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 82 ASN : amide:sc= 0.0246 K(o=0.077,f=-3.6!) USER MOD Set 1.2: A 84 THR OG1 : rot -9:sc= 0.338 USER MOD Set 1.3: A 97 SER OG : rot 180:sc= -0.285 USER MOD Set 2.1: A 13 GLN : amide:sc= 0.121 K(o=1.3,f=0.36!) USER MOD Set 2.2: A 15 HIS : no HD1:sc= 1.13 K(o=1.3,f=-7.7!) USER MOD Set 2.3: A 28 SER OG : rot 133:sc= 0.0208 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 16 THR OG1 : rot 180:sc= 0.00191 USER MOD Single : A 20 MET CE :methyl -156:sc= 0 (180deg=-0.843) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= -0.36 X(o=-0.36,f=-0.012) USER MOD Single : A 32 GLN : amide:sc= -0.363 K(o=-0.36,f=-1.6) USER MOD Single : A 36 SER OG : rot 180:sc= -0.666 USER MOD Single : A 42 ASN : amide:sc= 1.01 K(o=1,f=-4.9!) USER MOD Single : A 44 SER OG : rot -1:sc= 1.26 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.305 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 72:sc= 1.39 USER MOD Single : A 62 ASN : amide:sc= -0.458 X(o=-0.46,f=0) USER MOD Single : A 64 THR OG1 : rot 160:sc= 0.0574 USER MOD Single : A 67 HIS : no HD1:sc= 1.04 K(o=1,f=-3.8!) USER MOD Single : A 73 ASN : amide:sc= -0.0589 K(o=-0.059,f=-3.7!) USER MOD Single : A 74 GLN : amide:sc= -0.0531 X(o=-0.053,f=-0.053) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.348 USER MOD Single : A 77 HIS : no HD1:sc= 0.00201 X(o=0.002,f=-0.26) USER MOD Single : A 79 ASN : amide:sc= -1.64 K(o=-1.6,f=-6!) USER MOD Single : A 80 ASN : amide:sc= 0.0569 X(o=0.057,f=-0.082) USER MOD Single : A 83 TYR OH : rot -151:sc= 0.0198 USER MOD Single : A 89 ASN : amide:sc= 0.303 K(o=0.3,f=-9.8!) USER MOD Single : A 93 GLN : amide:sc= -0.01 X(o=-0.01,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N SER A 7 -21.978 1.463 2.107 1.00 1.06 N ATOM 80 CA SER A 7 -20.848 2.077 1.520 1.00 0.91 C ATOM 81 C SER A 7 -19.834 2.211 2.623 1.00 0.81 C ATOM 82 O SER A 7 -19.913 3.120 3.459 1.00 0.91 O ATOM 83 CB SER A 7 -21.206 3.450 0.927 1.00 1.01 C ATOM 84 OG SER A 7 -20.091 4.047 0.270 1.00 1.58 O ATOM 0 HA SER A 7 -20.460 1.483 0.693 1.00 0.91 H new ATOM 0 HB2 SER A 7 -22.028 3.338 0.220 1.00 1.01 H new ATOM 0 HB3 SER A 7 -21.556 4.109 1.721 1.00 1.01 H new ATOM 0 HG SER A 7 -20.354 4.917 -0.096 1.00 1.58 H new ATOM 90 N PHE A 8 -18.918 1.277 2.656 1.00 0.75 N ATOM 91 CA PHE A 8 -17.897 1.279 3.658 1.00 0.70 C ATOM 92 C PHE A 8 -16.912 2.382 3.389 1.00 0.53 C ATOM 93 O PHE A 8 -16.452 2.566 2.241 1.00 0.54 O ATOM 94 CB PHE A 8 -17.211 -0.088 3.776 1.00 0.85 C ATOM 95 CG PHE A 8 -18.117 -1.169 4.306 1.00 0.77 C ATOM 96 CD1 PHE A 8 -18.748 -2.057 3.451 1.00 0.88 C ATOM 97 CD2 PHE A 8 -18.341 -1.290 5.668 1.00 1.01 C ATOM 98 CE1 PHE A 8 -19.579 -3.045 3.943 1.00 0.85 C ATOM 99 CE2 PHE A 8 -19.171 -2.274 6.165 1.00 1.19 C ATOM 100 CZ PHE A 8 -19.791 -3.153 5.301 1.00 0.96 C ATOM 0 H PHE A 8 -18.863 0.503 1.994 1.00 0.75 H new ATOM 0 HA PHE A 8 -18.365 1.470 4.624 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -16.838 -0.385 2.796 1.00 0.85 H new ATOM 0 HB3 PHE A 8 -16.345 0.004 4.432 1.00 0.85 H new ATOM 0 HD1 PHE A 8 -18.588 -1.976 2.386 1.00 0.88 H new ATOM 0 HD2 PHE A 8 -17.859 -0.605 6.350 1.00 1.01 H new ATOM 0 HE1 PHE A 8 -20.062 -3.732 3.264 1.00 0.85 H new ATOM 0 HE2 PHE A 8 -19.335 -2.356 7.229 1.00 1.19 H new ATOM 0 HZ PHE A 8 -20.441 -3.924 5.688 1.00 0.96 H new ATOM 110 N CYS A 9 -16.625 3.125 4.415 1.00 0.49 N ATOM 111 CA CYS A 9 -15.754 4.257 4.327 1.00 0.44 C ATOM 112 C CYS A 9 -14.329 3.751 4.456 1.00 0.37 C ATOM 113 O CYS A 9 -14.107 2.677 5.013 1.00 0.40 O ATOM 114 CB CYS A 9 -16.095 5.235 5.450 1.00 0.62 C ATOM 115 SG CYS A 9 -15.517 6.937 5.159 1.00 1.32 S ATOM 0 H CYS A 9 -16.995 2.959 5.351 1.00 0.49 H new ATOM 0 HA CYS A 9 -15.869 4.779 3.377 1.00 0.44 H new ATOM 0 HB2 CYS A 9 -17.176 5.249 5.588 1.00 0.62 H new ATOM 0 HB3 CYS A 9 -15.659 4.869 6.380 1.00 0.62 H new ATOM 120 N ALA A 10 -13.376 4.499 3.961 1.00 0.35 N ATOM 121 CA ALA A 10 -12.020 4.023 3.909 1.00 0.35 C ATOM 122 C ALA A 10 -11.204 4.477 5.082 1.00 0.29 C ATOM 123 O ALA A 10 -11.164 5.655 5.405 1.00 0.34 O ATOM 124 CB ALA A 10 -11.339 4.453 2.616 1.00 0.45 C ATOM 0 H ALA A 10 -13.515 5.439 3.589 1.00 0.35 H new ATOM 0 HA ALA A 10 -12.077 2.935 3.945 1.00 0.35 H new ATOM 0 HB1 ALA A 10 -10.315 4.080 2.603 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -11.885 4.046 1.765 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -11.329 5.541 2.554 1.00 0.45 H new ATOM 130 N SER A 11 -10.594 3.532 5.722 1.00 0.27 N ATOM 131 CA SER A 11 -9.625 3.780 6.738 1.00 0.27 C ATOM 132 C SER A 11 -8.367 3.051 6.301 1.00 0.23 C ATOM 133 O SER A 11 -8.453 1.945 5.739 1.00 0.25 O ATOM 134 CB SER A 11 -10.124 3.270 8.092 1.00 0.37 C ATOM 135 OG SER A 11 -11.382 3.851 8.401 1.00 1.19 O ATOM 0 H SER A 11 -10.761 2.541 5.547 1.00 0.27 H new ATOM 0 HA SER A 11 -9.434 4.846 6.863 1.00 0.27 H new ATOM 0 HB2 SER A 11 -10.212 2.184 8.070 1.00 0.37 H new ATOM 0 HB3 SER A 11 -9.401 3.515 8.870 1.00 0.37 H new ATOM 0 HG SER A 11 -11.693 3.517 9.268 1.00 1.19 H new ATOM 141 N VAL A 12 -7.228 3.645 6.514 1.00 0.23 N ATOM 142 CA VAL A 12 -5.990 3.078 6.036 1.00 0.22 C ATOM 143 C VAL A 12 -5.121 2.694 7.205 1.00 0.24 C ATOM 144 O VAL A 12 -4.742 3.533 8.014 1.00 0.29 O ATOM 145 CB VAL A 12 -5.229 4.088 5.125 1.00 0.23 C ATOM 146 CG1 VAL A 12 -3.906 3.537 4.692 1.00 0.24 C ATOM 147 CG2 VAL A 12 -6.027 4.397 3.895 1.00 0.27 C ATOM 0 H VAL A 12 -7.126 4.526 7.018 1.00 0.23 H new ATOM 0 HA VAL A 12 -6.224 2.192 5.446 1.00 0.22 H new ATOM 0 HB VAL A 12 -5.076 4.993 5.712 1.00 0.23 H new ATOM 0 HG11 VAL A 12 -3.399 4.264 4.058 1.00 0.24 H new ATOM 0 HG12 VAL A 12 -3.293 3.331 5.569 1.00 0.24 H new ATOM 0 HG13 VAL A 12 -4.062 2.614 4.133 1.00 0.24 H new ATOM 0 HG21 VAL A 12 -5.478 5.104 3.273 1.00 0.27 H new ATOM 0 HG22 VAL A 12 -6.201 3.479 3.334 1.00 0.27 H new ATOM 0 HG23 VAL A 12 -6.984 4.834 4.182 1.00 0.27 H new ATOM 157 N GLN A 13 -4.855 1.437 7.330 1.00 0.24 N ATOM 158 CA GLN A 13 -4.009 0.960 8.370 1.00 0.29 C ATOM 159 C GLN A 13 -2.773 0.355 7.758 1.00 0.26 C ATOM 160 O GLN A 13 -2.851 -0.616 6.993 1.00 0.32 O ATOM 161 CB GLN A 13 -4.724 -0.081 9.210 1.00 0.40 C ATOM 162 CG GLN A 13 -6.016 0.397 9.847 1.00 0.68 C ATOM 163 CD GLN A 13 -6.740 -0.731 10.528 1.00 1.43 C ATOM 164 OE1 GLN A 13 -6.630 -1.886 10.108 1.00 2.18 O ATOM 165 NE2 GLN A 13 -7.463 -0.435 11.570 1.00 2.06 N ATOM 0 H GLN A 13 -5.219 0.711 6.713 1.00 0.24 H new ATOM 0 HA GLN A 13 -3.737 1.794 9.017 1.00 0.29 H new ATOM 0 HB2 GLN A 13 -4.942 -0.946 8.584 1.00 0.40 H new ATOM 0 HB3 GLN A 13 -4.050 -0.419 9.997 1.00 0.40 H new ATOM 0 HG2 GLN A 13 -5.798 1.182 10.571 1.00 0.68 H new ATOM 0 HG3 GLN A 13 -6.659 0.837 9.084 1.00 0.68 H new ATOM 0 HE21 GLN A 13 -7.529 0.532 11.887 1.00 2.06 H new ATOM 0 HE22 GLN A 13 -7.963 -1.170 12.069 1.00 2.06 H new ATOM 174 N LEU A 14 -1.663 0.933 8.045 1.00 0.28 N ATOM 175 CA LEU A 14 -0.417 0.425 7.576 1.00 0.25 C ATOM 176 C LEU A 14 0.206 -0.445 8.636 1.00 0.25 C ATOM 177 O LEU A 14 -0.115 -0.322 9.820 1.00 0.33 O ATOM 178 CB LEU A 14 0.493 1.556 7.079 1.00 0.24 C ATOM 179 CG LEU A 14 0.123 2.087 5.685 1.00 0.24 C ATOM 180 CD1 LEU A 14 0.821 3.387 5.377 1.00 0.23 C ATOM 181 CD2 LEU A 14 0.503 1.067 4.641 1.00 0.25 C ATOM 0 H LEU A 14 -1.589 1.776 8.614 1.00 0.28 H new ATOM 0 HA LEU A 14 -0.580 -0.209 6.705 1.00 0.25 H new ATOM 0 HB2 LEU A 14 0.455 2.379 7.792 1.00 0.24 H new ATOM 0 HB3 LEU A 14 1.522 1.198 7.059 1.00 0.24 H new ATOM 0 HG LEU A 14 -0.952 2.266 5.673 1.00 0.24 H new ATOM 0 HD11 LEU A 14 0.532 3.728 4.383 1.00 0.23 H new ATOM 0 HD12 LEU A 14 0.536 4.137 6.115 1.00 0.23 H new ATOM 0 HD13 LEU A 14 1.900 3.237 5.410 1.00 0.23 H new ATOM 0 HD21 LEU A 14 0.241 1.443 3.652 1.00 0.25 H new ATOM 0 HD22 LEU A 14 1.576 0.883 4.686 1.00 0.25 H new ATOM 0 HD23 LEU A 14 -0.033 0.137 4.829 1.00 0.25 H new ATOM 193 N HIS A 15 1.063 -1.331 8.229 1.00 0.21 N ATOM 194 CA HIS A 15 1.637 -2.311 9.124 1.00 0.24 C ATOM 195 C HIS A 15 3.125 -2.277 8.915 1.00 0.21 C ATOM 196 O HIS A 15 3.589 -2.063 7.794 1.00 0.22 O ATOM 197 CB HIS A 15 1.124 -3.746 8.785 1.00 0.34 C ATOM 198 CG HIS A 15 -0.382 -3.992 8.867 1.00 0.54 C ATOM 199 ND1 HIS A 15 -0.933 -5.058 9.545 1.00 0.92 N ATOM 200 CD2 HIS A 15 -1.429 -3.355 8.286 1.00 0.62 C ATOM 201 CE1 HIS A 15 -2.243 -5.060 9.380 1.00 1.03 C ATOM 202 NE2 HIS A 15 -2.564 -4.038 8.620 1.00 0.83 N ATOM 0 H HIS A 15 1.390 -1.402 7.266 1.00 0.21 H new ATOM 0 HA HIS A 15 1.358 -2.080 10.152 1.00 0.24 H new ATOM 0 HB2 HIS A 15 1.451 -3.990 7.774 1.00 0.34 H new ATOM 0 HB3 HIS A 15 1.617 -4.448 9.458 1.00 0.34 H new ATOM 0 HD2 HIS A 15 -1.375 -2.469 7.671 1.00 0.62 H new ATOM 0 HE1 HIS A 15 -2.932 -5.779 9.798 1.00 1.03 H new ATOM 0 HE2 HIS A 15 -3.510 -3.793 8.326 1.00 0.83 H new ATOM 211 N THR A 16 3.853 -2.423 9.995 1.00 0.26 N ATOM 212 CA THR A 16 5.289 -2.379 9.986 1.00 0.29 C ATOM 213 C THR A 16 5.858 -3.515 9.123 1.00 0.25 C ATOM 214 O THR A 16 5.479 -4.686 9.278 1.00 0.27 O ATOM 215 CB THR A 16 5.815 -2.498 11.425 1.00 0.38 C ATOM 216 OG1 THR A 16 5.102 -1.562 12.259 1.00 0.49 O ATOM 217 CG2 THR A 16 7.302 -2.173 11.472 1.00 0.47 C ATOM 0 H THR A 16 3.453 -2.578 10.921 1.00 0.26 H new ATOM 0 HA THR A 16 5.610 -1.429 9.559 1.00 0.29 H new ATOM 0 HB THR A 16 5.663 -3.517 11.780 1.00 0.38 H new ATOM 0 HG1 THR A 16 5.428 -1.630 13.181 1.00 0.49 H new ATOM 0 HG21 THR A 16 7.661 -2.261 12.497 1.00 0.47 H new ATOM 0 HG22 THR A 16 7.847 -2.870 10.835 1.00 0.47 H new ATOM 0 HG23 THR A 16 7.463 -1.155 11.117 1.00 0.47 H new ATOM 225 N ALA A 17 6.762 -3.136 8.231 1.00 0.28 N ATOM 226 CA ALA A 17 7.389 -4.025 7.267 1.00 0.30 C ATOM 227 C ALA A 17 8.060 -5.214 7.934 1.00 0.35 C ATOM 228 O ALA A 17 8.700 -5.076 8.991 1.00 0.40 O ATOM 229 CB ALA A 17 8.408 -3.252 6.441 1.00 0.37 C ATOM 0 H ALA A 17 7.088 -2.172 8.157 1.00 0.28 H new ATOM 0 HA ALA A 17 6.603 -4.415 6.620 1.00 0.30 H new ATOM 0 HB1 ALA A 17 8.876 -3.922 5.720 1.00 0.37 H new ATOM 0 HB2 ALA A 17 7.907 -2.441 5.912 1.00 0.37 H new ATOM 0 HB3 ALA A 17 9.172 -2.838 7.100 1.00 0.37 H new ATOM 235 N VAL A 18 7.936 -6.354 7.316 1.00 0.38 N ATOM 236 CA VAL A 18 8.504 -7.571 7.846 1.00 0.48 C ATOM 237 C VAL A 18 9.907 -7.774 7.288 1.00 0.56 C ATOM 238 O VAL A 18 10.174 -7.508 6.104 1.00 0.52 O ATOM 239 CB VAL A 18 7.602 -8.807 7.574 1.00 0.54 C ATOM 240 CG1 VAL A 18 6.273 -8.658 8.302 1.00 0.57 C ATOM 241 CG2 VAL A 18 7.355 -8.999 6.083 1.00 0.52 C ATOM 0 H VAL A 18 7.440 -6.471 6.432 1.00 0.38 H new ATOM 0 HA VAL A 18 8.567 -7.469 8.929 1.00 0.48 H new ATOM 0 HB VAL A 18 8.124 -9.688 7.948 1.00 0.54 H new ATOM 0 HG11 VAL A 18 5.650 -9.530 8.104 1.00 0.57 H new ATOM 0 HG12 VAL A 18 6.453 -8.576 9.374 1.00 0.57 H new ATOM 0 HG13 VAL A 18 5.764 -7.761 7.950 1.00 0.57 H new ATOM 0 HG21 VAL A 18 6.721 -9.872 5.929 1.00 0.52 H new ATOM 0 HG22 VAL A 18 6.861 -8.115 5.679 1.00 0.52 H new ATOM 0 HG23 VAL A 18 8.307 -9.147 5.573 1.00 0.52 H new ATOM 251 N GLU A 19 10.786 -8.219 8.150 1.00 0.72 N ATOM 252 CA GLU A 19 12.197 -8.314 7.865 1.00 0.84 C ATOM 253 C GLU A 19 12.558 -9.606 7.165 1.00 0.84 C ATOM 254 O GLU A 19 12.381 -10.710 7.712 1.00 0.96 O ATOM 255 CB GLU A 19 12.989 -8.182 9.151 1.00 1.06 C ATOM 256 CG GLU A 19 12.697 -6.903 9.908 1.00 1.72 C ATOM 257 CD GLU A 19 13.444 -6.827 11.194 1.00 2.02 C ATOM 258 OE1 GLU A 19 12.979 -7.411 12.203 1.00 2.52 O ATOM 259 OE2 GLU A 19 14.485 -6.181 11.236 1.00 2.38 O ATOM 0 H GLU A 19 10.537 -8.532 9.088 1.00 0.72 H new ATOM 0 HA GLU A 19 12.449 -7.499 7.187 1.00 0.84 H new ATOM 0 HB2 GLU A 19 12.769 -9.034 9.794 1.00 1.06 H new ATOM 0 HB3 GLU A 19 14.053 -8.224 8.920 1.00 1.06 H new ATOM 0 HG2 GLU A 19 12.959 -6.047 9.286 1.00 1.72 H new ATOM 0 HG3 GLU A 19 11.627 -6.837 10.107 1.00 1.72 H new ATOM 266 N MET A 20 13.051 -9.454 5.968 1.00 0.79 N ATOM 267 CA MET A 20 13.507 -10.521 5.118 1.00 0.84 C ATOM 268 C MET A 20 14.259 -9.883 3.964 1.00 0.81 C ATOM 269 O MET A 20 14.476 -8.661 4.000 1.00 0.84 O ATOM 270 CB MET A 20 12.339 -11.436 4.664 1.00 0.88 C ATOM 271 CG MET A 20 11.168 -10.734 4.012 1.00 0.88 C ATOM 272 SD MET A 20 9.806 -11.870 3.661 1.00 0.88 S ATOM 273 CE MET A 20 8.630 -10.769 2.881 1.00 0.58 C ATOM 0 H MET A 20 13.151 -8.536 5.536 1.00 0.79 H new ATOM 0 HA MET A 20 14.178 -11.190 5.657 1.00 0.84 H new ATOM 0 HB2 MET A 20 12.731 -12.174 3.964 1.00 0.88 H new ATOM 0 HB3 MET A 20 11.973 -11.983 5.532 1.00 0.88 H new ATOM 0 HG2 MET A 20 10.815 -9.936 4.665 1.00 0.88 H new ATOM 0 HG3 MET A 20 11.497 -10.265 3.085 1.00 0.88 H new ATOM 0 HE1 MET A 20 7.624 -11.174 2.991 1.00 0.58 H new ATOM 0 HE2 MET A 20 8.680 -9.789 3.355 1.00 0.58 H new ATOM 0 HE3 MET A 20 8.869 -10.673 1.822 1.00 0.58 H new ATOM 283 N HIS A 21 14.684 -10.656 2.973 1.00 0.92 N ATOM 284 CA HIS A 21 15.488 -10.099 1.878 1.00 1.01 C ATOM 285 C HIS A 21 14.667 -9.101 1.060 1.00 0.82 C ATOM 286 O HIS A 21 15.094 -7.970 0.854 1.00 0.95 O ATOM 287 CB HIS A 21 16.072 -11.193 0.985 1.00 1.24 C ATOM 288 CG HIS A 21 17.264 -10.741 0.187 1.00 1.65 C ATOM 289 ND1 HIS A 21 17.293 -10.697 -1.185 1.00 2.31 N ATOM 290 CD2 HIS A 21 18.489 -10.339 0.592 1.00 2.19 C ATOM 291 CE1 HIS A 21 18.477 -10.290 -1.586 1.00 2.75 C ATOM 292 NE2 HIS A 21 19.216 -10.067 -0.528 1.00 2.66 N ATOM 0 H HIS A 21 14.493 -11.655 2.899 1.00 0.92 H new ATOM 0 HA HIS A 21 16.329 -9.569 2.325 1.00 1.01 H new ATOM 0 HB2 HIS A 21 16.360 -12.042 1.605 1.00 1.24 H new ATOM 0 HB3 HIS A 21 15.299 -11.545 0.302 1.00 1.24 H new ATOM 0 HD2 HIS A 21 18.829 -10.250 1.613 1.00 2.19 H new ATOM 0 HE1 HIS A 21 18.787 -10.162 -2.612 1.00 2.75 H new ATOM 0 HE2 HIS A 21 20.183 -9.741 -0.540 1.00 2.66 H new ATOM 301 N HIS A 22 13.505 -9.515 0.606 1.00 0.67 N ATOM 302 CA HIS A 22 12.597 -8.590 -0.058 1.00 0.59 C ATOM 303 C HIS A 22 11.543 -8.146 0.939 1.00 0.49 C ATOM 304 O HIS A 22 10.896 -8.969 1.561 1.00 0.57 O ATOM 305 CB HIS A 22 11.985 -9.155 -1.383 1.00 0.76 C ATOM 306 CG HIS A 22 11.228 -10.462 -1.301 1.00 1.13 C ATOM 307 ND1 HIS A 22 11.712 -11.640 -1.820 1.00 1.52 N ATOM 308 CD2 HIS A 22 9.995 -10.755 -0.827 1.00 2.11 C ATOM 309 CE1 HIS A 22 10.819 -12.589 -1.671 1.00 2.06 C ATOM 310 NE2 HIS A 22 9.771 -12.080 -1.073 1.00 2.46 N ATOM 0 H HIS A 22 13.164 -10.473 0.680 1.00 0.67 H new ATOM 0 HA HIS A 22 13.168 -7.722 -0.387 1.00 0.59 H new ATOM 0 HB2 HIS A 22 11.311 -8.401 -1.791 1.00 0.76 H new ATOM 0 HB3 HIS A 22 12.795 -9.280 -2.101 1.00 0.76 H new ATOM 0 HD2 HIS A 22 9.315 -10.069 -0.344 1.00 2.11 H new ATOM 0 HE1 HIS A 22 10.929 -13.616 -1.988 1.00 2.06 H new ATOM 0 HE2 HIS A 22 8.923 -12.591 -0.830 1.00 2.46 H new ATOM 319 N TRP A 23 11.383 -6.858 1.092 1.00 0.41 N ATOM 320 CA TRP A 23 10.531 -6.315 2.139 1.00 0.36 C ATOM 321 C TRP A 23 9.080 -6.306 1.744 1.00 0.32 C ATOM 322 O TRP A 23 8.741 -6.142 0.578 1.00 0.44 O ATOM 323 CB TRP A 23 10.962 -4.900 2.508 1.00 0.43 C ATOM 324 CG TRP A 23 12.337 -4.810 3.090 1.00 0.47 C ATOM 325 CD1 TRP A 23 13.508 -4.738 2.406 1.00 0.52 C ATOM 326 CD2 TRP A 23 12.679 -4.768 4.481 1.00 0.56 C ATOM 327 NE1 TRP A 23 14.555 -4.670 3.282 1.00 0.57 N ATOM 328 CE2 TRP A 23 14.075 -4.681 4.561 1.00 0.60 C ATOM 329 CE3 TRP A 23 11.939 -4.794 5.663 1.00 0.70 C ATOM 330 CZ2 TRP A 23 14.754 -4.623 5.778 1.00 0.73 C ATOM 331 CZ3 TRP A 23 12.608 -4.735 6.868 1.00 0.85 C ATOM 332 CH2 TRP A 23 14.002 -4.649 6.919 1.00 0.86 C ATOM 0 H TRP A 23 11.831 -6.154 0.505 1.00 0.41 H new ATOM 0 HA TRP A 23 10.644 -6.970 3.003 1.00 0.36 H new ATOM 0 HB2 TRP A 23 10.915 -4.274 1.617 1.00 0.43 H new ATOM 0 HB3 TRP A 23 10.249 -4.490 3.224 1.00 0.43 H new ATOM 0 HD1 TRP A 23 13.599 -4.735 1.330 1.00 0.52 H new ATOM 0 HE1 TRP A 23 15.540 -4.619 3.022 1.00 0.57 H new ATOM 0 HE3 TRP A 23 10.861 -4.859 5.635 1.00 0.70 H new ATOM 0 HZ2 TRP A 23 15.831 -4.560 5.817 1.00 0.73 H new ATOM 0 HZ3 TRP A 23 12.044 -4.756 7.789 1.00 0.85 H new ATOM 0 HH2 TRP A 23 14.495 -4.602 7.879 1.00 0.86 H new ATOM 343 N CYS A 24 8.237 -6.474 2.720 1.00 0.27 N ATOM 344 CA CYS A 24 6.819 -6.481 2.523 1.00 0.25 C ATOM 345 C CYS A 24 6.186 -5.563 3.550 1.00 0.23 C ATOM 346 O CYS A 24 6.387 -5.748 4.764 1.00 0.25 O ATOM 347 CB CYS A 24 6.272 -7.923 2.653 1.00 0.28 C ATOM 348 SG CYS A 24 4.456 -8.117 2.469 1.00 0.30 S ATOM 0 H CYS A 24 8.521 -6.612 3.690 1.00 0.27 H new ATOM 0 HA CYS A 24 6.575 -6.124 1.523 1.00 0.25 H new ATOM 0 HB2 CYS A 24 6.761 -8.544 1.903 1.00 0.28 H new ATOM 0 HB3 CYS A 24 6.562 -8.313 3.629 1.00 0.28 H new ATOM 353 N ILE A 25 5.515 -4.536 3.066 1.00 0.20 N ATOM 354 CA ILE A 25 4.766 -3.620 3.897 1.00 0.19 C ATOM 355 C ILE A 25 3.283 -3.968 3.743 1.00 0.18 C ATOM 356 O ILE A 25 2.659 -3.617 2.729 1.00 0.18 O ATOM 357 CB ILE A 25 4.988 -2.137 3.460 1.00 0.21 C ATOM 358 CG1 ILE A 25 6.477 -1.753 3.550 1.00 0.25 C ATOM 359 CG2 ILE A 25 4.128 -1.178 4.298 1.00 0.22 C ATOM 360 CD1 ILE A 25 6.795 -0.363 3.032 1.00 0.30 C ATOM 0 H ILE A 25 5.476 -4.313 2.071 1.00 0.20 H new ATOM 0 HA ILE A 25 5.100 -3.716 4.930 1.00 0.19 H new ATOM 0 HB ILE A 25 4.676 -2.047 2.419 1.00 0.21 H new ATOM 0 HG12 ILE A 25 6.796 -1.822 4.590 1.00 0.25 H new ATOM 0 HG13 ILE A 25 7.063 -2.480 2.988 1.00 0.25 H new ATOM 0 HG21 ILE A 25 4.303 -0.153 3.972 1.00 0.22 H new ATOM 0 HG22 ILE A 25 3.075 -1.425 4.167 1.00 0.22 H new ATOM 0 HG23 ILE A 25 4.395 -1.275 5.350 1.00 0.22 H new ATOM 0 HD11 ILE A 25 7.864 -0.173 3.132 1.00 0.30 H new ATOM 0 HD12 ILE A 25 6.510 -0.292 1.982 1.00 0.30 H new ATOM 0 HD13 ILE A 25 6.240 0.376 3.609 1.00 0.30 H new ATOM 372 N PRO A 26 2.711 -4.715 4.691 1.00 0.20 N ATOM 373 CA PRO A 26 1.313 -5.097 4.632 1.00 0.21 C ATOM 374 C PRO A 26 0.413 -3.909 4.935 1.00 0.21 C ATOM 375 O PRO A 26 0.745 -3.058 5.774 1.00 0.23 O ATOM 376 CB PRO A 26 1.169 -6.171 5.730 1.00 0.25 C ATOM 377 CG PRO A 26 2.560 -6.455 6.207 1.00 0.28 C ATOM 378 CD PRO A 26 3.369 -5.235 5.893 1.00 0.24 C ATOM 0 HA PRO A 26 1.024 -5.458 3.645 1.00 0.21 H new ATOM 0 HB2 PRO A 26 0.541 -5.814 6.546 1.00 0.25 H new ATOM 0 HB3 PRO A 26 0.699 -7.072 5.336 1.00 0.25 H new ATOM 0 HG2 PRO A 26 2.569 -6.663 7.277 1.00 0.28 H new ATOM 0 HG3 PRO A 26 2.971 -7.333 5.708 1.00 0.28 H new ATOM 0 HD2 PRO A 26 3.349 -4.514 6.710 1.00 0.24 H new ATOM 0 HD3 PRO A 26 4.415 -5.479 5.709 1.00 0.24 H new ATOM 386 N PHE A 27 -0.700 -3.832 4.272 1.00 0.23 N ATOM 387 CA PHE A 27 -1.618 -2.755 4.504 1.00 0.25 C ATOM 388 C PHE A 27 -3.031 -3.270 4.537 1.00 0.25 C ATOM 389 O PHE A 27 -3.333 -4.335 3.974 1.00 0.30 O ATOM 390 CB PHE A 27 -1.464 -1.635 3.447 1.00 0.27 C ATOM 391 CG PHE A 27 -1.753 -2.041 2.026 1.00 0.28 C ATOM 392 CD1 PHE A 27 -3.044 -1.997 1.527 1.00 0.29 C ATOM 393 CD2 PHE A 27 -0.734 -2.455 1.192 1.00 0.32 C ATOM 394 CE1 PHE A 27 -3.311 -2.366 0.229 1.00 0.34 C ATOM 395 CE2 PHE A 27 -0.995 -2.823 -0.106 1.00 0.36 C ATOM 396 CZ PHE A 27 -2.287 -2.781 -0.589 1.00 0.37 C ATOM 0 H PHE A 27 -0.997 -4.503 3.564 1.00 0.23 H new ATOM 0 HA PHE A 27 -1.382 -2.319 5.475 1.00 0.25 H new ATOM 0 HB2 PHE A 27 -2.129 -0.813 3.714 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -0.445 -1.250 3.497 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -3.851 -1.669 2.165 1.00 0.29 H new ATOM 0 HD2 PHE A 27 0.279 -2.490 1.564 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -4.323 -2.330 -0.147 1.00 0.34 H new ATOM 0 HE2 PHE A 27 -0.189 -3.145 -0.748 1.00 0.36 H new ATOM 0 HZ PHE A 27 -2.493 -3.074 -1.608 1.00 0.37 H new ATOM 406 N SER A 28 -3.868 -2.560 5.214 1.00 0.25 N ATOM 407 CA SER A 28 -5.251 -2.857 5.263 1.00 0.28 C ATOM 408 C SER A 28 -6.071 -1.592 5.021 1.00 0.24 C ATOM 409 O SER A 28 -5.990 -0.613 5.777 1.00 0.27 O ATOM 410 CB SER A 28 -5.606 -3.575 6.579 1.00 0.41 C ATOM 411 OG SER A 28 -4.964 -2.968 7.707 1.00 0.88 O ATOM 0 H SER A 28 -3.600 -1.740 5.759 1.00 0.25 H new ATOM 0 HA SER A 28 -5.505 -3.551 4.462 1.00 0.28 H new ATOM 0 HB2 SER A 28 -6.686 -3.557 6.723 1.00 0.41 H new ATOM 0 HB3 SER A 28 -5.311 -4.622 6.513 1.00 0.41 H new ATOM 0 HG SER A 28 -5.619 -2.835 8.424 1.00 0.88 H new ATOM 417 N VAL A 29 -6.768 -1.591 3.918 1.00 0.23 N ATOM 418 CA VAL A 29 -7.648 -0.513 3.534 1.00 0.21 C ATOM 419 C VAL A 29 -8.979 -1.140 3.178 1.00 0.21 C ATOM 420 O VAL A 29 -9.012 -2.201 2.547 1.00 0.27 O ATOM 421 CB VAL A 29 -7.083 0.307 2.309 1.00 0.22 C ATOM 422 CG1 VAL A 29 -6.800 -0.602 1.135 1.00 0.25 C ATOM 423 CG2 VAL A 29 -8.076 1.392 1.892 1.00 0.26 C ATOM 0 H VAL A 29 -6.742 -2.356 3.243 1.00 0.23 H new ATOM 0 HA VAL A 29 -7.745 0.195 4.357 1.00 0.21 H new ATOM 0 HB VAL A 29 -6.149 0.775 2.620 1.00 0.22 H new ATOM 0 HG11 VAL A 29 -6.412 -0.013 0.304 1.00 0.25 H new ATOM 0 HG12 VAL A 29 -6.063 -1.351 1.424 1.00 0.25 H new ATOM 0 HG13 VAL A 29 -7.721 -1.098 0.829 1.00 0.25 H new ATOM 0 HG21 VAL A 29 -7.672 1.949 1.046 1.00 0.26 H new ATOM 0 HG22 VAL A 29 -9.020 0.930 1.605 1.00 0.26 H new ATOM 0 HG23 VAL A 29 -8.244 2.072 2.727 1.00 0.26 H new ATOM 433 N ASP A 30 -10.047 -0.552 3.589 1.00 0.27 N ATOM 434 CA ASP A 30 -11.329 -1.118 3.292 1.00 0.35 C ATOM 435 C ASP A 30 -12.259 -0.074 2.763 1.00 0.37 C ATOM 436 O ASP A 30 -11.999 1.127 2.885 1.00 0.48 O ATOM 437 CB ASP A 30 -11.936 -1.813 4.509 1.00 0.51 C ATOM 438 CG ASP A 30 -12.431 -0.877 5.572 1.00 0.80 C ATOM 439 OD1 ASP A 30 -11.597 -0.288 6.284 1.00 1.39 O ATOM 440 OD2 ASP A 30 -13.663 -0.652 5.674 1.00 1.30 O ATOM 0 H ASP A 30 -10.067 0.314 4.128 1.00 0.27 H new ATOM 0 HA ASP A 30 -11.181 -1.875 2.521 1.00 0.35 H new ATOM 0 HB2 ASP A 30 -12.764 -2.440 4.179 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -11.188 -2.476 4.945 1.00 0.51 H new ATOM 445 N GLY A 31 -13.289 -0.532 2.134 1.00 0.37 N ATOM 446 CA GLY A 31 -14.284 0.315 1.582 1.00 0.42 C ATOM 447 C GLY A 31 -15.096 -0.451 0.588 1.00 0.46 C ATOM 448 O GLY A 31 -14.613 -1.445 0.039 1.00 0.60 O ATOM 0 H GLY A 31 -13.463 -1.526 1.988 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -14.927 0.701 2.373 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -13.818 1.175 1.101 1.00 0.42 H new ATOM 452 N GLN A 32 -16.324 -0.050 0.375 1.00 0.55 N ATOM 453 CA GLN A 32 -17.134 -0.726 -0.613 1.00 0.64 C ATOM 454 C GLN A 32 -16.758 -0.171 -1.994 1.00 0.61 C ATOM 455 O GLN A 32 -16.374 -0.946 -2.878 1.00 0.68 O ATOM 456 CB GLN A 32 -18.650 -0.652 -0.280 1.00 0.76 C ATOM 457 CG GLN A 32 -19.537 -1.631 -1.058 1.00 0.99 C ATOM 458 CD GLN A 32 -19.736 -1.273 -2.512 1.00 1.82 C ATOM 459 OE1 GLN A 32 -19.759 -0.101 -2.889 1.00 2.42 O ATOM 460 NE2 GLN A 32 -19.847 -2.262 -3.338 1.00 2.61 N ATOM 0 H GLN A 32 -16.779 0.724 0.859 1.00 0.55 H new ATOM 0 HA GLN A 32 -16.926 -1.796 -0.611 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -18.781 -0.836 0.786 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -18.999 0.362 -0.473 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -19.097 -2.627 -0.999 1.00 0.99 H new ATOM 0 HG3 GLN A 32 -20.512 -1.684 -0.573 1.00 0.99 H new ATOM 0 HE21 GLN A 32 -19.824 -3.221 -2.991 1.00 2.61 H new ATOM 0 HE22 GLN A 32 -19.958 -2.083 -4.336 1.00 2.61 H new ATOM 469 N PRO A 33 -16.853 1.179 -2.235 1.00 0.59 N ATOM 470 CA PRO A 33 -16.281 1.753 -3.431 1.00 0.62 C ATOM 471 C PRO A 33 -14.766 1.660 -3.307 1.00 0.53 C ATOM 472 O PRO A 33 -14.183 2.167 -2.331 1.00 0.44 O ATOM 473 CB PRO A 33 -16.748 3.220 -3.416 1.00 0.67 C ATOM 474 CG PRO A 33 -17.088 3.504 -1.996 1.00 0.78 C ATOM 475 CD PRO A 33 -17.554 2.208 -1.415 1.00 0.63 C ATOM 0 HA PRO A 33 -16.578 1.256 -4.355 1.00 0.62 H new ATOM 0 HB2 PRO A 33 -15.964 3.887 -3.775 1.00 0.67 H new ATOM 0 HB3 PRO A 33 -17.612 3.365 -4.065 1.00 0.67 H new ATOM 0 HG2 PRO A 33 -16.221 3.884 -1.456 1.00 0.78 H new ATOM 0 HG3 PRO A 33 -17.866 4.265 -1.926 1.00 0.78 H new ATOM 0 HD2 PRO A 33 -17.292 2.125 -0.360 1.00 0.63 H new ATOM 0 HD3 PRO A 33 -18.637 2.105 -1.484 1.00 0.63 H new ATOM 483 N ALA A 34 -14.155 0.979 -4.248 1.00 0.62 N ATOM 484 CA ALA A 34 -12.737 0.704 -4.220 1.00 0.60 C ATOM 485 C ALA A 34 -11.917 1.981 -4.254 1.00 0.52 C ATOM 486 O ALA A 34 -11.928 2.711 -5.257 1.00 0.63 O ATOM 487 CB ALA A 34 -12.370 -0.186 -5.378 1.00 0.78 C ATOM 0 H ALA A 34 -14.633 0.596 -5.063 1.00 0.62 H new ATOM 0 HA ALA A 34 -12.509 0.195 -3.284 1.00 0.60 H new ATOM 0 HB1 ALA A 34 -11.300 -0.392 -5.354 1.00 0.78 H new ATOM 0 HB2 ALA A 34 -12.921 -1.124 -5.305 1.00 0.78 H new ATOM 0 HB3 ALA A 34 -12.623 0.312 -6.314 1.00 0.78 H new ATOM 493 N PRO A 35 -11.182 2.280 -3.176 1.00 0.39 N ATOM 494 CA PRO A 35 -10.406 3.483 -3.107 1.00 0.35 C ATOM 495 C PRO A 35 -9.104 3.365 -3.873 1.00 0.41 C ATOM 496 O PRO A 35 -8.400 2.348 -3.791 1.00 0.56 O ATOM 497 CB PRO A 35 -10.130 3.644 -1.617 1.00 0.29 C ATOM 498 CG PRO A 35 -10.059 2.257 -1.101 1.00 0.31 C ATOM 499 CD PRO A 35 -11.039 1.458 -1.939 1.00 0.37 C ATOM 0 HA PRO A 35 -10.928 4.331 -3.550 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -9.198 4.181 -1.442 1.00 0.29 H new ATOM 0 HB3 PRO A 35 -10.921 4.210 -1.126 1.00 0.29 H new ATOM 0 HG2 PRO A 35 -9.049 1.857 -1.191 1.00 0.31 H new ATOM 0 HG3 PRO A 35 -10.324 2.218 -0.044 1.00 0.31 H new ATOM 0 HD2 PRO A 35 -10.659 0.461 -2.160 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -11.994 1.330 -1.429 1.00 0.37 H new ATOM 507 N SER A 36 -8.797 4.375 -4.626 1.00 0.39 N ATOM 508 CA SER A 36 -7.566 4.421 -5.323 1.00 0.44 C ATOM 509 C SER A 36 -6.446 4.700 -4.333 1.00 0.37 C ATOM 510 O SER A 36 -6.451 5.733 -3.640 1.00 0.41 O ATOM 511 CB SER A 36 -7.651 5.459 -6.431 1.00 0.57 C ATOM 512 OG SER A 36 -8.413 6.592 -6.003 1.00 1.37 O ATOM 0 H SER A 36 -9.398 5.187 -4.770 1.00 0.39 H new ATOM 0 HA SER A 36 -7.349 3.465 -5.799 1.00 0.44 H new ATOM 0 HB2 SER A 36 -6.648 5.776 -6.718 1.00 0.57 H new ATOM 0 HB3 SER A 36 -8.111 5.018 -7.315 1.00 0.57 H new ATOM 0 HG SER A 36 -8.456 7.250 -6.728 1.00 1.37 H new ATOM 518 N LEU A 37 -5.557 3.749 -4.208 1.00 0.33 N ATOM 519 CA LEU A 37 -4.463 3.840 -3.286 1.00 0.30 C ATOM 520 C LEU A 37 -3.309 4.542 -3.940 1.00 0.32 C ATOM 521 O LEU A 37 -2.888 4.172 -5.037 1.00 0.50 O ATOM 522 CB LEU A 37 -4.027 2.453 -2.828 1.00 0.32 C ATOM 523 CG LEU A 37 -5.071 1.616 -2.100 1.00 0.32 C ATOM 524 CD1 LEU A 37 -4.506 0.255 -1.794 1.00 0.43 C ATOM 525 CD2 LEU A 37 -5.492 2.300 -0.812 1.00 0.27 C ATOM 0 H LEU A 37 -5.575 2.884 -4.749 1.00 0.33 H new ATOM 0 HA LEU A 37 -4.790 4.406 -2.414 1.00 0.30 H new ATOM 0 HB2 LEU A 37 -3.692 1.895 -3.702 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -3.164 2.566 -2.172 1.00 0.32 H new ATOM 0 HG LEU A 37 -5.946 1.509 -2.741 1.00 0.32 H new ATOM 0 HD11 LEU A 37 -5.255 -0.341 -1.273 1.00 0.43 H new ATOM 0 HD12 LEU A 37 -4.229 -0.242 -2.724 1.00 0.43 H new ATOM 0 HD13 LEU A 37 -3.624 0.361 -1.163 1.00 0.43 H new ATOM 0 HD21 LEU A 37 -6.238 1.690 -0.303 1.00 0.27 H new ATOM 0 HD22 LEU A 37 -4.623 2.425 -0.166 1.00 0.27 H new ATOM 0 HD23 LEU A 37 -5.917 3.277 -1.041 1.00 0.27 H new ATOM 537 N ARG A 38 -2.820 5.541 -3.292 1.00 0.23 N ATOM 538 CA ARG A 38 -1.725 6.295 -3.800 1.00 0.23 C ATOM 539 C ARG A 38 -0.632 6.333 -2.768 1.00 0.22 C ATOM 540 O ARG A 38 -0.892 6.605 -1.594 1.00 0.26 O ATOM 541 CB ARG A 38 -2.184 7.716 -4.163 1.00 0.28 C ATOM 542 CG ARG A 38 -1.114 8.595 -4.803 1.00 0.33 C ATOM 543 CD ARG A 38 -0.597 7.973 -6.085 1.00 1.28 C ATOM 544 NE ARG A 38 -1.695 7.646 -7.011 1.00 1.98 N ATOM 545 CZ ARG A 38 -1.678 6.651 -7.919 1.00 3.10 C ATOM 546 NH1 ARG A 38 -0.629 5.836 -8.005 1.00 3.72 N ATOM 547 NH2 ARG A 38 -2.732 6.455 -8.700 1.00 3.78 N ATOM 0 H ARG A 38 -3.170 5.861 -2.389 1.00 0.23 H new ATOM 0 HA ARG A 38 -1.342 5.824 -4.705 1.00 0.23 H new ATOM 0 HB2 ARG A 38 -3.031 7.645 -4.846 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -2.544 8.207 -3.259 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -1.527 9.582 -5.014 1.00 0.33 H new ATOM 0 HG3 ARG A 38 -0.289 8.737 -4.105 1.00 0.33 H new ATOM 0 HD2 ARG A 38 0.096 8.661 -6.570 1.00 1.28 H new ATOM 0 HD3 ARG A 38 -0.036 7.068 -5.851 1.00 1.28 H new ATOM 0 HE ARG A 38 -2.537 8.220 -6.961 1.00 1.98 H new ATOM 0 HH11 ARG A 38 0.168 5.963 -7.381 1.00 3.72 H new ATOM 0 HH12 ARG A 38 -0.622 5.084 -8.695 1.00 3.72 H new ATOM 0 HH21 ARG A 38 -3.551 7.056 -8.612 1.00 3.78 H new ATOM 0 HH22 ARG A 38 -2.723 5.703 -9.389 1.00 3.78 H new ATOM 561 N TRP A 39 0.565 6.020 -3.182 1.00 0.22 N ATOM 562 CA TRP A 39 1.693 6.088 -2.305 1.00 0.22 C ATOM 563 C TRP A 39 2.393 7.406 -2.480 1.00 0.20 C ATOM 564 O TRP A 39 2.698 7.831 -3.610 1.00 0.26 O ATOM 565 CB TRP A 39 2.681 4.953 -2.557 1.00 0.25 C ATOM 566 CG TRP A 39 2.149 3.591 -2.266 1.00 0.25 C ATOM 567 CD1 TRP A 39 1.645 2.703 -3.163 1.00 0.29 C ATOM 568 CD2 TRP A 39 2.076 2.957 -0.984 1.00 0.24 C ATOM 569 NE1 TRP A 39 1.271 1.555 -2.526 1.00 0.29 N ATOM 570 CE2 TRP A 39 1.519 1.683 -1.183 1.00 0.26 C ATOM 571 CE3 TRP A 39 2.432 3.345 0.316 1.00 0.25 C ATOM 572 CZ2 TRP A 39 1.306 0.790 -0.131 1.00 0.26 C ATOM 573 CZ3 TRP A 39 2.223 2.460 1.355 1.00 0.26 C ATOM 574 CH2 TRP A 39 1.665 1.196 1.128 1.00 0.26 C ATOM 0 H TRP A 39 0.782 5.713 -4.130 1.00 0.22 H new ATOM 0 HA TRP A 39 1.323 5.990 -1.285 1.00 0.22 H new ATOM 0 HB2 TRP A 39 2.998 4.990 -3.599 1.00 0.25 H new ATOM 0 HB3 TRP A 39 3.569 5.120 -1.947 1.00 0.25 H new ATOM 0 HD1 TRP A 39 1.554 2.880 -4.225 1.00 0.29 H new ATOM 0 HE1 TRP A 39 0.871 0.732 -2.977 1.00 0.29 H new ATOM 0 HE3 TRP A 39 2.862 4.318 0.501 1.00 0.25 H new ATOM 0 HZ2 TRP A 39 0.874 -0.185 -0.303 1.00 0.26 H new ATOM 0 HZ3 TRP A 39 2.495 2.748 2.360 1.00 0.26 H new ATOM 0 HH2 TRP A 39 1.514 0.527 1.962 1.00 0.26 H new ATOM 585 N LEU A 40 2.617 8.059 -1.402 1.00 0.25 N ATOM 586 CA LEU A 40 3.340 9.276 -1.403 1.00 0.24 C ATOM 587 C LEU A 40 4.567 9.026 -0.543 1.00 0.27 C ATOM 588 O LEU A 40 4.457 8.532 0.570 1.00 0.34 O ATOM 589 CB LEU A 40 2.461 10.398 -0.840 1.00 0.31 C ATOM 590 CG LEU A 40 2.911 11.831 -1.089 1.00 0.49 C ATOM 591 CD1 LEU A 40 2.833 12.149 -2.563 1.00 0.66 C ATOM 592 CD2 LEU A 40 2.051 12.790 -0.304 1.00 0.95 C ATOM 0 H LEU A 40 2.299 7.760 -0.480 1.00 0.25 H new ATOM 0 HA LEU A 40 3.636 9.589 -2.404 1.00 0.24 H new ATOM 0 HB2 LEU A 40 1.460 10.282 -1.255 1.00 0.31 H new ATOM 0 HB3 LEU A 40 2.378 10.253 0.237 1.00 0.31 H new ATOM 0 HG LEU A 40 3.945 11.938 -0.760 1.00 0.49 H new ATOM 0 HD11 LEU A 40 3.157 13.176 -2.731 1.00 0.66 H new ATOM 0 HD12 LEU A 40 3.481 11.469 -3.117 1.00 0.66 H new ATOM 0 HD13 LEU A 40 1.805 12.032 -2.907 1.00 0.66 H new ATOM 0 HD21 LEU A 40 2.382 13.812 -0.490 1.00 0.95 H new ATOM 0 HD22 LEU A 40 1.011 12.684 -0.614 1.00 0.95 H new ATOM 0 HD23 LEU A 40 2.137 12.569 0.760 1.00 0.95 H new ATOM 604 N PHE A 41 5.705 9.313 -1.068 1.00 0.28 N ATOM 605 CA PHE A 41 6.948 9.005 -0.424 1.00 0.35 C ATOM 606 C PHE A 41 7.720 10.276 -0.182 1.00 0.38 C ATOM 607 O PHE A 41 8.146 10.936 -1.131 1.00 0.41 O ATOM 608 CB PHE A 41 7.732 8.041 -1.320 1.00 0.45 C ATOM 609 CG PHE A 41 9.076 7.628 -0.806 1.00 0.58 C ATOM 610 CD1 PHE A 41 10.232 8.106 -1.392 1.00 0.75 C ATOM 611 CD2 PHE A 41 9.181 6.779 0.280 1.00 0.60 C ATOM 612 CE1 PHE A 41 11.466 7.743 -0.907 1.00 0.88 C ATOM 613 CE2 PHE A 41 10.414 6.412 0.767 1.00 0.74 C ATOM 614 CZ PHE A 41 11.559 6.832 0.111 1.00 0.86 C ATOM 0 H PHE A 41 5.808 9.776 -1.971 1.00 0.28 H new ATOM 0 HA PHE A 41 6.774 8.530 0.542 1.00 0.35 H new ATOM 0 HB2 PHE A 41 7.130 7.145 -1.473 1.00 0.45 H new ATOM 0 HB3 PHE A 41 7.864 8.507 -2.297 1.00 0.45 H new ATOM 0 HD1 PHE A 41 10.166 8.772 -2.240 1.00 0.75 H new ATOM 0 HD2 PHE A 41 8.286 6.400 0.751 1.00 0.60 H new ATOM 0 HE1 PHE A 41 12.361 8.176 -1.328 1.00 0.88 H new ATOM 0 HE2 PHE A 41 10.489 5.801 1.654 1.00 0.74 H new ATOM 0 HZ PHE A 41 12.523 6.442 0.402 1.00 0.86 H new ATOM 624 N ASN A 42 7.840 10.646 1.080 1.00 0.46 N ATOM 625 CA ASN A 42 8.560 11.862 1.523 1.00 0.57 C ATOM 626 C ASN A 42 7.976 13.122 0.883 1.00 0.53 C ATOM 627 O ASN A 42 8.694 14.105 0.646 1.00 0.69 O ATOM 628 CB ASN A 42 10.071 11.800 1.214 1.00 0.73 C ATOM 629 CG ASN A 42 10.821 10.677 1.903 1.00 1.12 C ATOM 630 OD1 ASN A 42 10.448 10.219 2.983 1.00 1.79 O ATOM 631 ND2 ASN A 42 11.890 10.242 1.290 1.00 1.72 N ATOM 0 H ASN A 42 7.439 10.112 1.851 1.00 0.46 H new ATOM 0 HA ASN A 42 8.429 11.906 2.604 1.00 0.57 H new ATOM 0 HB2 ASN A 42 10.202 11.697 0.137 1.00 0.73 H new ATOM 0 HB3 ASN A 42 10.524 12.749 1.501 1.00 0.73 H new ATOM 0 HD21 ASN A 42 12.448 9.497 1.706 1.00 1.72 H new ATOM 0 HD22 ASN A 42 12.166 10.648 0.396 1.00 1.72 H new ATOM 638 N GLY A 43 6.701 13.079 0.567 1.00 0.45 N ATOM 639 CA GLY A 43 6.040 14.206 -0.042 1.00 0.51 C ATOM 640 C GLY A 43 6.014 14.126 -1.555 1.00 0.47 C ATOM 641 O GLY A 43 5.284 14.879 -2.211 1.00 0.61 O ATOM 0 H GLY A 43 6.100 12.270 0.724 1.00 0.45 H new ATOM 0 HA2 GLY A 43 5.018 14.267 0.331 1.00 0.51 H new ATOM 0 HA3 GLY A 43 6.545 15.124 0.260 1.00 0.51 H new ATOM 645 N SER A 44 6.784 13.218 -2.109 1.00 0.38 N ATOM 646 CA SER A 44 6.856 13.058 -3.544 1.00 0.40 C ATOM 647 C SER A 44 6.058 11.850 -3.978 1.00 0.33 C ATOM 648 O SER A 44 5.872 10.911 -3.209 1.00 0.28 O ATOM 649 CB SER A 44 8.325 12.993 -4.013 1.00 0.51 C ATOM 650 OG SER A 44 9.061 11.930 -3.398 1.00 1.37 O ATOM 0 H SER A 44 7.374 12.574 -1.583 1.00 0.38 H new ATOM 0 HA SER A 44 6.410 13.930 -4.023 1.00 0.40 H new ATOM 0 HB2 SER A 44 8.350 12.866 -5.095 1.00 0.51 H new ATOM 0 HB3 SER A 44 8.814 13.942 -3.792 1.00 0.51 H new ATOM 0 HG SER A 44 8.480 11.449 -2.772 1.00 1.37 H new ATOM 656 N VAL A 45 5.557 11.906 -5.183 1.00 0.41 N ATOM 657 CA VAL A 45 4.715 10.863 -5.722 1.00 0.41 C ATOM 658 C VAL A 45 5.524 9.601 -5.965 1.00 0.39 C ATOM 659 O VAL A 45 6.502 9.618 -6.706 1.00 0.45 O ATOM 660 CB VAL A 45 4.019 11.313 -7.036 1.00 0.55 C ATOM 661 CG1 VAL A 45 3.224 10.183 -7.639 1.00 0.68 C ATOM 662 CG2 VAL A 45 3.100 12.483 -6.781 1.00 0.70 C ATOM 0 H VAL A 45 5.721 12.681 -5.826 1.00 0.41 H new ATOM 0 HA VAL A 45 3.939 10.653 -4.986 1.00 0.41 H new ATOM 0 HB VAL A 45 4.801 11.613 -7.734 1.00 0.55 H new ATOM 0 HG11 VAL A 45 2.747 10.524 -8.558 1.00 0.68 H new ATOM 0 HG12 VAL A 45 3.889 9.349 -7.863 1.00 0.68 H new ATOM 0 HG13 VAL A 45 2.460 9.858 -6.932 1.00 0.68 H new ATOM 0 HG21 VAL A 45 2.623 12.781 -7.715 1.00 0.70 H new ATOM 0 HG22 VAL A 45 2.336 12.195 -6.059 1.00 0.70 H new ATOM 0 HG23 VAL A 45 3.676 13.319 -6.385 1.00 0.70 H new ATOM 672 N LEU A 46 5.131 8.529 -5.326 1.00 0.37 N ATOM 673 CA LEU A 46 5.822 7.286 -5.473 1.00 0.40 C ATOM 674 C LEU A 46 5.142 6.467 -6.549 1.00 0.44 C ATOM 675 O LEU A 46 4.047 5.929 -6.341 1.00 0.51 O ATOM 676 CB LEU A 46 5.836 6.525 -4.143 1.00 0.44 C ATOM 677 CG LEU A 46 6.632 5.217 -4.113 1.00 0.51 C ATOM 678 CD1 LEU A 46 8.104 5.480 -4.399 1.00 0.57 C ATOM 679 CD2 LEU A 46 6.462 4.520 -2.771 1.00 0.61 C ATOM 0 H LEU A 46 4.330 8.498 -4.696 1.00 0.37 H new ATOM 0 HA LEU A 46 6.855 7.474 -5.764 1.00 0.40 H new ATOM 0 HB2 LEU A 46 6.238 7.187 -3.376 1.00 0.44 H new ATOM 0 HB3 LEU A 46 4.805 6.304 -3.866 1.00 0.44 H new ATOM 0 HG LEU A 46 6.245 4.560 -4.892 1.00 0.51 H new ATOM 0 HD11 LEU A 46 8.653 4.539 -4.373 1.00 0.57 H new ATOM 0 HD12 LEU A 46 8.208 5.934 -5.384 1.00 0.57 H new ATOM 0 HD13 LEU A 46 8.506 6.156 -3.644 1.00 0.57 H new ATOM 0 HD21 LEU A 46 7.034 3.592 -2.768 1.00 0.61 H new ATOM 0 HD22 LEU A 46 6.822 5.171 -1.975 1.00 0.61 H new ATOM 0 HD23 LEU A 46 5.408 4.296 -2.608 1.00 0.61 H new ATOM 691 N ASN A 47 5.751 6.409 -7.698 1.00 0.54 N ATOM 692 CA ASN A 47 5.208 5.635 -8.794 1.00 0.59 C ATOM 693 C ASN A 47 5.667 4.202 -8.667 1.00 0.53 C ATOM 694 O ASN A 47 6.828 3.937 -8.321 1.00 0.64 O ATOM 695 CB ASN A 47 5.629 6.195 -10.171 1.00 0.79 C ATOM 696 CG ASN A 47 4.964 7.517 -10.532 1.00 1.54 C ATOM 697 OD1 ASN A 47 5.478 8.594 -10.230 1.00 2.47 O ATOM 698 ND2 ASN A 47 3.845 7.454 -11.210 1.00 1.94 N ATOM 0 H ASN A 47 6.627 6.887 -7.908 1.00 0.54 H new ATOM 0 HA ASN A 47 4.121 5.694 -8.737 1.00 0.59 H new ATOM 0 HB2 ASN A 47 6.711 6.329 -10.182 1.00 0.79 H new ATOM 0 HB3 ASN A 47 5.392 5.459 -10.939 1.00 0.79 H new ATOM 0 HD21 ASN A 47 3.377 8.312 -11.502 1.00 1.94 H new ATOM 0 HD22 ASN A 47 3.442 6.547 -11.446 1.00 1.94 H new ATOM 705 N GLU A 48 4.755 3.282 -8.901 1.00 0.49 N ATOM 706 CA GLU A 48 5.051 1.878 -8.840 1.00 0.53 C ATOM 707 C GLU A 48 5.993 1.509 -9.969 1.00 0.53 C ATOM 708 O GLU A 48 5.736 1.829 -11.139 1.00 0.70 O ATOM 709 CB GLU A 48 3.771 1.067 -8.920 1.00 0.69 C ATOM 710 CG GLU A 48 2.750 1.467 -7.879 1.00 0.74 C ATOM 711 CD GLU A 48 1.560 0.556 -7.868 1.00 1.12 C ATOM 712 OE1 GLU A 48 0.520 0.919 -8.440 1.00 1.56 O ATOM 713 OE2 GLU A 48 1.638 -0.551 -7.284 1.00 1.74 O ATOM 0 H GLU A 48 3.786 3.494 -9.139 1.00 0.49 H new ATOM 0 HA GLU A 48 5.535 1.652 -7.890 1.00 0.53 H new ATOM 0 HB2 GLU A 48 3.335 1.184 -9.912 1.00 0.69 H new ATOM 0 HB3 GLU A 48 4.009 0.010 -8.800 1.00 0.69 H new ATOM 0 HG2 GLU A 48 3.218 1.462 -6.894 1.00 0.74 H new ATOM 0 HG3 GLU A 48 2.421 2.488 -8.070 1.00 0.74 H new ATOM 720 N THR A 49 7.047 0.845 -9.623 1.00 0.53 N ATOM 721 CA THR A 49 8.107 0.503 -10.525 1.00 0.58 C ATOM 722 C THR A 49 8.366 -1.002 -10.467 1.00 0.60 C ATOM 723 O THR A 49 7.520 -1.755 -9.994 1.00 0.65 O ATOM 724 CB THR A 49 9.386 1.267 -10.119 1.00 0.71 C ATOM 725 OG1 THR A 49 9.604 1.101 -8.705 1.00 1.57 O ATOM 726 CG2 THR A 49 9.281 2.753 -10.449 1.00 0.98 C ATOM 0 H THR A 49 7.203 0.512 -8.671 1.00 0.53 H new ATOM 0 HA THR A 49 7.825 0.778 -11.541 1.00 0.58 H new ATOM 0 HB THR A 49 10.224 0.858 -10.684 1.00 0.71 H new ATOM 0 HG1 THR A 49 10.416 1.582 -8.440 1.00 1.57 H new ATOM 0 HG21 THR A 49 10.199 3.258 -10.149 1.00 0.98 H new ATOM 0 HG22 THR A 49 9.132 2.878 -11.521 1.00 0.98 H new ATOM 0 HG23 THR A 49 8.437 3.186 -9.912 1.00 0.98 H new ATOM 734 N SER A 50 9.489 -1.443 -10.963 1.00 0.68 N ATOM 735 CA SER A 50 9.855 -2.833 -10.866 1.00 0.78 C ATOM 736 C SER A 50 10.585 -3.084 -9.537 1.00 0.72 C ATOM 737 O SER A 50 10.912 -4.217 -9.191 1.00 0.86 O ATOM 738 CB SER A 50 10.746 -3.193 -12.044 1.00 0.96 C ATOM 739 OG SER A 50 10.117 -2.817 -13.267 1.00 1.52 O ATOM 0 H SER A 50 10.172 -0.857 -11.442 1.00 0.68 H new ATOM 0 HA SER A 50 8.962 -3.458 -10.891 1.00 0.78 H new ATOM 0 HB2 SER A 50 11.707 -2.688 -11.950 1.00 0.96 H new ATOM 0 HB3 SER A 50 10.947 -4.264 -12.044 1.00 0.96 H new ATOM 0 HG SER A 50 10.699 -3.051 -14.020 1.00 1.52 H new ATOM 745 N PHE A 51 10.845 -2.012 -8.813 1.00 0.64 N ATOM 746 CA PHE A 51 11.523 -2.092 -7.532 1.00 0.68 C ATOM 747 C PHE A 51 10.521 -1.937 -6.406 1.00 0.55 C ATOM 748 O PHE A 51 10.645 -2.562 -5.357 1.00 0.61 O ATOM 749 CB PHE A 51 12.600 -1.000 -7.421 1.00 0.87 C ATOM 750 CG PHE A 51 13.712 -1.116 -8.428 1.00 1.08 C ATOM 751 CD1 PHE A 51 14.894 -1.749 -8.095 1.00 1.39 C ATOM 752 CD2 PHE A 51 13.576 -0.595 -9.705 1.00 1.16 C ATOM 753 CE1 PHE A 51 15.919 -1.863 -9.011 1.00 1.59 C ATOM 754 CE2 PHE A 51 14.597 -0.707 -10.624 1.00 1.37 C ATOM 755 CZ PHE A 51 15.770 -1.341 -10.277 1.00 1.52 C ATOM 0 H PHE A 51 10.594 -1.064 -9.094 1.00 0.64 H new ATOM 0 HA PHE A 51 12.004 -3.067 -7.456 1.00 0.68 H new ATOM 0 HB2 PHE A 51 12.125 -0.026 -7.534 1.00 0.87 H new ATOM 0 HB3 PHE A 51 13.029 -1.031 -6.419 1.00 0.87 H new ATOM 0 HD1 PHE A 51 15.017 -2.160 -7.104 1.00 1.39 H new ATOM 0 HD2 PHE A 51 12.660 -0.096 -9.983 1.00 1.16 H new ATOM 0 HE1 PHE A 51 16.837 -2.361 -8.736 1.00 1.59 H new ATOM 0 HE2 PHE A 51 14.478 -0.298 -11.616 1.00 1.37 H new ATOM 0 HZ PHE A 51 16.571 -1.429 -10.996 1.00 1.52 H new ATOM 765 N ILE A 52 9.534 -1.105 -6.640 1.00 0.46 N ATOM 766 CA ILE A 52 8.507 -0.806 -5.663 1.00 0.39 C ATOM 767 C ILE A 52 7.146 -1.017 -6.321 1.00 0.37 C ATOM 768 O ILE A 52 6.750 -0.216 -7.158 1.00 0.43 O ATOM 769 CB ILE A 52 8.615 0.688 -5.230 1.00 0.41 C ATOM 770 CG1 ILE A 52 10.033 1.010 -4.725 1.00 0.46 C ATOM 771 CG2 ILE A 52 7.576 1.015 -4.164 1.00 0.41 C ATOM 772 CD1 ILE A 52 10.262 2.467 -4.384 1.00 0.50 C ATOM 0 H ILE A 52 9.418 -0.609 -7.524 1.00 0.46 H new ATOM 0 HA ILE A 52 8.626 -1.451 -4.793 1.00 0.39 H new ATOM 0 HB ILE A 52 8.417 1.310 -6.103 1.00 0.41 H new ATOM 0 HG12 ILE A 52 10.236 0.407 -3.840 1.00 0.46 H new ATOM 0 HG13 ILE A 52 10.753 0.711 -5.487 1.00 0.46 H new ATOM 0 HG21 ILE A 52 7.668 2.062 -3.875 1.00 0.41 H new ATOM 0 HG22 ILE A 52 6.577 0.835 -4.562 1.00 0.41 H new ATOM 0 HG23 ILE A 52 7.739 0.382 -3.291 1.00 0.41 H new ATOM 0 HD11 ILE A 52 11.286 2.603 -4.037 1.00 0.50 H new ATOM 0 HD12 ILE A 52 10.095 3.079 -5.271 1.00 0.50 H new ATOM 0 HD13 ILE A 52 9.570 2.770 -3.598 1.00 0.50 H new ATOM 784 N PHE A 53 6.448 -2.074 -5.968 1.00 0.33 N ATOM 785 CA PHE A 53 5.166 -2.360 -6.586 1.00 0.37 C ATOM 786 C PHE A 53 4.160 -2.840 -5.529 1.00 0.31 C ATOM 787 O PHE A 53 4.519 -3.576 -4.599 1.00 0.29 O ATOM 788 CB PHE A 53 5.371 -3.415 -7.695 1.00 0.48 C ATOM 789 CG PHE A 53 4.163 -3.718 -8.539 1.00 1.06 C ATOM 790 CD1 PHE A 53 3.726 -2.819 -9.492 1.00 1.95 C ATOM 791 CD2 PHE A 53 3.460 -4.897 -8.365 1.00 1.15 C ATOM 792 CE1 PHE A 53 2.610 -3.086 -10.261 1.00 2.87 C ATOM 793 CE2 PHE A 53 2.344 -5.174 -9.131 1.00 2.02 C ATOM 794 CZ PHE A 53 1.945 -4.288 -10.111 1.00 2.89 C ATOM 0 H PHE A 53 6.742 -2.748 -5.261 1.00 0.33 H new ATOM 0 HA PHE A 53 4.757 -1.455 -7.035 1.00 0.37 H new ATOM 0 HB2 PHE A 53 6.173 -3.075 -8.350 1.00 0.48 H new ATOM 0 HB3 PHE A 53 5.709 -4.342 -7.231 1.00 0.48 H new ATOM 0 HD1 PHE A 53 4.264 -1.894 -9.638 1.00 1.95 H new ATOM 0 HD2 PHE A 53 3.787 -5.609 -7.622 1.00 1.15 H new ATOM 0 HE1 PHE A 53 2.258 -2.358 -10.977 1.00 2.87 H new ATOM 0 HE2 PHE A 53 1.785 -6.083 -8.963 1.00 2.02 H new ATOM 0 HZ PHE A 53 1.116 -4.533 -10.758 1.00 2.89 H new ATOM 804 N THR A 54 2.921 -2.398 -5.644 1.00 0.35 N ATOM 805 CA THR A 54 1.891 -2.790 -4.709 1.00 0.35 C ATOM 806 C THR A 54 1.271 -4.095 -5.185 1.00 0.35 C ATOM 807 O THR A 54 0.631 -4.134 -6.242 1.00 0.40 O ATOM 808 CB THR A 54 0.776 -1.723 -4.638 1.00 0.39 C ATOM 809 OG1 THR A 54 1.354 -0.417 -4.626 1.00 0.43 O ATOM 810 CG2 THR A 54 -0.049 -1.897 -3.380 1.00 0.44 C ATOM 0 H THR A 54 2.606 -1.765 -6.380 1.00 0.35 H new ATOM 0 HA THR A 54 2.341 -2.902 -3.722 1.00 0.35 H new ATOM 0 HB THR A 54 0.135 -1.843 -5.512 1.00 0.39 H new ATOM 0 HG1 THR A 54 1.720 -0.213 -5.512 1.00 0.43 H new ATOM 0 HG21 THR A 54 -0.829 -1.136 -3.348 1.00 0.44 H new ATOM 0 HG22 THR A 54 -0.507 -2.886 -3.379 1.00 0.44 H new ATOM 0 HG23 THR A 54 0.594 -1.794 -2.506 1.00 0.44 H new ATOM 818 N GLU A 55 1.459 -5.143 -4.441 1.00 0.36 N ATOM 819 CA GLU A 55 0.931 -6.418 -4.810 1.00 0.42 C ATOM 820 C GLU A 55 -0.271 -6.757 -3.940 1.00 0.44 C ATOM 821 O GLU A 55 -0.161 -6.901 -2.720 1.00 0.57 O ATOM 822 CB GLU A 55 2.020 -7.494 -4.745 1.00 0.60 C ATOM 823 CG GLU A 55 3.170 -7.221 -5.708 1.00 1.21 C ATOM 824 CD GLU A 55 4.211 -8.300 -5.716 1.00 1.38 C ATOM 825 OE1 GLU A 55 3.960 -9.376 -6.299 1.00 1.67 O ATOM 826 OE2 GLU A 55 5.305 -8.109 -5.164 1.00 2.04 O ATOM 0 H GLU A 55 1.981 -5.137 -3.565 1.00 0.36 H new ATOM 0 HA GLU A 55 0.587 -6.380 -5.843 1.00 0.42 H new ATOM 0 HB2 GLU A 55 2.408 -7.552 -3.728 1.00 0.60 H new ATOM 0 HB3 GLU A 55 1.581 -8.465 -4.975 1.00 0.60 H new ATOM 0 HG2 GLU A 55 2.770 -7.105 -6.715 1.00 1.21 H new ATOM 0 HG3 GLU A 55 3.641 -6.275 -5.441 1.00 1.21 H new ATOM 833 N PHE A 56 -1.408 -6.843 -4.569 1.00 0.52 N ATOM 834 CA PHE A 56 -2.663 -7.125 -3.902 1.00 0.62 C ATOM 835 C PHE A 56 -2.962 -8.593 -3.999 1.00 0.73 C ATOM 836 O PHE A 56 -2.539 -9.256 -4.954 1.00 0.87 O ATOM 837 CB PHE A 56 -3.818 -6.375 -4.583 1.00 0.68 C ATOM 838 CG PHE A 56 -3.725 -4.878 -4.564 1.00 0.63 C ATOM 839 CD1 PHE A 56 -4.394 -4.150 -3.601 1.00 0.69 C ATOM 840 CD2 PHE A 56 -2.988 -4.199 -5.523 1.00 0.61 C ATOM 841 CE1 PHE A 56 -4.330 -2.779 -3.590 1.00 0.69 C ATOM 842 CE2 PHE A 56 -2.918 -2.825 -5.513 1.00 0.59 C ATOM 843 CZ PHE A 56 -3.590 -2.111 -4.547 1.00 0.61 C ATOM 0 H PHE A 56 -1.499 -6.718 -5.577 1.00 0.52 H new ATOM 0 HA PHE A 56 -2.572 -6.808 -2.863 1.00 0.62 H new ATOM 0 HB2 PHE A 56 -3.878 -6.703 -5.621 1.00 0.68 H new ATOM 0 HB3 PHE A 56 -4.751 -6.668 -4.102 1.00 0.68 H new ATOM 0 HD1 PHE A 56 -4.974 -4.664 -2.849 1.00 0.69 H new ATOM 0 HD2 PHE A 56 -2.463 -4.755 -6.286 1.00 0.61 H new ATOM 0 HE1 PHE A 56 -4.859 -2.221 -2.832 1.00 0.69 H new ATOM 0 HE2 PHE A 56 -2.337 -2.308 -6.262 1.00 0.59 H new ATOM 0 HZ PHE A 56 -3.539 -1.032 -4.537 1.00 0.61 H new ATOM 853 N LEU A 57 -3.655 -9.110 -3.034 1.00 0.77 N ATOM 854 CA LEU A 57 -4.116 -10.456 -3.114 1.00 0.93 C ATOM 855 C LEU A 57 -5.599 -10.366 -3.364 1.00 1.04 C ATOM 856 O LEU A 57 -6.184 -9.283 -3.208 1.00 1.04 O ATOM 857 CB LEU A 57 -3.748 -11.275 -1.832 1.00 1.01 C ATOM 858 CG LEU A 57 -4.422 -10.923 -0.495 1.00 0.99 C ATOM 859 CD1 LEU A 57 -5.816 -11.529 -0.405 1.00 1.25 C ATOM 860 CD2 LEU A 57 -3.560 -11.382 0.670 1.00 1.16 C ATOM 0 H LEU A 57 -3.914 -8.617 -2.179 1.00 0.77 H new ATOM 0 HA LEU A 57 -3.631 -11.004 -3.922 1.00 0.93 H new ATOM 0 HB2 LEU A 57 -3.961 -12.323 -2.040 1.00 1.01 H new ATOM 0 HB3 LEU A 57 -2.671 -11.192 -1.688 1.00 1.01 H new ATOM 0 HG LEU A 57 -4.527 -9.839 -0.444 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -6.267 -11.263 0.551 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -6.433 -11.144 -1.217 1.00 1.25 H new ATOM 0 HD13 LEU A 57 -5.747 -12.614 -0.484 1.00 1.25 H new ATOM 0 HD21 LEU A 57 -4.051 -11.126 1.609 1.00 1.16 H new ATOM 0 HD22 LEU A 57 -3.421 -12.462 0.616 1.00 1.16 H new ATOM 0 HD23 LEU A 57 -2.589 -10.888 0.621 1.00 1.16 H new ATOM 872 N GLU A 58 -6.201 -11.435 -3.765 1.00 1.18 N ATOM 873 CA GLU A 58 -7.608 -11.424 -4.067 1.00 1.31 C ATOM 874 C GLU A 58 -8.386 -11.938 -2.875 1.00 1.24 C ATOM 875 O GLU A 58 -8.398 -13.145 -2.616 1.00 1.32 O ATOM 876 CB GLU A 58 -7.873 -12.287 -5.272 1.00 1.61 C ATOM 877 CG GLU A 58 -7.090 -11.857 -6.500 1.00 2.01 C ATOM 878 CD GLU A 58 -7.431 -12.663 -7.712 1.00 2.65 C ATOM 879 OE1 GLU A 58 -6.875 -13.758 -7.882 1.00 3.36 O ATOM 880 OE2 GLU A 58 -8.259 -12.217 -8.521 1.00 2.90 O ATOM 0 H GLU A 58 -5.744 -12.338 -3.894 1.00 1.18 H new ATOM 0 HA GLU A 58 -7.927 -10.405 -4.285 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -7.622 -13.320 -5.033 1.00 1.61 H new ATOM 0 HB3 GLU A 58 -8.938 -12.262 -5.501 1.00 1.61 H new ATOM 0 HG2 GLU A 58 -7.287 -10.804 -6.701 1.00 2.01 H new ATOM 0 HG3 GLU A 58 -6.023 -11.948 -6.296 1.00 2.01 H new ATOM 887 N PRO A 59 -9.040 -11.048 -2.131 1.00 1.21 N ATOM 888 CA PRO A 59 -9.757 -11.418 -0.939 1.00 1.25 C ATOM 889 C PRO A 59 -11.153 -11.912 -1.271 1.00 1.26 C ATOM 890 O PRO A 59 -11.645 -11.744 -2.403 1.00 1.35 O ATOM 891 CB PRO A 59 -9.821 -10.103 -0.163 1.00 1.37 C ATOM 892 CG PRO A 59 -9.866 -9.040 -1.207 1.00 1.39 C ATOM 893 CD PRO A 59 -9.176 -9.604 -2.424 1.00 1.30 C ATOM 0 HA PRO A 59 -9.282 -12.229 -0.387 1.00 1.25 H new ATOM 0 HB2 PRO A 59 -10.703 -10.065 0.477 1.00 1.37 H new ATOM 0 HB3 PRO A 59 -8.952 -9.984 0.484 1.00 1.37 H new ATOM 0 HG2 PRO A 59 -10.896 -8.766 -1.437 1.00 1.39 H new ATOM 0 HG3 PRO A 59 -9.365 -8.136 -0.861 1.00 1.39 H new ATOM 0 HD2 PRO A 59 -9.762 -9.435 -3.327 1.00 1.30 H new ATOM 0 HD3 PRO A 59 -8.204 -9.137 -2.582 1.00 1.30 H new ATOM 901 N ALA A 60 -11.761 -12.541 -0.309 1.00 1.29 N ATOM 902 CA ALA A 60 -13.099 -13.023 -0.434 1.00 1.40 C ATOM 903 C ALA A 60 -14.017 -11.832 -0.502 1.00 1.40 C ATOM 904 O ALA A 60 -13.857 -10.887 0.270 1.00 1.33 O ATOM 905 CB ALA A 60 -13.447 -13.881 0.768 1.00 1.53 C ATOM 0 H ALA A 60 -11.333 -12.735 0.596 1.00 1.29 H new ATOM 0 HA ALA A 60 -13.205 -13.630 -1.333 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -14.469 -14.247 0.670 1.00 1.53 H new ATOM 0 HB2 ALA A 60 -12.762 -14.727 0.822 1.00 1.53 H new ATOM 0 HB3 ALA A 60 -13.361 -13.286 1.677 1.00 1.53 H new ATOM 911 N ALA A 61 -14.996 -11.887 -1.400 1.00 1.55 N ATOM 912 CA ALA A 61 -15.921 -10.776 -1.642 1.00 1.65 C ATOM 913 C ALA A 61 -16.798 -10.486 -0.424 1.00 1.59 C ATOM 914 O ALA A 61 -17.513 -9.482 -0.382 1.00 1.70 O ATOM 915 CB ALA A 61 -16.775 -11.045 -2.871 1.00 1.91 C ATOM 0 H ALA A 61 -15.174 -12.704 -1.984 1.00 1.55 H new ATOM 0 HA ALA A 61 -15.319 -9.886 -1.825 1.00 1.65 H new ATOM 0 HB1 ALA A 61 -17.454 -10.208 -3.032 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -16.131 -11.163 -3.743 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -17.352 -11.957 -2.720 1.00 1.91 H new ATOM 921 N ASN A 62 -16.745 -11.373 0.545 1.00 1.52 N ATOM 922 CA ASN A 62 -17.424 -11.202 1.821 1.00 1.56 C ATOM 923 C ASN A 62 -16.752 -10.059 2.601 1.00 1.33 C ATOM 924 O ASN A 62 -17.366 -9.402 3.453 1.00 1.40 O ATOM 925 CB ASN A 62 -17.317 -12.491 2.627 1.00 1.82 C ATOM 926 CG ASN A 62 -18.022 -12.444 3.977 1.00 2.72 C ATOM 927 OD1 ASN A 62 -17.554 -13.035 4.935 1.00 3.49 O ATOM 928 ND2 ASN A 62 -19.156 -11.796 4.051 1.00 3.19 N ATOM 0 H ASN A 62 -16.224 -12.247 0.473 1.00 1.52 H new ATOM 0 HA ASN A 62 -18.474 -10.964 1.649 1.00 1.56 H new ATOM 0 HB2 ASN A 62 -17.735 -13.309 2.040 1.00 1.82 H new ATOM 0 HB3 ASN A 62 -16.263 -12.719 2.788 1.00 1.82 H new ATOM 0 HD21 ASN A 62 -19.675 -11.775 4.929 1.00 3.19 H new ATOM 0 HD22 ASN A 62 -19.521 -11.311 3.231 1.00 3.19 H new ATOM 935 N GLU A 63 -15.492 -9.837 2.306 1.00 1.20 N ATOM 936 CA GLU A 63 -14.740 -8.777 2.908 1.00 1.07 C ATOM 937 C GLU A 63 -14.711 -7.602 1.970 1.00 0.90 C ATOM 938 O GLU A 63 -14.598 -7.769 0.758 1.00 0.97 O ATOM 939 CB GLU A 63 -13.296 -9.201 3.184 1.00 1.16 C ATOM 940 CG GLU A 63 -13.122 -10.305 4.196 1.00 1.31 C ATOM 941 CD GLU A 63 -11.665 -10.504 4.539 1.00 1.42 C ATOM 942 OE1 GLU A 63 -11.126 -9.718 5.346 1.00 1.48 O ATOM 943 OE2 GLU A 63 -11.027 -11.436 4.008 1.00 1.89 O ATOM 0 H GLU A 63 -14.962 -10.395 1.636 1.00 1.20 H new ATOM 0 HA GLU A 63 -15.219 -8.519 3.853 1.00 1.07 H new ATOM 0 HB2 GLU A 63 -12.844 -9.519 2.245 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -12.739 -8.328 3.526 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -13.682 -10.065 5.100 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -13.536 -11.233 3.801 1.00 1.31 H new ATOM 950 N THR A 64 -14.833 -6.433 2.506 1.00 0.80 N ATOM 951 CA THR A 64 -14.701 -5.228 1.735 1.00 0.74 C ATOM 952 C THR A 64 -13.353 -4.589 2.041 1.00 0.59 C ATOM 953 O THR A 64 -13.187 -3.377 1.981 1.00 0.61 O ATOM 954 CB THR A 64 -15.844 -4.262 2.084 1.00 0.90 C ATOM 955 OG1 THR A 64 -15.986 -4.205 3.518 1.00 1.30 O ATOM 956 CG2 THR A 64 -17.154 -4.725 1.456 1.00 1.15 C ATOM 0 H THR A 64 -15.028 -6.279 3.495 1.00 0.80 H new ATOM 0 HA THR A 64 -14.756 -5.459 0.671 1.00 0.74 H new ATOM 0 HB THR A 64 -15.607 -3.273 1.691 1.00 0.90 H new ATOM 0 HG1 THR A 64 -16.464 -3.387 3.767 1.00 1.30 H new ATOM 0 HG21 THR A 64 -17.949 -4.026 1.716 1.00 1.15 H new ATOM 0 HG22 THR A 64 -17.045 -4.763 0.372 1.00 1.15 H new ATOM 0 HG23 THR A 64 -17.406 -5.717 1.830 1.00 1.15 H new ATOM 964 N VAL A 65 -12.395 -5.433 2.395 1.00 0.53 N ATOM 965 CA VAL A 65 -11.080 -4.986 2.769 1.00 0.45 C ATOM 966 C VAL A 65 -10.082 -5.453 1.738 1.00 0.42 C ATOM 967 O VAL A 65 -10.048 -6.638 1.390 1.00 0.49 O ATOM 968 CB VAL A 65 -10.641 -5.555 4.148 1.00 0.52 C ATOM 969 CG1 VAL A 65 -9.321 -4.951 4.596 1.00 0.50 C ATOM 970 CG2 VAL A 65 -11.708 -5.366 5.206 1.00 0.61 C ATOM 0 H VAL A 65 -12.517 -6.445 2.428 1.00 0.53 H new ATOM 0 HA VAL A 65 -11.112 -3.898 2.831 1.00 0.45 H new ATOM 0 HB VAL A 65 -10.499 -6.628 4.019 1.00 0.52 H new ATOM 0 HG11 VAL A 65 -9.040 -5.368 5.563 1.00 0.50 H new ATOM 0 HG12 VAL A 65 -8.548 -5.181 3.863 1.00 0.50 H new ATOM 0 HG13 VAL A 65 -9.427 -3.870 4.684 1.00 0.50 H new ATOM 0 HG21 VAL A 65 -11.359 -5.778 6.153 1.00 0.61 H new ATOM 0 HG22 VAL A 65 -11.916 -4.303 5.328 1.00 0.61 H new ATOM 0 HG23 VAL A 65 -12.619 -5.881 4.900 1.00 0.61 H new ATOM 980 N ARG A 66 -9.268 -4.549 1.274 1.00 0.37 N ATOM 981 CA ARG A 66 -8.225 -4.877 0.346 1.00 0.36 C ATOM 982 C ARG A 66 -7.055 -5.397 1.116 1.00 0.34 C ATOM 983 O ARG A 66 -6.493 -4.694 1.962 1.00 0.41 O ATOM 984 CB ARG A 66 -7.770 -3.669 -0.463 1.00 0.42 C ATOM 985 CG ARG A 66 -8.750 -3.157 -1.490 1.00 1.13 C ATOM 986 CD ARG A 66 -8.159 -1.966 -2.227 1.00 1.10 C ATOM 987 NE ARG A 66 -8.911 -1.627 -3.429 1.00 0.82 N ATOM 988 CZ ARG A 66 -8.408 -0.977 -4.492 1.00 1.15 C ATOM 989 NH1 ARG A 66 -7.241 -0.338 -4.396 1.00 1.61 N ATOM 990 NH2 ARG A 66 -9.078 -0.950 -5.628 1.00 1.84 N ATOM 0 H ARG A 66 -9.309 -3.562 1.529 1.00 0.37 H new ATOM 0 HA ARG A 66 -8.616 -5.619 -0.350 1.00 0.36 H new ATOM 0 HB2 ARG A 66 -7.541 -2.858 0.229 1.00 0.42 H new ATOM 0 HB3 ARG A 66 -6.841 -3.926 -0.972 1.00 0.42 H new ATOM 0 HG2 ARG A 66 -8.993 -3.949 -2.198 1.00 1.13 H new ATOM 0 HG3 ARG A 66 -9.681 -2.868 -1.003 1.00 1.13 H new ATOM 0 HD2 ARG A 66 -8.137 -1.104 -1.560 1.00 1.10 H new ATOM 0 HD3 ARG A 66 -7.126 -2.186 -2.498 1.00 1.10 H new ATOM 0 HE ARG A 66 -9.892 -1.904 -3.466 1.00 0.82 H new ATOM 0 HH11 ARG A 66 -6.728 -0.342 -3.514 1.00 1.61 H new ATOM 0 HH12 ARG A 66 -6.861 0.155 -5.204 1.00 1.61 H new ATOM 0 HH21 ARG A 66 -9.979 -1.423 -5.700 1.00 1.84 H new ATOM 0 HH22 ARG A 66 -8.695 -0.456 -6.434 1.00 1.84 H new ATOM 1004 N HIS A 67 -6.713 -6.617 0.869 1.00 0.35 N ATOM 1005 CA HIS A 67 -5.584 -7.208 1.517 1.00 0.39 C ATOM 1006 C HIS A 67 -4.447 -7.270 0.528 1.00 0.35 C ATOM 1007 O HIS A 67 -4.603 -7.801 -0.575 1.00 0.46 O ATOM 1008 CB HIS A 67 -5.913 -8.604 2.085 1.00 0.53 C ATOM 1009 CG HIS A 67 -6.940 -8.603 3.194 1.00 0.69 C ATOM 1010 ND1 HIS A 67 -6.624 -8.354 4.507 1.00 1.08 N ATOM 1011 CD2 HIS A 67 -8.280 -8.821 3.172 1.00 0.72 C ATOM 1012 CE1 HIS A 67 -7.711 -8.420 5.246 1.00 1.16 C ATOM 1013 NE2 HIS A 67 -8.736 -8.701 4.462 1.00 0.90 N ATOM 0 H HIS A 67 -7.202 -7.231 0.218 1.00 0.35 H new ATOM 0 HA HIS A 67 -5.297 -6.594 2.371 1.00 0.39 H new ATOM 0 HB2 HIS A 67 -6.273 -9.237 1.274 1.00 0.53 H new ATOM 0 HB3 HIS A 67 -4.994 -9.056 2.458 1.00 0.53 H new ATOM 0 HD2 HIS A 67 -8.877 -9.047 2.301 1.00 0.72 H new ATOM 0 HE1 HIS A 67 -7.757 -8.270 6.314 1.00 1.16 H new ATOM 0 HE2 HIS A 67 -9.704 -8.811 4.764 1.00 0.90 H new ATOM 1022 N GLY A 68 -3.337 -6.689 0.883 1.00 0.30 N ATOM 1023 CA GLY A 68 -2.216 -6.673 0.003 1.00 0.31 C ATOM 1024 C GLY A 68 -0.980 -6.201 0.702 1.00 0.24 C ATOM 1025 O GLY A 68 -1.007 -5.911 1.913 1.00 0.26 O ATOM 0 H GLY A 68 -3.189 -6.221 1.777 1.00 0.30 H new ATOM 0 HA2 GLY A 68 -2.050 -7.674 -0.396 1.00 0.31 H new ATOM 0 HA3 GLY A 68 -2.427 -6.022 -0.846 1.00 0.31 H new ATOM 1029 N CYS A 69 0.081 -6.094 -0.040 1.00 0.21 N ATOM 1030 CA CYS A 69 1.348 -5.694 0.487 1.00 0.20 C ATOM 1031 C CYS A 69 2.105 -4.841 -0.513 1.00 0.19 C ATOM 1032 O CYS A 69 2.081 -5.114 -1.718 1.00 0.22 O ATOM 1033 CB CYS A 69 2.172 -6.947 0.817 1.00 0.25 C ATOM 1034 SG CYS A 69 3.920 -6.625 1.214 1.00 0.36 S ATOM 0 H CYS A 69 0.090 -6.285 -1.042 1.00 0.21 H new ATOM 0 HA CYS A 69 1.183 -5.103 1.388 1.00 0.20 H new ATOM 0 HB2 CYS A 69 1.710 -7.457 1.662 1.00 0.25 H new ATOM 0 HB3 CYS A 69 2.126 -7.630 -0.032 1.00 0.25 H new ATOM 1039 N LEU A 70 2.728 -3.790 -0.036 1.00 0.20 N ATOM 1040 CA LEU A 70 3.644 -3.049 -0.851 1.00 0.22 C ATOM 1041 C LEU A 70 4.945 -3.779 -0.723 1.00 0.23 C ATOM 1042 O LEU A 70 5.635 -3.678 0.306 1.00 0.24 O ATOM 1043 CB LEU A 70 3.808 -1.603 -0.378 1.00 0.24 C ATOM 1044 CG LEU A 70 4.784 -0.741 -1.199 1.00 0.25 C ATOM 1045 CD1 LEU A 70 4.279 -0.541 -2.611 1.00 0.26 C ATOM 1046 CD2 LEU A 70 5.027 0.596 -0.533 1.00 0.28 C ATOM 0 H LEU A 70 2.614 -3.433 0.913 1.00 0.20 H new ATOM 0 HA LEU A 70 3.285 -2.985 -1.878 1.00 0.22 H new ATOM 0 HB2 LEU A 70 2.830 -1.123 -0.389 1.00 0.24 H new ATOM 0 HB3 LEU A 70 4.145 -1.615 0.658 1.00 0.24 H new ATOM 0 HG LEU A 70 5.732 -1.276 -1.246 1.00 0.25 H new ATOM 0 HD11 LEU A 70 4.988 0.071 -3.168 1.00 0.26 H new ATOM 0 HD12 LEU A 70 4.173 -1.509 -3.100 1.00 0.26 H new ATOM 0 HD13 LEU A 70 3.311 -0.041 -2.584 1.00 0.26 H new ATOM 0 HD21 LEU A 70 5.720 1.182 -1.136 1.00 0.28 H new ATOM 0 HD22 LEU A 70 4.083 1.133 -0.440 1.00 0.28 H new ATOM 0 HD23 LEU A 70 5.453 0.437 0.458 1.00 0.28 H new ATOM 1058 N ARG A 71 5.250 -4.557 -1.691 1.00 0.30 N ATOM 1059 CA ARG A 71 6.389 -5.378 -1.608 1.00 0.35 C ATOM 1060 C ARG A 71 7.484 -4.817 -2.444 1.00 0.36 C ATOM 1061 O ARG A 71 7.321 -4.594 -3.641 1.00 0.42 O ATOM 1062 CB ARG A 71 6.050 -6.835 -1.969 1.00 0.51 C ATOM 1063 CG ARG A 71 7.235 -7.792 -1.898 1.00 1.20 C ATOM 1064 CD ARG A 71 6.787 -9.249 -1.900 1.00 1.20 C ATOM 1065 NE ARG A 71 6.014 -9.623 -3.083 1.00 1.43 N ATOM 1066 CZ ARG A 71 5.526 -10.850 -3.322 1.00 1.80 C ATOM 1067 NH1 ARG A 71 5.710 -11.831 -2.456 1.00 1.98 N ATOM 1068 NH2 ARG A 71 4.854 -11.087 -4.420 1.00 2.68 N ATOM 0 H ARG A 71 4.719 -4.641 -2.558 1.00 0.30 H new ATOM 0 HA ARG A 71 6.743 -5.395 -0.577 1.00 0.35 H new ATOM 0 HB2 ARG A 71 5.270 -7.191 -1.297 1.00 0.51 H new ATOM 0 HB3 ARG A 71 5.638 -6.860 -2.978 1.00 0.51 H new ATOM 0 HG2 ARG A 71 7.897 -7.614 -2.745 1.00 1.20 H new ATOM 0 HG3 ARG A 71 7.812 -7.590 -0.995 1.00 1.20 H new ATOM 0 HD2 ARG A 71 7.666 -9.890 -1.833 1.00 1.20 H new ATOM 0 HD3 ARG A 71 6.187 -9.437 -1.010 1.00 1.20 H new ATOM 0 HE ARG A 71 5.832 -8.898 -3.778 1.00 1.43 H new ATOM 0 HH11 ARG A 71 6.228 -11.660 -1.594 1.00 1.98 H new ATOM 0 HH12 ARG A 71 5.334 -12.759 -2.649 1.00 1.98 H new ATOM 0 HH21 ARG A 71 4.701 -10.338 -5.096 1.00 2.68 H new ATOM 0 HH22 ARG A 71 4.484 -12.020 -4.600 1.00 2.68 H new ATOM 1082 N LEU A 72 8.572 -4.518 -1.799 1.00 0.37 N ATOM 1083 CA LEU A 72 9.718 -4.042 -2.477 1.00 0.42 C ATOM 1084 C LEU A 72 10.340 -5.239 -3.151 1.00 0.44 C ATOM 1085 O LEU A 72 10.889 -6.136 -2.491 1.00 0.49 O ATOM 1086 CB LEU A 72 10.637 -3.363 -1.455 1.00 0.50 C ATOM 1087 CG LEU A 72 9.967 -2.171 -0.730 1.00 0.70 C ATOM 1088 CD1 LEU A 72 10.806 -1.645 0.409 1.00 1.23 C ATOM 1089 CD2 LEU A 72 9.683 -1.057 -1.705 1.00 0.61 C ATOM 0 H LEU A 72 8.680 -4.601 -0.788 1.00 0.37 H new ATOM 0 HA LEU A 72 9.499 -3.293 -3.238 1.00 0.42 H new ATOM 0 HB2 LEU A 72 10.953 -4.099 -0.715 1.00 0.50 H new ATOM 0 HB3 LEU A 72 11.537 -3.013 -1.961 1.00 0.50 H new ATOM 0 HG LEU A 72 9.032 -2.542 -0.309 1.00 0.70 H new ATOM 0 HD11 LEU A 72 10.292 -0.810 0.884 1.00 1.23 H new ATOM 0 HD12 LEU A 72 10.964 -2.437 1.140 1.00 1.23 H new ATOM 0 HD13 LEU A 72 11.769 -1.307 0.026 1.00 1.23 H new ATOM 0 HD21 LEU A 72 9.212 -0.226 -1.181 1.00 0.61 H new ATOM 0 HD22 LEU A 72 10.617 -0.720 -2.154 1.00 0.61 H new ATOM 0 HD23 LEU A 72 9.014 -1.419 -2.486 1.00 0.61 H new ATOM 1101 N ASN A 73 10.199 -5.254 -4.462 1.00 0.56 N ATOM 1102 CA ASN A 73 10.557 -6.382 -5.307 1.00 0.72 C ATOM 1103 C ASN A 73 12.039 -6.572 -5.283 1.00 0.73 C ATOM 1104 O ASN A 73 12.546 -7.682 -5.072 1.00 0.87 O ATOM 1105 CB ASN A 73 10.094 -6.142 -6.753 1.00 0.90 C ATOM 1106 CG ASN A 73 8.666 -5.630 -6.855 1.00 1.41 C ATOM 1107 OD1 ASN A 73 8.438 -4.424 -6.857 1.00 2.18 O ATOM 1108 ND2 ASN A 73 7.710 -6.515 -6.933 1.00 1.84 N ATOM 0 H ASN A 73 9.823 -4.463 -4.985 1.00 0.56 H new ATOM 0 HA ASN A 73 10.063 -7.276 -4.925 1.00 0.72 H new ATOM 0 HB2 ASN A 73 10.764 -5.424 -7.226 1.00 0.90 H new ATOM 0 HB3 ASN A 73 10.179 -7.074 -7.313 1.00 0.90 H new ATOM 0 HD21 ASN A 73 6.738 -6.212 -6.998 1.00 1.84 H new ATOM 0 HD22 ASN A 73 7.935 -7.510 -6.929 1.00 1.84 H new ATOM 1115 N GLN A 74 12.736 -5.501 -5.492 1.00 0.66 N ATOM 1116 CA GLN A 74 14.148 -5.502 -5.411 1.00 0.72 C ATOM 1117 C GLN A 74 14.473 -4.320 -4.515 1.00 0.66 C ATOM 1118 O GLN A 74 14.418 -3.170 -4.963 1.00 0.69 O ATOM 1119 CB GLN A 74 14.753 -5.295 -6.820 1.00 0.86 C ATOM 1120 CG GLN A 74 16.135 -5.931 -7.047 1.00 1.58 C ATOM 1121 CD GLN A 74 17.167 -5.570 -6.001 1.00 2.11 C ATOM 1122 OE1 GLN A 74 17.309 -6.263 -4.997 1.00 2.82 O ATOM 1123 NE2 GLN A 74 17.911 -4.524 -6.224 1.00 2.58 N ATOM 0 H GLN A 74 12.329 -4.595 -5.726 1.00 0.66 H new ATOM 0 HA GLN A 74 14.551 -6.438 -5.024 1.00 0.72 H new ATOM 0 HB2 GLN A 74 14.060 -5.701 -7.557 1.00 0.86 H new ATOM 0 HB3 GLN A 74 14.829 -4.224 -7.010 1.00 0.86 H new ATOM 0 HG2 GLN A 74 16.023 -7.015 -7.071 1.00 1.58 H new ATOM 0 HG3 GLN A 74 16.505 -5.627 -8.026 1.00 1.58 H new ATOM 0 HE21 GLN A 74 17.769 -3.968 -7.067 1.00 2.58 H new ATOM 0 HE22 GLN A 74 18.635 -4.261 -5.555 1.00 2.58 H new ATOM 1132 N PRO A 75 14.748 -4.571 -3.233 1.00 0.75 N ATOM 1133 CA PRO A 75 15.050 -3.513 -2.278 1.00 0.84 C ATOM 1134 C PRO A 75 16.334 -2.777 -2.639 1.00 0.81 C ATOM 1135 O PRO A 75 17.377 -3.389 -2.893 1.00 0.83 O ATOM 1136 CB PRO A 75 15.206 -4.256 -0.949 1.00 1.06 C ATOM 1137 CG PRO A 75 14.506 -5.544 -1.160 1.00 1.25 C ATOM 1138 CD PRO A 75 14.737 -5.892 -2.592 1.00 0.93 C ATOM 0 HA PRO A 75 14.275 -2.747 -2.253 1.00 0.84 H new ATOM 0 HB2 PRO A 75 16.256 -4.411 -0.702 1.00 1.06 H new ATOM 0 HB3 PRO A 75 14.764 -3.694 -0.126 1.00 1.06 H new ATOM 0 HG2 PRO A 75 14.899 -6.317 -0.500 1.00 1.25 H new ATOM 0 HG3 PRO A 75 13.441 -5.452 -0.945 1.00 1.25 H new ATOM 0 HD2 PRO A 75 15.678 -6.422 -2.736 1.00 0.93 H new ATOM 0 HD3 PRO A 75 13.948 -6.531 -2.988 1.00 0.93 H new ATOM 1146 N THR A 76 16.252 -1.486 -2.654 1.00 0.86 N ATOM 1147 CA THR A 76 17.346 -0.643 -3.019 1.00 0.90 C ATOM 1148 C THR A 76 17.450 0.504 -2.030 1.00 0.84 C ATOM 1149 O THR A 76 16.555 0.744 -1.236 1.00 0.79 O ATOM 1150 CB THR A 76 17.125 -0.089 -4.445 1.00 1.07 C ATOM 1151 OG1 THR A 76 15.759 0.313 -4.591 1.00 1.17 O ATOM 1152 CG2 THR A 76 17.485 -1.116 -5.509 1.00 1.22 C ATOM 0 H THR A 76 15.404 -0.976 -2.407 1.00 0.86 H new ATOM 0 HA THR A 76 18.271 -1.220 -3.002 1.00 0.90 H new ATOM 0 HB THR A 76 17.781 0.770 -4.584 1.00 1.07 H new ATOM 0 HG1 THR A 76 15.617 0.666 -5.494 1.00 1.17 H new ATOM 0 HG21 THR A 76 17.316 -0.690 -6.498 1.00 1.22 H new ATOM 0 HG22 THR A 76 18.534 -1.393 -5.407 1.00 1.22 H new ATOM 0 HG23 THR A 76 16.862 -2.002 -5.385 1.00 1.22 H new ATOM 1160 N HIS A 77 18.569 1.189 -2.072 1.00 0.92 N ATOM 1161 CA HIS A 77 18.880 2.297 -1.172 1.00 0.94 C ATOM 1162 C HIS A 77 17.958 3.499 -1.263 1.00 0.81 C ATOM 1163 O HIS A 77 18.084 4.416 -0.483 1.00 0.85 O ATOM 1164 CB HIS A 77 20.369 2.693 -1.191 1.00 1.20 C ATOM 1165 CG HIS A 77 20.938 3.124 -2.518 1.00 1.36 C ATOM 1166 ND1 HIS A 77 21.393 2.233 -3.462 1.00 1.98 N ATOM 1167 CD2 HIS A 77 21.166 4.351 -3.031 1.00 1.62 C ATOM 1168 CE1 HIS A 77 21.880 2.887 -4.490 1.00 2.03 C ATOM 1169 NE2 HIS A 77 21.754 4.176 -4.255 1.00 1.72 N ATOM 0 H HIS A 77 19.311 0.994 -2.744 1.00 0.92 H new ATOM 0 HA HIS A 77 18.671 1.881 -0.186 1.00 0.94 H new ATOM 0 HB2 HIS A 77 20.514 3.505 -0.479 1.00 1.20 H new ATOM 0 HB3 HIS A 77 20.951 1.845 -0.830 1.00 1.20 H new ATOM 0 HD2 HIS A 77 20.929 5.295 -2.563 1.00 1.62 H new ATOM 0 HE1 HIS A 77 22.310 2.444 -5.376 1.00 2.03 H new ATOM 0 HE2 HIS A 77 22.047 4.924 -4.883 1.00 1.72 H new ATOM 1178 N VAL A 78 17.042 3.486 -2.197 1.00 0.83 N ATOM 1179 CA VAL A 78 16.057 4.547 -2.305 1.00 0.92 C ATOM 1180 C VAL A 78 14.870 4.254 -1.372 1.00 0.90 C ATOM 1181 O VAL A 78 14.034 5.112 -1.127 1.00 1.08 O ATOM 1182 CB VAL A 78 15.548 4.741 -3.764 1.00 1.15 C ATOM 1183 CG1 VAL A 78 16.691 5.116 -4.694 1.00 1.33 C ATOM 1184 CG2 VAL A 78 14.829 3.496 -4.275 1.00 1.14 C ATOM 0 H VAL A 78 16.952 2.752 -2.899 1.00 0.83 H new ATOM 0 HA VAL A 78 16.546 5.474 -2.007 1.00 0.92 H new ATOM 0 HB VAL A 78 14.830 5.561 -3.753 1.00 1.15 H new ATOM 0 HG11 VAL A 78 16.309 5.246 -5.706 1.00 1.33 H new ATOM 0 HG12 VAL A 78 17.145 6.047 -4.355 1.00 1.33 H new ATOM 0 HG13 VAL A 78 17.440 4.324 -4.688 1.00 1.33 H new ATOM 0 HG21 VAL A 78 14.487 3.667 -5.296 1.00 1.14 H new ATOM 0 HG22 VAL A 78 15.514 2.648 -4.258 1.00 1.14 H new ATOM 0 HG23 VAL A 78 13.972 3.283 -3.636 1.00 1.14 H new ATOM 1194 N ASN A 79 14.848 3.042 -0.826 1.00 0.78 N ATOM 1195 CA ASN A 79 13.747 2.536 0.012 1.00 0.90 C ATOM 1196 C ASN A 79 13.798 3.011 1.463 1.00 0.78 C ATOM 1197 O ASN A 79 13.298 2.332 2.361 1.00 0.96 O ATOM 1198 CB ASN A 79 13.682 0.996 -0.030 1.00 1.13 C ATOM 1199 CG ASN A 79 13.280 0.432 -1.386 1.00 1.40 C ATOM 1200 OD1 ASN A 79 13.743 -0.632 -1.788 1.00 2.19 O ATOM 1201 ND2 ASN A 79 12.386 1.095 -2.072 1.00 1.22 N ATOM 0 H ASN A 79 15.603 2.367 -0.951 1.00 0.78 H new ATOM 0 HA ASN A 79 12.841 2.958 -0.422 1.00 0.90 H new ATOM 0 HB2 ASN A 79 14.657 0.593 0.245 1.00 1.13 H new ATOM 0 HB3 ASN A 79 12.971 0.652 0.721 1.00 1.13 H new ATOM 0 HD21 ASN A 79 12.056 0.731 -2.966 1.00 1.22 H new ATOM 0 HD22 ASN A 79 12.019 1.977 -1.714 1.00 1.22 H new ATOM 1208 N ASN A 80 14.391 4.143 1.702 1.00 0.64 N ATOM 1209 CA ASN A 80 14.426 4.679 3.040 1.00 0.59 C ATOM 1210 C ASN A 80 13.638 5.968 3.056 1.00 0.56 C ATOM 1211 O ASN A 80 13.864 6.846 2.219 1.00 0.88 O ATOM 1212 CB ASN A 80 15.877 4.896 3.567 1.00 0.72 C ATOM 1213 CG ASN A 80 16.635 6.052 2.916 1.00 1.05 C ATOM 1214 OD1 ASN A 80 16.579 7.181 3.387 1.00 1.96 O ATOM 1215 ND2 ASN A 80 17.351 5.784 1.853 1.00 1.43 N ATOM 0 H ASN A 80 14.856 4.714 0.996 1.00 0.64 H new ATOM 0 HA ASN A 80 13.976 3.953 3.717 1.00 0.59 H new ATOM 0 HB2 ASN A 80 15.835 5.069 4.642 1.00 0.72 H new ATOM 0 HB3 ASN A 80 16.444 3.978 3.414 1.00 0.72 H new ATOM 0 HD21 ASN A 80 17.881 6.525 1.395 1.00 1.43 H new ATOM 0 HD22 ASN A 80 17.379 4.834 1.483 1.00 1.43 H new ATOM 1222 N GLY A 81 12.672 6.059 3.932 1.00 0.46 N ATOM 1223 CA GLY A 81 11.885 7.259 4.019 1.00 0.49 C ATOM 1224 C GLY A 81 10.501 6.981 4.535 1.00 0.43 C ATOM 1225 O GLY A 81 10.235 5.892 5.071 1.00 0.40 O ATOM 0 H GLY A 81 12.413 5.323 4.590 1.00 0.46 H new ATOM 0 HA2 GLY A 81 12.382 7.973 4.676 1.00 0.49 H new ATOM 0 HA3 GLY A 81 11.820 7.723 3.035 1.00 0.49 H new ATOM 1229 N ASN A 82 9.622 7.936 4.382 1.00 0.45 N ATOM 1230 CA ASN A 82 8.266 7.814 4.876 1.00 0.44 C ATOM 1231 C ASN A 82 7.328 7.433 3.737 1.00 0.37 C ATOM 1232 O ASN A 82 7.271 8.126 2.708 1.00 0.46 O ATOM 1233 CB ASN A 82 7.796 9.136 5.498 1.00 0.56 C ATOM 1234 CG ASN A 82 6.415 9.033 6.141 1.00 1.27 C ATOM 1235 OD1 ASN A 82 5.393 9.183 5.481 1.00 2.23 O ATOM 1236 ND2 ASN A 82 6.376 8.806 7.432 1.00 1.65 N ATOM 0 H ASN A 82 9.820 8.820 3.913 1.00 0.45 H new ATOM 0 HA ASN A 82 8.250 7.036 5.640 1.00 0.44 H new ATOM 0 HB2 ASN A 82 8.518 9.455 6.250 1.00 0.56 H new ATOM 0 HB3 ASN A 82 7.776 9.907 4.728 1.00 0.56 H new ATOM 0 HD21 ASN A 82 5.478 8.750 7.913 1.00 1.65 H new ATOM 0 HD22 ASN A 82 7.243 8.685 7.955 1.00 1.65 H new ATOM 1243 N TYR A 83 6.619 6.345 3.914 1.00 0.29 N ATOM 1244 CA TYR A 83 5.666 5.855 2.943 1.00 0.27 C ATOM 1245 C TYR A 83 4.255 6.209 3.421 1.00 0.28 C ATOM 1246 O TYR A 83 3.748 5.614 4.380 1.00 0.47 O ATOM 1247 CB TYR A 83 5.789 4.311 2.788 1.00 0.34 C ATOM 1248 CG TYR A 83 7.125 3.799 2.239 1.00 0.38 C ATOM 1249 CD1 TYR A 83 7.212 3.255 0.961 1.00 0.60 C ATOM 1250 CD2 TYR A 83 8.294 3.857 2.996 1.00 0.49 C ATOM 1251 CE1 TYR A 83 8.407 2.792 0.458 1.00 0.69 C ATOM 1252 CE2 TYR A 83 9.492 3.396 2.495 1.00 0.55 C ATOM 1253 CZ TYR A 83 9.542 2.865 1.226 1.00 0.60 C ATOM 1254 OH TYR A 83 10.732 2.406 0.724 1.00 0.69 O ATOM 0 H TYR A 83 6.688 5.764 4.750 1.00 0.29 H new ATOM 0 HA TYR A 83 5.867 6.316 1.976 1.00 0.27 H new ATOM 0 HB2 TYR A 83 5.619 3.853 3.762 1.00 0.34 H new ATOM 0 HB3 TYR A 83 4.991 3.966 2.130 1.00 0.34 H new ATOM 0 HD1 TYR A 83 6.323 3.195 0.351 1.00 0.60 H new ATOM 0 HD2 TYR A 83 8.260 4.271 3.993 1.00 0.49 H new ATOM 0 HE1 TYR A 83 8.451 2.373 -0.537 1.00 0.69 H new ATOM 0 HE2 TYR A 83 10.388 3.451 3.095 1.00 0.55 H new ATOM 0 HH TYR A 83 11.299 2.095 1.460 1.00 0.69 H new ATOM 1264 N THR A 84 3.657 7.181 2.794 1.00 0.22 N ATOM 1265 CA THR A 84 2.320 7.605 3.116 1.00 0.23 C ATOM 1266 C THR A 84 1.337 6.940 2.140 1.00 0.22 C ATOM 1267 O THR A 84 1.547 6.973 0.925 1.00 0.26 O ATOM 1268 CB THR A 84 2.204 9.142 2.980 1.00 0.27 C ATOM 1269 OG1 THR A 84 3.252 9.788 3.738 1.00 0.34 O ATOM 1270 CG2 THR A 84 0.845 9.649 3.460 1.00 0.33 C ATOM 0 H THR A 84 4.087 7.709 2.035 1.00 0.22 H new ATOM 0 HA THR A 84 2.088 7.317 4.141 1.00 0.23 H new ATOM 0 HB THR A 84 2.306 9.387 1.923 1.00 0.27 H new ATOM 0 HG1 THR A 84 3.712 9.123 4.292 1.00 0.34 H new ATOM 0 HG21 THR A 84 0.801 10.732 3.349 1.00 0.33 H new ATOM 0 HG22 THR A 84 0.055 9.191 2.865 1.00 0.33 H new ATOM 0 HG23 THR A 84 0.708 9.386 4.509 1.00 0.33 H new ATOM 1278 N LEU A 85 0.308 6.330 2.660 1.00 0.20 N ATOM 1279 CA LEU A 85 -0.688 5.688 1.845 1.00 0.19 C ATOM 1280 C LEU A 85 -1.976 6.484 1.896 1.00 0.18 C ATOM 1281 O LEU A 85 -2.526 6.723 2.980 1.00 0.19 O ATOM 1282 CB LEU A 85 -0.932 4.242 2.306 1.00 0.20 C ATOM 1283 CG LEU A 85 -1.938 3.427 1.485 1.00 0.20 C ATOM 1284 CD1 LEU A 85 -1.496 3.345 0.060 1.00 0.21 C ATOM 1285 CD2 LEU A 85 -2.092 2.036 2.048 1.00 0.22 C ATOM 0 H LEU A 85 0.135 6.263 3.663 1.00 0.20 H new ATOM 0 HA LEU A 85 -0.327 5.652 0.817 1.00 0.19 H new ATOM 0 HB2 LEU A 85 0.022 3.715 2.298 1.00 0.20 H new ATOM 0 HB3 LEU A 85 -1.275 4.266 3.340 1.00 0.20 H new ATOM 0 HG LEU A 85 -2.902 3.932 1.536 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -2.219 2.764 -0.512 1.00 0.21 H new ATOM 0 HD12 LEU A 85 -1.426 4.349 -0.358 1.00 0.21 H new ATOM 0 HD13 LEU A 85 -0.520 2.862 0.009 1.00 0.21 H new ATOM 0 HD21 LEU A 85 -2.811 1.478 1.448 1.00 0.22 H new ATOM 0 HD22 LEU A 85 -1.129 1.526 2.027 1.00 0.22 H new ATOM 0 HD23 LEU A 85 -2.448 2.097 3.076 1.00 0.22 H new ATOM 1297 N LEU A 86 -2.415 6.926 0.749 1.00 0.20 N ATOM 1298 CA LEU A 86 -3.653 7.663 0.609 1.00 0.22 C ATOM 1299 C LEU A 86 -4.675 6.756 -0.052 1.00 0.22 C ATOM 1300 O LEU A 86 -4.333 6.010 -0.967 1.00 0.27 O ATOM 1301 CB LEU A 86 -3.485 8.925 -0.295 1.00 0.28 C ATOM 1302 CG LEU A 86 -2.504 10.047 0.133 1.00 0.32 C ATOM 1303 CD1 LEU A 86 -2.786 10.548 1.532 1.00 0.36 C ATOM 1304 CD2 LEU A 86 -1.048 9.643 -0.037 1.00 0.32 C ATOM 0 H LEU A 86 -1.919 6.785 -0.131 1.00 0.20 H new ATOM 0 HA LEU A 86 -3.966 7.986 1.602 1.00 0.22 H new ATOM 0 HB2 LEU A 86 -3.176 8.581 -1.282 1.00 0.28 H new ATOM 0 HB3 LEU A 86 -4.470 9.378 -0.409 1.00 0.28 H new ATOM 0 HG LEU A 86 -2.679 10.880 -0.547 1.00 0.32 H new ATOM 0 HD11 LEU A 86 -2.074 11.333 1.788 1.00 0.36 H new ATOM 0 HD12 LEU A 86 -3.799 10.948 1.578 1.00 0.36 H new ATOM 0 HD13 LEU A 86 -2.689 9.725 2.240 1.00 0.36 H new ATOM 0 HD21 LEU A 86 -0.404 10.464 0.277 1.00 0.32 H new ATOM 0 HD22 LEU A 86 -0.840 8.765 0.574 1.00 0.32 H new ATOM 0 HD23 LEU A 86 -0.855 9.410 -1.084 1.00 0.32 H new ATOM 1316 N ALA A 87 -5.896 6.796 0.412 1.00 0.21 N ATOM 1317 CA ALA A 87 -6.967 6.047 -0.216 1.00 0.23 C ATOM 1318 C ALA A 87 -8.086 7.000 -0.535 1.00 0.29 C ATOM 1319 O ALA A 87 -8.624 7.650 0.368 1.00 0.31 O ATOM 1320 CB ALA A 87 -7.467 4.937 0.704 1.00 0.24 C ATOM 0 H ALA A 87 -6.181 7.340 1.226 1.00 0.21 H new ATOM 0 HA ALA A 87 -6.598 5.579 -1.129 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -8.270 4.390 0.211 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -6.648 4.254 0.929 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -7.841 5.373 1.630 1.00 0.24 H new ATOM 1326 N ALA A 88 -8.434 7.099 -1.792 1.00 0.36 N ATOM 1327 CA ALA A 88 -9.485 8.001 -2.204 1.00 0.45 C ATOM 1328 C ALA A 88 -10.805 7.262 -2.364 1.00 0.37 C ATOM 1329 O ALA A 88 -10.971 6.433 -3.261 1.00 0.37 O ATOM 1330 CB ALA A 88 -9.099 8.721 -3.481 1.00 0.61 C ATOM 0 H ALA A 88 -8.007 6.567 -2.550 1.00 0.36 H new ATOM 0 HA ALA A 88 -9.620 8.750 -1.423 1.00 0.45 H new ATOM 0 HB1 ALA A 88 -9.903 9.396 -3.776 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -8.187 9.294 -3.314 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -8.929 7.992 -4.273 1.00 0.61 H new ATOM 1336 N ASN A 89 -11.720 7.578 -1.499 1.00 0.49 N ATOM 1337 CA ASN A 89 -13.049 6.982 -1.440 1.00 0.58 C ATOM 1338 C ASN A 89 -14.031 8.144 -1.367 1.00 0.57 C ATOM 1339 O ASN A 89 -13.721 9.158 -0.764 1.00 0.55 O ATOM 1340 CB ASN A 89 -13.111 6.084 -0.145 1.00 0.86 C ATOM 1341 CG ASN A 89 -14.479 5.447 0.208 1.00 0.59 C ATOM 1342 OD1 ASN A 89 -15.528 6.018 -0.005 1.00 0.71 O ATOM 1343 ND2 ASN A 89 -14.454 4.254 0.759 1.00 1.18 N ATOM 0 H ASN A 89 -11.570 8.285 -0.780 1.00 0.49 H new ATOM 0 HA ASN A 89 -13.285 6.356 -2.301 1.00 0.58 H new ATOM 0 HB2 ASN A 89 -12.382 5.281 -0.255 1.00 0.86 H new ATOM 0 HB3 ASN A 89 -12.791 6.690 0.703 1.00 0.86 H new ATOM 0 HD21 ASN A 89 -15.327 3.792 1.015 1.00 1.18 H new ATOM 0 HD22 ASN A 89 -13.562 3.790 0.930 1.00 1.18 H new ATOM 1350 N PRO A 90 -15.195 8.046 -2.065 1.00 0.64 N ATOM 1351 CA PRO A 90 -16.266 9.083 -2.052 1.00 0.68 C ATOM 1352 C PRO A 90 -16.738 9.477 -0.639 1.00 0.56 C ATOM 1353 O PRO A 90 -17.357 10.522 -0.455 1.00 0.63 O ATOM 1354 CB PRO A 90 -17.409 8.414 -2.813 1.00 0.81 C ATOM 1355 CG PRO A 90 -16.737 7.463 -3.732 1.00 1.00 C ATOM 1356 CD PRO A 90 -15.545 6.937 -2.984 1.00 0.74 C ATOM 0 HA PRO A 90 -15.909 10.016 -2.488 1.00 0.68 H new ATOM 0 HB2 PRO A 90 -18.089 7.898 -2.135 1.00 0.81 H new ATOM 0 HB3 PRO A 90 -18.002 9.145 -3.363 1.00 0.81 H new ATOM 0 HG2 PRO A 90 -17.409 6.653 -4.015 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -16.432 7.960 -4.653 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -15.784 6.024 -2.438 1.00 0.74 H new ATOM 0 HD3 PRO A 90 -14.722 6.699 -3.658 1.00 0.74 H new ATOM 1364 N CYS A 91 -16.475 8.632 0.331 1.00 0.50 N ATOM 1365 CA CYS A 91 -16.793 8.916 1.716 1.00 0.50 C ATOM 1366 C CYS A 91 -15.745 9.858 2.329 1.00 0.46 C ATOM 1367 O CYS A 91 -16.034 10.595 3.280 1.00 0.61 O ATOM 1368 CB CYS A 91 -16.875 7.610 2.521 1.00 0.61 C ATOM 1369 SG CYS A 91 -17.142 7.829 4.317 1.00 1.10 S ATOM 0 H CYS A 91 -16.033 7.725 0.184 1.00 0.50 H new ATOM 0 HA CYS A 91 -17.763 9.411 1.754 1.00 0.50 H new ATOM 0 HB2 CYS A 91 -17.686 7.003 2.119 1.00 0.61 H new ATOM 0 HB3 CYS A 91 -15.952 7.049 2.371 1.00 0.61 H new ATOM 1374 N GLY A 92 -14.552 9.855 1.762 1.00 0.46 N ATOM 1375 CA GLY A 92 -13.467 10.664 2.258 1.00 0.58 C ATOM 1376 C GLY A 92 -12.133 10.027 1.925 1.00 0.49 C ATOM 1377 O GLY A 92 -12.080 8.841 1.563 1.00 0.59 O ATOM 0 H GLY A 92 -14.314 9.291 0.946 1.00 0.46 H new ATOM 0 HA2 GLY A 92 -13.520 11.661 1.820 1.00 0.58 H new ATOM 0 HA3 GLY A 92 -13.560 10.784 3.337 1.00 0.58 H new ATOM 1381 N GLN A 93 -11.073 10.785 2.012 1.00 0.46 N ATOM 1382 CA GLN A 93 -9.752 10.259 1.733 1.00 0.42 C ATOM 1383 C GLN A 93 -9.066 9.898 3.036 1.00 0.41 C ATOM 1384 O GLN A 93 -8.979 10.723 3.938 1.00 0.56 O ATOM 1385 CB GLN A 93 -8.893 11.271 0.968 1.00 0.53 C ATOM 1386 CG GLN A 93 -7.481 10.769 0.681 1.00 0.58 C ATOM 1387 CD GLN A 93 -6.572 11.835 0.136 1.00 0.92 C ATOM 1388 OE1 GLN A 93 -6.468 12.034 -1.065 1.00 1.57 O ATOM 1389 NE2 GLN A 93 -5.900 12.529 1.015 1.00 1.33 N ATOM 0 H GLN A 93 -11.092 11.771 2.274 1.00 0.46 H new ATOM 0 HA GLN A 93 -9.867 9.372 1.109 1.00 0.42 H new ATOM 0 HB2 GLN A 93 -9.383 11.514 0.025 1.00 0.53 H new ATOM 0 HB3 GLN A 93 -8.833 12.195 1.544 1.00 0.53 H new ATOM 0 HG2 GLN A 93 -7.051 10.369 1.599 1.00 0.58 H new ATOM 0 HG3 GLN A 93 -7.533 9.946 -0.032 1.00 0.58 H new ATOM 0 HE21 GLN A 93 -6.011 12.336 2.010 1.00 1.33 H new ATOM 0 HE22 GLN A 93 -5.264 13.264 0.706 1.00 1.33 H new ATOM 1398 N ALA A 94 -8.578 8.698 3.128 1.00 0.30 N ATOM 1399 CA ALA A 94 -7.887 8.250 4.320 1.00 0.33 C ATOM 1400 C ALA A 94 -6.402 8.277 4.067 1.00 0.31 C ATOM 1401 O ALA A 94 -5.969 8.201 2.909 1.00 0.30 O ATOM 1402 CB ALA A 94 -8.303 6.845 4.673 1.00 0.37 C ATOM 0 H ALA A 94 -8.642 7.998 2.389 1.00 0.30 H new ATOM 0 HA ALA A 94 -8.142 8.912 5.148 1.00 0.33 H new ATOM 0 HB1 ALA A 94 -7.775 6.524 5.571 1.00 0.37 H new ATOM 0 HB2 ALA A 94 -9.377 6.819 4.855 1.00 0.37 H new ATOM 0 HB3 ALA A 94 -8.058 6.175 3.849 1.00 0.37 H new ATOM 1408 N SER A 95 -5.628 8.393 5.116 1.00 0.36 N ATOM 1409 CA SER A 95 -4.204 8.417 4.994 1.00 0.37 C ATOM 1410 C SER A 95 -3.554 7.746 6.190 1.00 0.38 C ATOM 1411 O SER A 95 -4.138 7.699 7.271 1.00 0.57 O ATOM 1412 CB SER A 95 -3.719 9.861 4.851 1.00 0.43 C ATOM 1413 OG SER A 95 -4.208 10.681 5.911 1.00 0.50 O ATOM 0 H SER A 95 -5.972 8.473 6.073 1.00 0.36 H new ATOM 0 HA SER A 95 -3.917 7.862 4.101 1.00 0.37 H new ATOM 0 HB2 SER A 95 -2.629 9.882 4.846 1.00 0.43 H new ATOM 0 HB3 SER A 95 -4.050 10.265 3.894 1.00 0.43 H new ATOM 0 HG SER A 95 -3.880 11.597 5.794 1.00 0.50 H new ATOM 1419 N ALA A 96 -2.395 7.194 5.975 1.00 0.27 N ATOM 1420 CA ALA A 96 -1.581 6.610 7.014 1.00 0.27 C ATOM 1421 C ALA A 96 -0.166 6.653 6.526 1.00 0.23 C ATOM 1422 O ALA A 96 0.047 6.688 5.318 1.00 0.26 O ATOM 1423 CB ALA A 96 -1.990 5.175 7.290 1.00 0.30 C ATOM 0 H ALA A 96 -1.974 7.134 5.048 1.00 0.27 H new ATOM 0 HA ALA A 96 -1.701 7.163 7.946 1.00 0.27 H new ATOM 0 HB1 ALA A 96 -1.359 4.762 8.077 1.00 0.30 H new ATOM 0 HB2 ALA A 96 -3.032 5.149 7.609 1.00 0.30 H new ATOM 0 HB3 ALA A 96 -1.873 4.582 6.383 1.00 0.30 H new ATOM 1429 N SER A 97 0.785 6.651 7.412 1.00 0.26 N ATOM 1430 CA SER A 97 2.167 6.721 7.015 1.00 0.28 C ATOM 1431 C SER A 97 2.987 5.710 7.795 1.00 0.25 C ATOM 1432 O SER A 97 2.808 5.558 9.001 1.00 0.38 O ATOM 1433 CB SER A 97 2.698 8.137 7.241 1.00 0.41 C ATOM 1434 OG SER A 97 1.894 9.095 6.568 1.00 1.26 O ATOM 0 H SER A 97 0.632 6.602 8.419 1.00 0.26 H new ATOM 0 HA SER A 97 2.249 6.482 5.955 1.00 0.28 H new ATOM 0 HB2 SER A 97 2.715 8.357 8.308 1.00 0.41 H new ATOM 0 HB3 SER A 97 3.726 8.205 6.885 1.00 0.41 H new ATOM 0 HG SER A 97 2.252 9.993 6.728 1.00 1.26 H new ATOM 1440 N ILE A 98 3.848 5.010 7.110 1.00 0.25 N ATOM 1441 CA ILE A 98 4.717 4.033 7.718 1.00 0.28 C ATOM 1442 C ILE A 98 6.142 4.354 7.251 1.00 0.28 C ATOM 1443 O ILE A 98 6.357 4.680 6.086 1.00 0.30 O ATOM 1444 CB ILE A 98 4.240 2.561 7.335 1.00 0.36 C ATOM 1445 CG1 ILE A 98 4.939 1.425 8.159 1.00 0.72 C ATOM 1446 CG2 ILE A 98 4.360 2.290 5.835 1.00 0.39 C ATOM 1447 CD1 ILE A 98 6.384 1.119 7.803 1.00 0.37 C ATOM 0 H ILE A 98 3.970 5.101 6.101 1.00 0.25 H new ATOM 0 HA ILE A 98 4.686 4.074 8.807 1.00 0.28 H new ATOM 0 HB ILE A 98 3.186 2.533 7.610 1.00 0.36 H new ATOM 0 HG12 ILE A 98 4.898 1.694 9.214 1.00 0.72 H new ATOM 0 HG13 ILE A 98 4.358 0.511 8.040 1.00 0.72 H new ATOM 0 HG21 ILE A 98 4.024 1.275 5.621 1.00 0.39 H new ATOM 0 HG22 ILE A 98 3.742 3.001 5.286 1.00 0.39 H new ATOM 0 HG23 ILE A 98 5.400 2.401 5.527 1.00 0.39 H new ATOM 0 HD11 ILE A 98 6.754 0.317 8.442 1.00 0.37 H new ATOM 0 HD12 ILE A 98 6.444 0.809 6.760 1.00 0.37 H new ATOM 0 HD13 ILE A 98 6.992 2.011 7.952 1.00 0.37 H new ATOM 1459 N MET A 99 7.086 4.348 8.145 1.00 0.34 N ATOM 1460 CA MET A 99 8.439 4.675 7.772 1.00 0.41 C ATOM 1461 C MET A 99 9.298 3.437 7.805 1.00 0.40 C ATOM 1462 O MET A 99 9.224 2.654 8.749 1.00 0.51 O ATOM 1463 CB MET A 99 9.023 5.733 8.704 1.00 0.59 C ATOM 1464 CG MET A 99 10.363 6.247 8.229 1.00 0.85 C ATOM 1465 SD MET A 99 11.075 7.499 9.284 1.00 1.25 S ATOM 1466 CE MET A 99 12.437 7.995 8.242 1.00 1.18 C ATOM 0 H MET A 99 6.951 4.123 9.131 1.00 0.34 H new ATOM 0 HA MET A 99 8.423 5.078 6.759 1.00 0.41 H new ATOM 0 HB2 MET A 99 8.325 6.567 8.784 1.00 0.59 H new ATOM 0 HB3 MET A 99 9.133 5.312 9.703 1.00 0.59 H new ATOM 0 HG2 MET A 99 11.057 5.410 8.157 1.00 0.85 H new ATOM 0 HG3 MET A 99 10.249 6.654 7.224 1.00 0.85 H new ATOM 0 HE1 MET A 99 13.007 8.781 8.738 1.00 1.18 H new ATOM 0 HE2 MET A 99 13.085 7.138 8.058 1.00 1.18 H new ATOM 0 HE3 MET A 99 12.052 8.369 7.294 1.00 1.18 H new ATOM 1476 N ALA A 100 10.087 3.254 6.786 1.00 0.42 N ATOM 1477 CA ALA A 100 10.993 2.140 6.708 1.00 0.48 C ATOM 1478 C ALA A 100 12.327 2.656 6.226 1.00 0.48 C ATOM 1479 O ALA A 100 12.374 3.574 5.398 1.00 0.57 O ATOM 1480 CB ALA A 100 10.450 1.056 5.772 1.00 0.58 C ATOM 0 H ALA A 100 10.122 3.877 5.979 1.00 0.42 H new ATOM 0 HA ALA A 100 11.106 1.682 7.690 1.00 0.48 H new ATOM 0 HB1 ALA A 100 11.154 0.225 5.731 1.00 0.58 H new ATOM 0 HB2 ALA A 100 9.490 0.700 6.146 1.00 0.58 H new ATOM 0 HB3 ALA A 100 10.319 1.471 4.772 1.00 0.58 H new ATOM 1486 N ALA A 101 13.391 2.130 6.766 1.00 0.56 N ATOM 1487 CA ALA A 101 14.712 2.547 6.382 1.00 0.65 C ATOM 1488 C ALA A 101 15.522 1.359 5.907 1.00 0.66 C ATOM 1489 O ALA A 101 15.709 0.378 6.642 1.00 0.77 O ATOM 1490 CB ALA A 101 15.409 3.256 7.530 1.00 0.84 C ATOM 0 H ALA A 101 13.368 1.403 7.482 1.00 0.56 H new ATOM 0 HA ALA A 101 14.625 3.254 5.557 1.00 0.65 H new ATOM 0 HB1 ALA A 101 16.407 3.562 7.216 1.00 0.84 H new ATOM 0 HB2 ALA A 101 14.833 4.136 7.818 1.00 0.84 H new ATOM 0 HB3 ALA A 101 15.488 2.580 8.381 1.00 0.84 H new ATOM 1496 N PHE A 102 15.978 1.436 4.679 1.00 0.75 N ATOM 1497 CA PHE A 102 16.756 0.431 4.087 1.00 0.87 C ATOM 1498 C PHE A 102 17.663 1.067 3.059 1.00 1.20 C ATOM 1499 O PHE A 102 17.198 1.714 2.113 1.00 2.05 O ATOM 1500 CB PHE A 102 15.878 -0.622 3.408 1.00 0.97 C ATOM 1501 CG PHE A 102 16.682 -1.720 2.791 1.00 1.69 C ATOM 1502 CD1 PHE A 102 17.219 -2.699 3.583 1.00 2.20 C ATOM 1503 CD2 PHE A 102 16.911 -1.759 1.427 1.00 2.45 C ATOM 1504 CE1 PHE A 102 17.975 -3.718 3.039 1.00 3.25 C ATOM 1505 CE2 PHE A 102 17.666 -2.770 0.871 1.00 3.51 C ATOM 1506 CZ PHE A 102 18.201 -3.753 1.678 1.00 3.86 C ATOM 0 H PHE A 102 15.800 2.232 4.066 1.00 0.75 H new ATOM 0 HA PHE A 102 17.340 -0.065 4.862 1.00 0.87 H new ATOM 0 HB2 PHE A 102 15.191 -1.046 4.140 1.00 0.97 H new ATOM 0 HB3 PHE A 102 15.270 -0.144 2.640 1.00 0.97 H new ATOM 0 HD1 PHE A 102 17.049 -2.674 4.649 1.00 2.20 H new ATOM 0 HD2 PHE A 102 16.495 -0.991 0.792 1.00 2.45 H new ATOM 0 HE1 PHE A 102 18.388 -4.485 3.677 1.00 3.25 H new ATOM 0 HE2 PHE A 102 17.838 -2.792 -0.195 1.00 3.51 H new ATOM 0 HZ PHE A 102 18.794 -4.546 1.247 1.00 3.86 H new