USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 627 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 7 THR OG1 : rot -64:sc= 0.428 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 169:sc=-0.00538 (180deg=-0.188) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.24 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 170:sc=-0.00792 (180deg=-0.137) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -68:sc= 0.506 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 0.526 (180deg=0.485) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.682 F(o=-4.7!,f=-0.68) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.99 K(o=-2,f=-9.3!) USER MOD Single : A 41 GLN : amide:sc= -2.15 K(o=-2.1,f=-10!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -59:sc= 1.15 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.115 K(o=-0.12,f=-1.1) USER MOD Single : A 62 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.2) USER MOD Single : A 63 LYS NZ :NH3+ 163:sc= -0.0196 (180deg=-0.249) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 45:sc= 0.124 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.762 24.949 2.793 1.00 49.53 N ATOM 2 CA MET A 1 25.662 25.885 3.089 1.00 50.07 C ATOM 3 C MET A 1 26.152 27.057 3.973 1.00 50.51 C ATOM 4 O MET A 1 26.866 26.810 4.945 1.00 49.49 O ATOM 5 CB MET A 1 24.513 25.150 3.775 1.00 49.82 C ATOM 6 CG MET A 1 23.204 25.927 3.820 1.00 49.86 C ATOM 7 SD MET A 1 22.634 26.422 2.182 1.00 49.91 S ATOM 8 CE MET A 1 22.214 24.832 1.474 1.00 49.78 C ATOM 0 H1 MET A 1 26.371 24.058 2.425 1.00 49.53 H new ATOM 0 H2 MET A 1 27.394 25.369 2.082 1.00 49.53 H new ATOM 0 H3 MET A 1 27.299 24.758 3.663 1.00 49.53 H new ATOM 0 HA MET A 1 25.305 26.298 2.146 1.00 50.07 H new ATOM 0 HB2 MET A 1 24.343 24.205 3.258 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.812 24.906 4.795 1.00 49.82 H new ATOM 0 HG2 MET A 1 22.439 25.315 4.297 1.00 49.86 H new ATOM 0 HG3 MET A 1 23.334 26.815 4.439 1.00 49.86 H new ATOM 0 HE1 MET A 1 21.667 24.981 0.543 1.00 49.78 H new ATOM 0 HE2 MET A 1 23.127 24.271 1.273 1.00 49.78 H new ATOM 0 HE3 MET A 1 21.592 24.274 2.175 1.00 49.78 H new ATOM 18 N GLN A 2 25.739 28.226 3.585 1.00 49.53 N ATOM 19 CA GLN A 2 26.118 29.433 4.385 1.00 50.07 C ATOM 20 C GLN A 2 25.450 29.587 5.743 1.00 50.51 C ATOM 21 O GLN A 2 24.209 29.434 5.916 1.00 49.49 O ATOM 22 CB GLN A 2 25.856 30.698 3.564 1.00 49.82 C ATOM 23 CG GLN A 2 26.717 30.822 2.319 1.00 49.82 C ATOM 24 CD GLN A 2 26.230 31.913 1.384 1.00 50.55 C ATOM 25 OE1 GLN A 2 26.494 33.099 1.603 1.00 49.45 O ATOM 26 NE2 GLN A 2 25.511 31.520 0.340 1.00 49.38 N ATOM 0 H GLN A 2 25.164 28.405 2.762 1.00 49.53 H new ATOM 0 HA GLN A 2 27.176 29.284 4.603 1.00 50.07 H new ATOM 0 HB2 GLN A 2 24.807 30.716 3.270 1.00 49.82 H new ATOM 0 HB3 GLN A 2 26.024 31.570 4.197 1.00 49.82 H new ATOM 0 HG2 GLN A 2 27.746 31.031 2.612 1.00 49.82 H new ATOM 0 HG3 GLN A 2 26.724 29.870 1.789 1.00 49.82 H new ATOM 0 HE21 GLN A 2 25.317 30.529 0.198 1.00 49.38 H new ATOM 0 HE22 GLN A 2 25.152 32.209 -0.321 1.00 49.38 H new ATOM 35 N ILE A 3 26.268 29.884 6.742 1.00 49.53 N ATOM 36 CA ILE A 3 25.742 30.205 8.082 1.00 50.07 C ATOM 37 C ILE A 3 26.359 31.558 8.541 1.00 50.51 C ATOM 38 O ILE A 3 27.471 31.812 8.110 1.00 49.49 O ATOM 39 CB ILE A 3 26.076 29.107 9.109 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.593 28.943 9.240 1.00 49.82 C ATOM 41 CG2 ILE A 3 25.427 27.790 8.711 1.00 49.73 C ATOM 42 CD1 ILE A 3 28.012 28.036 10.374 1.00 49.73 C ATOM 0 H ILE A 3 27.285 29.912 6.664 1.00 49.53 H new ATOM 0 HA ILE A 3 24.656 30.274 8.022 1.00 50.07 H new ATOM 0 HB ILE A 3 25.677 29.406 10.078 1.00 49.91 H new ATOM 0 HG12 ILE A 3 27.988 28.547 8.305 1.00 49.82 H new ATOM 0 HG13 ILE A 3 28.044 29.924 9.386 1.00 49.82 H new ATOM 0 HG21 ILE A 3 25.674 27.026 9.448 1.00 49.73 H new ATOM 0 HG22 ILE A 3 24.345 27.916 8.667 1.00 49.73 H new ATOM 0 HG23 ILE A 3 25.797 27.483 7.732 1.00 49.73 H new ATOM 0 HD11 ILE A 3 29.100 27.969 10.403 1.00 49.73 H new ATOM 0 HD12 ILE A 3 27.648 28.442 11.318 1.00 49.73 H new ATOM 0 HD13 ILE A 3 27.591 27.042 10.220 1.00 49.73 H new ATOM 54 N PHE A 4 25.576 32.250 9.334 1.00 49.53 N ATOM 55 CA PHE A 4 26.096 33.577 9.841 1.00 50.07 C ATOM 56 C PHE A 4 26.489 33.726 11.284 1.00 50.51 C ATOM 57 O PHE A 4 25.679 33.297 12.119 1.00 49.49 O ATOM 58 CB PHE A 4 25.080 34.670 9.503 1.00 49.82 C ATOM 59 CG PHE A 4 24.910 34.906 8.030 1.00 50.00 C ATOM 60 CD1 PHE A 4 24.147 34.042 7.258 1.00 49.88 C ATOM 61 CD2 PHE A 4 25.513 35.991 7.411 1.00 49.88 C ATOM 62 CE1 PHE A 4 23.990 34.258 5.901 1.00 49.88 C ATOM 63 CE2 PHE A 4 25.358 36.209 6.057 1.00 49.88 C ATOM 64 CZ PHE A 4 24.595 35.342 5.301 1.00 49.88 C ATOM 0 H PHE A 4 24.643 31.979 9.645 1.00 49.53 H new ATOM 0 HA PHE A 4 27.052 33.659 9.323 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.115 34.401 9.932 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.391 35.601 9.977 1.00 49.82 H new ATOM 0 HD1 PHE A 4 23.670 33.191 7.722 1.00 49.88 H new ATOM 0 HD2 PHE A 4 26.111 36.674 7.996 1.00 49.88 H new ATOM 0 HE1 PHE A 4 23.394 33.578 5.311 1.00 49.88 H new ATOM 0 HE2 PHE A 4 25.834 37.058 5.589 1.00 49.88 H new ATOM 0 HZ PHE A 4 24.472 35.512 4.242 1.00 49.88 H new ATOM 74 N VAL A 5 27.621 34.336 11.621 1.00 49.53 N ATOM 75 CA VAL A 5 27.983 34.574 13.004 1.00 50.07 C ATOM 76 C VAL A 5 28.145 36.071 13.360 1.00 50.51 C ATOM 77 O VAL A 5 28.956 36.663 12.637 1.00 49.49 O ATOM 78 CB VAL A 5 29.285 33.838 13.371 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.581 33.989 14.856 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.190 32.367 12.995 1.00 49.73 C ATOM 0 H VAL A 5 28.305 34.675 10.945 1.00 49.53 H new ATOM 0 HA VAL A 5 27.146 34.185 13.584 1.00 50.07 H new ATOM 0 HB VAL A 5 30.104 34.286 12.808 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.504 33.463 15.098 1.00 49.73 H new ATOM 0 HG12 VAL A 5 29.691 35.046 15.099 1.00 49.73 H new ATOM 0 HG13 VAL A 5 28.760 33.567 15.435 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.119 31.863 13.262 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.360 31.907 13.532 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.023 32.276 11.922 1.00 49.73 H new ATOM 90 N LYS A 6 27.411 36.533 14.312 1.00 49.53 N ATOM 91 CA LYS A 6 27.479 37.988 14.687 1.00 50.07 C ATOM 92 C LYS A 6 28.564 38.202 15.706 1.00 50.51 C ATOM 93 O LYS A 6 28.604 37.502 16.743 1.00 49.49 O ATOM 94 CB LYS A 6 26.133 38.470 15.233 1.00 49.82 C ATOM 95 CG LYS A 6 26.141 39.902 15.752 1.00 49.82 C ATOM 96 CD LYS A 6 24.934 40.177 16.634 1.00 49.82 C ATOM 97 CE LYS A 6 23.652 40.246 15.816 1.00 50.21 C ATOM 98 NZ LYS A 6 22.476 40.606 16.653 1.00 49.70 N ATOM 0 H LYS A 6 26.756 35.976 14.861 1.00 49.53 H new ATOM 0 HA LYS A 6 27.710 38.568 13.794 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.384 38.386 14.445 1.00 49.82 H new ATOM 0 HB3 LYS A 6 25.823 37.806 16.040 1.00 49.82 H new ATOM 0 HG2 LYS A 6 27.056 40.081 16.317 1.00 49.82 H new ATOM 0 HG3 LYS A 6 26.145 40.596 14.911 1.00 49.82 H new ATOM 0 HD2 LYS A 6 24.845 39.393 17.387 1.00 49.82 H new ATOM 0 HD3 LYS A 6 25.078 41.117 17.168 1.00 49.82 H new ATOM 0 HE2 LYS A 6 23.769 40.981 15.020 1.00 50.21 H new ATOM 0 HE3 LYS A 6 23.475 39.283 15.337 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 21.624 40.642 16.058 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 22.348 39.891 17.398 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 22.633 41.537 17.090 1.00 49.70 H new ATOM 112 N THR A 7 29.466 39.178 15.453 1.00 49.53 N ATOM 113 CA THR A 7 30.554 39.444 16.406 1.00 50.07 C ATOM 114 C THR A 7 30.399 40.749 17.189 1.00 50.51 C ATOM 115 O THR A 7 29.566 41.566 16.788 1.00 49.49 O ATOM 116 CB THR A 7 31.919 39.462 15.694 1.00 50.14 C ATOM 117 OG1 THR A 7 31.943 40.516 14.724 1.00 49.34 O ATOM 118 CG2 THR A 7 32.176 38.134 14.998 1.00 49.73 C ATOM 0 H THR A 7 29.461 39.773 14.625 1.00 49.53 H new ATOM 0 HA THR A 7 30.500 38.625 17.123 1.00 50.07 H new ATOM 0 HB THR A 7 32.697 39.627 16.440 1.00 50.14 H new ATOM 0 HG1 THR A 7 31.283 40.331 14.024 1.00 49.34 H new ATOM 0 HG21 THR A 7 33.145 38.166 14.500 1.00 49.73 H new ATOM 0 HG22 THR A 7 32.172 37.330 15.735 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.395 37.953 14.260 1.00 49.73 H new ATOM 126 N LEU A 8 31.138 40.916 18.263 1.00 49.53 N ATOM 127 CA LEU A 8 31.013 42.132 19.098 1.00 50.07 C ATOM 128 C LEU A 8 31.934 43.174 18.496 1.00 50.51 C ATOM 129 O LEU A 8 32.074 44.274 19.064 1.00 49.49 O ATOM 130 CB LEU A 8 31.388 41.837 20.556 1.00 49.82 C ATOM 131 CG LEU A 8 30.394 40.954 21.319 1.00 49.91 C ATOM 132 CD1 LEU A 8 31.017 40.475 22.623 1.00 49.73 C ATOM 133 CD2 LEU A 8 29.118 41.737 21.587 1.00 49.73 C ATOM 0 H LEU A 8 31.831 40.244 18.592 1.00 49.53 H new ATOM 0 HA LEU A 8 29.984 42.490 19.110 1.00 50.07 H new ATOM 0 HB2 LEU A 8 32.365 41.355 20.573 1.00 49.82 H new ATOM 0 HB3 LEU A 8 31.491 42.783 21.087 1.00 49.82 H new ATOM 0 HG LEU A 8 30.148 40.080 20.716 1.00 49.91 H new ATOM 0 HD11 LEU A 8 30.304 39.848 23.158 1.00 49.73 H new ATOM 0 HD12 LEU A 8 31.916 39.898 22.406 1.00 49.73 H new ATOM 0 HD13 LEU A 8 31.278 41.335 23.239 1.00 49.73 H new ATOM 0 HD21 LEU A 8 28.412 41.108 22.129 1.00 49.73 H new ATOM 0 HD22 LEU A 8 29.351 42.619 22.184 1.00 49.73 H new ATOM 0 HD23 LEU A 8 28.675 42.046 20.640 1.00 49.73 H new ATOM 145 N THR A 9 32.566 42.863 17.347 1.00 49.53 N ATOM 146 CA THR A 9 33.467 43.927 16.789 1.00 50.07 C ATOM 147 C THR A 9 32.683 44.629 15.723 1.00 50.51 C ATOM 148 O THR A 9 33.209 45.467 14.968 1.00 49.49 O ATOM 149 CB THR A 9 34.760 43.342 16.191 1.00 50.14 C ATOM 150 OG1 THR A 9 34.430 42.415 15.149 1.00 49.34 O ATOM 151 CG2 THR A 9 35.567 42.627 17.263 1.00 49.73 C ATOM 0 H THR A 9 32.496 41.990 16.825 1.00 49.53 H new ATOM 0 HA THR A 9 33.777 44.604 17.585 1.00 50.07 H new ATOM 0 HB THR A 9 35.357 44.159 15.785 1.00 50.14 H new ATOM 0 HG1 THR A 9 35.253 42.044 14.768 1.00 49.34 H new ATOM 0 HG21 THR A 9 36.477 42.220 16.822 1.00 49.73 H new ATOM 0 HG22 THR A 9 35.830 43.332 18.052 1.00 49.73 H new ATOM 0 HG23 THR A 9 34.974 41.816 17.685 1.00 49.73 H new ATOM 159 N GLY A 10 31.450 44.273 15.539 1.00 49.53 N ATOM 160 CA GLY A 10 30.577 44.867 14.550 1.00 49.98 C ATOM 161 C GLY A 10 30.826 44.459 13.129 1.00 50.51 C ATOM 162 O GLY A 10 30.682 45.283 12.199 1.00 49.49 O ATOM 0 H GLY A 10 31.000 43.539 16.085 1.00 49.53 H new ATOM 0 HA2 GLY A 10 29.547 44.616 14.805 1.00 49.98 H new ATOM 0 HA3 GLY A 10 30.667 45.951 14.618 1.00 49.98 H new ATOM 166 N LYS A 11 31.184 43.215 12.936 1.00 49.53 N ATOM 167 CA LYS A 11 31.356 42.647 11.607 1.00 50.07 C ATOM 168 C LYS A 11 30.446 41.424 11.345 1.00 50.51 C ATOM 169 O LYS A 11 30.263 40.658 12.285 1.00 49.49 O ATOM 170 CB LYS A 11 32.818 42.259 11.383 1.00 49.82 C ATOM 171 CG LYS A 11 33.775 43.440 11.288 1.00 49.82 C ATOM 172 CD LYS A 11 35.205 42.976 11.055 1.00 49.82 C ATOM 173 CE LYS A 11 36.153 44.158 10.904 1.00 50.21 C ATOM 174 NZ LYS A 11 36.216 44.983 12.140 1.00 49.70 N ATOM 0 H LYS A 11 31.367 42.558 13.694 1.00 49.53 H new ATOM 0 HA LYS A 11 31.060 43.422 10.900 1.00 50.07 H new ATOM 0 HB2 LYS A 11 33.139 41.612 12.199 1.00 49.82 H new ATOM 0 HB3 LYS A 11 32.890 41.674 10.466 1.00 49.82 H new ATOM 0 HG2 LYS A 11 33.466 44.096 10.474 1.00 49.82 H new ATOM 0 HG3 LYS A 11 33.726 44.026 12.206 1.00 49.82 H new ATOM 0 HD2 LYS A 11 35.528 42.353 11.889 1.00 49.82 H new ATOM 0 HD3 LYS A 11 35.247 42.357 10.159 1.00 49.82 H new ATOM 0 HE2 LYS A 11 37.151 43.794 10.660 1.00 50.21 H new ATOM 0 HE3 LYS A 11 35.828 44.779 10.070 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 36.991 45.672 12.059 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 35.316 45.488 12.267 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 36.385 44.367 12.960 1.00 49.70 H new ATOM 188 N THR A 12 29.984 41.288 10.117 1.00 49.53 N ATOM 189 CA THR A 12 29.183 40.086 9.814 1.00 50.07 C ATOM 190 C THR A 12 30.120 39.091 9.130 1.00 50.51 C ATOM 191 O THR A 12 30.735 39.508 8.144 1.00 49.49 O ATOM 192 CB THR A 12 27.990 40.399 8.894 1.00 50.14 C ATOM 193 OG1 THR A 12 27.133 41.358 9.527 1.00 49.34 O ATOM 194 CG2 THR A 12 27.198 39.134 8.599 1.00 49.73 C ATOM 0 H THR A 12 30.128 41.941 9.347 1.00 49.53 H new ATOM 0 HA THR A 12 28.765 39.683 10.737 1.00 50.07 H new ATOM 0 HB THR A 12 28.370 40.805 7.957 1.00 50.14 H new ATOM 0 HG1 THR A 12 26.375 41.557 8.939 1.00 49.34 H new ATOM 0 HG21 THR A 12 26.358 39.374 7.947 1.00 49.73 H new ATOM 0 HG22 THR A 12 27.844 38.407 8.106 1.00 49.73 H new ATOM 0 HG23 THR A 12 26.824 38.713 9.532 1.00 49.73 H new ATOM 202 N ILE A 13 30.141 37.861 9.639 1.00 49.53 N ATOM 203 CA ILE A 13 31.057 36.903 8.952 1.00 50.07 C ATOM 204 C ILE A 13 30.271 35.850 8.221 1.00 50.51 C ATOM 205 O ILE A 13 29.297 35.304 8.777 1.00 49.49 O ATOM 206 CB ILE A 13 32.015 36.222 9.946 1.00 49.91 C ATOM 207 CG1 ILE A 13 33.040 37.228 10.475 1.00 49.82 C ATOM 208 CG2 ILE A 13 32.714 35.041 9.288 1.00 49.73 C ATOM 209 CD1 ILE A 13 33.862 36.712 11.633 1.00 49.73 C ATOM 0 H ILE A 13 29.606 37.512 10.435 1.00 49.53 H new ATOM 0 HA ILE A 13 31.648 37.479 8.240 1.00 50.07 H new ATOM 0 HB ILE A 13 31.432 35.850 10.789 1.00 49.91 H new ATOM 0 HG12 ILE A 13 33.711 37.510 9.663 1.00 49.82 H new ATOM 0 HG13 ILE A 13 32.519 38.133 10.787 1.00 49.82 H new ATOM 0 HG21 ILE A 13 33.387 34.571 10.005 1.00 49.73 H new ATOM 0 HG22 ILE A 13 31.970 34.315 8.959 1.00 49.73 H new ATOM 0 HG23 ILE A 13 33.286 35.390 8.428 1.00 49.73 H new ATOM 0 HD11 ILE A 13 34.565 37.482 11.952 1.00 49.73 H new ATOM 0 HD12 ILE A 13 33.202 36.457 12.462 1.00 49.73 H new ATOM 0 HD13 ILE A 13 34.412 35.824 11.321 1.00 49.73 H new ATOM 221 N THR A 14 30.558 35.632 6.957 1.00 49.53 N ATOM 222 CA THR A 14 29.799 34.554 6.259 1.00 50.07 C ATOM 223 C THR A 14 30.630 33.303 6.145 1.00 50.51 C ATOM 224 O THR A 14 31.609 33.261 5.355 1.00 49.49 O ATOM 225 CB THR A 14 29.355 34.994 4.852 1.00 50.14 C ATOM 226 OG1 THR A 14 28.425 36.081 4.959 1.00 49.34 O ATOM 227 CG2 THR A 14 28.695 33.839 4.115 1.00 49.73 C ATOM 0 H THR A 14 31.254 36.131 6.402 1.00 49.53 H new ATOM 0 HA THR A 14 28.912 34.350 6.858 1.00 50.07 H new ATOM 0 HB THR A 14 30.235 35.313 4.293 1.00 50.14 H new ATOM 0 HG1 THR A 14 27.588 35.758 5.352 1.00 49.34 H new ATOM 0 HG21 THR A 14 28.388 34.169 3.123 1.00 49.73 H new ATOM 0 HG22 THR A 14 29.403 33.016 4.021 1.00 49.73 H new ATOM 0 HG23 THR A 14 27.821 33.504 4.673 1.00 49.73 H new ATOM 235 N LEU A 15 30.308 32.261 6.895 1.00 49.53 N ATOM 236 CA LEU A 15 31.057 31.024 6.864 1.00 50.07 C ATOM 237 C LEU A 15 30.557 29.984 5.854 1.00 50.51 C ATOM 238 O LEU A 15 29.380 30.084 5.536 1.00 49.49 O ATOM 239 CB LEU A 15 31.084 30.405 8.268 1.00 49.82 C ATOM 240 CG LEU A 15 31.907 31.179 9.306 1.00 49.91 C ATOM 241 CD1 LEU A 15 31.902 30.435 10.636 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.328 31.362 8.796 1.00 49.73 C ATOM 0 H LEU A 15 29.519 32.253 7.541 1.00 49.53 H new ATOM 0 HA LEU A 15 32.057 31.298 6.528 1.00 50.07 H new ATOM 0 HB2 LEU A 15 30.059 30.320 8.630 1.00 49.82 H new ATOM 0 HB3 LEU A 15 31.481 29.393 8.194 1.00 49.82 H new ATOM 0 HG LEU A 15 31.462 32.162 9.463 1.00 49.91 H new ATOM 0 HD11 LEU A 15 32.489 30.992 11.367 1.00 49.73 H new ATOM 0 HD12 LEU A 15 30.877 30.336 10.993 1.00 49.73 H new ATOM 0 HD13 LEU A 15 32.337 29.445 10.501 1.00 49.73 H new ATOM 0 HD21 LEU A 15 33.912 31.912 9.534 1.00 49.73 H new ATOM 0 HD22 LEU A 15 33.783 30.386 8.628 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.310 31.920 7.860 1.00 49.73 H new ATOM 254 N GLU A 16 31.460 29.131 5.435 1.00 49.53 N ATOM 255 CA GLU A 16 30.990 28.012 4.555 1.00 50.07 C ATOM 256 C GLU A 16 31.243 26.716 5.294 1.00 50.51 C ATOM 257 O GLU A 16 32.350 26.516 5.791 1.00 49.49 O ATOM 258 CB GLU A 16 31.724 28.023 3.212 1.00 49.82 C ATOM 259 CG GLU A 16 31.244 29.093 2.243 1.00 49.72 C ATOM 260 CD GLU A 16 32.252 29.335 1.153 1.00 50.62 C ATOM 261 OE1 GLU A 16 32.602 28.399 0.475 1.00 49.24 O ATOM 262 OE2 GLU A 16 32.588 30.473 0.924 1.00 49.24 O ATOM 0 H GLU A 16 32.457 29.154 5.650 1.00 49.53 H new ATOM 0 HA GLU A 16 29.928 28.126 4.336 1.00 50.07 H new ATOM 0 HB2 GLU A 16 32.789 28.167 3.395 1.00 49.82 H new ATOM 0 HB3 GLU A 16 31.610 27.046 2.741 1.00 49.82 H new ATOM 0 HG2 GLU A 16 30.295 28.788 1.802 1.00 49.72 H new ATOM 0 HG3 GLU A 16 31.061 30.021 2.784 1.00 49.72 H new ATOM 269 N VAL A 17 30.130 26.048 5.558 1.00 49.53 N ATOM 270 CA VAL A 17 30.140 24.793 6.302 1.00 50.07 C ATOM 271 C VAL A 17 29.222 23.746 5.654 1.00 50.51 C ATOM 272 O VAL A 17 28.560 23.998 4.621 1.00 49.49 O ATOM 273 CB VAL A 17 29.706 25.003 7.765 1.00 49.91 C ATOM 274 CG1 VAL A 17 30.600 26.031 8.443 1.00 49.73 C ATOM 275 CG2 VAL A 17 28.250 25.437 7.833 1.00 49.73 C ATOM 0 H VAL A 17 29.202 26.355 5.267 1.00 49.53 H new ATOM 0 HA VAL A 17 31.167 24.428 6.281 1.00 50.07 H new ATOM 0 HB VAL A 17 29.807 24.055 8.293 1.00 49.91 H new ATOM 0 HG11 VAL A 17 30.279 26.167 9.476 1.00 49.73 H new ATOM 0 HG12 VAL A 17 31.633 25.682 8.427 1.00 49.73 H new ATOM 0 HG13 VAL A 17 30.529 26.981 7.913 1.00 49.73 H new ATOM 0 HG21 VAL A 17 27.961 25.580 8.874 1.00 49.73 H new ATOM 0 HG22 VAL A 17 28.124 26.373 7.289 1.00 49.73 H new ATOM 0 HG23 VAL A 17 27.620 24.669 7.384 1.00 49.73 H new ATOM 285 N GLU A 18 29.258 22.595 6.287 1.00 49.53 N ATOM 286 CA GLU A 18 28.399 21.458 5.952 1.00 50.07 C ATOM 287 C GLU A 18 27.673 20.995 7.207 1.00 50.51 C ATOM 288 O GLU A 18 28.170 21.128 8.314 1.00 49.49 O ATOM 289 CB GLU A 18 29.220 20.313 5.355 1.00 49.82 C ATOM 290 CG GLU A 18 29.869 20.635 4.017 1.00 49.72 C ATOM 291 CD GLU A 18 30.822 19.552 3.596 1.00 50.62 C ATOM 292 OE1 GLU A 18 30.984 18.609 4.335 1.00 49.24 O ATOM 293 OE2 GLU A 18 31.304 19.608 2.490 1.00 49.24 O ATOM 0 H GLU A 18 29.892 22.409 7.064 1.00 49.53 H new ATOM 0 HA GLU A 18 27.670 21.769 5.204 1.00 50.07 H new ATOM 0 HB2 GLU A 18 29.999 20.032 6.064 1.00 49.82 H new ATOM 0 HB3 GLU A 18 28.573 19.444 5.231 1.00 49.82 H new ATOM 0 HG2 GLU A 18 29.098 20.759 3.257 1.00 49.72 H new ATOM 0 HG3 GLU A 18 30.402 21.583 4.088 1.00 49.72 H new ATOM 300 N PRO A 19 26.474 20.469 7.044 1.00 49.71 N ATOM 301 CA PRO A 19 25.687 19.939 8.159 1.00 50.02 C ATOM 302 C PRO A 19 26.449 18.900 8.943 1.00 50.51 C ATOM 303 O PRO A 19 26.156 18.627 10.116 1.00 49.49 O ATOM 304 CB PRO A 19 24.450 19.320 7.471 1.00 49.82 C ATOM 305 CG PRO A 19 24.304 20.154 6.241 1.00 49.82 C ATOM 306 CD PRO A 19 25.764 20.317 5.749 1.00 50.00 C ATOM 0 HA PRO A 19 25.431 20.709 8.886 1.00 50.02 H new ATOM 0 HB2 PRO A 19 24.605 18.268 7.231 1.00 49.82 H new ATOM 0 HB3 PRO A 19 23.565 19.375 8.105 1.00 49.82 H new ATOM 0 HG2 PRO A 19 23.680 19.664 5.494 1.00 49.82 H new ATOM 0 HG3 PRO A 19 23.843 21.117 6.460 1.00 49.82 H new ATOM 0 HD2 PRO A 19 26.110 19.450 5.186 1.00 50.00 H new ATOM 0 HD3 PRO A 19 25.889 21.187 5.104 1.00 50.00 H new ATOM 314 N SER A 20 27.415 18.256 8.307 1.00 49.53 N ATOM 315 CA SER A 20 28.170 17.189 8.982 1.00 50.07 C ATOM 316 C SER A 20 29.317 17.778 9.771 1.00 50.51 C ATOM 317 O SER A 20 30.110 16.996 10.324 1.00 49.49 O ATOM 318 CB SER A 20 28.681 16.184 7.968 1.00 50.05 C ATOM 319 OG SER A 20 29.643 16.741 7.115 1.00 49.34 O ATOM 0 H SER A 20 27.698 18.441 7.345 1.00 49.53 H new ATOM 0 HA SER A 20 27.505 16.672 9.674 1.00 50.07 H new ATOM 0 HB2 SER A 20 29.111 15.329 8.490 1.00 50.05 H new ATOM 0 HB3 SER A 20 27.846 15.809 7.377 1.00 50.05 H new ATOM 0 HG SER A 20 29.948 16.062 6.478 1.00 49.34 H new ATOM 325 N ASP A 21 29.480 19.101 9.698 1.00 49.53 N ATOM 326 CA ASP A 21 30.618 19.692 10.451 1.00 50.07 C ATOM 327 C ASP A 21 30.343 19.658 11.933 1.00 50.51 C ATOM 328 O ASP A 21 29.228 19.985 12.382 1.00 49.49 O ATOM 329 CB ASP A 21 30.880 21.129 9.994 1.00 49.72 C ATOM 330 CG ASP A 21 31.693 21.243 8.711 1.00 50.62 C ATOM 331 OD1 ASP A 21 32.396 20.313 8.393 1.00 49.24 O ATOM 332 OD2 ASP A 21 31.488 22.184 7.983 1.00 49.24 O ATOM 0 H ASP A 21 28.896 19.751 9.172 1.00 49.53 H new ATOM 0 HA ASP A 21 31.508 19.097 10.247 1.00 50.07 H new ATOM 0 HB2 ASP A 21 29.924 21.631 9.849 1.00 49.72 H new ATOM 0 HB3 ASP A 21 31.402 21.661 10.789 1.00 49.72 H new ATOM 337 N THR A 22 31.396 19.466 12.710 1.00 49.53 N ATOM 338 CA THR A 22 31.309 19.500 14.150 1.00 50.07 C ATOM 339 C THR A 22 31.552 20.992 14.473 1.00 50.51 C ATOM 340 O THR A 22 32.036 21.733 13.612 1.00 49.49 O ATOM 341 CB THR A 22 32.374 18.621 14.832 1.00 50.14 C ATOM 342 OG1 THR A 22 33.677 18.997 14.368 1.00 49.34 O ATOM 343 CG2 THR A 22 32.133 17.152 14.519 1.00 49.73 C ATOM 0 H THR A 22 32.334 19.282 12.354 1.00 49.53 H new ATOM 0 HA THR A 22 30.357 19.112 14.512 1.00 50.07 H new ATOM 0 HB THR A 22 32.308 18.768 15.910 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.353 18.438 14.804 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.895 16.546 15.009 1.00 49.73 H new ATOM 0 HG22 THR A 22 31.148 16.860 14.882 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.183 16.997 13.441 1.00 49.73 H new ATOM 351 N ILE A 23 31.202 21.324 15.717 1.00 49.53 N ATOM 352 CA ILE A 23 31.442 22.669 16.231 1.00 50.07 C ATOM 353 C ILE A 23 32.955 22.896 16.290 1.00 50.51 C ATOM 354 O ILE A 23 33.462 24.019 16.120 1.00 49.49 O ATOM 355 CB ILE A 23 30.834 22.870 17.631 1.00 49.91 C ATOM 356 CG1 ILE A 23 29.309 22.742 17.573 1.00 49.82 C ATOM 357 CG2 ILE A 23 31.236 24.222 18.198 1.00 49.73 C ATOM 358 CD1 ILE A 23 28.645 23.754 16.667 1.00 49.73 C ATOM 0 H ILE A 23 30.757 20.687 16.378 1.00 49.53 H new ATOM 0 HA ILE A 23 30.963 23.387 15.565 1.00 50.07 H new ATOM 0 HB ILE A 23 31.221 22.094 18.291 1.00 49.91 H new ATOM 0 HG12 ILE A 23 29.051 21.739 17.233 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.906 22.851 18.580 1.00 49.82 H new ATOM 0 HG21 ILE A 23 30.797 24.346 19.188 1.00 49.73 H new ATOM 0 HG22 ILE A 23 32.322 24.277 18.273 1.00 49.73 H new ATOM 0 HG23 ILE A 23 30.878 25.014 17.540 1.00 49.73 H new ATOM 0 HD11 ILE A 23 27.566 23.600 16.678 1.00 49.73 H new ATOM 0 HD12 ILE A 23 28.871 24.761 17.018 1.00 49.73 H new ATOM 0 HD13 ILE A 23 29.018 23.632 15.650 1.00 49.73 H new ATOM 370 N GLU A 24 33.692 21.844 16.553 1.00 49.53 N ATOM 371 CA GLU A 24 35.189 21.952 16.567 1.00 50.07 C ATOM 372 C GLU A 24 35.702 22.498 15.257 1.00 50.51 C ATOM 373 O GLU A 24 36.534 23.437 15.225 1.00 49.49 O ATOM 374 CB GLU A 24 35.823 20.589 16.855 1.00 49.82 C ATOM 375 CG GLU A 24 37.344 20.606 16.927 1.00 49.72 C ATOM 376 CD GLU A 24 37.872 19.372 17.605 1.00 50.62 C ATOM 377 OE1 GLU A 24 37.558 18.293 17.162 1.00 49.24 O ATOM 378 OE2 GLU A 24 38.679 19.506 18.495 1.00 49.24 O ATOM 0 H GLU A 24 33.324 20.915 16.759 1.00 49.53 H new ATOM 0 HA GLU A 24 35.469 22.644 17.361 1.00 50.07 H new ATOM 0 HB2 GLU A 24 35.431 20.212 17.799 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.516 19.888 16.079 1.00 49.82 H new ATOM 0 HG2 GLU A 24 37.757 20.676 15.921 1.00 49.72 H new ATOM 0 HG3 GLU A 24 37.675 21.492 17.470 1.00 49.72 H new ATOM 385 N ASN A 25 35.264 21.909 14.157 1.00 49.53 N ATOM 386 CA ASN A 25 35.659 22.296 12.797 1.00 50.07 C ATOM 387 C ASN A 25 35.332 23.765 12.530 1.00 50.51 C ATOM 388 O ASN A 25 36.169 24.518 11.990 1.00 49.49 O ATOM 389 CB ASN A 25 34.999 21.413 11.753 1.00 49.82 C ATOM 390 CG ASN A 25 35.678 21.450 10.413 1.00 50.55 C ATOM 391 OD1 ASN A 25 35.413 22.328 9.585 1.00 49.45 O ATOM 392 ND2 ASN A 25 36.490 20.454 10.164 1.00 49.38 N ATOM 0 H ASN A 25 34.608 21.129 14.177 1.00 49.53 H new ATOM 0 HA ASN A 25 36.738 22.160 12.722 1.00 50.07 H new ATOM 0 HB2 ASN A 25 34.986 20.385 12.115 1.00 49.82 H new ATOM 0 HB3 ASN A 25 33.961 21.722 11.633 1.00 49.82 H new ATOM 0 HD21 ASN A 25 36.938 20.377 9.251 1.00 49.38 H new ATOM 0 HD22 ASN A 25 36.675 19.755 10.883 1.00 49.38 H new ATOM 399 N VAL A 26 34.111 24.124 12.895 1.00 49.53 N ATOM 400 CA VAL A 26 33.661 25.502 12.733 1.00 50.07 C ATOM 401 C VAL A 26 34.547 26.512 13.453 1.00 50.51 C ATOM 402 O VAL A 26 34.893 27.565 12.908 1.00 49.49 O ATOM 403 CB VAL A 26 32.212 25.676 13.226 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.827 27.148 13.238 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.252 24.884 12.350 1.00 49.73 C ATOM 0 H VAL A 26 33.421 23.492 13.300 1.00 49.53 H new ATOM 0 HA VAL A 26 33.721 25.702 11.663 1.00 50.07 H new ATOM 0 HB VAL A 26 32.147 25.293 14.244 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.800 27.253 13.589 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.496 27.694 13.904 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.909 27.554 12.230 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.233 25.019 12.713 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.321 25.239 11.322 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.514 23.827 12.387 1.00 49.73 H new ATOM 415 N LYS A 27 34.941 26.169 14.673 1.00 49.53 N ATOM 416 CA LYS A 27 35.795 27.062 15.470 1.00 50.07 C ATOM 417 C LYS A 27 37.233 26.910 15.003 1.00 50.51 C ATOM 418 O LYS A 27 38.124 27.613 15.542 1.00 49.49 O ATOM 419 CB LYS A 27 35.677 26.740 16.961 1.00 49.82 C ATOM 420 CG LYS A 27 34.350 27.145 17.589 1.00 49.82 C ATOM 421 CD LYS A 27 34.104 26.399 18.891 1.00 49.82 C ATOM 422 CE LYS A 27 35.055 26.863 19.984 1.00 50.21 C ATOM 423 NZ LYS A 27 34.794 26.178 21.279 1.00 49.70 N ATOM 0 H LYS A 27 34.691 25.294 15.133 1.00 49.53 H new ATOM 0 HA LYS A 27 35.471 28.093 15.329 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.819 25.668 17.101 1.00 49.82 H new ATOM 0 HB3 LYS A 27 36.485 27.241 17.494 1.00 49.82 H new ATOM 0 HG2 LYS A 27 34.347 28.219 17.776 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.538 26.941 16.891 1.00 49.82 H new ATOM 0 HD2 LYS A 27 33.074 26.555 19.212 1.00 49.82 H new ATOM 0 HD3 LYS A 27 34.229 25.328 18.728 1.00 49.82 H new ATOM 0 HE2 LYS A 27 36.083 26.673 19.675 1.00 50.21 H new ATOM 0 HE3 LYS A 27 34.956 27.940 20.117 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 35.381 26.606 22.023 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 33.790 26.280 21.529 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 35.028 25.169 21.191 1.00 49.70 H new ATOM 437 N ALA A 28 37.545 25.842 14.299 1.00 49.53 N ATOM 438 CA ALA A 28 38.889 25.636 13.745 1.00 50.07 C ATOM 439 C ALA A 28 38.862 26.436 12.455 1.00 50.51 C ATOM 440 O ALA A 28 39.950 26.805 11.896 1.00 49.49 O ATOM 441 CB ALA A 28 39.173 24.144 13.491 1.00 49.73 C ATOM 0 H ALA A 28 36.888 25.091 14.090 1.00 49.53 H new ATOM 0 HA ALA A 28 39.683 25.956 14.420 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.176 24.029 13.081 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.099 23.595 14.430 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.444 23.750 12.782 1.00 49.73 H new ATOM 447 N LYS A 29 37.692 26.770 11.929 1.00 49.53 N ATOM 448 CA LYS A 29 37.597 27.619 10.724 1.00 50.07 C ATOM 449 C LYS A 29 37.619 29.097 11.157 1.00 50.51 C ATOM 450 O LYS A 29 38.240 29.985 10.523 1.00 49.49 O ATOM 451 CB LYS A 29 36.322 27.308 9.938 1.00 49.82 C ATOM 452 CG LYS A 29 36.268 27.938 8.553 1.00 49.82 C ATOM 453 CD LYS A 29 37.378 27.406 7.659 1.00 49.82 C ATOM 454 CE LYS A 29 37.117 27.729 6.195 1.00 50.21 C ATOM 455 NZ LYS A 29 37.188 29.192 5.928 1.00 49.70 N ATOM 0 H LYS A 29 36.792 26.473 12.307 1.00 49.53 H new ATOM 0 HA LYS A 29 38.444 27.415 10.069 1.00 50.07 H new ATOM 0 HB2 LYS A 29 36.227 26.227 9.836 1.00 49.82 H new ATOM 0 HB3 LYS A 29 35.462 27.651 10.514 1.00 49.82 H new ATOM 0 HG2 LYS A 29 35.300 27.733 8.096 1.00 49.82 H new ATOM 0 HG3 LYS A 29 36.356 29.021 8.640 1.00 49.82 H new ATOM 0 HD2 LYS A 29 38.331 27.838 7.964 1.00 49.82 H new ATOM 0 HD3 LYS A 29 37.463 26.327 7.785 1.00 49.82 H new ATOM 0 HE2 LYS A 29 37.847 27.211 5.573 1.00 50.21 H new ATOM 0 HE3 LYS A 29 36.133 27.355 5.911 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 37.005 29.370 4.920 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 36.474 29.685 6.502 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 38.135 29.544 6.175 1.00 49.70 H new ATOM 469 N ILE A 30 36.987 29.372 12.298 1.00 49.53 N ATOM 470 CA ILE A 30 36.956 30.759 12.796 1.00 50.07 C ATOM 471 C ILE A 30 38.316 31.298 13.259 1.00 50.51 C ATOM 472 O ILE A 30 38.569 32.520 13.150 1.00 49.49 O ATOM 473 CB ILE A 30 35.952 30.907 13.954 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.520 30.712 13.449 1.00 49.82 C ATOM 475 CG2 ILE A 30 36.104 32.266 14.620 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.521 30.418 14.544 1.00 49.73 C ATOM 0 H ILE A 30 36.505 28.687 12.880 1.00 49.53 H new ATOM 0 HA ILE A 30 36.649 31.353 11.935 1.00 50.07 H new ATOM 0 HB ILE A 30 36.163 30.136 14.695 1.00 49.91 H new ATOM 0 HG12 ILE A 30 34.207 31.610 12.916 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.507 29.894 12.729 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.387 32.354 15.436 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.115 32.367 15.013 1.00 49.73 H new ATOM 0 HG23 ILE A 30 35.919 33.052 13.888 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.530 30.292 14.108 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.808 29.503 15.062 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.504 31.246 15.253 1.00 49.73 H new ATOM 488 N GLN A 31 39.156 30.468 13.825 1.00 49.53 N ATOM 489 CA GLN A 31 40.487 30.992 14.264 1.00 50.07 C ATOM 490 C GLN A 31 41.389 31.294 13.056 1.00 50.51 C ATOM 491 O GLN A 31 42.373 32.070 13.056 1.00 49.49 O ATOM 492 CB GLN A 31 41.181 29.987 15.188 1.00 49.82 C ATOM 493 CG GLN A 31 42.411 30.535 15.891 1.00 49.82 C ATOM 494 CD GLN A 31 43.286 29.437 16.466 1.00 50.55 C ATOM 495 OE1 GLN A 31 43.211 29.248 17.779 1.00 49.45 O flip ATOM 496 NE2 GLN A 31 44.019 28.764 15.736 1.00 49.38 N flip ATOM 0 H GLN A 31 38.986 29.477 13.999 1.00 49.53 H new ATOM 0 HA GLN A 31 40.315 31.920 14.809 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.468 29.648 15.939 1.00 49.82 H new ATOM 0 HB3 GLN A 31 41.469 29.113 14.605 1.00 49.82 H new ATOM 0 HG2 GLN A 31 42.994 31.129 15.187 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.100 31.205 16.692 1.00 49.82 H new ATOM 0 HE21 GLN A 31 44.044 28.945 14.732 1.00 49.38 H new ATOM 0 HE22 GLN A 31 44.600 28.027 16.136 1.00 49.38 H new ATOM 505 N ASP A 32 41.068 30.619 11.978 1.00 49.53 N ATOM 506 CA ASP A 32 41.826 30.807 10.720 1.00 50.07 C ATOM 507 C ASP A 32 41.343 32.104 10.108 1.00 50.51 C ATOM 508 O ASP A 32 42.011 32.762 9.276 1.00 49.49 O ATOM 509 CB ASP A 32 41.604 29.635 9.760 1.00 49.72 C ATOM 510 CG ASP A 32 42.684 29.480 8.697 1.00 50.62 C ATOM 511 OD1 ASP A 32 43.747 29.008 9.025 1.00 49.24 O ATOM 512 OD2 ASP A 32 42.388 29.683 7.544 1.00 49.24 O ATOM 0 H ASP A 32 40.306 29.943 11.924 1.00 49.53 H new ATOM 0 HA ASP A 32 42.897 30.846 10.919 1.00 50.07 H new ATOM 0 HB2 ASP A 32 41.546 28.713 10.339 1.00 49.72 H new ATOM 0 HB3 ASP A 32 40.641 29.763 9.266 1.00 49.72 H new ATOM 517 N LYS A 33 40.124 32.544 10.474 1.00 49.53 N ATOM 518 CA LYS A 33 39.628 33.767 9.788 1.00 50.07 C ATOM 519 C LYS A 33 39.411 34.980 10.622 1.00 50.51 C ATOM 520 O LYS A 33 39.502 36.111 10.030 1.00 49.49 O ATOM 521 CB LYS A 33 38.332 33.443 9.042 1.00 49.82 C ATOM 522 CG LYS A 33 38.503 32.478 7.875 1.00 49.82 C ATOM 523 CD LYS A 33 39.348 33.091 6.769 1.00 49.82 C ATOM 524 CE LYS A 33 38.553 34.106 5.961 1.00 50.21 C ATOM 525 NZ LYS A 33 39.349 34.669 4.837 1.00 49.70 N ATOM 0 H LYS A 33 39.509 32.125 11.172 1.00 49.53 H new ATOM 0 HA LYS A 33 40.448 34.039 9.124 1.00 50.07 H new ATOM 0 HB2 LYS A 33 37.617 33.019 9.747 1.00 49.82 H new ATOM 0 HB3 LYS A 33 37.899 34.372 8.670 1.00 49.82 H new ATOM 0 HG2 LYS A 33 38.972 31.559 8.226 1.00 49.82 H new ATOM 0 HG3 LYS A 33 37.525 32.206 7.479 1.00 49.82 H new ATOM 0 HD2 LYS A 33 40.223 33.574 7.203 1.00 49.82 H new ATOM 0 HD3 LYS A 33 39.713 32.304 6.109 1.00 49.82 H new ATOM 0 HE2 LYS A 33 37.654 33.632 5.567 1.00 50.21 H new ATOM 0 HE3 LYS A 33 38.227 34.915 6.615 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 38.771 35.356 4.312 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 40.194 35.144 5.214 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 39.639 33.901 4.198 1.00 49.70 H new ATOM 539 N GLU A 34 39.254 34.936 11.915 1.00 49.53 N ATOM 540 CA GLU A 34 39.044 36.082 12.771 1.00 50.07 C ATOM 541 C GLU A 34 40.148 36.137 13.796 1.00 50.51 C ATOM 542 O GLU A 34 40.364 37.191 14.403 1.00 49.49 O ATOM 543 CB GLU A 34 37.678 36.005 13.458 1.00 49.82 C ATOM 544 CG GLU A 34 37.373 37.176 14.380 1.00 49.72 C ATOM 545 CD GLU A 34 35.904 37.256 14.693 1.00 50.62 C ATOM 546 OE1 GLU A 34 35.159 36.468 14.161 1.00 49.24 O ATOM 547 OE2 GLU A 34 35.541 38.028 15.549 1.00 49.24 O ATOM 0 H GLU A 34 39.269 34.057 12.432 1.00 49.53 H new ATOM 0 HA GLU A 34 39.060 36.989 12.167 1.00 50.07 H new ATOM 0 HB2 GLU A 34 36.903 35.948 12.694 1.00 49.82 H new ATOM 0 HB3 GLU A 34 37.626 35.081 14.034 1.00 49.82 H new ATOM 0 HG2 GLU A 34 37.939 37.070 15.305 1.00 49.72 H new ATOM 0 HG3 GLU A 34 37.698 38.105 13.912 1.00 49.72 H new ATOM 554 N GLY A 35 40.799 35.017 14.058 1.00 49.53 N ATOM 555 CA GLY A 35 41.919 34.957 14.961 1.00 49.98 C ATOM 556 C GLY A 35 41.397 34.837 16.337 1.00 50.51 C ATOM 557 O GLY A 35 41.992 35.407 17.290 1.00 49.49 O ATOM 0 H GLY A 35 40.557 34.118 13.642 1.00 49.53 H new ATOM 0 HA2 GLY A 35 42.556 34.106 14.721 1.00 49.98 H new ATOM 0 HA3 GLY A 35 42.533 35.852 14.864 1.00 49.98 H new ATOM 561 N ILE A 36 40.324 34.051 16.537 1.00 49.53 N ATOM 562 CA ILE A 36 39.792 33.911 17.902 1.00 50.07 C ATOM 563 C ILE A 36 39.982 32.461 18.310 1.00 50.51 C ATOM 564 O ILE A 36 39.479 31.540 17.640 1.00 49.49 O ATOM 565 CB ILE A 36 38.301 34.286 17.984 1.00 49.91 C ATOM 566 CG1 ILE A 36 38.059 35.656 17.344 1.00 49.82 C ATOM 567 CG2 ILE A 36 37.829 34.280 19.430 1.00 49.73 C ATOM 568 CD1 ILE A 36 38.826 36.780 18.001 1.00 49.73 C ATOM 0 H ILE A 36 39.831 33.529 15.813 1.00 49.53 H new ATOM 0 HA ILE A 36 40.323 34.590 18.569 1.00 50.07 H new ATOM 0 HB ILE A 36 37.726 33.542 17.433 1.00 49.91 H new ATOM 0 HG12 ILE A 36 38.334 35.608 16.290 1.00 49.82 H new ATOM 0 HG13 ILE A 36 36.994 35.883 17.385 1.00 49.82 H new ATOM 0 HG21 ILE A 36 36.773 34.547 19.469 1.00 49.73 H new ATOM 0 HG22 ILE A 36 37.968 33.285 19.854 1.00 49.73 H new ATOM 0 HG23 ILE A 36 38.408 35.003 20.005 1.00 49.73 H new ATOM 0 HD11 ILE A 36 38.603 37.718 17.493 1.00 49.73 H new ATOM 0 HD12 ILE A 36 38.534 36.856 19.048 1.00 49.73 H new ATOM 0 HD13 ILE A 36 39.895 36.577 17.936 1.00 49.73 H new ATOM 580 N PRO A 37 40.681 32.231 19.415 1.00 49.71 N ATOM 581 CA PRO A 37 40.918 30.880 19.955 1.00 50.02 C ATOM 582 C PRO A 37 39.605 30.165 20.216 1.00 50.51 C ATOM 583 O PRO A 37 38.689 30.798 20.803 1.00 49.49 O ATOM 584 CB PRO A 37 41.611 31.230 21.306 1.00 49.82 C ATOM 585 CG PRO A 37 42.347 32.501 21.003 1.00 49.82 C ATOM 586 CD PRO A 37 41.300 33.307 20.246 1.00 50.00 C ATOM 0 HA PRO A 37 41.487 30.224 19.296 1.00 50.02 H new ATOM 0 HB2 PRO A 37 40.884 31.368 22.106 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.290 30.439 21.625 1.00 49.82 H new ATOM 0 HG2 PRO A 37 42.673 33.009 21.911 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.237 32.322 20.400 1.00 49.82 H new ATOM 0 HD2 PRO A 37 40.580 33.782 20.913 1.00 50.00 H new ATOM 0 HD3 PRO A 37 41.743 34.097 19.639 1.00 50.00 H new ATOM 594 N PRO A 38 39.491 28.907 19.870 1.00 49.71 N ATOM 595 CA PRO A 38 38.231 28.179 20.092 1.00 50.02 C ATOM 596 C PRO A 38 37.785 28.177 21.529 1.00 50.51 C ATOM 597 O PRO A 38 36.566 28.172 21.850 1.00 49.49 O ATOM 598 CB PRO A 38 38.506 26.798 19.503 1.00 49.82 C ATOM 599 CG PRO A 38 39.539 27.087 18.418 1.00 49.82 C ATOM 600 CD PRO A 38 40.481 28.063 19.156 1.00 50.00 C ATOM 0 HA PRO A 38 37.377 28.654 19.609 1.00 50.02 H new ATOM 0 HB2 PRO A 38 38.892 26.108 20.254 1.00 49.82 H new ATOM 0 HB3 PRO A 38 37.603 26.348 19.091 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.055 26.185 18.090 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.091 27.537 17.532 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.157 27.549 19.839 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.100 28.641 18.469 1.00 50.00 H new ATOM 608 N ASP A 39 38.708 28.185 22.461 1.00 49.53 N ATOM 609 CA ASP A 39 38.346 28.127 23.904 1.00 50.07 C ATOM 610 C ASP A 39 37.902 29.472 24.463 1.00 50.51 C ATOM 611 O ASP A 39 37.387 29.597 25.608 1.00 49.49 O ATOM 612 CB ASP A 39 39.522 27.590 24.722 1.00 49.72 C ATOM 613 CG ASP A 39 40.867 28.216 24.377 1.00 50.62 C ATOM 614 OD1 ASP A 39 41.004 29.405 24.540 1.00 49.24 O ATOM 615 OD2 ASP A 39 41.789 27.484 24.108 1.00 49.24 O ATOM 0 H ASP A 39 39.710 28.230 22.275 1.00 49.53 H new ATOM 0 HA ASP A 39 37.494 27.451 23.984 1.00 50.07 H new ATOM 0 HB2 ASP A 39 39.319 27.756 25.780 1.00 49.72 H new ATOM 0 HB3 ASP A 39 39.589 26.512 24.575 1.00 49.72 H new ATOM 620 N GLN A 40 37.988 30.511 23.648 1.00 49.53 N ATOM 621 CA GLN A 40 37.548 31.848 24.112 1.00 50.07 C ATOM 622 C GLN A 40 36.126 32.079 23.566 1.00 50.51 C ATOM 623 O GLN A 40 35.492 33.051 23.958 1.00 49.49 O ATOM 624 CB GLN A 40 38.496 32.942 23.616 1.00 49.82 C ATOM 625 CG GLN A 40 39.937 32.768 24.065 1.00 49.82 C ATOM 626 CD GLN A 40 40.130 33.098 25.534 1.00 50.55 C ATOM 627 OE1 GLN A 40 39.332 32.696 26.385 1.00 49.45 O ATOM 628 NE2 GLN A 40 41.191 33.837 25.839 1.00 49.38 N ATOM 0 H GLN A 40 38.343 30.476 22.692 1.00 49.53 H new ATOM 0 HA GLN A 40 37.555 31.889 25.201 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.467 32.966 22.527 1.00 49.82 H new ATOM 0 HB3 GLN A 40 38.132 33.908 23.966 1.00 49.82 H new ATOM 0 HG2 GLN A 40 40.250 31.740 23.882 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.582 33.409 23.464 1.00 49.82 H new ATOM 0 HE21 GLN A 40 41.825 34.148 25.103 1.00 49.38 H new ATOM 0 HE22 GLN A 40 41.372 34.094 26.809 1.00 49.38 H new ATOM 637 N GLN A 41 35.685 31.264 22.634 1.00 49.53 N ATOM 638 CA GLN A 41 34.396 31.400 22.001 1.00 50.07 C ATOM 639 C GLN A 41 33.225 30.739 22.699 1.00 50.51 C ATOM 640 O GLN A 41 33.139 29.540 22.916 1.00 49.49 O ATOM 641 CB GLN A 41 34.470 30.873 20.565 1.00 49.82 C ATOM 642 CG GLN A 41 35.299 31.735 19.628 1.00 49.82 C ATOM 643 CD GLN A 41 35.296 31.211 18.205 1.00 50.55 C ATOM 644 OE1 GLN A 41 34.357 31.455 17.442 1.00 49.45 O ATOM 645 NE2 GLN A 41 36.345 30.483 17.840 1.00 49.38 N ATOM 0 H GLN A 41 36.226 30.471 22.289 1.00 49.53 H new ATOM 0 HA GLN A 41 34.189 32.469 22.048 1.00 50.07 H new ATOM 0 HB2 GLN A 41 34.888 29.867 20.580 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.459 30.792 20.167 1.00 49.82 H new ATOM 0 HG2 GLN A 41 34.911 32.754 19.638 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.325 31.781 19.993 1.00 49.82 H new ATOM 0 HE21 GLN A 41 37.099 30.306 18.504 1.00 49.38 H new ATOM 0 HE22 GLN A 41 36.397 30.101 16.896 1.00 49.38 H new ATOM 654 N ARG A 42 32.175 31.535 22.891 1.00 49.53 N ATOM 655 CA ARG A 42 30.876 30.998 23.408 1.00 50.07 C ATOM 656 C ARG A 42 29.947 30.920 22.215 1.00 50.51 C ATOM 657 O ARG A 42 29.952 31.932 21.406 1.00 49.49 O ATOM 658 CB ARG A 42 30.298 31.831 24.541 1.00 49.82 C ATOM 659 CG ARG A 42 31.218 32.007 25.739 1.00 49.82 C ATOM 660 CD ARG A 42 30.567 32.618 26.926 1.00 50.20 C ATOM 661 NE ARG A 42 29.534 31.797 27.537 1.00 49.30 N ATOM 662 CZ ARG A 42 28.709 32.210 28.519 1.00 50.64 C ATOM 663 NH1 ARG A 42 28.817 33.416 29.030 1.00 49.20 N ATOM 664 NH2 ARG A 42 27.805 31.361 28.973 1.00 49.20 N ATOM 0 H ARG A 42 32.176 32.538 22.706 1.00 49.53 H new ATOM 0 HA ARG A 42 31.021 30.014 23.854 1.00 50.07 H new ATOM 0 HB2 ARG A 42 30.038 32.816 24.153 1.00 49.82 H new ATOM 0 HB3 ARG A 42 29.371 31.367 24.878 1.00 49.82 H new ATOM 0 HG2 ARG A 42 31.619 31.033 26.020 1.00 49.82 H new ATOM 0 HG3 ARG A 42 32.064 32.627 25.444 1.00 49.82 H new ATOM 0 HD2 ARG A 42 31.331 32.834 27.673 1.00 50.20 H new ATOM 0 HD3 ARG A 42 30.129 33.572 26.633 1.00 50.20 H new ATOM 0 HE ARG A 42 29.426 30.841 27.198 1.00 49.30 H new ATOM 0 HH11 ARG A 42 29.533 34.054 28.684 1.00 49.20 H new ATOM 0 HH12 ARG A 42 28.185 33.714 29.773 1.00 49.20 H new ATOM 0 HH21 ARG A 42 27.745 30.421 28.581 1.00 49.20 H new ATOM 0 HH22 ARG A 42 27.166 31.645 29.716 1.00 49.20 H new ATOM 678 N LEU A 43 29.241 29.810 22.007 1.00 49.53 N ATOM 679 CA LEU A 43 28.361 29.674 20.819 1.00 50.07 C ATOM 680 C LEU A 43 27.011 29.118 21.259 1.00 50.51 C ATOM 681 O LEU A 43 26.938 27.935 21.615 1.00 49.49 O ATOM 682 CB LEU A 43 29.009 28.761 19.770 1.00 49.82 C ATOM 683 CG LEU A 43 30.352 29.255 19.215 1.00 49.91 C ATOM 684 CD1 LEU A 43 31.038 28.138 18.440 1.00 49.73 C ATOM 685 CD2 LEU A 43 30.120 30.466 18.325 1.00 49.73 C ATOM 0 H LEU A 43 29.251 28.999 22.625 1.00 49.53 H new ATOM 0 HA LEU A 43 28.215 30.653 20.362 1.00 50.07 H new ATOM 0 HB2 LEU A 43 29.157 27.775 20.211 1.00 49.82 H new ATOM 0 HB3 LEU A 43 28.314 28.638 18.939 1.00 49.82 H new ATOM 0 HG LEU A 43 31.002 29.547 20.040 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.990 28.497 18.050 1.00 49.73 H new ATOM 0 HD12 LEU A 43 31.214 27.290 19.102 1.00 49.73 H new ATOM 0 HD13 LEU A 43 30.401 27.825 17.612 1.00 49.73 H new ATOM 0 HD21 LEU A 43 31.074 30.816 17.931 1.00 49.73 H new ATOM 0 HD22 LEU A 43 29.466 30.190 17.498 1.00 49.73 H new ATOM 0 HD23 LEU A 43 29.654 31.261 18.907 1.00 49.73 H new ATOM 697 N ILE A 44 26.013 29.995 21.311 1.00 49.53 N ATOM 698 CA ILE A 44 24.671 29.644 21.759 1.00 50.07 C ATOM 699 C ILE A 44 23.642 29.526 20.641 1.00 50.51 C ATOM 700 O ILE A 44 23.590 30.314 19.720 1.00 49.49 O ATOM 701 CB ILE A 44 24.153 30.658 22.795 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.147 30.795 23.951 1.00 49.82 C ATOM 703 CG2 ILE A 44 22.785 30.240 23.311 1.00 49.73 C ATOM 704 CD1 ILE A 44 24.705 31.764 25.025 1.00 49.73 C ATOM 0 H ILE A 44 26.114 30.974 21.042 1.00 49.53 H new ATOM 0 HA ILE A 44 24.781 28.654 22.202 1.00 50.07 H new ATOM 0 HB ILE A 44 24.054 31.629 22.310 1.00 49.91 H new ATOM 0 HG12 ILE A 44 25.303 29.815 24.401 1.00 49.82 H new ATOM 0 HG13 ILE A 44 26.109 31.121 23.554 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.434 30.968 24.042 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.082 30.193 22.480 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.858 29.259 23.781 1.00 49.73 H new ATOM 0 HD11 ILE A 44 25.461 31.807 25.810 1.00 49.73 H new ATOM 0 HD12 ILE A 44 24.576 32.755 24.590 1.00 49.73 H new ATOM 0 HD13 ILE A 44 23.759 31.429 25.450 1.00 49.73 H new ATOM 716 N PHE A 45 22.775 28.488 20.780 1.00 49.53 N ATOM 717 CA PHE A 45 21.686 28.261 19.816 1.00 50.07 C ATOM 718 C PHE A 45 20.333 27.893 20.453 1.00 50.51 C ATOM 719 O PHE A 45 20.210 26.961 21.247 1.00 49.49 O ATOM 720 CB PHE A 45 22.091 27.175 18.818 1.00 49.82 C ATOM 721 CG PHE A 45 20.997 26.786 17.866 1.00 50.00 C ATOM 722 CD1 PHE A 45 20.702 27.579 16.767 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.260 25.629 18.066 1.00 49.88 C ATOM 724 CE1 PHE A 45 19.694 27.224 15.890 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.253 25.271 17.191 1.00 49.88 C ATOM 726 CZ PHE A 45 18.970 26.069 16.101 1.00 49.88 C ATOM 0 H PHE A 45 22.814 27.810 21.541 1.00 49.53 H new ATOM 0 HA PHE A 45 21.534 29.217 19.315 1.00 50.07 H new ATOM 0 HB2 PHE A 45 22.951 27.523 18.246 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.412 26.291 19.368 1.00 49.82 H new ATOM 0 HD1 PHE A 45 21.266 28.484 16.594 1.00 49.88 H new ATOM 0 HD2 PHE A 45 20.476 25.000 18.917 1.00 49.88 H new ATOM 0 HE1 PHE A 45 19.473 27.851 15.039 1.00 49.88 H new ATOM 0 HE2 PHE A 45 18.687 24.367 17.360 1.00 49.88 H new ATOM 0 HZ PHE A 45 18.184 25.790 15.415 1.00 49.88 H new ATOM 736 N ALA A 46 19.365 28.684 20.055 1.00 49.53 N ATOM 737 CA ALA A 46 17.959 28.515 20.471 1.00 50.07 C ATOM 738 C ALA A 46 17.919 28.401 21.988 1.00 50.51 C ATOM 739 O ALA A 46 17.013 27.790 22.574 1.00 49.49 O ATOM 740 CB ALA A 46 17.355 27.309 19.825 1.00 49.73 C ATOM 0 H ALA A 46 19.514 29.475 19.428 1.00 49.53 H new ATOM 0 HA ALA A 46 17.372 29.377 20.153 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.319 27.205 20.146 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.389 27.421 18.741 1.00 49.73 H new ATOM 0 HB3 ALA A 46 17.916 26.421 20.116 1.00 49.73 H new ATOM 746 N GLY A 47 18.934 28.945 22.594 1.00 49.53 N ATOM 747 CA GLY A 47 19.205 29.006 23.999 1.00 49.98 C ATOM 748 C GLY A 47 20.021 27.847 24.509 1.00 50.51 C ATOM 749 O GLY A 47 20.656 27.962 25.581 1.00 49.49 O ATOM 0 H GLY A 47 19.669 29.405 22.057 1.00 49.53 H new ATOM 0 HA2 GLY A 47 19.732 29.934 24.218 1.00 49.98 H new ATOM 0 HA3 GLY A 47 18.260 29.040 24.541 1.00 49.98 H new ATOM 753 N LYS A 48 20.078 26.767 23.777 1.00 49.53 N ATOM 754 CA LYS A 48 20.884 25.599 24.156 1.00 50.07 C ATOM 755 C LYS A 48 22.371 25.913 23.899 1.00 50.51 C ATOM 756 O LYS A 48 22.681 26.402 22.824 1.00 49.49 O ATOM 757 CB LYS A 48 20.454 24.362 23.366 1.00 49.82 C ATOM 758 CG LYS A 48 19.047 23.872 23.682 1.00 49.82 C ATOM 759 CD LYS A 48 18.698 22.632 22.873 1.00 49.82 C ATOM 760 CE LYS A 48 17.278 22.165 23.158 1.00 50.21 C ATOM 761 NZ LYS A 48 16.915 20.966 22.356 1.00 49.70 N ATOM 0 H LYS A 48 19.573 26.655 22.898 1.00 49.53 H new ATOM 0 HA LYS A 48 20.732 25.385 25.214 1.00 50.07 H new ATOM 0 HB2 LYS A 48 20.517 24.586 22.301 1.00 49.82 H new ATOM 0 HB3 LYS A 48 21.160 23.555 23.565 1.00 49.82 H new ATOM 0 HG2 LYS A 48 18.968 23.649 24.746 1.00 49.82 H new ATOM 0 HG3 LYS A 48 18.328 24.663 23.468 1.00 49.82 H new ATOM 0 HD2 LYS A 48 18.805 22.847 21.810 1.00 49.82 H new ATOM 0 HD3 LYS A 48 19.400 21.832 23.109 1.00 49.82 H new ATOM 0 HE2 LYS A 48 17.178 21.936 24.219 1.00 50.21 H new ATOM 0 HE3 LYS A 48 16.580 22.973 22.939 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 15.940 20.681 22.580 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 16.986 21.191 21.343 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 17.565 20.187 22.583 1.00 49.70 H new ATOM 775 N GLN A 49 23.225 25.627 24.846 1.00 49.53 N ATOM 776 CA GLN A 49 24.687 25.796 24.610 1.00 50.07 C ATOM 777 C GLN A 49 25.114 24.699 23.638 1.00 50.51 C ATOM 778 O GLN A 49 24.695 23.527 23.830 1.00 49.49 O ATOM 779 CB GLN A 49 25.471 25.685 25.920 1.00 49.82 C ATOM 780 CG GLN A 49 25.476 24.293 26.528 1.00 49.82 C ATOM 781 CD GLN A 49 26.027 24.280 27.942 1.00 50.55 C ATOM 782 OE1 GLN A 49 27.241 24.359 28.151 1.00 49.45 O ATOM 783 NE2 GLN A 49 25.137 24.177 28.922 1.00 49.38 N ATOM 0 H GLN A 49 22.972 25.284 25.773 1.00 49.53 H new ATOM 0 HA GLN A 49 24.893 26.784 24.198 1.00 50.07 H new ATOM 0 HB2 GLN A 49 26.501 25.995 25.741 1.00 49.82 H new ATOM 0 HB3 GLN A 49 25.049 26.383 26.643 1.00 49.82 H new ATOM 0 HG2 GLN A 49 24.460 23.899 26.534 1.00 49.82 H new ATOM 0 HG3 GLN A 49 26.072 23.629 25.903 1.00 49.82 H new ATOM 0 HE21 GLN A 49 24.143 24.114 28.703 1.00 49.38 H new ATOM 0 HE22 GLN A 49 25.448 24.161 29.893 1.00 49.38 H new ATOM 792 N LEU A 50 25.819 25.049 22.590 1.00 49.53 N ATOM 793 CA LEU A 50 26.208 24.089 21.544 1.00 50.07 C ATOM 794 C LEU A 50 27.341 23.241 22.097 1.00 50.51 C ATOM 795 O LEU A 50 28.323 23.818 22.521 1.00 49.49 O ATOM 796 CB LEU A 50 26.642 24.821 20.268 1.00 49.82 C ATOM 797 CG LEU A 50 25.554 25.674 19.603 1.00 49.91 C ATOM 798 CD1 LEU A 50 26.174 26.582 18.549 1.00 49.73 C ATOM 799 CD2 LEU A 50 24.505 24.765 18.980 1.00 49.73 C ATOM 0 H LEU A 50 26.146 26.000 22.423 1.00 49.53 H new ATOM 0 HA LEU A 50 25.362 23.457 21.275 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.490 25.463 20.507 1.00 49.82 H new ATOM 0 HB3 LEU A 50 26.994 24.083 19.547 1.00 49.82 H new ATOM 0 HG LEU A 50 25.074 26.301 20.354 1.00 49.91 H new ATOM 0 HD11 LEU A 50 25.394 27.184 18.083 1.00 49.73 H new ATOM 0 HD12 LEU A 50 26.906 27.239 19.019 1.00 49.73 H new ATOM 0 HD13 LEU A 50 26.667 25.975 17.790 1.00 49.73 H new ATOM 0 HD21 LEU A 50 23.732 25.372 18.508 1.00 49.73 H new ATOM 0 HD22 LEU A 50 24.975 24.128 18.231 1.00 49.73 H new ATOM 0 HD23 LEU A 50 24.056 24.144 19.755 1.00 49.73 H new ATOM 811 N GLU A 51 27.190 21.917 22.058 1.00 49.53 N ATOM 812 CA GLU A 51 28.225 21.026 22.623 1.00 50.07 C ATOM 813 C GLU A 51 29.270 20.653 21.607 1.00 50.51 C ATOM 814 O GLU A 51 28.913 20.279 20.493 1.00 49.49 O ATOM 815 CB GLU A 51 27.582 19.761 23.198 1.00 49.82 C ATOM 816 CG GLU A 51 26.960 19.943 24.576 1.00 49.72 C ATOM 817 CD GLU A 51 27.998 20.309 25.599 1.00 50.62 C ATOM 818 OE1 GLU A 51 28.959 19.589 25.726 1.00 49.24 O ATOM 819 OE2 GLU A 51 27.888 21.364 26.177 1.00 49.24 O ATOM 0 H GLU A 51 26.385 21.439 21.654 1.00 49.53 H new ATOM 0 HA GLU A 51 28.723 21.577 23.421 1.00 50.07 H new ATOM 0 HB2 GLU A 51 26.813 19.413 22.508 1.00 49.82 H new ATOM 0 HB3 GLU A 51 28.337 18.977 23.254 1.00 49.82 H new ATOM 0 HG2 GLU A 51 26.198 20.721 24.534 1.00 49.72 H new ATOM 0 HG3 GLU A 51 26.459 19.022 24.876 1.00 49.72 H new ATOM 826 N ASP A 52 30.538 20.729 21.922 1.00 49.53 N ATOM 827 CA ASP A 52 31.664 20.487 21.026 1.00 50.07 C ATOM 828 C ASP A 52 31.698 19.138 20.328 1.00 50.51 C ATOM 829 O ASP A 52 32.300 19.048 19.221 1.00 49.49 O ATOM 830 CB ASP A 52 32.978 20.689 21.784 1.00 49.72 C ATOM 831 CG ASP A 52 33.287 22.139 22.135 1.00 50.62 C ATOM 832 OD1 ASP A 52 33.175 22.975 21.270 1.00 49.24 O ATOM 833 OD2 ASP A 52 33.477 22.422 23.293 1.00 49.24 O ATOM 0 H ASP A 52 30.841 20.975 22.864 1.00 49.53 H new ATOM 0 HA ASP A 52 31.529 21.214 20.225 1.00 50.07 H new ATOM 0 HB2 ASP A 52 32.946 20.104 22.703 1.00 49.72 H new ATOM 0 HB3 ASP A 52 33.795 20.292 21.182 1.00 49.72 H new ATOM 838 N GLY A 53 31.248 18.095 20.988 1.00 49.53 N ATOM 839 CA GLY A 53 31.267 16.713 20.473 1.00 49.98 C ATOM 840 C GLY A 53 30.077 16.287 19.678 1.00 50.51 C ATOM 841 O GLY A 53 29.857 15.075 19.454 1.00 49.49 O ATOM 0 H GLY A 53 30.845 18.169 21.922 1.00 49.53 H new ATOM 0 HA2 GLY A 53 32.155 16.591 19.852 1.00 49.98 H new ATOM 0 HA3 GLY A 53 31.374 16.034 21.319 1.00 49.98 H new ATOM 845 N ARG A 54 29.258 17.212 19.190 1.00 49.53 N ATOM 846 CA ARG A 54 28.106 16.872 18.332 1.00 50.07 C ATOM 847 C ARG A 54 28.246 17.604 17.005 1.00 50.51 C ATOM 848 O ARG A 54 28.788 18.728 16.954 1.00 49.49 O ATOM 849 CB ARG A 54 26.773 17.162 19.003 1.00 49.82 C ATOM 850 CG ARG A 54 26.392 16.197 20.114 1.00 49.82 C ATOM 851 CD ARG A 54 25.237 16.636 20.938 1.00 50.20 C ATOM 852 NE ARG A 54 24.809 15.672 21.939 1.00 49.30 N ATOM 853 CZ ARG A 54 25.318 15.583 23.183 1.00 50.64 C ATOM 854 NH1 ARG A 54 26.297 16.370 23.573 1.00 49.20 N ATOM 855 NH2 ARG A 54 24.823 14.665 23.995 1.00 49.20 N ATOM 0 H ARG A 54 29.363 18.211 19.369 1.00 49.53 H new ATOM 0 HA ARG A 54 28.111 15.797 18.152 1.00 50.07 H new ATOM 0 HB2 ARG A 54 26.801 18.172 19.413 1.00 49.82 H new ATOM 0 HB3 ARG A 54 25.990 17.147 18.245 1.00 49.82 H new ATOM 0 HG2 ARG A 54 26.161 15.227 19.673 1.00 49.82 H new ATOM 0 HG3 ARG A 54 27.254 16.053 20.766 1.00 49.82 H new ATOM 0 HD2 ARG A 54 25.498 17.569 21.438 1.00 50.20 H new ATOM 0 HD3 ARG A 54 24.397 16.852 20.278 1.00 50.20 H new ATOM 0 HE ARG A 54 24.071 15.017 21.681 1.00 49.30 H new ATOM 0 HH11 ARG A 54 26.683 17.061 22.930 1.00 49.20 H new ATOM 0 HH12 ARG A 54 26.671 16.289 24.519 1.00 49.20 H new ATOM 0 HH21 ARG A 54 24.077 14.049 23.673 1.00 49.20 H new ATOM 0 HH22 ARG A 54 25.188 14.573 24.943 1.00 49.20 H new ATOM 869 N THR A 55 27.690 17.038 15.962 1.00 49.53 N ATOM 870 CA THR A 55 27.672 17.634 14.607 1.00 50.07 C ATOM 871 C THR A 55 26.563 18.697 14.419 1.00 50.51 C ATOM 872 O THR A 55 25.651 18.791 15.232 1.00 49.49 O ATOM 873 CB THR A 55 27.504 16.551 13.525 1.00 50.14 C ATOM 874 OG1 THR A 55 26.235 15.905 13.684 1.00 49.34 O ATOM 875 CG2 THR A 55 28.613 15.516 13.630 1.00 49.73 C ATOM 0 H THR A 55 27.223 16.133 16.010 1.00 49.53 H new ATOM 0 HA THR A 55 28.636 18.131 14.499 1.00 50.07 H new ATOM 0 HB THR A 55 27.556 17.026 12.546 1.00 50.14 H new ATOM 0 HG1 THR A 55 26.186 15.495 14.573 1.00 49.34 H new ATOM 0 HG21 THR A 55 28.478 14.759 12.858 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.579 16.003 13.496 1.00 49.73 H new ATOM 0 HG23 THR A 55 28.578 15.043 14.612 1.00 49.73 H new ATOM 883 N LEU A 56 26.690 19.467 13.357 1.00 49.53 N ATOM 884 CA LEU A 56 25.690 20.487 12.999 1.00 50.07 C ATOM 885 C LEU A 56 24.401 19.779 12.593 1.00 50.51 C ATOM 886 O LEU A 56 23.361 20.372 12.711 1.00 49.49 O ATOM 887 CB LEU A 56 26.208 21.375 11.861 1.00 49.82 C ATOM 888 CG LEU A 56 26.852 22.695 12.304 1.00 49.91 C ATOM 889 CD1 LEU A 56 27.225 22.624 13.778 1.00 49.73 C ATOM 890 CD2 LEU A 56 28.079 22.974 11.449 1.00 49.73 C ATOM 0 H LEU A 56 27.479 19.414 12.713 1.00 49.53 H new ATOM 0 HA LEU A 56 25.498 21.134 13.855 1.00 50.07 H new ATOM 0 HB2 LEU A 56 26.939 20.809 11.283 1.00 49.82 H new ATOM 0 HB3 LEU A 56 25.378 21.601 11.191 1.00 49.82 H new ATOM 0 HG LEU A 56 26.140 23.510 12.172 1.00 49.91 H new ATOM 0 HD11 LEU A 56 27.682 23.565 14.084 1.00 49.73 H new ATOM 0 HD12 LEU A 56 26.329 22.446 14.372 1.00 49.73 H new ATOM 0 HD13 LEU A 56 27.932 21.810 13.935 1.00 49.73 H new ATOM 0 HD21 LEU A 56 28.536 23.912 11.764 1.00 49.73 H new ATOM 0 HD22 LEU A 56 28.797 22.162 11.567 1.00 49.73 H new ATOM 0 HD23 LEU A 56 27.784 23.048 10.402 1.00 49.73 H new ATOM 902 N SER A 57 24.491 18.478 12.252 1.00 49.53 N ATOM 903 CA SER A 57 23.238 17.793 11.845 1.00 50.07 C ATOM 904 C SER A 57 22.300 17.374 12.957 1.00 50.51 C ATOM 905 O SER A 57 21.050 17.328 12.755 1.00 49.49 O ATOM 906 CB SER A 57 23.585 16.580 11.002 1.00 50.05 C ATOM 907 OG SER A 57 22.462 16.054 10.350 1.00 49.34 O ATOM 0 H SER A 57 25.341 17.914 12.246 1.00 49.53 H new ATOM 0 HA SER A 57 22.682 18.548 11.289 1.00 50.07 H new ATOM 0 HB2 SER A 57 24.337 16.856 10.263 1.00 50.05 H new ATOM 0 HB3 SER A 57 24.028 15.812 11.637 1.00 50.05 H new ATOM 0 HG SER A 57 22.728 15.276 9.817 1.00 49.34 H new ATOM 913 N ASP A 58 22.846 17.075 14.122 1.00 49.53 N ATOM 914 CA ASP A 58 22.017 16.657 15.284 1.00 50.07 C ATOM 915 C ASP A 58 21.117 17.679 15.985 1.00 50.51 C ATOM 916 O ASP A 58 20.424 17.389 16.966 1.00 49.49 O ATOM 917 CB ASP A 58 22.921 16.010 16.335 1.00 49.72 C ATOM 918 CG ASP A 58 23.732 14.827 15.825 1.00 50.62 C ATOM 919 OD1 ASP A 58 23.139 13.857 15.416 1.00 49.24 O ATOM 920 OD2 ASP A 58 24.926 14.961 15.702 1.00 49.24 O ATOM 0 H ASP A 58 23.848 17.107 14.308 1.00 49.53 H new ATOM 0 HA ASP A 58 21.298 15.983 14.818 1.00 50.07 H new ATOM 0 HB2 ASP A 58 23.606 16.765 16.722 1.00 49.72 H new ATOM 0 HB3 ASP A 58 22.306 15.679 17.172 1.00 49.72 H new ATOM 925 N TYR A 59 21.290 18.915 15.615 1.00 49.53 N ATOM 926 CA TYR A 59 20.529 20.045 16.143 1.00 50.07 C ATOM 927 C TYR A 59 19.686 20.661 15.050 1.00 50.51 C ATOM 928 O TYR A 59 18.869 21.546 15.374 1.00 49.49 O ATOM 929 CB TYR A 59 21.468 21.095 16.742 1.00 49.82 C ATOM 930 CG TYR A 59 22.045 20.706 18.085 1.00 50.00 C ATOM 931 CD1 TYR A 59 21.220 20.513 19.183 1.00 49.88 C ATOM 932 CD2 TYR A 59 23.411 20.535 18.252 1.00 49.88 C ATOM 933 CE1 TYR A 59 21.740 20.158 20.413 1.00 49.88 C ATOM 934 CE2 TYR A 59 23.943 20.180 19.477 1.00 49.88 C ATOM 935 CZ TYR A 59 23.103 19.993 20.555 1.00 50.11 C ATOM 936 OH TYR A 59 23.627 19.640 21.778 1.00 49.46 O ATOM 0 H TYR A 59 21.982 19.188 14.917 1.00 49.53 H new ATOM 0 HA TYR A 59 19.872 19.680 16.933 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.286 21.277 16.045 1.00 49.82 H new ATOM 0 HB3 TYR A 59 20.926 22.034 16.849 1.00 49.82 H new ATOM 0 HD1 TYR A 59 20.153 20.642 19.075 1.00 49.88 H new ATOM 0 HD2 TYR A 59 24.071 20.682 17.410 1.00 49.88 H new ATOM 0 HE1 TYR A 59 21.084 20.011 21.258 1.00 49.88 H new ATOM 0 HE2 TYR A 59 25.009 20.050 19.590 1.00 49.88 H new ATOM 0 HH TYR A 59 24.601 19.564 21.707 1.00 49.46 H new ATOM 946 N ASN A 60 19.774 20.254 13.801 1.00 49.53 N ATOM 947 CA ASN A 60 18.929 20.883 12.766 1.00 50.07 C ATOM 948 C ASN A 60 19.400 22.271 12.350 1.00 50.51 C ATOM 949 O ASN A 60 18.586 23.170 12.061 1.00 49.49 O ATOM 950 CB ASN A 60 17.478 20.946 13.210 1.00 49.82 C ATOM 951 CG ASN A 60 16.500 21.031 12.072 1.00 50.55 C ATOM 952 OD1 ASN A 60 16.752 20.528 10.970 1.00 49.45 O ATOM 953 ND2 ASN A 60 15.421 21.733 12.306 1.00 49.38 N ATOM 0 H ASN A 60 20.395 19.516 13.469 1.00 49.53 H new ATOM 0 HA ASN A 60 19.019 20.242 11.889 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.251 20.062 13.807 1.00 49.82 H new ATOM 0 HB3 ASN A 60 17.343 21.812 13.858 1.00 49.82 H new ATOM 0 HD21 ASN A 60 14.741 21.887 11.561 1.00 49.38 H new ATOM 0 HD22 ASN A 60 15.260 22.127 13.233 1.00 49.38 H new ATOM 960 N ILE A 61 20.700 22.448 12.232 1.00 49.53 N ATOM 961 CA ILE A 61 21.266 23.741 11.742 1.00 50.07 C ATOM 962 C ILE A 61 21.238 23.651 10.219 1.00 50.51 C ATOM 963 O ILE A 61 21.996 22.769 9.716 1.00 49.49 O ATOM 964 CB ILE A 61 22.708 23.972 12.232 1.00 49.91 C ATOM 965 CG1 ILE A 61 22.724 24.233 13.740 1.00 49.82 C ATOM 966 CG2 ILE A 61 23.345 25.130 11.480 1.00 49.73 C ATOM 967 CD1 ILE A 61 24.085 24.058 14.375 1.00 49.73 C ATOM 0 H ILE A 61 21.397 21.739 12.459 1.00 49.53 H new ATOM 0 HA ILE A 61 20.683 24.579 12.123 1.00 50.07 H new ATOM 0 HB ILE A 61 23.291 23.073 12.033 1.00 49.91 H new ATOM 0 HG12 ILE A 61 22.374 25.248 13.927 1.00 49.82 H new ATOM 0 HG13 ILE A 61 22.018 23.558 14.224 1.00 49.82 H new ATOM 0 HG21 ILE A 61 24.363 25.280 11.838 1.00 49.73 H new ATOM 0 HG22 ILE A 61 23.365 24.904 10.414 1.00 49.73 H new ATOM 0 HG23 ILE A 61 22.764 26.037 11.648 1.00 49.73 H new ATOM 0 HD11 ILE A 61 24.016 24.260 15.444 1.00 49.73 H new ATOM 0 HD12 ILE A 61 24.430 23.036 14.220 1.00 49.73 H new ATOM 0 HD13 ILE A 61 24.791 24.752 13.919 1.00 49.73 H new ATOM 979 N GLN A 62 20.495 24.492 9.557 1.00 49.53 N ATOM 980 CA GLN A 62 20.333 24.459 8.074 1.00 50.07 C ATOM 981 C GLN A 62 20.622 25.854 7.515 1.00 50.51 C ATOM 982 O GLN A 62 21.017 26.754 8.278 1.00 49.49 O ATOM 983 CB GLN A 62 18.917 24.019 7.690 1.00 49.82 C ATOM 984 CG GLN A 62 18.617 22.560 7.985 1.00 49.82 C ATOM 985 CD GLN A 62 19.551 21.618 7.250 1.00 50.55 C ATOM 986 OE1 GLN A 62 19.707 21.701 6.028 1.00 49.45 O ATOM 987 NE2 GLN A 62 20.177 20.710 7.990 1.00 49.38 N ATOM 0 H GLN A 62 19.966 25.239 10.007 1.00 49.53 H new ATOM 0 HA GLN A 62 21.033 23.738 7.652 1.00 50.07 H new ATOM 0 HB2 GLN A 62 18.198 24.641 8.223 1.00 49.82 H new ATOM 0 HB3 GLN A 62 18.768 24.201 6.626 1.00 49.82 H new ATOM 0 HG2 GLN A 62 18.699 22.385 9.058 1.00 49.82 H new ATOM 0 HG3 GLN A 62 17.587 22.339 7.704 1.00 49.82 H new ATOM 0 HE21 GLN A 62 20.019 20.676 8.997 1.00 49.38 H new ATOM 0 HE22 GLN A 62 20.815 20.047 7.551 1.00 49.38 H new ATOM 996 N LYS A 63 20.460 26.043 6.207 1.00 49.53 N ATOM 997 CA LYS A 63 20.765 27.298 5.556 1.00 50.07 C ATOM 998 C LYS A 63 20.344 28.563 6.299 1.00 50.51 C ATOM 999 O LYS A 63 19.240 28.708 6.800 1.00 49.49 O ATOM 1000 CB LYS A 63 20.151 27.313 4.154 1.00 49.82 C ATOM 1001 CG LYS A 63 20.195 28.669 3.463 1.00 49.82 C ATOM 1002 CD LYS A 63 19.722 28.569 2.020 1.00 49.82 C ATOM 1003 CE LYS A 63 18.220 28.335 1.943 1.00 50.21 C ATOM 1004 NZ LYS A 63 17.448 29.512 2.426 1.00 49.70 N ATOM 0 H LYS A 63 20.112 25.323 5.574 1.00 49.53 H new ATOM 0 HA LYS A 63 21.854 27.334 5.530 1.00 50.07 H new ATOM 0 HB2 LYS A 63 20.674 26.585 3.534 1.00 49.82 H new ATOM 0 HB3 LYS A 63 19.113 26.987 4.221 1.00 49.82 H new ATOM 0 HG2 LYS A 63 19.568 29.377 4.005 1.00 49.82 H new ATOM 0 HG3 LYS A 63 21.212 29.060 3.488 1.00 49.82 H new ATOM 0 HD2 LYS A 63 19.977 29.485 1.488 1.00 49.82 H new ATOM 0 HD3 LYS A 63 20.245 27.754 1.520 1.00 49.82 H new ATOM 0 HE2 LYS A 63 17.939 28.115 0.913 1.00 50.21 H new ATOM 0 HE3 LYS A 63 17.958 27.460 2.538 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 16.463 29.439 2.099 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 17.467 29.537 3.466 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 17.874 30.384 2.051 1.00 49.70 H new ATOM 1018 N GLU A 64 21.310 29.493 6.317 1.00 49.53 N ATOM 1019 CA GLU A 64 21.204 30.790 6.933 1.00 50.07 C ATOM 1020 C GLU A 64 20.735 30.837 8.357 1.00 50.51 C ATOM 1021 O GLU A 64 20.041 31.785 8.802 1.00 49.49 O ATOM 1022 CB GLU A 64 20.299 31.686 6.083 1.00 49.82 C ATOM 1023 CG GLU A 64 20.902 32.105 4.750 1.00 49.72 C ATOM 1024 CD GLU A 64 19.901 32.842 3.905 1.00 50.62 C ATOM 1025 OE1 GLU A 64 18.783 32.991 4.336 1.00 49.24 O ATOM 1026 OE2 GLU A 64 20.282 33.354 2.879 1.00 49.24 O ATOM 0 H GLU A 64 22.218 29.339 5.879 1.00 49.53 H new ATOM 0 HA GLU A 64 22.234 31.143 6.975 1.00 50.07 H new ATOM 0 HB2 GLU A 64 19.362 31.162 5.895 1.00 49.82 H new ATOM 0 HB3 GLU A 64 20.054 32.581 6.655 1.00 49.82 H new ATOM 0 HG2 GLU A 64 21.771 32.740 4.925 1.00 49.72 H new ATOM 0 HG3 GLU A 64 21.254 31.223 4.215 1.00 49.72 H new ATOM 1033 N SER A 65 21.242 29.897 9.139 1.00 49.53 N ATOM 1034 CA SER A 65 21.003 29.831 10.586 1.00 50.07 C ATOM 1035 C SER A 65 22.076 30.772 11.181 1.00 50.51 C ATOM 1036 O SER A 65 23.227 30.743 10.760 1.00 49.49 O ATOM 1037 CB SER A 65 21.148 28.413 11.103 1.00 50.05 C ATOM 1038 OG SER A 65 21.030 28.346 12.497 1.00 49.34 O ATOM 0 H SER A 65 21.839 29.147 8.790 1.00 49.53 H new ATOM 0 HA SER A 65 19.992 30.130 10.862 1.00 50.07 H new ATOM 0 HB2 SER A 65 20.388 27.781 10.644 1.00 50.05 H new ATOM 0 HB3 SER A 65 22.117 28.015 10.802 1.00 50.05 H new ATOM 0 HG SER A 65 21.128 27.416 12.789 1.00 49.34 H new ATOM 1044 N THR A 66 21.685 31.598 12.116 1.00 49.53 N ATOM 1045 CA THR A 66 22.612 32.485 12.828 1.00 50.07 C ATOM 1046 C THR A 66 23.167 31.941 14.144 1.00 50.51 C ATOM 1047 O THR A 66 22.367 31.731 15.084 1.00 49.49 O ATOM 1048 CB THR A 66 21.956 33.850 13.110 1.00 50.14 C ATOM 1049 OG1 THR A 66 20.640 33.648 13.644 1.00 49.34 O ATOM 1050 CG2 THR A 66 21.861 34.670 11.834 1.00 49.73 C ATOM 0 H THR A 66 20.715 31.686 12.417 1.00 49.53 H new ATOM 0 HA THR A 66 23.458 32.576 12.147 1.00 50.07 H new ATOM 0 HB THR A 66 22.570 34.390 13.831 1.00 50.14 H new ATOM 0 HG1 THR A 66 20.668 32.944 14.325 1.00 49.34 H new ATOM 0 HG21 THR A 66 21.395 35.631 12.053 1.00 49.73 H new ATOM 0 HG22 THR A 66 22.861 34.835 11.432 1.00 49.73 H new ATOM 0 HG23 THR A 66 21.259 34.133 11.101 1.00 49.73 H new ATOM 1058 N LEU A 67 24.484 31.724 14.221 1.00 49.53 N ATOM 1059 CA LEU A 67 25.094 31.305 15.489 1.00 50.07 C ATOM 1060 C LEU A 67 25.529 32.594 16.218 1.00 50.51 C ATOM 1061 O LEU A 67 25.967 33.487 15.476 1.00 49.49 O ATOM 1062 CB LEU A 67 26.290 30.377 15.240 1.00 49.82 C ATOM 1063 CG LEU A 67 26.018 29.197 14.299 1.00 49.91 C ATOM 1064 CD1 LEU A 67 27.299 28.409 14.066 1.00 49.73 C ATOM 1065 CD2 LEU A 67 24.938 28.308 14.898 1.00 49.73 C ATOM 0 H LEU A 67 25.135 31.828 13.443 1.00 49.53 H new ATOM 0 HA LEU A 67 24.386 30.740 16.096 1.00 50.07 H new ATOM 0 HB2 LEU A 67 27.108 30.968 14.828 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.631 29.985 16.198 1.00 49.82 H new ATOM 0 HG LEU A 67 25.669 29.572 13.337 1.00 49.91 H new ATOM 0 HD11 LEU A 67 27.095 27.573 13.397 1.00 49.73 H new ATOM 0 HD12 LEU A 67 28.050 29.059 13.617 1.00 49.73 H new ATOM 0 HD13 LEU A 67 27.671 28.029 15.018 1.00 49.73 H new ATOM 0 HD21 LEU A 67 24.745 27.469 14.229 1.00 49.73 H new ATOM 0 HD22 LEU A 67 25.272 27.932 15.865 1.00 49.73 H new ATOM 0 HD23 LEU A 67 24.023 28.885 15.030 1.00 49.73 H new ATOM 1077 N HIS A 68 25.259 32.695 17.471 1.00 49.53 N ATOM 1078 CA HIS A 68 25.702 33.899 18.215 1.00 50.07 C ATOM 1079 C HIS A 68 27.081 33.613 18.807 1.00 50.51 C ATOM 1080 O HIS A 68 27.315 32.532 19.389 1.00 49.49 O ATOM 1081 CB HIS A 68 24.707 34.261 19.322 1.00 49.92 C ATOM 1082 CG HIS A 68 23.476 34.952 18.822 1.00 50.22 C ATOM 1083 ND1 HIS A 68 22.615 34.371 17.915 1.00 49.30 N ATOM 1084 CD2 HIS A 68 22.963 36.172 19.101 1.00 49.95 C ATOM 1085 CE1 HIS A 68 21.623 35.207 17.659 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.811 36.306 18.365 1.00 49.64 N ATOM 0 H HIS A 68 24.751 32.001 18.020 1.00 49.53 H new ATOM 0 HA HIS A 68 25.753 34.750 17.536 1.00 50.07 H new ATOM 0 HB2 HIS A 68 24.415 33.352 19.847 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.204 34.903 20.049 1.00 49.92 H new ATOM 0 HD2 HIS A 68 23.381 36.904 19.776 1.00 49.95 H new ATOM 0 HE1 HIS A 68 20.799 35.022 16.986 1.00 50.25 H new ATOM 0 HE2 HIS A 68 21.200 37.123 18.364 1.00 49.64 H new ATOM 1094 N LEU A 69 27.960 34.600 18.766 1.00 49.53 N ATOM 1095 CA LEU A 69 29.287 34.482 19.362 1.00 50.07 C ATOM 1096 C LEU A 69 29.400 35.481 20.474 1.00 50.51 C ATOM 1097 O LEU A 69 29.168 36.710 20.196 1.00 49.49 O ATOM 1098 CB LEU A 69 30.376 34.714 18.307 1.00 49.82 C ATOM 1099 CG LEU A 69 31.773 34.210 18.689 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.543 33.807 17.438 1.00 49.73 C ATOM 1101 CD2 LEU A 69 32.516 35.295 19.454 1.00 49.73 C ATOM 0 H LEU A 69 27.779 35.501 18.323 1.00 49.53 H new ATOM 0 HA LEU A 69 29.426 33.476 19.759 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.072 34.226 17.381 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.437 35.782 18.100 1.00 49.82 H new ATOM 0 HG LEU A 69 31.679 33.333 19.329 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.534 33.450 17.720 1.00 49.73 H new ATOM 0 HD12 LEU A 69 32.005 33.013 16.920 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.642 34.669 16.778 1.00 49.73 H new ATOM 0 HD21 LEU A 69 33.509 34.935 19.725 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.610 36.182 18.828 1.00 49.73 H new ATOM 0 HD23 LEU A 69 31.962 35.547 20.359 1.00 49.73 H new ATOM 1113 N VAL A 70 29.690 35.077 21.667 1.00 49.53 N ATOM 1114 CA VAL A 70 29.919 36.043 22.781 1.00 50.07 C ATOM 1115 C VAL A 70 31.336 35.738 23.291 1.00 50.51 C ATOM 1116 O VAL A 70 31.587 34.599 23.743 1.00 49.49 O ATOM 1117 CB VAL A 70 28.898 35.879 23.921 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.117 36.941 24.988 1.00 49.73 C ATOM 1119 CG2 VAL A 70 27.479 35.954 23.381 1.00 49.73 C ATOM 0 H VAL A 70 29.782 34.096 21.932 1.00 49.53 H new ATOM 0 HA VAL A 70 29.806 37.069 22.430 1.00 50.07 H new ATOM 0 HB VAL A 70 29.043 34.898 24.374 1.00 49.91 H new ATOM 0 HG11 VAL A 70 28.387 36.810 25.787 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.123 36.844 25.397 1.00 49.73 H new ATOM 0 HG13 VAL A 70 28.999 37.930 24.546 1.00 49.73 H new ATOM 0 HG21 VAL A 70 26.771 35.836 24.201 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.322 36.921 22.903 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.325 35.159 22.651 1.00 49.73 H new ATOM 1129 N LEU A 71 32.231 36.694 23.205 1.00 49.53 N ATOM 1130 CA LEU A 71 33.609 36.497 23.705 1.00 50.07 C ATOM 1131 C LEU A 71 33.757 36.274 25.187 1.00 50.51 C ATOM 1132 O LEU A 71 33.195 37.022 26.012 1.00 49.49 O ATOM 1133 CB LEU A 71 34.480 37.686 23.282 1.00 49.82 C ATOM 1134 CG LEU A 71 35.954 37.598 23.698 1.00 49.91 C ATOM 1135 CD1 LEU A 71 36.587 36.342 23.113 1.00 49.73 C ATOM 1136 CD2 LEU A 71 36.691 38.842 23.226 1.00 49.73 C ATOM 0 H LEU A 71 32.052 37.613 22.801 1.00 49.53 H new ATOM 0 HA LEU A 71 33.935 35.562 23.250 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.431 37.784 22.198 1.00 49.82 H new ATOM 0 HB3 LEU A 71 34.054 38.596 23.704 1.00 49.82 H new ATOM 0 HG LEU A 71 36.022 37.541 24.784 1.00 49.91 H new ATOM 0 HD11 LEU A 71 37.633 36.288 23.414 1.00 49.73 H new ATOM 0 HD12 LEU A 71 36.058 35.463 23.481 1.00 49.73 H new ATOM 0 HD13 LEU A 71 36.523 36.375 22.025 1.00 49.73 H new ATOM 0 HD21 LEU A 71 37.738 38.779 23.522 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.624 38.914 22.140 1.00 49.73 H new ATOM 0 HD23 LEU A 71 36.239 39.726 23.677 1.00 49.73 H new ATOM 1148 N ARG A 72 34.542 35.335 25.567 1.00 49.53 N ATOM 1149 CA ARG A 72 34.834 35.038 26.985 1.00 50.07 C ATOM 1150 C ARG A 72 36.316 34.797 27.261 1.00 50.51 C ATOM 1151 O ARG A 72 36.684 33.599 27.034 1.00 49.49 O ATOM 1152 CB ARG A 72 33.987 33.885 27.506 1.00 49.82 C ATOM 1153 CG ARG A 72 33.960 33.745 29.019 1.00 49.82 C ATOM 1154 CD ARG A 72 33.296 32.509 29.507 1.00 50.20 C ATOM 1155 NE ARG A 72 34.000 31.278 29.182 1.00 49.30 N ATOM 1156 CZ ARG A 72 33.437 30.054 29.173 1.00 50.64 C ATOM 1157 NH1 ARG A 72 32.177 29.886 29.506 1.00 49.20 N ATOM 1158 NH2 ARG A 72 34.194 29.022 28.843 1.00 49.20 N ATOM 0 H ARG A 72 35.027 34.719 24.914 1.00 49.53 H new ATOM 0 HA ARG A 72 34.561 35.938 27.535 1.00 50.07 H new ATOM 0 HB2 ARG A 72 32.965 34.013 27.149 1.00 49.82 H new ATOM 0 HB3 ARG A 72 34.360 32.956 27.076 1.00 49.82 H new ATOM 0 HG2 ARG A 72 34.984 33.765 29.392 1.00 49.82 H new ATOM 0 HG3 ARG A 72 33.449 34.609 29.443 1.00 49.82 H new ATOM 0 HD2 ARG A 72 33.185 32.574 30.589 1.00 50.20 H new ATOM 0 HD3 ARG A 72 32.292 32.461 29.086 1.00 50.20 H new ATOM 0 HE ARG A 72 34.990 31.346 28.944 1.00 49.30 H new ATOM 0 HH11 ARG A 72 31.610 30.689 29.777 1.00 49.20 H new ATOM 0 HH12 ARG A 72 31.766 28.952 29.494 1.00 49.20 H new ATOM 0 HH21 ARG A 72 35.175 29.165 28.604 1.00 49.20 H new ATOM 0 HH22 ARG A 72 33.797 28.083 28.827 1.00 49.20 H new ATOM 1172 N LEU A 73 37.090 35.767 27.617 1.00 49.53 N ATOM 1173 CA LEU A 73 38.532 35.516 27.867 1.00 50.07 C ATOM 1174 C LEU A 73 38.731 34.600 29.066 1.00 50.51 C ATOM 1175 O LEU A 73 37.764 34.084 29.648 1.00 49.49 O ATOM 1176 CB LEU A 73 39.272 36.842 28.079 1.00 49.82 C ATOM 1177 CG LEU A 73 39.402 37.724 26.831 1.00 49.91 C ATOM 1178 CD1 LEU A 73 40.259 38.945 27.140 1.00 49.73 C ATOM 1179 CD2 LEU A 73 40.009 36.914 25.695 1.00 49.73 C ATOM 0 H LEU A 73 36.789 36.733 27.748 1.00 49.53 H new ATOM 0 HA LEU A 73 38.946 35.017 26.991 1.00 50.07 H new ATOM 0 HB2 LEU A 73 38.754 37.409 28.853 1.00 49.82 H new ATOM 0 HB3 LEU A 73 40.271 36.626 28.457 1.00 49.82 H new ATOM 0 HG LEU A 73 38.414 38.069 26.527 1.00 49.91 H new ATOM 0 HD11 LEU A 73 40.345 39.565 26.247 1.00 49.73 H new ATOM 0 HD12 LEU A 73 39.795 39.523 27.939 1.00 49.73 H new ATOM 0 HD13 LEU A 73 41.251 38.623 27.455 1.00 49.73 H new ATOM 0 HD21 LEU A 73 40.101 37.542 24.809 1.00 49.73 H new ATOM 0 HD22 LEU A 73 40.995 36.556 25.990 1.00 49.73 H new ATOM 0 HD23 LEU A 73 39.366 36.063 25.471 1.00 49.73 H new ATOM 1191 N ARG A 74 40.001 34.398 29.378 1.00 49.53 N ATOM 1192 CA ARG A 74 40.407 33.537 30.500 1.00 50.07 C ATOM 1193 C ARG A 74 41.280 34.293 31.498 1.00 50.51 C ATOM 1194 O ARG A 74 42.376 33.830 31.864 1.00 49.49 O ATOM 1195 CB ARG A 74 41.085 32.260 30.026 1.00 49.82 C ATOM 1196 CG ARG A 74 40.191 31.320 29.230 1.00 49.82 C ATOM 1197 CD ARG A 74 40.919 30.230 28.532 1.00 50.20 C ATOM 1198 NE ARG A 74 41.568 29.276 29.417 1.00 49.30 N ATOM 1199 CZ ARG A 74 40.957 28.215 29.980 1.00 50.64 C ATOM 1200 NH1 ARG A 74 39.677 27.989 29.786 1.00 49.20 N ATOM 1201 NH2 ARG A 74 41.675 27.420 30.755 1.00 49.20 N ATOM 0 H ARG A 74 40.781 34.818 28.872 1.00 49.53 H new ATOM 0 HA ARG A 74 39.494 33.240 31.017 1.00 50.07 H new ATOM 0 HB2 ARG A 74 41.945 32.528 29.412 1.00 49.82 H new ATOM 0 HB3 ARG A 74 41.469 31.725 30.895 1.00 49.82 H new ATOM 0 HG2 ARG A 74 39.457 30.878 29.904 1.00 49.82 H new ATOM 0 HG3 ARG A 74 39.637 31.901 28.493 1.00 49.82 H new ATOM 0 HD2 ARG A 74 40.218 29.694 27.892 1.00 50.20 H new ATOM 0 HD3 ARG A 74 41.672 30.672 27.880 1.00 50.20 H new ATOM 0 HE ARG A 74 42.556 29.420 29.627 1.00 49.30 H new ATOM 0 HH11 ARG A 74 39.130 28.621 29.202 1.00 49.20 H new ATOM 0 HH12 ARG A 74 39.230 27.181 30.220 1.00 49.20 H new ATOM 0 HH21 ARG A 74 42.663 27.618 30.913 1.00 49.20 H new ATOM 0 HH22 ARG A 74 41.241 26.609 31.195 1.00 49.20 H new ATOM 1215 N GLY A 75 40.794 35.468 31.880 1.00 49.53 N ATOM 1216 CA GLY A 75 41.467 36.337 32.835 1.00 49.98 C ATOM 1217 C GLY A 75 40.452 37.414 33.164 1.00 50.51 C ATOM 1218 O GLY A 75 39.233 37.249 32.988 1.00 49.49 O ATOM 0 H GLY A 75 39.913 35.847 31.532 1.00 49.53 H new ATOM 0 HA2 GLY A 75 41.764 35.788 33.728 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.374 36.766 32.408 1.00 49.98 H new ATOM 1222 N GLY A 76 40.943 38.405 33.883 1.00 49.53 N ATOM 1223 CA GLY A 76 40.176 39.580 34.322 1.00 49.98 C ATOM 1224 C GLY A 76 39.871 39.691 35.825 1.00 50.51 C ATOM 1225 O GLY A 76 38.764 40.175 36.131 1.00 49.49 O ATOM 0 H GLY A 76 41.915 38.426 34.193 1.00 49.53 H new ATOM 0 HA2 GLY A 76 40.722 40.474 34.020 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.229 39.588 33.782 1.00 49.98 H new