USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 884 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: B 9 GLN :FLIP amide:sc= -6.6! C(o=-6!,f=-5.4!) USER MOD Set 1.2: B 11 THR OG1 : rot 142:sc= 1.22 USER MOD Set 2.1: A 71 ASN : amide:sc= -5.88! C(o=-6.8!,f=-8.9!) USER MOD Set 2.2: A 90 SER OG : rot 130:sc= -0.879 USER MOD Single : A 8 THR OG1 : rot -95:sc= -0.825 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.468 F(o=-0.98,f=-0.47) USER MOD Single : A 21 SER OG : rot -24:sc= -1.92 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -148:sc= 0.839 (180deg=-0.67) USER MOD Single : A 33 ASN : amide:sc= -12! C(o=-12!,f=-22!) USER MOD Single : A 35 SER OG : rot 140:sc= -3.24! USER MOD Single : A 36 LYS NZ :NH3+ 177:sc= 1.1 (180deg=1.08) USER MOD Single : A 38 ASN : amide:sc= -2.79! C(o=-2.8!,f=-5.4!) USER MOD Single : A 39 HIS : no HD1:sc= -0.147 K(o=-0.15,f=-1.7) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0274 USER MOD Single : A 51 ASN : amide:sc= 0.564 K(o=0.56,f=-0.9) USER MOD Single : A 56 SER OG : rot -124:sc= -0.768 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.09 X(o=-1.1,f=-1.3) USER MOD Single : A 66 GLN :FLIP amide:sc= -3.49 F(o=-4.9!,f=-3.5) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -105:sc= -0.824 (180deg=-3.05!) USER MOD Single : A 80 ASN : amide:sc= -2.36 K(o=-2.4,f=-4.8!) USER MOD Single : A 81 GLN :FLIP amide:sc= -1.44 F(o=-7.1!,f=-1.4) USER MOD Single : A 84 MET CE :methyl 178:sc= -3.8 (180deg=-3.86!) USER MOD Single : A 86 THR OG1 : rot 74:sc= -0.818 USER MOD Single : A 91 MET CE :methyl 174:sc= -7.83! (180deg=-8.12!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN :FLIP amide:sc= -0.897 F(o=-2.2!,f=-0.9) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -162:sc= -2.38 (180deg=-3.92!) USER MOD Single : A 102 GLN : amide:sc= -3.12 K(o=-3.1,f=-4.3) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : B 6 GLN :FLIP amide:sc= -2.72 F(o=-3.8,f=-2.7) USER MOD Single : B 7 HIS : no HD1:sc= -0.0325 X(o=-0.032,f=0) USER MOD Single : B 8 SER OG : rot -153:sc= 1.15 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -8.536 -10.435 -9.267 1.00 0.00 N ATOM 2 CA GLY A 7 -7.346 -9.656 -9.555 1.00 0.00 C ATOM 3 C GLY A 7 -7.497 -8.204 -9.146 1.00 0.00 C ATOM 4 O GLY A 7 -7.298 -7.300 -9.957 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.494 -10.092 -9.033 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.128 -9.710 -10.622 1.00 0.00 H new ATOM 8 N THR A 8 -7.854 -7.982 -7.886 1.00 0.00 N ATOM 9 CA THR A 8 -8.036 -6.630 -7.370 1.00 0.00 C ATOM 10 C THR A 8 -6.696 -5.931 -7.138 1.00 0.00 C ATOM 11 O THR A 8 -6.655 -4.743 -6.825 1.00 0.00 O ATOM 12 CB THR A 8 -8.836 -6.664 -6.067 1.00 0.00 C ATOM 13 OG1 THR A 8 -8.121 -7.348 -5.054 1.00 0.00 O ATOM 14 CG2 THR A 8 -10.185 -7.337 -6.211 1.00 0.00 C ATOM 0 H THR A 8 -8.023 -8.720 -7.203 1.00 0.00 H new ATOM 0 HA THR A 8 -8.587 -6.062 -8.120 1.00 0.00 H new ATOM 0 HB THR A 8 -8.994 -5.619 -5.800 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.407 -8.285 -5.027 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.701 -7.327 -5.251 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.782 -6.801 -6.949 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.045 -8.368 -6.537 1.00 0.00 H new ATOM 22 N ARG A 9 -5.599 -6.670 -7.296 1.00 0.00 N ATOM 23 CA ARG A 9 -4.269 -6.105 -7.103 1.00 0.00 C ATOM 24 C ARG A 9 -3.867 -5.252 -8.302 1.00 0.00 C ATOM 25 O ARG A 9 -3.615 -5.771 -9.388 1.00 0.00 O ATOM 26 CB ARG A 9 -3.243 -7.219 -6.887 1.00 0.00 C ATOM 27 CG ARG A 9 -3.283 -7.819 -5.492 1.00 0.00 C ATOM 28 CD ARG A 9 -2.697 -6.870 -4.457 1.00 0.00 C ATOM 29 NE ARG A 9 -1.658 -7.509 -3.654 1.00 0.00 N ATOM 30 CZ ARG A 9 -1.277 -7.078 -2.453 1.00 0.00 C ATOM 31 NH1 ARG A 9 -1.846 -6.009 -1.912 1.00 0.00 N ATOM 32 NH2 ARG A 9 -0.324 -7.720 -1.791 1.00 0.00 N ATOM 0 H ARG A 9 -5.607 -7.656 -7.556 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.294 -5.471 -6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.417 -8.008 -7.618 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.245 -6.824 -7.075 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.313 -8.056 -5.227 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.727 -8.757 -5.483 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.281 -5.997 -4.960 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.492 -6.512 -3.803 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.197 -8.335 -4.036 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.580 -5.512 -2.416 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.549 -5.684 -0.992 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.117 -8.543 -2.202 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.031 -7.391 -0.871 1.00 0.00 H new ATOM 46 N GLU A 10 -3.814 -3.939 -8.097 1.00 0.00 N ATOM 47 CA GLU A 10 -3.449 -3.014 -9.163 1.00 0.00 C ATOM 48 C GLU A 10 -2.305 -2.102 -8.732 1.00 0.00 C ATOM 49 O GLU A 10 -2.010 -1.976 -7.541 1.00 0.00 O ATOM 50 CB GLU A 10 -4.658 -2.173 -9.572 1.00 0.00 C ATOM 51 CG GLU A 10 -5.277 -1.398 -8.420 1.00 0.00 C ATOM 52 CD GLU A 10 -5.906 -0.092 -8.865 1.00 0.00 C ATOM 53 OE1 GLU A 10 -6.167 0.060 -10.078 1.00 0.00 O ATOM 54 OE2 GLU A 10 -6.138 0.780 -8.001 1.00 0.00 O ATOM 0 H GLU A 10 -4.019 -3.493 -7.203 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.115 -3.602 -10.018 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.356 -1.472 -10.350 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.414 -2.826 -10.007 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.034 -2.016 -7.937 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.511 -1.192 -7.673 1.00 0.00 H new ATOM 61 N PHE A 11 -1.670 -1.463 -9.713 1.00 0.00 N ATOM 62 CA PHE A 11 -0.559 -0.554 -9.450 1.00 0.00 C ATOM 63 C PHE A 11 -1.032 0.896 -9.496 1.00 0.00 C ATOM 64 O PHE A 11 -1.939 1.238 -10.254 1.00 0.00 O ATOM 65 CB PHE A 11 0.556 -0.770 -10.476 1.00 0.00 C ATOM 66 CG PHE A 11 1.080 -2.179 -10.510 1.00 0.00 C ATOM 67 CD1 PHE A 11 0.268 -3.226 -10.918 1.00 0.00 C ATOM 68 CD2 PHE A 11 2.385 -2.454 -10.136 1.00 0.00 C ATOM 69 CE1 PHE A 11 0.750 -4.522 -10.950 1.00 0.00 C ATOM 70 CE2 PHE A 11 2.872 -3.747 -10.166 1.00 0.00 C ATOM 71 CZ PHE A 11 2.053 -4.783 -10.575 1.00 0.00 C ATOM 0 H PHE A 11 -1.908 -1.559 -10.700 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.171 -0.765 -8.453 1.00 0.00 H new ATOM 0 HB2 PHE A 11 0.183 -0.506 -11.466 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.379 -0.091 -10.254 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.752 -3.028 -11.214 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.030 -1.648 -9.817 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.107 -5.330 -11.268 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.891 -3.948 -9.870 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.432 -5.794 -10.601 1.00 0.00 H new ATOM 81 N LEU A 12 -0.418 1.746 -8.676 1.00 0.00 N ATOM 82 CA LEU A 12 -0.789 3.158 -8.629 1.00 0.00 C ATOM 83 C LEU A 12 0.441 4.050 -8.510 1.00 0.00 C ATOM 84 O LEU A 12 1.215 3.938 -7.559 1.00 0.00 O ATOM 85 CB LEU A 12 -1.746 3.439 -7.459 1.00 0.00 C ATOM 86 CG LEU A 12 -2.385 2.206 -6.806 1.00 0.00 C ATOM 87 CD1 LEU A 12 -1.829 1.992 -5.407 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.900 2.348 -6.761 1.00 0.00 C ATOM 0 H LEU A 12 0.334 1.484 -8.039 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.298 3.388 -9.565 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.201 3.990 -6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.543 4.092 -7.815 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.139 1.333 -7.411 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.295 1.113 -4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.751 1.842 -5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.043 2.867 -4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.335 1.464 -6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.166 3.232 -6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.286 2.450 -7.775 1.00 0.00 H new ATOM 100 N THR A 13 0.606 4.944 -9.478 1.00 0.00 N ATOM 101 CA THR A 13 1.731 5.871 -9.487 1.00 0.00 C ATOM 102 C THR A 13 1.327 7.198 -8.851 1.00 0.00 C ATOM 103 O THR A 13 0.198 7.656 -9.021 1.00 0.00 O ATOM 104 CB THR A 13 2.213 6.103 -10.917 1.00 0.00 C ATOM 105 OG1 THR A 13 2.290 4.881 -11.632 1.00 0.00 O ATOM 106 CG2 THR A 13 3.570 6.763 -10.985 1.00 0.00 C ATOM 0 H THR A 13 -0.028 5.046 -10.270 1.00 0.00 H new ATOM 0 HA THR A 13 2.545 5.436 -8.907 1.00 0.00 H new ATOM 0 HB THR A 13 1.476 6.770 -11.365 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.599 5.055 -12.545 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.856 6.900 -12.028 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.528 7.733 -10.490 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.307 6.133 -10.487 1.00 0.00 H new ATOM 114 N PHE A 14 2.247 7.806 -8.111 1.00 0.00 N ATOM 115 CA PHE A 14 1.967 9.073 -7.446 1.00 0.00 C ATOM 116 C PHE A 14 3.175 10.000 -7.475 1.00 0.00 C ATOM 117 O PHE A 14 4.266 9.605 -7.881 1.00 0.00 O ATOM 118 CB PHE A 14 1.537 8.825 -5.999 1.00 0.00 C ATOM 119 CG PHE A 14 0.141 8.287 -5.874 1.00 0.00 C ATOM 120 CD1 PHE A 14 -0.926 8.948 -6.462 1.00 0.00 C ATOM 121 CD2 PHE A 14 -0.104 7.121 -5.168 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.212 8.456 -6.348 1.00 0.00 C ATOM 123 CE2 PHE A 14 -1.388 6.623 -5.050 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.443 7.291 -5.642 1.00 0.00 C ATOM 0 H PHE A 14 3.188 7.445 -7.957 1.00 0.00 H new ATOM 0 HA PHE A 14 1.156 9.559 -7.988 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.231 8.123 -5.537 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.610 9.759 -5.441 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.750 9.858 -7.016 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.717 6.595 -4.704 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.035 8.981 -6.810 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.566 5.713 -4.496 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.447 6.903 -5.553 1.00 0.00 H new ATOM 134 N GLU A 15 2.964 11.234 -7.027 1.00 0.00 N ATOM 135 CA GLU A 15 4.021 12.238 -6.973 1.00 0.00 C ATOM 136 C GLU A 15 4.013 12.915 -5.605 1.00 0.00 C ATOM 137 O GLU A 15 3.103 13.681 -5.293 1.00 0.00 O ATOM 138 CB GLU A 15 3.830 13.281 -8.081 1.00 0.00 C ATOM 139 CG GLU A 15 3.050 12.770 -9.282 1.00 0.00 C ATOM 140 CD GLU A 15 1.561 13.028 -9.163 1.00 0.00 C ATOM 141 OE1 GLU A 15 0.964 12.604 -8.151 1.00 0.00 O ATOM 142 OE2 GLU A 15 0.991 13.655 -10.081 1.00 0.00 O ATOM 0 H GLU A 15 2.059 11.565 -6.692 1.00 0.00 H new ATOM 0 HA GLU A 15 4.982 11.748 -7.127 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.313 14.146 -7.666 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.809 13.624 -8.416 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.427 13.249 -10.186 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.222 11.699 -9.393 1.00 0.00 H new ATOM 149 N VAL A 16 5.010 12.604 -4.781 1.00 0.00 N ATOM 150 CA VAL A 16 5.084 13.162 -3.435 1.00 0.00 C ATOM 151 C VAL A 16 6.133 14.267 -3.312 1.00 0.00 C ATOM 152 O VAL A 16 7.332 14.007 -3.420 1.00 0.00 O ATOM 153 CB VAL A 16 5.410 12.062 -2.406 1.00 0.00 C ATOM 154 CG1 VAL A 16 5.342 12.612 -0.990 1.00 0.00 C ATOM 155 CG2 VAL A 16 4.471 10.878 -2.571 1.00 0.00 C ATOM 0 H VAL A 16 5.774 11.972 -5.020 1.00 0.00 H new ATOM 0 HA VAL A 16 4.104 13.594 -3.233 1.00 0.00 H new ATOM 0 HB VAL A 16 6.428 11.717 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.576 11.819 -0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.063 13.422 -0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.339 12.990 -0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.718 10.113 -1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.442 11.206 -2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.579 10.465 -3.574 1.00 0.00 H new ATOM 165 N PRO A 17 5.699 15.516 -3.052 1.00 0.00 N ATOM 166 CA PRO A 17 6.607 16.645 -2.881 1.00 0.00 C ATOM 167 C PRO A 17 7.120 16.720 -1.447 1.00 0.00 C ATOM 168 O PRO A 17 6.334 16.688 -0.501 1.00 0.00 O ATOM 169 CB PRO A 17 5.715 17.840 -3.198 1.00 0.00 C ATOM 170 CG PRO A 17 4.358 17.426 -2.739 1.00 0.00 C ATOM 171 CD PRO A 17 4.290 15.922 -2.879 1.00 0.00 C ATOM 0 HA PRO A 17 7.496 16.585 -3.509 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.053 18.737 -2.678 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.721 18.068 -4.264 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.192 17.726 -1.704 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.584 17.906 -3.338 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.846 15.459 -1.998 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.682 15.628 -3.734 1.00 0.00 H new ATOM 179 N LEU A 18 8.436 16.797 -1.282 1.00 0.00 N ATOM 180 CA LEU A 18 9.028 16.848 0.052 1.00 0.00 C ATOM 181 C LEU A 18 9.877 18.092 0.251 1.00 0.00 C ATOM 182 O LEU A 18 10.825 18.085 1.036 1.00 0.00 O ATOM 183 CB LEU A 18 9.885 15.614 0.276 1.00 0.00 C ATOM 184 CG LEU A 18 10.882 15.362 -0.842 1.00 0.00 C ATOM 185 CD1 LEU A 18 12.245 14.999 -0.277 1.00 0.00 C ATOM 186 CD2 LEU A 18 10.373 14.274 -1.774 1.00 0.00 C ATOM 0 H LEU A 18 9.109 16.825 -2.048 1.00 0.00 H new ATOM 0 HA LEU A 18 8.212 16.880 0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.425 15.721 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.237 14.744 0.378 1.00 0.00 H new ATOM 0 HG LEU A 18 10.992 16.281 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.943 14.823 -1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.612 15.817 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.160 14.096 0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.100 14.107 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.231 13.351 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.423 14.583 -2.210 1.00 0.00 H new ATOM 198 N ASN A 19 9.526 19.159 -0.450 1.00 0.00 N ATOM 199 CA ASN A 19 10.245 20.432 -0.341 1.00 0.00 C ATOM 200 C ASN A 19 10.644 20.718 1.107 1.00 0.00 C ATOM 201 O ASN A 19 11.669 21.347 1.372 1.00 0.00 O ATOM 202 CB ASN A 19 9.384 21.582 -0.872 1.00 0.00 C ATOM 203 CG ASN A 19 7.894 21.301 -0.764 1.00 0.00 C ATOM 204 OD1 ASN A 19 7.394 21.207 0.464 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 7.201 21.171 -1.773 1.00 0.00 N flip ATOM 0 H ASN A 19 8.744 19.175 -1.105 1.00 0.00 H new ATOM 0 HA ASN A 19 11.150 20.352 -0.943 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.619 22.491 -0.318 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.639 21.769 -1.915 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.626 21.251 -2.697 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.202 20.984 -1.685 1.00 0.00 H new ATOM 212 N ASP A 20 9.823 20.241 2.038 1.00 0.00 N ATOM 213 CA ASP A 20 10.074 20.424 3.461 1.00 0.00 C ATOM 214 C ASP A 20 10.379 19.088 4.117 1.00 0.00 C ATOM 215 O ASP A 20 11.164 19.009 5.062 1.00 0.00 O ATOM 216 CB ASP A 20 8.863 21.061 4.142 1.00 0.00 C ATOM 217 CG ASP A 20 8.489 22.398 3.532 1.00 0.00 C ATOM 218 OD1 ASP A 20 9.208 23.387 3.788 1.00 0.00 O ATOM 219 OD2 ASP A 20 7.480 22.455 2.800 1.00 0.00 O ATOM 0 H ASP A 20 8.971 19.721 1.828 1.00 0.00 H new ATOM 0 HA ASP A 20 10.933 21.085 3.573 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.013 20.383 4.072 1.00 0.00 H new ATOM 0 HB3 ASP A 20 9.076 21.196 5.202 1.00 0.00 H new ATOM 224 N SER A 21 9.750 18.038 3.601 1.00 0.00 N ATOM 225 CA SER A 21 9.946 16.697 4.124 1.00 0.00 C ATOM 226 C SER A 21 11.333 16.164 3.770 1.00 0.00 C ATOM 227 O SER A 21 11.725 15.092 4.233 1.00 0.00 O ATOM 228 CB SER A 21 8.865 15.762 3.582 1.00 0.00 C ATOM 229 OG SER A 21 9.055 14.437 4.046 1.00 0.00 O ATOM 0 H SER A 21 9.098 18.093 2.818 1.00 0.00 H new ATOM 0 HA SER A 21 9.870 16.740 5.211 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.883 16.121 3.889 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.882 15.775 2.492 1.00 0.00 H new ATOM 0 HG SER A 21 9.997 14.305 4.281 1.00 0.00 H new ATOM 235 N GLY A 22 12.075 16.914 2.950 1.00 0.00 N ATOM 236 CA GLY A 22 13.412 16.490 2.561 1.00 0.00 C ATOM 237 C GLY A 22 14.222 15.963 3.730 1.00 0.00 C ATOM 238 O GLY A 22 15.079 15.096 3.561 1.00 0.00 O ATOM 0 H GLY A 22 11.774 17.803 2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.335 15.715 1.798 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.938 17.331 2.109 1.00 0.00 H new ATOM 242 N SER A 23 13.940 16.482 4.922 1.00 0.00 N ATOM 243 CA SER A 23 14.638 16.052 6.126 1.00 0.00 C ATOM 244 C SER A 23 14.009 14.779 6.684 1.00 0.00 C ATOM 245 O SER A 23 14.705 13.890 7.171 1.00 0.00 O ATOM 246 CB SER A 23 14.611 17.161 7.182 1.00 0.00 C ATOM 247 OG SER A 23 15.917 17.626 7.469 1.00 0.00 O ATOM 0 H SER A 23 13.233 17.200 5.078 1.00 0.00 H new ATOM 0 HA SER A 23 15.675 15.841 5.865 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.997 17.989 6.828 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.147 16.787 8.094 1.00 0.00 H new ATOM 0 HG SER A 23 15.871 18.334 8.145 1.00 0.00 H new ATOM 253 N ALA A 24 12.684 14.701 6.603 1.00 0.00 N ATOM 254 CA ALA A 24 11.952 13.538 7.090 1.00 0.00 C ATOM 255 C ALA A 24 11.907 12.427 6.041 1.00 0.00 C ATOM 256 O ALA A 24 11.334 11.364 6.279 1.00 0.00 O ATOM 257 CB ALA A 24 10.538 13.938 7.492 1.00 0.00 C ATOM 0 H ALA A 24 12.095 15.432 6.204 1.00 0.00 H new ATOM 0 HA ALA A 24 12.478 13.153 7.964 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.001 13.061 7.854 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.583 14.688 8.282 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.017 14.351 6.628 1.00 0.00 H new ATOM 263 N GLY A 25 12.500 12.681 4.874 1.00 0.00 N ATOM 264 CA GLY A 25 12.498 11.691 3.812 1.00 0.00 C ATOM 265 C GLY A 25 11.258 11.794 2.946 1.00 0.00 C ATOM 266 O GLY A 25 11.348 11.828 1.719 1.00 0.00 O ATOM 0 H GLY A 25 12.980 13.552 4.648 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.385 11.821 3.193 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.556 10.693 4.246 1.00 0.00 H new ATOM 270 N LEU A 26 10.101 11.852 3.594 1.00 0.00 N ATOM 271 CA LEU A 26 8.827 11.962 2.894 1.00 0.00 C ATOM 272 C LEU A 26 7.672 12.003 3.888 1.00 0.00 C ATOM 273 O LEU A 26 6.652 12.640 3.636 1.00 0.00 O ATOM 274 CB LEU A 26 8.643 10.804 1.912 1.00 0.00 C ATOM 275 CG LEU A 26 7.979 11.184 0.585 1.00 0.00 C ATOM 276 CD1 LEU A 26 8.661 12.399 -0.031 1.00 0.00 C ATOM 277 CD2 LEU A 26 8.005 10.010 -0.381 1.00 0.00 C ATOM 0 H LEU A 26 10.019 11.824 4.610 1.00 0.00 H new ATOM 0 HA LEU A 26 8.832 12.893 2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.619 10.367 1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.044 10.030 2.393 1.00 0.00 H new ATOM 0 HG LEU A 26 6.939 11.442 0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.173 12.651 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.587 13.244 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.711 12.172 -0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.529 10.299 -1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.038 9.720 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.467 9.168 0.055 1.00 0.00 H new ATOM 289 N GLY A 27 7.840 11.330 5.024 1.00 0.00 N ATOM 290 CA GLY A 27 6.801 11.327 6.037 1.00 0.00 C ATOM 291 C GLY A 27 6.044 10.017 6.115 1.00 0.00 C ATOM 292 O GLY A 27 4.814 10.014 6.142 1.00 0.00 O ATOM 0 H GLY A 27 8.673 10.790 5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.249 11.538 7.008 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.098 12.133 5.829 1.00 0.00 H new ATOM 296 N VAL A 28 6.768 8.902 6.160 1.00 0.00 N ATOM 297 CA VAL A 28 6.128 7.593 6.244 1.00 0.00 C ATOM 298 C VAL A 28 7.060 6.540 6.833 1.00 0.00 C ATOM 299 O VAL A 28 8.275 6.724 6.887 1.00 0.00 O ATOM 300 CB VAL A 28 5.654 7.103 4.860 1.00 0.00 C ATOM 301 CG1 VAL A 28 4.719 8.114 4.224 1.00 0.00 C ATOM 302 CG2 VAL A 28 6.840 6.826 3.947 1.00 0.00 C ATOM 0 H VAL A 28 7.788 8.878 6.140 1.00 0.00 H new ATOM 0 HA VAL A 28 5.268 7.722 6.902 1.00 0.00 H new ATOM 0 HB VAL A 28 5.108 6.171 5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.397 7.749 3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.848 8.257 4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.239 9.064 4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.480 6.482 2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.419 7.740 3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.471 6.058 4.393 1.00 0.00 H new ATOM 312 N SER A 29 6.471 5.424 7.250 1.00 0.00 N ATOM 313 CA SER A 29 7.226 4.314 7.811 1.00 0.00 C ATOM 314 C SER A 29 6.909 3.045 7.029 1.00 0.00 C ATOM 315 O SER A 29 5.762 2.607 6.989 1.00 0.00 O ATOM 316 CB SER A 29 6.884 4.126 9.291 1.00 0.00 C ATOM 317 OG SER A 29 7.185 5.295 10.036 1.00 0.00 O ATOM 0 H SER A 29 5.464 5.266 7.208 1.00 0.00 H new ATOM 0 HA SER A 29 8.292 4.530 7.735 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.826 3.887 9.396 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.443 3.281 9.692 1.00 0.00 H new ATOM 0 HG SER A 29 6.956 5.151 10.978 1.00 0.00 H new ATOM 323 N VAL A 30 7.922 2.476 6.385 1.00 0.00 N ATOM 324 CA VAL A 30 7.728 1.275 5.581 1.00 0.00 C ATOM 325 C VAL A 30 8.407 0.056 6.195 1.00 0.00 C ATOM 326 O VAL A 30 9.475 0.160 6.798 1.00 0.00 O ATOM 327 CB VAL A 30 8.264 1.472 4.150 1.00 0.00 C ATOM 328 CG1 VAL A 30 7.310 2.336 3.335 1.00 0.00 C ATOM 329 CG2 VAL A 30 9.657 2.083 4.181 1.00 0.00 C ATOM 0 H VAL A 30 8.880 2.824 6.403 1.00 0.00 H new ATOM 0 HA VAL A 30 6.653 1.099 5.552 1.00 0.00 H new ATOM 0 HB VAL A 30 8.332 0.496 3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.706 2.464 2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.335 1.852 3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.206 3.311 3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.019 2.215 3.161 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.619 3.051 4.680 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.332 1.421 4.723 1.00 0.00 H new ATOM 339 N LYS A 31 7.778 -1.103 6.022 1.00 0.00 N ATOM 340 CA LYS A 31 8.314 -2.356 6.540 1.00 0.00 C ATOM 341 C LYS A 31 8.021 -3.499 5.573 1.00 0.00 C ATOM 342 O LYS A 31 6.887 -3.668 5.125 1.00 0.00 O ATOM 343 CB LYS A 31 7.723 -2.667 7.918 1.00 0.00 C ATOM 344 CG LYS A 31 6.214 -2.864 7.909 1.00 0.00 C ATOM 345 CD LYS A 31 5.818 -4.193 8.533 1.00 0.00 C ATOM 346 CE LYS A 31 5.544 -5.250 7.475 1.00 0.00 C ATOM 347 NZ LYS A 31 6.579 -6.320 7.479 1.00 0.00 N ATOM 0 H LYS A 31 6.893 -1.199 5.525 1.00 0.00 H new ATOM 0 HA LYS A 31 9.394 -2.250 6.642 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.195 -3.567 8.311 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.970 -1.854 8.601 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.737 -2.049 8.454 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.847 -2.819 6.884 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.614 -4.537 9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.929 -4.056 9.149 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.563 -5.693 7.649 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.511 -4.780 6.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.708 -6.682 6.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.479 -5.931 7.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.274 -7.096 8.101 1.00 0.00 H new ATOM 361 N GLY A 32 9.048 -4.274 5.243 1.00 0.00 N ATOM 362 CA GLY A 32 8.869 -5.377 4.318 1.00 0.00 C ATOM 363 C GLY A 32 8.828 -6.728 5.003 1.00 0.00 C ATOM 364 O GLY A 32 9.339 -6.888 6.111 1.00 0.00 O ATOM 0 H GLY A 32 9.997 -4.159 5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.943 -5.230 3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.682 -5.369 3.592 1.00 0.00 H new ATOM 368 N ASN A 33 8.214 -7.701 4.337 1.00 0.00 N ATOM 369 CA ASN A 33 8.099 -9.051 4.877 1.00 0.00 C ATOM 370 C ASN A 33 9.059 -10.007 4.178 1.00 0.00 C ATOM 371 O ASN A 33 9.781 -9.619 3.261 1.00 0.00 O ATOM 372 CB ASN A 33 6.663 -9.566 4.740 1.00 0.00 C ATOM 373 CG ASN A 33 6.063 -9.260 3.381 1.00 0.00 C ATOM 374 OD1 ASN A 33 6.612 -8.476 2.609 1.00 0.00 O ATOM 375 ND2 ASN A 33 4.928 -9.882 3.084 1.00 0.00 N ATOM 0 H ASN A 33 7.787 -7.579 3.419 1.00 0.00 H new ATOM 0 HA ASN A 33 8.363 -9.008 5.934 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.650 -10.643 4.905 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.044 -9.117 5.516 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.476 -9.717 2.184 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.508 -10.525 3.755 1.00 0.00 H new ATOM 382 N ARG A 34 9.060 -11.259 4.622 1.00 0.00 N ATOM 383 CA ARG A 34 9.930 -12.277 4.046 1.00 0.00 C ATOM 384 C ARG A 34 9.170 -13.583 3.838 1.00 0.00 C ATOM 385 O ARG A 34 8.554 -14.107 4.764 1.00 0.00 O ATOM 386 CB ARG A 34 11.139 -12.514 4.953 1.00 0.00 C ATOM 387 CG ARG A 34 12.348 -13.072 4.224 1.00 0.00 C ATOM 388 CD ARG A 34 13.579 -13.086 5.115 1.00 0.00 C ATOM 389 NE ARG A 34 14.814 -13.202 4.342 1.00 0.00 N ATOM 390 CZ ARG A 34 15.978 -13.584 4.859 1.00 0.00 C ATOM 391 NH1 ARG A 34 16.074 -13.887 6.148 1.00 0.00 N ATOM 392 NH2 ARG A 34 17.053 -13.664 4.085 1.00 0.00 N ATOM 0 H ARG A 34 8.466 -11.594 5.381 1.00 0.00 H new ATOM 0 HA ARG A 34 10.277 -11.921 3.076 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.415 -11.573 5.429 1.00 0.00 H new ATOM 0 HB3 ARG A 34 10.856 -13.203 5.749 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.133 -14.085 3.883 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.547 -12.472 3.336 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.607 -12.172 5.708 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.510 -13.919 5.815 1.00 0.00 H new ATOM 0 HE ARG A 34 14.781 -12.977 3.348 1.00 0.00 H new ATOM 0 HH11 ARG A 34 15.252 -13.828 6.748 1.00 0.00 H new ATOM 0 HH12 ARG A 34 16.970 -14.179 6.538 1.00 0.00 H new ATOM 0 HH21 ARG A 34 16.986 -13.432 3.094 1.00 0.00 H new ATOM 0 HH22 ARG A 34 17.946 -13.957 4.481 1.00 0.00 H new ATOM 406 N SER A 35 9.214 -14.101 2.613 1.00 0.00 N ATOM 407 CA SER A 35 8.524 -15.345 2.281 1.00 0.00 C ATOM 408 C SER A 35 8.861 -16.446 3.283 1.00 0.00 C ATOM 409 O SER A 35 10.025 -16.805 3.459 1.00 0.00 O ATOM 410 CB SER A 35 8.894 -15.803 0.866 1.00 0.00 C ATOM 411 OG SER A 35 7.772 -15.741 0.002 1.00 0.00 O ATOM 0 H SER A 35 9.720 -13.679 1.834 1.00 0.00 H new ATOM 0 HA SER A 35 7.452 -15.152 2.326 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.694 -15.175 0.474 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.276 -16.823 0.899 1.00 0.00 H new ATOM 0 HG SER A 35 8.053 -15.405 -0.875 1.00 0.00 H new ATOM 417 N LYS A 36 7.834 -16.979 3.934 1.00 0.00 N ATOM 418 CA LYS A 36 8.017 -18.042 4.918 1.00 0.00 C ATOM 419 C LYS A 36 8.492 -19.339 4.262 1.00 0.00 C ATOM 420 O LYS A 36 8.883 -20.282 4.951 1.00 0.00 O ATOM 421 CB LYS A 36 6.711 -18.290 5.676 1.00 0.00 C ATOM 422 CG LYS A 36 5.592 -18.833 4.802 1.00 0.00 C ATOM 423 CD LYS A 36 4.666 -17.727 4.327 1.00 0.00 C ATOM 424 CE LYS A 36 3.271 -18.254 4.033 1.00 0.00 C ATOM 425 NZ LYS A 36 2.246 -17.175 4.086 1.00 0.00 N ATOM 0 H LYS A 36 6.864 -16.693 3.799 1.00 0.00 H new ATOM 0 HA LYS A 36 8.787 -17.717 5.618 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.900 -18.993 6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.383 -17.356 6.133 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.019 -19.346 3.940 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.019 -19.573 5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.609 -16.948 5.087 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.078 -17.267 3.429 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.259 -18.718 3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.017 -19.031 4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.317 -17.566 3.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.204 -16.783 5.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.501 -16.421 3.416 1.00 0.00 H new ATOM 439 N GLU A 37 8.451 -19.389 2.932 1.00 0.00 N ATOM 440 CA GLU A 37 8.871 -20.578 2.200 1.00 0.00 C ATOM 441 C GLU A 37 10.392 -20.672 2.120 1.00 0.00 C ATOM 442 O GLU A 37 10.994 -21.602 2.657 1.00 0.00 O ATOM 443 CB GLU A 37 8.276 -20.571 0.792 1.00 0.00 C ATOM 444 CG GLU A 37 6.942 -21.293 0.691 1.00 0.00 C ATOM 445 CD GLU A 37 7.085 -22.714 0.178 1.00 0.00 C ATOM 446 OE1 GLU A 37 7.794 -23.511 0.827 1.00 0.00 O ATOM 447 OE2 GLU A 37 6.488 -23.028 -0.873 1.00 0.00 O ATOM 0 H GLU A 37 8.132 -18.621 2.342 1.00 0.00 H new ATOM 0 HA GLU A 37 8.504 -21.450 2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.146 -19.539 0.467 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.984 -21.035 0.105 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.468 -21.311 1.672 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.281 -20.736 0.027 1.00 0.00 H new ATOM 454 N ASN A 38 11.006 -19.710 1.439 1.00 0.00 N ATOM 455 CA ASN A 38 12.456 -19.698 1.280 1.00 0.00 C ATOM 456 C ASN A 38 13.063 -18.389 1.780 1.00 0.00 C ATOM 457 O ASN A 38 14.134 -17.982 1.330 1.00 0.00 O ATOM 458 CB ASN A 38 12.824 -19.915 -0.187 1.00 0.00 C ATOM 459 CG ASN A 38 12.343 -18.788 -1.080 1.00 0.00 C ATOM 460 OD1 ASN A 38 13.018 -17.769 -1.231 1.00 0.00 O ATOM 461 ND2 ASN A 38 11.170 -18.964 -1.677 1.00 0.00 N ATOM 0 H ASN A 38 10.524 -18.931 0.990 1.00 0.00 H new ATOM 0 HA ASN A 38 12.865 -20.510 1.882 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.906 -20.008 -0.277 1.00 0.00 H new ATOM 0 HB3 ASN A 38 12.393 -20.855 -0.531 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.795 -18.239 -2.289 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.644 -19.824 -1.524 1.00 0.00 H new ATOM 468 N HIS A 39 12.378 -17.733 2.711 1.00 0.00 N ATOM 469 CA HIS A 39 12.859 -16.472 3.268 1.00 0.00 C ATOM 470 C HIS A 39 13.189 -15.471 2.162 1.00 0.00 C ATOM 471 O HIS A 39 14.296 -14.935 2.104 1.00 0.00 O ATOM 472 CB HIS A 39 14.093 -16.716 4.140 1.00 0.00 C ATOM 473 CG HIS A 39 13.855 -17.681 5.259 1.00 0.00 C ATOM 474 ND1 HIS A 39 13.559 -17.284 6.545 1.00 0.00 N ATOM 475 CD2 HIS A 39 13.871 -19.035 5.279 1.00 0.00 C ATOM 476 CE1 HIS A 39 13.404 -18.351 7.310 1.00 0.00 C ATOM 477 NE2 HIS A 39 13.587 -19.426 6.564 1.00 0.00 N ATOM 0 H HIS A 39 11.489 -18.052 3.096 1.00 0.00 H new ATOM 0 HA HIS A 39 12.064 -16.050 3.883 1.00 0.00 H new ATOM 0 HB2 HIS A 39 14.902 -17.092 3.513 1.00 0.00 H new ATOM 0 HB3 HIS A 39 14.427 -15.766 4.556 1.00 0.00 H new ATOM 0 HD2 HIS A 39 14.070 -19.686 4.440 1.00 0.00 H new ATOM 0 HE1 HIS A 39 13.168 -18.345 8.364 1.00 0.00 H new ATOM 0 HE2 HIS A 39 13.527 -20.391 6.890 1.00 0.00 H new ATOM 486 N ALA A 40 12.220 -15.223 1.287 1.00 0.00 N ATOM 487 CA ALA A 40 12.408 -14.286 0.186 1.00 0.00 C ATOM 488 C ALA A 40 11.574 -13.025 0.393 1.00 0.00 C ATOM 489 O ALA A 40 10.351 -13.088 0.502 1.00 0.00 O ATOM 490 CB ALA A 40 12.047 -14.947 -1.136 1.00 0.00 C ATOM 0 H ALA A 40 11.298 -15.657 1.319 1.00 0.00 H new ATOM 0 HA ALA A 40 13.459 -13.997 0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.192 -14.236 -1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.686 -15.816 -1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.004 -15.263 -1.112 1.00 0.00 H new ATOM 496 N ASP A 41 12.245 -11.880 0.448 1.00 0.00 N ATOM 497 CA ASP A 41 11.566 -10.602 0.644 1.00 0.00 C ATOM 498 C ASP A 41 10.371 -10.458 -0.298 1.00 0.00 C ATOM 499 O ASP A 41 10.530 -10.461 -1.519 1.00 0.00 O ATOM 500 CB ASP A 41 12.542 -9.447 0.418 1.00 0.00 C ATOM 501 CG ASP A 41 13.188 -9.500 -0.953 1.00 0.00 C ATOM 502 OD1 ASP A 41 12.613 -8.929 -1.901 1.00 0.00 O ATOM 503 OD2 ASP A 41 14.270 -10.112 -1.074 1.00 0.00 O ATOM 0 H ASP A 41 13.259 -11.809 0.360 1.00 0.00 H new ATOM 0 HA ASP A 41 11.199 -10.573 1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.014 -8.500 0.532 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.317 -9.474 1.184 1.00 0.00 H new ATOM 508 N LEU A 42 9.178 -10.328 0.275 1.00 0.00 N ATOM 509 CA LEU A 42 7.965 -10.177 -0.520 1.00 0.00 C ATOM 510 C LEU A 42 7.797 -8.729 -0.975 1.00 0.00 C ATOM 511 O LEU A 42 7.203 -8.461 -2.020 1.00 0.00 O ATOM 512 CB LEU A 42 6.736 -10.617 0.283 1.00 0.00 C ATOM 513 CG LEU A 42 6.884 -11.943 1.035 1.00 0.00 C ATOM 514 CD1 LEU A 42 5.583 -12.303 1.740 1.00 0.00 C ATOM 515 CD2 LEU A 42 7.300 -13.052 0.078 1.00 0.00 C ATOM 0 H LEU A 42 9.026 -10.324 1.284 1.00 0.00 H new ATOM 0 HA LEU A 42 8.056 -10.813 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.494 -9.835 1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.888 -10.697 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 42 7.663 -11.829 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.705 -13.248 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.326 -11.519 2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.785 -12.400 1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.401 -13.988 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.543 -13.166 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.255 -12.797 -0.382 1.00 0.00 H new ATOM 527 N GLY A 43 8.329 -7.799 -0.186 1.00 0.00 N ATOM 528 CA GLY A 43 8.231 -6.391 -0.522 1.00 0.00 C ATOM 529 C GLY A 43 7.926 -5.526 0.686 1.00 0.00 C ATOM 530 O GLY A 43 7.681 -6.040 1.778 1.00 0.00 O ATOM 0 H GLY A 43 8.827 -7.997 0.682 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.167 -6.062 -0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.451 -6.253 -1.270 1.00 0.00 H new ATOM 534 N ILE A 44 7.942 -4.209 0.490 1.00 0.00 N ATOM 535 CA ILE A 44 7.665 -3.268 1.572 1.00 0.00 C ATOM 536 C ILE A 44 6.244 -2.721 1.483 1.00 0.00 C ATOM 537 O ILE A 44 5.656 -2.663 0.403 1.00 0.00 O ATOM 538 CB ILE A 44 8.660 -2.085 1.573 1.00 0.00 C ATOM 539 CG1 ILE A 44 8.917 -1.597 0.143 1.00 0.00 C ATOM 540 CG2 ILE A 44 9.963 -2.482 2.258 1.00 0.00 C ATOM 541 CD1 ILE A 44 10.181 -2.156 -0.477 1.00 0.00 C ATOM 0 H ILE A 44 8.144 -3.770 -0.408 1.00 0.00 H new ATOM 0 HA ILE A 44 7.779 -3.826 2.501 1.00 0.00 H new ATOM 0 HB ILE A 44 8.220 -1.262 2.136 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.066 -1.869 -0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.976 -0.509 0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.651 -1.637 2.249 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.758 -2.773 3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.412 -3.321 1.727 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.294 -1.765 -1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.042 -1.862 0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.118 -3.244 -0.513 1.00 0.00 H new ATOM 553 N PHE A 45 5.698 -2.323 2.629 1.00 0.00 N ATOM 554 CA PHE A 45 4.343 -1.779 2.689 1.00 0.00 C ATOM 555 C PHE A 45 4.277 -0.607 3.659 1.00 0.00 C ATOM 556 O PHE A 45 4.912 -0.625 4.714 1.00 0.00 O ATOM 557 CB PHE A 45 3.346 -2.861 3.118 1.00 0.00 C ATOM 558 CG PHE A 45 3.747 -4.251 2.716 1.00 0.00 C ATOM 559 CD1 PHE A 45 4.601 -4.995 3.513 1.00 0.00 C ATOM 560 CD2 PHE A 45 3.273 -4.813 1.541 1.00 0.00 C ATOM 561 CE1 PHE A 45 4.976 -6.273 3.149 1.00 0.00 C ATOM 562 CE2 PHE A 45 3.646 -6.091 1.170 1.00 0.00 C ATOM 563 CZ PHE A 45 4.497 -6.821 1.973 1.00 0.00 C ATOM 0 H PHE A 45 6.173 -2.367 3.530 1.00 0.00 H new ATOM 0 HA PHE A 45 4.077 -1.428 1.692 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.230 -2.826 4.201 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.371 -2.635 2.686 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.979 -4.570 4.431 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.605 -4.246 0.909 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.641 -6.843 3.781 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.271 -6.518 0.251 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.789 -7.820 1.684 1.00 0.00 H new ATOM 573 N VAL A 46 3.500 0.409 3.296 1.00 0.00 N ATOM 574 CA VAL A 46 3.346 1.586 4.141 1.00 0.00 C ATOM 575 C VAL A 46 2.824 1.193 5.517 1.00 0.00 C ATOM 576 O VAL A 46 1.646 0.878 5.679 1.00 0.00 O ATOM 577 CB VAL A 46 2.386 2.613 3.507 1.00 0.00 C ATOM 578 CG1 VAL A 46 2.318 3.880 4.347 1.00 0.00 C ATOM 579 CG2 VAL A 46 2.812 2.936 2.083 1.00 0.00 C ATOM 0 H VAL A 46 2.969 0.440 2.425 1.00 0.00 H new ATOM 0 HA VAL A 46 4.330 2.044 4.241 1.00 0.00 H new ATOM 0 HB VAL A 46 1.389 2.173 3.476 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.635 4.590 3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.959 3.635 5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.311 4.324 4.417 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.122 3.662 1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.819 3.352 2.090 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.800 2.025 1.484 1.00 0.00 H new ATOM 589 N LYS A 47 3.712 1.204 6.505 1.00 0.00 N ATOM 590 CA LYS A 47 3.346 0.843 7.869 1.00 0.00 C ATOM 591 C LYS A 47 2.559 1.965 8.531 1.00 0.00 C ATOM 592 O LYS A 47 1.578 1.722 9.234 1.00 0.00 O ATOM 593 CB LYS A 47 4.596 0.531 8.691 1.00 0.00 C ATOM 594 CG LYS A 47 4.299 0.139 10.127 1.00 0.00 C ATOM 595 CD LYS A 47 3.823 -1.302 10.222 1.00 0.00 C ATOM 596 CE LYS A 47 2.880 -1.501 11.397 1.00 0.00 C ATOM 597 NZ LYS A 47 2.500 -2.931 11.567 1.00 0.00 N ATOM 0 H LYS A 47 4.692 1.460 6.386 1.00 0.00 H new ATOM 0 HA LYS A 47 2.717 -0.046 7.827 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.145 -0.278 8.209 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.249 1.404 8.689 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.195 0.268 10.734 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.538 0.803 10.537 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.318 -1.581 9.297 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.683 -1.964 10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.355 -1.141 12.309 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.982 -0.902 11.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.856 -3.025 12.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.024 -3.268 10.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.354 -3.500 11.735 1.00 0.00 H new ATOM 611 N SER A 48 2.998 3.196 8.301 1.00 0.00 N ATOM 612 CA SER A 48 2.335 4.359 8.875 1.00 0.00 C ATOM 613 C SER A 48 2.840 5.643 8.232 1.00 0.00 C ATOM 614 O SER A 48 4.039 5.916 8.221 1.00 0.00 O ATOM 615 CB SER A 48 2.556 4.404 10.388 1.00 0.00 C ATOM 616 OG SER A 48 3.675 3.619 10.764 1.00 0.00 O ATOM 0 H SER A 48 3.809 3.414 7.722 1.00 0.00 H new ATOM 0 HA SER A 48 1.267 4.274 8.677 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.708 5.435 10.706 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.665 4.041 10.900 1.00 0.00 H new ATOM 0 HG SER A 48 3.796 3.666 11.735 1.00 0.00 H new ATOM 622 N ILE A 49 1.914 6.429 7.698 1.00 0.00 N ATOM 623 CA ILE A 49 2.259 7.684 7.050 1.00 0.00 C ATOM 624 C ILE A 49 2.212 8.845 8.036 1.00 0.00 C ATOM 625 O ILE A 49 1.170 9.137 8.621 1.00 0.00 O ATOM 626 CB ILE A 49 1.310 7.978 5.872 1.00 0.00 C ATOM 627 CG1 ILE A 49 1.375 6.838 4.859 1.00 0.00 C ATOM 628 CG2 ILE A 49 1.658 9.305 5.209 1.00 0.00 C ATOM 629 CD1 ILE A 49 0.371 6.973 3.739 1.00 0.00 C ATOM 0 H ILE A 49 0.916 6.217 7.702 1.00 0.00 H new ATOM 0 HA ILE A 49 3.276 7.581 6.672 1.00 0.00 H new ATOM 0 HB ILE A 49 0.293 8.055 6.256 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.378 6.796 4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.207 5.893 5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.973 9.489 4.381 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.570 10.110 5.938 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.680 9.267 4.833 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.472 6.130 3.056 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.637 6.985 4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.552 7.902 3.198 1.00 0.00 H new ATOM 641 N ILE A 50 3.350 9.508 8.207 1.00 0.00 N ATOM 642 CA ILE A 50 3.445 10.644 9.114 1.00 0.00 C ATOM 643 C ILE A 50 2.412 11.707 8.745 1.00 0.00 C ATOM 644 O ILE A 50 2.545 12.386 7.728 1.00 0.00 O ATOM 645 CB ILE A 50 4.866 11.259 9.092 1.00 0.00 C ATOM 646 CG1 ILE A 50 5.838 10.368 9.866 1.00 0.00 C ATOM 647 CG2 ILE A 50 4.871 12.671 9.675 1.00 0.00 C ATOM 648 CD1 ILE A 50 6.777 9.572 8.986 1.00 0.00 C ATOM 0 H ILE A 50 4.221 9.277 7.728 1.00 0.00 H new ATOM 0 HA ILE A 50 3.243 10.284 10.123 1.00 0.00 H new ATOM 0 HB ILE A 50 5.187 11.323 8.052 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.427 10.990 10.539 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.267 9.678 10.487 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.883 13.074 9.645 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.209 13.309 9.089 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.524 12.639 10.708 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.434 8.966 9.610 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.198 8.922 8.330 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.377 10.254 8.383 1.00 0.00 H new ATOM 660 N ASN A 51 1.382 11.837 9.578 1.00 0.00 N ATOM 661 CA ASN A 51 0.323 12.813 9.340 1.00 0.00 C ATOM 662 C ASN A 51 0.870 14.235 9.405 1.00 0.00 C ATOM 663 O ASN A 51 0.623 14.967 10.364 1.00 0.00 O ATOM 664 CB ASN A 51 -0.811 12.637 10.356 1.00 0.00 C ATOM 665 CG ASN A 51 -0.305 12.383 11.763 1.00 0.00 C ATOM 666 OD1 ASN A 51 -0.470 11.291 12.307 1.00 0.00 O ATOM 667 ND2 ASN A 51 0.317 13.393 12.361 1.00 0.00 N ATOM 0 H ASN A 51 1.259 11.279 10.423 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.074 12.641 8.339 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.435 13.530 10.355 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.444 11.805 10.047 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.680 13.280 13.308 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.432 14.282 11.873 1.00 0.00 H new ATOM 674 N GLY A 52 1.618 14.615 8.377 1.00 0.00 N ATOM 675 CA GLY A 52 2.197 15.943 8.326 1.00 0.00 C ATOM 676 C GLY A 52 3.329 16.035 7.324 1.00 0.00 C ATOM 677 O GLY A 52 3.604 17.108 6.785 1.00 0.00 O ATOM 0 H GLY A 52 1.835 14.024 7.574 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.423 16.665 8.065 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.566 16.215 9.315 1.00 0.00 H new ATOM 681 N GLY A 53 3.990 14.907 7.071 1.00 0.00 N ATOM 682 CA GLY A 53 5.089 14.891 6.128 1.00 0.00 C ATOM 683 C GLY A 53 4.638 15.082 4.693 1.00 0.00 C ATOM 684 O GLY A 53 3.477 15.404 4.433 1.00 0.00 O ATOM 0 H GLY A 53 3.782 14.007 7.503 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.797 15.678 6.389 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.621 13.943 6.213 1.00 0.00 H new ATOM 688 N ALA A 54 5.562 14.886 3.761 1.00 0.00 N ATOM 689 CA ALA A 54 5.282 15.039 2.339 1.00 0.00 C ATOM 690 C ALA A 54 4.260 14.021 1.843 1.00 0.00 C ATOM 691 O ALA A 54 3.381 14.348 1.045 1.00 0.00 O ATOM 692 CB ALA A 54 6.569 14.907 1.547 1.00 0.00 C ATOM 0 H ALA A 54 6.524 14.617 3.969 1.00 0.00 H new ATOM 0 HA ALA A 54 4.854 16.031 2.191 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.356 15.022 0.484 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.271 15.679 1.862 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.007 13.925 1.725 1.00 0.00 H new ATOM 698 N ALA A 55 4.392 12.784 2.304 1.00 0.00 N ATOM 699 CA ALA A 55 3.490 11.714 1.889 1.00 0.00 C ATOM 700 C ALA A 55 2.055 11.992 2.312 1.00 0.00 C ATOM 701 O ALA A 55 1.127 11.859 1.514 1.00 0.00 O ATOM 702 CB ALA A 55 3.954 10.389 2.462 1.00 0.00 C ATOM 0 H ALA A 55 5.114 12.496 2.965 1.00 0.00 H new ATOM 0 HA ALA A 55 3.512 11.665 0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.274 9.598 2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.959 10.169 2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.963 10.446 3.550 1.00 0.00 H new ATOM 708 N SER A 56 1.879 12.374 3.567 1.00 0.00 N ATOM 709 CA SER A 56 0.551 12.666 4.092 1.00 0.00 C ATOM 710 C SER A 56 -0.017 13.920 3.439 1.00 0.00 C ATOM 711 O SER A 56 -1.231 14.068 3.303 1.00 0.00 O ATOM 712 CB SER A 56 0.605 12.846 5.609 1.00 0.00 C ATOM 713 OG SER A 56 -0.698 12.886 6.166 1.00 0.00 O ATOM 0 H SER A 56 2.636 12.489 4.241 1.00 0.00 H new ATOM 0 HA SER A 56 -0.101 11.824 3.860 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.169 12.027 6.055 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.135 13.767 5.850 1.00 0.00 H new ATOM 0 HG SER A 56 -0.810 13.715 6.677 1.00 0.00 H new ATOM 719 N LYS A 57 0.873 14.819 3.040 1.00 0.00 N ATOM 720 CA LYS A 57 0.475 16.064 2.400 1.00 0.00 C ATOM 721 C LYS A 57 0.034 15.826 0.961 1.00 0.00 C ATOM 722 O LYS A 57 -0.845 16.515 0.446 1.00 0.00 O ATOM 723 CB LYS A 57 1.623 17.053 2.445 1.00 0.00 C ATOM 724 CG LYS A 57 1.761 17.700 3.803 1.00 0.00 C ATOM 725 CD LYS A 57 2.949 18.626 3.846 1.00 0.00 C ATOM 726 CE LYS A 57 2.559 20.031 3.425 1.00 0.00 C ATOM 727 NZ LYS A 57 3.620 21.025 3.744 1.00 0.00 N ATOM 0 H LYS A 57 1.881 14.707 3.150 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.375 16.476 2.944 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.552 16.542 2.191 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.467 17.824 1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.854 18.257 4.038 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.869 16.930 4.567 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.362 18.646 4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.732 18.249 3.188 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.359 20.046 2.354 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.634 20.316 3.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.312 21.971 3.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.794 21.031 4.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.496 20.769 3.246 1.00 0.00 H new ATOM 741 N ASP A 58 0.649 14.837 0.319 1.00 0.00 N ATOM 742 CA ASP A 58 0.318 14.500 -1.059 1.00 0.00 C ATOM 743 C ASP A 58 -1.141 14.075 -1.177 1.00 0.00 C ATOM 744 O ASP A 58 -1.765 14.242 -2.223 1.00 0.00 O ATOM 745 CB ASP A 58 1.230 13.379 -1.563 1.00 0.00 C ATOM 746 CG ASP A 58 1.540 13.511 -3.041 1.00 0.00 C ATOM 747 OD1 ASP A 58 1.708 14.656 -3.511 1.00 0.00 O ATOM 748 OD2 ASP A 58 1.613 12.469 -3.728 1.00 0.00 O ATOM 0 H ASP A 58 1.379 14.256 0.732 1.00 0.00 H new ATOM 0 HA ASP A 58 0.471 15.388 -1.673 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.161 13.389 -0.996 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.754 12.416 -1.378 1.00 0.00 H new ATOM 753 N GLY A 59 -1.679 13.530 -0.090 1.00 0.00 N ATOM 754 CA GLY A 59 -3.062 13.092 -0.086 1.00 0.00 C ATOM 755 C GLY A 59 -3.318 11.916 -1.012 1.00 0.00 C ATOM 756 O GLY A 59 -4.456 11.673 -1.411 1.00 0.00 O ATOM 0 H GLY A 59 -1.181 13.384 0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.346 12.816 0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.701 13.924 -0.381 1.00 0.00 H new ATOM 760 N ARG A 60 -2.262 11.182 -1.356 1.00 0.00 N ATOM 761 CA ARG A 60 -2.394 10.026 -2.235 1.00 0.00 C ATOM 762 C ARG A 60 -1.809 8.776 -1.585 1.00 0.00 C ATOM 763 O ARG A 60 -2.080 7.656 -2.017 1.00 0.00 O ATOM 764 CB ARG A 60 -1.698 10.294 -3.569 1.00 0.00 C ATOM 765 CG ARG A 60 -2.439 11.284 -4.452 1.00 0.00 C ATOM 766 CD ARG A 60 -1.488 12.019 -5.382 1.00 0.00 C ATOM 767 NE ARG A 60 -1.046 13.292 -4.819 1.00 0.00 N ATOM 768 CZ ARG A 60 -0.632 14.327 -5.551 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.592 14.238 -6.876 1.00 0.00 N ATOM 770 NH2 ARG A 60 -0.254 15.449 -4.957 1.00 0.00 N ATOM 0 H ARG A 60 -1.310 11.367 -1.040 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.456 9.856 -2.413 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.694 10.672 -3.376 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.586 9.353 -4.107 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.191 10.757 -5.040 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.969 12.004 -3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.620 11.391 -5.583 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.981 12.197 -6.338 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.054 13.396 -3.804 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.879 13.375 -7.338 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.275 15.033 -7.431 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.280 15.521 -3.940 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.063 16.241 -5.517 1.00 0.00 H new ATOM 784 N LEU A 61 -1.002 8.977 -0.548 1.00 0.00 N ATOM 785 CA LEU A 61 -0.372 7.872 0.158 1.00 0.00 C ATOM 786 C LEU A 61 -1.266 7.353 1.280 1.00 0.00 C ATOM 787 O LEU A 61 -1.840 8.131 2.042 1.00 0.00 O ATOM 788 CB LEU A 61 0.979 8.317 0.717 1.00 0.00 C ATOM 789 CG LEU A 61 2.182 7.640 0.074 1.00 0.00 C ATOM 790 CD1 LEU A 61 3.440 8.471 0.271 1.00 0.00 C ATOM 791 CD2 LEU A 61 2.370 6.239 0.633 1.00 0.00 C ATOM 0 H LEU A 61 -0.770 9.899 -0.179 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.217 7.057 -0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.074 9.395 0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.997 8.120 1.789 1.00 0.00 H new ATOM 0 HG LEU A 61 1.994 7.559 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.286 7.967 -0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.304 9.451 -0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.634 8.591 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.234 5.772 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.531 6.295 1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.480 5.644 0.430 1.00 0.00 H new ATOM 803 N ARG A 62 -1.370 6.032 1.376 1.00 0.00 N ATOM 804 CA ARG A 62 -2.185 5.399 2.406 1.00 0.00 C ATOM 805 C ARG A 62 -1.520 4.120 2.910 1.00 0.00 C ATOM 806 O ARG A 62 -0.986 3.336 2.127 1.00 0.00 O ATOM 807 CB ARG A 62 -3.579 5.084 1.868 1.00 0.00 C ATOM 808 CG ARG A 62 -3.560 4.306 0.568 1.00 0.00 C ATOM 809 CD ARG A 62 -4.071 5.146 -0.590 1.00 0.00 C ATOM 810 NE ARG A 62 -3.719 4.564 -1.881 1.00 0.00 N ATOM 811 CZ ARG A 62 -3.934 5.163 -3.048 1.00 0.00 C ATOM 812 NH1 ARG A 62 -4.505 6.360 -3.094 1.00 0.00 N ATOM 813 NH2 ARG A 62 -3.576 4.563 -4.173 1.00 0.00 N ATOM 0 H ARG A 62 -0.899 5.378 0.751 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.278 6.096 3.239 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.129 4.513 2.616 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.121 6.017 1.717 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.544 3.973 0.357 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.174 3.411 0.669 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.154 5.242 -0.518 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.656 6.152 -0.520 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.282 3.642 -1.888 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.782 6.826 -2.230 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.667 6.814 -3.993 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.136 3.643 -4.143 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.740 5.021 -5.070 1.00 0.00 H new ATOM 827 N VAL A 63 -1.557 3.922 4.224 1.00 0.00 N ATOM 828 CA VAL A 63 -0.960 2.742 4.842 1.00 0.00 C ATOM 829 C VAL A 63 -1.464 1.457 4.185 1.00 0.00 C ATOM 830 O VAL A 63 -2.614 1.384 3.757 1.00 0.00 O ATOM 831 CB VAL A 63 -1.266 2.705 6.354 1.00 0.00 C ATOM 832 CG1 VAL A 63 -0.591 1.517 7.025 1.00 0.00 C ATOM 833 CG2 VAL A 63 -0.832 4.006 7.010 1.00 0.00 C ATOM 0 H VAL A 63 -1.995 4.565 4.883 1.00 0.00 H new ATOM 0 HA VAL A 63 0.118 2.807 4.696 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.343 2.590 6.479 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.826 1.519 8.089 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.952 0.592 6.575 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.488 1.589 6.891 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.053 3.967 8.077 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.239 4.146 6.867 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.370 4.839 6.558 1.00 0.00 H new ATOM 843 N ASN A 64 -0.584 0.451 4.110 1.00 0.00 N ATOM 844 CA ASN A 64 -0.911 -0.847 3.510 1.00 0.00 C ATOM 845 C ASN A 64 -0.671 -0.846 2.002 1.00 0.00 C ATOM 846 O ASN A 64 -1.064 -1.780 1.305 1.00 0.00 O ATOM 847 CB ASN A 64 -2.357 -1.258 3.812 1.00 0.00 C ATOM 848 CG ASN A 64 -2.700 -1.132 5.285 1.00 0.00 C ATOM 849 OD1 ASN A 64 -2.251 -1.929 6.109 1.00 0.00 O ATOM 850 ND2 ASN A 64 -3.501 -0.128 5.623 1.00 0.00 N ATOM 0 H ASN A 64 0.371 0.514 4.462 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.243 -1.580 3.963 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.037 -0.637 3.229 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.513 -2.288 3.492 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.767 0.006 6.599 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.850 0.509 4.907 1.00 0.00 H new ATOM 857 N ASP A 65 -0.010 0.195 1.504 1.00 0.00 N ATOM 858 CA ASP A 65 0.293 0.295 0.084 1.00 0.00 C ATOM 859 C ASP A 65 1.662 -0.312 -0.206 1.00 0.00 C ATOM 860 O ASP A 65 2.683 0.185 0.271 1.00 0.00 O ATOM 861 CB ASP A 65 0.258 1.756 -0.369 1.00 0.00 C ATOM 862 CG ASP A 65 -1.088 2.150 -0.943 1.00 0.00 C ATOM 863 OD1 ASP A 65 -2.105 1.547 -0.541 1.00 0.00 O ATOM 864 OD2 ASP A 65 -1.126 3.063 -1.794 1.00 0.00 O ATOM 0 H ASP A 65 0.325 0.979 2.064 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.463 -0.259 -0.472 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.492 2.402 0.477 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.032 1.920 -1.119 1.00 0.00 H new ATOM 869 N GLN A 66 1.677 -1.388 -0.983 1.00 0.00 N ATOM 870 CA GLN A 66 2.923 -2.062 -1.325 1.00 0.00 C ATOM 871 C GLN A 66 3.727 -1.238 -2.322 1.00 0.00 C ATOM 872 O GLN A 66 3.207 -0.820 -3.355 1.00 0.00 O ATOM 873 CB GLN A 66 2.632 -3.452 -1.898 1.00 0.00 C ATOM 874 CG GLN A 66 3.849 -4.141 -2.499 1.00 0.00 C ATOM 875 CD GLN A 66 4.160 -5.467 -1.832 1.00 0.00 C ATOM 876 OE1 GLN A 66 5.259 -5.512 -1.093 1.00 0.00 O flip ATOM 877 NE2 GLN A 66 3.419 -6.439 -1.983 1.00 0.00 N flip ATOM 0 H GLN A 66 0.842 -1.812 -1.387 1.00 0.00 H new ATOM 0 HA GLN A 66 3.515 -2.172 -0.416 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.224 -4.082 -1.107 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.862 -3.364 -2.664 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.680 -4.305 -3.563 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.714 -3.483 -2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.583 -6.358 -2.561 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.641 -7.325 -1.530 1.00 0.00 H new ATOM 886 N LEU A 67 4.998 -1.013 -2.008 1.00 0.00 N ATOM 887 CA LEU A 67 5.874 -0.239 -2.880 1.00 0.00 C ATOM 888 C LEU A 67 6.446 -1.116 -3.988 1.00 0.00 C ATOM 889 O LEU A 67 6.596 -2.326 -3.819 1.00 0.00 O ATOM 890 CB LEU A 67 7.007 0.389 -2.070 1.00 0.00 C ATOM 891 CG LEU A 67 6.556 1.212 -0.861 1.00 0.00 C ATOM 892 CD1 LEU A 67 7.753 1.616 -0.015 1.00 0.00 C ATOM 893 CD2 LEU A 67 5.776 2.438 -1.311 1.00 0.00 C ATOM 0 H LEU A 67 5.444 -1.355 -1.157 1.00 0.00 H new ATOM 0 HA LEU A 67 5.284 0.555 -3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.670 -0.404 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.593 1.030 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 67 5.898 0.595 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.414 2.200 0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.268 0.722 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.437 2.215 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.463 3.011 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.409 3.059 -1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.896 2.124 -1.873 1.00 0.00 H new ATOM 905 N ILE A 68 6.760 -0.501 -5.122 1.00 0.00 N ATOM 906 CA ILE A 68 7.309 -1.231 -6.258 1.00 0.00 C ATOM 907 C ILE A 68 8.352 -0.406 -7.006 1.00 0.00 C ATOM 908 O ILE A 68 9.383 -0.931 -7.425 1.00 0.00 O ATOM 909 CB ILE A 68 6.203 -1.651 -7.241 1.00 0.00 C ATOM 910 CG1 ILE A 68 5.050 -2.317 -6.487 1.00 0.00 C ATOM 911 CG2 ILE A 68 6.761 -2.589 -8.303 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.892 -2.709 -7.379 1.00 0.00 C ATOM 0 H ILE A 68 6.644 0.500 -5.279 1.00 0.00 H new ATOM 0 HA ILE A 68 7.787 -2.122 -5.852 1.00 0.00 H new ATOM 0 HB ILE A 68 5.823 -0.759 -7.739 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.424 -3.206 -5.979 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.690 -1.637 -5.715 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.965 -2.876 -8.990 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.552 -2.083 -8.856 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.166 -3.481 -7.824 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.111 -3.175 -6.778 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.492 -1.820 -7.867 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.238 -3.414 -8.135 1.00 0.00 H new ATOM 924 N ALA A 69 8.081 0.885 -7.179 1.00 0.00 N ATOM 925 CA ALA A 69 9.004 1.764 -7.885 1.00 0.00 C ATOM 926 C ALA A 69 9.133 3.114 -7.187 1.00 0.00 C ATOM 927 O ALA A 69 8.255 3.516 -6.424 1.00 0.00 O ATOM 928 CB ALA A 69 8.553 1.956 -9.325 1.00 0.00 C ATOM 0 H ALA A 69 7.234 1.342 -6.841 1.00 0.00 H new ATOM 0 HA ALA A 69 9.986 1.290 -7.880 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.252 2.615 -9.840 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.526 0.990 -9.830 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.558 2.401 -9.338 1.00 0.00 H new ATOM 934 N VAL A 70 10.233 3.806 -7.460 1.00 0.00 N ATOM 935 CA VAL A 70 10.485 5.113 -6.865 1.00 0.00 C ATOM 936 C VAL A 70 11.348 5.973 -7.783 1.00 0.00 C ATOM 937 O VAL A 70 12.469 5.600 -8.127 1.00 0.00 O ATOM 938 CB VAL A 70 11.175 4.983 -5.493 1.00 0.00 C ATOM 939 CG1 VAL A 70 12.538 4.323 -5.637 1.00 0.00 C ATOM 940 CG2 VAL A 70 11.299 6.344 -4.822 1.00 0.00 C ATOM 0 H VAL A 70 10.966 3.483 -8.091 1.00 0.00 H new ATOM 0 HA VAL A 70 9.516 5.594 -6.727 1.00 0.00 H new ATOM 0 HB VAL A 70 10.557 4.348 -4.858 1.00 0.00 H new ATOM 0 HG11 VAL A 70 13.008 4.241 -4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.417 3.328 -6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.167 4.926 -6.292 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.789 6.230 -3.855 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.891 7.008 -5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.306 6.770 -4.678 1.00 0.00 H new ATOM 950 N ASN A 71 10.815 7.125 -8.182 1.00 0.00 N ATOM 951 CA ASN A 71 11.537 8.037 -9.067 1.00 0.00 C ATOM 952 C ASN A 71 11.931 7.337 -10.365 1.00 0.00 C ATOM 953 O ASN A 71 12.945 7.671 -10.978 1.00 0.00 O ATOM 954 CB ASN A 71 12.788 8.575 -8.374 1.00 0.00 C ATOM 955 CG ASN A 71 12.465 9.510 -7.225 1.00 0.00 C ATOM 956 OD1 ASN A 71 12.005 10.632 -7.434 1.00 0.00 O ATOM 957 ND2 ASN A 71 12.705 9.048 -6.004 1.00 0.00 N ATOM 0 H ASN A 71 9.888 7.449 -7.908 1.00 0.00 H new ATOM 0 HA ASN A 71 10.873 8.869 -9.305 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.380 7.739 -8.001 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.404 9.101 -9.103 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.507 9.630 -5.190 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.087 8.111 -5.879 1.00 0.00 H new ATOM 964 N GLY A 72 11.128 6.361 -10.775 1.00 0.00 N ATOM 965 CA GLY A 72 11.417 5.625 -11.991 1.00 0.00 C ATOM 966 C GLY A 72 12.393 4.490 -11.758 1.00 0.00 C ATOM 967 O GLY A 72 13.078 4.050 -12.681 1.00 0.00 O ATOM 0 H GLY A 72 10.282 6.067 -10.287 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.489 5.225 -12.400 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.827 6.306 -12.737 1.00 0.00 H new ATOM 971 N GLU A 73 12.459 4.016 -10.517 1.00 0.00 N ATOM 972 CA GLU A 73 13.359 2.927 -10.159 1.00 0.00 C ATOM 973 C GLU A 73 12.601 1.812 -9.443 1.00 0.00 C ATOM 974 O GLU A 73 12.028 2.026 -8.376 1.00 0.00 O ATOM 975 CB GLU A 73 14.490 3.443 -9.267 1.00 0.00 C ATOM 976 CG GLU A 73 15.058 4.781 -9.716 1.00 0.00 C ATOM 977 CD GLU A 73 16.528 4.702 -10.077 1.00 0.00 C ATOM 978 OE1 GLU A 73 17.231 3.834 -9.517 1.00 0.00 O ATOM 979 OE2 GLU A 73 16.977 5.509 -10.918 1.00 0.00 O ATOM 0 H GLU A 73 11.898 4.371 -9.742 1.00 0.00 H new ATOM 0 HA GLU A 73 13.786 2.524 -11.077 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.121 3.539 -8.246 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.292 2.705 -9.248 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.495 5.139 -10.578 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.922 5.514 -8.921 1.00 0.00 H new ATOM 986 N SER A 74 12.603 0.625 -10.040 1.00 0.00 N ATOM 987 CA SER A 74 11.914 -0.522 -9.462 1.00 0.00 C ATOM 988 C SER A 74 12.632 -1.022 -8.213 1.00 0.00 C ATOM 989 O SER A 74 13.850 -0.897 -8.092 1.00 0.00 O ATOM 990 CB SER A 74 11.808 -1.650 -10.489 1.00 0.00 C ATOM 991 OG SER A 74 10.935 -2.672 -10.041 1.00 0.00 O ATOM 0 H SER A 74 13.074 0.432 -10.924 1.00 0.00 H new ATOM 0 HA SER A 74 10.912 -0.203 -9.176 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.447 -1.250 -11.436 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.797 -2.069 -10.676 1.00 0.00 H new ATOM 0 HG SER A 74 10.885 -3.379 -10.718 1.00 0.00 H new ATOM 997 N LEU A 75 11.865 -1.591 -7.288 1.00 0.00 N ATOM 998 CA LEU A 75 12.423 -2.114 -6.045 1.00 0.00 C ATOM 999 C LEU A 75 12.343 -3.639 -6.005 1.00 0.00 C ATOM 1000 O LEU A 75 13.051 -4.287 -5.234 1.00 0.00 O ATOM 1001 CB LEU A 75 11.683 -1.528 -4.841 1.00 0.00 C ATOM 1002 CG LEU A 75 11.688 -0.001 -4.751 1.00 0.00 C ATOM 1003 CD1 LEU A 75 10.595 0.479 -3.810 1.00 0.00 C ATOM 1004 CD2 LEU A 75 13.048 0.498 -4.288 1.00 0.00 C ATOM 0 H LEU A 75 10.855 -1.702 -7.376 1.00 0.00 H new ATOM 0 HA LEU A 75 13.472 -1.821 -6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.649 -1.871 -4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.127 -1.931 -3.931 1.00 0.00 H new ATOM 0 HG LEU A 75 11.491 0.406 -5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.612 1.568 -3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.625 0.149 -4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.763 0.065 -2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.035 1.586 -4.229 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.272 0.084 -3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.812 0.182 -4.998 1.00 0.00 H new ATOM 1016 N LEU A 76 11.472 -4.209 -6.836 1.00 0.00 N ATOM 1017 CA LEU A 76 11.297 -5.657 -6.891 1.00 0.00 C ATOM 1018 C LEU A 76 12.628 -6.369 -7.137 1.00 0.00 C ATOM 1019 O LEU A 76 12.774 -7.551 -6.823 1.00 0.00 O ATOM 1020 CB LEU A 76 10.292 -6.027 -7.984 1.00 0.00 C ATOM 1021 CG LEU A 76 9.200 -7.006 -7.552 1.00 0.00 C ATOM 1022 CD1 LEU A 76 8.414 -6.445 -6.378 1.00 0.00 C ATOM 1023 CD2 LEU A 76 8.271 -7.315 -8.717 1.00 0.00 C ATOM 0 H LEU A 76 10.877 -3.689 -7.480 1.00 0.00 H new ATOM 0 HA LEU A 76 10.913 -5.985 -5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.819 -5.114 -8.346 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.835 -6.459 -8.825 1.00 0.00 H new ATOM 0 HG LEU A 76 9.676 -7.934 -7.235 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.641 -7.156 -6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.087 -6.274 -5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.949 -5.503 -6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.500 -8.013 -8.392 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.803 -6.393 -9.064 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.844 -7.760 -9.531 1.00 0.00 H new ATOM 1035 N GLY A 77 13.594 -5.646 -7.697 1.00 0.00 N ATOM 1036 CA GLY A 77 14.894 -6.232 -7.969 1.00 0.00 C ATOM 1037 C GLY A 77 15.873 -6.053 -6.823 1.00 0.00 C ATOM 1038 O GLY A 77 17.083 -5.990 -7.036 1.00 0.00 O ATOM 0 H GLY A 77 13.500 -4.667 -7.967 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.772 -7.296 -8.173 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.310 -5.780 -8.870 1.00 0.00 H new ATOM 1042 N LYS A 78 15.348 -5.969 -5.602 1.00 0.00 N ATOM 1043 CA LYS A 78 16.186 -5.798 -4.420 1.00 0.00 C ATOM 1044 C LYS A 78 15.405 -6.101 -3.153 1.00 0.00 C ATOM 1045 O LYS A 78 14.185 -5.949 -3.103 1.00 0.00 O ATOM 1046 CB LYS A 78 16.749 -4.377 -4.364 1.00 0.00 C ATOM 1047 CG LYS A 78 15.683 -3.296 -4.278 1.00 0.00 C ATOM 1048 CD LYS A 78 16.302 -1.911 -4.175 1.00 0.00 C ATOM 1049 CE LYS A 78 17.076 -1.548 -5.432 1.00 0.00 C ATOM 1050 NZ LYS A 78 16.181 -1.049 -6.513 1.00 0.00 N ATOM 0 H LYS A 78 14.348 -6.017 -5.407 1.00 0.00 H new ATOM 0 HA LYS A 78 17.015 -6.502 -4.490 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.410 -4.292 -3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.359 -4.203 -5.251 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.042 -3.345 -5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.048 -3.478 -3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.518 -1.173 -4.004 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.968 -1.873 -3.313 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.817 -0.785 -5.194 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.621 -2.422 -5.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 16.067 -1.786 -7.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 15.251 -0.811 -6.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.599 -0.200 -6.945 1.00 0.00 H new ATOM 1064 N ALA A 79 16.126 -6.539 -2.132 1.00 0.00 N ATOM 1065 CA ALA A 79 15.528 -6.878 -0.852 1.00 0.00 C ATOM 1066 C ALA A 79 14.677 -5.731 -0.316 1.00 0.00 C ATOM 1067 O ALA A 79 14.878 -4.572 -0.683 1.00 0.00 O ATOM 1068 CB ALA A 79 16.619 -7.244 0.138 1.00 0.00 C ATOM 0 H ALA A 79 17.137 -6.669 -2.168 1.00 0.00 H new ATOM 0 HA ALA A 79 14.869 -7.735 -0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.169 -7.498 1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 79 17.179 -8.100 -0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.293 -6.397 0.266 1.00 0.00 H new ATOM 1074 N ASN A 80 13.721 -6.058 0.551 1.00 0.00 N ATOM 1075 CA ASN A 80 12.840 -5.052 1.131 1.00 0.00 C ATOM 1076 C ASN A 80 13.643 -3.934 1.788 1.00 0.00 C ATOM 1077 O ASN A 80 13.377 -2.755 1.562 1.00 0.00 O ATOM 1078 CB ASN A 80 11.893 -5.688 2.152 1.00 0.00 C ATOM 1079 CG ASN A 80 12.628 -6.475 3.220 1.00 0.00 C ATOM 1080 OD1 ASN A 80 13.302 -5.903 4.077 1.00 0.00 O ATOM 1081 ND2 ASN A 80 12.496 -7.795 3.178 1.00 0.00 N ATOM 0 H ASN A 80 13.538 -7.011 0.866 1.00 0.00 H new ATOM 0 HA ASN A 80 12.248 -4.622 0.323 1.00 0.00 H new ATOM 0 HB2 ASN A 80 11.299 -4.907 2.626 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.197 -6.348 1.634 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.963 -8.377 3.874 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.928 -8.228 2.450 1.00 0.00 H new ATOM 1088 N GLN A 81 14.628 -4.313 2.597 1.00 0.00 N ATOM 1089 CA GLN A 81 15.470 -3.338 3.280 1.00 0.00 C ATOM 1090 C GLN A 81 16.203 -2.462 2.272 1.00 0.00 C ATOM 1091 O GLN A 81 16.329 -1.251 2.457 1.00 0.00 O ATOM 1092 CB GLN A 81 16.474 -4.040 4.196 1.00 0.00 C ATOM 1093 CG GLN A 81 17.226 -5.172 3.520 1.00 0.00 C ATOM 1094 CD GLN A 81 18.539 -4.721 2.916 1.00 0.00 C ATOM 1095 OE1 GLN A 81 18.702 -4.954 1.619 1.00 0.00 O flip ATOM 1096 NE2 GLN A 81 19.397 -4.168 3.604 1.00 0.00 N flip ATOM 0 H GLN A 81 14.862 -5.286 2.795 1.00 0.00 H new ATOM 0 HA GLN A 81 14.827 -2.704 3.890 1.00 0.00 H new ATOM 0 HB2 GLN A 81 17.192 -3.307 4.564 1.00 0.00 H new ATOM 0 HB3 GLN A 81 15.947 -4.433 5.065 1.00 0.00 H new ATOM 0 HG2 GLN A 81 17.417 -5.961 4.247 1.00 0.00 H new ATOM 0 HG3 GLN A 81 16.600 -5.603 2.739 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.229 -4.009 4.597 1.00 0.00 H new ATOM 0 HE22 GLN A 81 20.275 -3.869 3.181 1.00 0.00 H new ATOM 1105 N GLU A 82 16.668 -3.081 1.193 1.00 0.00 N ATOM 1106 CA GLU A 82 17.372 -2.359 0.144 1.00 0.00 C ATOM 1107 C GLU A 82 16.398 -1.469 -0.606 1.00 0.00 C ATOM 1108 O GLU A 82 16.746 -0.374 -1.047 1.00 0.00 O ATOM 1109 CB GLU A 82 18.049 -3.338 -0.820 1.00 0.00 C ATOM 1110 CG GLU A 82 19.564 -3.222 -0.839 1.00 0.00 C ATOM 1111 CD GLU A 82 20.071 -2.381 -1.992 1.00 0.00 C ATOM 1112 OE1 GLU A 82 19.457 -1.331 -2.277 1.00 0.00 O ATOM 1113 OE2 GLU A 82 21.083 -2.770 -2.613 1.00 0.00 O ATOM 0 H GLU A 82 16.569 -4.082 1.023 1.00 0.00 H new ATOM 0 HA GLU A 82 18.144 -1.739 0.599 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.774 -4.356 -0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.667 -3.167 -1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 82 19.903 -2.785 0.100 1.00 0.00 H new ATOM 0 HG3 GLU A 82 20.000 -4.219 -0.903 1.00 0.00 H new ATOM 1120 N ALA A 83 15.168 -1.952 -0.735 1.00 0.00 N ATOM 1121 CA ALA A 83 14.130 -1.207 -1.421 1.00 0.00 C ATOM 1122 C ALA A 83 13.779 0.052 -0.642 1.00 0.00 C ATOM 1123 O ALA A 83 13.762 1.153 -1.192 1.00 0.00 O ATOM 1124 CB ALA A 83 12.901 -2.078 -1.625 1.00 0.00 C ATOM 0 H ALA A 83 14.869 -2.857 -0.372 1.00 0.00 H new ATOM 0 HA ALA A 83 14.502 -0.908 -2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.131 -1.505 -2.141 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.168 -2.949 -2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.522 -2.405 -0.657 1.00 0.00 H new ATOM 1130 N MET A 84 13.514 -0.116 0.650 1.00 0.00 N ATOM 1131 CA MET A 84 13.184 1.017 1.506 1.00 0.00 C ATOM 1132 C MET A 84 14.344 2.004 1.531 1.00 0.00 C ATOM 1133 O MET A 84 14.144 3.212 1.660 1.00 0.00 O ATOM 1134 CB MET A 84 12.849 0.553 2.923 1.00 0.00 C ATOM 1135 CG MET A 84 13.911 -0.332 3.549 1.00 0.00 C ATOM 1136 SD MET A 84 13.458 -0.881 5.206 1.00 0.00 S ATOM 1137 CE MET A 84 11.718 -1.241 4.975 1.00 0.00 C ATOM 0 H MET A 84 13.521 -1.019 1.124 1.00 0.00 H new ATOM 0 HA MET A 84 12.303 1.513 1.098 1.00 0.00 H new ATOM 0 HB2 MET A 84 12.701 1.428 3.556 1.00 0.00 H new ATOM 0 HB3 MET A 84 11.904 0.010 2.903 1.00 0.00 H new ATOM 0 HG2 MET A 84 14.076 -1.202 2.913 1.00 0.00 H new ATOM 0 HG3 MET A 84 14.854 0.213 3.595 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.300 -1.627 5.905 1.00 0.00 H new ATOM 0 HE2 MET A 84 11.192 -0.329 4.691 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.602 -1.986 4.188 1.00 0.00 H new ATOM 1147 N GLU A 85 15.556 1.481 1.380 1.00 0.00 N ATOM 1148 CA GLU A 85 16.749 2.315 1.354 1.00 0.00 C ATOM 1149 C GLU A 85 16.896 2.946 -0.026 1.00 0.00 C ATOM 1150 O GLU A 85 17.374 4.070 -0.165 1.00 0.00 O ATOM 1151 CB GLU A 85 17.989 1.482 1.692 1.00 0.00 C ATOM 1152 CG GLU A 85 19.303 2.227 1.511 1.00 0.00 C ATOM 1153 CD GLU A 85 19.872 2.734 2.823 1.00 0.00 C ATOM 1154 OE1 GLU A 85 19.925 1.946 3.791 1.00 0.00 O ATOM 1155 OE2 GLU A 85 20.266 3.918 2.881 1.00 0.00 O ATOM 0 H GLU A 85 15.737 0.483 1.274 1.00 0.00 H new ATOM 0 HA GLU A 85 16.652 3.103 2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 85 17.915 1.142 2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.998 0.592 1.063 1.00 0.00 H new ATOM 0 HG2 GLU A 85 20.028 1.567 1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.149 3.069 0.836 1.00 0.00 H new ATOM 1162 N THR A 86 16.464 2.206 -1.043 1.00 0.00 N ATOM 1163 CA THR A 86 16.527 2.673 -2.419 1.00 0.00 C ATOM 1164 C THR A 86 15.560 3.834 -2.628 1.00 0.00 C ATOM 1165 O THR A 86 15.854 4.773 -3.367 1.00 0.00 O ATOM 1166 CB THR A 86 16.203 1.517 -3.375 1.00 0.00 C ATOM 1167 OG1 THR A 86 17.335 0.686 -3.552 1.00 0.00 O ATOM 1168 CG2 THR A 86 15.745 1.958 -4.750 1.00 0.00 C ATOM 0 H THR A 86 16.064 1.274 -0.936 1.00 0.00 H new ATOM 0 HA THR A 86 17.535 3.029 -2.630 1.00 0.00 H new ATOM 0 HB THR A 86 15.379 0.985 -2.899 1.00 0.00 H new ATOM 0 HG1 THR A 86 17.473 0.145 -2.746 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.537 1.081 -5.363 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.840 2.559 -4.657 1.00 0.00 H new ATOM 0 HG23 THR A 86 16.528 2.552 -5.221 1.00 0.00 H new ATOM 1176 N LEU A 87 14.414 3.777 -1.958 1.00 0.00 N ATOM 1177 CA LEU A 87 13.427 4.841 -2.059 1.00 0.00 C ATOM 1178 C LEU A 87 13.863 6.010 -1.193 1.00 0.00 C ATOM 1179 O LEU A 87 13.641 7.172 -1.529 1.00 0.00 O ATOM 1180 CB LEU A 87 12.035 4.350 -1.645 1.00 0.00 C ATOM 1181 CG LEU A 87 11.931 3.764 -0.237 1.00 0.00 C ATOM 1182 CD1 LEU A 87 11.888 4.873 0.805 1.00 0.00 C ATOM 1183 CD2 LEU A 87 10.698 2.879 -0.127 1.00 0.00 C ATOM 0 H LEU A 87 14.148 3.008 -1.342 1.00 0.00 H new ATOM 0 HA LEU A 87 13.361 5.163 -3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.337 5.184 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.710 3.593 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 87 12.815 3.155 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.814 4.435 1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.797 5.470 0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.022 5.509 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.634 2.467 0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.806 3.470 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.769 2.065 -0.848 1.00 0.00 H new ATOM 1195 N ARG A 88 14.499 5.676 -0.076 1.00 0.00 N ATOM 1196 CA ARG A 88 14.999 6.668 0.861 1.00 0.00 C ATOM 1197 C ARG A 88 16.017 7.582 0.185 1.00 0.00 C ATOM 1198 O ARG A 88 15.900 8.807 0.233 1.00 0.00 O ATOM 1199 CB ARG A 88 15.643 5.960 2.052 1.00 0.00 C ATOM 1200 CG ARG A 88 15.060 6.368 3.391 1.00 0.00 C ATOM 1201 CD ARG A 88 15.994 6.014 4.537 1.00 0.00 C ATOM 1202 NE ARG A 88 15.982 7.029 5.588 1.00 0.00 N ATOM 1203 CZ ARG A 88 16.409 6.815 6.829 1.00 0.00 C ATOM 1204 NH1 ARG A 88 16.883 5.625 7.181 1.00 0.00 N ATOM 1205 NH2 ARG A 88 16.365 7.793 7.724 1.00 0.00 N ATOM 0 H ARG A 88 14.681 4.712 0.203 1.00 0.00 H new ATOM 0 HA ARG A 88 14.166 7.280 1.206 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.528 4.883 1.929 1.00 0.00 H new ATOM 0 HB3 ARG A 88 16.713 6.169 2.053 1.00 0.00 H new ATOM 0 HG2 ARG A 88 14.869 7.441 3.394 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.100 5.873 3.537 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.702 5.052 4.959 1.00 0.00 H new ATOM 0 HD3 ARG A 88 17.009 5.900 4.155 1.00 0.00 H new ATOM 0 HE ARG A 88 15.625 7.956 5.356 1.00 0.00 H new ATOM 0 HH11 ARG A 88 16.921 4.869 6.498 1.00 0.00 H new ATOM 0 HH12 ARG A 88 17.209 5.468 8.135 1.00 0.00 H new ATOM 0 HH21 ARG A 88 16.003 8.710 7.460 1.00 0.00 H new ATOM 0 HH22 ARG A 88 16.693 7.628 8.676 1.00 0.00 H new ATOM 1219 N ARG A 89 17.014 6.974 -0.449 1.00 0.00 N ATOM 1220 CA ARG A 89 18.049 7.727 -1.142 1.00 0.00 C ATOM 1221 C ARG A 89 17.490 8.340 -2.422 1.00 0.00 C ATOM 1222 O ARG A 89 17.883 9.434 -2.819 1.00 0.00 O ATOM 1223 CB ARG A 89 19.258 6.818 -1.424 1.00 0.00 C ATOM 1224 CG ARG A 89 19.644 6.707 -2.890 1.00 0.00 C ATOM 1225 CD ARG A 89 18.709 5.768 -3.622 1.00 0.00 C ATOM 1226 NE ARG A 89 18.419 6.226 -4.978 1.00 0.00 N ATOM 1227 CZ ARG A 89 18.161 5.414 -6.002 1.00 0.00 C ATOM 1228 NH1 ARG A 89 18.138 4.097 -5.829 1.00 0.00 N ATOM 1229 NH2 ARG A 89 17.919 5.922 -7.202 1.00 0.00 N ATOM 0 H ARG A 89 17.126 5.961 -0.496 1.00 0.00 H new ATOM 0 HA ARG A 89 18.388 8.546 -0.508 1.00 0.00 H new ATOM 0 HB2 ARG A 89 20.115 7.193 -0.865 1.00 0.00 H new ATOM 0 HB3 ARG A 89 19.041 5.820 -1.043 1.00 0.00 H new ATOM 0 HG2 ARG A 89 19.614 7.693 -3.354 1.00 0.00 H new ATOM 0 HG3 ARG A 89 20.669 6.346 -2.975 1.00 0.00 H new ATOM 0 HD2 ARG A 89 19.154 4.774 -3.663 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.777 5.677 -3.064 1.00 0.00 H new ATOM 0 HE ARG A 89 18.414 7.231 -5.152 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.319 3.701 -4.907 1.00 0.00 H new ATOM 0 HH12 ARG A 89 17.940 3.482 -6.618 1.00 0.00 H new ATOM 0 HH21 ARG A 89 17.931 6.933 -7.340 1.00 0.00 H new ATOM 0 HH22 ARG A 89 17.721 5.302 -7.988 1.00 0.00 H new ATOM 1243 N SER A 90 16.564 7.634 -3.058 1.00 0.00 N ATOM 1244 CA SER A 90 15.949 8.121 -4.284 1.00 0.00 C ATOM 1245 C SER A 90 15.011 9.283 -3.983 1.00 0.00 C ATOM 1246 O SER A 90 14.816 10.172 -4.814 1.00 0.00 O ATOM 1247 CB SER A 90 15.182 6.994 -4.980 1.00 0.00 C ATOM 1248 OG SER A 90 14.696 7.412 -6.244 1.00 0.00 O ATOM 0 H SER A 90 16.224 6.725 -2.746 1.00 0.00 H new ATOM 0 HA SER A 90 16.738 8.471 -4.949 1.00 0.00 H new ATOM 0 HB2 SER A 90 15.834 6.130 -5.105 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.349 6.676 -4.353 1.00 0.00 H new ATOM 0 HG SER A 90 14.944 6.752 -6.924 1.00 0.00 H new ATOM 1254 N MET A 91 14.432 9.265 -2.787 1.00 0.00 N ATOM 1255 CA MET A 91 13.513 10.312 -2.363 1.00 0.00 C ATOM 1256 C MET A 91 14.258 11.456 -1.681 1.00 0.00 C ATOM 1257 O MET A 91 13.777 12.587 -1.652 1.00 0.00 O ATOM 1258 CB MET A 91 12.459 9.735 -1.416 1.00 0.00 C ATOM 1259 CG MET A 91 12.972 9.466 -0.006 1.00 0.00 C ATOM 1260 SD MET A 91 11.692 8.847 1.107 1.00 0.00 S ATOM 1261 CE MET A 91 10.531 8.134 -0.055 1.00 0.00 C ATOM 0 H MET A 91 14.585 8.533 -2.093 1.00 0.00 H new ATOM 0 HA MET A 91 13.020 10.709 -3.250 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.619 10.427 -1.360 1.00 0.00 H new ATOM 0 HB3 MET A 91 12.078 8.804 -1.837 1.00 0.00 H new ATOM 0 HG2 MET A 91 13.785 8.742 -0.054 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.388 10.386 0.404 1.00 0.00 H new ATOM 0 HE1 MET A 91 9.740 7.619 0.490 1.00 0.00 H new ATOM 0 HE2 MET A 91 10.095 8.925 -0.666 1.00 0.00 H new ATOM 0 HE3 MET A 91 11.050 7.423 -0.698 1.00 0.00 H new ATOM 1271 N SER A 92 15.425 11.152 -1.119 1.00 0.00 N ATOM 1272 CA SER A 92 16.215 12.163 -0.421 1.00 0.00 C ATOM 1273 C SER A 92 17.478 12.538 -1.194 1.00 0.00 C ATOM 1274 O SER A 92 18.447 13.020 -0.610 1.00 0.00 O ATOM 1275 CB SER A 92 16.594 11.663 0.974 1.00 0.00 C ATOM 1276 OG SER A 92 16.749 12.741 1.879 1.00 0.00 O ATOM 0 H SER A 92 15.842 10.221 -1.133 1.00 0.00 H new ATOM 0 HA SER A 92 15.598 13.058 -0.338 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.825 10.984 1.341 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.522 11.094 0.920 1.00 0.00 H new ATOM 0 HG SER A 92 16.990 12.394 2.763 1.00 0.00 H new ATOM 1282 N THR A 93 17.469 12.317 -2.505 1.00 0.00 N ATOM 1283 CA THR A 93 18.629 12.640 -3.330 1.00 0.00 C ATOM 1284 C THR A 93 18.232 12.935 -4.775 1.00 0.00 C ATOM 1285 O THR A 93 18.830 13.789 -5.427 1.00 0.00 O ATOM 1286 CB THR A 93 19.642 11.492 -3.268 1.00 0.00 C ATOM 1287 OG1 THR A 93 20.956 11.991 -3.098 1.00 0.00 O ATOM 1288 CG2 THR A 93 19.648 10.595 -4.490 1.00 0.00 C ATOM 0 H THR A 93 16.680 11.920 -3.015 1.00 0.00 H new ATOM 0 HA THR A 93 19.088 13.546 -2.933 1.00 0.00 H new ATOM 0 HB THR A 93 19.324 10.893 -2.415 1.00 0.00 H new ATOM 0 HG1 THR A 93 21.588 11.243 -3.059 1.00 0.00 H new ATOM 0 HG21 THR A 93 20.394 9.810 -4.362 1.00 0.00 H new ATOM 0 HG22 THR A 93 18.664 10.144 -4.615 1.00 0.00 H new ATOM 0 HG23 THR A 93 19.891 11.185 -5.373 1.00 0.00 H new ATOM 1296 N GLU A 94 17.233 12.215 -5.273 1.00 0.00 N ATOM 1297 CA GLU A 94 16.775 12.396 -6.644 1.00 0.00 C ATOM 1298 C GLU A 94 15.422 13.095 -6.689 1.00 0.00 C ATOM 1299 O GLU A 94 15.304 14.208 -7.200 1.00 0.00 O ATOM 1300 CB GLU A 94 16.696 11.043 -7.351 1.00 0.00 C ATOM 1301 CG GLU A 94 17.912 10.167 -7.100 1.00 0.00 C ATOM 1302 CD GLU A 94 18.267 9.303 -8.295 1.00 0.00 C ATOM 1303 OE1 GLU A 94 17.686 8.206 -8.425 1.00 0.00 O ATOM 1304 OE2 GLU A 94 19.125 9.723 -9.099 1.00 0.00 O ATOM 0 H GLU A 94 16.726 11.502 -4.748 1.00 0.00 H new ATOM 0 HA GLU A 94 17.495 13.030 -7.161 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.802 10.517 -7.017 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.588 11.206 -8.423 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.764 10.798 -6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.722 9.528 -6.238 1.00 0.00 H new ATOM 1311 N GLY A 95 14.405 12.436 -6.152 1.00 0.00 N ATOM 1312 CA GLY A 95 13.071 13.009 -6.140 1.00 0.00 C ATOM 1313 C GLY A 95 13.039 14.401 -5.542 1.00 0.00 C ATOM 1314 O GLY A 95 12.251 15.249 -5.963 1.00 0.00 O ATOM 0 H GLY A 95 14.478 11.513 -5.723 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.687 13.047 -7.159 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.405 12.359 -5.572 1.00 0.00 H new ATOM 1318 N ASN A 96 13.899 14.637 -4.559 1.00 0.00 N ATOM 1319 CA ASN A 96 13.972 15.935 -3.902 1.00 0.00 C ATOM 1320 C ASN A 96 14.569 16.977 -4.847 1.00 0.00 C ATOM 1321 O ASN A 96 14.179 18.143 -4.823 1.00 0.00 O ATOM 1322 CB ASN A 96 14.797 15.823 -2.611 1.00 0.00 C ATOM 1323 CG ASN A 96 15.428 17.136 -2.185 1.00 0.00 C ATOM 1324 OD1 ASN A 96 14.687 18.224 -2.335 1.00 0.00 O flip ATOM 1325 ND2 ASN A 96 16.572 17.168 -1.727 1.00 0.00 N flip ATOM 0 H ASN A 96 14.556 13.945 -4.199 1.00 0.00 H new ATOM 0 HA ASN A 96 12.965 16.259 -3.639 1.00 0.00 H new ATOM 0 HB2 ASN A 96 14.155 15.459 -1.809 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.582 15.080 -2.753 1.00 0.00 H new ATOM 0 HD21 ASN A 96 17.107 16.305 -1.629 1.00 0.00 H new ATOM 0 HD22 ASN A 96 16.984 18.058 -1.446 1.00 0.00 H new ATOM 1332 N LYS A 97 15.513 16.540 -5.679 1.00 0.00 N ATOM 1333 CA LYS A 97 16.171 17.421 -6.643 1.00 0.00 C ATOM 1334 C LYS A 97 15.190 18.419 -7.247 1.00 0.00 C ATOM 1335 O LYS A 97 15.463 19.617 -7.316 1.00 0.00 O ATOM 1336 CB LYS A 97 16.808 16.595 -7.745 1.00 0.00 C ATOM 1337 CG LYS A 97 17.880 15.665 -7.226 1.00 0.00 C ATOM 1338 CD LYS A 97 18.711 15.109 -8.355 1.00 0.00 C ATOM 1339 CE LYS A 97 19.849 16.045 -8.720 1.00 0.00 C ATOM 1340 NZ LYS A 97 21.057 15.300 -9.175 1.00 0.00 N ATOM 0 H LYS A 97 15.841 15.575 -5.705 1.00 0.00 H new ATOM 0 HA LYS A 97 16.941 17.983 -6.114 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.037 16.011 -8.248 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.240 17.262 -8.491 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.523 16.200 -6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.419 14.847 -6.673 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.115 14.138 -8.067 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.079 14.945 -9.228 1.00 0.00 H new ATOM 0 HE2 LYS A 97 19.523 16.723 -9.508 1.00 0.00 H new ATOM 0 HE3 LYS A 97 20.105 16.659 -7.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 21.811 15.975 -9.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 21.384 14.671 -8.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 20.820 14.733 -10.014 1.00 0.00 H new ATOM 1354 N ARG A 98 14.042 17.909 -7.670 1.00 0.00 N ATOM 1355 CA ARG A 98 13.002 18.741 -8.258 1.00 0.00 C ATOM 1356 C ARG A 98 12.031 19.227 -7.186 1.00 0.00 C ATOM 1357 O ARG A 98 11.386 20.265 -7.341 1.00 0.00 O ATOM 1358 CB ARG A 98 12.245 17.966 -9.337 1.00 0.00 C ATOM 1359 CG ARG A 98 11.685 16.641 -8.847 1.00 0.00 C ATOM 1360 CD ARG A 98 12.306 15.466 -9.586 1.00 0.00 C ATOM 1361 NE ARG A 98 11.357 14.370 -9.766 1.00 0.00 N ATOM 1362 CZ ARG A 98 10.430 14.340 -10.721 1.00 0.00 C ATOM 1363 NH1 ARG A 98 10.319 15.344 -11.580 1.00 0.00 N ATOM 1364 NH2 ARG A 98 9.609 13.302 -10.814 1.00 0.00 N ATOM 0 H ARG A 98 13.807 16.918 -7.616 1.00 0.00 H new ATOM 0 HA ARG A 98 13.478 19.608 -8.715 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.427 18.582 -9.710 1.00 0.00 H new ATOM 0 HB3 ARG A 98 12.914 17.781 -10.178 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.871 16.539 -7.778 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.604 16.628 -8.985 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.665 15.799 -10.560 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.174 15.107 -9.032 1.00 0.00 H new ATOM 0 HE ARG A 98 11.408 13.581 -9.122 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.946 16.146 -11.511 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.607 15.315 -12.309 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.688 12.528 -10.154 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.898 13.278 -11.545 1.00 0.00 H new ATOM 1378 N GLY A 99 11.932 18.470 -6.094 1.00 0.00 N ATOM 1379 CA GLY A 99 11.039 18.840 -5.012 1.00 0.00 C ATOM 1380 C GLY A 99 9.965 17.799 -4.753 1.00 0.00 C ATOM 1381 O GLY A 99 9.164 17.950 -3.831 1.00 0.00 O ATOM 0 H GLY A 99 12.455 17.608 -5.941 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.620 18.989 -4.102 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.565 19.793 -5.248 1.00 0.00 H new ATOM 1385 N MET A 100 9.941 16.745 -5.567 1.00 0.00 N ATOM 1386 CA MET A 100 8.951 15.689 -5.414 1.00 0.00 C ATOM 1387 C MET A 100 9.406 14.398 -6.088 1.00 0.00 C ATOM 1388 O MET A 100 10.034 14.421 -7.146 1.00 0.00 O ATOM 1389 CB MET A 100 7.621 16.137 -6.011 1.00 0.00 C ATOM 1390 CG MET A 100 7.703 16.443 -7.496 1.00 0.00 C ATOM 1391 SD MET A 100 6.527 15.497 -8.477 1.00 0.00 S ATOM 1392 CE MET A 100 7.361 13.914 -8.562 1.00 0.00 C ATOM 0 H MET A 100 10.595 16.603 -6.336 1.00 0.00 H new ATOM 0 HA MET A 100 8.830 15.492 -4.349 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.876 15.358 -5.848 1.00 0.00 H new ATOM 0 HB3 MET A 100 7.274 17.025 -5.483 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.525 17.507 -7.652 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.713 16.234 -7.849 1.00 0.00 H new ATOM 0 HE1 MET A 100 6.942 13.325 -9.378 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.425 14.072 -8.738 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.224 13.380 -7.622 1.00 0.00 H new ATOM 1402 N ILE A 101 9.078 13.273 -5.463 1.00 0.00 N ATOM 1403 CA ILE A 101 9.440 11.964 -5.983 1.00 0.00 C ATOM 1404 C ILE A 101 8.191 11.182 -6.381 1.00 0.00 C ATOM 1405 O ILE A 101 7.171 11.246 -5.698 1.00 0.00 O ATOM 1406 CB ILE A 101 10.271 11.161 -4.945 1.00 0.00 C ATOM 1407 CG1 ILE A 101 9.663 9.781 -4.670 1.00 0.00 C ATOM 1408 CG2 ILE A 101 10.407 11.943 -3.646 1.00 0.00 C ATOM 1409 CD1 ILE A 101 10.369 9.014 -3.577 1.00 0.00 C ATOM 0 H ILE A 101 8.557 13.244 -4.587 1.00 0.00 H new ATOM 0 HA ILE A 101 10.057 12.114 -6.869 1.00 0.00 H new ATOM 0 HB ILE A 101 11.261 11.008 -5.374 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.615 9.903 -4.397 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.687 9.194 -5.588 1.00 0.00 H new ATOM 0 HG21 ILE A 101 10.992 11.364 -2.932 1.00 0.00 H new ATOM 0 HG22 ILE A 101 10.909 12.890 -3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 101 9.417 12.136 -3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.883 8.048 -3.438 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.411 8.860 -3.856 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.322 9.580 -2.647 1.00 0.00 H new ATOM 1421 N GLN A 102 8.273 10.443 -7.483 1.00 0.00 N ATOM 1422 CA GLN A 102 7.138 9.654 -7.943 1.00 0.00 C ATOM 1423 C GLN A 102 7.137 8.284 -7.274 1.00 0.00 C ATOM 1424 O GLN A 102 8.163 7.605 -7.233 1.00 0.00 O ATOM 1425 CB GLN A 102 7.157 9.507 -9.470 1.00 0.00 C ATOM 1426 CG GLN A 102 8.120 8.444 -9.975 1.00 0.00 C ATOM 1427 CD GLN A 102 7.456 7.095 -10.171 1.00 0.00 C ATOM 1428 OE1 GLN A 102 6.445 6.982 -10.863 1.00 0.00 O ATOM 1429 NE2 GLN A 102 8.023 6.063 -9.558 1.00 0.00 N ATOM 0 H GLN A 102 9.105 10.375 -8.068 1.00 0.00 H new ATOM 0 HA GLN A 102 6.223 10.178 -7.665 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.151 9.265 -9.814 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.424 10.466 -9.914 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.553 8.772 -10.920 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.942 8.340 -9.267 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.861 6.203 -8.994 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.621 5.130 -9.651 1.00 0.00 H new ATOM 1438 N LEU A 103 5.988 7.887 -6.736 1.00 0.00 N ATOM 1439 CA LEU A 103 5.878 6.603 -6.057 1.00 0.00 C ATOM 1440 C LEU A 103 4.922 5.662 -6.766 1.00 0.00 C ATOM 1441 O LEU A 103 3.810 6.039 -7.134 1.00 0.00 O ATOM 1442 CB LEU A 103 5.410 6.800 -4.618 1.00 0.00 C ATOM 1443 CG LEU A 103 6.374 7.574 -3.727 1.00 0.00 C ATOM 1444 CD1 LEU A 103 7.773 6.988 -3.815 1.00 0.00 C ATOM 1445 CD2 LEU A 103 6.377 9.043 -4.112 1.00 0.00 C ATOM 0 H LEU A 103 5.126 8.432 -6.757 1.00 0.00 H new ATOM 0 HA LEU A 103 6.871 6.153 -6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.453 7.322 -4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.233 5.821 -4.172 1.00 0.00 H new ATOM 0 HG LEU A 103 6.039 7.489 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.446 7.555 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.753 5.947 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.126 7.041 -4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.069 9.586 -3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.690 9.146 -5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.374 9.452 -3.993 1.00 0.00 H new ATOM 1457 N ILE A 104 5.353 4.423 -6.922 1.00 0.00 N ATOM 1458 CA ILE A 104 4.532 3.401 -7.552 1.00 0.00 C ATOM 1459 C ILE A 104 4.257 2.281 -6.557 1.00 0.00 C ATOM 1460 O ILE A 104 5.170 1.560 -6.151 1.00 0.00 O ATOM 1461 CB ILE A 104 5.212 2.823 -8.813 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.334 3.902 -9.890 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.433 1.628 -9.348 1.00 0.00 C ATOM 1464 CD1 ILE A 104 6.189 3.488 -11.068 1.00 0.00 C ATOM 0 H ILE A 104 6.271 4.098 -6.620 1.00 0.00 H new ATOM 0 HA ILE A 104 3.594 3.864 -7.859 1.00 0.00 H new ATOM 0 HB ILE A 104 6.211 2.485 -8.539 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.337 4.160 -10.248 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.756 4.803 -9.444 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.930 1.237 -10.236 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.390 0.851 -8.585 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.421 1.940 -9.606 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.230 4.302 -11.791 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.197 3.258 -10.723 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.756 2.606 -11.539 1.00 0.00 H new ATOM 1476 N VAL A 105 3.000 2.148 -6.153 1.00 0.00 N ATOM 1477 CA VAL A 105 2.614 1.125 -5.191 1.00 0.00 C ATOM 1478 C VAL A 105 1.554 0.196 -5.768 1.00 0.00 C ATOM 1479 O VAL A 105 1.091 0.387 -6.891 1.00 0.00 O ATOM 1480 CB VAL A 105 2.087 1.756 -3.886 1.00 0.00 C ATOM 1481 CG1 VAL A 105 3.146 2.651 -3.261 1.00 0.00 C ATOM 1482 CG2 VAL A 105 0.802 2.534 -4.142 1.00 0.00 C ATOM 0 H VAL A 105 2.231 2.735 -6.477 1.00 0.00 H new ATOM 0 HA VAL A 105 3.509 0.544 -4.967 1.00 0.00 H new ATOM 0 HB VAL A 105 1.860 0.953 -3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.757 3.088 -2.341 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.034 2.061 -3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.407 3.447 -3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.449 2.970 -3.208 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.995 3.328 -4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.042 1.861 -4.538 1.00 0.00 H new ATOM 1492 N ALA A 106 1.173 -0.810 -4.990 1.00 0.00 N ATOM 1493 CA ALA A 106 0.166 -1.766 -5.422 1.00 0.00 C ATOM 1494 C ALA A 106 -0.655 -2.261 -4.237 1.00 0.00 C ATOM 1495 O ALA A 106 -0.115 -2.516 -3.161 1.00 0.00 O ATOM 1496 CB ALA A 106 0.823 -2.936 -6.141 1.00 0.00 C ATOM 0 H ALA A 106 1.547 -0.983 -4.057 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.508 -1.264 -6.116 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.058 -3.644 -6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.363 -2.570 -7.014 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.519 -3.433 -5.466 1.00 0.00 H new ATOM 1502 N ARG A 107 -1.959 -2.393 -4.439 1.00 0.00 N ATOM 1503 CA ARG A 107 -2.847 -2.859 -3.377 1.00 0.00 C ATOM 1504 C ARG A 107 -4.105 -3.498 -3.953 1.00 0.00 C ATOM 1505 O ARG A 107 -4.298 -3.529 -5.169 1.00 0.00 O ATOM 1506 CB ARG A 107 -3.228 -1.708 -2.438 1.00 0.00 C ATOM 1507 CG ARG A 107 -3.236 -0.341 -3.104 1.00 0.00 C ATOM 1508 CD ARG A 107 -4.442 -0.169 -4.013 1.00 0.00 C ATOM 1509 NE ARG A 107 -5.535 0.533 -3.345 1.00 0.00 N ATOM 1510 CZ ARG A 107 -6.589 1.042 -3.981 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -6.693 0.932 -5.301 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -7.539 1.663 -3.298 1.00 0.00 N ATOM 0 H ARG A 107 -2.425 -2.186 -5.322 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.306 -3.613 -2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.217 -1.904 -2.023 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.529 -1.689 -1.602 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.241 0.437 -2.340 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.322 -0.212 -3.683 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -4.148 0.384 -4.905 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -4.789 -1.148 -4.344 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.488 0.640 -2.332 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -5.964 0.456 -5.832 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.502 1.323 -5.783 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.464 1.752 -2.285 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.346 2.053 -3.785 1.00 0.00 H new ATOM 1526 N ARG A 108 -4.955 -4.012 -3.071 1.00 0.00 N ATOM 1527 CA ARG A 108 -6.195 -4.658 -3.488 1.00 0.00 C ATOM 1528 C ARG A 108 -7.361 -3.675 -3.463 1.00 0.00 C ATOM 1529 O ARG A 108 -7.604 -3.011 -2.453 1.00 0.00 O ATOM 1530 CB ARG A 108 -6.502 -5.851 -2.581 1.00 0.00 C ATOM 1531 CG ARG A 108 -5.778 -7.125 -2.982 1.00 0.00 C ATOM 1532 CD ARG A 108 -6.586 -8.361 -2.621 1.00 0.00 C ATOM 1533 NE ARG A 108 -6.724 -8.520 -1.175 1.00 0.00 N ATOM 1534 CZ ARG A 108 -7.052 -9.665 -0.582 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -7.276 -10.756 -1.306 1.00 0.00 N ATOM 1536 NH2 ARG A 108 -7.157 -9.721 0.738 1.00 0.00 N ATOM 0 H ARG A 108 -4.808 -3.994 -2.062 1.00 0.00 H new ATOM 0 HA ARG A 108 -6.063 -5.009 -4.511 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.231 -5.597 -1.556 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.576 -6.036 -2.590 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.587 -7.114 -4.055 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.808 -7.165 -2.486 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.575 -8.293 -3.075 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -6.104 -9.245 -3.039 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.559 -7.704 -0.585 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.197 -10.719 -2.322 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.527 -11.631 -0.846 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -6.986 -8.886 1.299 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.408 -10.599 1.193 1.00 0.00 H new ATOM 1550 N ILE A 109 -8.082 -3.591 -4.574 1.00 0.00 N ATOM 1551 CA ILE A 109 -9.225 -2.694 -4.679 1.00 0.00 C ATOM 1552 C ILE A 109 -10.323 -3.100 -3.703 1.00 0.00 C ATOM 1553 O ILE A 109 -10.953 -2.253 -3.070 1.00 0.00 O ATOM 1554 CB ILE A 109 -9.806 -2.684 -6.108 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -8.700 -2.420 -7.129 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -10.903 -1.636 -6.229 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -8.961 -3.052 -8.479 1.00 0.00 C ATOM 0 H ILE A 109 -7.895 -4.135 -5.417 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.868 -1.694 -4.435 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.240 -3.663 -6.313 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.584 -1.344 -7.257 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -7.756 -2.798 -6.736 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.302 -1.642 -7.243 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.702 -1.863 -5.523 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.492 -0.651 -6.007 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.136 -2.824 -9.153 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.048 -4.132 -8.364 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.888 -2.656 -8.893 1.00 0.00 H new ATOM 1569 N SER A 110 -10.545 -4.405 -3.591 1.00 0.00 N ATOM 1570 CA SER A 110 -11.564 -4.938 -2.694 1.00 0.00 C ATOM 1571 C SER A 110 -12.963 -4.568 -3.177 1.00 0.00 C ATOM 1572 O SER A 110 -13.490 -3.510 -2.832 1.00 0.00 O ATOM 1573 CB SER A 110 -11.351 -4.421 -1.269 1.00 0.00 C ATOM 1574 OG SER A 110 -11.852 -5.338 -0.312 1.00 0.00 O ATOM 0 H SER A 110 -10.031 -5.115 -4.112 1.00 0.00 H new ATOM 0 HA SER A 110 -11.473 -6.024 -2.693 1.00 0.00 H new ATOM 0 HB2 SER A 110 -10.288 -4.254 -1.095 1.00 0.00 H new ATOM 0 HB3 SER A 110 -11.849 -3.459 -1.150 1.00 0.00 H new ATOM 0 HG SER A 110 -11.702 -4.985 0.590 1.00 0.00 H new TER 1580 SER A 110 ATOM 1581 N ASP B 3 3.484 -13.674 6.792 1.00 0.00 N ATOM 1582 CA ASP B 3 4.642 -13.908 5.937 1.00 0.00 C ATOM 1583 C ASP B 3 5.865 -13.162 6.461 1.00 0.00 C ATOM 1584 O ASP B 3 6.712 -12.717 5.687 1.00 0.00 O ATOM 1585 CB ASP B 3 4.342 -13.471 4.501 1.00 0.00 C ATOM 1586 CG ASP B 3 3.024 -14.022 3.994 1.00 0.00 C ATOM 1587 OD1 ASP B 3 1.965 -13.568 4.474 1.00 0.00 O ATOM 1588 OD2 ASP B 3 3.051 -14.909 3.113 1.00 0.00 O ATOM 0 HA ASP B 3 4.857 -14.977 5.947 1.00 0.00 H new ATOM 0 HB2 ASP B 3 4.321 -12.382 4.452 1.00 0.00 H new ATOM 0 HB3 ASP B 3 5.148 -13.804 3.847 1.00 0.00 H new ATOM 1593 N GLU B 4 5.950 -13.028 7.780 1.00 0.00 N ATOM 1594 CA GLU B 4 7.072 -12.334 8.407 1.00 0.00 C ATOM 1595 C GLU B 4 8.141 -13.324 8.859 1.00 0.00 C ATOM 1596 O GLU B 4 7.855 -14.496 9.100 1.00 0.00 O ATOM 1597 CB GLU B 4 6.584 -11.511 9.600 1.00 0.00 C ATOM 1598 CG GLU B 4 7.287 -10.170 9.742 1.00 0.00 C ATOM 1599 CD GLU B 4 6.348 -8.994 9.556 1.00 0.00 C ATOM 1600 OE1 GLU B 4 5.997 -8.694 8.396 1.00 0.00 O ATOM 1601 OE2 GLU B 4 5.965 -8.373 10.569 1.00 0.00 O ATOM 0 H GLU B 4 5.257 -13.390 8.436 1.00 0.00 H new ATOM 0 HA GLU B 4 7.513 -11.665 7.668 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.512 -11.341 9.500 1.00 0.00 H new ATOM 0 HB3 GLU B 4 6.731 -12.088 10.513 1.00 0.00 H new ATOM 0 HG2 GLU B 4 7.748 -10.109 10.728 1.00 0.00 H new ATOM 0 HG3 GLU B 4 8.091 -10.107 9.009 1.00 0.00 H new ATOM 1608 N ASP B 5 9.374 -12.841 8.973 1.00 0.00 N ATOM 1609 CA ASP B 5 10.488 -13.681 9.396 1.00 0.00 C ATOM 1610 C ASP B 5 10.773 -13.495 10.883 1.00 0.00 C ATOM 1611 O ASP B 5 11.922 -13.556 11.318 1.00 0.00 O ATOM 1612 CB ASP B 5 11.740 -13.354 8.581 1.00 0.00 C ATOM 1613 CG ASP B 5 12.623 -14.567 8.367 1.00 0.00 C ATOM 1614 OD1 ASP B 5 12.092 -15.698 8.373 1.00 0.00 O ATOM 1615 OD2 ASP B 5 13.847 -14.388 8.194 1.00 0.00 O ATOM 0 H ASP B 5 9.627 -11.872 8.778 1.00 0.00 H new ATOM 0 HA ASP B 5 10.213 -14.721 9.223 1.00 0.00 H new ATOM 0 HB2 ASP B 5 11.445 -12.948 7.614 1.00 0.00 H new ATOM 0 HB3 ASP B 5 12.310 -12.578 9.092 1.00 0.00 H new ATOM 1620 N GLN B 6 9.717 -13.266 11.658 1.00 0.00 N ATOM 1621 CA GLN B 6 9.850 -13.069 13.097 1.00 0.00 C ATOM 1622 C GLN B 6 10.653 -11.810 13.402 1.00 0.00 C ATOM 1623 O GLN B 6 11.745 -11.613 12.868 1.00 0.00 O ATOM 1624 CB GLN B 6 10.517 -14.286 13.741 1.00 0.00 C ATOM 1625 CG GLN B 6 9.790 -15.593 13.469 1.00 0.00 C ATOM 1626 CD GLN B 6 10.091 -16.151 12.091 1.00 0.00 C ATOM 1627 OE1 GLN B 6 9.151 -15.988 11.169 1.00 0.00 O flip ATOM 1628 NE2 GLN B 6 11.158 -16.723 11.859 1.00 0.00 N flip ATOM 0 H GLN B 6 8.759 -13.212 11.313 1.00 0.00 H new ATOM 0 HA GLN B 6 8.851 -12.949 13.516 1.00 0.00 H new ATOM 0 HB2 GLN B 6 11.540 -14.366 13.374 1.00 0.00 H new ATOM 0 HB3 GLN B 6 10.576 -14.130 14.818 1.00 0.00 H new ATOM 0 HG2 GLN B 6 10.074 -16.326 14.224 1.00 0.00 H new ATOM 0 HG3 GLN B 6 8.716 -15.434 13.566 1.00 0.00 H new ATOM 0 HE21 GLN B 6 11.853 -16.826 12.599 1.00 0.00 H new ATOM 0 HE22 GLN B 6 11.346 -17.093 10.927 1.00 0.00 H new ATOM 1637 N HIS B 7 10.105 -10.960 14.265 1.00 0.00 N ATOM 1638 CA HIS B 7 10.771 -9.717 14.641 1.00 0.00 C ATOM 1639 C HIS B 7 10.987 -8.827 13.423 1.00 0.00 C ATOM 1640 O HIS B 7 12.051 -8.848 12.805 1.00 0.00 O ATOM 1641 CB HIS B 7 12.111 -10.016 15.316 1.00 0.00 C ATOM 1642 CG HIS B 7 11.973 -10.577 16.697 1.00 0.00 C ATOM 1643 ND1 HIS B 7 12.720 -11.642 17.155 1.00 0.00 N ATOM 1644 CD2 HIS B 7 11.168 -10.216 17.724 1.00 0.00 C ATOM 1645 CE1 HIS B 7 12.379 -11.912 18.403 1.00 0.00 C ATOM 1646 NE2 HIS B 7 11.440 -11.061 18.770 1.00 0.00 N ATOM 0 H HIS B 7 9.203 -11.109 14.717 1.00 0.00 H new ATOM 0 HA HIS B 7 10.129 -9.187 15.345 1.00 0.00 H new ATOM 0 HB2 HIS B 7 12.669 -10.721 14.700 1.00 0.00 H new ATOM 0 HB3 HIS B 7 12.698 -9.099 15.362 1.00 0.00 H new ATOM 0 HD2 HIS B 7 10.446 -9.413 17.720 1.00 0.00 H new ATOM 0 HE1 HIS B 7 12.798 -12.695 19.017 1.00 0.00 H new ATOM 0 HE2 HIS B 7 10.989 -11.035 19.684 1.00 0.00 H new ATOM 1655 N SER B 8 9.966 -8.045 13.080 1.00 0.00 N ATOM 1656 CA SER B 8 10.040 -7.149 11.932 1.00 0.00 C ATOM 1657 C SER B 8 10.807 -5.876 12.283 1.00 0.00 C ATOM 1658 O SER B 8 11.492 -5.814 13.304 1.00 0.00 O ATOM 1659 CB SER B 8 8.633 -6.797 11.441 1.00 0.00 C ATOM 1660 OG SER B 8 7.640 -7.468 12.197 1.00 0.00 O ATOM 0 H SER B 8 9.078 -8.015 13.582 1.00 0.00 H new ATOM 0 HA SER B 8 10.575 -7.663 11.134 1.00 0.00 H new ATOM 0 HB2 SER B 8 8.480 -5.720 11.511 1.00 0.00 H new ATOM 0 HB3 SER B 8 8.535 -7.065 10.389 1.00 0.00 H new ATOM 0 HG SER B 8 6.835 -7.584 11.650 1.00 0.00 H new ATOM 1666 N GLN B 9 10.689 -4.865 11.428 1.00 0.00 N ATOM 1667 CA GLN B 9 11.367 -3.596 11.637 1.00 0.00 C ATOM 1668 C GLN B 9 10.833 -2.561 10.659 1.00 0.00 C ATOM 1669 O GLN B 9 10.790 -2.801 9.453 1.00 0.00 O ATOM 1670 CB GLN B 9 12.880 -3.774 11.464 1.00 0.00 C ATOM 1671 CG GLN B 9 13.682 -2.484 11.588 1.00 0.00 C ATOM 1672 CD GLN B 9 13.469 -1.527 10.426 1.00 0.00 C ATOM 1673 OE1 GLN B 9 13.247 -2.069 9.232 1.00 0.00 O flip ATOM 1674 NE2 GLN B 9 13.506 -0.309 10.600 1.00 0.00 N flip ATOM 0 H GLN B 9 10.125 -4.904 10.579 1.00 0.00 H new ATOM 0 HA GLN B 9 11.176 -3.248 12.652 1.00 0.00 H new ATOM 0 HB2 GLN B 9 13.238 -4.484 12.210 1.00 0.00 H new ATOM 0 HB3 GLN B 9 13.073 -4.215 10.486 1.00 0.00 H new ATOM 0 HG2 GLN B 9 13.409 -1.983 12.517 1.00 0.00 H new ATOM 0 HG3 GLN B 9 14.742 -2.729 11.658 1.00 0.00 H new ATOM 0 HE21 GLN B 9 13.679 0.068 11.532 1.00 0.00 H new ATOM 0 HE22 GLN B 9 13.364 0.323 9.812 1.00 0.00 H new ATOM 1683 N ILE B 10 10.417 -1.414 11.180 1.00 0.00 N ATOM 1684 CA ILE B 10 9.878 -0.355 10.338 1.00 0.00 C ATOM 1685 C ILE B 10 10.907 0.741 10.110 1.00 0.00 C ATOM 1686 O ILE B 10 11.581 1.185 11.040 1.00 0.00 O ATOM 1687 CB ILE B 10 8.602 0.271 10.932 1.00 0.00 C ATOM 1688 CG1 ILE B 10 7.830 -0.754 11.764 1.00 0.00 C ATOM 1689 CG2 ILE B 10 7.726 0.823 9.818 1.00 0.00 C ATOM 1690 CD1 ILE B 10 7.146 -1.823 10.938 1.00 0.00 C ATOM 0 H ILE B 10 10.442 -1.194 12.176 1.00 0.00 H new ATOM 0 HA ILE B 10 9.623 -0.822 9.387 1.00 0.00 H new ATOM 0 HB ILE B 10 8.892 1.090 11.591 1.00 0.00 H new ATOM 0 HG12 ILE B 10 8.517 -1.232 12.463 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.080 -0.234 12.360 1.00 0.00 H new ATOM 0 HG21 ILE B 10 6.826 1.264 10.247 1.00 0.00 H new ATOM 0 HG22 ILE B 10 8.276 1.586 9.267 1.00 0.00 H new ATOM 0 HG23 ILE B 10 7.447 0.016 9.141 1.00 0.00 H new ATOM 0 HD11 ILE B 10 6.620 -2.512 11.599 1.00 0.00 H new ATOM 0 HD12 ILE B 10 6.433 -1.357 10.258 1.00 0.00 H new ATOM 0 HD13 ILE B 10 7.892 -2.371 10.362 1.00 0.00 H new ATOM 1702 N THR B 11 11.017 1.170 8.862 1.00 0.00 N ATOM 1703 CA THR B 11 11.959 2.216 8.486 1.00 0.00 C ATOM 1704 C THR B 11 11.219 3.497 8.108 1.00 0.00 C ATOM 1705 O THR B 11 10.464 3.526 7.137 1.00 0.00 O ATOM 1706 CB THR B 11 12.838 1.735 7.325 1.00 0.00 C ATOM 1707 OG1 THR B 11 13.866 0.883 7.797 1.00 0.00 O ATOM 1708 CG2 THR B 11 13.499 2.858 6.550 1.00 0.00 C ATOM 0 H THR B 11 10.462 0.808 8.087 1.00 0.00 H new ATOM 0 HA THR B 11 12.598 2.437 9.341 1.00 0.00 H new ATOM 0 HB THR B 11 12.157 1.211 6.655 1.00 0.00 H new ATOM 0 HG1 THR B 11 14.004 0.152 7.159 1.00 0.00 H new ATOM 0 HG21 THR B 11 14.103 2.438 5.746 1.00 0.00 H new ATOM 0 HG22 THR B 11 12.733 3.508 6.127 1.00 0.00 H new ATOM 0 HG23 THR B 11 14.136 3.436 7.219 1.00 0.00 H new ATOM 1716 N LYS B 12 11.444 4.552 8.884 1.00 0.00 N ATOM 1717 CA LYS B 12 10.800 5.836 8.635 1.00 0.00 C ATOM 1718 C LYS B 12 11.486 6.577 7.491 1.00 0.00 C ATOM 1719 O LYS B 12 12.612 7.053 7.634 1.00 0.00 O ATOM 1720 CB LYS B 12 10.823 6.695 9.900 1.00 0.00 C ATOM 1721 CG LYS B 12 9.975 7.952 9.799 1.00 0.00 C ATOM 1722 CD LYS B 12 9.626 8.500 11.172 1.00 0.00 C ATOM 1723 CE LYS B 12 8.512 7.699 11.825 1.00 0.00 C ATOM 1724 NZ LYS B 12 8.239 8.158 13.215 1.00 0.00 N ATOM 0 H LYS B 12 12.068 4.543 9.691 1.00 0.00 H new ATOM 0 HA LYS B 12 9.765 5.646 8.351 1.00 0.00 H new ATOM 0 HB2 LYS B 12 10.472 6.097 10.741 1.00 0.00 H new ATOM 0 HB3 LYS B 12 11.853 6.978 10.118 1.00 0.00 H new ATOM 0 HG2 LYS B 12 10.513 8.710 9.229 1.00 0.00 H new ATOM 0 HG3 LYS B 12 9.059 7.731 9.251 1.00 0.00 H new ATOM 0 HD2 LYS B 12 10.511 8.480 11.808 1.00 0.00 H new ATOM 0 HD3 LYS B 12 9.321 9.543 11.082 1.00 0.00 H new ATOM 0 HE2 LYS B 12 7.604 7.787 11.229 1.00 0.00 H new ATOM 0 HE3 LYS B 12 8.783 6.643 11.838 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 7.473 7.587 13.625 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 9.098 8.050 13.791 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 7.955 9.158 13.201 1.00 0.00 H new ATOM 1738 N VAL B 13 10.801 6.667 6.356 1.00 0.00 N ATOM 1739 CA VAL B 13 11.345 7.350 5.189 1.00 0.00 C ATOM 1740 C VAL B 13 10.650 8.689 4.957 1.00 0.00 C ATOM 1741 O VAL B 13 9.924 9.145 5.867 1.00 0.00 O ATOM 1742 CB VAL B 13 11.211 6.482 3.919 1.00 0.00 C ATOM 1743 CG1 VAL B 13 11.857 5.122 4.132 1.00 0.00 C ATOM 1744 CG2 VAL B 13 9.750 6.325 3.522 1.00 0.00 C ATOM 1745 OXT VAL B 13 10.838 9.272 3.870 1.00 0.00 O ATOM 0 H VAL B 13 9.869 6.276 6.220 1.00 0.00 H new ATOM 0 HA VAL B 13 12.402 7.527 5.390 1.00 0.00 H new ATOM 0 HB VAL B 13 11.731 6.987 3.105 1.00 0.00 H new ATOM 0 HG11 VAL B 13 11.753 4.524 3.227 1.00 0.00 H new ATOM 0 HG12 VAL B 13 12.915 5.253 4.360 1.00 0.00 H new ATOM 0 HG13 VAL B 13 11.367 4.612 4.962 1.00 0.00 H new ATOM 0 HG21 VAL B 13 9.681 5.710 2.625 1.00 0.00 H new ATOM 0 HG22 VAL B 13 9.202 5.846 4.333 1.00 0.00 H new ATOM 0 HG23 VAL B 13 9.320 7.306 3.323 1.00 0.00 H new TER 1755 VAL B 13