USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 674 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 10 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= -0.0234 USER MOD Set 2.1: A 8 GLN : amide:sc= -0.0287 X(o=-0.057,f=0) USER MOD Set 2.2: A 83 GLN : amide:sc= -0.0287 X(o=-0.057,f=-0.52) USER MOD Set 3.1: A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0145 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.0916 X(o=-0.092,f=-0.059) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.379 X(o=-0.38,f=-0.052) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0541 USER MOD Single : A 28 ASN : amide:sc= -0.02 X(o=-0.02,f=-0.26) USER MOD Single : A 33 GLN : amide:sc= -0.0113 X(o=-0.011,f=-0.28) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -1.81 K(o=-1.8,f=-3.5!) USER MOD Single : A 48 THR OG1 : rot 40:sc= 1.23 USER MOD Single : A 54 LYS NZ :NH3+ 172:sc= -0.462 (180deg=-0.58) USER MOD Single : A 56 ASN : amide:sc= -2.52! C(o=-2.5!,f=-9.4!) USER MOD Single : A 58 THR OG1 : rot 85:sc= 0.95 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 63 SER OG : rot 150:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.739 K(o=0.74,f=-4.7!) USER MOD Single : A 65 HIS : no HD1:sc= -4.39! K(o=-4.4!,f=-5) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -107:sc= -0.36 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.564 -1.028 -4.059 1.00 0.00 N ATOM 2 CA GLY A 1 15.019 -0.963 -4.368 1.00 0.00 C ATOM 3 C GLY A 1 15.867 -0.759 -3.128 1.00 0.00 C ATOM 4 O GLY A 1 16.502 -1.694 -2.641 1.00 0.00 O ATOM 0 H1 GLY A 1 13.028 -1.168 -4.939 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.382 -1.822 -3.412 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.265 -0.139 -3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.323 -1.884 -4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.202 -0.148 -5.068 1.00 0.00 H new ATOM 10 N SER A 2 15.879 0.467 -2.616 1.00 0.00 N ATOM 11 CA SER A 2 16.655 0.793 -1.425 1.00 0.00 C ATOM 12 C SER A 2 16.226 2.138 -0.847 1.00 0.00 C ATOM 13 O SER A 2 15.692 2.205 0.261 1.00 0.00 O ATOM 14 CB SER A 2 18.149 0.821 -1.756 1.00 0.00 C ATOM 15 OG SER A 2 18.419 1.712 -2.825 1.00 0.00 O ATOM 0 H SER A 2 15.359 1.252 -3.008 1.00 0.00 H new ATOM 0 HA SER A 2 16.469 0.021 -0.678 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.714 1.124 -0.875 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.485 -0.182 -2.021 1.00 0.00 H new ATOM 0 HG SER A 2 19.380 1.713 -3.015 1.00 0.00 H new ATOM 21 N HIS A 3 16.465 3.205 -1.602 1.00 0.00 N ATOM 22 CA HIS A 3 16.103 4.547 -1.163 1.00 0.00 C ATOM 23 C HIS A 3 14.630 4.832 -1.441 1.00 0.00 C ATOM 24 O HIS A 3 13.824 4.944 -0.518 1.00 0.00 O ATOM 25 CB HIS A 3 16.981 5.589 -1.861 1.00 0.00 C ATOM 26 CG HIS A 3 17.702 6.494 -0.913 1.00 0.00 C ATOM 27 ND1 HIS A 3 18.821 6.107 -0.205 1.00 0.00 N ATOM 28 CD2 HIS A 3 17.460 7.779 -0.555 1.00 0.00 C ATOM 29 CE1 HIS A 3 19.234 7.112 0.547 1.00 0.00 C ATOM 30 NE2 HIS A 3 18.427 8.137 0.351 1.00 0.00 N ATOM 0 H HIS A 3 16.908 3.166 -2.520 1.00 0.00 H new ATOM 0 HA HIS A 3 16.267 4.608 -0.087 1.00 0.00 H new ATOM 0 HB2 HIS A 3 17.711 5.076 -2.487 1.00 0.00 H new ATOM 0 HB3 HIS A 3 16.359 6.191 -2.524 1.00 0.00 H new ATOM 0 HD2 HIS A 3 16.656 8.404 -0.915 1.00 0.00 H new ATOM 0 HE1 HIS A 3 20.087 7.097 1.209 1.00 0.00 H new ATOM 0 HE2 HIS A 3 18.509 9.049 0.800 1.00 0.00 H new ATOM 39 N MET A 4 14.287 4.949 -2.719 1.00 0.00 N ATOM 40 CA MET A 4 12.911 5.223 -3.120 1.00 0.00 C ATOM 41 C MET A 4 12.428 6.548 -2.539 1.00 0.00 C ATOM 42 O MET A 4 12.073 6.630 -1.362 1.00 0.00 O ATOM 43 CB MET A 4 11.990 4.088 -2.665 1.00 0.00 C ATOM 44 CG MET A 4 12.083 2.845 -3.535 1.00 0.00 C ATOM 45 SD MET A 4 10.922 2.876 -4.915 1.00 0.00 S ATOM 46 CE MET A 4 10.951 1.158 -5.419 1.00 0.00 C ATOM 0 H MET A 4 14.942 4.858 -3.495 1.00 0.00 H new ATOM 0 HA MET A 4 12.883 5.292 -4.207 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.236 3.821 -1.637 1.00 0.00 H new ATOM 0 HB3 MET A 4 10.960 4.445 -2.664 1.00 0.00 H new ATOM 0 HG2 MET A 4 13.098 2.751 -3.921 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.892 1.963 -2.924 1.00 0.00 H new ATOM 0 HE1 MET A 4 10.280 1.016 -6.266 1.00 0.00 H new ATOM 0 HE2 MET A 4 11.965 0.881 -5.708 1.00 0.00 H new ATOM 0 HE3 MET A 4 10.626 0.530 -4.590 1.00 0.00 H new ATOM 56 N GLY A 5 12.420 7.584 -3.371 1.00 0.00 N ATOM 57 CA GLY A 5 11.980 8.893 -2.922 1.00 0.00 C ATOM 58 C GLY A 5 10.950 9.508 -3.849 1.00 0.00 C ATOM 59 O GLY A 5 9.756 9.505 -3.552 1.00 0.00 O ATOM 0 H GLY A 5 12.710 7.541 -4.348 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.558 8.807 -1.921 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.841 9.557 -2.849 1.00 0.00 H new ATOM 63 N LEU A 6 11.413 10.039 -4.976 1.00 0.00 N ATOM 64 CA LEU A 6 10.525 10.662 -5.951 1.00 0.00 C ATOM 65 C LEU A 6 10.094 9.655 -7.014 1.00 0.00 C ATOM 66 O LEU A 6 10.226 9.905 -8.213 1.00 0.00 O ATOM 67 CB LEU A 6 11.215 11.857 -6.610 1.00 0.00 C ATOM 68 CG LEU A 6 11.192 13.150 -5.790 1.00 0.00 C ATOM 69 CD1 LEU A 6 12.581 13.476 -5.260 1.00 0.00 C ATOM 70 CD2 LEU A 6 10.657 14.305 -6.627 1.00 0.00 C ATOM 0 H LEU A 6 12.399 10.050 -5.237 1.00 0.00 H new ATOM 0 HA LEU A 6 9.636 11.011 -5.426 1.00 0.00 H new ATOM 0 HB2 LEU A 6 12.253 11.592 -6.813 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.740 12.046 -7.573 1.00 0.00 H new ATOM 0 HG LEU A 6 10.526 13.002 -4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 6 12.542 14.398 -4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 6 12.928 12.662 -4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 6 13.269 13.602 -6.096 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.648 15.215 -6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.297 14.450 -7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.643 14.077 -6.956 1.00 0.00 H new ATOM 82 N VAL A 7 9.576 8.515 -6.567 1.00 0.00 N ATOM 83 CA VAL A 7 9.126 7.472 -7.479 1.00 0.00 C ATOM 84 C VAL A 7 7.754 6.941 -7.075 1.00 0.00 C ATOM 85 O VAL A 7 7.584 6.404 -5.981 1.00 0.00 O ATOM 86 CB VAL A 7 10.122 6.298 -7.527 1.00 0.00 C ATOM 87 CG1 VAL A 7 9.741 5.317 -8.626 1.00 0.00 C ATOM 88 CG2 VAL A 7 11.541 6.809 -7.726 1.00 0.00 C ATOM 0 H VAL A 7 9.458 8.291 -5.579 1.00 0.00 H new ATOM 0 HA VAL A 7 9.061 7.926 -8.468 1.00 0.00 H new ATOM 0 HB VAL A 7 10.081 5.772 -6.573 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.456 4.495 -8.644 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.742 4.925 -8.434 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.751 5.828 -9.589 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.230 5.965 -7.757 1.00 0.00 H new ATOM 0 HG22 VAL A 7 11.601 7.361 -8.664 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.810 7.467 -6.900 1.00 0.00 H new ATOM 98 N GLN A 8 6.782 7.094 -7.967 1.00 0.00 N ATOM 99 CA GLN A 8 5.424 6.630 -7.705 1.00 0.00 C ATOM 100 C GLN A 8 5.105 5.391 -8.537 1.00 0.00 C ATOM 101 O GLN A 8 5.257 5.397 -9.758 1.00 0.00 O ATOM 102 CB GLN A 8 4.414 7.738 -8.010 1.00 0.00 C ATOM 103 CG GLN A 8 4.625 8.396 -9.363 1.00 0.00 C ATOM 104 CD GLN A 8 3.337 8.927 -9.959 1.00 0.00 C ATOM 105 OE1 GLN A 8 2.958 8.563 -11.073 1.00 0.00 O ATOM 106 NE2 GLN A 8 2.655 9.795 -9.219 1.00 0.00 N ATOM 0 H GLN A 8 6.909 7.536 -8.878 1.00 0.00 H new ATOM 0 HA GLN A 8 5.353 6.367 -6.650 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.407 7.322 -7.971 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.475 8.499 -7.232 1.00 0.00 H new ATOM 0 HG2 GLN A 8 5.337 9.215 -9.258 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.068 7.674 -10.049 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.006 10.069 -8.301 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.781 10.187 -9.569 1.00 0.00 H new ATOM 115 N ARG A 9 4.662 4.331 -7.869 1.00 0.00 N ATOM 116 CA ARG A 9 4.323 3.087 -8.549 1.00 0.00 C ATOM 117 C ARG A 9 3.091 2.441 -7.923 1.00 0.00 C ATOM 118 O ARG A 9 2.849 2.574 -6.724 1.00 0.00 O ATOM 119 CB ARG A 9 5.504 2.116 -8.498 1.00 0.00 C ATOM 120 CG ARG A 9 5.409 0.988 -9.514 1.00 0.00 C ATOM 121 CD ARG A 9 6.461 1.128 -10.605 1.00 0.00 C ATOM 122 NE ARG A 9 6.567 -0.079 -11.421 1.00 0.00 N ATOM 123 CZ ARG A 9 7.067 -1.231 -10.981 1.00 0.00 C ATOM 124 NH1 ARG A 9 7.506 -1.338 -9.733 1.00 0.00 N ATOM 125 NH2 ARG A 9 7.126 -2.281 -11.789 1.00 0.00 N ATOM 0 H ARG A 9 4.530 4.309 -6.858 1.00 0.00 H new ATOM 0 HA ARG A 9 4.098 3.321 -9.589 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.427 2.670 -8.668 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.569 1.688 -7.498 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.533 0.030 -9.008 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.416 0.985 -9.963 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.211 1.976 -11.243 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.428 1.345 -10.151 1.00 0.00 H new ATOM 0 HE ARG A 9 6.238 -0.036 -12.386 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.461 -0.535 -9.106 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.888 -2.223 -9.401 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.788 -2.206 -12.748 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.509 -3.164 -11.451 1.00 0.00 H new ATOM 139 N CYS A 10 2.318 1.740 -8.745 1.00 0.00 N ATOM 140 CA CYS A 10 1.112 1.070 -8.273 1.00 0.00 C ATOM 141 C CYS A 10 1.456 -0.244 -7.581 1.00 0.00 C ATOM 142 O CYS A 10 2.533 -0.803 -7.787 1.00 0.00 O ATOM 143 CB CYS A 10 0.157 0.811 -9.441 1.00 0.00 C ATOM 144 SG CYS A 10 -1.584 1.099 -9.049 1.00 0.00 S ATOM 0 H CYS A 10 2.505 1.621 -9.741 1.00 0.00 H new ATOM 0 HA CYS A 10 0.622 1.723 -7.550 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.441 1.451 -10.277 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.278 -0.220 -9.773 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.311 0.856 -10.099 1.00 0.00 H new ATOM 150 N VAL A 11 0.535 -0.733 -6.757 1.00 0.00 N ATOM 151 CA VAL A 11 0.742 -1.980 -6.033 1.00 0.00 C ATOM 152 C VAL A 11 -0.571 -2.740 -5.862 1.00 0.00 C ATOM 153 O VAL A 11 -1.440 -2.332 -5.093 1.00 0.00 O ATOM 154 CB VAL A 11 1.371 -1.727 -4.647 1.00 0.00 C ATOM 155 CG1 VAL A 11 0.458 -0.862 -3.792 1.00 0.00 C ATOM 156 CG2 VAL A 11 1.679 -3.044 -3.948 1.00 0.00 C ATOM 0 H VAL A 11 -0.362 -0.284 -6.575 1.00 0.00 H new ATOM 0 HA VAL A 11 1.429 -2.584 -6.626 1.00 0.00 H new ATOM 0 HB VAL A 11 2.309 -1.191 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.920 -0.696 -2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.297 0.096 -4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.499 -1.366 -3.657 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.122 -2.843 -2.972 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.757 -3.611 -3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.379 -3.622 -4.552 1.00 0.00 H new ATOM 166 N ILE A 12 -0.705 -3.848 -6.583 1.00 0.00 N ATOM 167 CA ILE A 12 -1.912 -4.664 -6.510 1.00 0.00 C ATOM 168 C ILE A 12 -1.735 -5.820 -5.532 1.00 0.00 C ATOM 169 O ILE A 12 -0.958 -6.742 -5.778 1.00 0.00 O ATOM 170 CB ILE A 12 -2.291 -5.232 -7.892 1.00 0.00 C ATOM 171 CG1 ILE A 12 -2.257 -4.127 -8.950 1.00 0.00 C ATOM 172 CG2 ILE A 12 -3.667 -5.880 -7.837 1.00 0.00 C ATOM 173 CD1 ILE A 12 -1.018 -4.158 -9.818 1.00 0.00 C ATOM 0 H ILE A 12 0.006 -4.201 -7.224 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.713 -4.013 -6.160 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.562 -5.994 -8.168 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.138 -4.217 -9.585 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.319 -3.158 -8.454 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.922 -6.277 -8.820 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.658 -6.691 -7.109 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.408 -5.137 -7.543 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.062 -3.347 -10.545 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.133 -4.038 -9.193 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.965 -5.112 -10.342 1.00 0.00 H new ATOM 185 N ILE A 13 -2.462 -5.765 -4.420 1.00 0.00 N ATOM 186 CA ILE A 13 -2.386 -6.807 -3.404 1.00 0.00 C ATOM 187 C ILE A 13 -3.393 -7.919 -3.682 1.00 0.00 C ATOM 188 O ILE A 13 -4.496 -7.662 -4.165 1.00 0.00 O ATOM 189 CB ILE A 13 -2.641 -6.242 -1.993 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.742 -5.031 -1.733 1.00 0.00 C ATOM 191 CG2 ILE A 13 -2.409 -7.315 -0.939 1.00 0.00 C ATOM 192 CD1 ILE A 13 -2.402 -3.957 -0.896 1.00 0.00 C ATOM 0 H ILE A 13 -3.111 -5.009 -4.200 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.375 -7.213 -3.446 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.681 -5.920 -1.932 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.833 -5.364 -1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.440 -4.601 -2.688 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.594 -6.898 0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.088 -8.150 -1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.379 -7.667 -0.998 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.707 -3.130 -0.752 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.295 -3.596 -1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.680 -4.371 0.074 1.00 0.00 H new ATOM 204 N GLN A 14 -3.005 -9.152 -3.375 1.00 0.00 N ATOM 205 CA GLN A 14 -3.874 -10.303 -3.590 1.00 0.00 C ATOM 206 C GLN A 14 -4.367 -10.869 -2.262 1.00 0.00 C ATOM 207 O GLN A 14 -3.575 -11.142 -1.361 1.00 0.00 O ATOM 208 CB GLN A 14 -3.134 -11.387 -4.376 1.00 0.00 C ATOM 209 CG GLN A 14 -2.394 -10.855 -5.594 1.00 0.00 C ATOM 210 CD GLN A 14 -0.899 -10.750 -5.366 1.00 0.00 C ATOM 211 OE1 GLN A 14 -0.225 -11.749 -5.117 1.00 0.00 O ATOM 212 NE2 GLN A 14 -0.372 -9.534 -5.448 1.00 0.00 N ATOM 0 H GLN A 14 -2.094 -9.380 -2.976 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.738 -9.971 -4.166 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.422 -11.881 -3.715 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.849 -12.144 -4.697 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.583 -11.510 -6.445 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.788 -9.873 -5.854 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.968 -8.733 -5.657 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.629 -9.401 -5.302 1.00 0.00 H new ATOM 221 N LYS A 15 -5.680 -11.041 -2.149 1.00 0.00 N ATOM 222 CA LYS A 15 -6.279 -11.574 -0.931 1.00 0.00 C ATOM 223 C LYS A 15 -6.205 -13.097 -0.910 1.00 0.00 C ATOM 224 O LYS A 15 -6.816 -13.770 -1.739 1.00 0.00 O ATOM 225 CB LYS A 15 -7.735 -11.120 -0.814 1.00 0.00 C ATOM 226 CG LYS A 15 -8.384 -11.499 0.507 1.00 0.00 C ATOM 227 CD LYS A 15 -9.869 -11.784 0.337 1.00 0.00 C ATOM 228 CE LYS A 15 -10.709 -10.549 0.618 1.00 0.00 C ATOM 229 NZ LYS A 15 -12.152 -10.781 0.331 1.00 0.00 N ATOM 0 H LYS A 15 -6.349 -10.819 -2.886 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.716 -11.190 -0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.781 -10.038 -0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.310 -11.556 -1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.888 -12.378 0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.247 -10.691 1.226 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.060 -12.132 -0.678 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.166 -12.588 1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.589 -10.258 1.662 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.347 -9.718 0.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.690 -9.915 0.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.270 -11.034 -0.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.504 -11.557 0.928 1.00 0.00 H new ATOM 243 N ASP A 16 -5.453 -13.634 0.046 1.00 0.00 N ATOM 244 CA ASP A 16 -5.299 -15.079 0.176 1.00 0.00 C ATOM 245 C ASP A 16 -6.370 -15.657 1.098 1.00 0.00 C ATOM 246 O ASP A 16 -7.334 -14.976 1.448 1.00 0.00 O ATOM 247 CB ASP A 16 -3.907 -15.419 0.713 1.00 0.00 C ATOM 248 CG ASP A 16 -2.808 -14.677 -0.020 1.00 0.00 C ATOM 249 OD1 ASP A 16 -2.777 -14.742 -1.267 1.00 0.00 O ATOM 250 OD2 ASP A 16 -1.976 -14.031 0.653 1.00 0.00 O ATOM 0 H ASP A 16 -4.941 -13.091 0.741 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.416 -15.524 -0.812 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.861 -15.176 1.774 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.739 -16.492 0.625 1.00 0.00 H new ATOM 255 N ASP A 17 -6.193 -16.915 1.488 1.00 0.00 N ATOM 256 CA ASP A 17 -7.144 -17.583 2.369 1.00 0.00 C ATOM 257 C ASP A 17 -7.309 -16.813 3.678 1.00 0.00 C ATOM 258 O ASP A 17 -8.374 -16.835 4.293 1.00 0.00 O ATOM 259 CB ASP A 17 -6.684 -19.014 2.659 1.00 0.00 C ATOM 260 CG ASP A 17 -7.437 -20.040 1.835 1.00 0.00 C ATOM 261 OD1 ASP A 17 -8.628 -19.808 1.542 1.00 0.00 O ATOM 262 OD2 ASP A 17 -6.835 -21.077 1.484 1.00 0.00 O ATOM 0 H ASP A 17 -5.400 -17.492 1.208 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.109 -17.614 1.864 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.617 -19.099 2.453 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.823 -19.230 3.718 1.00 0.00 H new ATOM 267 N ASN A 18 -6.246 -16.132 4.096 1.00 0.00 N ATOM 268 CA ASN A 18 -6.274 -15.356 5.329 1.00 0.00 C ATOM 269 C ASN A 18 -6.864 -13.970 5.084 1.00 0.00 C ATOM 270 O ASN A 18 -7.718 -13.505 5.838 1.00 0.00 O ATOM 271 CB ASN A 18 -4.863 -15.234 5.911 1.00 0.00 C ATOM 272 CG ASN A 18 -4.750 -15.854 7.289 1.00 0.00 C ATOM 273 OD1 ASN A 18 -3.787 -16.561 7.588 1.00 0.00 O ATOM 274 ND2 ASN A 18 -5.736 -15.591 8.140 1.00 0.00 N ATOM 0 H ASN A 18 -5.356 -16.103 3.599 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.908 -15.877 6.046 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.153 -15.717 5.239 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.585 -14.181 5.965 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.714 -15.980 9.083 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.515 -15.000 7.851 1.00 0.00 H new ATOM 281 N GLY A 19 -6.399 -13.313 4.025 1.00 0.00 N ATOM 282 CA GLY A 19 -6.890 -11.988 3.700 1.00 0.00 C ATOM 283 C GLY A 19 -5.777 -11.034 3.314 1.00 0.00 C ATOM 284 O GLY A 19 -5.075 -11.255 2.328 1.00 0.00 O ATOM 0 H GLY A 19 -5.691 -13.676 3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.603 -12.060 2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.430 -11.584 4.557 1.00 0.00 H new ATOM 288 N PHE A 20 -5.617 -9.969 4.094 1.00 0.00 N ATOM 289 CA PHE A 20 -4.582 -8.977 3.829 1.00 0.00 C ATOM 290 C PHE A 20 -3.680 -8.794 5.046 1.00 0.00 C ATOM 291 O PHE A 20 -4.119 -8.308 6.088 1.00 0.00 O ATOM 292 CB PHE A 20 -5.214 -7.638 3.444 1.00 0.00 C ATOM 293 CG PHE A 20 -6.268 -7.755 2.379 1.00 0.00 C ATOM 294 CD1 PHE A 20 -5.914 -7.815 1.040 1.00 0.00 C ATOM 295 CD2 PHE A 20 -7.610 -7.806 2.717 1.00 0.00 C ATOM 296 CE1 PHE A 20 -6.881 -7.923 0.058 1.00 0.00 C ATOM 297 CE2 PHE A 20 -8.581 -7.913 1.739 1.00 0.00 C ATOM 298 CZ PHE A 20 -8.216 -7.972 0.408 1.00 0.00 C ATOM 0 H PHE A 20 -6.191 -9.772 4.914 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.975 -9.336 2.998 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.655 -7.185 4.332 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.432 -6.963 3.097 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.871 -7.777 0.761 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.901 -7.762 3.756 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.593 -7.969 -0.982 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -9.624 -7.950 2.015 1.00 0.00 H new ATOM 0 HZ PHE A 20 -8.973 -8.056 -0.357 1.00 0.00 H new ATOM 308 N GLY A 21 -2.417 -9.183 4.905 1.00 0.00 N ATOM 309 CA GLY A 21 -1.475 -9.053 6.001 1.00 0.00 C ATOM 310 C GLY A 21 -0.991 -7.627 6.184 1.00 0.00 C ATOM 311 O GLY A 21 -0.627 -7.224 7.287 1.00 0.00 O ATOM 0 H GLY A 21 -2.029 -9.586 4.052 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.946 -9.395 6.923 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.619 -9.703 5.820 1.00 0.00 H new ATOM 315 N LEU A 22 -0.988 -6.862 5.095 1.00 0.00 N ATOM 316 CA LEU A 22 -0.546 -5.472 5.134 1.00 0.00 C ATOM 317 C LEU A 22 -1.297 -4.685 6.203 1.00 0.00 C ATOM 318 O LEU A 22 -2.526 -4.605 6.181 1.00 0.00 O ATOM 319 CB LEU A 22 -0.751 -4.810 3.770 1.00 0.00 C ATOM 320 CG LEU A 22 -0.019 -5.480 2.605 1.00 0.00 C ATOM 321 CD1 LEU A 22 -0.927 -6.480 1.908 1.00 0.00 C ATOM 322 CD2 LEU A 22 0.480 -4.434 1.618 1.00 0.00 C ATOM 0 H LEU A 22 -1.287 -7.183 4.174 1.00 0.00 H new ATOM 0 HA LEU A 22 0.515 -5.468 5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.818 -4.795 3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.425 -3.772 3.835 1.00 0.00 H new ATOM 0 HG LEU A 22 0.842 -6.018 3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.389 -6.946 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.237 -7.247 2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.807 -5.965 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.998 -4.928 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.367 -3.870 1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.166 -3.755 2.124 1.00 0.00 H new ATOM 334 N THR A 23 -0.551 -4.101 7.135 1.00 0.00 N ATOM 335 CA THR A 23 -1.147 -3.315 8.208 1.00 0.00 C ATOM 336 C THR A 23 -1.020 -1.825 7.911 1.00 0.00 C ATOM 337 O THR A 23 0.083 -1.311 7.725 1.00 0.00 O ATOM 338 CB THR A 23 -0.476 -3.643 9.544 1.00 0.00 C ATOM 339 OG1 THR A 23 -0.291 -5.039 9.683 1.00 0.00 O ATOM 340 CG2 THR A 23 -1.264 -3.162 10.743 1.00 0.00 C ATOM 0 H THR A 23 0.467 -4.157 7.169 1.00 0.00 H new ATOM 0 HA THR A 23 -2.205 -3.569 8.274 1.00 0.00 H new ATOM 0 HB THR A 23 0.480 -3.119 9.524 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.141 -5.228 10.542 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.733 -3.427 11.657 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.381 -2.079 10.691 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.247 -3.633 10.745 1.00 0.00 H new ATOM 348 N VAL A 24 -2.156 -1.137 7.865 1.00 0.00 N ATOM 349 CA VAL A 24 -2.169 0.294 7.584 1.00 0.00 C ATOM 350 C VAL A 24 -2.877 1.071 8.689 1.00 0.00 C ATOM 351 O VAL A 24 -3.799 0.566 9.327 1.00 0.00 O ATOM 352 CB VAL A 24 -2.856 0.594 6.238 1.00 0.00 C ATOM 353 CG1 VAL A 24 -2.095 -0.055 5.091 1.00 0.00 C ATOM 354 CG2 VAL A 24 -4.304 0.126 6.260 1.00 0.00 C ATOM 0 H VAL A 24 -3.078 -1.546 8.018 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.128 0.614 7.534 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.850 1.673 6.082 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.596 0.169 4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.078 0.335 5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.065 -1.135 5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.772 0.347 5.301 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.336 -0.948 6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.842 0.644 7.054 1.00 0.00 H new ATOM 364 N SER A 25 -2.436 2.307 8.905 1.00 0.00 N ATOM 365 CA SER A 25 -3.025 3.163 9.928 1.00 0.00 C ATOM 366 C SER A 25 -2.935 4.629 9.522 1.00 0.00 C ATOM 367 O SER A 25 -1.879 5.103 9.104 1.00 0.00 O ATOM 368 CB SER A 25 -2.321 2.947 11.269 1.00 0.00 C ATOM 369 OG SER A 25 -2.285 1.573 11.612 1.00 0.00 O ATOM 0 H SER A 25 -1.672 2.738 8.384 1.00 0.00 H new ATOM 0 HA SER A 25 -4.077 2.897 10.032 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.305 3.338 11.217 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.838 3.506 12.049 1.00 0.00 H new ATOM 0 HG SER A 25 -1.829 1.462 12.472 1.00 0.00 H new ATOM 375 N GLY A 26 -4.048 5.344 9.644 1.00 0.00 N ATOM 376 CA GLY A 26 -4.069 6.749 9.283 1.00 0.00 C ATOM 377 C GLY A 26 -5.474 7.317 9.235 1.00 0.00 C ATOM 378 O GLY A 26 -6.264 6.959 8.361 1.00 0.00 O ATOM 0 H GLY A 26 -4.936 4.976 9.986 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.477 7.314 10.003 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.596 6.878 8.310 1.00 0.00 H new ATOM 382 N ASP A 27 -5.784 8.207 10.172 1.00 0.00 N ATOM 383 CA ASP A 27 -7.103 8.827 10.229 1.00 0.00 C ATOM 384 C ASP A 27 -7.392 9.599 8.946 1.00 0.00 C ATOM 385 O ASP A 27 -8.183 9.162 8.111 1.00 0.00 O ATOM 386 CB ASP A 27 -7.198 9.763 11.435 1.00 0.00 C ATOM 387 CG ASP A 27 -7.729 9.062 12.670 1.00 0.00 C ATOM 388 OD1 ASP A 27 -8.857 8.531 12.613 1.00 0.00 O ATOM 389 OD2 ASP A 27 -7.015 9.044 13.695 1.00 0.00 O ATOM 0 H ASP A 27 -5.141 8.515 10.901 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.847 8.037 10.334 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.212 10.175 11.650 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.848 10.603 11.189 1.00 0.00 H new ATOM 394 N ASN A 28 -6.740 10.748 8.795 1.00 0.00 N ATOM 395 CA ASN A 28 -6.923 11.579 7.610 1.00 0.00 C ATOM 396 C ASN A 28 -6.207 10.967 6.408 1.00 0.00 C ATOM 397 O ASN A 28 -6.837 10.633 5.405 1.00 0.00 O ATOM 398 CB ASN A 28 -6.405 12.995 7.869 1.00 0.00 C ATOM 399 CG ASN A 28 -7.504 14.037 7.791 1.00 0.00 C ATOM 400 OD1 ASN A 28 -8.332 14.016 6.881 1.00 0.00 O ATOM 401 ND2 ASN A 28 -7.516 14.957 8.748 1.00 0.00 N ATOM 0 H ASN A 28 -6.081 11.124 9.477 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.989 11.630 7.388 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.940 13.034 8.854 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.630 13.234 7.141 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.231 15.684 8.747 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.810 14.937 9.484 1.00 0.00 H new ATOM 408 N PRO A 29 -4.876 10.809 6.497 1.00 0.00 N ATOM 409 CA PRO A 29 -4.076 10.230 5.413 1.00 0.00 C ATOM 410 C PRO A 29 -4.239 8.717 5.325 1.00 0.00 C ATOM 411 O PRO A 29 -5.127 8.141 5.954 1.00 0.00 O ATOM 412 CB PRO A 29 -2.644 10.593 5.806 1.00 0.00 C ATOM 413 CG PRO A 29 -2.674 10.671 7.293 1.00 0.00 C ATOM 414 CD PRO A 29 -4.045 11.177 7.660 1.00 0.00 C ATOM 0 HA PRO A 29 -4.373 10.606 4.434 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.935 9.840 5.462 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.340 11.542 5.365 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.488 9.693 7.738 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.899 11.342 7.663 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.411 10.714 8.576 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -4.043 12.254 7.826 1.00 0.00 H new ATOM 422 N VAL A 30 -3.376 8.077 4.542 1.00 0.00 N ATOM 423 CA VAL A 30 -3.426 6.630 4.377 1.00 0.00 C ATOM 424 C VAL A 30 -2.090 6.093 3.874 1.00 0.00 C ATOM 425 O VAL A 30 -1.753 6.234 2.699 1.00 0.00 O ATOM 426 CB VAL A 30 -4.549 6.216 3.403 1.00 0.00 C ATOM 427 CG1 VAL A 30 -4.412 6.952 2.077 1.00 0.00 C ATOM 428 CG2 VAL A 30 -4.554 4.707 3.191 1.00 0.00 C ATOM 0 H VAL A 30 -2.635 8.537 4.013 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.637 6.200 5.356 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.504 6.496 3.847 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.214 6.645 1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.475 8.027 2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.449 6.712 1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.354 4.439 2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.596 4.395 2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.715 4.206 4.146 1.00 0.00 H new ATOM 438 N PHE A 31 -1.334 5.471 4.773 1.00 0.00 N ATOM 439 CA PHE A 31 -0.034 4.910 4.425 1.00 0.00 C ATOM 440 C PHE A 31 0.118 3.504 4.996 1.00 0.00 C ATOM 441 O PHE A 31 -0.510 3.159 5.995 1.00 0.00 O ATOM 442 CB PHE A 31 1.087 5.811 4.946 1.00 0.00 C ATOM 443 CG PHE A 31 0.892 6.250 6.369 1.00 0.00 C ATOM 444 CD1 PHE A 31 0.986 5.338 7.407 1.00 0.00 C ATOM 445 CD2 PHE A 31 0.615 7.574 6.667 1.00 0.00 C ATOM 446 CE1 PHE A 31 0.807 5.738 8.717 1.00 0.00 C ATOM 447 CE2 PHE A 31 0.435 7.980 7.975 1.00 0.00 C ATOM 448 CZ PHE A 31 0.532 7.062 9.003 1.00 0.00 C ATOM 0 H PHE A 31 -1.600 5.343 5.749 1.00 0.00 H new ATOM 0 HA PHE A 31 0.033 4.851 3.339 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.036 5.281 4.865 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.159 6.693 4.309 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.202 4.302 7.190 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.539 8.297 5.868 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.882 5.017 9.517 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.218 9.015 8.194 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.393 7.378 10.026 1.00 0.00 H new ATOM 458 N VAL A 32 0.958 2.698 4.355 1.00 0.00 N ATOM 459 CA VAL A 32 1.191 1.331 4.803 1.00 0.00 C ATOM 460 C VAL A 32 2.376 1.263 5.760 1.00 0.00 C ATOM 461 O VAL A 32 3.403 1.902 5.536 1.00 0.00 O ATOM 462 CB VAL A 32 1.449 0.380 3.617 1.00 0.00 C ATOM 463 CG1 VAL A 32 1.384 -1.069 4.071 1.00 0.00 C ATOM 464 CG2 VAL A 32 0.456 0.641 2.495 1.00 0.00 C ATOM 0 H VAL A 32 1.487 2.967 3.526 1.00 0.00 H new ATOM 0 HA VAL A 32 0.286 1.012 5.321 1.00 0.00 H new ATOM 0 HB VAL A 32 2.451 0.572 3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.568 -1.725 3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.140 -1.245 4.836 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.396 -1.277 4.483 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.655 -0.040 1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.558 0.480 2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.558 1.670 2.151 1.00 0.00 H new ATOM 474 N GLN A 33 2.224 0.485 6.826 1.00 0.00 N ATOM 475 CA GLN A 33 3.282 0.335 7.818 1.00 0.00 C ATOM 476 C GLN A 33 3.981 -1.014 7.670 1.00 0.00 C ATOM 477 O GLN A 33 5.206 -1.081 7.576 1.00 0.00 O ATOM 478 CB GLN A 33 2.709 0.474 9.230 1.00 0.00 C ATOM 479 CG GLN A 33 3.562 1.330 10.152 1.00 0.00 C ATOM 480 CD GLN A 33 2.734 2.276 10.999 1.00 0.00 C ATOM 481 OE1 GLN A 33 1.898 3.020 10.486 1.00 0.00 O ATOM 482 NE2 GLN A 33 2.963 2.253 12.308 1.00 0.00 N ATOM 0 H GLN A 33 1.379 -0.051 7.025 1.00 0.00 H new ATOM 0 HA GLN A 33 4.016 1.124 7.652 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.711 0.907 9.167 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.599 -0.518 9.668 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.148 0.682 10.804 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.269 1.906 9.556 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.665 1.621 12.692 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.436 2.868 12.929 1.00 0.00 H new ATOM 491 N SER A 34 3.193 -2.085 7.653 1.00 0.00 N ATOM 492 CA SER A 34 3.737 -3.432 7.518 1.00 0.00 C ATOM 493 C SER A 34 3.146 -4.141 6.306 1.00 0.00 C ATOM 494 O SER A 34 2.005 -3.889 5.920 1.00 0.00 O ATOM 495 CB SER A 34 3.462 -4.244 8.784 1.00 0.00 C ATOM 496 OG SER A 34 4.042 -5.534 8.698 1.00 0.00 O ATOM 0 H SER A 34 2.177 -2.046 7.731 1.00 0.00 H new ATOM 0 HA SER A 34 4.814 -3.348 7.375 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.863 -3.719 9.651 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.386 -4.335 8.935 1.00 0.00 H new ATOM 0 HG SER A 34 3.854 -6.033 9.520 1.00 0.00 H new ATOM 502 N VAL A 35 3.933 -5.031 5.706 1.00 0.00 N ATOM 503 CA VAL A 35 3.490 -5.781 4.537 1.00 0.00 C ATOM 504 C VAL A 35 3.882 -7.251 4.646 1.00 0.00 C ATOM 505 O VAL A 35 4.858 -7.595 5.314 1.00 0.00 O ATOM 506 CB VAL A 35 4.079 -5.198 3.239 1.00 0.00 C ATOM 507 CG1 VAL A 35 3.571 -3.784 3.007 1.00 0.00 C ATOM 508 CG2 VAL A 35 5.600 -5.227 3.285 1.00 0.00 C ATOM 0 H VAL A 35 4.881 -5.249 6.012 1.00 0.00 H new ATOM 0 HA VAL A 35 2.404 -5.700 4.502 1.00 0.00 H new ATOM 0 HB VAL A 35 3.751 -5.816 2.403 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.999 -3.390 2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.484 -3.797 2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.865 -3.150 3.843 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.000 -4.811 2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.950 -4.634 4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.941 -6.256 3.398 1.00 0.00 H new ATOM 518 N LYS A 36 3.117 -8.114 3.986 1.00 0.00 N ATOM 519 CA LYS A 36 3.387 -9.546 4.008 1.00 0.00 C ATOM 520 C LYS A 36 4.700 -9.862 3.297 1.00 0.00 C ATOM 521 O LYS A 36 4.734 -10.023 2.077 1.00 0.00 O ATOM 522 CB LYS A 36 2.239 -10.312 3.350 1.00 0.00 C ATOM 523 CG LYS A 36 2.103 -11.744 3.840 1.00 0.00 C ATOM 524 CD LYS A 36 0.976 -11.884 4.851 1.00 0.00 C ATOM 525 CE LYS A 36 1.245 -13.006 5.841 1.00 0.00 C ATOM 526 NZ LYS A 36 1.014 -12.576 7.247 1.00 0.00 N ATOM 0 H LYS A 36 2.305 -7.846 3.429 1.00 0.00 H new ATOM 0 HA LYS A 36 3.474 -9.859 5.048 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.305 -9.782 3.538 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.390 -10.319 2.270 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.916 -12.403 2.992 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.041 -12.065 4.293 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.852 -10.945 5.390 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.040 -12.077 4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.601 -13.855 5.611 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.274 -13.348 5.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.209 -13.370 7.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.646 -11.783 7.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.025 -12.274 7.360 1.00 0.00 H new ATOM 540 N GLU A 37 5.779 -9.951 4.068 1.00 0.00 N ATOM 541 CA GLU A 37 7.095 -10.248 3.512 1.00 0.00 C ATOM 542 C GLU A 37 7.130 -11.650 2.915 1.00 0.00 C ATOM 543 O GLU A 37 6.577 -12.592 3.483 1.00 0.00 O ATOM 544 CB GLU A 37 8.171 -10.111 4.591 1.00 0.00 C ATOM 545 CG GLU A 37 8.178 -8.756 5.277 1.00 0.00 C ATOM 546 CD GLU A 37 8.643 -8.833 6.717 1.00 0.00 C ATOM 547 OE1 GLU A 37 9.782 -9.291 6.949 1.00 0.00 O ATOM 548 OE2 GLU A 37 7.869 -8.437 7.614 1.00 0.00 O ATOM 0 H GLU A 37 5.768 -9.822 5.080 1.00 0.00 H new ATOM 0 HA GLU A 37 7.296 -9.530 2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.022 -10.888 5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.148 -10.286 4.141 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.828 -8.077 4.725 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.174 -8.332 5.246 1.00 0.00 H new ATOM 555 N ASP A 38 7.783 -11.782 1.765 1.00 0.00 N ATOM 556 CA ASP A 38 7.892 -13.070 1.088 1.00 0.00 C ATOM 557 C ASP A 38 6.513 -13.639 0.775 1.00 0.00 C ATOM 558 O ASP A 38 6.324 -14.855 0.748 1.00 0.00 O ATOM 559 CB ASP A 38 8.681 -14.058 1.951 1.00 0.00 C ATOM 560 CG ASP A 38 9.589 -14.949 1.126 1.00 0.00 C ATOM 561 OD1 ASP A 38 10.225 -14.437 0.181 1.00 0.00 O ATOM 562 OD2 ASP A 38 9.660 -16.160 1.423 1.00 0.00 O ATOM 0 H ASP A 38 8.245 -11.012 1.282 1.00 0.00 H new ATOM 0 HA ASP A 38 8.422 -12.915 0.148 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.279 -13.506 2.676 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.986 -14.677 2.517 1.00 0.00 H new ATOM 567 N GLY A 39 5.552 -12.753 0.539 1.00 0.00 N ATOM 568 CA GLY A 39 4.201 -13.186 0.230 1.00 0.00 C ATOM 569 C GLY A 39 3.556 -12.345 -0.853 1.00 0.00 C ATOM 570 O GLY A 39 4.234 -11.856 -1.756 1.00 0.00 O ATOM 0 H GLY A 39 5.684 -11.742 0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.221 -14.229 -0.087 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.592 -13.139 1.133 1.00 0.00 H new ATOM 574 N ALA A 40 2.240 -12.180 -0.765 1.00 0.00 N ATOM 575 CA ALA A 40 1.501 -11.393 -1.745 1.00 0.00 C ATOM 576 C ALA A 40 1.985 -9.948 -1.769 1.00 0.00 C ATOM 577 O ALA A 40 2.137 -9.351 -2.835 1.00 0.00 O ATOM 578 CB ALA A 40 0.011 -11.447 -1.448 1.00 0.00 C ATOM 0 H ALA A 40 1.664 -12.581 -0.025 1.00 0.00 H new ATOM 0 HA ALA A 40 1.681 -11.824 -2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.529 -10.855 -2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.331 -12.481 -1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.177 -11.043 -0.453 1.00 0.00 H new ATOM 584 N ALA A 41 2.227 -9.390 -0.588 1.00 0.00 N ATOM 585 CA ALA A 41 2.694 -8.013 -0.473 1.00 0.00 C ATOM 586 C ALA A 41 4.071 -7.847 -1.107 1.00 0.00 C ATOM 587 O ALA A 41 4.305 -6.915 -1.875 1.00 0.00 O ATOM 588 CB ALA A 41 2.727 -7.588 0.987 1.00 0.00 C ATOM 0 H ALA A 41 2.107 -9.870 0.304 1.00 0.00 H new ATOM 0 HA ALA A 41 1.996 -7.371 -1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.077 -6.558 1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.725 -7.660 1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.402 -8.240 1.541 1.00 0.00 H new ATOM 594 N MET A 42 4.982 -8.759 -0.778 1.00 0.00 N ATOM 595 CA MET A 42 6.335 -8.715 -1.316 1.00 0.00 C ATOM 596 C MET A 42 6.331 -8.967 -2.819 1.00 0.00 C ATOM 597 O MET A 42 7.130 -8.390 -3.559 1.00 0.00 O ATOM 598 CB MET A 42 7.216 -9.750 -0.614 1.00 0.00 C ATOM 599 CG MET A 42 8.680 -9.351 -0.543 1.00 0.00 C ATOM 600 SD MET A 42 9.096 -8.498 0.992 1.00 0.00 S ATOM 601 CE MET A 42 9.622 -6.905 0.362 1.00 0.00 C ATOM 0 H MET A 42 4.806 -9.536 -0.142 1.00 0.00 H new ATOM 0 HA MET A 42 6.741 -7.720 -1.136 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.841 -9.908 0.397 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.132 -10.702 -1.138 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.300 -10.242 -0.638 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.918 -8.705 -1.388 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.912 -6.263 1.193 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.473 -7.041 -0.306 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.801 -6.441 -0.186 1.00 0.00 H new ATOM 611 N ARG A 43 5.425 -9.831 -3.267 1.00 0.00 N ATOM 612 CA ARG A 43 5.316 -10.157 -4.684 1.00 0.00 C ATOM 613 C ARG A 43 4.673 -9.012 -5.458 1.00 0.00 C ATOM 614 O ARG A 43 4.978 -8.792 -6.630 1.00 0.00 O ATOM 615 CB ARG A 43 4.498 -11.436 -4.874 1.00 0.00 C ATOM 616 CG ARG A 43 4.611 -12.029 -6.268 1.00 0.00 C ATOM 617 CD ARG A 43 5.933 -12.753 -6.460 1.00 0.00 C ATOM 618 NE ARG A 43 6.199 -13.048 -7.867 1.00 0.00 N ATOM 619 CZ ARG A 43 7.386 -13.426 -8.334 1.00 0.00 C ATOM 620 NH1 ARG A 43 8.420 -13.552 -7.512 1.00 0.00 N ATOM 621 NH2 ARG A 43 7.541 -13.678 -9.626 1.00 0.00 N ATOM 0 H ARG A 43 4.757 -10.317 -2.669 1.00 0.00 H new ATOM 0 HA ARG A 43 6.322 -10.315 -5.072 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.825 -12.178 -4.145 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.450 -11.222 -4.663 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.787 -12.723 -6.437 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.518 -11.236 -7.010 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.742 -12.142 -6.059 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.923 -13.682 -5.891 1.00 0.00 H new ATOM 0 HE ARG A 43 5.429 -12.959 -8.530 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.307 -13.359 -6.517 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.328 -13.842 -7.875 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.750 -13.582 -10.263 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.451 -13.968 -9.983 1.00 0.00 H new ATOM 635 N ALA A 44 3.780 -8.284 -4.794 1.00 0.00 N ATOM 636 CA ALA A 44 3.093 -7.161 -5.419 1.00 0.00 C ATOM 637 C ALA A 44 4.000 -5.937 -5.519 1.00 0.00 C ATOM 638 O ALA A 44 3.711 -5.000 -6.264 1.00 0.00 O ATOM 639 CB ALA A 44 1.830 -6.819 -4.642 1.00 0.00 C ATOM 0 H ALA A 44 3.516 -8.453 -3.823 1.00 0.00 H new ATOM 0 HA ALA A 44 2.820 -7.457 -6.432 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.326 -5.978 -5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.165 -7.682 -4.631 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.094 -6.551 -3.619 1.00 0.00 H new ATOM 645 N GLY A 45 5.099 -5.948 -4.771 1.00 0.00 N ATOM 646 CA GLY A 45 6.026 -4.832 -4.798 1.00 0.00 C ATOM 647 C GLY A 45 5.604 -3.700 -3.883 1.00 0.00 C ATOM 648 O GLY A 45 5.512 -2.549 -4.310 1.00 0.00 O ATOM 0 H GLY A 45 5.364 -6.710 -4.147 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.017 -5.180 -4.505 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.108 -4.458 -5.818 1.00 0.00 H new ATOM 652 N VAL A 46 5.345 -4.026 -2.621 1.00 0.00 N ATOM 653 CA VAL A 46 4.931 -3.025 -1.643 1.00 0.00 C ATOM 654 C VAL A 46 6.135 -2.462 -0.895 1.00 0.00 C ATOM 655 O VAL A 46 7.203 -3.073 -0.869 1.00 0.00 O ATOM 656 CB VAL A 46 3.934 -3.608 -0.623 1.00 0.00 C ATOM 657 CG1 VAL A 46 3.279 -2.490 0.177 1.00 0.00 C ATOM 658 CG2 VAL A 46 2.883 -4.463 -1.318 1.00 0.00 C ATOM 0 H VAL A 46 5.414 -4.974 -2.251 1.00 0.00 H new ATOM 0 HA VAL A 46 4.441 -2.225 -2.198 1.00 0.00 H new ATOM 0 HB VAL A 46 4.484 -4.249 0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.577 -2.918 0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.045 -1.928 0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.745 -1.823 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.191 -4.863 -0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.334 -3.853 -2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.371 -5.286 -1.840 1.00 0.00 H new ATOM 668 N GLN A 47 5.955 -1.294 -0.286 1.00 0.00 N ATOM 669 CA GLN A 47 7.029 -0.650 0.462 1.00 0.00 C ATOM 670 C GLN A 47 6.555 -0.261 1.859 1.00 0.00 C ATOM 671 O GLN A 47 5.676 0.588 2.013 1.00 0.00 O ATOM 672 CB GLN A 47 7.528 0.588 -0.284 1.00 0.00 C ATOM 673 CG GLN A 47 7.851 0.327 -1.746 1.00 0.00 C ATOM 674 CD GLN A 47 6.613 0.300 -2.621 1.00 0.00 C ATOM 675 OE1 GLN A 47 5.526 0.688 -2.191 1.00 0.00 O ATOM 676 NE2 GLN A 47 6.769 -0.159 -3.858 1.00 0.00 N ATOM 0 H GLN A 47 5.077 -0.775 -0.296 1.00 0.00 H new ATOM 0 HA GLN A 47 7.850 -1.360 0.559 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.771 1.370 -0.222 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.420 0.968 0.215 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.530 1.099 -2.108 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.375 -0.625 -1.834 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.687 -0.471 -4.174 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.971 -0.200 -4.491 1.00 0.00 H new ATOM 685 N THR A 48 7.140 -0.887 2.875 1.00 0.00 N ATOM 686 CA THR A 48 6.772 -0.604 4.258 1.00 0.00 C ATOM 687 C THR A 48 6.945 0.877 4.577 1.00 0.00 C ATOM 688 O THR A 48 7.985 1.469 4.290 1.00 0.00 O ATOM 689 CB THR A 48 7.614 -1.447 5.219 1.00 0.00 C ATOM 690 OG1 THR A 48 7.517 -0.947 6.540 1.00 0.00 O ATOM 691 CG2 THR A 48 9.081 -1.494 4.851 1.00 0.00 C ATOM 0 H THR A 48 7.869 -1.592 2.767 1.00 0.00 H new ATOM 0 HA THR A 48 5.721 -0.864 4.385 1.00 0.00 H new ATOM 0 HB THR A 48 7.208 -2.456 5.147 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.592 -0.678 6.721 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.618 -2.108 5.574 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.193 -1.924 3.856 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.490 -0.484 4.858 1.00 0.00 H new ATOM 699 N GLY A 49 5.916 1.466 5.176 1.00 0.00 N ATOM 700 CA GLY A 49 5.969 2.873 5.529 1.00 0.00 C ATOM 701 C GLY A 49 5.801 3.783 4.327 1.00 0.00 C ATOM 702 O GLY A 49 6.346 4.886 4.297 1.00 0.00 O ATOM 0 H GLY A 49 5.046 0.995 5.424 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.187 3.091 6.257 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.923 3.087 6.012 1.00 0.00 H new ATOM 706 N ASP A 50 5.044 3.323 3.335 1.00 0.00 N ATOM 707 CA ASP A 50 4.809 4.109 2.129 1.00 0.00 C ATOM 708 C ASP A 50 3.473 4.841 2.206 1.00 0.00 C ATOM 709 O ASP A 50 2.557 4.409 2.903 1.00 0.00 O ATOM 710 CB ASP A 50 4.843 3.210 0.890 1.00 0.00 C ATOM 711 CG ASP A 50 3.744 2.165 0.898 1.00 0.00 C ATOM 712 OD1 ASP A 50 2.882 2.211 1.801 1.00 0.00 O ATOM 713 OD2 ASP A 50 3.743 1.298 -0.001 1.00 0.00 O ATOM 0 H ASP A 50 4.584 2.413 3.343 1.00 0.00 H new ATOM 0 HA ASP A 50 5.604 4.851 2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.747 3.826 -0.004 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.811 2.713 0.833 1.00 0.00 H new ATOM 718 N ARG A 51 3.370 5.952 1.483 1.00 0.00 N ATOM 719 CA ARG A 51 2.145 6.745 1.469 1.00 0.00 C ATOM 720 C ARG A 51 1.235 6.311 0.326 1.00 0.00 C ATOM 721 O ARG A 51 1.705 5.982 -0.763 1.00 0.00 O ATOM 722 CB ARG A 51 2.476 8.232 1.338 1.00 0.00 C ATOM 723 CG ARG A 51 1.310 9.146 1.676 1.00 0.00 C ATOM 724 CD ARG A 51 1.147 10.252 0.644 1.00 0.00 C ATOM 725 NE ARG A 51 2.319 11.122 0.585 1.00 0.00 N ATOM 726 CZ ARG A 51 2.544 11.997 -0.392 1.00 0.00 C ATOM 727 NH1 ARG A 51 1.679 12.123 -1.391 1.00 0.00 N ATOM 728 NH2 ARG A 51 3.634 12.751 -0.368 1.00 0.00 N ATOM 0 H ARG A 51 4.120 6.324 0.899 1.00 0.00 H new ATOM 0 HA ARG A 51 1.622 6.580 2.411 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.314 8.468 1.994 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.802 8.435 0.318 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.392 8.561 1.731 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.466 9.587 2.661 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.974 9.810 -0.337 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.266 10.846 0.886 1.00 0.00 H new ATOM 0 HE ARG A 51 3.005 11.055 1.337 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.837 11.548 -1.412 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.856 12.795 -2.137 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.300 12.660 0.399 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.807 13.422 -1.117 1.00 0.00 H new ATOM 742 N ILE A 52 -0.070 6.310 0.581 1.00 0.00 N ATOM 743 CA ILE A 52 -1.044 5.916 -0.429 1.00 0.00 C ATOM 744 C ILE A 52 -1.802 7.125 -0.966 1.00 0.00 C ATOM 745 O ILE A 52 -2.537 7.786 -0.231 1.00 0.00 O ATOM 746 CB ILE A 52 -2.054 4.897 0.131 1.00 0.00 C ATOM 747 CG1 ILE A 52 -1.321 3.756 0.841 1.00 0.00 C ATOM 748 CG2 ILE A 52 -2.933 4.354 -0.985 1.00 0.00 C ATOM 749 CD1 ILE A 52 -2.246 2.799 1.560 1.00 0.00 C ATOM 0 H ILE A 52 -0.476 6.577 1.478 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.485 5.453 -1.242 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.692 5.402 0.857 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.734 3.201 0.109 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.618 4.178 1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.641 3.635 -0.573 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.478 5.175 -1.451 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.310 3.862 -1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.658 2.017 2.040 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.815 3.341 2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.933 2.349 0.843 1.00 0.00 H new ATOM 761 N ILE A 53 -1.618 7.412 -2.250 1.00 0.00 N ATOM 762 CA ILE A 53 -2.283 8.542 -2.884 1.00 0.00 C ATOM 763 C ILE A 53 -3.723 8.196 -3.255 1.00 0.00 C ATOM 764 O ILE A 53 -4.646 8.962 -2.979 1.00 0.00 O ATOM 765 CB ILE A 53 -1.535 8.998 -4.152 1.00 0.00 C ATOM 766 CG1 ILE A 53 -0.047 9.197 -3.849 1.00 0.00 C ATOM 767 CG2 ILE A 53 -2.147 10.281 -4.697 1.00 0.00 C ATOM 768 CD1 ILE A 53 0.826 8.070 -4.355 1.00 0.00 C ATOM 0 H ILE A 53 -1.013 6.876 -2.872 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.282 9.355 -2.158 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.632 8.222 -4.912 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.285 10.133 -4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.087 9.294 -2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.607 10.590 -5.592 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.194 10.108 -4.946 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.078 11.066 -3.943 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.867 8.276 -4.106 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.520 7.134 -3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.721 7.986 -5.437 1.00 0.00 H new ATOM 780 N LYS A 54 -3.906 7.038 -3.881 1.00 0.00 N ATOM 781 CA LYS A 54 -5.234 6.592 -4.288 1.00 0.00 C ATOM 782 C LYS A 54 -5.379 5.083 -4.115 1.00 0.00 C ATOM 783 O LYS A 54 -4.428 4.330 -4.321 1.00 0.00 O ATOM 784 CB LYS A 54 -5.500 6.979 -5.744 1.00 0.00 C ATOM 785 CG LYS A 54 -4.445 6.469 -6.712 1.00 0.00 C ATOM 786 CD LYS A 54 -5.002 6.323 -8.120 1.00 0.00 C ATOM 787 CE LYS A 54 -4.503 7.430 -9.036 1.00 0.00 C ATOM 788 NZ LYS A 54 -4.901 8.779 -8.544 1.00 0.00 N ATOM 0 H LYS A 54 -3.153 6.392 -4.117 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.967 7.084 -3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.473 6.590 -6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.555 8.065 -5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.599 7.156 -6.724 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.069 5.506 -6.367 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.713 5.354 -8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.091 6.342 -8.085 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.417 7.377 -9.112 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.900 7.278 -10.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.431 9.510 -9.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.932 8.887 -8.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.618 8.883 -7.549 1.00 0.00 H new ATOM 802 N VAL A 55 -6.577 4.650 -3.736 1.00 0.00 N ATOM 803 CA VAL A 55 -6.848 3.231 -3.535 1.00 0.00 C ATOM 804 C VAL A 55 -7.991 2.757 -4.429 1.00 0.00 C ATOM 805 O VAL A 55 -9.143 3.148 -4.241 1.00 0.00 O ATOM 806 CB VAL A 55 -7.202 2.930 -2.067 1.00 0.00 C ATOM 807 CG1 VAL A 55 -5.960 3.002 -1.192 1.00 0.00 C ATOM 808 CG2 VAL A 55 -8.273 3.887 -1.567 1.00 0.00 C ATOM 0 H VAL A 55 -7.375 5.261 -3.562 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.937 2.694 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.600 1.917 -2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.230 2.786 -0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.229 2.270 -1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.529 4.001 -1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.509 3.658 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.908 4.911 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.171 3.778 -2.176 1.00 0.00 H new ATOM 818 N ASN A 56 -7.661 1.912 -5.401 1.00 0.00 N ATOM 819 CA ASN A 56 -8.659 1.385 -6.325 1.00 0.00 C ATOM 820 C ASN A 56 -9.335 2.514 -7.098 1.00 0.00 C ATOM 821 O ASN A 56 -10.498 2.404 -7.486 1.00 0.00 O ATOM 822 CB ASN A 56 -9.706 0.569 -5.562 1.00 0.00 C ATOM 823 CG ASN A 56 -9.594 -0.917 -5.840 1.00 0.00 C ATOM 824 OD1 ASN A 56 -8.567 -1.537 -5.561 1.00 0.00 O ATOM 825 ND2 ASN A 56 -10.652 -1.498 -6.396 1.00 0.00 N ATOM 0 H ASN A 56 -6.712 1.578 -5.569 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.153 0.736 -7.040 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.592 0.746 -4.492 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.703 0.913 -5.837 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.633 -2.496 -6.608 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.483 -0.946 -6.611 1.00 0.00 H new ATOM 832 N GLY A 57 -8.598 3.597 -7.320 1.00 0.00 N ATOM 833 CA GLY A 57 -9.144 4.728 -8.047 1.00 0.00 C ATOM 834 C GLY A 57 -9.575 5.858 -7.131 1.00 0.00 C ATOM 835 O GLY A 57 -9.626 7.015 -7.545 1.00 0.00 O ATOM 0 H GLY A 57 -7.633 3.712 -7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.397 5.099 -8.749 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.999 4.397 -8.637 1.00 0.00 H new ATOM 839 N THR A 58 -9.885 5.521 -5.883 1.00 0.00 N ATOM 840 CA THR A 58 -10.314 6.518 -4.908 1.00 0.00 C ATOM 841 C THR A 58 -9.141 7.386 -4.464 1.00 0.00 C ATOM 842 O THR A 58 -8.500 7.110 -3.450 1.00 0.00 O ATOM 843 CB THR A 58 -10.947 5.836 -3.694 1.00 0.00 C ATOM 844 OG1 THR A 58 -11.523 4.593 -4.060 1.00 0.00 O ATOM 845 CG2 THR A 58 -12.028 6.667 -3.037 1.00 0.00 C ATOM 0 H THR A 58 -9.847 4.567 -5.523 1.00 0.00 H new ATOM 0 HA THR A 58 -11.056 7.158 -5.384 1.00 0.00 H new ATOM 0 HB THR A 58 -10.133 5.700 -2.982 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.836 3.895 -4.037 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.435 6.125 -2.183 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.605 7.613 -2.698 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.824 6.862 -3.756 1.00 0.00 H new ATOM 853 N LEU A 59 -8.866 8.436 -5.231 1.00 0.00 N ATOM 854 CA LEU A 59 -7.772 9.346 -4.917 1.00 0.00 C ATOM 855 C LEU A 59 -8.204 10.393 -3.894 1.00 0.00 C ATOM 856 O LEU A 59 -7.373 10.965 -3.189 1.00 0.00 O ATOM 857 CB LEU A 59 -7.275 10.037 -6.189 1.00 0.00 C ATOM 858 CG LEU A 59 -8.368 10.692 -7.037 1.00 0.00 C ATOM 859 CD1 LEU A 59 -7.935 12.078 -7.490 1.00 0.00 C ATOM 860 CD2 LEU A 59 -8.708 9.821 -8.238 1.00 0.00 C ATOM 0 H LEU A 59 -9.386 8.677 -6.075 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.961 8.759 -4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.547 10.799 -5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.751 9.304 -6.802 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.262 10.795 -6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.725 12.528 -8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.743 12.703 -6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.026 11.998 -8.086 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.487 10.303 -8.829 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.818 9.685 -8.853 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.063 8.849 -7.894 1.00 0.00 H new ATOM 872 N VAL A 60 -9.511 10.642 -3.819 1.00 0.00 N ATOM 873 CA VAL A 60 -10.050 11.621 -2.882 1.00 0.00 C ATOM 874 C VAL A 60 -9.593 11.336 -1.455 1.00 0.00 C ATOM 875 O VAL A 60 -9.382 10.183 -1.078 1.00 0.00 O ATOM 876 CB VAL A 60 -11.590 11.641 -2.919 1.00 0.00 C ATOM 877 CG1 VAL A 60 -12.086 12.167 -4.257 1.00 0.00 C ATOM 878 CG2 VAL A 60 -12.149 10.253 -2.643 1.00 0.00 C ATOM 0 H VAL A 60 -10.213 10.179 -4.396 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.669 12.594 -3.192 1.00 0.00 H new ATOM 0 HB VAL A 60 -11.945 12.313 -2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -13.176 12.174 -4.264 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -11.716 13.181 -4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.722 11.524 -5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -13.238 10.287 -2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.786 9.558 -3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -11.824 9.919 -1.658 1.00 0.00 H new ATOM 888 N THR A 61 -9.441 12.394 -0.664 1.00 0.00 N ATOM 889 CA THR A 61 -9.008 12.259 0.722 1.00 0.00 C ATOM 890 C THR A 61 -9.974 12.967 1.666 1.00 0.00 C ATOM 891 O THR A 61 -9.933 14.190 1.807 1.00 0.00 O ATOM 892 CB THR A 61 -7.598 12.825 0.896 1.00 0.00 C ATOM 893 OG1 THR A 61 -7.225 12.830 2.262 1.00 0.00 O ATOM 894 CG2 THR A 61 -7.453 14.240 0.375 1.00 0.00 C ATOM 0 H THR A 61 -9.612 13.355 -0.960 1.00 0.00 H new ATOM 0 HA THR A 61 -8.998 11.198 0.971 1.00 0.00 H new ATOM 0 HB THR A 61 -6.950 12.171 0.312 1.00 0.00 H new ATOM 0 HG1 THR A 61 -6.320 13.194 2.353 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.429 14.581 0.529 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.686 14.261 -0.689 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.139 14.897 0.910 1.00 0.00 H new ATOM 902 N HIS A 62 -10.840 12.194 2.309 1.00 0.00 N ATOM 903 CA HIS A 62 -11.817 12.748 3.240 1.00 0.00 C ATOM 904 C HIS A 62 -12.577 11.637 3.956 1.00 0.00 C ATOM 905 O HIS A 62 -13.780 11.745 4.191 1.00 0.00 O ATOM 906 CB HIS A 62 -12.797 13.661 2.498 1.00 0.00 C ATOM 907 CG HIS A 62 -12.959 15.006 3.135 1.00 0.00 C ATOM 908 ND1 HIS A 62 -14.163 15.466 3.626 1.00 0.00 N ATOM 909 CD2 HIS A 62 -12.061 15.994 3.361 1.00 0.00 C ATOM 910 CE1 HIS A 62 -13.998 16.678 4.125 1.00 0.00 C ATOM 911 NE2 HIS A 62 -12.731 17.021 3.977 1.00 0.00 N ATOM 0 H HIS A 62 -10.886 11.181 2.203 1.00 0.00 H new ATOM 0 HA HIS A 62 -11.281 13.334 3.987 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -12.453 13.793 1.472 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -13.770 13.172 2.448 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -11.012 15.977 3.104 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -14.768 17.285 4.577 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -12.318 17.905 4.273 1.00 0.00 H new ATOM 920 N SER A 63 -11.865 10.568 4.302 1.00 0.00 N ATOM 921 CA SER A 63 -12.473 9.437 4.993 1.00 0.00 C ATOM 922 C SER A 63 -11.608 8.989 6.167 1.00 0.00 C ATOM 923 O SER A 63 -10.656 9.670 6.544 1.00 0.00 O ATOM 924 CB SER A 63 -12.681 8.273 4.022 1.00 0.00 C ATOM 925 OG SER A 63 -12.731 8.728 2.681 1.00 0.00 O ATOM 0 H SER A 63 -10.868 10.462 4.115 1.00 0.00 H new ATOM 0 HA SER A 63 -13.441 9.755 5.380 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.871 7.553 4.135 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.607 7.752 4.267 1.00 0.00 H new ATOM 0 HG SER A 63 -12.389 8.029 2.085 1.00 0.00 H new ATOM 931 N ASN A 64 -11.947 7.839 6.740 1.00 0.00 N ATOM 932 CA ASN A 64 -11.200 7.299 7.871 1.00 0.00 C ATOM 933 C ASN A 64 -10.620 5.928 7.536 1.00 0.00 C ATOM 934 O ASN A 64 -10.696 5.474 6.396 1.00 0.00 O ATOM 935 CB ASN A 64 -12.104 7.198 9.102 1.00 0.00 C ATOM 936 CG ASN A 64 -11.380 7.565 10.382 1.00 0.00 C ATOM 937 OD1 ASN A 64 -10.502 6.835 10.843 1.00 0.00 O ATOM 938 ND2 ASN A 64 -11.746 8.700 10.965 1.00 0.00 N ATOM 0 H ASN A 64 -12.734 7.263 6.440 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.375 7.978 8.088 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -12.964 7.855 8.973 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.489 6.182 9.184 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.295 8.998 11.830 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.479 9.274 10.548 1.00 0.00 H new ATOM 945 N HIS A 65 -10.039 5.277 8.539 1.00 0.00 N ATOM 946 CA HIS A 65 -9.444 3.958 8.350 1.00 0.00 C ATOM 947 C HIS A 65 -10.489 2.953 7.877 1.00 0.00 C ATOM 948 O HIS A 65 -10.203 2.086 7.049 1.00 0.00 O ATOM 949 CB HIS A 65 -8.803 3.473 9.652 1.00 0.00 C ATOM 950 CG HIS A 65 -7.909 2.287 9.472 1.00 0.00 C ATOM 951 ND1 HIS A 65 -7.620 1.742 8.238 1.00 0.00 N ATOM 952 CD2 HIS A 65 -7.232 1.541 10.377 1.00 0.00 C ATOM 953 CE1 HIS A 65 -6.808 0.710 8.393 1.00 0.00 C ATOM 954 NE2 HIS A 65 -6.557 0.569 9.682 1.00 0.00 N ATOM 0 H HIS A 65 -9.967 5.640 9.489 1.00 0.00 H new ATOM 0 HA HIS A 65 -8.673 4.040 7.584 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.228 4.289 10.090 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -9.590 3.220 10.363 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.225 1.684 11.447 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.417 0.089 7.601 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -5.958 -0.147 10.094 1.00 0.00 H new ATOM 963 N LEU A 66 -11.703 3.074 8.408 1.00 0.00 N ATOM 964 CA LEU A 66 -12.793 2.177 8.040 1.00 0.00 C ATOM 965 C LEU A 66 -13.007 2.178 6.529 1.00 0.00 C ATOM 966 O LEU A 66 -13.193 1.125 5.917 1.00 0.00 O ATOM 967 CB LEU A 66 -14.083 2.586 8.756 1.00 0.00 C ATOM 968 CG LEU A 66 -14.736 1.484 9.589 1.00 0.00 C ATOM 969 CD1 LEU A 66 -15.096 0.293 8.713 1.00 0.00 C ATOM 970 CD2 LEU A 66 -13.815 1.056 10.722 1.00 0.00 C ATOM 0 H LEU A 66 -11.956 3.785 9.094 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.523 1.167 8.349 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.867 3.433 9.407 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.800 2.931 8.011 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.654 1.879 10.023 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -15.560 -0.481 9.324 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -15.793 0.609 7.937 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -14.193 -0.104 8.249 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.296 0.271 11.305 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.880 0.679 10.308 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.609 1.911 11.366 1.00 0.00 H new ATOM 982 N GLU A 67 -12.972 3.366 5.933 1.00 0.00 N ATOM 983 CA GLU A 67 -13.154 3.500 4.493 1.00 0.00 C ATOM 984 C GLU A 67 -12.040 2.776 3.749 1.00 0.00 C ATOM 985 O GLU A 67 -12.289 2.059 2.779 1.00 0.00 O ATOM 986 CB GLU A 67 -13.182 4.977 4.093 1.00 0.00 C ATOM 987 CG GLU A 67 -13.842 5.229 2.748 1.00 0.00 C ATOM 988 CD GLU A 67 -15.310 5.591 2.877 1.00 0.00 C ATOM 989 OE1 GLU A 67 -15.609 6.781 3.108 1.00 0.00 O ATOM 990 OE2 GLU A 67 -16.158 4.684 2.749 1.00 0.00 O ATOM 0 H GLU A 67 -12.820 4.247 6.424 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.108 3.047 4.222 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.711 5.543 4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.161 5.357 4.064 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.317 6.035 2.235 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.744 4.339 2.127 1.00 0.00 H new ATOM 997 N VAL A 68 -10.809 2.957 4.218 1.00 0.00 N ATOM 998 CA VAL A 68 -9.661 2.307 3.604 1.00 0.00 C ATOM 999 C VAL A 68 -9.776 0.796 3.748 1.00 0.00 C ATOM 1000 O VAL A 68 -9.587 0.052 2.785 1.00 0.00 O ATOM 1001 CB VAL A 68 -8.337 2.778 4.237 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -7.148 2.178 3.501 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -8.258 4.298 4.241 1.00 0.00 C ATOM 0 H VAL A 68 -10.583 3.547 5.019 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.655 2.580 2.549 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.307 2.432 5.270 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.223 2.522 3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.198 1.090 3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.171 2.491 2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.317 4.612 4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.311 4.668 3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.089 4.704 4.817 1.00 0.00 H new ATOM 1013 N VAL A 69 -10.109 0.353 4.959 1.00 0.00 N ATOM 1014 CA VAL A 69 -10.272 -1.068 5.231 1.00 0.00 C ATOM 1015 C VAL A 69 -11.383 -1.649 4.367 1.00 0.00 C ATOM 1016 O VAL A 69 -11.234 -2.721 3.778 1.00 0.00 O ATOM 1017 CB VAL A 69 -10.599 -1.325 6.715 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -10.582 -2.816 7.016 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -9.625 -0.576 7.616 1.00 0.00 C ATOM 0 H VAL A 69 -10.270 0.959 5.764 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.326 -1.555 4.993 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.603 -0.951 6.917 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.815 -2.977 8.068 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -11.325 -3.320 6.398 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.594 -3.220 6.797 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.872 -0.770 8.660 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.609 -0.915 7.415 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.696 0.494 7.419 1.00 0.00 H new ATOM 1029 N LYS A 70 -12.495 -0.924 4.285 1.00 0.00 N ATOM 1030 CA LYS A 70 -13.629 -1.357 3.481 1.00 0.00 C ATOM 1031 C LYS A 70 -13.252 -1.364 2.005 1.00 0.00 C ATOM 1032 O LYS A 70 -13.653 -2.252 1.253 1.00 0.00 O ATOM 1033 CB LYS A 70 -14.829 -0.439 3.713 1.00 0.00 C ATOM 1034 CG LYS A 70 -15.622 -0.778 4.964 1.00 0.00 C ATOM 1035 CD LYS A 70 -17.093 -0.431 4.803 1.00 0.00 C ATOM 1036 CE LYS A 70 -17.344 1.050 5.036 1.00 0.00 C ATOM 1037 NZ LYS A 70 -18.377 1.591 4.109 1.00 0.00 N ATOM 0 H LYS A 70 -12.633 -0.035 4.766 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.902 -2.369 3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.480 0.591 3.783 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.490 -0.494 2.848 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.520 -1.841 5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.210 -0.235 5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -17.425 -0.704 3.801 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.685 -1.017 5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.663 1.206 6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.413 1.601 4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.519 2.603 4.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -18.061 1.465 3.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -19.273 1.083 4.253 1.00 0.00 H new ATOM 1051 N LEU A 71 -12.471 -0.367 1.600 1.00 0.00 N ATOM 1052 CA LEU A 71 -12.028 -0.256 0.216 1.00 0.00 C ATOM 1053 C LEU A 71 -11.091 -1.405 -0.139 1.00 0.00 C ATOM 1054 O LEU A 71 -11.247 -2.048 -1.176 1.00 0.00 O ATOM 1055 CB LEU A 71 -11.327 1.085 -0.012 1.00 0.00 C ATOM 1056 CG LEU A 71 -12.179 2.152 -0.701 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -11.542 3.525 -0.547 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -12.372 1.812 -2.171 1.00 0.00 C ATOM 0 H LEU A 71 -12.132 0.376 2.212 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.904 -0.309 -0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.995 1.473 0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.433 0.913 -0.611 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.158 2.174 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.162 4.271 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.457 3.770 0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.550 3.519 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.981 2.582 -2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.401 1.762 -2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.873 0.848 -2.259 1.00 0.00 H new ATOM 1070 N ILE A 72 -10.119 -1.663 0.732 1.00 0.00 N ATOM 1071 CA ILE A 72 -9.164 -2.741 0.505 1.00 0.00 C ATOM 1072 C ILE A 72 -9.846 -4.102 0.615 1.00 0.00 C ATOM 1073 O ILE A 72 -9.513 -5.034 -0.115 1.00 0.00 O ATOM 1074 CB ILE A 72 -7.986 -2.680 1.501 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -6.939 -3.744 1.160 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -8.486 -2.856 2.928 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -5.589 -3.167 0.795 1.00 0.00 C ATOM 0 H ILE A 72 -9.973 -1.143 1.597 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.772 -2.611 -0.504 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.516 -1.700 1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.821 -4.413 2.013 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.304 -4.348 0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.643 -2.810 3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.193 -2.061 3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.981 -3.822 3.024 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.897 -3.977 0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.693 -2.521 -0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.203 -2.586 1.633 1.00 0.00 H new ATOM 1089 N LYS A 73 -10.806 -4.206 1.530 1.00 0.00 N ATOM 1090 CA LYS A 73 -11.537 -5.452 1.731 1.00 0.00 C ATOM 1091 C LYS A 73 -12.512 -5.702 0.584 1.00 0.00 C ATOM 1092 O LYS A 73 -12.816 -6.848 0.253 1.00 0.00 O ATOM 1093 CB LYS A 73 -12.295 -5.417 3.059 1.00 0.00 C ATOM 1094 CG LYS A 73 -11.484 -5.933 4.236 1.00 0.00 C ATOM 1095 CD LYS A 73 -11.639 -7.437 4.409 1.00 0.00 C ATOM 1096 CE LYS A 73 -12.124 -7.795 5.805 1.00 0.00 C ATOM 1097 NZ LYS A 73 -13.546 -8.234 5.804 1.00 0.00 N ATOM 0 H LYS A 73 -11.095 -3.443 2.143 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.814 -6.267 1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.605 -4.392 3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.203 -6.012 2.965 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.432 -5.690 4.088 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.802 -5.427 5.147 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.344 -7.818 3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.683 -7.926 4.219 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.499 -8.589 6.214 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.011 -6.932 6.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.838 -8.469 6.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.146 -7.467 5.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.650 -9.073 5.199 1.00 0.00 H new ATOM 1111 N SER A 74 -12.999 -4.622 -0.020 1.00 0.00 N ATOM 1112 CA SER A 74 -13.941 -4.723 -1.129 1.00 0.00 C ATOM 1113 C SER A 74 -13.293 -5.397 -2.334 1.00 0.00 C ATOM 1114 O SER A 74 -12.866 -4.729 -3.275 1.00 0.00 O ATOM 1115 CB SER A 74 -14.453 -3.333 -1.516 1.00 0.00 C ATOM 1116 OG SER A 74 -15.814 -3.171 -1.152 1.00 0.00 O ATOM 0 H SER A 74 -12.756 -3.666 0.241 1.00 0.00 H new ATOM 0 HA SER A 74 -14.783 -5.335 -0.806 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.849 -2.570 -1.025 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.341 -3.187 -2.590 1.00 0.00 H new ATOM 0 HG SER A 74 -16.117 -2.275 -1.408 1.00 0.00 H new ATOM 1122 N GLY A 75 -13.228 -6.724 -2.300 1.00 0.00 N ATOM 1123 CA GLY A 75 -12.633 -7.467 -3.394 1.00 0.00 C ATOM 1124 C GLY A 75 -11.353 -8.170 -2.992 1.00 0.00 C ATOM 1125 O GLY A 75 -10.663 -7.739 -2.068 1.00 0.00 O ATOM 0 H GLY A 75 -13.577 -7.298 -1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.348 -8.204 -3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.426 -6.787 -4.220 1.00 0.00 H new ATOM 1129 N SER A 76 -11.035 -9.258 -3.686 1.00 0.00 N ATOM 1130 CA SER A 76 -9.828 -10.025 -3.396 1.00 0.00 C ATOM 1131 C SER A 76 -8.578 -9.225 -3.746 1.00 0.00 C ATOM 1132 O SER A 76 -7.599 -9.225 -2.998 1.00 0.00 O ATOM 1133 CB SER A 76 -9.838 -11.345 -4.170 1.00 0.00 C ATOM 1134 OG SER A 76 -8.677 -12.107 -3.893 1.00 0.00 O ATOM 0 H SER A 76 -11.596 -9.629 -4.453 1.00 0.00 H new ATOM 0 HA SER A 76 -9.812 -10.240 -2.327 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.726 -11.919 -3.904 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.897 -11.143 -5.239 1.00 0.00 H new ATOM 0 HG SER A 76 -8.082 -12.092 -4.672 1.00 0.00 H new ATOM 1140 N TYR A 77 -8.616 -8.546 -4.887 1.00 0.00 N ATOM 1141 CA TYR A 77 -7.486 -7.741 -5.336 1.00 0.00 C ATOM 1142 C TYR A 77 -7.770 -6.254 -5.155 1.00 0.00 C ATOM 1143 O TYR A 77 -8.919 -5.820 -5.215 1.00 0.00 O ATOM 1144 CB TYR A 77 -7.172 -8.037 -6.804 1.00 0.00 C ATOM 1145 CG TYR A 77 -6.638 -9.431 -7.040 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -7.434 -10.549 -6.819 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -5.336 -9.631 -7.483 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -6.948 -11.824 -7.033 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -4.844 -10.905 -7.701 1.00 0.00 C ATOM 1150 CZ TYR A 77 -5.653 -11.997 -7.474 1.00 0.00 C ATOM 1151 OH TYR A 77 -5.167 -13.265 -7.688 1.00 0.00 O ATOM 0 H TYR A 77 -9.417 -8.537 -5.518 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.621 -8.004 -4.727 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.077 -7.899 -7.395 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.442 -7.312 -7.164 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.449 -10.418 -6.474 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.698 -8.778 -7.660 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.580 -12.682 -6.856 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.830 -11.043 -8.048 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.239 -13.212 -7.998 1.00 0.00 H new ATOM 1161 N VAL A 78 -6.714 -5.477 -4.930 1.00 0.00 N ATOM 1162 CA VAL A 78 -6.852 -4.038 -4.739 1.00 0.00 C ATOM 1163 C VAL A 78 -5.654 -3.288 -5.313 1.00 0.00 C ATOM 1164 O VAL A 78 -4.513 -3.527 -4.918 1.00 0.00 O ATOM 1165 CB VAL A 78 -7.007 -3.683 -3.247 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -5.775 -4.109 -2.462 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -7.269 -2.194 -3.073 1.00 0.00 C ATOM 0 H VAL A 78 -5.755 -5.820 -4.876 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.753 -3.732 -5.271 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.866 -4.228 -2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.905 -3.849 -1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.639 -5.186 -2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.897 -3.597 -2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.375 -1.965 -2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.434 -1.627 -3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.186 -1.922 -3.597 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.922 -2.378 -6.244 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.868 -1.591 -6.870 1.00 0.00 C ATOM 1179 C ALA A 79 -4.854 -0.167 -6.324 1.00 0.00 C ATOM 1180 O ALA A 79 -5.755 0.623 -6.602 1.00 0.00 O ATOM 1181 CB ALA A 79 -5.044 -1.578 -8.381 1.00 0.00 C ATOM 0 H ALA A 79 -6.861 -2.168 -6.581 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.910 -2.055 -6.633 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.249 -0.986 -8.835 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.999 -2.598 -8.761 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.010 -1.140 -8.631 1.00 0.00 H new ATOM 1187 N LEU A 80 -3.826 0.153 -5.544 1.00 0.00 N ATOM 1188 CA LEU A 80 -3.696 1.482 -4.957 1.00 0.00 C ATOM 1189 C LEU A 80 -2.352 2.109 -5.310 1.00 0.00 C ATOM 1190 O LEU A 80 -1.323 1.433 -5.316 1.00 0.00 O ATOM 1191 CB LEU A 80 -3.851 1.405 -3.437 1.00 0.00 C ATOM 1192 CG LEU A 80 -2.861 0.478 -2.732 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -2.533 1.003 -1.343 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -3.421 -0.935 -2.653 1.00 0.00 C ATOM 0 H LEU A 80 -3.071 -0.490 -5.304 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.486 2.111 -5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.743 2.408 -3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.863 1.073 -3.207 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.939 0.451 -3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.827 0.330 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.091 1.996 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.446 1.060 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.704 -1.583 -2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.357 -0.925 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.604 -1.311 -3.660 1.00 0.00 H new ATOM 1206 N THR A 81 -2.369 3.406 -5.601 1.00 0.00 N ATOM 1207 CA THR A 81 -1.151 4.125 -5.951 1.00 0.00 C ATOM 1208 C THR A 81 -0.493 4.710 -4.705 1.00 0.00 C ATOM 1209 O THR A 81 -1.118 5.457 -3.952 1.00 0.00 O ATOM 1210 CB THR A 81 -1.461 5.243 -6.948 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.267 4.758 -8.008 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.223 5.861 -7.559 1.00 0.00 C ATOM 0 H THR A 81 -3.213 3.979 -5.601 1.00 0.00 H new ATOM 0 HA THR A 81 -0.460 3.419 -6.412 1.00 0.00 H new ATOM 0 HB THR A 81 -1.982 6.008 -6.372 1.00 0.00 H new ATOM 0 HG1 THR A 81 -2.457 5.487 -8.635 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.515 6.646 -8.256 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.398 6.288 -6.771 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.341 5.095 -8.091 1.00 0.00 H new ATOM 1220 N VAL A 82 0.773 4.361 -4.493 1.00 0.00 N ATOM 1221 CA VAL A 82 1.515 4.847 -3.335 1.00 0.00 C ATOM 1222 C VAL A 82 2.730 5.663 -3.762 1.00 0.00 C ATOM 1223 O VAL A 82 3.064 5.730 -4.945 1.00 0.00 O ATOM 1224 CB VAL A 82 1.983 3.683 -2.441 1.00 0.00 C ATOM 1225 CG1 VAL A 82 0.789 2.963 -1.834 1.00 0.00 C ATOM 1226 CG2 VAL A 82 2.852 2.718 -3.234 1.00 0.00 C ATOM 0 H VAL A 82 1.305 3.745 -5.107 1.00 0.00 H new ATOM 0 HA VAL A 82 0.835 5.483 -2.768 1.00 0.00 H new ATOM 0 HB VAL A 82 2.583 4.091 -1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.139 2.144 -1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.211 3.662 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.160 2.566 -2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.174 1.902 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.279 2.315 -4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.727 3.245 -3.615 1.00 0.00 H new ATOM 1236 N GLN A 83 3.390 6.283 -2.787 1.00 0.00 N ATOM 1237 CA GLN A 83 4.570 7.095 -3.058 1.00 0.00 C ATOM 1238 C GLN A 83 5.605 6.935 -1.948 1.00 0.00 C ATOM 1239 O GLN A 83 5.266 6.938 -0.765 1.00 0.00 O ATOM 1240 CB GLN A 83 4.180 8.567 -3.201 1.00 0.00 C ATOM 1241 CG GLN A 83 3.969 9.005 -4.641 1.00 0.00 C ATOM 1242 CD GLN A 83 3.537 10.454 -4.753 1.00 0.00 C ATOM 1243 OE1 GLN A 83 3.899 11.288 -3.923 1.00 0.00 O ATOM 1244 NE2 GLN A 83 2.756 10.761 -5.782 1.00 0.00 N ATOM 0 H GLN A 83 3.127 6.238 -1.803 1.00 0.00 H new ATOM 0 HA GLN A 83 5.011 6.752 -3.994 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.265 8.748 -2.638 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.958 9.185 -2.753 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.894 8.861 -5.200 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.215 8.368 -5.104 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.480 10.038 -6.446 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.432 11.720 -5.908 1.00 0.00 H new ATOM 1253 N GLY A 84 6.867 6.793 -2.339 1.00 0.00 N ATOM 1254 CA GLY A 84 7.930 6.632 -1.365 1.00 0.00 C ATOM 1255 C GLY A 84 8.635 7.937 -1.053 1.00 0.00 C ATOM 1256 O GLY A 84 9.835 7.953 -0.778 1.00 0.00 O ATOM 0 H GLY A 84 7.172 6.787 -3.312 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.516 6.218 -0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.656 5.911 -1.741 1.00 0.00 H new ATOM 1260 N ARG A 85 7.888 9.037 -1.096 1.00 0.00 N ATOM 1261 CA ARG A 85 8.447 10.354 -0.816 1.00 0.00 C ATOM 1262 C ARG A 85 8.192 10.757 0.636 1.00 0.00 C ATOM 1263 O ARG A 85 7.056 11.047 1.015 1.00 0.00 O ATOM 1264 CB ARG A 85 7.843 11.396 -1.758 1.00 0.00 C ATOM 1265 CG ARG A 85 8.810 12.508 -2.134 1.00 0.00 C ATOM 1266 CD ARG A 85 8.176 13.492 -3.105 1.00 0.00 C ATOM 1267 NE ARG A 85 8.593 14.867 -2.841 1.00 0.00 N ATOM 1268 CZ ARG A 85 8.110 15.925 -3.488 1.00 0.00 C ATOM 1269 NH1 ARG A 85 7.196 15.771 -4.439 1.00 0.00 N ATOM 1270 NH2 ARG A 85 8.542 17.141 -3.185 1.00 0.00 N ATOM 0 H ARG A 85 6.893 9.041 -1.322 1.00 0.00 H new ATOM 0 HA ARG A 85 9.524 10.306 -0.978 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.503 10.899 -2.666 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.964 11.834 -1.286 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.127 13.036 -1.234 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.705 12.077 -2.583 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.447 13.220 -4.125 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.091 13.422 -3.035 1.00 0.00 H new ATOM 0 HE ARG A 85 9.295 15.025 -2.119 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.860 14.838 -4.677 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.830 16.586 -4.931 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.245 17.266 -2.456 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.172 17.952 -3.681 1.00 0.00 H new ATOM 1284 N PRO A 86 9.245 10.782 1.475 1.00 0.00 N ATOM 1285 CA PRO A 86 9.116 11.153 2.889 1.00 0.00 C ATOM 1286 C PRO A 86 8.474 12.528 3.071 1.00 0.00 C ATOM 1287 O PRO A 86 9.010 13.535 2.610 1.00 0.00 O ATOM 1288 CB PRO A 86 10.563 11.172 3.391 1.00 0.00 C ATOM 1289 CG PRO A 86 11.306 10.287 2.451 1.00 0.00 C ATOM 1290 CD PRO A 86 10.636 10.451 1.116 1.00 0.00 C ATOM 0 HA PRO A 86 8.473 10.461 3.432 1.00 0.00 H new ATOM 0 HB2 PRO A 86 10.970 12.183 3.386 1.00 0.00 H new ATOM 0 HB3 PRO A 86 10.631 10.806 4.415 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.358 10.569 2.398 1.00 0.00 H new ATOM 0 HG3 PRO A 86 11.271 9.249 2.781 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.099 11.243 0.528 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.692 9.539 0.522 1.00 0.00 H new ATOM 1298 N PRO A 87 7.312 12.593 3.749 1.00 0.00 N ATOM 1299 CA PRO A 87 6.608 13.857 3.984 1.00 0.00 C ATOM 1300 C PRO A 87 7.515 14.920 4.596 1.00 0.00 C ATOM 1301 O PRO A 87 7.586 16.046 4.108 1.00 0.00 O ATOM 1302 CB PRO A 87 5.498 13.473 4.964 1.00 0.00 C ATOM 1303 CG PRO A 87 5.262 12.023 4.717 1.00 0.00 C ATOM 1304 CD PRO A 87 6.597 11.444 4.337 1.00 0.00 C ATOM 0 HA PRO A 87 6.240 14.295 3.056 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.800 13.655 5.995 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.595 14.057 4.788 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.864 11.535 5.607 1.00 0.00 H new ATOM 0 HG3 PRO A 87 4.532 11.877 3.921 1.00 0.00 H new ATOM 0 HD2 PRO A 87 7.123 11.044 5.204 1.00 0.00 H new ATOM 0 HD3 PRO A 87 6.492 10.627 3.623 1.00 0.00 H new ATOM 1312 N GLY A 88 8.206 14.552 5.671 1.00 0.00 N ATOM 1313 CA GLY A 88 9.100 15.484 6.331 1.00 0.00 C ATOM 1314 C GLY A 88 8.365 16.434 7.258 1.00 0.00 C ATOM 1315 O GLY A 88 8.494 16.344 8.478 1.00 0.00 O ATOM 0 H GLY A 88 8.162 13.626 6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.844 14.928 6.901 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.640 16.060 5.579 1.00 0.00 H new ATOM 1319 N SER A 89 7.595 17.346 6.674 1.00 0.00 N ATOM 1320 CA SER A 89 6.837 18.318 7.456 1.00 0.00 C ATOM 1321 C SER A 89 5.355 17.962 7.478 1.00 0.00 C ATOM 1322 O SER A 89 4.745 17.904 6.388 1.00 0.00 O ATOM 1323 CB SER A 89 7.028 19.724 6.884 1.00 0.00 C ATOM 1324 OG SER A 89 6.489 20.707 7.751 1.00 0.00 O ATOM 1325 OXT SER A 89 4.815 17.746 8.582 1.00 0.00 O ATOM 0 H SER A 89 7.479 17.433 5.664 1.00 0.00 H new ATOM 0 HA SER A 89 7.212 18.296 8.479 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.090 19.915 6.728 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.546 19.791 5.909 1.00 0.00 H new ATOM 0 HG SER A 89 6.626 21.596 7.363 1.00 0.00 H new TER 1331 SER A 89