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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.0205 X(o=-0.02,f=-0.0065) USER MOD Set 2.1: A 7 THR OG1 : rot -79:sc= 0.334 USER MOD Set 2.2: A 9 THR OG1 : rot -49:sc= 0.251 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -158:sc= 1.16 (180deg=0.659) USER MOD Single : A 2 GLN : amide:sc= -0.345 X(o=-0.35,f=-0.41) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 174:sc= -2! (180deg=-2.16!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= 0.455 (180deg=0.151) USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0589) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0814) USER MOD Single : A 40 GLN : amide:sc= -0.0292 X(o=-0.029,f=-0.25) USER MOD Single : A 41 GLN : amide:sc= -0.392 K(o=-0.39,f=-1.7) USER MOD Single : A 48 LYS NZ :NH3+ 170:sc=-0.00133 (180deg=-0.0866) USER MOD Single : A 49 GLN : amide:sc= -2.07! K(o=-2.1!,f=0.52) USER MOD Single : A 55 THR OG1 : rot -62:sc= 0.543 USER MOD Single : A 57 SER OG : rot 67:sc= 0.0302 USER MOD Single : A 59 TYR OH : rot 15:sc= 0.29 USER MOD Single : A 60 ASN : amide:sc= -2.4! K(o=-2.4!,f=-0.2) USER MOD Single : A 62 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.0013) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 130:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.033 24.720 2.712 1.00 49.53 N ATOM 2 CA MET A 1 25.929 25.658 2.982 1.00 50.07 C ATOM 3 C MET A 1 26.621 26.896 3.602 1.00 50.51 C ATOM 4 O MET A 1 27.700 26.747 4.176 1.00 49.49 O ATOM 5 CB MET A 1 24.908 25.048 3.942 1.00 49.82 C ATOM 6 CG MET A 1 24.309 23.731 3.471 1.00 49.86 C ATOM 7 SD MET A 1 23.078 23.952 2.171 1.00 49.91 S ATOM 8 CE MET A 1 24.020 23.473 0.726 1.00 49.78 C ATOM 0 H1 MET A 1 26.741 24.041 1.980 1.00 49.53 H new ATOM 0 H2 MET A 1 27.865 25.249 2.381 1.00 49.53 H new ATOM 0 H3 MET A 1 27.273 24.207 3.584 1.00 49.53 H new ATOM 0 HA MET A 1 25.367 25.909 2.082 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.386 24.890 4.909 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.101 25.764 4.098 1.00 49.82 H new ATOM 0 HG2 MET A 1 25.106 23.084 3.105 1.00 49.86 H new ATOM 0 HG3 MET A 1 23.849 23.222 4.318 1.00 49.86 H new ATOM 0 HE1 MET A 1 23.393 23.557 -0.161 1.00 49.78 H new ATOM 0 HE2 MET A 1 24.885 24.128 0.622 1.00 49.78 H new ATOM 0 HE3 MET A 1 24.356 22.442 0.836 1.00 49.78 H new ATOM 18 N GLN A 2 25.962 28.006 3.450 1.00 49.53 N ATOM 19 CA GLN A 2 26.516 29.264 4.043 1.00 50.07 C ATOM 20 C GLN A 2 25.692 29.494 5.303 1.00 50.51 C ATOM 21 O GLN A 2 24.478 29.159 5.395 1.00 49.49 O ATOM 22 CB GLN A 2 26.378 30.445 3.079 1.00 49.82 C ATOM 23 CG GLN A 2 27.303 30.377 1.876 1.00 49.82 C ATOM 24 CD GLN A 2 28.724 30.787 2.214 1.00 50.55 C ATOM 25 OE1 GLN A 2 28.951 31.801 2.879 1.00 49.45 O ATOM 26 NE2 GLN A 2 29.691 30.001 1.755 1.00 49.38 N ATOM 0 H GLN A 2 25.078 28.104 2.951 1.00 49.53 H new ATOM 0 HA GLN A 2 27.582 29.176 4.254 1.00 50.07 H new ATOM 0 HB2 GLN A 2 25.347 30.495 2.728 1.00 49.82 H new ATOM 0 HB3 GLN A 2 26.575 31.369 3.623 1.00 49.82 H new ATOM 0 HG2 GLN A 2 27.305 29.361 1.480 1.00 49.82 H new ATOM 0 HG3 GLN A 2 26.918 31.025 1.089 1.00 49.82 H new ATOM 0 HE21 GLN A 2 29.458 29.172 1.209 1.00 49.38 H new ATOM 0 HE22 GLN A 2 30.667 30.227 1.949 1.00 49.38 H new ATOM 35 N ILE A 3 26.356 30.017 6.321 1.00 49.53 N ATOM 36 CA ILE A 3 25.655 30.428 7.552 1.00 50.07 C ATOM 37 C ILE A 3 26.339 31.787 7.885 1.00 50.51 C ATOM 38 O ILE A 3 27.372 32.027 7.282 1.00 49.49 O ATOM 39 CB ILE A 3 25.842 29.429 8.709 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.325 29.297 9.064 1.00 49.82 C ATOM 41 CG2 ILE A 3 25.256 28.074 8.342 1.00 49.73 C ATOM 42 CD1 ILE A 3 27.575 28.660 10.412 1.00 49.73 C ATOM 0 H ILE A 3 27.364 30.170 6.332 1.00 49.53 H new ATOM 0 HA ILE A 3 24.575 30.485 7.416 1.00 50.07 H new ATOM 0 HB ILE A 3 25.311 29.806 9.583 1.00 49.91 H new ATOM 0 HG12 ILE A 3 27.822 28.705 8.295 1.00 49.82 H new ATOM 0 HG13 ILE A 3 27.782 30.286 9.050 1.00 49.82 H new ATOM 0 HG21 ILE A 3 25.397 27.380 9.171 1.00 49.73 H new ATOM 0 HG22 ILE A 3 24.191 28.182 8.136 1.00 49.73 H new ATOM 0 HG23 ILE A 3 25.760 27.688 7.456 1.00 49.73 H new ATOM 0 HD11 ILE A 3 28.648 28.601 10.593 1.00 49.73 H new ATOM 0 HD12 ILE A 3 27.108 29.263 11.191 1.00 49.73 H new ATOM 0 HD13 ILE A 3 27.149 27.657 10.425 1.00 49.73 H new ATOM 54 N PHE A 4 25.682 32.503 8.767 1.00 49.53 N ATOM 55 CA PHE A 4 26.277 33.835 9.161 1.00 50.07 C ATOM 56 C PHE A 4 26.551 33.919 10.637 1.00 50.51 C ATOM 57 O PHE A 4 25.631 33.556 11.385 1.00 49.49 O ATOM 58 CB PHE A 4 25.350 34.976 8.737 1.00 49.82 C ATOM 59 CG PHE A 4 25.041 34.991 7.267 1.00 50.00 C ATOM 60 CD1 PHE A 4 25.866 35.661 6.377 1.00 49.88 C ATOM 61 CD2 PHE A 4 23.924 34.334 6.772 1.00 49.88 C ATOM 62 CE1 PHE A 4 25.583 35.677 5.025 1.00 49.88 C ATOM 63 CE2 PHE A 4 23.639 34.347 5.420 1.00 49.88 C ATOM 64 CZ PHE A 4 24.468 35.018 4.546 1.00 49.88 C ATOM 0 H PHE A 4 24.803 32.247 9.216 1.00 49.53 H new ATOM 0 HA PHE A 4 27.231 33.928 8.643 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.416 34.899 9.294 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.809 35.926 9.012 1.00 49.82 H new ATOM 0 HD1 PHE A 4 26.741 36.177 6.745 1.00 49.88 H new ATOM 0 HD2 PHE A 4 23.270 33.807 7.451 1.00 49.88 H new ATOM 0 HE1 PHE A 4 26.233 36.205 4.343 1.00 49.88 H new ATOM 0 HE2 PHE A 4 22.766 33.831 5.048 1.00 49.88 H new ATOM 0 HZ PHE A 4 24.246 35.028 3.489 1.00 49.88 H new ATOM 74 N VAL A 5 27.700 34.408 11.090 1.00 49.53 N ATOM 75 CA VAL A 5 27.957 34.584 12.506 1.00 50.07 C ATOM 76 C VAL A 5 27.588 36.009 12.984 1.00 50.51 C ATOM 77 O VAL A 5 27.840 36.888 12.151 1.00 49.49 O ATOM 78 CB VAL A 5 29.432 34.306 12.849 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.682 34.522 14.334 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.815 32.890 12.446 1.00 49.73 C ATOM 0 H VAL A 5 28.472 34.691 10.487 1.00 49.53 H new ATOM 0 HA VAL A 5 27.325 33.863 13.025 1.00 50.07 H new ATOM 0 HB VAL A 5 30.054 35.004 12.288 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.729 34.321 14.560 1.00 49.73 H new ATOM 0 HG12 VAL A 5 29.445 35.553 14.597 1.00 49.73 H new ATOM 0 HG13 VAL A 5 29.051 33.847 14.911 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.861 32.711 12.696 1.00 49.73 H new ATOM 0 HG22 VAL A 5 29.187 32.177 12.980 1.00 49.73 H new ATOM 0 HG23 VAL A 5 29.672 32.766 11.373 1.00 49.73 H new ATOM 90 N LYS A 6 27.038 36.116 14.144 1.00 49.53 N ATOM 91 CA LYS A 6 26.610 37.462 14.662 1.00 50.07 C ATOM 92 C LYS A 6 27.471 37.838 15.837 1.00 50.51 C ATOM 93 O LYS A 6 27.509 37.105 16.852 1.00 49.49 O ATOM 94 CB LYS A 6 25.134 37.446 15.061 1.00 49.82 C ATOM 95 CG LYS A 6 24.591 38.794 15.518 1.00 49.82 C ATOM 96 CD LYS A 6 23.112 38.708 15.859 1.00 49.82 C ATOM 97 CE LYS A 6 22.570 40.054 16.318 1.00 50.21 C ATOM 98 NZ LYS A 6 21.118 39.989 16.639 1.00 49.70 N ATOM 0 H LYS A 6 26.857 35.334 14.774 1.00 49.53 H new ATOM 0 HA LYS A 6 26.733 38.203 13.873 1.00 50.07 H new ATOM 0 HB2 LYS A 6 24.544 37.099 14.212 1.00 49.82 H new ATOM 0 HB3 LYS A 6 24.995 36.721 15.863 1.00 49.82 H new ATOM 0 HG2 LYS A 6 25.148 39.136 16.390 1.00 49.82 H new ATOM 0 HG3 LYS A 6 24.743 39.535 14.733 1.00 49.82 H new ATOM 0 HD2 LYS A 6 22.555 38.368 14.986 1.00 49.82 H new ATOM 0 HD3 LYS A 6 22.960 37.966 16.643 1.00 49.82 H new ATOM 0 HE2 LYS A 6 23.121 40.386 17.198 1.00 50.21 H new ATOM 0 HE3 LYS A 6 22.736 40.797 15.538 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 20.788 40.926 16.947 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 20.588 39.697 15.793 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 20.961 39.299 17.401 1.00 49.70 H new ATOM 112 N THR A 7 28.172 38.990 15.746 1.00 49.53 N ATOM 113 CA THR A 7 29.033 39.421 16.857 1.00 50.07 C ATOM 114 C THR A 7 28.434 40.664 17.519 1.00 50.51 C ATOM 115 O THR A 7 27.660 41.355 16.852 1.00 49.49 O ATOM 116 CB THR A 7 30.465 39.735 16.384 1.00 50.14 C ATOM 117 OG1 THR A 7 30.465 40.955 15.632 1.00 49.34 O ATOM 118 CG2 THR A 7 30.997 38.607 15.513 1.00 49.73 C ATOM 0 H THR A 7 28.158 39.616 14.941 1.00 49.53 H new ATOM 0 HA THR A 7 29.087 38.600 17.572 1.00 50.07 H new ATOM 0 HB THR A 7 31.107 39.839 17.259 1.00 50.14 H new ATOM 0 HG1 THR A 7 30.139 40.780 14.725 1.00 49.34 H new ATOM 0 HG21 THR A 7 32.010 38.845 15.188 1.00 49.73 H new ATOM 0 HG22 THR A 7 31.009 37.680 16.086 1.00 49.73 H new ATOM 0 HG23 THR A 7 30.354 38.487 14.641 1.00 49.73 H new ATOM 126 N LEU A 8 28.824 40.964 18.738 1.00 49.53 N ATOM 127 CA LEU A 8 28.257 42.126 19.459 1.00 50.07 C ATOM 128 C LEU A 8 29.093 43.340 19.108 1.00 50.51 C ATOM 129 O LEU A 8 29.034 44.356 19.827 1.00 49.49 O ATOM 130 CB LEU A 8 28.256 41.878 20.974 1.00 49.82 C ATOM 131 CG LEU A 8 27.423 40.677 21.437 1.00 49.91 C ATOM 132 CD1 LEU A 8 27.585 40.477 22.939 1.00 49.73 C ATOM 133 CD2 LEU A 8 25.962 40.902 21.078 1.00 49.73 C ATOM 0 H LEU A 8 29.523 40.438 19.262 1.00 49.53 H new ATOM 0 HA LEU A 8 27.221 42.287 19.162 1.00 50.07 H new ATOM 0 HB2 LEU A 8 29.285 41.735 21.304 1.00 49.82 H new ATOM 0 HB3 LEU A 8 27.883 42.773 21.473 1.00 49.82 H new ATOM 0 HG LEU A 8 27.773 39.776 20.933 1.00 49.91 H new ATOM 0 HD11 LEU A 8 26.990 39.622 23.258 1.00 49.73 H new ATOM 0 HD12 LEU A 8 28.634 40.295 23.171 1.00 49.73 H new ATOM 0 HD13 LEU A 8 27.247 41.371 23.464 1.00 49.73 H new ATOM 0 HD21 LEU A 8 25.371 40.048 21.408 1.00 49.73 H new ATOM 0 HD22 LEU A 8 25.601 41.805 21.571 1.00 49.73 H new ATOM 0 HD23 LEU A 8 25.866 41.015 19.998 1.00 49.73 H new ATOM 145 N THR A 9 29.865 43.271 18.006 1.00 49.53 N ATOM 146 CA THR A 9 30.673 44.500 17.699 1.00 50.07 C ATOM 147 C THR A 9 30.176 45.293 16.530 1.00 50.51 C ATOM 148 O THR A 9 30.302 46.530 16.474 1.00 49.49 O ATOM 149 CB THR A 9 32.149 44.141 17.452 1.00 50.14 C ATOM 150 OG1 THR A 9 32.257 43.342 16.266 1.00 49.34 O ATOM 151 CG2 THR A 9 32.716 43.367 18.633 1.00 49.73 C ATOM 0 H THR A 9 29.956 42.481 17.368 1.00 49.53 H new ATOM 0 HA THR A 9 30.566 45.127 18.584 1.00 50.07 H new ATOM 0 HB THR A 9 32.716 45.064 17.330 1.00 50.14 H new ATOM 0 HG1 THR A 9 31.611 42.607 16.307 1.00 49.34 H new ATOM 0 HG21 THR A 9 33.760 43.122 18.440 1.00 49.73 H new ATOM 0 HG22 THR A 9 32.647 43.976 19.534 1.00 49.73 H new ATOM 0 HG23 THR A 9 32.147 42.447 18.772 1.00 49.73 H new ATOM 159 N GLY A 10 29.708 44.643 15.509 1.00 49.53 N ATOM 160 CA GLY A 10 29.192 45.277 14.316 1.00 49.98 C ATOM 161 C GLY A 10 29.725 44.621 13.077 1.00 50.51 C ATOM 162 O GLY A 10 29.292 44.951 11.951 1.00 49.49 O ATOM 0 H GLY A 10 29.670 43.624 15.474 1.00 49.53 H new ATOM 0 HA2 GLY A 10 28.103 45.227 14.317 1.00 49.98 H new ATOM 0 HA3 GLY A 10 29.463 46.333 14.316 1.00 49.98 H new ATOM 166 N LYS A 11 30.664 43.727 13.252 1.00 49.53 N ATOM 167 CA LYS A 11 31.202 42.932 12.156 1.00 50.07 C ATOM 168 C LYS A 11 30.372 41.697 11.735 1.00 50.51 C ATOM 169 O LYS A 11 29.628 41.213 12.582 1.00 49.49 O ATOM 170 CB LYS A 11 32.625 42.486 12.494 1.00 49.82 C ATOM 171 CG LYS A 11 33.321 41.711 11.384 1.00 49.82 C ATOM 172 CD LYS A 11 34.821 41.622 11.627 1.00 49.82 C ATOM 173 CE LYS A 11 35.526 40.903 10.487 1.00 50.21 C ATOM 174 NZ LYS A 11 35.149 39.464 10.419 1.00 49.70 N ATOM 0 H LYS A 11 31.085 43.522 14.158 1.00 49.53 H new ATOM 0 HA LYS A 11 31.172 43.600 11.296 1.00 50.07 H new ATOM 0 HB2 LYS A 11 33.221 43.366 12.735 1.00 49.82 H new ATOM 0 HB3 LYS A 11 32.595 41.866 13.390 1.00 49.82 H new ATOM 0 HG2 LYS A 11 32.901 40.707 11.320 1.00 49.82 H new ATOM 0 HG3 LYS A 11 33.134 42.197 10.426 1.00 49.82 H new ATOM 0 HD2 LYS A 11 35.233 42.625 11.737 1.00 49.82 H new ATOM 0 HD3 LYS A 11 35.009 41.096 12.563 1.00 49.82 H new ATOM 0 HE2 LYS A 11 35.277 41.388 9.543 1.00 50.21 H new ATOM 0 HE3 LYS A 11 36.605 40.990 10.615 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 35.570 39.035 9.571 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 35.500 38.973 11.266 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 34.114 39.378 10.373 1.00 49.70 H new ATOM 188 N THR A 12 30.574 41.244 10.513 1.00 49.53 N ATOM 189 CA THR A 12 29.863 40.015 10.110 1.00 50.07 C ATOM 190 C THR A 12 30.850 38.963 9.609 1.00 50.51 C ATOM 191 O THR A 12 31.471 39.241 8.580 1.00 49.49 O ATOM 192 CB THR A 12 28.821 40.297 9.011 1.00 50.14 C ATOM 193 OG1 THR A 12 27.850 41.232 9.497 1.00 49.34 O ATOM 194 CG2 THR A 12 28.119 39.012 8.599 1.00 49.73 C ATOM 0 H THR A 12 31.181 41.666 9.810 1.00 49.53 H new ATOM 0 HA THR A 12 29.344 39.640 10.992 1.00 50.07 H new ATOM 0 HB THR A 12 29.334 40.713 8.144 1.00 50.14 H new ATOM 0 HG1 THR A 12 27.189 41.411 8.796 1.00 49.34 H new ATOM 0 HG21 THR A 12 27.387 39.231 7.822 1.00 49.73 H new ATOM 0 HG22 THR A 12 28.853 38.303 8.217 1.00 49.73 H new ATOM 0 HG23 THR A 12 27.614 38.580 9.463 1.00 49.73 H new ATOM 202 N ILE A 13 30.738 37.750 10.150 1.00 49.53 N ATOM 203 CA ILE A 13 31.707 36.735 9.642 1.00 50.07 C ATOM 204 C ILE A 13 30.953 35.663 8.906 1.00 50.51 C ATOM 205 O ILE A 13 29.996 35.086 9.458 1.00 49.49 O ATOM 206 CB ILE A 13 32.523 36.100 10.783 1.00 49.91 C ATOM 207 CG1 ILE A 13 33.219 37.184 11.609 1.00 49.82 C ATOM 208 CG2 ILE A 13 33.540 35.116 10.225 1.00 49.73 C ATOM 209 CD1 ILE A 13 33.838 36.672 12.890 1.00 49.73 C ATOM 0 H ILE A 13 30.071 37.450 10.861 1.00 49.53 H new ATOM 0 HA ILE A 13 32.407 37.237 8.975 1.00 50.07 H new ATOM 0 HB ILE A 13 31.841 35.555 11.436 1.00 49.91 H new ATOM 0 HG12 ILE A 13 33.996 37.648 11.001 1.00 49.82 H new ATOM 0 HG13 ILE A 13 32.496 37.963 11.852 1.00 49.82 H new ATOM 0 HG21 ILE A 13 34.108 34.676 11.045 1.00 49.73 H new ATOM 0 HG22 ILE A 13 33.022 34.328 9.679 1.00 49.73 H new ATOM 0 HG23 ILE A 13 34.220 35.638 9.551 1.00 49.73 H new ATOM 0 HD11 ILE A 13 34.312 37.498 13.420 1.00 49.73 H new ATOM 0 HD12 ILE A 13 33.063 36.234 13.519 1.00 49.73 H new ATOM 0 HD13 ILE A 13 34.586 35.914 12.655 1.00 49.73 H new ATOM 221 N THR A 14 31.271 35.437 7.651 1.00 49.53 N ATOM 222 CA THR A 14 30.543 34.339 6.947 1.00 50.07 C ATOM 223 C THR A 14 31.274 33.022 6.967 1.00 50.51 C ATOM 224 O THR A 14 32.519 32.991 7.152 1.00 49.49 O ATOM 225 CB THR A 14 30.251 34.717 5.483 1.00 50.14 C ATOM 226 OG1 THR A 14 31.482 34.991 4.802 1.00 49.34 O ATOM 227 CG2 THR A 14 29.354 35.944 5.417 1.00 49.73 C ATOM 0 H THR A 14 31.971 35.941 7.107 1.00 49.53 H new ATOM 0 HA THR A 14 29.613 34.213 7.501 1.00 50.07 H new ATOM 0 HB THR A 14 29.741 33.882 5.003 1.00 50.14 H new ATOM 0 HG1 THR A 14 31.294 35.230 3.870 1.00 49.34 H new ATOM 0 HG21 THR A 14 29.159 36.196 4.375 1.00 49.73 H new ATOM 0 HG22 THR A 14 28.411 35.733 5.922 1.00 49.73 H new ATOM 0 HG23 THR A 14 29.848 36.783 5.907 1.00 49.73 H new ATOM 235 N LEU A 15 30.581 31.914 6.761 1.00 49.53 N ATOM 236 CA LEU A 15 31.195 30.603 6.778 1.00 50.07 C ATOM 237 C LEU A 15 30.668 29.627 5.719 1.00 50.51 C ATOM 238 O LEU A 15 29.460 29.663 5.526 1.00 49.49 O ATOM 239 CB LEU A 15 31.043 29.982 8.172 1.00 49.82 C ATOM 240 CG LEU A 15 31.856 30.661 9.282 1.00 49.91 C ATOM 241 CD1 LEU A 15 31.664 29.920 10.597 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.325 30.693 8.889 1.00 49.73 C ATOM 0 H LEU A 15 29.578 31.902 6.578 1.00 49.53 H new ATOM 0 HA LEU A 15 32.243 30.767 6.528 1.00 50.07 H new ATOM 0 HB2 LEU A 15 29.989 30.005 8.450 1.00 49.82 H new ATOM 0 HB3 LEU A 15 31.336 28.933 8.119 1.00 49.82 H new ATOM 0 HG LEU A 15 31.507 31.685 9.415 1.00 49.91 H new ATOM 0 HD11 LEU A 15 32.245 30.409 11.379 1.00 49.73 H new ATOM 0 HD12 LEU A 15 30.609 29.930 10.869 1.00 49.73 H new ATOM 0 HD13 LEU A 15 32.001 28.889 10.486 1.00 49.73 H new ATOM 0 HD21 LEU A 15 33.902 31.175 9.678 1.00 49.73 H new ATOM 0 HD22 LEU A 15 33.686 29.674 8.747 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.441 31.252 7.961 1.00 49.73 H new ATOM 254 N GLU A 16 31.569 28.833 5.193 1.00 49.53 N ATOM 255 CA GLU A 16 31.080 27.769 4.256 1.00 50.07 C ATOM 256 C GLU A 16 31.206 26.414 4.918 1.00 50.51 C ATOM 257 O GLU A 16 32.307 25.865 4.954 1.00 49.49 O ATOM 258 CB GLU A 16 31.870 27.797 2.945 1.00 49.82 C ATOM 259 CG GLU A 16 31.302 26.906 1.850 1.00 49.72 C ATOM 260 CD GLU A 16 32.087 27.039 0.574 1.00 50.62 C ATOM 261 OE1 GLU A 16 33.036 27.785 0.559 1.00 49.24 O ATOM 262 OE2 GLU A 16 31.807 26.313 -0.350 1.00 49.24 O ATOM 0 H GLU A 16 32.575 28.868 5.359 1.00 49.53 H new ATOM 0 HA GLU A 16 30.032 27.959 4.023 1.00 50.07 H new ATOM 0 HB2 GLU A 16 31.907 28.823 2.579 1.00 49.82 H new ATOM 0 HB3 GLU A 16 32.897 27.494 3.147 1.00 49.82 H new ATOM 0 HG2 GLU A 16 31.315 25.867 2.180 1.00 49.72 H new ATOM 0 HG3 GLU A 16 30.260 27.170 1.668 1.00 49.72 H new ATOM 269 N VAL A 17 30.086 26.021 5.505 1.00 49.53 N ATOM 270 CA VAL A 17 29.998 24.765 6.242 1.00 50.07 C ATOM 271 C VAL A 17 28.981 23.684 5.848 1.00 50.51 C ATOM 272 O VAL A 17 27.940 23.959 5.210 1.00 49.49 O ATOM 273 CB VAL A 17 29.794 25.053 7.741 1.00 49.91 C ATOM 274 CG1 VAL A 17 30.915 25.935 8.271 1.00 49.73 C ATOM 275 CG2 VAL A 17 28.443 25.711 7.979 1.00 49.73 C ATOM 0 H VAL A 17 29.218 26.557 5.486 1.00 49.53 H new ATOM 0 HA VAL A 17 30.953 24.318 5.967 1.00 50.07 H new ATOM 0 HB VAL A 17 29.816 24.105 8.279 1.00 49.91 H new ATOM 0 HG11 VAL A 17 30.755 26.129 9.332 1.00 49.73 H new ATOM 0 HG12 VAL A 17 31.871 25.430 8.135 1.00 49.73 H new ATOM 0 HG13 VAL A 17 30.923 26.879 7.727 1.00 49.73 H new ATOM 0 HG21 VAL A 17 28.316 25.907 9.044 1.00 49.73 H new ATOM 0 HG22 VAL A 17 28.394 26.651 7.429 1.00 49.73 H new ATOM 0 HG23 VAL A 17 27.650 25.047 7.635 1.00 49.73 H new ATOM 285 N GLU A 18 29.356 22.485 6.236 1.00 49.53 N ATOM 286 CA GLU A 18 28.525 21.289 6.093 1.00 50.07 C ATOM 287 C GLU A 18 27.820 20.917 7.388 1.00 50.51 C ATOM 288 O GLU A 18 28.407 20.939 8.459 1.00 49.49 O ATOM 289 CB GLU A 18 29.369 20.110 5.602 1.00 49.82 C ATOM 290 CG GLU A 18 30.303 20.444 4.448 1.00 49.72 C ATOM 291 CD GLU A 18 30.893 19.200 3.844 1.00 50.62 C ATOM 292 OE1 GLU A 18 30.142 18.359 3.412 1.00 49.24 O ATOM 293 OE2 GLU A 18 32.093 19.138 3.713 1.00 49.24 O ATOM 0 H GLU A 18 30.261 22.301 6.668 1.00 49.53 H new ATOM 0 HA GLU A 18 27.756 21.521 5.356 1.00 50.07 H new ATOM 0 HB2 GLU A 18 29.961 19.731 6.435 1.00 49.82 H new ATOM 0 HB3 GLU A 18 28.702 19.305 5.293 1.00 49.82 H new ATOM 0 HG2 GLU A 18 29.757 20.998 3.684 1.00 49.72 H new ATOM 0 HG3 GLU A 18 31.103 21.094 4.802 1.00 49.72 H new ATOM 300 N PRO A 19 26.544 20.593 7.304 1.00 49.71 N ATOM 301 CA PRO A 19 25.760 20.169 8.464 1.00 50.02 C ATOM 302 C PRO A 19 26.394 19.000 9.177 1.00 50.51 C ATOM 303 O PRO A 19 26.140 18.748 10.362 1.00 49.49 O ATOM 304 CB PRO A 19 24.394 19.776 7.857 1.00 49.82 C ATOM 305 CG PRO A 19 24.302 20.654 6.653 1.00 49.82 C ATOM 306 CD PRO A 19 25.733 20.592 6.060 1.00 50.00 C ATOM 0 HA PRO A 19 25.683 20.951 9.219 1.00 50.02 H new ATOM 0 HB2 PRO A 19 24.359 18.720 7.591 1.00 49.82 H new ATOM 0 HB3 PRO A 19 23.575 19.957 8.553 1.00 49.82 H new ATOM 0 HG2 PRO A 19 23.557 20.291 5.945 1.00 49.82 H new ATOM 0 HG3 PRO A 19 24.020 21.673 6.918 1.00 49.82 H new ATOM 0 HD2 PRO A 19 25.895 19.696 5.461 1.00 50.00 H new ATOM 0 HD3 PRO A 19 25.954 21.447 5.421 1.00 50.00 H new ATOM 314 N SER A 20 27.196 18.227 8.464 1.00 49.53 N ATOM 315 CA SER A 20 27.813 17.035 9.068 1.00 50.07 C ATOM 316 C SER A 20 28.986 17.397 9.949 1.00 50.51 C ATOM 317 O SER A 20 29.418 16.535 10.733 1.00 49.49 O ATOM 318 CB SER A 20 28.248 16.069 7.983 1.00 50.05 C ATOM 319 OG SER A 20 27.159 15.564 7.261 1.00 49.34 O ATOM 0 H SER A 20 27.438 18.389 7.486 1.00 49.53 H new ATOM 0 HA SER A 20 27.065 16.556 9.699 1.00 50.07 H new ATOM 0 HB2 SER A 20 28.932 16.574 7.301 1.00 50.05 H new ATOM 0 HB3 SER A 20 28.799 15.243 8.433 1.00 50.05 H new ATOM 0 HG SER A 20 27.482 14.947 6.571 1.00 49.34 H new ATOM 325 N ASP A 21 29.570 18.575 9.718 1.00 49.53 N ATOM 326 CA ASP A 21 30.740 18.936 10.562 1.00 50.07 C ATOM 327 C ASP A 21 30.437 18.779 12.029 1.00 50.51 C ATOM 328 O ASP A 21 29.260 18.751 12.439 1.00 49.49 O ATOM 329 CB ASP A 21 31.188 20.370 10.270 1.00 49.72 C ATOM 330 CG ASP A 21 31.508 20.643 8.806 1.00 50.62 C ATOM 331 OD1 ASP A 21 31.990 19.753 8.147 1.00 49.24 O ATOM 332 OD2 ASP A 21 31.125 21.680 8.320 1.00 49.24 O ATOM 0 H ASP A 21 29.290 19.258 9.014 1.00 49.53 H new ATOM 0 HA ASP A 21 31.549 18.250 10.311 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.404 21.055 10.592 1.00 49.72 H new ATOM 0 HB3 ASP A 21 32.071 20.591 10.870 1.00 49.72 H new ATOM 337 N THR A 22 31.480 18.815 12.841 1.00 49.53 N ATOM 338 CA THR A 22 31.345 18.769 14.278 1.00 50.07 C ATOM 339 C THR A 22 31.815 20.188 14.676 1.00 50.51 C ATOM 340 O THR A 22 32.695 20.748 14.014 1.00 49.49 O ATOM 341 CB THR A 22 32.236 17.698 14.930 1.00 50.14 C ATOM 342 OG1 THR A 22 33.597 17.892 14.525 1.00 49.34 O ATOM 343 CG2 THR A 22 31.783 16.305 14.520 1.00 49.73 C ATOM 0 H THR A 22 32.445 18.877 12.516 1.00 49.53 H new ATOM 0 HA THR A 22 30.337 18.508 14.602 1.00 50.07 H new ATOM 0 HB THR A 22 32.155 17.791 16.013 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.163 17.210 14.943 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.425 15.560 14.991 1.00 49.73 H new ATOM 0 HG22 THR A 22 30.752 16.149 14.839 1.00 49.73 H new ATOM 0 HG23 THR A 22 31.847 16.206 13.436 1.00 49.73 H new ATOM 351 N ILE A 23 31.137 20.697 15.704 1.00 49.53 N ATOM 352 CA ILE A 23 31.502 21.990 16.278 1.00 50.07 C ATOM 353 C ILE A 23 32.972 22.411 16.317 1.00 50.51 C ATOM 354 O ILE A 23 33.336 23.570 16.047 1.00 49.49 O ATOM 355 CB ILE A 23 30.951 22.106 17.711 1.00 49.91 C ATOM 356 CG1 ILE A 23 29.426 22.239 17.688 1.00 49.82 C ATOM 357 CG2 ILE A 23 31.581 23.289 18.429 1.00 49.73 C ATOM 358 CD1 ILE A 23 28.936 23.556 17.131 1.00 49.73 C ATOM 0 H ILE A 23 30.342 20.240 16.151 1.00 49.53 H new ATOM 0 HA ILE A 23 31.051 22.673 15.558 1.00 50.07 H new ATOM 0 HB ILE A 23 31.209 21.198 18.256 1.00 49.91 H new ATOM 0 HG12 ILE A 23 29.009 21.426 17.093 1.00 49.82 H new ATOM 0 HG13 ILE A 23 29.045 22.120 18.702 1.00 49.82 H new ATOM 0 HG21 ILE A 23 31.180 23.356 19.440 1.00 49.73 H new ATOM 0 HG22 ILE A 23 32.662 23.153 18.475 1.00 49.73 H new ATOM 0 HG23 ILE A 23 31.353 24.207 17.887 1.00 49.73 H new ATOM 0 HD11 ILE A 23 27.846 23.575 17.147 1.00 49.73 H new ATOM 0 HD12 ILE A 23 29.322 24.374 17.739 1.00 49.73 H new ATOM 0 HD13 ILE A 23 29.286 23.670 16.105 1.00 49.73 H new ATOM 370 N GLU A 24 33.834 21.491 16.682 1.00 49.53 N ATOM 371 CA GLU A 24 35.305 21.790 16.686 1.00 50.07 C ATOM 372 C GLU A 24 35.805 22.269 15.345 1.00 50.51 C ATOM 373 O GLU A 24 36.733 23.110 15.259 1.00 49.49 O ATOM 374 CB GLU A 24 36.096 20.555 17.123 1.00 49.82 C ATOM 375 CG GLU A 24 37.607 20.722 17.063 1.00 49.72 C ATOM 376 CD GLU A 24 38.080 21.774 18.027 1.00 50.62 C ATOM 377 OE1 GLU A 24 37.673 21.737 19.164 1.00 49.24 O ATOM 378 OE2 GLU A 24 38.934 22.547 17.661 1.00 49.24 O ATOM 0 H GLU A 24 33.584 20.547 16.977 1.00 49.53 H new ATOM 0 HA GLU A 24 35.460 22.600 17.398 1.00 50.07 H new ATOM 0 HB2 GLU A 24 35.811 20.299 18.144 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.810 19.714 16.492 1.00 49.82 H new ATOM 0 HG2 GLU A 24 38.089 19.772 17.293 1.00 49.72 H new ATOM 0 HG3 GLU A 24 37.905 20.994 16.050 1.00 49.72 H new ATOM 385 N ASN A 25 35.245 21.728 14.275 1.00 49.53 N ATOM 386 CA ASN A 25 35.607 22.062 12.892 1.00 50.07 C ATOM 387 C ASN A 25 35.025 23.379 12.382 1.00 50.51 C ATOM 388 O ASN A 25 35.415 23.877 11.306 1.00 49.49 O ATOM 389 CB ASN A 25 35.224 20.939 11.946 1.00 49.82 C ATOM 390 CG ASN A 25 36.282 19.878 11.807 1.00 50.55 C ATOM 391 OD1 ASN A 25 37.386 20.136 11.314 1.00 49.45 O ATOM 392 ND2 ASN A 25 35.921 18.671 12.161 1.00 49.38 N ATOM 0 H ASN A 25 34.507 21.026 14.337 1.00 49.53 H new ATOM 0 HA ASN A 25 36.689 22.192 12.911 1.00 50.07 H new ATOM 0 HB2 ASN A 25 34.302 20.477 12.299 1.00 49.82 H new ATOM 0 HB3 ASN A 25 35.013 21.360 10.963 1.00 49.82 H new ATOM 0 HD21 ASN A 25 36.563 17.889 12.034 1.00 49.38 H new ATOM 0 HD22 ASN A 25 34.997 18.512 12.564 1.00 49.38 H new ATOM 399 N VAL A 26 34.092 23.898 13.167 1.00 49.53 N ATOM 400 CA VAL A 26 33.461 25.171 12.830 1.00 50.07 C ATOM 401 C VAL A 26 34.245 26.320 13.454 1.00 50.51 C ATOM 402 O VAL A 26 34.433 27.376 12.839 1.00 49.49 O ATOM 403 CB VAL A 26 32.000 25.229 13.313 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.474 26.655 13.252 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.126 24.304 12.481 1.00 49.73 C ATOM 0 H VAL A 26 33.757 23.467 14.029 1.00 49.53 H new ATOM 0 HA VAL A 26 33.464 25.263 11.744 1.00 50.07 H new ATOM 0 HB VAL A 26 31.968 24.894 14.350 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.440 26.677 13.597 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.083 27.295 13.890 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.521 27.017 12.225 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.097 24.358 12.837 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.165 24.610 11.435 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.488 23.280 12.574 1.00 49.73 H new ATOM 415 N LYS A 27 34.734 26.095 14.669 1.00 49.53 N ATOM 416 CA LYS A 27 35.502 27.129 15.376 1.00 50.07 C ATOM 417 C LYS A 27 36.922 27.352 14.879 1.00 50.51 C ATOM 418 O LYS A 27 37.368 28.525 14.823 1.00 49.49 O ATOM 419 CB LYS A 27 35.537 26.816 16.872 1.00 49.82 C ATOM 420 CG LYS A 27 34.176 26.858 17.555 1.00 49.82 C ATOM 421 CD LYS A 27 34.290 26.537 19.038 1.00 49.82 C ATOM 422 CE LYS A 27 32.928 26.559 19.716 1.00 50.21 C ATOM 423 NZ LYS A 27 33.022 26.220 21.162 1.00 49.70 N ATOM 0 H LYS A 27 34.618 25.222 15.183 1.00 49.53 H new ATOM 0 HA LYS A 27 34.973 28.059 15.168 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.971 25.826 17.014 1.00 49.82 H new ATOM 0 HB3 LYS A 27 36.199 27.528 17.365 1.00 49.82 H new ATOM 0 HG2 LYS A 27 33.734 27.846 17.428 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.505 26.144 17.077 1.00 49.82 H new ATOM 0 HD2 LYS A 27 34.746 25.555 19.165 1.00 49.82 H new ATOM 0 HD3 LYS A 27 34.949 27.260 19.519 1.00 49.82 H new ATOM 0 HE2 LYS A 27 32.482 27.547 19.603 1.00 50.21 H new ATOM 0 HE3 LYS A 27 32.264 25.851 19.220 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 32.136 25.773 21.472 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 33.813 25.562 21.314 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 33.183 27.088 21.712 1.00 49.70 H new ATOM 437 N ALA A 28 37.641 26.294 14.570 1.00 49.53 N ATOM 438 CA ALA A 28 38.998 26.405 14.019 1.00 50.07 C ATOM 439 C ALA A 28 38.896 27.156 12.704 1.00 50.51 C ATOM 440 O ALA A 28 39.725 28.088 12.424 1.00 49.49 O ATOM 441 CB ALA A 28 39.626 25.012 13.819 1.00 49.73 C ATOM 0 H ALA A 28 37.315 25.335 14.688 1.00 49.53 H new ATOM 0 HA ALA A 28 39.647 26.944 14.709 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.630 25.121 13.410 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.678 24.496 14.777 1.00 49.73 H new ATOM 0 HB3 ALA A 28 39.014 24.433 13.128 1.00 49.73 H new ATOM 447 N LYS A 29 37.921 26.851 11.861 1.00 49.53 N ATOM 448 CA LYS A 29 37.716 27.602 10.606 1.00 50.07 C ATOM 449 C LYS A 29 37.869 29.094 10.959 1.00 50.51 C ATOM 450 O LYS A 29 38.640 29.866 10.340 1.00 49.49 O ATOM 451 CB LYS A 29 36.334 27.319 10.013 1.00 49.82 C ATOM 452 CG LYS A 29 36.257 26.047 9.179 1.00 49.82 C ATOM 453 CD LYS A 29 34.966 25.989 8.377 1.00 49.82 C ATOM 454 CE LYS A 29 34.927 27.071 7.307 1.00 50.21 C ATOM 455 NZ LYS A 29 35.877 26.789 6.197 1.00 49.70 N ATOM 0 H LYS A 29 37.255 26.093 12.012 1.00 49.53 H new ATOM 0 HA LYS A 29 38.442 27.302 9.851 1.00 50.07 H new ATOM 0 HB2 LYS A 29 35.610 27.251 10.825 1.00 49.82 H new ATOM 0 HB3 LYS A 29 36.038 28.165 9.392 1.00 49.82 H new ATOM 0 HG2 LYS A 29 37.110 26.001 8.502 1.00 49.82 H new ATOM 0 HG3 LYS A 29 36.321 25.177 9.832 1.00 49.82 H new ATOM 0 HD2 LYS A 29 34.870 25.009 7.909 1.00 49.82 H new ATOM 0 HD3 LYS A 29 34.114 26.107 9.047 1.00 49.82 H new ATOM 0 HE2 LYS A 29 33.916 27.150 6.908 1.00 50.21 H new ATOM 0 HE3 LYS A 29 35.169 28.034 7.756 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 35.725 27.472 5.428 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 36.853 26.872 6.546 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 35.718 25.825 5.840 1.00 49.70 H new ATOM 469 N ILE A 30 37.174 29.508 12.019 1.00 49.53 N ATOM 470 CA ILE A 30 37.257 30.920 12.436 1.00 50.07 C ATOM 471 C ILE A 30 38.658 31.364 12.880 1.00 50.51 C ATOM 472 O ILE A 30 38.984 32.570 12.787 1.00 49.49 O ATOM 473 CB ILE A 30 36.265 31.221 13.573 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.830 31.237 13.039 1.00 49.82 C ATOM 475 CG2 ILE A 30 36.604 32.546 14.239 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.781 31.416 14.114 1.00 49.73 C ATOM 0 H ILE A 30 36.568 28.918 12.589 1.00 49.53 H new ATOM 0 HA ILE A 30 37.003 31.488 11.541 1.00 50.07 H new ATOM 0 HB ILE A 30 36.345 30.432 14.321 1.00 49.91 H new ATOM 0 HG12 ILE A 30 34.732 32.042 12.311 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.639 30.304 12.509 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.892 32.743 15.041 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.612 32.498 14.652 1.00 49.73 H new ATOM 0 HG23 ILE A 30 36.551 33.348 13.502 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.790 31.417 13.659 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.850 30.597 14.830 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.945 32.363 14.628 1.00 49.73 H new ATOM 488 N GLN A 31 39.453 30.473 13.417 1.00 49.53 N ATOM 489 CA GLN A 31 40.823 30.905 13.839 1.00 50.07 C ATOM 490 C GLN A 31 41.593 31.402 12.604 1.00 50.51 C ATOM 491 O GLN A 31 42.560 32.199 12.619 1.00 49.49 O ATOM 492 CB GLN A 31 41.578 29.749 14.501 1.00 49.82 C ATOM 493 CG GLN A 31 43.042 30.042 14.781 1.00 49.82 C ATOM 494 CD GLN A 31 43.768 28.848 15.372 1.00 50.55 C ATOM 495 OE1 GLN A 31 44.108 27.898 14.662 1.00 49.45 O ATOM 496 NE2 GLN A 31 44.006 28.888 16.677 1.00 49.38 N ATOM 0 H GLN A 31 39.224 29.492 13.579 1.00 49.53 H new ATOM 0 HA GLN A 31 40.735 31.710 14.568 1.00 50.07 H new ATOM 0 HB2 GLN A 31 41.084 29.497 15.439 1.00 49.82 H new ATOM 0 HB3 GLN A 31 41.511 28.871 13.859 1.00 49.82 H new ATOM 0 HG2 GLN A 31 43.533 30.341 13.855 1.00 49.82 H new ATOM 0 HG3 GLN A 31 43.116 30.885 15.468 1.00 49.82 H new ATOM 0 HE21 GLN A 31 43.707 29.694 17.225 1.00 49.38 H new ATOM 0 HE22 GLN A 31 44.488 28.113 17.131 1.00 49.38 H new ATOM 505 N ASP A 32 41.189 30.859 11.480 1.00 49.53 N ATOM 506 CA ASP A 32 41.815 31.244 10.193 1.00 50.07 C ATOM 507 C ASP A 32 41.592 32.711 9.898 1.00 50.51 C ATOM 508 O ASP A 32 42.403 33.413 9.249 1.00 49.49 O ATOM 509 CB ASP A 32 41.263 30.387 9.051 1.00 49.72 C ATOM 510 CG ASP A 32 41.591 28.903 9.163 1.00 50.62 C ATOM 511 OD1 ASP A 32 42.252 28.530 10.102 1.00 49.24 O ATOM 512 OD2 ASP A 32 41.052 28.138 8.400 1.00 49.24 O ATOM 0 H ASP A 32 40.448 30.162 11.407 1.00 49.53 H new ATOM 0 HA ASP A 32 42.888 31.071 10.277 1.00 50.07 H new ATOM 0 HB2 ASP A 32 40.180 30.506 9.014 1.00 49.72 H new ATOM 0 HB3 ASP A 32 41.657 30.764 8.107 1.00 49.72 H new ATOM 517 N LYS A 33 40.448 33.264 10.343 1.00 49.53 N ATOM 518 CA LYS A 33 40.202 34.680 9.957 1.00 50.07 C ATOM 519 C LYS A 33 40.293 35.564 11.151 1.00 50.51 C ATOM 520 O LYS A 33 40.500 36.807 10.932 1.00 49.49 O ATOM 521 CB LYS A 33 38.832 34.828 9.292 1.00 49.82 C ATOM 522 CG LYS A 33 38.764 34.293 7.867 1.00 49.82 C ATOM 523 CD LYS A 33 39.536 35.183 6.905 1.00 49.82 C ATOM 524 CE LYS A 33 39.497 34.630 5.487 1.00 50.21 C ATOM 525 NZ LYS A 33 38.127 34.680 4.909 1.00 49.70 N ATOM 0 H LYS A 33 39.736 32.811 10.916 1.00 49.53 H new ATOM 0 HA LYS A 33 40.967 34.978 9.240 1.00 50.07 H new ATOM 0 HB2 LYS A 33 38.089 34.309 9.898 1.00 49.82 H new ATOM 0 HB3 LYS A 33 38.557 35.883 9.285 1.00 49.82 H new ATOM 0 HG2 LYS A 33 39.170 33.282 7.836 1.00 49.82 H new ATOM 0 HG3 LYS A 33 37.723 34.228 7.550 1.00 49.82 H new ATOM 0 HD2 LYS A 33 39.114 36.188 6.917 1.00 49.82 H new ATOM 0 HD3 LYS A 33 40.571 35.268 7.236 1.00 49.82 H new ATOM 0 HE2 LYS A 33 40.178 35.201 4.856 1.00 50.21 H new ATOM 0 HE3 LYS A 33 39.853 33.600 5.489 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 38.168 34.440 3.898 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 37.517 33.998 5.403 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 37.737 35.638 5.022 1.00 49.70 H new ATOM 539 N GLU A 34 40.301 35.111 12.373 1.00 49.53 N ATOM 540 CA GLU A 34 40.390 35.924 13.564 1.00 50.07 C ATOM 541 C GLU A 34 41.530 35.750 14.536 1.00 50.51 C ATOM 542 O GLU A 34 41.844 36.684 15.282 1.00 49.49 O ATOM 543 CB GLU A 34 39.080 35.804 14.344 1.00 49.82 C ATOM 544 CG GLU A 34 37.833 36.123 13.531 1.00 49.72 C ATOM 545 CD GLU A 34 37.719 37.598 13.261 1.00 50.62 C ATOM 546 OE1 GLU A 34 38.482 38.346 13.823 1.00 49.24 O ATOM 547 OE2 GLU A 34 36.944 37.968 12.411 1.00 49.24 O ATOM 0 H GLU A 34 40.243 34.114 12.581 1.00 49.53 H new ATOM 0 HA GLU A 34 40.600 36.904 13.136 1.00 50.07 H new ATOM 0 HB2 GLU A 34 38.995 34.790 14.734 1.00 49.82 H new ATOM 0 HB3 GLU A 34 39.120 36.474 15.203 1.00 49.82 H new ATOM 0 HG2 GLU A 34 37.863 35.580 12.587 1.00 49.72 H new ATOM 0 HG3 GLU A 34 36.949 35.780 14.068 1.00 49.72 H new ATOM 554 N GLY A 35 42.066 34.545 14.645 1.00 49.53 N ATOM 555 CA GLY A 35 43.203 34.270 15.483 1.00 49.98 C ATOM 556 C GLY A 35 42.662 33.989 16.828 1.00 50.51 C ATOM 557 O GLY A 35 43.443 33.700 17.773 1.00 49.49 O ATOM 0 H GLY A 35 41.714 33.728 14.146 1.00 49.53 H new ATOM 0 HA2 GLY A 35 43.769 33.419 15.105 1.00 49.98 H new ATOM 0 HA3 GLY A 35 43.884 35.120 15.507 1.00 49.98 H new ATOM 561 N ILE A 36 41.329 33.872 16.959 1.00 49.53 N ATOM 562 CA ILE A 36 40.770 33.586 18.289 1.00 50.07 C ATOM 563 C ILE A 36 40.795 32.074 18.428 1.00 50.51 C ATOM 564 O ILE A 36 40.198 31.350 17.609 1.00 49.49 O ATOM 565 CB ILE A 36 39.329 34.107 18.443 1.00 49.91 C ATOM 566 CG1 ILE A 36 39.287 35.625 18.250 1.00 49.82 C ATOM 567 CG2 ILE A 36 38.768 33.724 19.804 1.00 49.73 C ATOM 568 CD1 ILE A 36 37.905 36.166 17.963 1.00 49.73 C ATOM 0 H ILE A 36 40.650 33.965 16.203 1.00 49.53 H new ATOM 0 HA ILE A 36 41.354 34.087 19.061 1.00 50.07 H new ATOM 0 HB ILE A 36 38.709 33.645 17.674 1.00 49.91 H new ATOM 0 HG12 ILE A 36 39.676 36.107 19.147 1.00 49.82 H new ATOM 0 HG13 ILE A 36 39.951 35.896 17.429 1.00 49.82 H new ATOM 0 HG21 ILE A 36 37.749 34.100 19.896 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.765 32.639 19.904 1.00 49.73 H new ATOM 0 HG23 ILE A 36 39.388 34.159 20.588 1.00 49.73 H new ATOM 0 HD11 ILE A 36 37.956 37.248 17.838 1.00 49.73 H new ATOM 0 HD12 ILE A 36 37.520 35.713 17.049 1.00 49.73 H new ATOM 0 HD13 ILE A 36 37.241 35.928 18.794 1.00 49.73 H new ATOM 580 N PRO A 37 41.457 31.574 19.465 1.00 49.71 N ATOM 581 CA PRO A 37 41.537 30.130 19.750 1.00 50.02 C ATOM 582 C PRO A 37 40.153 29.529 19.896 1.00 50.51 C ATOM 583 O PRO A 37 39.307 30.144 20.598 1.00 49.49 O ATOM 584 CB PRO A 37 42.255 30.152 21.134 1.00 49.82 C ATOM 585 CG PRO A 37 43.130 31.368 21.054 1.00 49.82 C ATOM 586 CD PRO A 37 42.186 32.407 20.467 1.00 50.00 C ATOM 0 HA PRO A 37 42.033 29.545 18.976 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.542 30.224 21.955 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.840 29.247 21.298 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.504 31.665 22.034 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.999 31.203 20.418 1.00 49.82 H new ATOM 0 HD2 PRO A 37 41.519 32.832 21.217 1.00 50.00 H new ATOM 0 HD3 PRO A 37 42.719 33.239 20.006 1.00 50.00 H new ATOM 594 N PRO A 38 39.902 28.373 19.332 1.00 49.71 N ATOM 595 CA PRO A 38 38.568 27.761 19.435 1.00 50.02 C ATOM 596 C PRO A 38 38.114 27.550 20.854 1.00 50.51 C ATOM 597 O PRO A 38 36.898 27.623 21.185 1.00 49.49 O ATOM 598 CB PRO A 38 38.692 26.487 18.605 1.00 49.82 C ATOM 599 CG PRO A 38 39.760 26.851 17.575 1.00 49.82 C ATOM 600 CD PRO A 38 40.797 27.567 18.464 1.00 50.00 C ATOM 0 HA PRO A 38 37.776 28.407 19.055 1.00 50.02 H new ATOM 0 HB2 PRO A 38 38.993 25.635 19.215 1.00 49.82 H new ATOM 0 HB3 PRO A 38 37.748 26.221 18.130 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.176 25.971 17.084 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.371 27.500 16.790 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.407 26.867 19.035 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.481 28.187 17.885 1.00 50.00 H new ATOM 608 N ASP A 39 39.024 27.289 21.761 1.00 49.53 N ATOM 609 CA ASP A 39 38.648 27.012 23.174 1.00 50.07 C ATOM 610 C ASP A 39 38.145 28.304 23.805 1.00 50.51 C ATOM 611 O ASP A 39 37.441 28.321 24.853 1.00 49.49 O ATOM 612 CB ASP A 39 39.841 26.460 23.958 1.00 49.72 C ATOM 613 CG ASP A 39 40.320 25.090 23.493 1.00 50.62 C ATOM 614 OD1 ASP A 39 39.549 24.162 23.553 1.00 49.24 O ATOM 615 OD2 ASP A 39 41.390 25.015 22.939 1.00 49.24 O ATOM 0 H ASP A 39 40.026 27.257 21.574 1.00 49.53 H new ATOM 0 HA ASP A 39 37.862 26.257 23.200 1.00 50.07 H new ATOM 0 HB2 ASP A 39 40.668 27.166 23.882 1.00 49.72 H new ATOM 0 HB3 ASP A 39 39.570 26.398 25.012 1.00 49.72 H new ATOM 620 N GLN A 40 38.395 29.423 23.146 1.00 49.53 N ATOM 621 CA GLN A 40 37.911 30.717 23.684 1.00 50.07 C ATOM 622 C GLN A 40 36.607 31.238 23.054 1.00 50.51 C ATOM 623 O GLN A 40 36.173 32.328 23.407 1.00 49.49 O ATOM 624 CB GLN A 40 38.999 31.783 23.532 1.00 49.82 C ATOM 625 CG GLN A 40 40.305 31.445 24.230 1.00 49.82 C ATOM 626 CD GLN A 40 40.141 31.314 25.733 1.00 50.55 C ATOM 627 OE1 GLN A 40 39.513 32.158 26.379 1.00 49.45 O ATOM 628 NE2 GLN A 40 40.708 30.255 26.299 1.00 49.38 N ATOM 0 H GLN A 40 38.910 29.481 22.268 1.00 49.53 H new ATOM 0 HA GLN A 40 37.683 30.522 24.732 1.00 50.07 H new ATOM 0 HB2 GLN A 40 39.196 31.936 22.471 1.00 49.82 H new ATOM 0 HB3 GLN A 40 38.624 32.728 23.926 1.00 49.82 H new ATOM 0 HG2 GLN A 40 40.698 30.511 23.827 1.00 49.82 H new ATOM 0 HG3 GLN A 40 41.040 32.220 24.014 1.00 49.82 H new ATOM 0 HE21 GLN A 40 41.218 29.582 25.726 1.00 49.38 H new ATOM 0 HE22 GLN A 40 40.634 30.114 27.307 1.00 49.38 H new ATOM 637 N GLN A 41 36.007 30.480 22.163 1.00 49.53 N ATOM 638 CA GLN A 41 34.809 30.869 21.461 1.00 50.07 C ATOM 639 C GLN A 41 33.611 30.172 22.070 1.00 50.51 C ATOM 640 O GLN A 41 33.569 28.981 22.339 1.00 49.49 O ATOM 641 CB GLN A 41 34.916 30.523 19.973 1.00 49.82 C ATOM 642 CG GLN A 41 36.167 31.059 19.298 1.00 49.82 C ATOM 643 CD GLN A 41 36.134 30.879 17.793 1.00 50.55 C ATOM 644 OE1 GLN A 41 35.128 30.439 17.227 1.00 49.45 O ATOM 645 NE2 GLN A 41 37.237 31.214 17.133 1.00 49.38 N ATOM 0 H GLN A 41 36.348 29.555 21.902 1.00 49.53 H new ATOM 0 HA GLN A 41 34.686 31.948 21.554 1.00 50.07 H new ATOM 0 HB2 GLN A 41 34.892 29.439 19.861 1.00 49.82 H new ATOM 0 HB3 GLN A 41 34.041 30.916 19.456 1.00 49.82 H new ATOM 0 HG2 GLN A 41 36.278 32.118 19.532 1.00 49.82 H new ATOM 0 HG3 GLN A 41 37.042 30.550 19.703 1.00 49.82 H new ATOM 0 HE21 GLN A 41 38.045 31.574 17.640 1.00 49.38 H new ATOM 0 HE22 GLN A 41 37.275 31.112 16.119 1.00 49.38 H new ATOM 654 N ARG A 42 32.505 30.912 22.120 1.00 49.53 N ATOM 655 CA ARG A 42 31.192 30.322 22.529 1.00 50.07 C ATOM 656 C ARG A 42 30.047 30.396 21.543 1.00 50.51 C ATOM 657 O ARG A 42 29.660 31.581 21.188 1.00 49.49 O ATOM 658 CB ARG A 42 30.750 30.863 23.881 1.00 49.82 C ATOM 659 CG ARG A 42 29.564 30.141 24.502 1.00 49.82 C ATOM 660 CD ARG A 42 29.315 30.485 25.925 1.00 50.20 C ATOM 661 NE ARG A 42 28.760 31.812 26.137 1.00 49.30 N ATOM 662 CZ ARG A 42 28.778 32.470 27.313 1.00 50.64 C ATOM 663 NH1 ARG A 42 29.286 31.917 28.390 1.00 49.20 N ATOM 664 NH2 ARG A 42 28.249 33.681 27.358 1.00 49.20 N ATOM 0 H ARG A 42 32.470 31.905 21.891 1.00 49.53 H new ATOM 0 HA ARG A 42 31.419 29.257 22.578 1.00 50.07 H new ATOM 0 HB2 ARG A 42 31.592 30.808 24.571 1.00 49.82 H new ATOM 0 HB3 ARG A 42 30.497 31.917 23.769 1.00 49.82 H new ATOM 0 HG2 ARG A 42 28.670 30.371 23.923 1.00 49.82 H new ATOM 0 HG3 ARG A 42 29.726 29.066 24.423 1.00 49.82 H new ATOM 0 HD2 ARG A 42 28.633 29.748 26.350 1.00 50.20 H new ATOM 0 HD3 ARG A 42 30.253 30.405 26.474 1.00 50.20 H new ATOM 0 HE ARG A 42 28.327 32.278 25.340 1.00 49.30 H new ATOM 0 HH11 ARG A 42 29.675 30.975 28.345 1.00 49.20 H new ATOM 0 HH12 ARG A 42 29.292 32.429 29.272 1.00 49.20 H new ATOM 0 HH21 ARG A 42 27.843 34.092 26.517 1.00 49.20 H new ATOM 0 HH22 ARG A 42 28.247 34.205 28.233 1.00 49.20 H new ATOM 678 N LEU A 43 29.552 29.272 21.029 1.00 49.53 N ATOM 679 CA LEU A 43 28.466 29.306 20.016 1.00 50.07 C ATOM 680 C LEU A 43 27.094 28.871 20.521 1.00 50.51 C ATOM 681 O LEU A 43 26.991 27.788 21.113 1.00 49.49 O ATOM 682 CB LEU A 43 28.864 28.450 18.807 1.00 49.82 C ATOM 683 CG LEU A 43 29.980 29.035 17.932 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.340 28.057 16.822 1.00 49.73 C ATOM 685 CD2 LEU A 43 29.526 30.366 17.352 1.00 49.73 C ATOM 0 H LEU A 43 29.869 28.336 21.282 1.00 49.53 H new ATOM 0 HA LEU A 43 28.356 30.356 19.744 1.00 50.07 H new ATOM 0 HB2 LEU A 43 29.180 27.470 19.164 1.00 49.82 H new ATOM 0 HB3 LEU A 43 27.982 28.294 18.186 1.00 49.82 H new ATOM 0 HG LEU A 43 30.869 29.202 18.540 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.133 28.481 16.206 1.00 49.73 H new ATOM 0 HD12 LEU A 43 30.683 27.120 17.260 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.462 27.869 16.204 1.00 49.73 H new ATOM 0 HD21 LEU A 43 30.319 30.781 16.730 1.00 49.73 H new ATOM 0 HD22 LEU A 43 28.633 30.213 16.746 1.00 49.73 H new ATOM 0 HD23 LEU A 43 29.300 31.058 18.163 1.00 49.73 H new ATOM 697 N ILE A 44 26.112 29.752 20.361 1.00 49.53 N ATOM 698 CA ILE A 44 24.752 29.519 20.833 1.00 50.07 C ATOM 699 C ILE A 44 23.749 29.389 19.692 1.00 50.51 C ATOM 700 O ILE A 44 23.740 30.149 18.745 1.00 49.49 O ATOM 701 CB ILE A 44 24.288 30.642 21.778 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.194 30.712 23.010 1.00 49.82 C ATOM 703 CG2 ILE A 44 22.840 30.427 22.190 1.00 49.73 C ATOM 704 CD1 ILE A 44 24.797 31.781 24.002 1.00 49.73 C ATOM 0 H ILE A 44 26.238 30.652 19.898 1.00 49.53 H new ATOM 0 HA ILE A 44 24.783 28.572 21.372 1.00 50.07 H new ATOM 0 HB ILE A 44 24.356 31.591 21.247 1.00 49.91 H new ATOM 0 HG12 ILE A 44 25.185 29.744 23.511 1.00 49.82 H new ATOM 0 HG13 ILE A 44 26.219 30.894 22.686 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.529 31.230 22.858 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.206 30.426 21.303 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.746 29.471 22.704 1.00 49.73 H new ATOM 0 HD11 ILE A 44 25.486 31.768 24.846 1.00 49.73 H new ATOM 0 HD12 ILE A 44 24.834 32.757 23.519 1.00 49.73 H new ATOM 0 HD13 ILE A 44 23.784 31.590 24.357 1.00 49.73 H new ATOM 716 N PHE A 45 22.854 28.376 19.841 1.00 49.53 N ATOM 717 CA PHE A 45 21.784 28.145 18.856 1.00 50.07 C ATOM 718 C PHE A 45 20.634 27.298 19.431 1.00 50.51 C ATOM 719 O PHE A 45 20.833 26.280 20.095 1.00 49.49 O ATOM 720 CB PHE A 45 22.353 27.471 17.605 1.00 49.82 C ATOM 721 CG PHE A 45 21.349 27.294 16.503 1.00 50.00 C ATOM 722 CD1 PHE A 45 20.771 28.396 15.889 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.979 26.028 16.077 1.00 49.88 C ATOM 724 CE1 PHE A 45 19.847 28.235 14.874 1.00 49.88 C ATOM 725 CE2 PHE A 45 20.057 25.864 15.062 1.00 49.88 C ATOM 726 CZ PHE A 45 19.490 26.969 14.461 1.00 49.88 C ATOM 0 H PHE A 45 22.858 27.721 20.623 1.00 49.53 H new ATOM 0 HA PHE A 45 21.373 29.120 18.593 1.00 50.07 H new ATOM 0 HB2 PHE A 45 23.188 28.064 17.232 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.753 26.495 17.880 1.00 49.82 H new ATOM 0 HD1 PHE A 45 21.046 29.390 16.208 1.00 49.88 H new ATOM 0 HD2 PHE A 45 21.417 25.159 16.545 1.00 49.88 H new ATOM 0 HE1 PHE A 45 19.405 29.101 14.404 1.00 49.88 H new ATOM 0 HE2 PHE A 45 19.780 24.871 14.739 1.00 49.88 H new ATOM 0 HZ PHE A 45 18.768 26.842 13.668 1.00 49.88 H new ATOM 736 N ALA A 46 19.460 27.831 19.196 1.00 49.53 N ATOM 737 CA ALA A 46 18.187 27.194 19.591 1.00 50.07 C ATOM 738 C ALA A 46 18.006 27.228 21.101 1.00 50.51 C ATOM 739 O ALA A 46 17.518 26.272 21.722 1.00 49.49 O ATOM 740 CB ALA A 46 18.130 25.788 19.087 1.00 49.73 C ATOM 0 H ALA A 46 19.339 28.726 18.722 1.00 49.53 H new ATOM 0 HA ALA A 46 17.370 27.759 19.141 1.00 50.07 H new ATOM 0 HB1 ALA A 46 17.186 25.332 19.386 1.00 49.73 H new ATOM 0 HB2 ALA A 46 18.204 25.788 18.000 1.00 49.73 H new ATOM 0 HB3 ALA A 46 18.958 25.217 19.507 1.00 49.73 H new ATOM 746 N GLY A 47 18.413 28.327 21.665 1.00 49.53 N ATOM 747 CA GLY A 47 18.394 28.675 23.055 1.00 49.98 C ATOM 748 C GLY A 47 19.274 27.825 23.934 1.00 50.51 C ATOM 749 O GLY A 47 19.078 27.802 25.170 1.00 49.49 O ATOM 0 H GLY A 47 18.808 29.081 21.102 1.00 49.53 H new ATOM 0 HA2 GLY A 47 18.700 29.716 23.158 1.00 49.98 H new ATOM 0 HA3 GLY A 47 17.368 28.606 23.418 1.00 49.98 H new ATOM 753 N LYS A 48 20.257 27.175 23.373 1.00 49.53 N ATOM 754 CA LYS A 48 21.205 26.358 24.143 1.00 50.07 C ATOM 755 C LYS A 48 22.698 26.627 23.872 1.00 50.51 C ATOM 756 O LYS A 48 23.002 27.203 22.838 1.00 49.49 O ATOM 757 CB LYS A 48 20.912 24.875 23.915 1.00 49.82 C ATOM 758 CG LYS A 48 19.574 24.404 24.473 1.00 49.82 C ATOM 759 CD LYS A 48 19.398 22.904 24.298 1.00 49.82 C ATOM 760 CE LYS A 48 18.051 22.438 24.830 1.00 50.21 C ATOM 761 NZ LYS A 48 16.922 22.938 23.999 1.00 49.70 N ATOM 0 H LYS A 48 20.439 27.186 22.369 1.00 49.53 H new ATOM 0 HA LYS A 48 21.044 26.651 25.181 1.00 50.07 H new ATOM 0 HB2 LYS A 48 20.937 24.673 22.844 1.00 49.82 H new ATOM 0 HB3 LYS A 48 21.709 24.286 24.369 1.00 49.82 H new ATOM 0 HG2 LYS A 48 19.509 24.659 25.531 1.00 49.82 H new ATOM 0 HG3 LYS A 48 18.763 24.929 23.969 1.00 49.82 H new ATOM 0 HD2 LYS A 48 19.483 22.647 23.242 1.00 49.82 H new ATOM 0 HD3 LYS A 48 20.198 22.379 24.819 1.00 49.82 H new ATOM 0 HE2 LYS A 48 18.028 21.349 24.855 1.00 50.21 H new ATOM 0 HE3 LYS A 48 17.927 22.783 25.856 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 16.042 22.466 24.289 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 16.823 23.965 24.129 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 17.111 22.733 22.997 1.00 49.70 H new ATOM 775 N GLN A 49 23.562 26.210 24.757 1.00 49.53 N ATOM 776 CA GLN A 49 25.023 26.333 24.493 1.00 50.07 C ATOM 777 C GLN A 49 25.422 25.100 23.687 1.00 50.51 C ATOM 778 O GLN A 49 25.046 23.969 24.092 1.00 49.49 O ATOM 779 CB GLN A 49 25.819 26.401 25.800 1.00 49.82 C ATOM 780 CG GLN A 49 27.280 26.773 25.620 1.00 49.82 C ATOM 781 CD GLN A 49 28.109 26.477 26.856 1.00 50.55 C ATOM 782 OE1 GLN A 49 28.399 25.318 27.163 1.00 49.45 O ATOM 783 NE2 GLN A 49 28.491 27.527 27.575 1.00 49.38 N ATOM 0 H GLN A 49 23.318 25.789 25.653 1.00 49.53 H new ATOM 0 HA GLN A 49 25.240 27.252 23.948 1.00 50.07 H new ATOM 0 HB2 GLN A 49 25.349 27.129 26.461 1.00 49.82 H new ATOM 0 HB3 GLN A 49 25.761 25.433 26.299 1.00 49.82 H new ATOM 0 HG2 GLN A 49 27.690 26.225 24.771 1.00 49.82 H new ATOM 0 HG3 GLN A 49 27.355 27.834 25.381 1.00 49.82 H new ATOM 0 HE21 GLN A 49 28.228 28.468 27.283 1.00 49.38 H new ATOM 0 HE22 GLN A 49 29.047 27.392 28.419 1.00 49.38 H new ATOM 792 N LEU A 50 26.137 25.281 22.602 1.00 49.53 N ATOM 793 CA LEU A 50 26.501 24.173 21.705 1.00 50.07 C ATOM 794 C LEU A 50 27.666 23.463 22.373 1.00 50.51 C ATOM 795 O LEU A 50 28.424 24.131 23.049 1.00 49.49 O ATOM 796 CB LEU A 50 26.890 24.697 20.316 1.00 49.82 C ATOM 797 CG LEU A 50 25.853 25.607 19.648 1.00 49.91 C ATOM 798 CD1 LEU A 50 26.394 26.133 18.325 1.00 49.73 C ATOM 799 CD2 LEU A 50 24.561 24.833 19.431 1.00 49.73 C ATOM 0 H LEU A 50 26.489 26.191 22.304 1.00 49.53 H new ATOM 0 HA LEU A 50 25.663 23.493 21.549 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.829 25.244 20.402 1.00 49.82 H new ATOM 0 HB3 LEU A 50 27.076 23.845 19.663 1.00 49.82 H new ATOM 0 HG LEU A 50 25.647 26.459 20.296 1.00 49.91 H new ATOM 0 HD11 LEU A 50 25.650 26.778 17.858 1.00 49.73 H new ATOM 0 HD12 LEU A 50 27.306 26.702 18.505 1.00 49.73 H new ATOM 0 HD13 LEU A 50 26.614 25.295 17.663 1.00 49.73 H new ATOM 0 HD21 LEU A 50 23.824 25.481 18.956 1.00 49.73 H new ATOM 0 HD22 LEU A 50 24.755 23.973 18.790 1.00 49.73 H new ATOM 0 HD23 LEU A 50 24.177 24.490 20.392 1.00 49.73 H new ATOM 811 N GLU A 51 27.811 22.159 22.128 1.00 49.53 N ATOM 812 CA GLU A 51 28.889 21.387 22.782 1.00 50.07 C ATOM 813 C GLU A 51 29.831 20.834 21.748 1.00 50.51 C ATOM 814 O GLU A 51 29.371 20.385 20.700 1.00 49.49 O ATOM 815 CB GLU A 51 28.304 20.253 23.627 1.00 49.82 C ATOM 816 CG GLU A 51 27.528 20.718 24.852 1.00 49.72 C ATOM 817 CD GLU A 51 28.419 21.453 25.815 1.00 50.62 C ATOM 818 OE1 GLU A 51 29.421 20.905 26.205 1.00 49.24 O ATOM 819 OE2 GLU A 51 28.156 22.604 26.075 1.00 49.24 O ATOM 0 H GLU A 51 27.216 21.619 21.499 1.00 49.53 H new ATOM 0 HA GLU A 51 29.442 22.056 23.441 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.645 19.652 23.001 1.00 49.82 H new ATOM 0 HB3 GLU A 51 29.116 19.602 23.952 1.00 49.82 H new ATOM 0 HG2 GLU A 51 26.709 21.368 24.542 1.00 49.72 H new ATOM 0 HG3 GLU A 51 27.081 19.858 25.350 1.00 49.72 H new ATOM 826 N ASP A 52 31.120 20.838 21.976 1.00 49.53 N ATOM 827 CA ASP A 52 32.161 20.419 21.044 1.00 50.07 C ATOM 828 C ASP A 52 31.979 18.970 20.626 1.00 50.51 C ATOM 829 O ASP A 52 32.710 18.512 19.703 1.00 49.49 O ATOM 830 CB ASP A 52 33.546 20.616 21.663 1.00 49.72 C ATOM 831 CG ASP A 52 33.976 22.072 21.792 1.00 50.62 C ATOM 832 OD1 ASP A 52 33.843 22.797 20.835 1.00 49.24 O ATOM 833 OD2 ASP A 52 34.286 22.484 22.884 1.00 49.24 O ATOM 0 H ASP A 52 31.504 21.151 22.868 1.00 49.53 H new ATOM 0 HA ASP A 52 32.078 21.042 20.154 1.00 50.07 H new ATOM 0 HB2 ASP A 52 33.557 20.157 22.652 1.00 49.72 H new ATOM 0 HB3 ASP A 52 34.280 20.085 21.057 1.00 49.72 H new ATOM 838 N GLY A 53 31.152 18.228 21.329 1.00 49.53 N ATOM 839 CA GLY A 53 30.911 16.794 21.089 1.00 49.98 C ATOM 840 C GLY A 53 29.747 16.456 20.215 1.00 50.51 C ATOM 841 O GLY A 53 29.391 15.266 20.057 1.00 49.49 O ATOM 0 H GLY A 53 30.607 18.600 22.107 1.00 49.53 H new ATOM 0 HA2 GLY A 53 31.809 16.366 20.644 1.00 49.98 H new ATOM 0 HA3 GLY A 53 30.769 16.305 22.053 1.00 49.98 H new ATOM 845 N ARG A 54 29.123 17.429 19.562 1.00 49.53 N ATOM 846 CA ARG A 54 28.015 17.163 18.623 1.00 50.07 C ATOM 847 C ARG A 54 28.198 17.685 17.205 1.00 50.51 C ATOM 848 O ARG A 54 29.175 18.408 16.915 1.00 49.49 O ATOM 849 CB ARG A 54 26.685 17.631 19.192 1.00 49.82 C ATOM 850 CG ARG A 54 26.103 16.737 20.276 1.00 49.82 C ATOM 851 CD ARG A 54 24.695 17.044 20.635 1.00 50.20 C ATOM 852 NE ARG A 54 24.144 16.207 21.688 1.00 49.30 N ATOM 853 CZ ARG A 54 23.716 14.941 21.514 1.00 50.64 C ATOM 854 NH1 ARG A 54 23.737 14.376 20.328 1.00 49.20 N ATOM 855 NH2 ARG A 54 23.250 14.289 22.566 1.00 49.20 N ATOM 0 H ARG A 54 29.359 18.417 19.659 1.00 49.53 H new ATOM 0 HA ARG A 54 28.020 16.078 18.520 1.00 50.07 H new ATOM 0 HB2 ARG A 54 26.813 18.634 19.599 1.00 49.82 H new ATOM 0 HB3 ARG A 54 25.964 17.707 18.378 1.00 49.82 H new ATOM 0 HG2 ARG A 54 26.163 15.700 19.945 1.00 49.82 H new ATOM 0 HG3 ARG A 54 26.720 16.823 21.170 1.00 49.82 H new ATOM 0 HD2 ARG A 54 24.632 18.087 20.947 1.00 50.20 H new ATOM 0 HD3 ARG A 54 24.075 16.940 19.744 1.00 50.20 H new ATOM 0 HE ARG A 54 24.077 16.606 22.624 1.00 49.30 H new ATOM 0 HH11 ARG A 54 24.081 14.897 19.521 1.00 49.20 H new ATOM 0 HH12 ARG A 54 23.409 13.417 20.214 1.00 49.20 H new ATOM 0 HH21 ARG A 54 23.222 14.746 23.478 1.00 49.20 H new ATOM 0 HH22 ARG A 54 22.919 13.329 22.466 1.00 49.20 H new ATOM 869 N THR A 55 27.240 17.416 16.354 1.00 49.53 N ATOM 870 CA THR A 55 27.217 17.895 14.953 1.00 50.07 C ATOM 871 C THR A 55 26.202 19.036 14.709 1.00 50.51 C ATOM 872 O THR A 55 25.275 19.218 15.491 1.00 49.49 O ATOM 873 CB THR A 55 26.908 16.744 13.978 1.00 50.14 C ATOM 874 OG1 THR A 55 25.580 16.259 14.211 1.00 49.34 O ATOM 875 CG2 THR A 55 27.899 15.605 14.165 1.00 49.73 C ATOM 0 H THR A 55 26.429 16.849 16.599 1.00 49.53 H new ATOM 0 HA THR A 55 28.216 18.291 14.769 1.00 50.07 H new ATOM 0 HB THR A 55 26.991 17.121 12.959 1.00 50.14 H new ATOM 0 HG1 THR A 55 25.518 15.898 15.120 1.00 49.34 H new ATOM 0 HG21 THR A 55 27.665 14.801 13.468 1.00 49.73 H new ATOM 0 HG22 THR A 55 28.909 15.967 13.975 1.00 49.73 H new ATOM 0 HG23 THR A 55 27.834 15.230 15.186 1.00 49.73 H new ATOM 883 N LEU A 56 26.385 19.732 13.605 1.00 49.53 N ATOM 884 CA LEU A 56 25.472 20.813 13.194 1.00 50.07 C ATOM 885 C LEU A 56 24.019 20.437 12.913 1.00 50.51 C ATOM 886 O LEU A 56 23.175 21.283 13.039 1.00 49.49 O ATOM 887 CB LEU A 56 26.054 21.524 11.967 1.00 49.82 C ATOM 888 CG LEU A 56 27.082 22.620 12.274 1.00 49.91 C ATOM 889 CD1 LEU A 56 28.008 22.167 13.396 1.00 49.73 C ATOM 890 CD2 LEU A 56 27.877 22.940 11.017 1.00 49.73 C ATOM 0 H LEU A 56 27.161 19.576 12.962 1.00 49.53 H new ATOM 0 HA LEU A 56 25.413 21.456 14.072 1.00 50.07 H new ATOM 0 HB2 LEU A 56 26.522 20.779 11.323 1.00 49.82 H new ATOM 0 HB3 LEU A 56 25.234 21.965 11.400 1.00 49.82 H new ATOM 0 HG LEU A 56 26.564 23.522 12.600 1.00 49.91 H new ATOM 0 HD11 LEU A 56 28.735 22.952 13.607 1.00 49.73 H new ATOM 0 HD12 LEU A 56 27.422 21.965 14.292 1.00 49.73 H new ATOM 0 HD13 LEU A 56 28.531 21.260 13.092 1.00 49.73 H new ATOM 0 HD21 LEU A 56 28.607 23.719 11.237 1.00 49.73 H new ATOM 0 HD22 LEU A 56 28.395 22.043 10.676 1.00 49.73 H new ATOM 0 HD23 LEU A 56 27.200 23.287 10.237 1.00 49.73 H new ATOM 902 N SER A 57 23.759 19.146 12.625 1.00 49.53 N ATOM 903 CA SER A 57 22.349 18.783 12.337 1.00 50.07 C ATOM 904 C SER A 57 21.673 18.343 13.618 1.00 50.51 C ATOM 905 O SER A 57 20.408 18.280 13.684 1.00 49.49 O ATOM 906 CB SER A 57 22.288 17.686 11.293 1.00 50.05 C ATOM 907 OG SER A 57 22.971 18.035 10.121 1.00 49.34 O ATOM 0 H SER A 57 24.441 18.389 12.585 1.00 49.53 H new ATOM 0 HA SER A 57 21.826 19.653 11.940 1.00 50.07 H new ATOM 0 HB2 SER A 57 22.717 16.772 11.703 1.00 50.05 H new ATOM 0 HB3 SER A 57 21.246 17.471 11.055 1.00 50.05 H new ATOM 0 HG SER A 57 23.931 18.101 10.309 1.00 49.34 H new ATOM 913 N ASP A 58 22.454 18.066 14.646 1.00 49.53 N ATOM 914 CA ASP A 58 21.894 17.629 15.952 1.00 50.07 C ATOM 915 C ASP A 58 21.174 18.799 16.632 1.00 50.51 C ATOM 916 O ASP A 58 20.319 18.632 17.507 1.00 49.49 O ATOM 917 CB ASP A 58 22.999 17.085 16.861 1.00 49.72 C ATOM 918 CG ASP A 58 23.537 15.722 16.449 1.00 50.62 C ATOM 919 OD1 ASP A 58 22.836 15.008 15.771 1.00 49.24 O ATOM 920 OD2 ASP A 58 24.695 15.468 16.682 1.00 49.24 O ATOM 0 H ASP A 58 23.472 18.129 14.623 1.00 49.53 H new ATOM 0 HA ASP A 58 21.177 16.828 15.771 1.00 50.07 H new ATOM 0 HB2 ASP A 58 23.823 17.798 16.877 1.00 49.72 H new ATOM 0 HB3 ASP A 58 22.615 17.018 17.879 1.00 49.72 H new ATOM 925 N TYR A 59 21.680 19.974 16.391 1.00 49.53 N ATOM 926 CA TYR A 59 21.143 21.224 16.924 1.00 50.07 C ATOM 927 C TYR A 59 20.251 21.826 15.862 1.00 50.51 C ATOM 928 O TYR A 59 19.914 23.020 15.994 1.00 49.49 O ATOM 929 CB TYR A 59 22.268 22.190 17.299 1.00 49.82 C ATOM 930 CG TYR A 59 23.154 21.694 18.420 1.00 50.00 C ATOM 931 CD1 TYR A 59 22.640 21.473 19.689 1.00 49.88 C ATOM 932 CD2 TYR A 59 24.503 21.450 18.207 1.00 49.88 C ATOM 933 CE1 TYR A 59 23.443 21.020 20.716 1.00 49.88 C ATOM 934 CE2 TYR A 59 25.317 20.996 19.227 1.00 49.88 C ATOM 935 CZ TYR A 59 24.782 20.784 20.481 1.00 50.11 C ATOM 936 OH TYR A 59 25.588 20.333 21.502 1.00 49.46 O ATOM 0 H TYR A 59 22.502 20.109 15.802 1.00 49.53 H new ATOM 0 HA TYR A 59 20.575 21.031 17.834 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.883 22.376 16.418 1.00 49.82 H new ATOM 0 HB3 TYR A 59 21.831 23.145 17.590 1.00 49.82 H new ATOM 0 HD1 TYR A 59 21.593 21.659 19.877 1.00 49.88 H new ATOM 0 HD2 TYR A 59 24.924 21.618 17.227 1.00 49.88 H new ATOM 0 HE1 TYR A 59 23.026 20.851 21.698 1.00 49.88 H new ATOM 0 HE2 TYR A 59 26.365 20.808 19.044 1.00 49.88 H new ATOM 0 HH TYR A 59 25.031 20.009 22.240 1.00 49.46 H new ATOM 946 N ASN A 60 19.828 21.118 14.837 1.00 49.53 N ATOM 947 CA ASN A 60 18.957 21.748 13.823 1.00 50.07 C ATOM 948 C ASN A 60 19.539 23.054 13.300 1.00 50.51 C ATOM 949 O ASN A 60 18.807 24.028 13.034 1.00 49.49 O ATOM 950 CB ASN A 60 17.559 21.981 14.366 1.00 49.82 C ATOM 951 CG ASN A 60 16.498 22.033 13.303 1.00 50.55 C ATOM 952 OD1 ASN A 60 15.441 22.650 13.481 1.00 49.45 O ATOM 953 ND2 ASN A 60 16.736 21.321 12.231 1.00 49.38 N ATOM 0 H ASN A 60 20.054 20.137 14.671 1.00 49.53 H new ATOM 0 HA ASN A 60 18.897 21.050 12.988 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.316 21.186 15.071 1.00 49.82 H new ATOM 0 HB3 ASN A 60 17.547 22.917 14.925 1.00 49.82 H new ATOM 0 HD21 ASN A 60 16.033 21.257 11.495 1.00 49.38 H new ATOM 0 HD22 ASN A 60 17.625 20.830 12.132 1.00 49.38 H new ATOM 960 N ILE A 61 20.833 23.073 13.052 1.00 49.53 N ATOM 961 CA ILE A 61 21.491 24.272 12.451 1.00 50.07 C ATOM 962 C ILE A 61 21.238 24.218 10.947 1.00 50.51 C ATOM 963 O ILE A 61 21.997 23.440 10.298 1.00 49.49 O ATOM 964 CB ILE A 61 23.007 24.300 12.723 1.00 49.91 C ATOM 965 CG1 ILE A 61 23.277 24.458 14.222 1.00 49.82 C ATOM 966 CG2 ILE A 61 23.668 25.423 11.938 1.00 49.73 C ATOM 967 CD1 ILE A 61 24.745 24.477 14.580 1.00 49.73 C ATOM 0 H ILE A 61 21.464 22.295 13.245 1.00 49.53 H new ATOM 0 HA ILE A 61 21.075 25.175 12.899 1.00 50.07 H new ATOM 0 HB ILE A 61 23.436 23.354 12.394 1.00 49.91 H new ATOM 0 HG12 ILE A 61 22.816 25.383 14.569 1.00 49.82 H new ATOM 0 HG13 ILE A 61 22.793 23.641 14.757 1.00 49.82 H new ATOM 0 HG21 ILE A 61 24.739 25.428 12.142 1.00 49.73 H new ATOM 0 HG22 ILE A 61 23.502 25.268 10.872 1.00 49.73 H new ATOM 0 HG23 ILE A 61 23.237 26.379 12.237 1.00 49.73 H new ATOM 0 HD11 ILE A 61 24.855 24.592 15.658 1.00 49.73 H new ATOM 0 HD12 ILE A 61 25.208 23.542 14.265 1.00 49.73 H new ATOM 0 HD13 ILE A 61 25.232 25.311 14.075 1.00 49.73 H new ATOM 979 N GLN A 62 20.285 24.954 10.447 1.00 49.53 N ATOM 980 CA GLN A 62 19.898 24.936 9.006 1.00 50.07 C ATOM 981 C GLN A 62 20.592 25.989 8.138 1.00 50.51 C ATOM 982 O GLN A 62 21.520 26.665 8.613 1.00 49.49 O ATOM 983 CB GLN A 62 18.381 25.102 8.872 1.00 49.82 C ATOM 984 CG GLN A 62 17.581 23.892 9.327 1.00 49.82 C ATOM 985 CD GLN A 62 17.698 22.726 8.364 1.00 50.55 C ATOM 986 OE1 GLN A 62 18.055 21.612 8.758 1.00 49.45 O ATOM 987 NE2 GLN A 62 17.401 22.976 7.094 1.00 49.38 N ATOM 0 H GLN A 62 19.731 25.600 11.009 1.00 49.53 H new ATOM 0 HA GLN A 62 20.231 23.967 8.633 1.00 50.07 H new ATOM 0 HB2 GLN A 62 18.069 25.970 9.453 1.00 49.82 H new ATOM 0 HB3 GLN A 62 18.140 25.312 7.830 1.00 49.82 H new ATOM 0 HG2 GLN A 62 17.926 23.581 10.313 1.00 49.82 H new ATOM 0 HG3 GLN A 62 16.532 24.171 9.430 1.00 49.82 H new ATOM 0 HE21 GLN A 62 17.110 23.912 6.813 1.00 49.38 H new ATOM 0 HE22 GLN A 62 17.464 22.232 6.400 1.00 49.38 H new ATOM 996 N LYS A 63 20.185 26.116 6.876 1.00 49.53 N ATOM 997 CA LYS A 63 20.807 27.030 5.944 1.00 50.07 C ATOM 998 C LYS A 63 20.479 28.429 6.456 1.00 50.51 C ATOM 999 O LYS A 63 19.456 28.694 7.069 1.00 49.49 O ATOM 1000 CB LYS A 63 20.275 26.824 4.524 1.00 49.82 C ATOM 1001 CG LYS A 63 20.645 27.931 3.547 1.00 49.82 C ATOM 1002 CD LYS A 63 20.422 27.496 2.107 1.00 49.82 C ATOM 1003 CE LYS A 63 20.823 28.589 1.128 1.00 50.21 C ATOM 1004 NZ LYS A 63 20.610 28.177 -0.286 1.00 49.70 N ATOM 0 H LYS A 63 19.412 25.583 6.479 1.00 49.53 H new ATOM 0 HA LYS A 63 21.883 26.867 5.887 1.00 50.07 H new ATOM 0 HB2 LYS A 63 20.654 25.876 4.141 1.00 49.82 H new ATOM 0 HB3 LYS A 63 19.189 26.740 4.565 1.00 49.82 H new ATOM 0 HG2 LYS A 63 20.048 28.819 3.757 1.00 49.82 H new ATOM 0 HG3 LYS A 63 21.690 28.208 3.687 1.00 49.82 H new ATOM 0 HD2 LYS A 63 21.000 26.594 1.904 1.00 49.82 H new ATOM 0 HD3 LYS A 63 19.372 27.242 1.961 1.00 49.82 H new ATOM 0 HE2 LYS A 63 20.245 29.490 1.334 1.00 50.21 H new ATOM 0 HE3 LYS A 63 21.873 28.842 1.278 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 20.896 28.950 -0.920 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 21.181 27.332 -0.491 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 19.604 27.960 -0.437 1.00 49.70 H new ATOM 1018 N GLU A 64 21.463 29.308 6.217 1.00 49.53 N ATOM 1019 CA GLU A 64 21.438 30.702 6.575 1.00 50.07 C ATOM 1020 C GLU A 64 20.911 31.054 7.934 1.00 50.51 C ATOM 1021 O GLU A 64 20.277 32.117 8.152 1.00 49.49 O ATOM 1022 CB GLU A 64 20.652 31.485 5.521 1.00 49.82 C ATOM 1023 CG GLU A 64 21.243 31.421 4.119 1.00 49.72 C ATOM 1024 CD GLU A 64 20.334 32.071 3.113 1.00 50.62 C ATOM 1025 OE1 GLU A 64 19.283 32.524 3.497 1.00 49.24 O ATOM 1026 OE2 GLU A 64 20.738 32.215 1.984 1.00 49.24 O ATOM 0 H GLU A 64 22.328 29.038 5.748 1.00 49.53 H new ATOM 0 HA GLU A 64 22.492 30.978 6.614 1.00 50.07 H new ATOM 0 HB2 GLU A 64 19.631 31.104 5.489 1.00 49.82 H new ATOM 0 HB3 GLU A 64 20.593 32.529 5.830 1.00 49.82 H new ATOM 0 HG2 GLU A 64 22.214 31.916 4.108 1.00 49.72 H new ATOM 0 HG3 GLU A 64 21.413 30.381 3.841 1.00 49.72 H new ATOM 1033 N SER A 65 21.292 30.240 8.905 1.00 49.53 N ATOM 1034 CA SER A 65 20.981 30.465 10.322 1.00 50.07 C ATOM 1035 C SER A 65 21.838 31.598 10.937 1.00 50.51 C ATOM 1036 O SER A 65 22.841 31.999 10.355 1.00 49.49 O ATOM 1037 CB SER A 65 21.173 29.181 11.105 1.00 50.05 C ATOM 1038 OG SER A 65 22.515 28.780 11.139 1.00 49.34 O ATOM 0 H SER A 65 21.833 29.392 8.737 1.00 49.53 H new ATOM 0 HA SER A 65 19.939 30.778 10.382 1.00 50.07 H new ATOM 0 HB2 SER A 65 20.811 29.320 12.124 1.00 50.05 H new ATOM 0 HB3 SER A 65 20.570 28.391 10.658 1.00 50.05 H new ATOM 0 HG SER A 65 22.776 28.590 12.064 1.00 49.34 H new ATOM 1044 N THR A 66 21.426 32.105 12.067 1.00 49.53 N ATOM 1045 CA THR A 66 22.184 33.122 12.804 1.00 50.07 C ATOM 1046 C THR A 66 22.745 32.494 14.079 1.00 50.51 C ATOM 1047 O THR A 66 21.945 31.945 14.871 1.00 49.49 O ATOM 1048 CB THR A 66 21.310 34.337 13.172 1.00 50.14 C ATOM 1049 OG1 THR A 66 20.701 34.866 11.987 1.00 49.34 O ATOM 1050 CG2 THR A 66 22.151 35.418 13.832 1.00 49.73 C ATOM 0 H THR A 66 20.552 31.834 12.518 1.00 49.53 H new ATOM 0 HA THR A 66 22.990 33.477 12.162 1.00 50.07 H new ATOM 0 HB THR A 66 20.539 34.014 13.872 1.00 50.14 H new ATOM 0 HG1 THR A 66 20.144 35.637 12.222 1.00 49.34 H new ATOM 0 HG21 THR A 66 21.517 36.268 14.085 1.00 49.73 H new ATOM 0 HG22 THR A 66 22.606 35.022 14.740 1.00 49.73 H new ATOM 0 HG23 THR A 66 22.933 35.740 13.145 1.00 49.73 H new ATOM 1058 N LEU A 67 24.071 32.503 14.246 1.00 49.53 N ATOM 1059 CA LEU A 67 24.665 32.014 15.495 1.00 50.07 C ATOM 1060 C LEU A 67 25.159 33.242 16.288 1.00 50.51 C ATOM 1061 O LEU A 67 25.563 34.184 15.587 1.00 49.49 O ATOM 1062 CB LEU A 67 25.819 31.045 15.206 1.00 49.82 C ATOM 1063 CG LEU A 67 25.435 29.792 14.408 1.00 49.91 C ATOM 1064 CD1 LEU A 67 26.629 28.853 14.305 1.00 49.73 C ATOM 1065 CD2 LEU A 67 24.260 29.099 15.084 1.00 49.73 C ATOM 0 H LEU A 67 24.740 32.835 13.551 1.00 49.53 H new ATOM 0 HA LEU A 67 23.926 31.463 16.077 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.594 31.581 14.659 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.256 30.733 16.154 1.00 49.82 H new ATOM 0 HG LEU A 67 25.139 30.079 13.399 1.00 49.91 H new ATOM 0 HD11 LEU A 67 26.347 27.967 13.737 1.00 49.73 H new ATOM 0 HD12 LEU A 67 27.450 29.362 13.799 1.00 49.73 H new ATOM 0 HD13 LEU A 67 26.947 28.557 15.305 1.00 49.73 H new ATOM 0 HD21 LEU A 67 23.987 28.209 14.517 1.00 49.73 H new ATOM 0 HD22 LEU A 67 24.541 28.812 16.097 1.00 49.73 H new ATOM 0 HD23 LEU A 67 23.409 29.779 15.122 1.00 49.73 H new ATOM 1077 N HIS A 68 25.120 33.185 17.570 1.00 49.53 N ATOM 1078 CA HIS A 68 25.629 34.328 18.366 1.00 50.07 C ATOM 1079 C HIS A 68 27.039 33.887 18.754 1.00 50.51 C ATOM 1080 O HIS A 68 27.252 32.734 19.185 1.00 49.49 O ATOM 1081 CB HIS A 68 24.767 34.589 19.605 1.00 49.92 C ATOM 1082 CG HIS A 68 23.502 35.335 19.312 1.00 50.22 C ATOM 1083 ND1 HIS A 68 22.399 34.735 18.741 1.00 49.30 N ATOM 1084 CD2 HIS A 68 23.167 36.632 19.507 1.00 49.95 C ATOM 1085 CE1 HIS A 68 21.439 35.632 18.601 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.879 36.790 19.058 1.00 49.64 N ATOM 0 H HIS A 68 24.759 32.400 18.111 1.00 49.53 H new ATOM 0 HA HIS A 68 25.611 35.266 17.811 1.00 50.07 H new ATOM 0 HB2 HIS A 68 24.517 33.635 20.070 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.352 35.154 20.331 1.00 49.92 H new ATOM 0 HD2 HIS A 68 23.795 37.399 19.936 1.00 49.95 H new ATOM 0 HE1 HIS A 68 20.460 35.449 18.183 1.00 50.25 H new ATOM 0 HE2 HIS A 68 21.348 37.661 19.075 1.00 49.64 H new ATOM 1094 N LEU A 69 27.983 34.812 18.714 1.00 49.53 N ATOM 1095 CA LEU A 69 29.355 34.541 19.130 1.00 50.07 C ATOM 1096 C LEU A 69 29.561 35.326 20.391 1.00 50.51 C ATOM 1097 O LEU A 69 29.199 36.556 20.390 1.00 49.49 O ATOM 1098 CB LEU A 69 30.353 34.959 18.043 1.00 49.82 C ATOM 1099 CG LEU A 69 31.810 34.555 18.303 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.534 34.332 16.983 1.00 49.73 C ATOM 1101 CD2 LEU A 69 32.499 35.638 19.120 1.00 49.73 C ATOM 0 H LEU A 69 27.825 35.768 18.395 1.00 49.53 H new ATOM 0 HA LEU A 69 29.520 33.476 19.296 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.036 34.525 17.095 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.308 36.042 17.928 1.00 49.82 H new ATOM 0 HG LEU A 69 31.834 33.622 18.866 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.567 34.046 17.179 1.00 49.73 H new ATOM 0 HD12 LEU A 69 32.037 33.538 16.425 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.517 35.252 16.399 1.00 49.73 H new ATOM 0 HD21 LEU A 69 33.534 35.351 19.305 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.476 36.579 18.570 1.00 49.73 H new ATOM 0 HD23 LEU A 69 31.981 35.761 20.071 1.00 49.73 H new ATOM 1113 N VAL A 70 30.000 34.729 21.449 1.00 49.53 N ATOM 1114 CA VAL A 70 30.322 35.489 22.692 1.00 50.07 C ATOM 1115 C VAL A 70 31.759 35.176 23.137 1.00 50.51 C ATOM 1116 O VAL A 70 32.082 33.986 23.359 1.00 49.49 O ATOM 1117 CB VAL A 70 29.350 35.149 23.837 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.827 35.766 25.143 1.00 49.73 C ATOM 1119 CG2 VAL A 70 27.945 35.631 23.503 1.00 49.73 C ATOM 0 H VAL A 70 30.156 33.723 21.515 1.00 49.53 H new ATOM 0 HA VAL A 70 30.222 36.550 22.465 1.00 50.07 H new ATOM 0 HB VAL A 70 29.325 34.066 23.957 1.00 49.91 H new ATOM 0 HG11 VAL A 70 29.128 35.515 25.941 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.814 35.376 25.390 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.881 36.849 25.035 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.271 35.383 24.323 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.956 36.711 23.357 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.601 35.145 22.590 1.00 49.73 H new ATOM 1129 N LEU A 71 32.596 36.181 23.236 1.00 49.53 N ATOM 1130 CA LEU A 71 33.989 35.973 23.690 1.00 50.07 C ATOM 1131 C LEU A 71 34.170 35.573 25.130 1.00 50.51 C ATOM 1132 O LEU A 71 34.026 36.400 26.053 1.00 49.49 O ATOM 1133 CB LEU A 71 34.811 37.237 23.407 1.00 49.82 C ATOM 1134 CG LEU A 71 34.934 37.617 21.926 1.00 49.91 C ATOM 1135 CD1 LEU A 71 35.873 38.805 21.769 1.00 49.73 C ATOM 1136 CD2 LEU A 71 35.440 36.422 21.134 1.00 49.73 C ATOM 0 H LEU A 71 32.360 37.148 23.016 1.00 49.53 H new ATOM 0 HA LEU A 71 34.340 35.114 23.118 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.361 38.072 23.944 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.812 37.099 23.815 1.00 49.82 H new ATOM 0 HG LEU A 71 33.955 37.902 21.541 1.00 49.91 H new ATOM 0 HD11 LEU A 71 35.954 39.068 20.714 1.00 49.73 H new ATOM 0 HD12 LEU A 71 35.480 39.656 22.326 1.00 49.73 H new ATOM 0 HD13 LEU A 71 36.858 38.543 22.155 1.00 49.73 H new ATOM 0 HD21 LEU A 71 35.527 36.693 20.082 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.417 36.121 21.513 1.00 49.73 H new ATOM 0 HD23 LEU A 71 34.740 35.593 21.238 1.00 49.73 H new ATOM 1148 N ARG A 72 34.590 34.386 25.364 1.00 49.53 N ATOM 1149 CA ARG A 72 34.872 33.872 26.722 1.00 50.07 C ATOM 1150 C ARG A 72 36.175 34.516 27.188 1.00 50.51 C ATOM 1151 O ARG A 72 37.169 34.240 26.442 1.00 49.49 O ATOM 1152 CB ARG A 72 34.928 32.352 26.777 1.00 49.82 C ATOM 1153 CG ARG A 72 33.600 31.654 26.525 1.00 49.82 C ATOM 1154 CD ARG A 72 33.629 30.186 26.748 1.00 50.20 C ATOM 1155 NE ARG A 72 33.687 29.789 28.145 1.00 49.30 N ATOM 1156 CZ ARG A 72 33.909 28.532 28.575 1.00 50.64 C ATOM 1157 NH1 ARG A 72 34.057 27.542 27.723 1.00 49.20 N ATOM 1158 NH2 ARG A 72 33.950 28.315 29.878 1.00 49.20 N ATOM 0 H ARG A 72 34.762 33.703 24.627 1.00 49.53 H new ATOM 0 HA ARG A 72 34.056 34.139 27.394 1.00 50.07 H new ATOM 0 HB2 ARG A 72 35.651 32.002 26.040 1.00 49.82 H new ATOM 0 HB3 ARG A 72 35.300 32.052 27.757 1.00 49.82 H new ATOM 0 HG2 ARG A 72 32.843 32.093 27.175 1.00 49.82 H new ATOM 0 HG3 ARG A 72 33.290 31.848 25.498 1.00 49.82 H new ATOM 0 HD2 ARG A 72 32.741 29.745 26.295 1.00 50.20 H new ATOM 0 HD3 ARG A 72 34.492 29.770 26.229 1.00 50.20 H new ATOM 0 HE ARG A 72 33.550 30.514 28.850 1.00 49.30 H new ATOM 0 HH11 ARG A 72 34.004 27.720 26.720 1.00 49.20 H new ATOM 0 HH12 ARG A 72 34.225 26.596 28.065 1.00 49.20 H new ATOM 0 HH21 ARG A 72 33.815 29.089 30.528 1.00 49.20 H new ATOM 0 HH22 ARG A 72 34.116 27.373 30.233 1.00 49.20 H new ATOM 1172 N LEU A 73 36.219 35.208 28.278 1.00 49.53 N ATOM 1173 CA LEU A 73 37.492 35.839 28.707 1.00 50.07 C ATOM 1174 C LEU A 73 38.560 34.900 29.252 1.00 50.51 C ATOM 1175 O LEU A 73 38.258 33.807 29.756 1.00 49.49 O ATOM 1176 CB LEU A 73 37.196 36.929 29.744 1.00 49.82 C ATOM 1177 CG LEU A 73 36.315 38.082 29.246 1.00 49.91 C ATOM 1178 CD1 LEU A 73 36.020 39.045 30.388 1.00 49.73 C ATOM 1179 CD2 LEU A 73 37.018 38.801 28.103 1.00 49.73 C ATOM 0 H LEU A 73 35.425 35.368 28.898 1.00 49.53 H new ATOM 0 HA LEU A 73 37.921 36.246 27.791 1.00 50.07 H new ATOM 0 HB2 LEU A 73 36.711 36.468 30.604 1.00 49.82 H new ATOM 0 HB3 LEU A 73 38.142 37.341 30.095 1.00 49.82 H new ATOM 0 HG LEU A 73 35.368 37.685 28.882 1.00 49.91 H new ATOM 0 HD11 LEU A 73 35.394 39.860 30.024 1.00 49.73 H new ATOM 0 HD12 LEU A 73 35.499 38.515 31.185 1.00 49.73 H new ATOM 0 HD13 LEU A 73 36.956 39.450 30.773 1.00 49.73 H new ATOM 0 HD21 LEU A 73 36.392 39.620 27.749 1.00 49.73 H new ATOM 0 HD22 LEU A 73 37.971 39.198 28.454 1.00 49.73 H new ATOM 0 HD23 LEU A 73 37.195 38.101 27.287 1.00 49.73 H new ATOM 1191 N ARG A 74 39.797 35.297 29.000 1.00 49.53 N ATOM 1192 CA ARG A 74 40.973 34.525 29.434 1.00 50.07 C ATOM 1193 C ARG A 74 41.218 34.853 30.904 1.00 50.51 C ATOM 1194 O ARG A 74 41.354 33.947 31.745 1.00 49.49 O ATOM 1195 CB ARG A 74 42.200 34.786 28.573 1.00 49.82 C ATOM 1196 CG ARG A 74 42.008 34.519 27.088 1.00 49.82 C ATOM 1197 CD ARG A 74 43.216 34.767 26.260 1.00 50.20 C ATOM 1198 NE ARG A 74 43.619 36.162 26.184 1.00 49.30 N ATOM 1199 CZ ARG A 74 44.766 36.599 25.628 1.00 50.64 C ATOM 1200 NH1 ARG A 74 45.643 35.753 25.134 1.00 49.20 N ATOM 1201 NH2 ARG A 74 44.998 37.900 25.615 1.00 49.20 N ATOM 0 H ARG A 74 40.024 36.153 28.495 1.00 49.53 H new ATOM 0 HA ARG A 74 40.776 33.460 29.314 1.00 50.07 H new ATOM 0 HB2 ARG A 74 42.504 35.824 28.704 1.00 49.82 H new ATOM 0 HB3 ARG A 74 43.019 34.166 28.936 1.00 49.82 H new ATOM 0 HG2 ARG A 74 41.697 33.483 26.955 1.00 49.82 H new ATOM 0 HG3 ARG A 74 41.195 35.146 26.720 1.00 49.82 H new ATOM 0 HD2 ARG A 74 44.044 34.184 26.664 1.00 50.20 H new ATOM 0 HD3 ARG A 74 43.031 34.400 25.251 1.00 50.20 H new ATOM 0 HE ARG A 74 42.989 36.859 26.580 1.00 49.30 H new ATOM 0 HH11 ARG A 74 45.460 34.750 25.168 1.00 49.20 H new ATOM 0 HH12 ARG A 74 46.507 36.100 24.716 1.00 49.20 H new ATOM 0 HH21 ARG A 74 44.317 38.543 26.019 1.00 49.20 H new ATOM 0 HH22 ARG A 74 45.858 38.261 25.201 1.00 49.20 H new ATOM 1215 N GLY A 75 41.011 36.124 31.229 1.00 49.53 N ATOM 1216 CA GLY A 75 41.177 36.638 32.582 1.00 49.98 C ATOM 1217 C GLY A 75 40.352 37.900 32.745 1.00 50.51 C ATOM 1218 O GLY A 75 39.239 38.038 32.208 1.00 49.49 O ATOM 0 H GLY A 75 40.721 36.832 30.555 1.00 49.53 H new ATOM 0 HA2 GLY A 75 40.863 35.889 33.309 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.228 36.850 32.776 1.00 49.98 H new ATOM 1222 N GLY A 76 40.795 38.705 33.692 1.00 49.53 N ATOM 1223 CA GLY A 76 40.189 39.999 34.041 1.00 49.98 C ATOM 1224 C GLY A 76 39.874 40.137 35.540 1.00 50.51 C ATOM 1225 O GLY A 76 38.763 40.624 35.829 1.00 49.49 O ATOM 0 H GLY A 76 41.610 38.480 34.263 1.00 49.53 H new ATOM 0 HA2 GLY A 76 40.864 40.801 33.743 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.270 40.128 33.470 1.00 49.98 H new