 56 -4.952 -2.263 -3.440 1.00 0.69 H new ATOM 0 HE2 PHE A 56 -2.371 -2.531 -6.823 1.00 0.59 H new ATOM 0 HZ PHE A 56 -3.641 -1.165 -5.211 1.00 0.61 H new ATOM 853 N LEU A 57 -3.663 -8.964 -2.689 1.00 0.77 N ATOM 854 CA LEU A 57 -3.985 -10.345 -2.449 1.00 0.93 C ATOM 855 C LEU A 57 -5.482 -10.461 -2.332 1.00 1.04 C ATOM 856 O LEU A 57 -6.152 -9.497 -1.946 1.00 1.04 O ATOM 857 CB LEU A 57 -3.229 -10.876 -1.204 1.00 1.01 C ATOM 858 CG LEU A 57 -3.592 -10.322 0.174 1.00 0.99 C ATOM 859 CD1 LEU A 57 -4.789 -11.050 0.768 1.00 1.25 C ATOM 860 CD2 LEU A 57 -2.405 -10.400 1.097 1.00 1.16 C ATOM 0 H LEU A 57 -4.002 -8.317 -1.977 1.00 0.77 H new ATOM 0 HA LEU A 57 -3.657 -10.973 -3.278 1.00 0.93 H new ATOM 0 HB2 LEU A 57 -3.367 -11.957 -1.171 1.00 1.01 H new ATOM 0 HB3 LEU A 57 -2.166 -10.695 -1.362 1.00 1.01 H new ATOM 0 HG LEU A 57 -3.872 -9.276 0.054 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -5.020 -10.631 1.747 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -5.650 -10.931 0.110 1.00 1.25 H new ATOM 0 HD13 LEU A 57 -4.555 -12.110 0.872 1.00 1.25 H new ATOM 0 HD21 LEU A 57 -2.677 -10.002 2.075 1.00 1.16 H new ATOM 0 HD22 LEU A 57 -2.093 -11.439 1.202 1.00 1.16 H new ATOM 0 HD23 LEU A 57 -1.583 -9.815 0.683 1.00 1.16 H new ATOM 872 N GLU A 58 -5.992 -11.610 -2.681 1.00 1.18 N ATOM 873 CA GLU A 58 -7.421 -11.861 -2.745 1.00 1.31 C ATOM 874 C GLU A 58 -8.101 -11.741 -1.379 1.00 1.24 C ATOM 875 O GLU A 58 -7.744 -12.461 -0.441 1.00 1.32 O ATOM 876 CB GLU A 58 -7.658 -13.251 -3.299 1.00 1.61 C ATOM 877 CG GLU A 58 -7.005 -13.491 -4.645 1.00 2.01 C ATOM 878 CD GLU A 58 -7.435 -12.507 -5.690 1.00 2.65 C ATOM 879 OE1 GLU A 58 -6.628 -11.641 -6.081 1.00 3.36 O ATOM 880 OE2 GLU A 58 -8.596 -12.572 -6.130 1.00 2.90 O ATOM 0 H GLU A 58 -5.423 -12.418 -2.935 1.00 1.18 H new ATOM 0 HA GLU A 58 -7.857 -11.102 -3.395 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -7.282 -13.985 -2.587 1.00 1.61 H new ATOM 0 HB3 GLU A 58 -8.731 -13.417 -3.391 1.00 1.61 H new ATOM 0 HG2 GLU A 58 -5.922 -13.441 -4.531 1.00 2.01 H new ATOM 0 HG3 GLU A 58 -7.244 -14.499 -4.984 1.00 2.01 H new ATOM 887 N PRO A 59 -9.072 -10.819 -1.242 1.00 1.21 N ATOM 888 CA PRO A 59 -9.843 -10.666 -0.012 1.00 1.25 C ATOM 889 C PRO A 59 -10.877 -11.783 0.109 1.00 1.26 C ATOM 890 O PRO A 59 -11.287 -12.389 -0.900 1.00 1.35 O ATOM 891 CB PRO A 59 -10.566 -9.313 -0.198 1.00 1.37 C ATOM 892 CG PRO A 59 -9.982 -8.705 -1.428 1.00 1.39 C ATOM 893 CD PRO A 59 -9.497 -9.849 -2.259 1.00 1.30 C ATOM 0 HA PRO A 59 -9.220 -10.706 0.881 1.00 1.25 H new ATOM 0 HB2 PRO A 59 -11.641 -9.456 -0.305 1.00 1.37 H new ATOM 0 HB3 PRO A 59 -10.415 -8.667 0.667 1.00 1.37 H new ATOM 0 HG2 PRO A 59 -10.727 -8.120 -1.966 1.00 1.39 H new ATOM 0 HG3 PRO A 59 -9.164 -8.029 -1.179 1.00 1.39 H new ATOM 0 HD2 PRO A 59 -10.284 -10.249 -2.898 1.00 1.30 H new ATOM 0 HD3 PRO A 59 -8.674 -9.557 -2.911 1.00 1.30 H new ATOM 901 N ALA A 60 -11.285 -12.060 1.321 1.00 1.29 N ATOM 902 CA ALA A 60 -12.278 -13.070 1.571 1.00 1.40 C ATOM 903 C ALA A 60 -13.647 -12.492 1.263 1.00 1.40 C ATOM 904 O ALA A 60 -13.891 -11.312 1.479 1.00 1.33 O ATOM 905 CB ALA A 60 -12.193 -13.529 3.010 1.00 1.53 C ATOM 0 H ALA A 60 -10.939 -11.593 2.159 1.00 1.29 H new ATOM 0 HA ALA A 60 -12.105 -13.936 0.933 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -12.948 -14.294 3.193 1.00 1.53 H new ATOM 0 HB2 ALA A 60 -11.203 -13.943 3.202 1.00 1.53 H new ATOM 0 HB3 ALA A 60 -12.367 -12.682 3.673 1.00 1.53 H new ATOM 911 N ALA A 61 -14.539 -13.335 0.784 1.00 1.55 N ATOM 912 CA ALA A 61 -15.853 -12.920 0.275 1.00 1.65 C ATOM 913 C ALA A 61 -16.775 -12.336 1.340 1.00 1.59 C ATOM 914 O ALA A 61 -17.819 -11.766 1.018 1.00 1.70 O ATOM 915 CB ALA A 61 -16.527 -14.074 -0.432 1.00 1.91 C ATOM 0 H ALA A 61 -14.381 -14.341 0.732 1.00 1.55 H new ATOM 0 HA ALA A 61 -15.663 -12.111 -0.430 1.00 1.65 H new ATOM 0 HB1 ALA A 61 -17.500 -13.754 -0.805 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -15.908 -14.400 -1.268 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -16.660 -14.901 0.266 1.00 1.91 H new ATOM 921 N ASN A 62 -16.422 -12.507 2.586 1.00 1.52 N ATOM 922 CA ASN A 62 -17.205 -11.949 3.670 1.00 1.56 C ATOM 923 C ASN A 62 -16.725 -10.549 4.041 1.00 1.33 C ATOM 924 O ASN A 62 -17.484 -9.742 4.594 1.00 1.40 O ATOM 925 CB ASN A 62 -17.170 -12.874 4.897 1.00 1.82 C ATOM 926 CG ASN A 62 -17.907 -12.301 6.099 1.00 2.72 C ATOM 927 OD1 ASN A 62 -17.317 -11.644 6.965 1.00 3.49 O ATOM 928 ND2 ASN A 62 -19.187 -12.532 6.162 1.00 3.19 N ATOM 0 H ASN A 62 -15.597 -13.028 2.882 1.00 1.52 H new ATOM 0 HA ASN A 62 -18.236 -11.868 3.325 1.00 1.56 H new ATOM 0 HB2 ASN A 62 -17.611 -13.835 4.632 1.00 1.82 H new ATOM 0 HB3 ASN A 62 -16.132 -13.064 5.172 1.00 1.82 H new ATOM 0 HD21 ASN A 62 -19.733 -12.167 6.942 1.00 3.19 H new ATOM 0 HD22 ASN A 62 -19.643 -13.078 5.431 1.00 3.19 H new ATOM 935 N GLU A 63 -15.506 -10.233 3.700 1.00 1.20 N ATOM 936 CA GLU A 63 -14.950 -8.983 4.129 1.00 1.07 C ATOM 937 C GLU A 63 -15.028 -7.945 3.022 1.00 0.90 C ATOM 938 O GLU A 63 -15.237 -8.269 1.848 1.00 0.97 O ATOM 939 CB GLU A 63 -13.500 -9.162 4.612 1.00 1.16 C ATOM 940 CG GLU A 63 -12.487 -9.452 3.514 1.00 1.31 C ATOM 941 CD GLU A 63 -11.110 -9.689 4.049 1.00 1.42 C ATOM 942 OE1 GLU A 63 -10.640 -8.888 4.884 1.00 1.48 O ATOM 943 OE2 GLU A 63 -10.455 -10.678 3.633 1.00 1.89 O ATOM 0 H GLU A 63 -14.888 -10.815 3.135 1.00 1.20 H new ATOM 0 HA GLU A 63 -15.543 -8.624 4.970 1.00 1.07 H new ATOM 0 HB2 GLU A 63 -13.194 -8.258 5.138 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -13.472 -9.977 5.336 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -12.809 -10.327 2.950 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -12.463 -8.614 2.817 1.00 1.31 H new ATOM 950 N THR A 64 -14.888 -6.711 3.402 1.00 0.80 N ATOM 951 CA THR A 64 -14.868 -5.621 2.470 1.00 0.74 C ATOM 952 C THR A 64 -13.527 -4.896 2.657 1.00 0.59 C ATOM 953 O THR A 64 -13.394 -3.679 2.471 1.00 0.61 O ATOM 954 CB THR A 64 -16.048 -4.668 2.751 1.00 0.90 C ATOM 955 OG1 THR A 64 -17.210 -5.459 3.057 1.00 1.30 O ATOM 956 CG2 THR A 64 -16.362 -3.832 1.520 1.00 1.15 C ATOM 0 H THR A 64 -14.783 -6.428 4.376 1.00 0.80 H new ATOM 0 HA THR A 64 -14.969 -5.976 1.444 1.00 0.74 H new ATOM 0 HB THR A 64 -15.783 -4.011 3.579 1.00 0.90 H new ATOM 0 HG1 THR A 64 -17.970 -4.867 3.240 1.00 1.30 H new ATOM 0 HG21 THR A 64 -17.197 -3.165 1.736 1.00 1.15 H new ATOM 0 HG22 THR A 64 -15.487 -3.241 1.248 1.00 1.15 H new ATOM 0 HG23 THR A 64 -16.627 -4.489 0.692 1.00 1.15 H new ATOM 964 N VAL A 65 -12.540 -5.677 3.063 1.00 0.53 N ATOM 965 CA VAL A 65 -11.222 -5.177 3.328 1.00 0.45 C ATOM 966 C VAL A 65 -10.293 -5.646 2.231 1.00 0.42 C ATOM 967 O VAL A 65 -10.236 -6.831 1.921 1.00 0.49 O ATOM 968 CB VAL A 65 -10.662 -5.682 4.680 1.00 0.52 C ATOM 969 CG1 VAL A 65 -9.358 -4.988 5.021 1.00 0.50 C ATOM 970 CG2 VAL A 65 -11.673 -5.543 5.804 1.00 0.61 C ATOM 0 H VAL A 65 -12.642 -6.680 3.216 1.00 0.53 H new ATOM 0 HA VAL A 65 -11.285 -4.090 3.369 1.00 0.45 H new ATOM 0 HB VAL A 65 -10.458 -6.747 4.568 1.00 0.52 H new ATOM 0 HG11 VAL A 65 -8.986 -5.361 5.975 1.00 0.50 H new ATOM 0 HG12 VAL A 65 -8.624 -5.190 4.241 1.00 0.50 H new ATOM 0 HG13 VAL A 65 -9.526 -3.913 5.092 1.00 0.50 H new ATOM 0 HG21 VAL A 65 -11.237 -5.910 6.733 1.00 0.61 H new ATOM 0 HG22 VAL A 65 -11.946 -4.494 5.920 1.00 0.61 H new ATOM 0 HG23 VAL A 65 -12.563 -6.125 5.567 1.00 0.61 H new ATOM 980 N ARG A 66 -9.577 -4.733 1.662 1.00 0.37 N ATOM 981 CA ARG A 66 -8.629 -5.026 0.617 1.00 0.36 C ATOM 982 C ARG A 66 -7.289 -5.245 1.284 1.00 0.34 C ATOM 983 O ARG A 66 -6.895 -4.456 2.155 1.00 0.41 O ATOM 984 CB ARG A 66 -8.531 -3.843 -0.346 1.00 0.42 C ATOM 985 CG ARG A 66 -9.861 -3.411 -0.957 1.00 1.13 C ATOM 986 CD ARG A 66 -9.721 -2.132 -1.785 1.00 1.10 C ATOM 987 NE ARG A 66 -8.816 -2.296 -2.929 1.00 0.82 N ATOM 988 CZ ARG A 66 -8.447 -1.329 -3.783 1.00 1.15 C ATOM 989 NH1 ARG A 66 -8.832 -0.076 -3.585 1.00 1.61 N ATOM 990 NH2 ARG A 66 -7.689 -1.620 -4.829 1.00 1.84 N ATOM 0 H ARG A 66 -9.629 -3.744 1.908 1.00 0.37 H new ATOM 0 HA ARG A 66 -8.937 -5.905 0.051 1.00 0.36 H new ATOM 0 HB2 ARG A 66 -8.097 -2.995 0.184 1.00 0.42 H new ATOM 0 HB3 ARG A 66 -7.843 -4.102 -1.151 1.00 0.42 H new ATOM 0 HG2 ARG A 66 -10.247 -4.211 -1.588 1.00 1.13 H new ATOM 0 HG3 ARG A 66 -10.590 -3.251 -0.163 1.00 1.13 H new ATOM 0 HD2 ARG A 66 -10.704 -1.827 -2.145 1.00 1.10 H new ATOM 0 HD3 ARG A 66 -9.352 -1.329 -1.147 1.00 1.10 H new ATOM 0 HE ARG A 66 -8.434 -3.228 -3.089 1.00 0.82 H new ATOM 0 HH11 ARG A 66 -9.412 0.158 -2.779 1.00 1.61 H new ATOM 0 HH12 ARG A 66 -8.548 0.654 -4.238 1.00 1.61 H new ATOM 0 HH21 ARG A 66 -7.385 -2.581 -4.987 1.00 1.84 H new ATOM 0 HH22 ARG A 66 -7.410 -0.884 -5.477 1.00 1.84 H new ATOM 1004 N HIS A 67 -6.603 -6.295 0.925 1.00 0.35 N ATOM 1005 CA HIS A 67 -5.332 -6.600 1.553 1.00 0.39 C ATOM 1006 C HIS A 67 -4.267 -6.657 0.509 1.00 0.35 C ATOM 1007 O HIS A 67 -4.512 -7.117 -0.611 1.00 0.46 O ATOM 1008 CB HIS A 67 -5.354 -7.944 2.289 1.00 0.53 C ATOM 1009 CG HIS A 67 -6.366 -8.077 3.375 1.00 0.69 C ATOM 1010 ND1 HIS A 67 -6.068 -7.965 4.712 1.00 1.08 N ATOM 1011 CD2 HIS A 67 -7.671 -8.366 3.312 1.00 0.72 C ATOM 1012 CE1 HIS A 67 -7.149 -8.182 5.414 1.00 1.16 C ATOM 1013 NE2 HIS A 67 -8.127 -8.425 4.582 1.00 0.90 N ATOM 0 H HIS A 67 -6.895 -6.956 0.205 1.00 0.35 H new ATOM 0 HA HIS A 67 -5.134 -5.813 2.281 1.00 0.39 H new ATOM 0 HB2 HIS A 67 -5.529 -8.733 1.558 1.00 0.53 H new ATOM 0 HB3 HIS A 67 -4.366 -8.118 2.716 1.00 0.53 H new ATOM 0 HD2 HIS A 67 -8.251 -8.523 2.414 1.00 0.72 H new ATOM 0 HE1 HIS A 67 -7.221 -8.164 6.491 1.00 1.16 H new ATOM 0 HE2 HIS A 67 -9.090 -8.629 4.851 1.00 0.90 H new ATOM 1022 N GLY A 68 -3.111 -6.205 0.855 1.00 0.30 N ATOM 1023 CA GLY A 68 -2.023 -6.244 -0.051 1.00 0.31 C ATOM 1024 C GLY A 68 -0.731 -5.999 0.653 1.00 0.24 C ATOM 1025 O GLY A 68 -0.678 -6.020 1.894 1.00 0.26 O ATOM 0 H GLY A 68 -2.897 -5.802 1.767 1.00 0.30 H new ATOM 0 HA2 GLY A 68 -1.993 -7.214 -0.547 1.00 0.31 H new ATOM 0 HA3 GLY A 68 -2.166 -5.493 -0.828 1.00 0.31 H new ATOM 1029 N CYS A 69 0.285 -5.736 -0.102 1.00 0.21 N ATOM 1030 CA CYS A 69 1.600 -5.497 0.419 1.00 0.20 C ATOM 1031 C CYS A 69 2.406 -4.674 -0.558 1.00 0.19 C ATOM 1032 O CYS A 69 2.322 -4.878 -1.756 1.00 0.22 O ATOM 1033 CB CYS A 69 2.320 -6.830 0.688 1.00 0.25 C ATOM 1034 SG CYS A 69 4.103 -6.653 1.042 1.00 0.36 S ATOM 0 H CYS A 69 0.228 -5.679 -1.119 1.00 0.21 H new ATOM 0 HA CYS A 69 1.505 -4.949 1.357 1.00 0.20 H new ATOM 0 HB2 CYS A 69 1.840 -7.327 1.531 1.00 0.25 H new ATOM 0 HB3 CYS A 69 2.195 -7.480 -0.178 1.00 0.25 H new ATOM 1039 N LEU A 70 3.133 -3.719 -0.071 1.00 0.20 N ATOM 1040 CA LEU A 70 4.054 -3.017 -0.911 1.00 0.22 C ATOM 1041 C LEU A 70 5.362 -3.775 -0.815 1.00 0.23 C ATOM 1042 O LEU A 70 6.006 -3.782 0.239 1.00 0.24 O ATOM 1043 CB LEU A 70 4.230 -1.562 -0.460 1.00 0.24 C ATOM 1044 CG LEU A 70 5.062 -0.664 -1.387 1.00 0.25 C ATOM 1045 CD1 LEU A 70 4.400 -0.528 -2.745 1.00 0.26 C ATOM 1046 CD2 LEU A 70 5.261 0.703 -0.772 1.00 0.28 C ATOM 0 H LEU A 70 3.108 -3.407 0.900 1.00 0.20 H new ATOM 0 HA LEU A 70 3.691 -2.971 -1.938 1.00 0.22 H new ATOM 0 HB2 LEU A 70 3.242 -1.116 -0.346 1.00 0.24 H new ATOM 0 HB3 LEU A 70 4.695 -1.562 0.526 1.00 0.24 H new ATOM 0 HG LEU A 70 6.036 -1.135 -1.519 1.00 0.25 H new ATOM 0 HD11 LEU A 70 5.008 0.113 -3.384 1.00 0.26 H new ATOM 0 HD12 LEU A 70 4.305 -1.512 -3.204 1.00 0.26 H new ATOM 0 HD13 LEU A 70 3.411 -0.086 -2.625 1.00 0.26 H new ATOM 0 HD21 LEU A 70 5.853 1.322 -1.446 1.00 0.28 H new ATOM 0 HD22 LEU A 70 4.291 1.172 -0.606 1.00 0.28 H new ATOM 0 HD23 LEU A 70 5.783 0.601 0.180 1.00 0.28 H new ATOM 1058 N ARG A 71 5.714 -4.465 -1.866 1.00 0.30 N ATOM 1059 CA ARG A 71 6.901 -5.279 -1.858 1.00 0.35 C ATOM 1060 C ARG A 71 8.021 -4.586 -2.537 1.00 0.36 C ATOM 1061 O ARG A 71 7.912 -4.207 -3.716 1.00 0.42 O ATOM 1062 CB ARG A 71 6.693 -6.656 -2.522 1.00 0.51 C ATOM 1063 CG ARG A 71 5.859 -7.643 -1.730 1.00 1.20 C ATOM 1064 CD ARG A 71 5.794 -8.998 -2.436 1.00 1.20 C ATOM 1065 NE ARG A 71 5.039 -9.993 -1.655 1.00 1.43 N ATOM 1066 CZ ARG A 71 4.146 -10.869 -2.150 1.00 1.80 C ATOM 1067 NH1 ARG A 71 3.730 -10.791 -3.415 1.00 1.98 N ATOM 1068 NH2 ARG A 71 3.641 -11.806 -1.353 1.00 2.68 N ATOM 0 H ARG A 71 5.193 -4.480 -2.743 1.00 0.30 H new ATOM 0 HA ARG A 71 7.140 -5.444 -0.808 1.00 0.35 H new ATOM 0 HB2 ARG A 71 6.220 -6.504 -3.492 1.00 0.51 H new ATOM 0 HB3 ARG A 71 7.670 -7.101 -2.709 1.00 0.51 H new ATOM 0 HG2 ARG A 71 6.285 -7.768 -0.735 1.00 1.20 H new ATOM 0 HG3 ARG A 71 4.851 -7.249 -1.598 1.00 1.20 H new ATOM 0 HD2 ARG A 71 5.328 -8.875 -3.414 1.00 1.20 H new ATOM 0 HD3 ARG A 71 6.806 -9.365 -2.609 1.00 1.20 H new ATOM 0 HE ARG A 71 5.208 -10.020 -0.650 1.00 1.43 H new ATOM 0 HH11 ARG A 71 4.090 -10.058 -4.026 1.00 1.98 H new ATOM 0 HH12 ARG A 71 3.052 -11.465 -3.771 1.00 1.98 H new ATOM 0 HH21 ARG A 71 3.931 -11.856 -0.376 1.00 2.68 H new ATOM 0 HH22 ARG A 71 2.963 -12.475 -1.718 1.00 2.68 H new ATOM 1082 N LEU A 72 9.075 -4.373 -1.810 1.00 0.37 N ATOM 1083 CA LEU A 72 10.260 -3.880 -2.401 1.00 0.42 C ATOM 1084 C LEU A 72 10.981 -5.091 -2.963 1.00 0.44 C ATOM 1085 O LEU A 72 11.502 -5.931 -2.209 1.00 0.49 O ATOM 1086 CB LEU A 72 11.094 -3.172 -1.338 1.00 0.50 C ATOM 1087 CG LEU A 72 10.392 -1.999 -0.638 1.00 0.70 C ATOM 1088 CD1 LEU A 72 11.213 -1.493 0.511 1.00 1.23 C ATOM 1089 CD2 LEU A 72 10.118 -0.874 -1.614 1.00 0.61 C ATOM 0 H LEU A 72 9.129 -4.536 -0.805 1.00 0.37 H new ATOM 0 HA LEU A 72 10.065 -3.155 -3.191 1.00 0.42 H new ATOM 0 HB2 LEU A 72 11.389 -3.901 -0.584 1.00 0.50 H new ATOM 0 HB3 LEU A 72 12.009 -2.804 -1.801 1.00 0.50 H new ATOM 0 HG LEU A 72 9.441 -2.365 -0.252 1.00 0.70 H new ATOM 0 HD11 LEU A 72 10.695 -0.663 0.991 1.00 1.23 H new ATOM 0 HD12 LEU A 72 11.360 -2.295 1.234 1.00 1.23 H new ATOM 0 HD13 LEU A 72 12.182 -1.153 0.144 1.00 1.23 H new ATOM 0 HD21 LEU A 72 9.620 -0.055 -1.095 1.00 0.61 H new ATOM 0 HD22 LEU A 72 11.059 -0.519 -2.034 1.00 0.61 H new ATOM 0 HD23 LEU A 72 9.477 -1.237 -2.417 1.00 0.61 H new ATOM 1101 N ASN A 73 10.971 -5.186 -4.277 1.00 0.56 N ATOM 1102 CA ASN A 73 11.546 -6.317 -5.007 1.00 0.72 C ATOM 1103 C ASN A 73 13.040 -6.322 -4.831 1.00 0.73 C ATOM 1104 O ASN A 73 13.661 -7.362 -4.627 1.00 0.87 O ATOM 1105 CB ASN A 73 11.184 -6.218 -6.480 1.00 0.90 C ATOM 1106 CG ASN A 73 11.687 -7.376 -7.318 1.00 1.41 C ATOM 1107 OD1 ASN A 73 11.795 -8.515 -6.851 1.00 2.18 O ATOM 1108 ND2 ASN A 73 11.970 -7.100 -8.560 1.00 1.84 N ATOM 0 H ASN A 73 10.560 -4.476 -4.883 1.00 0.56 H new ATOM 0 HA ASN A 73 11.141 -7.249 -4.612 1.00 0.72 H new ATOM 0 HB2 ASN A 73 10.100 -6.159 -6.574 1.00 0.90 H new ATOM 0 HB3 ASN A 73 11.590 -5.289 -6.882 1.00 0.90 H new ATOM 0 HD21 ASN A 73 12.294 -7.838 -9.185 1.00 1.84 H new ATOM 0 HD22 ASN A 73 11.867 -6.146 -8.907 1.00 1.84 H new ATOM 1115 N GLN A 74 13.608 -5.166 -4.919 1.00 0.66 N ATOM 1116 CA GLN A 74 14.970 -4.981 -4.595 1.00 0.72 C ATOM 1117 C GLN A 74 15.045 -3.735 -3.757 1.00 0.66 C ATOM 1118 O GLN A 74 14.928 -2.624 -4.276 1.00 0.69 O ATOM 1119 CB GLN A 74 15.852 -4.859 -5.838 1.00 0.86 C ATOM 1120 CG GLN A 74 17.327 -4.680 -5.502 1.00 1.58 C ATOM 1121 CD GLN A 74 18.210 -4.554 -6.716 1.00 2.11 C ATOM 1122 OE1 GLN A 74 17.789 -4.079 -7.766 1.00 2.82 O ATOM 1123 NE2 GLN A 74 19.438 -4.965 -6.582 1.00 2.58 N ATOM 0 H GLN A 74 13.129 -4.318 -5.222 1.00 0.66 H new ATOM 0 HA GLN A 74 15.347 -5.849 -4.054 1.00 0.72 H new ATOM 0 HB2 GLN A 74 15.730 -5.751 -6.453 1.00 0.86 H new ATOM 0 HB3 GLN A 74 15.515 -4.012 -6.435 1.00 0.86 H new ATOM 0 HG2 GLN A 74 17.445 -3.790 -4.883 1.00 1.58 H new ATOM 0 HG3 GLN A 74 17.661 -5.529 -4.906 1.00 1.58 H new ATOM 0 HE21 GLN A 74 19.751 -5.354 -5.693 1.00 2.58 H new ATOM 0 HE22 GLN A 74 20.087 -4.898 -7.366 1.00 2.58 H new ATOM 1132 N PRO A 75 15.157 -3.894 -2.442 1.00 0.75 N ATOM 1133 CA PRO A 75 15.254 -2.771 -1.541 1.00 0.84 C ATOM 1134 C PRO A 75 16.593 -2.084 -1.698 1.00 0.81 C ATOM 1135 O PRO A 75 17.644 -2.739 -1.730 1.00 0.83 O ATOM 1136 CB PRO A 75 15.119 -3.400 -0.146 1.00 1.06 C ATOM 1137 CG PRO A 75 14.652 -4.792 -0.386 1.00 1.25 C ATOM 1138 CD PRO A 75 15.176 -5.173 -1.724 1.00 0.93 C ATOM 0 HA PRO A 75 14.497 -2.010 -1.728 1.00 0.84 H new ATOM 0 HB2 PRO A 75 16.072 -3.391 0.383 1.00 1.06 H new ATOM 0 HB3 PRO A 75 14.408 -2.847 0.468 1.00 1.06 H new ATOM 0 HG2 PRO A 75 15.023 -5.467 0.385 1.00 1.25 H new ATOM 0 HG3 PRO A 75 13.564 -4.848 -0.362 1.00 1.25 H new ATOM 0 HD2 PRO A 75 16.181 -5.591 -1.663 1.00 0.93 H new ATOM 0 HD3 PRO A 75 14.549 -5.921 -2.209 1.00 0.93 H new ATOM 1146 N THR A 76 16.551 -0.802 -1.826 1.00 0.86 N ATOM 1147 CA THR A 76 17.714 0.014 -2.008 1.00 0.90 C ATOM 1148 C THR A 76 17.655 1.163 -1.006 1.00 0.84 C ATOM 1149 O THR A 76 16.588 1.517 -0.525 1.00 0.79 O ATOM 1150 CB THR A 76 17.748 0.538 -3.468 1.00 1.07 C ATOM 1151 OG1 THR A 76 16.426 0.949 -3.864 1.00 1.17 O ATOM 1152 CG2 THR A 76 18.258 -0.530 -4.432 1.00 1.22 C ATOM 0 H THR A 76 15.680 -0.271 -1.807 1.00 0.86 H new ATOM 0 HA THR A 76 18.625 -0.559 -1.835 1.00 0.90 H new ATOM 0 HB THR A 76 18.431 1.386 -3.507 1.00 1.07 H new ATOM 0 HG1 THR A 76 15.889 1.138 -3.066 1.00 1.17 H new ATOM 0 HG21 THR A 76 18.269 -0.130 -5.446 1.00 1.22 H new ATOM 0 HG22 THR A 76 19.268 -0.825 -4.147 1.00 1.22 H new ATOM 0 HG23 THR A 76 17.602 -1.399 -4.392 1.00 1.22 H new ATOM 1160 N HIS A 77 18.810 1.721 -0.668 1.00 0.92 N ATOM 1161 CA HIS A 77 18.911 2.758 0.368 1.00 0.94 C ATOM 1162 C HIS A 77 18.204 4.076 0.019 1.00 0.81 C ATOM 1163 O HIS A 77 18.132 4.977 0.842 1.00 0.85 O ATOM 1164 CB HIS A 77 20.363 2.975 0.901 1.00 1.20 C ATOM 1165 CG HIS A 77 21.376 3.468 -0.096 1.00 1.36 C ATOM 1166 ND1 HIS A 77 22.251 2.639 -0.762 1.00 1.98 N ATOM 1167 CD2 HIS A 77 21.653 4.715 -0.527 1.00 1.62 C ATOM 1168 CE1 HIS A 77 23.006 3.351 -1.557 1.00 2.03 C ATOM 1169 NE2 HIS A 77 22.664 4.611 -1.437 1.00 1.72 N ATOM 0 H HIS A 77 19.702 1.474 -1.097 1.00 0.92 H new ATOM 0 HA HIS A 77 18.345 2.346 1.203 1.00 0.94 H new ATOM 0 HB2 HIS A 77 20.321 3.687 1.726 1.00 1.20 H new ATOM 0 HB3 HIS A 77 20.720 2.031 1.312 1.00 1.20 H new ATOM 0 HD2 HIS A 77 21.166 5.626 -0.211 1.00 1.62 H new ATOM 0 HE1 HIS A 77 23.781 2.966 -2.204 1.00 2.03 H new ATOM 0 HE2 HIS A 77 23.086 5.389 -1.943 1.00 1.72 H new ATOM 1178 N VAL A 78 17.687 4.174 -1.198 1.00 0.83 N ATOM 1179 CA VAL A 78 16.886 5.328 -1.610 1.00 0.92 C ATOM 1180 C VAL A 78 15.438 5.159 -1.109 1.00 0.90 C ATOM 1181 O VAL A 78 14.632 6.088 -1.170 1.00 1.08 O ATOM 1182 CB VAL A 78 16.856 5.518 -3.161 1.00 1.15 C ATOM 1183 CG1 VAL A 78 18.238 5.791 -3.729 1.00 1.33 C ATOM 1184 CG2 VAL A 78 16.225 4.319 -3.855 1.00 1.14 C ATOM 0 H VAL A 78 17.806 3.467 -1.923 1.00 0.83 H new ATOM 0 HA VAL A 78 17.353 6.210 -1.172 1.00 0.92 H new ATOM 0 HB VAL A 78 16.238 6.394 -3.356 1.00 1.15 H new ATOM 0 HG11 VAL A 78 18.169 5.916 -4.810 1.00 1.33 H new ATOM 0 HG12 VAL A 78 18.641 6.700 -3.283 1.00 1.33 H new ATOM 0 HG13 VAL A 78 18.897 4.953 -3.502 1.00 1.33 H new ATOM 0 HG21 VAL A 78 16.220 4.483 -4.933 1.00 1.14 H new ATOM 0 HG22 VAL A 78 16.801 3.422 -3.628 1.00 1.14 H new ATOM 0 HG23 VAL A 78 15.201 4.192 -3.502 1.00 1.14 H new ATOM 1194 N ASN A 79 15.131 3.954 -0.614 1.00 0.78 N ATOM 1195 CA ASN A 79 13.782 3.578 -0.166 1.00 0.90 C ATOM 1196 C ASN A 79 13.559 3.909 1.307 1.00 0.78 C ATOM 1197 O ASN A 79 12.647 3.385 1.934 1.00 0.96 O ATOM 1198 CB ASN A 79 13.531 2.066 -0.379 1.00 1.13 C ATOM 1199 CG ASN A 79 13.632 1.596 -1.828 1.00 1.40 C ATOM 1200 OD1 ASN A 79 14.029 0.451 -2.092 1.00 2.19 O ATOM 1201 ND2 ASN A 79 13.265 2.435 -2.768 1.00 1.22 N ATOM 0 H ASN A 79 15.816 3.206 -0.512 1.00 0.78 H new ATOM 0 HA ASN A 79 13.082 4.158 -0.767 1.00 0.90 H new ATOM 0 HB2 ASN A 79 14.248 1.505 0.220 1.00 1.13 H new ATOM 0 HB3 ASN A 79 12.539 1.820 -0.001 1.00 1.13 H new ATOM 0 HD21 ASN A 79 13.302 2.152 -3.747 1.00 1.22 H new ATOM 0 HD22 ASN A 79 12.943 3.370 -2.519 1.00 1.22 H new ATOM 1208 N ASN A 80 14.392 4.752 1.855 1.00 0.64 N ATOM 1209 CA ASN A 80 14.238 5.164 3.246 1.00 0.59 C ATOM 1210 C ASN A 80 13.412 6.405 3.293 1.00 0.56 C ATOM 1211 O ASN A 80 13.760 7.398 2.646 1.00 0.88 O ATOM 1212 CB ASN A 80 15.590 5.430 3.931 1.00 0.72 C ATOM 1213 CG ASN A 80 16.392 4.179 4.171 1.00 1.05 C ATOM 1214 OD1 ASN A 80 16.208 3.497 5.163 1.00 1.96 O ATOM 1215 ND2 ASN A 80 17.333 3.906 3.316 1.00 1.43 N ATOM 0 H ASN A 80 15.185 5.172 1.371 1.00 0.64 H new ATOM 0 HA ASN A 80 13.753 4.349 3.784 1.00 0.59 H new ATOM 0 HB2 ASN A 80 16.173 6.115 3.315 1.00 0.72 H new ATOM 0 HB3 ASN A 80 15.415 5.929 4.884 1.00 0.72 H new ATOM 0 HD21 ASN A 80 17.942 3.102 3.467 1.00 1.43 H new ATOM 0 HD22 ASN A 80 17.462 4.496 2.494 1.00 1.43 H new ATOM 1222 N GLY A 81 12.313 6.367 3.993 1.00 0.46 N ATOM 1223 CA GLY A 81 11.496 7.533 4.077 1.00 0.49 C ATOM 1224 C GLY A 81 10.091 7.224 4.498 1.00 0.43 C ATOM 1225 O GLY A 81 9.772 6.084 4.875 1.00 0.40 O ATOM 0 H GLY A 81 11.971 5.553 4.504 1.00 0.46 H new ATOM 0 HA2 GLY A 81 11.939 8.232 4.787 1.00 0.49 H new ATOM 0 HA3 GLY A 81 11.480 8.031 3.108 1.00 0.49 H new ATOM 1229 N ASN A 82 9.250 8.227 4.402 1.00 0.45 N ATOM 1230 CA ASN A 82 7.874 8.148 4.850 1.00 0.44 C ATOM 1231 C ASN A 82 6.986 7.594 3.757 1.00 0.37 C ATOM 1232 O ASN A 82 6.613 8.319 2.826 1.00 0.46 O ATOM 1233 CB ASN A 82 7.345 9.547 5.231 1.00 0.56 C ATOM 1234 CG ASN A 82 8.166 10.254 6.288 1.00 1.27 C ATOM 1235 OD1 ASN A 82 9.123 10.975 5.969 1.00 2.23 O ATOM 1236 ND2 ASN A 82 7.806 10.089 7.535 1.00 1.65 N ATOM 0 H ASN A 82 9.502 9.133 4.006 1.00 0.45 H new ATOM 0 HA ASN A 82 7.852 7.490 5.718 1.00 0.44 H new ATOM 0 HB2 ASN A 82 7.314 10.168 4.336 1.00 0.56 H new ATOM 0 HB3 ASN A 82 6.320 9.451 5.588 1.00 0.56 H new ATOM 0 HD21 ASN A 82 8.318 10.561 8.280 1.00 1.65 H new ATOM 0 HD22 ASN A 82 7.013 9.488 7.762 1.00 1.65 H new ATOM 1243 N TYR A 83 6.647 6.337 3.857 1.00 0.29 N ATOM 1244 CA TYR A 83 5.734 5.715 2.931 1.00 0.27 C ATOM 1245 C TYR A 83 4.307 5.999 3.384 1.00 0.28 C ATOM 1246 O TYR A 83 3.909 5.600 4.435 1.00 0.47 O ATOM 1247 CB TYR A 83 5.998 4.197 2.835 1.00 0.34 C ATOM 1248 CG TYR A 83 7.175 3.823 1.963 1.00 0.38 C ATOM 1249 CD1 TYR A 83 7.031 3.755 0.585 1.00 0.60 C ATOM 1250 CD2 TYR A 83 8.421 3.526 2.504 1.00 0.49 C ATOM 1251 CE1 TYR A 83 8.088 3.408 -0.229 1.00 0.69 C ATOM 1252 CE2 TYR A 83 9.481 3.179 1.688 1.00 0.55 C ATOM 1253 CZ TYR A 83 9.303 3.123 0.324 1.00 0.60 C ATOM 1254 OH TYR A 83 10.352 2.781 -0.489 1.00 0.69 O ATOM 0 H TYR A 83 6.996 5.712 4.584 1.00 0.29 H new ATOM 0 HA TYR A 83 5.884 6.130 1.934 1.00 0.27 H new ATOM 0 HB2 TYR A 83 6.165 3.805 3.838 1.00 0.34 H new ATOM 0 HB3 TYR A 83 5.104 3.709 2.447 1.00 0.34 H new ATOM 0 HD1 TYR A 83 6.072 3.978 0.141 1.00 0.60 H new ATOM 0 HD2 TYR A 83 8.562 3.567 3.574 1.00 0.49 H new ATOM 0 HE1 TYR A 83 7.955 3.362 -1.300 1.00 0.69 H new ATOM 0 HE2 TYR A 83 10.445 2.953 2.119 1.00 0.55 H new ATOM 0 HH TYR A 83 11.081 3.425 -0.371 1.00 0.69 H new ATOM 1264 N THR A 84 3.579 6.732 2.629 1.00 0.22 N ATOM 1265 CA THR A 84 2.237 7.091 3.004 1.00 0.23 C ATOM 1266 C THR A 84 1.231 6.529 2.007 1.00 0.22 C ATOM 1267 O THR A 84 1.422 6.643 0.804 1.00 0.26 O ATOM 1268 CB THR A 84 2.128 8.622 3.072 1.00 0.27 C ATOM 1269 OG1 THR A 84 3.166 9.109 3.947 1.00 0.34 O ATOM 1270 CG2 THR A 84 0.765 9.075 3.581 1.00 0.33 C ATOM 0 H THR A 84 3.883 7.107 1.731 1.00 0.22 H new ATOM 0 HA THR A 84 2.011 6.666 3.982 1.00 0.23 H new ATOM 0 HB THR A 84 2.244 9.027 2.067 1.00 0.27 H new ATOM 0 HG1 THR A 84 2.858 9.065 4.876 1.00 0.34 H new ATOM 0 HG21 THR A 84 0.732 10.164 3.613 1.00 0.33 H new ATOM 0 HG22 THR A 84 -0.014 8.708 2.912 1.00 0.33 H new ATOM 0 HG23 THR A 84 0.600 8.677 4.582 1.00 0.33 H new ATOM 1278 N LEU A 85 0.192 5.912 2.507 1.00 0.20 N ATOM 1279 CA LEU A 85 -0.831 5.375 1.659 1.00 0.19 C ATOM 1280 C LEU A 85 -2.059 6.251 1.749 1.00 0.18 C ATOM 1281 O LEU A 85 -2.567 6.522 2.848 1.00 0.19 O ATOM 1282 CB LEU A 85 -1.162 3.924 2.033 1.00 0.20 C ATOM 1283 CG LEU A 85 -2.174 3.201 1.141 1.00 0.20 C ATOM 1284 CD1 LEU A 85 -1.692 3.192 -0.276 1.00 0.21 C ATOM 1285 CD2 LEU A 85 -2.374 1.783 1.615 1.00 0.22 C ATOM 0 H LEU A 85 0.035 5.770 3.505 1.00 0.20 H new ATOM 0 HA LEU A 85 -0.470 5.365 0.631 1.00 0.19 H new ATOM 0 HB2 LEU A 85 -0.235 3.351 2.030 1.00 0.20 H new ATOM 0 HB3 LEU A 85 -1.540 3.913 3.055 1.00 0.20 H new ATOM 0 HG LEU A 85 -3.125 3.731 1.197 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -2.418 2.676 -0.904 1.00 0.21 H new ATOM 0 HD12 LEU A 85 -1.573 4.217 -0.626 1.00 0.21 H new ATOM 0 HD13 LEU A 85 -0.733 2.677 -0.331 1.00 0.21 H new ATOM 0 HD21 LEU A 85 -3.096 1.282 0.970 1.00 0.22 H new ATOM 0 HD22 LEU A 85 -1.424 1.250 1.578 1.00 0.22 H new ATOM 0 HD23 LEU A 85 -2.746 1.791 2.639 1.00 0.22 H new ATOM 1297 N LEU A 86 -2.480 6.735 0.616 1.00 0.20 N ATOM 1298 CA LEU A 86 -3.649 7.566 0.491 1.00 0.22 C ATOM 1299 C LEU A 86 -4.741 6.751 -0.155 1.00 0.22 C ATOM 1300 O LEU A 86 -4.481 6.018 -1.113 1.00 0.27 O ATOM 1301 CB LEU A 86 -3.384 8.810 -0.411 1.00 0.28 C ATOM 1302 CG LEU A 86 -2.363 9.876 0.049 1.00 0.32 C ATOM 1303 CD1 LEU A 86 -2.700 10.423 1.416 1.00 0.36 C ATOM 1304 CD2 LEU A 86 -0.934 9.368 -0.006 1.00 0.32 C ATOM 0 H LEU A 86 -2.009 6.559 -0.272 1.00 0.20 H new ATOM 0 HA LEU A 86 -3.928 7.912 1.486 1.00 0.22 H new ATOM 0 HB2 LEU A 86 -3.059 8.445 -1.385 1.00 0.28 H new ATOM 0 HB3 LEU A 86 -4.338 9.314 -0.562 1.00 0.28 H new ATOM 0 HG LEU A 86 -2.435 10.699 -0.661 1.00 0.32 H new ATOM 0 HD11 LEU A 86 -1.959 11.169 1.702 1.00 0.36 H new ATOM 0 HD12 LEU A 86 -3.687 10.884 1.390 1.00 0.36 H new ATOM 0 HD13 LEU A 86 -2.698 9.611 2.143 1.00 0.36 H new ATOM 0 HD21 LEU A 86 -0.256 10.154 0.327 1.00 0.32 H new ATOM 0 HD22 LEU A 86 -0.831 8.500 0.645 1.00 0.32 H new ATOM 0 HD23 LEU A 86 -0.688 9.085 -1.029 1.00 0.32 H new ATOM 1316 N ALA A 87 -5.926 6.849 0.360 1.00 0.21 N ATOM 1317 CA ALA A 87 -7.057 6.187 -0.235 1.00 0.23 C ATOM 1318 C ALA A 87 -8.140 7.202 -0.461 1.00 0.29 C ATOM 1319 O ALA A 87 -8.589 7.846 0.484 1.00 0.31 O ATOM 1320 CB ALA A 87 -7.559 5.074 0.676 1.00 0.24 C ATOM 0 H ALA A 87 -6.142 7.386 1.200 1.00 0.21 H new ATOM 0 HA ALA A 87 -6.765 5.740 -1.185 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -8.415 4.583 0.213 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -6.763 4.346 0.833 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -7.859 5.496 1.635 1.00 0.24 H new ATOM 1326 N ALA A 88 -8.539 7.362 -1.695 1.00 0.36 N ATOM 1327 CA ALA A 88 -9.582 8.300 -2.045 1.00 0.45 C ATOM 1328 C ALA A 88 -10.883 7.557 -2.281 1.00 0.37 C ATOM 1329 O ALA A 88 -10.966 6.702 -3.166 1.00 0.37 O ATOM 1330 CB ALA A 88 -9.184 9.108 -3.272 1.00 0.61 C ATOM 0 H ALA A 88 -8.153 6.849 -2.487 1.00 0.36 H new ATOM 0 HA ALA A 88 -9.726 8.997 -1.220 1.00 0.45 H new ATOM 0 HB1 ALA A 88 -9.981 9.809 -3.521 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -8.268 9.660 -3.063 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -9.018 8.435 -4.113 1.00 0.61 H new ATOM 1336 N ASN A 89 -11.859 7.849 -1.468 1.00 0.49 N ATOM 1337 CA ASN A 89 -13.171 7.215 -1.510 1.00 0.58 C ATOM 1338 C ASN A 89 -14.233 8.309 -1.478 1.00 0.57 C ATOM 1339 O ASN A 89 -13.922 9.380 -0.980 1.00 0.55 O ATOM 1340 CB ASN A 89 -13.314 6.290 -0.264 1.00 0.86 C ATOM 1341 CG ASN A 89 -14.696 5.681 -0.056 1.00 0.59 C ATOM 1342 OD1 ASN A 89 -15.550 6.273 0.593 1.00 0.71 O ATOM 1343 ND2 ASN A 89 -14.928 4.508 -0.574 1.00 1.18 N ATOM 0 H ASN A 89 -11.774 8.552 -0.734 1.00 0.49 H new ATOM 0 HA ASN A 89 -13.290 6.620 -2.415 1.00 0.58 H new ATOM 0 HB2 ASN A 89 -12.588 5.481 -0.348 1.00 0.86 H new ATOM 0 HB3 ASN A 89 -13.051 6.863 0.625 1.00 0.86 H new ATOM 0 HD21 ASN A 89 -15.837 4.063 -0.443 1.00 1.18 H new ATOM 0 HD22 ASN A 89 -14.201 4.035 -1.111 1.00 1.18 H new ATOM 1350 N PRO A 90 -15.447 8.132 -2.050 1.00 0.64 N ATOM 1351 CA PRO A 90 -16.524 9.150 -1.981 1.00 0.68 C ATOM 1352 C PRO A 90 -16.677 9.792 -0.573 1.00 0.56 C ATOM 1353 O PRO A 90 -16.887 11.008 -0.444 1.00 0.63 O ATOM 1354 CB PRO A 90 -17.792 8.356 -2.351 1.00 0.81 C ATOM 1355 CG PRO A 90 -17.341 6.945 -2.608 1.00 1.00 C ATOM 1356 CD PRO A 90 -15.865 7.005 -2.876 1.00 0.74 C ATOM 0 HA PRO A 90 -16.316 9.992 -2.642 1.00 0.68 H new ATOM 0 HB2 PRO A 90 -18.523 8.390 -1.543 1.00 0.81 H new ATOM 0 HB3 PRO A 90 -18.272 8.778 -3.234 1.00 0.81 H new ATOM 0 HG2 PRO A 90 -17.553 6.309 -1.749 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -17.872 6.518 -3.459 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -15.361 6.082 -2.590 1.00 0.74 H new ATOM 0 HD3 PRO A 90 -15.649 7.172 -3.931 1.00 0.74 H new ATOM 1364 N CYS A 91 -16.521 8.973 0.457 1.00 0.50 N ATOM 1365 CA CYS A 91 -16.616 9.403 1.851 1.00 0.50 C ATOM 1366 C CYS A 91 -15.508 10.407 2.226 1.00 0.46 C ATOM 1367 O CYS A 91 -15.773 11.400 2.914 1.00 0.61 O ATOM 1368 CB CYS A 91 -16.573 8.176 2.771 1.00 0.61 C ATOM 1369 SG CYS A 91 -16.407 8.526 4.551 1.00 1.10 S ATOM 0 H CYS A 91 -16.322 7.978 0.350 1.00 0.50 H new ATOM 0 HA CYS A 91 -17.566 9.921 1.980 1.00 0.50 H new ATOM 0 HB2 CYS A 91 -17.484 7.598 2.617 1.00 0.61 H new ATOM 0 HB3 CYS A 91 -15.739 7.545 2.465 1.00 0.61 H new ATOM 1374 N GLY A 92 -14.305 10.187 1.739 1.00 0.46 N ATOM 1375 CA GLY A 92 -13.205 11.055 2.070 1.00 0.58 C ATOM 1376 C GLY A 92 -11.892 10.443 1.670 1.00 0.49 C ATOM 1377 O GLY A 92 -11.853 9.555 0.807 1.00 0.59 O ATOM 0 H GLY A 92 -14.069 9.416 1.115 1.00 0.46 H new ATOM 0 HA2 GLY A 92 -13.331 12.014 1.567 1.00 0.58 H new ATOM 0 HA3 GLY A 92 -13.205 11.254 3.142 1.00 0.58 H new ATOM 1381 N GLN A 93 -10.829 10.881 2.277 1.00 0.46 N ATOM 1382 CA GLN A 93 -9.532 10.365 1.956 1.00 0.42 C ATOM 1383 C GLN A 93 -8.825 9.942 3.220 1.00 0.41 C ATOM 1384 O GLN A 93 -8.770 10.695 4.201 1.00 0.56 O ATOM 1385 CB GLN A 93 -8.705 11.402 1.189 1.00 0.53 C ATOM 1386 CG GLN A 93 -7.340 10.911 0.725 1.00 0.58 C ATOM 1387 CD GLN A 93 -6.576 11.965 -0.044 1.00 0.92 C ATOM 1388 OE1 GLN A 93 -6.727 13.160 0.195 1.00 1.57 O ATOM 1389 NE2 GLN A 93 -5.772 11.545 -0.982 1.00 1.33 N ATOM 0 H GLN A 93 -10.835 11.599 3.002 1.00 0.46 H new ATOM 0 HA GLN A 93 -9.650 9.495 1.310 1.00 0.42 H new ATOM 0 HB2 GLN A 93 -9.274 11.728 0.318 1.00 0.53 H new ATOM 0 HB3 GLN A 93 -8.565 12.277 1.824 1.00 0.53 H new ATOM 0 HG2 GLN A 93 -6.755 10.602 1.591 1.00 0.58 H new ATOM 0 HG3 GLN A 93 -7.469 10.030 0.097 1.00 0.58 H new ATOM 0 HE21 GLN A 93 -5.669 10.545 -1.155 1.00 1.33 H new ATOM 0 HE22 GLN A 93 -5.247 12.217 -1.542 1.00 1.33 H new ATOM 1398 N ALA A 94 -8.313 8.754 3.211 1.00 0.30 N ATOM 1399 CA ALA A 94 -7.582 8.235 4.326 1.00 0.33 C ATOM 1400 C ALA A 94 -6.108 8.309 4.016 1.00 0.31 C ATOM 1401 O ALA A 94 -5.709 8.246 2.845 1.00 0.30 O ATOM 1402 CB ALA A 94 -7.987 6.811 4.602 1.00 0.37 C ATOM 0 H ALA A 94 -8.390 8.110 2.424 1.00 0.30 H new ATOM 0 HA ALA A 94 -7.801 8.827 5.215 1.00 0.33 H new ATOM 0 HB1 ALA A 94 -7.422 6.430 5.453 1.00 0.37 H new ATOM 0 HB2 ALA A 94 -9.053 6.773 4.828 1.00 0.37 H new ATOM 0 HB3 ALA A 94 -7.780 6.197 3.725 1.00 0.37 H new ATOM 1408 N SER A 95 -5.317 8.457 5.039 1.00 0.36 N ATOM 1409 CA SER A 95 -3.900 8.594 4.909 1.00 0.37 C ATOM 1410 C SER A 95 -3.201 7.996 6.122 1.00 0.38 C ATOM 1411 O SER A 95 -3.498 8.379 7.254 1.00 0.57 O ATOM 1412 CB SER A 95 -3.562 10.086 4.776 1.00 0.43 C ATOM 1413 OG SER A 95 -4.174 10.851 5.824 1.00 0.50 O ATOM 0 H SER A 95 -5.647 8.486 6.004 1.00 0.36 H new ATOM 0 HA SER A 95 -3.555 8.060 4.023 1.00 0.37 H new ATOM 0 HB2 SER A 95 -2.481 10.221 4.807 1.00 0.43 H new ATOM 0 HB3 SER A 95 -3.901 10.454 3.808 1.00 0.43 H new ATOM 0 HG SER A 95 -4.175 10.328 6.653 1.00 0.50 H new ATOM 1419 N ALA A 96 -2.313 7.064 5.891 1.00 0.27 N ATOM 1420 CA ALA A 96 -1.530 6.458 6.951 1.00 0.27 C ATOM 1421 C ALA A 96 -0.088 6.424 6.505 1.00 0.23 C ATOM 1422 O ALA A 96 0.173 6.310 5.303 1.00 0.26 O ATOM 1423 CB ALA A 96 -2.036 5.051 7.260 1.00 0.30 C ATOM 0 H ALA A 96 -2.107 6.699 4.961 1.00 0.27 H new ATOM 0 HA ALA A 96 -1.623 7.043 7.866 1.00 0.27 H new ATOM 0 HB1 ALA A 96 -1.435 4.615 8.058 1.00 0.30 H new ATOM 0 HB2 ALA A 96 -3.078 5.100 7.577 1.00 0.30 H new ATOM 0 HB3 ALA A 96 -1.957 4.432 6.367 1.00 0.30 H new ATOM 1429 N SER A 97 0.841 6.531 7.424 1.00 0.26 N ATOM 1430 CA SER A 97 2.237 6.542 7.062 1.00 0.28 C ATOM 1431 C SER A 97 3.033 5.406 7.723 1.00 0.25 C ATOM 1432 O SER A 97 2.907 5.137 8.926 1.00 0.38 O ATOM 1433 CB SER A 97 2.864 7.910 7.369 1.00 0.41 C ATOM 1434 OG SER A 97 2.207 8.949 6.641 1.00 1.26 O ATOM 0 H SER A 97 0.657 6.611 8.424 1.00 0.26 H new ATOM 0 HA SER A 97 2.288 6.367 5.987 1.00 0.28 H new ATOM 0 HB2 SER A 97 2.798 8.113 8.438 1.00 0.41 H new ATOM 0 HB3 SER A 97 3.923 7.895 7.112 1.00 0.41 H new ATOM 0 HG SER A 97 2.622 9.811 6.854 1.00 1.26 H new ATOM 1440 N ILE A 98 3.809 4.752 6.906 1.00 0.25 N ATOM 1441 CA ILE A 98 4.722 3.707 7.278 1.00 0.28 C ATOM 1442 C ILE A 98 6.149 4.228 7.128 1.00 0.28 C ATOM 1443 O ILE A 98 6.524 4.763 6.086 1.00 0.30 O ATOM 1444 CB ILE A 98 4.465 2.350 6.457 1.00 0.36 C ATOM 1445 CG1 ILE A 98 5.719 1.470 6.302 1.00 0.72 C ATOM 1446 CG2 ILE A 98 3.879 2.603 5.094 1.00 0.39 C ATOM 1447 CD1 ILE A 98 6.336 1.012 7.566 1.00 0.37 C ATOM 0 H ILE A 98 3.822 4.945 5.904 1.00 0.25 H new ATOM 0 HA ILE A 98 4.555 3.438 8.321 1.00 0.28 H new ATOM 0 HB ILE A 98 3.744 1.806 7.067 1.00 0.36 H new ATOM 0 HG12 ILE A 98 5.456 0.595 5.708 1.00 0.72 H new ATOM 0 HG13 ILE A 98 6.465 2.027 5.735 1.00 0.72 H new ATOM 0 HG21 ILE A 98 3.725 1.653 4.582 1.00 0.39 H new ATOM 0 HG22 ILE A 98 2.924 3.118 5.198 1.00 0.39 H new ATOM 0 HG23 ILE A 98 4.563 3.222 4.513 1.00 0.39 H new ATOM 0 HD11 ILE A 98 7.210 0.400 7.343 1.00 0.37 H new ATOM 0 HD12 ILE A 98 6.639 1.876 8.157 1.00 0.37 H new ATOM 0 HD13 ILE A 98 5.614 0.421 8.130 1.00 0.37 H new ATOM 1459 N MET A 99 6.913 4.111 8.171 1.00 0.34 N ATOM 1460 CA MET A 99 8.278 4.562 8.146 1.00 0.41 C ATOM 1461 C MET A 99 9.173 3.351 8.055 1.00 0.40 C ATOM 1462 O MET A 99 9.242 2.546 8.998 1.00 0.51 O ATOM 1463 CB MET A 99 8.612 5.373 9.399 1.00 0.59 C ATOM 1464 CG MET A 99 9.959 6.067 9.320 1.00 0.85 C ATOM 1465 SD MET A 99 9.989 7.319 8.021 1.00 1.25 S ATOM 1466 CE MET A 99 11.687 7.872 8.112 1.00 1.18 C ATOM 0 H MET A 99 6.615 3.705 9.058 1.00 0.34 H new ATOM 0 HA MET A 99 8.431 5.212 7.285 1.00 0.41 H new ATOM 0 HB2 MET A 99 7.834 6.120 9.558 1.00 0.59 H new ATOM 0 HB3 MET A 99 8.601 4.712 10.266 1.00 0.59 H new ATOM 0 HG2 MET A 99 10.186 6.532 10.279 1.00 0.85 H new ATOM 0 HG3 MET A 99 10.738 5.329 9.132 1.00 0.85 H new ATOM 0 HE1 MET A 99 11.857 8.648 7.366 1.00 1.18 H new ATOM 0 HE2 MET A 99 11.886 8.273 9.106 1.00 1.18 H new ATOM 0 HE3 MET A 99 12.354 7.032 7.920 1.00 1.18 H new ATOM 1476 N ALA A 100 9.814 3.193 6.934 1.00 0.42 N ATOM 1477 CA ALA A 100 10.661 2.052 6.708 1.00 0.48 C ATOM 1478 C ALA A 100 12.115 2.473 6.741 1.00 0.48 C ATOM 1479 O ALA A 100 12.456 3.622 6.398 1.00 0.57 O ATOM 1480 CB ALA A 100 10.316 1.381 5.383 1.00 0.58 C ATOM 0 H ALA A 100 9.767 3.846 6.152 1.00 0.42 H new ATOM 0 HA ALA A 100 10.494 1.325 7.503 1.00 0.48 H new ATOM 0 HB1 ALA A 100 10.967 0.521 5.230 1.00 0.58 H new ATOM 0 HB2 ALA A 100 9.277 1.051 5.402 1.00 0.58 H new ATOM 0 HB3 ALA A 100 10.456 2.091 4.568 1.00 0.58 H new ATOM 1486 N ALA A 101 12.958 1.570 7.159 1.00 0.56 N ATOM 1487 CA ALA A 101 14.359 1.821 7.266 1.00 0.65 C ATOM 1488 C ALA A 101 15.152 0.623 6.776 1.00 0.66 C ATOM 1489 O ALA A 101 14.922 -0.522 7.207 1.00 0.77 O ATOM 1490 CB ALA A 101 14.724 2.154 8.698 1.00 0.84 C ATOM 0 H ALA A 101 12.683 0.628 7.437 1.00 0.56 H new ATOM 0 HA ALA A 101 14.609 2.676 6.638 1.00 0.65 H new ATOM 0 HB1 ALA A 101 15.795 2.343 8.766 1.00 0.84 H new ATOM 0 HB2 ALA A 101 14.178 3.042 9.016 1.00 0.84 H new ATOM 0 HB3 ALA A 101 14.462 1.316 9.344 1.00 0.84 H new ATOM 1496 N PHE A 102 16.050 0.890 5.876 1.00 0.75 N ATOM 1497 CA PHE A 102 16.936 -0.070 5.290 1.00 0.87 C ATOM 1498 C PHE A 102 18.095 0.685 4.668 1.00 1.20 C ATOM 1499 O PHE A 102 18.020 1.152 3.524 1.00 2.05 O ATOM 1500 CB PHE A 102 16.214 -0.921 4.235 1.00 0.97 C ATOM 1501 CG PHE A 102 17.112 -1.907 3.545 1.00 1.69 C ATOM 1502 CD1 PHE A 102 17.731 -2.911 4.260 1.00 2.20 C ATOM 1503 CD2 PHE A 102 17.329 -1.826 2.184 1.00 2.45 C ATOM 1504 CE1 PHE A 102 18.557 -3.822 3.631 1.00 3.25 C ATOM 1505 CE2 PHE A 102 18.149 -2.727 1.546 1.00 3.51 C ATOM 1506 CZ PHE A 102 18.766 -3.730 2.267 1.00 3.86 C ATOM 0 H PHE A 102 16.191 1.832 5.512 1.00 0.75 H new ATOM 0 HA PHE A 102 17.298 -0.755 6.057 1.00 0.87 H new ATOM 0 HB2 PHE A 102 15.395 -1.459 4.712 1.00 0.97 H new ATOM 0 HB3 PHE A 102 15.770 -0.262 3.489 1.00 0.97 H new ATOM 0 HD1 PHE A 102 17.568 -2.986 5.325 1.00 2.20 H new ATOM 0 HD2 PHE A 102 16.849 -1.045 1.613 1.00 2.45 H new ATOM 0 HE1 PHE A 102 19.038 -4.603 4.202 1.00 3.25 H new ATOM 0 HE2 PHE A 102 18.310 -2.650 0.481 1.00 3.51 H new ATOM 0 HZ PHE A 102 19.409 -4.440 1.768 1.00 3.86 H new