USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 960 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 HIS : no HD1:sc= -0.753 X(o=0.47,f=0.27) USER MOD Set 1.2: A 89 THR OG1 : rot 63:sc= 1.22 USER MOD Set 2.1: A 65 ASN : amide:sc= 0 X(o=0.78,f=0.78) USER MOD Set 2.2: A 72 SER OG : rot -94:sc= 0.784 USER MOD Set 3.1: A 51 THR OG1 : rot 170:sc= -0.0159 USER MOD Set 3.2: A 53 TYR OH : rot 30:sc= 0.00331 USER MOD Set 4.1: A 44 ASN :FLIP amide:sc= 0 F(o=-4,f=-2.8) USER MOD Set 4.2: A 57 GLN : amide:sc= -2.82! C(o=-2.8!,f=-4.3!) USER MOD Set 5.1: A 24 SER OG : rot -29:sc= 0.649 USER MOD Set 5.2: A 27 ASN :FLIP amide:sc= 0.59 F(o=-1.6,f=1.2) USER MOD Set 6.1: A 23 TYR OH : rot -93:sc= 0.169 USER MOD Set 6.2: A 106 ASN : amide:sc= -0.17 X(o=-0.001,f=0.23) USER MOD Single : A 1 LYS N :NH3+ 152:sc= -0.4 (180deg=-1.87!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -170:sc= -13.5! (180deg=-13.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0.34) USER MOD Single : A 20 TYR OH : rot -164:sc= -0.792 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -97:sc= -1.24! USER MOD Single : A 37 ASN : amide:sc= -0.0134 X(o=-0.013,f=-0.29) USER MOD Single : A 39 ASN : amide:sc= -0.229 K(o=-0.23,f=-4.5!) USER MOD Single : A 40 THR OG1 : rot 86:sc= 0.418 USER MOD Single : A 41 GLN : amide:sc= -0.0478 X(o=-0.048,f=-0.19) USER MOD Single : A 43 THR OG1 : rot -17:sc= 0.409! USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0.26) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 41:sc= 0.715 USER MOD Single : A 59 ASN : amide:sc= -2.49! C(o=-2.5!,f=-6.2!) USER MOD Single : A 60 SER OG : rot -115:sc= 0.464! USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 74 ASN : amide:sc= -3.62! C(o=-3.6!,f=-5.8!) USER MOD Single : A 77 ASN : amide:sc= 0.0286 X(o=0.029,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 103:sc= 0.444 USER MOD Single : A 86 SER OG : rot -56:sc= 0.0126 USER MOD Single : A 91 SER OG : rot 92:sc= -0.6 USER MOD Single : A 93 ASN : amide:sc= 0.129 X(o=0.13,f=-0.11) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -32:sc= -0.318 USER MOD Single : A 103 ASN : amide:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 105 MET CE :methyl -148:sc= -3.76 (180deg=-5.61!) USER MOD Single : A 113 ASN :FLIP amide:sc= 0.542 F(o=0,f=0.54) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -57:sc= 0.714 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.989 -10.754 1.785 1.00 0.00 N ATOM 2 CA LYS A 1 -5.889 -11.346 0.979 1.00 0.00 C ATOM 3 C LYS A 1 -4.857 -10.291 0.593 1.00 0.00 C ATOM 4 O LYS A 1 -5.007 -9.606 -0.417 1.00 0.00 O ATOM 5 CB LYS A 1 -6.489 -11.982 -0.278 1.00 0.00 C ATOM 6 CG LYS A 1 -7.659 -11.202 -0.856 1.00 0.00 C ATOM 7 CD LYS A 1 -7.478 -10.951 -2.345 1.00 0.00 C ATOM 8 CE LYS A 1 -8.549 -11.655 -3.163 1.00 0.00 C ATOM 9 NZ LYS A 1 -8.433 -13.136 -3.076 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.860 -11.303 1.640 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.731 -10.774 2.792 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.147 -9.770 1.487 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.379 -12.102 1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -5.712 -12.070 -1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.819 -12.993 -0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -8.584 -11.754 -0.688 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.757 -10.250 -0.334 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -7.514 -9.879 -2.541 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.493 -11.299 -2.657 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.534 -11.347 -2.812 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.471 -11.346 -4.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -9.182 -13.577 -3.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.503 -13.433 -3.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.533 -13.434 -2.085 1.00 0.00 H new ATOM 25 N VAL A 2 -3.812 -10.165 1.405 1.00 0.00 N ATOM 26 CA VAL A 2 -2.756 -9.194 1.148 1.00 0.00 C ATOM 27 C VAL A 2 -1.590 -9.836 0.401 1.00 0.00 C ATOM 28 O VAL A 2 -1.263 -11.001 0.628 1.00 0.00 O ATOM 29 CB VAL A 2 -2.229 -8.580 2.466 1.00 0.00 C ATOM 30 CG1 VAL A 2 -0.972 -7.758 2.223 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.295 -7.720 3.123 1.00 0.00 C ATOM 0 H VAL A 2 -3.675 -10.724 2.247 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.190 -8.406 0.532 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.978 -9.402 3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.624 -7.338 3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.196 -8.396 1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.195 -6.950 1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.903 -7.298 4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.578 -6.913 2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.170 -8.331 3.345 1.00 0.00 H new ATOM 41 N PHE A 3 -0.947 -9.061 -0.468 1.00 0.00 N ATOM 42 CA PHE A 3 0.202 -9.538 -1.220 1.00 0.00 C ATOM 43 C PHE A 3 1.364 -9.835 -0.282 1.00 0.00 C ATOM 44 O PHE A 3 1.391 -9.376 0.860 1.00 0.00 O ATOM 45 CB PHE A 3 0.664 -8.476 -2.219 1.00 0.00 C ATOM 46 CG PHE A 3 -0.049 -8.495 -3.534 1.00 0.00 C ATOM 47 CD1 PHE A 3 0.403 -9.294 -4.570 1.00 0.00 C ATOM 48 CD2 PHE A 3 -1.158 -7.697 -3.740 1.00 0.00 C ATOM 49 CE1 PHE A 3 -0.242 -9.297 -5.789 1.00 0.00 C ATOM 50 CE2 PHE A 3 -1.808 -7.694 -4.957 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.350 -8.496 -5.985 1.00 0.00 C ATOM 0 H PHE A 3 -1.207 -8.095 -0.667 1.00 0.00 H new ATOM 0 HA PHE A 3 -0.099 -10.444 -1.746 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.536 -7.493 -1.767 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.731 -8.607 -2.399 1.00 0.00 H new ATOM 0 HD1 PHE A 3 1.270 -9.921 -4.422 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -1.520 -7.069 -2.940 1.00 0.00 H new ATOM 0 HE1 PHE A 3 0.119 -9.925 -6.590 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.674 -7.066 -5.106 1.00 0.00 H new ATOM 0 HZ PHE A 3 -1.857 -8.496 -6.939 1.00 0.00 H new ATOM 61 N GLY A 4 2.330 -10.581 -0.787 1.00 0.00 N ATOM 62 CA GLY A 4 3.504 -10.908 -0.007 1.00 0.00 C ATOM 63 C GLY A 4 4.568 -9.841 -0.155 1.00 0.00 C ATOM 64 O GLY A 4 4.529 -9.059 -1.103 1.00 0.00 O ATOM 0 H GLY A 4 2.323 -10.969 -1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.230 -11.011 1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.902 -11.871 -0.328 1.00 0.00 H new ATOM 68 N ARG A 5 5.511 -9.792 0.775 1.00 0.00 N ATOM 69 CA ARG A 5 6.570 -8.792 0.716 1.00 0.00 C ATOM 70 C ARG A 5 7.311 -8.864 -0.608 1.00 0.00 C ATOM 71 O ARG A 5 7.269 -7.921 -1.399 1.00 0.00 O ATOM 72 CB ARG A 5 7.546 -8.968 1.881 1.00 0.00 C ATOM 73 CG ARG A 5 7.413 -7.898 2.953 1.00 0.00 C ATOM 74 CD ARG A 5 8.761 -7.550 3.563 1.00 0.00 C ATOM 75 NE ARG A 5 8.977 -8.232 4.836 1.00 0.00 N ATOM 76 CZ ARG A 5 8.658 -7.710 6.017 1.00 0.00 C ATOM 77 NH1 ARG A 5 8.109 -6.505 6.085 1.00 0.00 N ATOM 78 NH2 ARG A 5 8.886 -8.394 7.129 1.00 0.00 N ATOM 0 H ARG A 5 5.566 -10.426 1.572 1.00 0.00 H new ATOM 0 HA ARG A 5 6.107 -7.808 0.797 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.385 -9.946 2.334 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.565 -8.959 1.495 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.966 -7.003 2.521 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.738 -8.246 3.735 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.555 -7.821 2.867 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.824 -6.472 3.714 1.00 0.00 H new ATOM 0 HE ARG A 5 9.396 -9.162 4.819 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.931 -5.977 5.231 1.00 0.00 H new ATOM 0 HH12 ARG A 5 7.865 -6.106 6.992 1.00 0.00 H new ATOM 0 HH21 ARG A 5 9.307 -9.322 7.080 1.00 0.00 H new ATOM 0 HH22 ARG A 5 8.641 -7.992 8.034 1.00 0.00 H new ATOM 92 N CYS A 6 7.981 -9.979 -0.856 1.00 0.00 N ATOM 93 CA CYS A 6 8.709 -10.139 -2.100 1.00 0.00 C ATOM 94 C CYS A 6 7.771 -10.539 -3.223 1.00 0.00 C ATOM 95 O CYS A 6 7.934 -10.093 -4.353 1.00 0.00 O ATOM 96 CB CYS A 6 9.823 -11.163 -1.961 1.00 0.00 C ATOM 97 SG CYS A 6 10.635 -11.165 -0.332 1.00 0.00 S ATOM 0 H CYS A 6 8.035 -10.775 -0.221 1.00 0.00 H new ATOM 0 HA CYS A 6 9.159 -9.177 -2.343 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.415 -12.155 -2.152 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.573 -10.973 -2.728 1.00 0.00 H new ATOM 102 N GLU A 7 6.777 -11.366 -2.908 1.00 0.00 N ATOM 103 CA GLU A 7 5.811 -11.787 -3.914 1.00 0.00 C ATOM 104 C GLU A 7 5.358 -10.561 -4.692 1.00 0.00 C ATOM 105 O GLU A 7 5.397 -10.530 -5.924 1.00 0.00 O ATOM 106 CB GLU A 7 4.613 -12.478 -3.261 1.00 0.00 C ATOM 107 CG GLU A 7 3.869 -13.419 -4.195 1.00 0.00 C ATOM 108 CD GLU A 7 2.384 -13.482 -3.899 1.00 0.00 C ATOM 109 OE1 GLU A 7 2.020 -13.874 -2.770 1.00 0.00 O ATOM 110 OE2 GLU A 7 1.585 -13.138 -4.795 1.00 0.00 O ATOM 0 H GLU A 7 6.622 -11.752 -1.977 1.00 0.00 H new ATOM 0 HA GLU A 7 6.277 -12.504 -4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.957 -13.039 -2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.921 -11.719 -2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.017 -13.094 -5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.295 -14.419 -4.112 1.00 0.00 H new ATOM 117 N LEU A 8 4.963 -9.539 -3.944 1.00 0.00 N ATOM 118 CA LEU A 8 4.535 -8.283 -4.525 1.00 0.00 C ATOM 119 C LEU A 8 5.686 -7.631 -5.282 1.00 0.00 C ATOM 120 O LEU A 8 5.492 -7.133 -6.386 1.00 0.00 O ATOM 121 CB LEU A 8 4.026 -7.341 -3.423 1.00 0.00 C ATOM 122 CG LEU A 8 3.580 -5.941 -3.873 1.00 0.00 C ATOM 123 CD1 LEU A 8 4.753 -4.972 -3.856 1.00 0.00 C ATOM 124 CD2 LEU A 8 2.939 -5.980 -5.254 1.00 0.00 C ATOM 0 H LEU A 8 4.932 -9.561 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 8 3.724 -8.479 -5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.186 -7.823 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.816 -7.226 -2.680 1.00 0.00 H new ATOM 0 HG LEU A 8 2.829 -5.589 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.416 -3.987 -4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.155 -4.905 -2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.529 -5.329 -4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.635 -4.974 -5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.658 -6.363 -5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.065 -6.631 -5.231 1.00 0.00 H new ATOM 136 N ALA A 9 6.886 -7.638 -4.687 1.00 0.00 N ATOM 137 CA ALA A 9 8.051 -7.029 -5.326 1.00 0.00 C ATOM 138 C ALA A 9 8.348 -7.664 -6.678 1.00 0.00 C ATOM 139 O ALA A 9 8.453 -6.967 -7.686 1.00 0.00 O ATOM 140 CB ALA A 9 9.267 -7.109 -4.424 1.00 0.00 C ATOM 0 H ALA A 9 7.071 -8.055 -3.774 1.00 0.00 H new ATOM 0 HA ALA A 9 7.814 -5.979 -5.497 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.120 -6.649 -4.922 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.064 -6.582 -3.492 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.492 -8.154 -4.209 1.00 0.00 H new ATOM 146 N ALA A 10 8.476 -8.988 -6.702 1.00 0.00 N ATOM 147 CA ALA A 10 8.746 -9.699 -7.941 1.00 0.00 C ATOM 148 C ALA A 10 7.756 -9.266 -9.008 1.00 0.00 C ATOM 149 O ALA A 10 8.109 -9.110 -10.179 1.00 0.00 O ATOM 150 CB ALA A 10 8.674 -11.202 -7.721 1.00 0.00 C ATOM 0 H ALA A 10 8.397 -9.585 -5.879 1.00 0.00 H new ATOM 0 HA ALA A 10 9.754 -9.455 -8.276 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.879 -11.717 -8.659 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.413 -11.497 -6.976 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.678 -11.471 -7.369 1.00 0.00 H new ATOM 156 N ALA A 11 6.512 -9.053 -8.588 1.00 0.00 N ATOM 157 CA ALA A 11 5.473 -8.616 -9.504 1.00 0.00 C ATOM 158 C ALA A 11 5.760 -7.215 -9.994 1.00 0.00 C ATOM 159 O ALA A 11 5.541 -6.885 -11.158 1.00 0.00 O ATOM 160 CB ALA A 11 4.104 -8.696 -8.845 1.00 0.00 C ATOM 0 H ALA A 11 6.204 -9.176 -7.623 1.00 0.00 H new ATOM 0 HA ALA A 11 5.467 -9.284 -10.366 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.341 -8.364 -9.549 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.902 -9.726 -8.550 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.087 -8.056 -7.963 1.00 0.00 H new ATOM 166 N MET A 12 6.262 -6.408 -9.088 1.00 0.00 N ATOM 167 CA MET A 12 6.611 -5.022 -9.396 1.00 0.00 C ATOM 168 C MET A 12 7.625 -4.973 -10.527 1.00 0.00 C ATOM 169 O MET A 12 7.430 -4.274 -11.522 1.00 0.00 O ATOM 170 CB MET A 12 7.196 -4.320 -8.173 1.00 0.00 C ATOM 171 CG MET A 12 6.412 -4.548 -6.898 1.00 0.00 C ATOM 172 SD MET A 12 5.020 -3.418 -6.728 1.00 0.00 S ATOM 173 CE MET A 12 5.833 -1.857 -7.036 1.00 0.00 C ATOM 0 H MET A 12 6.442 -6.681 -8.122 1.00 0.00 H new ATOM 0 HA MET A 12 5.698 -4.509 -9.697 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.220 -4.664 -8.024 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.245 -3.249 -8.370 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.046 -5.575 -6.880 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.076 -4.431 -6.042 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.154 -1.039 -6.795 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.725 -1.783 -6.414 1.00 0.00 H new ATOM 0 HE3 MET A 12 6.117 -1.796 -8.087 1.00 0.00 H new ATOM 183 N LYS A 13 8.709 -5.727 -10.364 1.00 0.00 N ATOM 184 CA LYS A 13 9.759 -5.780 -11.371 1.00 0.00 C ATOM 185 C LYS A 13 9.158 -6.112 -12.725 1.00 0.00 C ATOM 186 O LYS A 13 9.493 -5.496 -13.737 1.00 0.00 O ATOM 187 CB LYS A 13 10.812 -6.824 -10.990 1.00 0.00 C ATOM 188 CG LYS A 13 12.061 -6.768 -11.855 1.00 0.00 C ATOM 189 CD LYS A 13 13.088 -5.802 -11.286 1.00 0.00 C ATOM 190 CE LYS A 13 14.419 -5.913 -12.013 1.00 0.00 C ATOM 191 NZ LYS A 13 14.342 -5.372 -13.397 1.00 0.00 N ATOM 0 H LYS A 13 8.881 -6.309 -9.544 1.00 0.00 H new ATOM 0 HA LYS A 13 10.243 -4.805 -11.426 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.095 -6.680 -9.947 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.371 -7.818 -11.066 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.498 -7.764 -11.930 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.792 -6.461 -12.866 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.713 -4.782 -11.365 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.233 -6.007 -10.225 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.184 -5.374 -11.454 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.727 -6.958 -12.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.269 -5.466 -13.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.630 -5.903 -13.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.073 -4.368 -13.363 1.00 0.00 H new ATOM 205 N ARG A 14 8.259 -7.089 -12.733 1.00 0.00 N ATOM 206 CA ARG A 14 7.599 -7.502 -13.959 1.00 0.00 C ATOM 207 C ARG A 14 6.754 -6.359 -14.497 1.00 0.00 C ATOM 208 O ARG A 14 6.697 -6.130 -15.705 1.00 0.00 O ATOM 209 CB ARG A 14 6.723 -8.731 -13.710 1.00 0.00 C ATOM 210 CG ARG A 14 6.867 -9.805 -14.775 1.00 0.00 C ATOM 211 CD ARG A 14 6.229 -11.113 -14.337 1.00 0.00 C ATOM 212 NE ARG A 14 5.753 -11.899 -15.473 1.00 0.00 N ATOM 213 CZ ARG A 14 4.850 -12.870 -15.372 1.00 0.00 C ATOM 214 NH1 ARG A 14 4.328 -13.176 -14.192 1.00 0.00 N ATOM 215 NH2 ARG A 14 4.470 -13.537 -16.453 1.00 0.00 N ATOM 0 H ARG A 14 7.972 -7.608 -11.903 1.00 0.00 H new ATOM 0 HA ARG A 14 8.359 -7.765 -14.695 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.976 -9.157 -12.739 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.680 -8.419 -13.659 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.403 -9.465 -15.701 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.923 -9.968 -14.988 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.954 -11.698 -13.770 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.395 -10.903 -13.667 1.00 0.00 H new ATOM 0 HE ARG A 14 6.135 -11.691 -16.396 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.619 -12.666 -13.358 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.636 -13.921 -14.118 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.870 -13.305 -17.362 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.777 -14.282 -16.375 1.00 0.00 H new ATOM 229 N HIS A 15 6.075 -5.662 -13.592 1.00 0.00 N ATOM 230 CA HIS A 15 5.203 -4.562 -13.967 1.00 0.00 C ATOM 231 C HIS A 15 5.992 -3.306 -14.312 1.00 0.00 C ATOM 232 O HIS A 15 5.414 -2.319 -14.767 1.00 0.00 O ATOM 233 CB HIS A 15 4.235 -4.261 -12.825 1.00 0.00 C ATOM 234 CG HIS A 15 3.132 -5.265 -12.686 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.104 -5.129 -11.776 1.00 0.00 N ATOM 236 CD2 HIS A 15 2.896 -6.425 -13.344 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.287 -6.161 -11.879 1.00 0.00 C ATOM 238 NE2 HIS A 15 1.744 -6.961 -12.824 1.00 0.00 N ATOM 0 H HIS A 15 6.114 -5.843 -12.589 1.00 0.00 H new ATOM 0 HA HIS A 15 4.650 -4.864 -14.857 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.793 -4.217 -11.890 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.798 -3.275 -12.982 1.00 0.00 H new ATOM 0 HD2 HIS A 15 3.501 -6.849 -14.131 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.396 -6.323 -11.290 1.00 0.00 H new ATOM 0 HE2 HIS A 15 1.311 -7.836 -13.120 1.00 0.00 H new ATOM 247 N GLY A 16 7.313 -3.347 -14.148 1.00 0.00 N ATOM 248 CA GLY A 16 8.132 -2.206 -14.508 1.00 0.00 C ATOM 249 C GLY A 16 8.135 -1.068 -13.507 1.00 0.00 C ATOM 250 O GLY A 16 8.400 0.071 -13.891 1.00 0.00 O ATOM 0 H GLY A 16 7.826 -4.146 -13.775 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.158 -2.546 -14.649 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.789 -1.822 -15.469 1.00 0.00 H new ATOM 254 N LEU A 17 7.852 -1.329 -12.229 1.00 0.00 N ATOM 255 CA LEU A 17 7.853 -0.242 -11.260 1.00 0.00 C ATOM 256 C LEU A 17 9.264 0.040 -10.782 1.00 0.00 C ATOM 257 O LEU A 17 9.523 1.031 -10.105 1.00 0.00 O ATOM 258 CB LEU A 17 6.929 -0.535 -10.075 1.00 0.00 C ATOM 259 CG LEU A 17 5.590 -1.214 -10.406 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.483 -0.662 -9.522 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.207 -1.038 -11.871 1.00 0.00 C ATOM 0 H LEU A 17 7.627 -2.251 -11.854 1.00 0.00 H new ATOM 0 HA LEU A 17 7.467 0.646 -11.761 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.468 -1.167 -9.369 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.719 0.405 -9.565 1.00 0.00 H new ATOM 0 HG LEU A 17 5.716 -2.280 -10.216 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.542 -1.153 -9.769 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.726 -0.848 -8.476 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.387 0.411 -9.687 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.255 -1.533 -12.060 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.115 0.024 -12.098 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.977 -1.479 -12.504 1.00 0.00 H new ATOM 273 N ASP A 18 10.175 -0.827 -11.171 1.00 0.00 N ATOM 274 CA ASP A 18 11.581 -0.671 -10.816 1.00 0.00 C ATOM 275 C ASP A 18 12.205 0.410 -11.688 1.00 0.00 C ATOM 276 O ASP A 18 12.626 0.144 -12.815 1.00 0.00 O ATOM 277 CB ASP A 18 12.332 -1.995 -10.979 1.00 0.00 C ATOM 278 CG ASP A 18 13.833 -1.804 -11.071 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.438 -1.359 -10.072 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.405 -2.100 -12.141 1.00 0.00 O ATOM 0 H ASP A 18 9.972 -1.652 -11.735 1.00 0.00 H new ATOM 0 HA ASP A 18 11.653 -0.374 -9.770 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.103 -2.645 -10.135 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.978 -2.502 -11.877 1.00 0.00 H new ATOM 285 N ASN A 19 12.209 1.639 -11.167 1.00 0.00 N ATOM 286 CA ASN A 19 12.726 2.806 -11.887 1.00 0.00 C ATOM 287 C ASN A 19 11.635 3.365 -12.796 1.00 0.00 C ATOM 288 O ASN A 19 11.893 3.763 -13.933 1.00 0.00 O ATOM 289 CB ASN A 19 13.979 2.460 -12.699 1.00 0.00 C ATOM 290 CG ASN A 19 14.909 3.647 -12.860 1.00 0.00 C ATOM 291 OD1 ASN A 19 14.659 4.543 -13.666 1.00 0.00 O ATOM 292 ND2 ASN A 19 15.991 3.659 -12.090 1.00 0.00 N ATOM 0 H ASN A 19 11.854 1.854 -10.235 1.00 0.00 H new ATOM 0 HA ASN A 19 13.014 3.562 -11.156 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.514 1.647 -12.208 1.00 0.00 H new ATOM 0 HB3 ASN A 19 13.682 2.098 -13.683 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.654 4.432 -12.153 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.159 2.895 -11.435 1.00 0.00 H new ATOM 299 N TYR A 20 10.408 3.369 -12.277 1.00 0.00 N ATOM 300 CA TYR A 20 9.249 3.856 -13.027 1.00 0.00 C ATOM 301 C TYR A 20 9.015 5.332 -12.753 1.00 0.00 C ATOM 302 O TYR A 20 8.899 5.744 -11.600 1.00 0.00 O ATOM 303 CB TYR A 20 8.001 3.051 -12.677 1.00 0.00 C ATOM 304 CG TYR A 20 6.877 3.226 -13.674 1.00 0.00 C ATOM 305 CD1 TYR A 20 6.831 2.470 -14.838 1.00 0.00 C ATOM 306 CD2 TYR A 20 5.864 4.151 -13.453 1.00 0.00 C ATOM 307 CE1 TYR A 20 5.808 2.630 -15.753 1.00 0.00 C ATOM 308 CE2 TYR A 20 4.838 4.316 -14.362 1.00 0.00 C ATOM 309 CZ TYR A 20 4.815 3.554 -15.511 1.00 0.00 C ATOM 310 OH TYR A 20 3.793 3.716 -16.419 1.00 0.00 O ATOM 0 H TYR A 20 10.190 3.039 -11.337 1.00 0.00 H new ATOM 0 HA TYR A 20 9.457 3.728 -14.089 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.263 1.995 -12.617 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.650 3.349 -11.689 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.608 1.745 -15.031 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.879 4.751 -12.555 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.787 2.034 -16.653 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.057 5.038 -14.174 1.00 0.00 H new ATOM 0 HH TYR A 20 3.326 4.559 -16.239 1.00 0.00 H new ATOM 320 N ARG A 21 8.976 6.129 -13.817 1.00 0.00 N ATOM 321 CA ARG A 21 8.796 7.565 -13.677 1.00 0.00 C ATOM 322 C ARG A 21 9.949 8.113 -12.854 1.00 0.00 C ATOM 323 O ARG A 21 9.883 9.203 -12.288 1.00 0.00 O ATOM 324 CB ARG A 21 7.458 7.892 -13.015 1.00 0.00 C ATOM 325 CG ARG A 21 6.646 8.927 -13.776 1.00 0.00 C ATOM 326 CD ARG A 21 7.252 10.316 -13.645 1.00 0.00 C ATOM 327 NE ARG A 21 6.303 11.364 -14.015 1.00 0.00 N ATOM 328 CZ ARG A 21 6.660 12.611 -14.309 1.00 0.00 C ATOM 329 NH1 ARG A 21 7.939 12.964 -14.275 1.00 0.00 N ATOM 330 NH2 ARG A 21 5.738 13.506 -14.636 1.00 0.00 N ATOM 0 H ARG A 21 9.066 5.804 -14.780 1.00 0.00 H new ATOM 0 HA ARG A 21 8.788 8.028 -14.664 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.873 6.977 -12.924 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.640 8.256 -12.004 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.595 8.649 -14.829 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.623 8.938 -13.399 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.582 10.472 -12.618 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.136 10.387 -14.279 1.00 0.00 H new ATOM 0 HE ARG A 21 5.312 11.126 -14.050 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.651 12.278 -14.023 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.210 13.921 -14.501 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.754 13.238 -14.662 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.013 14.462 -14.861 1.00 0.00 H new ATOM 344 N GLY A 22 11.012 7.318 -12.812 1.00 0.00 N ATOM 345 CA GLY A 22 12.203 7.684 -12.082 1.00 0.00 C ATOM 346 C GLY A 22 12.236 7.134 -10.668 1.00 0.00 C ATOM 347 O GLY A 22 13.139 7.473 -9.902 1.00 0.00 O ATOM 0 H GLY A 22 11.066 6.413 -13.280 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.077 7.324 -12.624 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.277 8.771 -12.043 1.00 0.00 H new ATOM 351 N TYR A 23 11.266 6.291 -10.295 1.00 0.00 N ATOM 352 CA TYR A 23 11.259 5.743 -8.949 1.00 0.00 C ATOM 353 C TYR A 23 11.635 4.271 -8.930 1.00 0.00 C ATOM 354 O TYR A 23 11.049 3.457 -9.638 1.00 0.00 O ATOM 355 CB TYR A 23 9.908 5.979 -8.281 1.00 0.00 C ATOM 356 CG TYR A 23 9.814 7.342 -7.634 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.678 7.703 -6.606 1.00 0.00 C ATOM 358 CD2 TYR A 23 8.873 8.273 -8.055 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.605 8.951 -6.017 1.00 0.00 C ATOM 360 CE2 TYR A 23 8.793 9.521 -7.470 1.00 0.00 C ATOM 361 CZ TYR A 23 9.661 9.856 -6.452 1.00 0.00 C ATOM 362 OH TYR A 23 9.584 11.099 -5.868 1.00 0.00 O ATOM 0 H TYR A 23 10.499 5.984 -10.893 1.00 0.00 H new ATOM 0 HA TYR A 23 12.022 6.270 -8.376 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.116 5.877 -9.023 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.739 5.210 -7.527 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.419 6.996 -6.262 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.192 8.016 -8.853 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.284 9.216 -5.220 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.054 10.232 -7.808 1.00 0.00 H new ATOM 0 HH TYR A 23 8.930 11.078 -5.139 1.00 0.00 H new ATOM 372 N SER A 24 12.631 3.947 -8.110 1.00 0.00 N ATOM 373 CA SER A 24 13.113 2.582 -7.984 1.00 0.00 C ATOM 374 C SER A 24 12.158 1.739 -7.153 1.00 0.00 C ATOM 375 O SER A 24 11.351 2.262 -6.386 1.00 0.00 O ATOM 376 CB SER A 24 14.506 2.568 -7.352 1.00 0.00 C ATOM 377 OG SER A 24 14.453 2.962 -5.992 1.00 0.00 O ATOM 0 H SER A 24 13.121 4.620 -7.520 1.00 0.00 H new ATOM 0 HA SER A 24 13.169 2.151 -8.984 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.933 1.568 -7.428 1.00 0.00 H new ATOM 0 HB3 SER A 24 15.165 3.239 -7.903 1.00 0.00 H new ATOM 0 HG SER A 24 13.696 3.569 -5.857 1.00 0.00 H new ATOM 383 N LEU A 25 12.266 0.430 -7.325 1.00 0.00 N ATOM 384 CA LEU A 25 11.431 -0.533 -6.619 1.00 0.00 C ATOM 385 C LEU A 25 11.222 -0.162 -5.150 1.00 0.00 C ATOM 386 O LEU A 25 10.087 -0.069 -4.685 1.00 0.00 O ATOM 387 CB LEU A 25 12.071 -1.916 -6.717 1.00 0.00 C ATOM 388 CG LEU A 25 11.412 -2.858 -7.718 1.00 0.00 C ATOM 389 CD1 LEU A 25 12.362 -3.982 -8.097 1.00 0.00 C ATOM 390 CD2 LEU A 25 10.122 -3.417 -7.143 1.00 0.00 C ATOM 0 H LEU A 25 12.939 0.003 -7.962 1.00 0.00 H new ATOM 0 HA LEU A 25 10.449 -0.530 -7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.120 -1.797 -6.988 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.048 -2.382 -5.732 1.00 0.00 H new ATOM 0 HG LEU A 25 11.173 -2.296 -8.621 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.875 -4.645 -8.812 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.262 -3.562 -8.546 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.632 -4.547 -7.205 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.661 -4.088 -7.868 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.340 -3.966 -6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.438 -2.598 -6.921 1.00 0.00 H new ATOM 402 N GLY A 26 12.321 0.018 -4.422 1.00 0.00 N ATOM 403 CA GLY A 26 12.247 0.347 -3.006 1.00 0.00 C ATOM 404 C GLY A 26 11.201 1.397 -2.667 1.00 0.00 C ATOM 405 O GLY A 26 10.520 1.290 -1.648 1.00 0.00 O ATOM 0 H GLY A 26 13.269 -0.059 -4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.030 -0.561 -2.444 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.223 0.702 -2.675 1.00 0.00 H new ATOM 409 N ASN A 27 11.082 2.418 -3.508 1.00 0.00 N ATOM 410 CA ASN A 27 10.118 3.492 -3.270 1.00 0.00 C ATOM 411 C ASN A 27 8.681 2.990 -3.386 1.00 0.00 C ATOM 412 O ASN A 27 7.786 3.469 -2.691 1.00 0.00 O ATOM 413 CB ASN A 27 10.348 4.638 -4.256 1.00 0.00 C ATOM 414 CG ASN A 27 11.705 5.290 -4.078 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.757 4.589 -4.483 1.00 0.00 O flip ATOM 416 ND2 ASN A 27 11.806 6.412 -3.582 1.00 0.00 N flip ATOM 0 H ASN A 27 11.637 2.527 -4.357 1.00 0.00 H new ATOM 0 HA ASN A 27 10.270 3.853 -2.253 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.260 4.260 -5.275 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.568 5.388 -4.126 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.970 6.915 -3.284 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.726 6.839 -3.469 1.00 0.00 H new ATOM 423 N TRP A 28 8.468 2.027 -4.276 1.00 0.00 N ATOM 424 CA TRP A 28 7.144 1.459 -4.500 1.00 0.00 C ATOM 425 C TRP A 28 6.749 0.491 -3.396 1.00 0.00 C ATOM 426 O TRP A 28 5.583 0.435 -3.006 1.00 0.00 O ATOM 427 CB TRP A 28 7.103 0.770 -5.854 1.00 0.00 C ATOM 428 CG TRP A 28 7.490 1.696 -6.953 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.725 1.841 -7.494 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.641 2.628 -7.622 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.707 2.817 -8.456 1.00 0.00 N ATOM 432 CE2 TRP A 28 7.437 3.315 -8.558 1.00 0.00 C ATOM 433 CE3 TRP A 28 5.286 2.947 -7.519 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.927 4.309 -9.389 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.767 3.926 -8.338 1.00 0.00 C ATOM 436 CH2 TRP A 28 5.587 4.604 -9.268 1.00 0.00 C ATOM 0 H TRP A 28 9.201 1.621 -4.858 1.00 0.00 H new ATOM 0 HA TRP A 28 6.421 2.274 -4.487 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.776 -0.088 -5.847 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.099 0.387 -6.037 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.596 1.270 -7.208 1.00 0.00 H new ATOM 0 HE1 TRP A 28 9.510 3.122 -9.006 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.654 2.435 -6.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.555 4.827 -10.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.719 4.179 -8.268 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.154 5.369 -9.896 1.00 0.00 H new ATOM 447 N VAL A 29 7.711 -0.273 -2.889 1.00 0.00 N ATOM 448 CA VAL A 29 7.431 -1.228 -1.830 1.00 0.00 C ATOM 449 C VAL A 29 7.109 -0.515 -0.528 1.00 0.00 C ATOM 450 O VAL A 29 6.110 -0.815 0.121 1.00 0.00 O ATOM 451 CB VAL A 29 8.624 -2.179 -1.609 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.372 -3.101 -0.425 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.907 -2.979 -2.871 1.00 0.00 C ATOM 0 H VAL A 29 8.684 -0.248 -3.194 1.00 0.00 H new ATOM 0 HA VAL A 29 6.565 -1.813 -2.142 1.00 0.00 H new ATOM 0 HB VAL A 29 9.504 -1.577 -1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.228 -3.762 -0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.228 -2.505 0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.479 -3.697 -0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.752 -3.645 -2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.028 -3.568 -3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.144 -2.298 -3.688 1.00 0.00 H new ATOM 463 N CYS A 30 7.963 0.425 -0.145 1.00 0.00 N ATOM 464 CA CYS A 30 7.763 1.174 1.085 1.00 0.00 C ATOM 465 C CYS A 30 6.440 1.934 1.054 1.00 0.00 C ATOM 466 O CYS A 30 5.686 1.917 2.027 1.00 0.00 O ATOM 467 CB CYS A 30 8.920 2.145 1.311 1.00 0.00 C ATOM 468 SG CYS A 30 8.986 2.833 2.995 1.00 0.00 S ATOM 0 H CYS A 30 8.799 0.685 -0.668 1.00 0.00 H new ATOM 0 HA CYS A 30 7.731 0.463 1.911 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.859 1.632 1.102 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.839 2.965 0.597 1.00 0.00 H new ATOM 473 N ALA A 31 6.163 2.605 -0.062 1.00 0.00 N ATOM 474 CA ALA A 31 4.932 3.370 -0.204 1.00 0.00 C ATOM 475 C ALA A 31 3.706 2.472 -0.109 1.00 0.00 C ATOM 476 O ALA A 31 2.748 2.790 0.593 1.00 0.00 O ATOM 477 CB ALA A 31 4.931 4.121 -1.527 1.00 0.00 C ATOM 0 H ALA A 31 6.775 2.633 -0.878 1.00 0.00 H new ATOM 0 HA ALA A 31 4.886 4.087 0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.006 4.689 -1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.781 4.803 -1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.006 3.409 -2.349 1.00 0.00 H new ATOM 483 N ALA A 32 3.743 1.351 -0.820 1.00 0.00 N ATOM 484 CA ALA A 32 2.631 0.407 -0.821 1.00 0.00 C ATOM 485 C ALA A 32 2.453 -0.250 0.544 1.00 0.00 C ATOM 486 O ALA A 32 1.332 -0.378 1.037 1.00 0.00 O ATOM 487 CB ALA A 32 2.842 -0.653 -1.892 1.00 0.00 C ATOM 0 H ALA A 32 4.532 1.073 -1.404 1.00 0.00 H new ATOM 0 HA ALA A 32 1.721 0.964 -1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.005 -1.351 -1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.905 -0.175 -2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.768 -1.193 -1.692 1.00 0.00 H new ATOM 493 N LYS A 33 3.561 -0.673 1.144 1.00 0.00 N ATOM 494 CA LYS A 33 3.533 -1.330 2.446 1.00 0.00 C ATOM 495 C LYS A 33 2.729 -0.530 3.463 1.00 0.00 C ATOM 496 O LYS A 33 1.806 -1.048 4.080 1.00 0.00 O ATOM 497 CB LYS A 33 4.957 -1.534 2.964 1.00 0.00 C ATOM 498 CG LYS A 33 5.033 -2.385 4.223 1.00 0.00 C ATOM 499 CD LYS A 33 6.349 -3.139 4.307 1.00 0.00 C ATOM 500 CE LYS A 33 6.863 -3.205 5.737 1.00 0.00 C ATOM 501 NZ LYS A 33 6.017 -4.086 6.590 1.00 0.00 N ATOM 0 H LYS A 33 4.495 -0.572 0.746 1.00 0.00 H new ATOM 0 HA LYS A 33 3.047 -2.297 2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.555 -2.003 2.182 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.404 -0.561 3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.920 -1.749 5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.205 -3.094 4.235 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.216 -4.149 3.920 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.091 -2.650 3.675 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.888 -3.575 5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.886 -2.201 6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.400 -4.105 7.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.044 -3.719 6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.016 -5.050 6.199 1.00 0.00 H new ATOM 515 N PHE A 34 3.100 0.724 3.660 1.00 0.00 N ATOM 516 CA PHE A 34 2.410 1.560 4.630 1.00 0.00 C ATOM 517 C PHE A 34 1.063 2.045 4.120 1.00 0.00 C ATOM 518 O PHE A 34 0.149 2.288 4.908 1.00 0.00 O ATOM 519 CB PHE A 34 3.280 2.732 5.037 1.00 0.00 C ATOM 520 CG PHE A 34 4.138 2.457 6.238 1.00 0.00 C ATOM 521 CD1 PHE A 34 3.604 2.519 7.516 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.478 2.137 6.090 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.392 2.265 8.623 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.270 1.883 7.194 1.00 0.00 C ATOM 525 CZ PHE A 34 5.725 1.947 8.462 1.00 0.00 C ATOM 0 H PHE A 34 3.867 1.183 3.168 1.00 0.00 H new ATOM 0 HA PHE A 34 2.216 0.942 5.506 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.921 3.006 4.199 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.643 3.591 5.246 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.562 2.768 7.648 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.909 2.085 5.101 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.964 2.315 9.613 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.313 1.635 7.066 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.342 1.748 9.326 1.00 0.00 H new ATOM 535 N GLU A 35 0.940 2.194 2.812 1.00 0.00 N ATOM 536 CA GLU A 35 -0.303 2.660 2.217 1.00 0.00 C ATOM 537 C GLU A 35 -1.453 1.694 2.476 1.00 0.00 C ATOM 538 O GLU A 35 -2.513 2.090 2.960 1.00 0.00 O ATOM 539 CB GLU A 35 -0.118 2.827 0.708 1.00 0.00 C ATOM 540 CG GLU A 35 0.042 4.270 0.265 1.00 0.00 C ATOM 541 CD GLU A 35 0.696 4.390 -1.097 1.00 0.00 C ATOM 542 OE1 GLU A 35 0.016 4.112 -2.107 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.887 4.760 -1.154 1.00 0.00 O ATOM 0 H GLU A 35 1.684 2.000 2.142 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.553 3.616 2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.759 2.261 0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.977 2.393 0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.937 4.749 0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.640 4.808 1.000 1.00 0.00 H new ATOM 550 N SER A 36 -1.255 0.439 2.091 1.00 0.00 N ATOM 551 CA SER A 36 -2.303 -0.570 2.221 1.00 0.00 C ATOM 552 C SER A 36 -1.803 -1.868 2.845 1.00 0.00 C ATOM 553 O SER A 36 -2.561 -2.831 2.958 1.00 0.00 O ATOM 554 CB SER A 36 -2.879 -0.873 0.836 1.00 0.00 C ATOM 555 OG SER A 36 -1.861 -1.314 -0.046 1.00 0.00 O ATOM 0 H SER A 36 -0.383 0.095 1.688 1.00 0.00 H new ATOM 0 HA SER A 36 -3.064 -0.162 2.886 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.652 -1.637 0.918 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.355 0.020 0.432 1.00 0.00 H new ATOM 0 HG SER A 36 -1.543 -0.558 -0.582 1.00 0.00 H new ATOM 561 N ASN A 37 -0.534 -1.909 3.228 1.00 0.00 N ATOM 562 CA ASN A 37 0.035 -3.120 3.809 1.00 0.00 C ATOM 563 C ASN A 37 -0.049 -4.254 2.797 1.00 0.00 C ATOM 564 O ASN A 37 -0.087 -5.423 3.161 1.00 0.00 O ATOM 565 CB ASN A 37 -0.698 -3.501 5.098 1.00 0.00 C ATOM 566 CG ASN A 37 -0.250 -2.670 6.284 1.00 0.00 C ATOM 567 OD1 ASN A 37 0.943 -2.532 6.545 1.00 0.00 O ATOM 568 ND2 ASN A 37 -1.212 -2.112 7.011 1.00 0.00 N ATOM 0 H ASN A 37 0.116 -1.127 3.149 1.00 0.00 H new ATOM 0 HA ASN A 37 1.080 -2.935 4.059 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.771 -3.375 4.954 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.527 -4.556 5.312 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.973 -1.542 7.823 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.190 -2.253 6.758 1.00 0.00 H new ATOM 575 N PHE A 38 -0.063 -3.869 1.522 1.00 0.00 N ATOM 576 CA PHE A 38 -0.133 -4.786 0.395 1.00 0.00 C ATOM 577 C PHE A 38 -1.491 -5.464 0.315 1.00 0.00 C ATOM 578 O PHE A 38 -1.632 -6.515 -0.301 1.00 0.00 O ATOM 579 CB PHE A 38 1.003 -5.810 0.452 1.00 0.00 C ATOM 580 CG PHE A 38 2.358 -5.163 0.494 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.790 -4.373 -0.560 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.190 -5.328 1.589 1.00 0.00 C ATOM 583 CE1 PHE A 38 4.028 -3.762 -0.524 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.430 -4.721 1.628 1.00 0.00 C ATOM 585 CZ PHE A 38 4.850 -3.937 0.572 1.00 0.00 C ATOM 0 H PHE A 38 -0.025 -2.889 1.242 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.009 -4.203 -0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.877 -6.439 1.333 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.943 -6.464 -0.418 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.151 -4.234 -1.419 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.866 -5.937 2.420 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.353 -3.148 -1.351 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.072 -4.860 2.485 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.819 -3.462 0.603 1.00 0.00 H new ATOM 595 N ASN A 39 -2.500 -4.840 0.912 1.00 0.00 N ATOM 596 CA ASN A 39 -3.849 -5.385 0.875 1.00 0.00 C ATOM 597 C ASN A 39 -4.505 -5.031 -0.450 1.00 0.00 C ATOM 598 O ASN A 39 -4.736 -3.860 -0.753 1.00 0.00 O ATOM 599 CB ASN A 39 -4.676 -4.864 2.050 1.00 0.00 C ATOM 600 CG ASN A 39 -6.070 -5.462 2.089 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.360 -6.438 1.397 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.941 -4.877 2.903 1.00 0.00 N ATOM 0 H ASN A 39 -2.409 -3.962 1.424 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.797 -6.470 0.964 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.160 -5.092 2.983 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.751 -3.779 1.984 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.894 -5.235 2.973 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.657 -4.070 3.458 1.00 0.00 H new ATOM 609 N THR A 40 -4.762 -6.052 -1.249 1.00 0.00 N ATOM 610 CA THR A 40 -5.344 -5.874 -2.567 1.00 0.00 C ATOM 611 C THR A 40 -6.735 -5.292 -2.451 1.00 0.00 C ATOM 612 O THR A 40 -7.301 -4.784 -3.419 1.00 0.00 O ATOM 613 CB THR A 40 -5.419 -7.214 -3.324 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.687 -7.838 -3.095 1.00 0.00 O ATOM 615 CG2 THR A 40 -4.315 -8.156 -2.874 1.00 0.00 C ATOM 0 H THR A 40 -4.574 -7.024 -1.003 1.00 0.00 H new ATOM 0 HA THR A 40 -4.704 -5.189 -3.123 1.00 0.00 H new ATOM 0 HB THR A 40 -5.295 -7.005 -4.387 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.340 -7.499 -3.742 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.391 -9.094 -3.424 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.345 -7.699 -3.068 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.416 -8.352 -1.807 1.00 0.00 H new ATOM 623 N GLN A 41 -7.287 -5.406 -1.259 1.00 0.00 N ATOM 624 CA GLN A 41 -8.626 -4.936 -0.979 1.00 0.00 C ATOM 625 C GLN A 41 -8.638 -3.763 0.005 1.00 0.00 C ATOM 626 O GLN A 41 -9.705 -3.311 0.423 1.00 0.00 O ATOM 627 CB GLN A 41 -9.422 -6.102 -0.412 1.00 0.00 C ATOM 628 CG GLN A 41 -10.190 -6.891 -1.461 1.00 0.00 C ATOM 629 CD GLN A 41 -11.651 -6.495 -1.532 1.00 0.00 C ATOM 630 OE1 GLN A 41 -12.346 -6.455 -0.517 1.00 0.00 O ATOM 631 NE2 GLN A 41 -12.128 -6.202 -2.737 1.00 0.00 N ATOM 0 H GLN A 41 -6.818 -5.828 -0.458 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.070 -4.570 -1.904 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.741 -6.775 0.109 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.125 -5.723 0.330 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.728 -6.738 -2.436 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.116 -7.955 -1.237 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.517 -6.248 -3.552 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.105 -5.931 -2.847 1.00 0.00 H new ATOM 640 N ALA A 42 -7.459 -3.288 0.390 1.00 0.00 N ATOM 641 CA ALA A 42 -7.350 -2.187 1.346 1.00 0.00 C ATOM 642 C ALA A 42 -8.001 -0.902 0.850 1.00 0.00 C ATOM 643 O ALA A 42 -7.666 -0.384 -0.221 1.00 0.00 O ATOM 644 CB ALA A 42 -5.896 -1.917 1.680 1.00 0.00 C ATOM 0 H ALA A 42 -6.564 -3.646 0.056 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.888 -2.503 2.240 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.833 -1.095 2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.451 -2.811 2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.357 -1.651 0.771 1.00 0.00 H new ATOM 650 N THR A 43 -8.914 -0.380 1.664 1.00 0.00 N ATOM 651 CA THR A 43 -9.612 0.862 1.366 1.00 0.00 C ATOM 652 C THR A 43 -9.366 1.863 2.493 1.00 0.00 C ATOM 653 O THR A 43 -9.504 1.521 3.668 1.00 0.00 O ATOM 654 CB THR A 43 -11.130 0.635 1.219 1.00 0.00 C ATOM 655 OG1 THR A 43 -11.773 0.773 2.491 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.420 -0.744 0.647 1.00 0.00 C ATOM 0 H THR A 43 -9.189 -0.808 2.548 1.00 0.00 H new ATOM 0 HA THR A 43 -9.228 1.247 0.421 1.00 0.00 H new ATOM 0 HB THR A 43 -11.520 1.385 0.531 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.104 0.710 3.204 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.497 -0.880 0.553 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.956 -0.836 -0.335 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.015 -1.506 1.312 1.00 0.00 H new ATOM 664 N ASN A 44 -8.991 3.092 2.148 1.00 0.00 N ATOM 665 CA ASN A 44 -8.720 4.109 3.162 1.00 0.00 C ATOM 666 C ASN A 44 -9.547 5.368 2.920 1.00 0.00 C ATOM 667 O ASN A 44 -9.269 6.138 2.001 1.00 0.00 O ATOM 668 CB ASN A 44 -7.232 4.459 3.177 1.00 0.00 C ATOM 669 CG ASN A 44 -6.356 3.248 3.425 1.00 0.00 C ATOM 670 OD1 ASN A 44 -5.993 2.550 2.356 1.00 0.00 O flip ATOM 671 ND2 ASN A 44 -6.008 2.943 4.567 1.00 0.00 N flip ATOM 0 H ASN A 44 -8.869 3.406 1.185 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.003 3.697 4.131 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.959 4.913 2.224 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.045 5.204 3.950 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.310 3.508 5.360 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.417 2.125 4.719 1.00 0.00 H new ATOM 678 N ARG A 45 -10.561 5.572 3.756 1.00 0.00 N ATOM 679 CA ARG A 45 -11.429 6.739 3.638 1.00 0.00 C ATOM 680 C ARG A 45 -10.812 7.950 4.329 1.00 0.00 C ATOM 681 O ARG A 45 -10.502 7.906 5.520 1.00 0.00 O ATOM 682 CB ARG A 45 -12.804 6.440 4.237 1.00 0.00 C ATOM 683 CG ARG A 45 -13.956 6.701 3.281 1.00 0.00 C ATOM 684 CD ARG A 45 -14.606 5.405 2.825 1.00 0.00 C ATOM 685 NE ARG A 45 -16.061 5.454 2.938 1.00 0.00 N ATOM 686 CZ ARG A 45 -16.880 5.549 1.895 1.00 0.00 C ATOM 687 NH1 ARG A 45 -16.388 5.605 0.665 1.00 0.00 N ATOM 688 NH2 ARG A 45 -18.192 5.587 2.081 1.00 0.00 N ATOM 0 H ARG A 45 -10.802 4.944 4.523 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.544 6.969 2.579 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.834 5.397 4.552 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.941 7.048 5.132 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.700 7.330 3.769 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -13.593 7.252 2.414 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -14.329 5.205 1.790 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -14.224 4.578 3.423 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.473 5.413 3.870 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -15.379 5.575 0.517 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -17.018 5.678 -0.134 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -18.575 5.543 3.025 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -18.819 5.660 1.280 1.00 0.00 H new ATOM 702 N ASN A 46 -10.637 9.030 3.574 1.00 0.00 N ATOM 703 CA ASN A 46 -10.059 10.255 4.112 1.00 0.00 C ATOM 704 C ASN A 46 -11.142 11.288 4.401 1.00 0.00 C ATOM 705 O ASN A 46 -12.317 11.073 4.101 1.00 0.00 O ATOM 706 CB ASN A 46 -9.034 10.834 3.136 1.00 0.00 C ATOM 707 CG ASN A 46 -8.251 9.758 2.412 1.00 0.00 C ATOM 708 OD1 ASN A 46 -7.716 8.839 3.033 1.00 0.00 O ATOM 709 ND2 ASN A 46 -8.181 9.864 1.090 1.00 0.00 N ATOM 0 H ASN A 46 -10.888 9.081 2.587 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.559 10.008 5.048 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.546 11.460 2.405 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.343 11.478 3.680 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.669 9.167 0.549 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.639 10.642 0.616 1.00 0.00 H new ATOM 716 N THR A 47 -10.736 12.409 4.985 1.00 0.00 N ATOM 717 CA THR A 47 -11.667 13.480 5.319 1.00 0.00 C ATOM 718 C THR A 47 -11.960 14.356 4.105 1.00 0.00 C ATOM 719 O THR A 47 -12.919 15.128 4.101 1.00 0.00 O ATOM 720 CB THR A 47 -11.121 14.366 6.454 1.00 0.00 C ATOM 721 OG1 THR A 47 -9.825 14.866 6.107 1.00 0.00 O ATOM 722 CG2 THR A 47 -11.036 13.585 7.757 1.00 0.00 C ATOM 0 H THR A 47 -9.766 12.600 5.237 1.00 0.00 H new ATOM 0 HA THR A 47 -12.589 13.002 5.650 1.00 0.00 H new ATOM 0 HB THR A 47 -11.807 15.202 6.593 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.486 15.430 6.834 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.648 14.231 8.544 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.029 13.231 8.035 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.370 12.732 7.627 1.00 0.00 H new ATOM 730 N ASP A 48 -11.128 14.230 3.075 1.00 0.00 N ATOM 731 CA ASP A 48 -11.299 15.008 1.854 1.00 0.00 C ATOM 732 C ASP A 48 -12.460 14.473 1.022 1.00 0.00 C ATOM 733 O ASP A 48 -12.848 15.073 0.020 1.00 0.00 O ATOM 734 CB ASP A 48 -10.012 14.992 1.029 1.00 0.00 C ATOM 735 CG ASP A 48 -9.463 13.591 0.837 1.00 0.00 C ATOM 736 OD1 ASP A 48 -10.252 12.627 0.926 1.00 0.00 O ATOM 737 OD2 ASP A 48 -8.245 13.459 0.597 1.00 0.00 O ATOM 0 H ASP A 48 -10.329 13.596 3.063 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.526 16.035 2.138 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.203 15.441 0.054 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.261 15.609 1.522 1.00 0.00 H new ATOM 742 N GLY A 49 -13.011 13.339 1.447 1.00 0.00 N ATOM 743 CA GLY A 49 -14.124 12.741 0.732 1.00 0.00 C ATOM 744 C GLY A 49 -13.703 11.565 -0.127 1.00 0.00 C ATOM 745 O GLY A 49 -14.471 10.621 -0.317 1.00 0.00 O ATOM 0 H GLY A 49 -12.706 12.824 2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.876 12.411 1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.594 13.496 0.102 1.00 0.00 H new ATOM 749 N SER A 50 -12.480 11.619 -0.647 1.00 0.00 N ATOM 750 CA SER A 50 -11.964 10.546 -1.490 1.00 0.00 C ATOM 751 C SER A 50 -11.561 9.339 -0.652 1.00 0.00 C ATOM 752 O SER A 50 -11.666 9.356 0.574 1.00 0.00 O ATOM 753 CB SER A 50 -10.771 11.034 -2.314 1.00 0.00 C ATOM 754 OG SER A 50 -10.063 12.058 -1.636 1.00 0.00 O ATOM 0 H SER A 50 -11.830 12.391 -0.500 1.00 0.00 H new ATOM 0 HA SER A 50 -12.761 10.243 -2.170 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.101 10.199 -2.518 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.119 11.406 -3.278 1.00 0.00 H new ATOM 0 HG SER A 50 -10.002 11.838 -0.683 1.00 0.00 H new ATOM 760 N THR A 51 -11.109 8.287 -1.327 1.00 0.00 N ATOM 761 CA THR A 51 -10.700 7.063 -0.652 1.00 0.00 C ATOM 762 C THR A 51 -9.483 6.437 -1.327 1.00 0.00 C ATOM 763 O THR A 51 -9.048 6.889 -2.385 1.00 0.00 O ATOM 764 CB THR A 51 -11.846 6.036 -0.630 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.109 6.712 -0.611 1.00 0.00 O ATOM 766 CG2 THR A 51 -11.741 5.123 0.582 1.00 0.00 C ATOM 0 H THR A 51 -11.017 8.259 -2.342 1.00 0.00 H new ATOM 0 HA THR A 51 -10.439 7.335 0.371 1.00 0.00 H new ATOM 0 HB THR A 51 -11.769 5.426 -1.530 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.829 6.063 -0.754 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.564 4.408 0.571 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.793 4.586 0.552 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.791 5.720 1.493 1.00 0.00 H new ATOM 774 N ASP A 52 -8.940 5.394 -0.707 1.00 0.00 N ATOM 775 CA ASP A 52 -7.774 4.698 -1.241 1.00 0.00 C ATOM 776 C ASP A 52 -8.075 3.226 -1.448 1.00 0.00 C ATOM 777 O ASP A 52 -7.804 2.394 -0.582 1.00 0.00 O ATOM 778 CB ASP A 52 -6.581 4.863 -0.297 1.00 0.00 C ATOM 779 CG ASP A 52 -6.230 6.319 -0.058 1.00 0.00 C ATOM 780 OD1 ASP A 52 -5.769 6.982 -1.010 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.416 6.794 1.082 1.00 0.00 O ATOM 0 H ASP A 52 -9.291 5.010 0.171 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.525 5.138 -2.207 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.807 4.385 0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.716 4.347 -0.715 1.00 0.00 H new ATOM 786 N TYR A 53 -8.637 2.909 -2.608 1.00 0.00 N ATOM 787 CA TYR A 53 -8.973 1.534 -2.931 1.00 0.00 C ATOM 788 C TYR A 53 -7.893 0.894 -3.790 1.00 0.00 C ATOM 789 O TYR A 53 -8.015 0.846 -5.011 1.00 0.00 O ATOM 790 CB TYR A 53 -10.307 1.455 -3.679 1.00 0.00 C ATOM 791 CG TYR A 53 -11.474 2.111 -2.973 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.045 1.532 -1.849 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.015 3.298 -3.446 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.121 2.120 -1.212 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.093 3.891 -2.818 1.00 0.00 C ATOM 796 CZ TYR A 53 -13.642 3.299 -1.700 1.00 0.00 C ATOM 797 OH TYR A 53 -14.715 3.886 -1.071 1.00 0.00 O ATOM 0 H TYR A 53 -8.868 3.585 -3.336 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.053 0.995 -1.987 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.186 1.919 -4.658 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.549 0.406 -3.851 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.642 0.606 -1.466 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.586 3.766 -4.320 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.552 1.658 -0.336 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.504 4.814 -3.201 1.00 0.00 H new ATOM 0 HH TYR A 53 -14.692 3.671 -0.115 1.00 0.00 H new ATOM 807 N GLY A 54 -6.819 0.425 -3.175 1.00 0.00 N ATOM 808 CA GLY A 54 -5.759 -0.193 -3.954 1.00 0.00 C ATOM 809 C GLY A 54 -4.495 -0.403 -3.151 1.00 0.00 C ATOM 810 O GLY A 54 -4.318 0.211 -2.098 1.00 0.00 O ATOM 0 H GLY A 54 -6.660 0.458 -2.168 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.106 -1.153 -4.336 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.536 0.432 -4.818 1.00 0.00 H new ATOM 814 N ILE A 55 -3.596 -1.245 -3.656 1.00 0.00 N ATOM 815 CA ILE A 55 -2.335 -1.484 -2.973 1.00 0.00 C ATOM 816 C ILE A 55 -1.516 -0.203 -3.021 1.00 0.00 C ATOM 817 O ILE A 55 -0.737 0.096 -2.115 1.00 0.00 O ATOM 818 CB ILE A 55 -1.535 -2.643 -3.608 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.347 -3.019 -2.721 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.060 -2.258 -4.998 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.259 -4.363 -3.059 1.00 0.00 C ATOM 0 H ILE A 55 -3.718 -1.765 -4.525 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.548 -1.773 -1.944 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.189 -3.510 -3.695 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.421 -2.251 -2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.670 -3.027 -1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.498 -3.085 -5.432 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.921 -2.034 -5.628 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.420 -1.378 -4.933 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.096 -4.563 -2.390 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.494 -5.142 -2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.613 -4.354 -4.090 1.00 0.00 H new ATOM 833 N LEU A 56 -1.745 0.572 -4.081 1.00 0.00 N ATOM 834 CA LEU A 56 -1.086 1.855 -4.259 1.00 0.00 C ATOM 835 C LEU A 56 -2.089 2.967 -3.965 1.00 0.00 C ATOM 836 O LEU A 56 -1.822 4.139 -4.221 1.00 0.00 O ATOM 837 CB LEU A 56 -0.523 2.009 -5.687 1.00 0.00 C ATOM 838 CG LEU A 56 1.009 2.174 -5.791 1.00 0.00 C ATOM 839 CD1 LEU A 56 1.551 2.971 -4.614 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.677 0.808 -5.863 1.00 0.00 C ATOM 0 H LEU A 56 -2.389 0.326 -4.833 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.244 1.916 -3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.816 1.135 -6.269 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.995 2.874 -6.152 1.00 0.00 H new ATOM 0 HG LEU A 56 1.235 2.726 -6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.632 3.073 -4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.093 3.960 -4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.317 2.452 -3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.757 0.935 -5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.438 0.239 -4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.314 0.271 -6.740 1.00 0.00 H new ATOM 852 N GLN A 57 -3.248 2.580 -3.410 1.00 0.00 N ATOM 853 CA GLN A 57 -4.311 3.523 -3.054 1.00 0.00 C ATOM 854 C GLN A 57 -4.985 4.125 -4.284 1.00 0.00 C ATOM 855 O GLN A 57 -4.711 5.271 -4.644 1.00 0.00 O ATOM 856 CB GLN A 57 -3.755 4.641 -2.167 1.00 0.00 C ATOM 857 CG GLN A 57 -3.218 4.147 -0.834 1.00 0.00 C ATOM 858 CD GLN A 57 -3.219 5.227 0.231 1.00 0.00 C ATOM 859 OE1 GLN A 57 -2.760 6.345 -0.003 1.00 0.00 O ATOM 860 NE2 GLN A 57 -3.735 4.897 1.409 1.00 0.00 N ATOM 0 H GLN A 57 -3.471 1.608 -3.197 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.067 2.961 -2.505 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.958 5.156 -2.703 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.541 5.374 -1.984 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.821 3.305 -0.493 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.202 3.777 -0.970 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.104 3.958 1.559 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.762 5.582 2.164 1.00 0.00 H new ATOM 869 N ILE A 58 -5.858 3.355 -4.945 1.00 0.00 N ATOM 870 CA ILE A 58 -6.527 3.849 -6.130 1.00 0.00 C ATOM 871 C ILE A 58 -7.797 4.589 -5.762 1.00 0.00 C ATOM 872 O ILE A 58 -8.853 3.983 -5.573 1.00 0.00 O ATOM 873 CB ILE A 58 -6.856 2.710 -7.112 1.00 0.00 C ATOM 874 CG1 ILE A 58 -5.645 1.784 -7.278 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.286 3.276 -8.457 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.340 2.515 -7.514 1.00 0.00 C ATOM 0 H ILE A 58 -6.108 2.403 -4.676 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.841 4.538 -6.623 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.683 2.127 -6.705 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.548 1.166 -6.385 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.828 1.109 -8.114 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.515 2.458 -9.140 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.172 3.896 -8.324 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.479 3.880 -8.872 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.532 1.791 -7.621 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.416 3.111 -8.423 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.131 3.169 -6.668 1.00 0.00 H new ATOM 888 N ASN A 59 -7.686 5.906 -5.666 1.00 0.00 N ATOM 889 CA ASN A 59 -8.823 6.737 -5.331 1.00 0.00 C ATOM 890 C ASN A 59 -9.902 6.566 -6.386 1.00 0.00 C ATOM 891 O ASN A 59 -9.811 7.136 -7.473 1.00 0.00 O ATOM 892 CB ASN A 59 -8.397 8.202 -5.248 1.00 0.00 C ATOM 893 CG ASN A 59 -9.554 9.129 -4.927 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.623 8.685 -4.509 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.345 10.426 -5.120 1.00 0.00 N ATOM 0 H ASN A 59 -6.817 6.418 -5.816 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.217 6.434 -4.361 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.627 8.310 -4.484 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.949 8.501 -6.196 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.086 11.097 -4.920 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.443 10.751 -5.468 1.00 0.00 H new ATOM 902 N SER A 60 -10.923 5.780 -6.071 1.00 0.00 N ATOM 903 CA SER A 60 -12.016 5.543 -7.010 1.00 0.00 C ATOM 904 C SER A 60 -12.821 6.814 -7.276 1.00 0.00 C ATOM 905 O SER A 60 -13.529 6.905 -8.277 1.00 0.00 O ATOM 906 CB SER A 60 -12.944 4.454 -6.470 1.00 0.00 C ATOM 907 OG SER A 60 -13.947 5.005 -5.633 1.00 0.00 O ATOM 0 H SER A 60 -11.019 5.297 -5.178 1.00 0.00 H new ATOM 0 HA SER A 60 -11.574 5.220 -7.953 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.410 3.925 -7.301 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.362 3.721 -5.911 1.00 0.00 H new ATOM 0 HG SER A 60 -13.822 4.682 -4.716 1.00 0.00 H new ATOM 913 N ARG A 61 -12.714 7.793 -6.384 1.00 0.00 N ATOM 914 CA ARG A 61 -13.442 9.047 -6.548 1.00 0.00 C ATOM 915 C ARG A 61 -12.632 10.030 -7.384 1.00 0.00 C ATOM 916 O ARG A 61 -12.861 11.239 -7.338 1.00 0.00 O ATOM 917 CB ARG A 61 -13.762 9.661 -5.183 1.00 0.00 C ATOM 918 CG ARG A 61 -15.031 10.496 -5.174 1.00 0.00 C ATOM 919 CD ARG A 61 -15.003 11.540 -4.068 1.00 0.00 C ATOM 920 NE ARG A 61 -13.866 12.446 -4.200 1.00 0.00 N ATOM 921 CZ ARG A 61 -13.824 13.661 -3.661 1.00 0.00 C ATOM 922 NH1 ARG A 61 -14.853 14.113 -2.955 1.00 0.00 N ATOM 923 NH2 ARG A 61 -12.754 14.426 -3.826 1.00 0.00 N ATOM 0 H ARG A 61 -12.135 7.744 -5.546 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.377 8.834 -7.066 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.858 8.862 -4.448 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.925 10.284 -4.869 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.150 10.989 -6.139 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.895 9.845 -5.040 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.929 12.115 -4.089 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.959 11.041 -3.100 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.058 12.129 -4.736 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.678 13.528 -2.825 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.818 15.045 -2.543 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.960 14.083 -4.367 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.724 15.358 -3.412 1.00 0.00 H new ATOM 937 N TRP A 62 -11.686 9.498 -8.148 1.00 0.00 N ATOM 938 CA TRP A 62 -10.841 10.331 -8.998 1.00 0.00 C ATOM 939 C TRP A 62 -10.145 9.534 -10.106 1.00 0.00 C ATOM 940 O TRP A 62 -9.440 10.117 -10.928 1.00 0.00 O ATOM 941 CB TRP A 62 -9.792 11.051 -8.149 1.00 0.00 C ATOM 942 CG TRP A 62 -9.533 12.458 -8.593 1.00 0.00 C ATOM 943 CD1 TRP A 62 -8.655 12.865 -9.557 1.00 0.00 C ATOM 944 CD2 TRP A 62 -10.157 13.646 -8.091 1.00 0.00 C ATOM 945 NE1 TRP A 62 -8.695 14.233 -9.684 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.609 14.735 -8.795 1.00 0.00 C ATOM 947 CE3 TRP A 62 -11.126 13.893 -7.114 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -9.998 16.049 -8.553 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -11.511 15.199 -6.875 1.00 0.00 C ATOM 950 CH2 TRP A 62 -10.948 16.262 -7.592 1.00 0.00 C ATOM 0 H TRP A 62 -11.484 8.499 -8.197 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.496 11.055 -9.482 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -10.120 11.060 -7.110 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.859 10.489 -8.184 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -8.022 12.208 -10.135 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -8.135 14.785 -10.334 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -11.565 13.079 -6.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -9.565 16.871 -9.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -12.259 15.403 -6.123 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.271 17.271 -7.382 1.00 0.00 H new ATOM 961 N TRP A 63 -10.315 8.210 -10.127 1.00 0.00 N ATOM 962 CA TRP A 63 -9.661 7.391 -11.142 1.00 0.00 C ATOM 963 C TRP A 63 -10.603 6.360 -11.755 1.00 0.00 C ATOM 964 O TRP A 63 -10.898 6.409 -12.948 1.00 0.00 O ATOM 965 CB TRP A 63 -8.442 6.688 -10.537 1.00 0.00 C ATOM 966 CG TRP A 63 -7.351 7.642 -10.164 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.713 7.759 -8.961 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.784 8.630 -11.017 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.773 8.764 -9.026 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.802 9.314 -10.283 1.00 0.00 C ATOM 971 CE3 TRP A 63 -7.019 8.993 -12.336 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -5.053 10.351 -10.836 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -6.288 10.016 -12.886 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.311 10.690 -12.141 1.00 0.00 C ATOM 0 H TRP A 63 -10.891 7.692 -9.463 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.347 8.059 -11.944 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.751 6.132 -9.652 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -8.055 5.961 -11.251 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.916 7.154 -8.090 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.157 9.052 -8.265 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.766 8.478 -12.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.299 10.868 -10.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.469 10.307 -13.910 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.751 11.490 -12.602 1.00 0.00 H new ATOM 985 N CYS A 64 -11.046 5.411 -10.943 1.00 0.00 N ATOM 986 CA CYS A 64 -11.926 4.357 -11.431 1.00 0.00 C ATOM 987 C CYS A 64 -13.393 4.668 -11.191 1.00 0.00 C ATOM 988 O CYS A 64 -13.745 5.462 -10.320 1.00 0.00 O ATOM 989 CB CYS A 64 -11.564 3.010 -10.796 1.00 0.00 C ATOM 990 SG CYS A 64 -12.280 2.738 -9.140 1.00 0.00 S ATOM 0 H CYS A 64 -10.814 5.348 -9.952 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.776 4.299 -12.509 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.896 2.210 -11.457 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.479 2.936 -10.726 1.00 0.00 H new ATOM 995 N ASN A 65 -14.243 4.028 -11.987 1.00 0.00 N ATOM 996 CA ASN A 65 -15.685 4.219 -11.886 1.00 0.00 C ATOM 997 C ASN A 65 -16.332 3.082 -11.101 1.00 0.00 C ATOM 998 O ASN A 65 -16.373 1.942 -11.561 1.00 0.00 O ATOM 999 CB ASN A 65 -16.309 4.309 -13.280 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.819 4.429 -13.231 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -18.539 3.514 -13.630 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -18.308 5.562 -12.742 1.00 0.00 N ATOM 0 H ASN A 65 -13.956 3.370 -12.712 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.864 5.153 -11.354 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.896 5.170 -13.805 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.036 3.424 -13.855 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.317 5.700 -12.686 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.675 6.295 -12.422 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.834 3.402 -9.913 1.00 0.00 N ATOM 1010 CA ASP A 66 -17.478 2.408 -9.062 1.00 0.00 C ATOM 1011 C ASP A 66 -18.998 2.503 -9.165 1.00 0.00 C ATOM 1012 O ASP A 66 -19.717 1.623 -8.693 1.00 0.00 O ATOM 1013 CB ASP A 66 -17.038 2.588 -7.608 1.00 0.00 C ATOM 1014 CG ASP A 66 -17.515 3.900 -7.013 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.764 4.848 -7.787 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -17.635 3.980 -5.773 1.00 0.00 O ATOM 0 H ASP A 66 -16.807 4.342 -9.518 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.172 1.420 -9.406 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.422 1.761 -7.011 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.950 2.542 -7.553 1.00 0.00 H new ATOM 1021 N GLY A 67 -19.478 3.575 -9.787 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.909 3.764 -9.943 1.00 0.00 C ATOM 1023 C GLY A 67 -21.566 4.307 -8.690 1.00 0.00 C ATOM 1024 O GLY A 67 -22.762 4.598 -8.686 1.00 0.00 O ATOM 0 H GLY A 67 -18.902 4.316 -10.186 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.093 4.449 -10.771 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.371 2.813 -10.207 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.786 4.443 -7.622 1.00 0.00 N ATOM 1029 CA ARG A 68 -21.301 4.954 -6.358 1.00 0.00 C ATOM 1030 C ARG A 68 -20.952 6.427 -6.181 1.00 0.00 C ATOM 1031 O ARG A 68 -21.160 7.001 -5.112 1.00 0.00 O ATOM 1032 CB ARG A 68 -20.740 4.141 -5.190 1.00 0.00 C ATOM 1033 CG ARG A 68 -21.511 2.860 -4.913 1.00 0.00 C ATOM 1034 CD ARG A 68 -20.744 1.940 -3.977 1.00 0.00 C ATOM 1035 NE ARG A 68 -21.610 1.350 -2.960 1.00 0.00 N ATOM 1036 CZ ARG A 68 -22.102 0.117 -3.034 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -21.814 -0.654 -4.074 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -22.883 -0.346 -2.068 1.00 0.00 N ATOM 0 H ARG A 68 -19.794 4.206 -7.608 1.00 0.00 H new ATOM 0 HA ARG A 68 -22.387 4.857 -6.372 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.700 3.891 -5.399 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.745 4.759 -4.292 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -22.478 3.104 -4.473 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -21.709 2.343 -5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -20.271 1.146 -4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -19.945 2.500 -3.492 1.00 0.00 H new ATOM 0 HE ARG A 68 -21.851 1.916 -2.146 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -21.214 -0.301 -4.820 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -22.193 -1.600 -4.128 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -23.107 0.244 -1.267 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -23.260 -1.292 -2.126 1.00 0.00 H new ATOM 1052 N THR A 69 -20.420 7.035 -7.237 1.00 0.00 N ATOM 1053 CA THR A 69 -20.042 8.444 -7.198 1.00 0.00 C ATOM 1054 C THR A 69 -20.174 9.088 -8.576 1.00 0.00 C ATOM 1055 O THR A 69 -19.424 8.760 -9.496 1.00 0.00 O ATOM 1056 CB THR A 69 -18.597 8.624 -6.697 1.00 0.00 C ATOM 1057 OG1 THR A 69 -18.261 7.579 -5.776 1.00 0.00 O ATOM 1058 CG2 THR A 69 -18.423 9.976 -6.022 1.00 0.00 C ATOM 0 H THR A 69 -20.241 6.575 -8.129 1.00 0.00 H new ATOM 0 HA THR A 69 -20.724 8.935 -6.503 1.00 0.00 H new ATOM 0 HB THR A 69 -17.930 8.576 -7.558 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.340 7.701 -5.464 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.395 10.080 -5.676 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.649 10.770 -6.734 1.00 0.00 H new ATOM 0 HG23 THR A 69 -19.101 10.048 -5.171 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.131 10.019 -8.738 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.354 10.708 -10.014 1.00 0.00 C ATOM 1068 C PRO A 70 -20.242 11.700 -10.339 1.00 0.00 C ATOM 1069 O PRO A 70 -20.013 12.030 -11.502 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.677 11.442 -9.793 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.747 11.661 -8.322 1.00 0.00 C ATOM 1072 CD PRO A 70 -22.071 10.473 -7.693 1.00 0.00 C ATOM 0 HA PRO A 70 -21.371 10.014 -10.855 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.701 12.387 -10.336 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.522 10.850 -10.146 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -22.247 12.588 -8.041 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.781 11.743 -7.989 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.550 10.747 -6.776 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.788 9.695 -7.432 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.556 12.173 -9.302 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.477 13.123 -9.497 1.00 0.00 C ATOM 1082 C GLY A 71 -17.150 12.446 -9.784 1.00 0.00 C ATOM 1083 O GLY A 71 -16.123 13.110 -9.913 1.00 0.00 O ATOM 0 H GLY A 71 -19.729 11.915 -8.331 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -18.728 13.788 -10.323 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.379 13.744 -8.607 1.00 0.00 H new ATOM 1087 N SER A 72 -17.175 11.119 -9.881 1.00 0.00 N ATOM 1088 CA SER A 72 -15.967 10.349 -10.153 1.00 0.00 C ATOM 1089 C SER A 72 -15.360 10.742 -11.495 1.00 0.00 C ATOM 1090 O SER A 72 -16.025 10.688 -12.530 1.00 0.00 O ATOM 1091 CB SER A 72 -16.281 8.852 -10.141 1.00 0.00 C ATOM 1092 OG SER A 72 -17.178 8.510 -11.183 1.00 0.00 O ATOM 0 H SER A 72 -18.019 10.556 -9.775 1.00 0.00 H new ATOM 0 HA SER A 72 -15.241 10.569 -9.370 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.358 8.283 -10.250 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.714 8.576 -9.179 1.00 0.00 H new ATOM 0 HG SER A 72 -18.096 8.521 -10.841 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.090 11.133 -11.469 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.386 11.532 -12.684 1.00 0.00 C ATOM 1100 C ARG A 73 -13.368 10.389 -13.694 1.00 0.00 C ATOM 1101 O ARG A 73 -13.506 10.607 -14.898 1.00 0.00 O ATOM 1102 CB ARG A 73 -11.954 11.959 -12.354 1.00 0.00 C ATOM 1103 CG ARG A 73 -11.875 13.079 -11.329 1.00 0.00 C ATOM 1104 CD ARG A 73 -12.020 14.443 -11.981 1.00 0.00 C ATOM 1105 NE ARG A 73 -12.432 15.467 -11.024 1.00 0.00 N ATOM 1106 CZ ARG A 73 -13.702 15.786 -10.786 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -14.679 15.163 -11.433 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -13.995 16.728 -9.901 1.00 0.00 N ATOM 0 H ARG A 73 -13.527 11.182 -10.620 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.915 12.378 -13.123 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.403 11.096 -11.980 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.459 12.281 -13.270 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -12.658 12.946 -10.583 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.922 13.026 -10.803 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.071 14.731 -12.434 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.752 14.384 -12.786 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.706 15.965 -10.509 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -14.458 14.437 -12.115 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.651 15.410 -11.248 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.247 17.209 -9.402 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.969 16.972 -9.719 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.205 9.170 -13.187 1.00 0.00 N ATOM 1123 CA ASN A 74 -13.175 7.976 -14.031 1.00 0.00 C ATOM 1124 C ASN A 74 -12.119 8.125 -15.108 1.00 0.00 C ATOM 1125 O ASN A 74 -12.194 7.504 -16.169 1.00 0.00 O ATOM 1126 CB ASN A 74 -14.548 7.732 -14.665 1.00 0.00 C ATOM 1127 CG ASN A 74 -14.654 6.365 -15.308 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.892 5.452 -14.988 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -15.604 6.214 -16.224 1.00 0.00 N ATOM 0 H ASN A 74 -13.091 8.981 -12.191 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.925 7.117 -13.409 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.320 7.832 -13.902 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.740 8.499 -15.415 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.723 5.315 -16.692 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.214 6.997 -16.460 1.00 0.00 H new ATOM 1136 N LEU A 75 -11.121 8.941 -14.807 1.00 0.00 N ATOM 1137 CA LEU A 75 -10.019 9.177 -15.708 1.00 0.00 C ATOM 1138 C LEU A 75 -9.421 7.863 -16.134 1.00 0.00 C ATOM 1139 O LEU A 75 -9.663 7.357 -17.231 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.979 9.985 -14.957 1.00 0.00 C ATOM 1141 CG LEU A 75 -9.139 11.499 -15.088 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -8.029 12.235 -14.355 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -9.180 11.915 -16.553 1.00 0.00 C ATOM 0 H LEU A 75 -11.058 9.456 -13.929 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.358 9.711 -16.596 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.022 9.718 -13.901 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.989 9.704 -15.317 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.087 11.773 -14.626 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.170 13.310 -14.466 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.056 11.973 -13.297 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.064 11.950 -14.775 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.294 12.997 -16.621 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.253 11.617 -17.042 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.022 11.429 -17.046 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.650 7.329 -15.214 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.978 6.064 -15.363 1.00 0.00 C ATOM 1157 C CYS A 76 -8.837 5.065 -16.135 1.00 0.00 C ATOM 1158 O CYS A 76 -8.321 4.205 -16.849 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.713 5.552 -13.967 1.00 0.00 C ATOM 1160 SG CYS A 76 -6.043 4.893 -13.684 1.00 0.00 S ATOM 0 H CYS A 76 -8.470 7.778 -14.316 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.054 6.188 -15.928 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.890 6.363 -13.261 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.437 4.769 -13.741 1.00 0.00 H new ATOM 1165 N ASN A 77 -10.156 5.191 -15.978 1.00 0.00 N ATOM 1166 CA ASN A 77 -11.099 4.307 -16.651 1.00 0.00 C ATOM 1167 C ASN A 77 -10.745 2.858 -16.363 1.00 0.00 C ATOM 1168 O ASN A 77 -10.528 2.063 -17.278 1.00 0.00 O ATOM 1169 CB ASN A 77 -11.094 4.565 -18.159 1.00 0.00 C ATOM 1170 CG ASN A 77 -12.476 4.442 -18.772 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -13.085 5.439 -19.160 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.977 3.216 -18.860 1.00 0.00 N ATOM 0 H ASN A 77 -10.593 5.900 -15.388 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.101 4.509 -16.272 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.701 5.563 -18.353 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.421 3.858 -18.643 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.903 3.071 -19.262 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.436 2.419 -18.525 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.667 2.529 -15.080 1.00 0.00 N ATOM 1180 CA ILE A 78 -10.315 1.184 -14.666 1.00 0.00 C ATOM 1181 C ILE A 78 -11.414 0.545 -13.821 1.00 0.00 C ATOM 1182 O ILE A 78 -12.145 1.238 -13.116 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.992 1.177 -13.872 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -9.254 1.084 -12.357 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -8.193 2.421 -14.212 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -8.329 1.934 -11.509 1.00 0.00 C ATOM 0 H ILE A 78 -10.843 3.177 -14.312 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.193 0.598 -15.577 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.415 0.296 -14.154 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.284 1.381 -12.160 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -9.158 0.043 -12.047 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.258 2.417 -13.652 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.976 2.433 -15.280 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.770 3.307 -13.949 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.583 1.809 -10.456 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.297 1.623 -11.673 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.441 2.982 -11.787 1.00 0.00 H new ATOM 1198 N PRO A 79 -11.531 -0.791 -13.861 1.00 0.00 N ATOM 1199 CA PRO A 79 -12.523 -1.512 -13.072 1.00 0.00 C ATOM 1200 C PRO A 79 -12.115 -1.528 -11.605 1.00 0.00 C ATOM 1201 O PRO A 79 -11.069 -2.071 -11.250 1.00 0.00 O ATOM 1202 CB PRO A 79 -12.510 -2.934 -13.658 1.00 0.00 C ATOM 1203 CG PRO A 79 -11.620 -2.875 -14.861 1.00 0.00 C ATOM 1204 CD PRO A 79 -10.701 -1.707 -14.649 1.00 0.00 C ATOM 0 HA PRO A 79 -13.512 -1.056 -13.115 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -12.135 -3.653 -12.930 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.516 -3.253 -13.932 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -11.054 -3.800 -14.971 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -12.205 -2.749 -15.772 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.795 -1.995 -14.116 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -10.387 -1.261 -15.593 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.925 -0.905 -10.760 1.00 0.00 N ATOM 1213 CA CYS A 80 -12.624 -0.823 -9.336 1.00 0.00 C ATOM 1214 C CYS A 80 -12.568 -2.201 -8.677 1.00 0.00 C ATOM 1215 O CYS A 80 -11.529 -2.599 -8.152 1.00 0.00 O ATOM 1216 CB CYS A 80 -13.653 0.065 -8.637 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.959 1.648 -9.492 1.00 0.00 S ATOM 0 H CYS A 80 -13.795 -0.449 -11.035 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.633 -0.380 -9.232 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.593 -0.480 -8.554 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.313 0.270 -7.622 1.00 0.00 H new ATOM 1222 N SER A 81 -13.686 -2.918 -8.693 1.00 0.00 N ATOM 1223 CA SER A 81 -13.754 -4.243 -8.079 1.00 0.00 C ATOM 1224 C SER A 81 -12.773 -5.223 -8.721 1.00 0.00 C ATOM 1225 O SER A 81 -12.390 -6.216 -8.102 1.00 0.00 O ATOM 1226 CB SER A 81 -15.177 -4.797 -8.174 1.00 0.00 C ATOM 1227 OG SER A 81 -15.527 -5.077 -9.518 1.00 0.00 O ATOM 0 H SER A 81 -14.557 -2.607 -9.123 1.00 0.00 H new ATOM 0 HA SER A 81 -13.474 -4.130 -7.032 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.257 -5.706 -7.577 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.880 -4.077 -7.754 1.00 0.00 H new ATOM 0 HG SER A 81 -16.440 -5.431 -9.551 1.00 0.00 H new ATOM 1233 N ALA A 82 -12.363 -4.947 -9.956 1.00 0.00 N ATOM 1234 CA ALA A 82 -11.423 -5.819 -10.654 1.00 0.00 C ATOM 1235 C ALA A 82 -9.984 -5.419 -10.350 1.00 0.00 C ATOM 1236 O ALA A 82 -9.054 -6.198 -10.554 1.00 0.00 O ATOM 1237 CB ALA A 82 -11.679 -5.790 -12.152 1.00 0.00 C ATOM 0 H ALA A 82 -12.664 -4.132 -10.491 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.576 -6.838 -10.297 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.969 -6.446 -12.655 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.694 -6.131 -12.354 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.558 -4.772 -12.522 1.00 0.00 H new ATOM 1243 N LEU A 83 -9.814 -4.201 -9.846 1.00 0.00 N ATOM 1244 CA LEU A 83 -8.493 -3.696 -9.496 1.00 0.00 C ATOM 1245 C LEU A 83 -8.157 -4.061 -8.055 1.00 0.00 C ATOM 1246 O LEU A 83 -7.046 -3.825 -7.580 1.00 0.00 O ATOM 1247 CB LEU A 83 -8.425 -2.175 -9.703 1.00 0.00 C ATOM 1248 CG LEU A 83 -8.645 -1.320 -8.451 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -7.316 -0.985 -7.793 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -9.395 -0.047 -8.802 1.00 0.00 C ATOM 0 H LEU A 83 -10.576 -3.546 -9.671 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.756 -4.160 -10.151 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.449 -1.928 -10.122 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.171 -1.895 -10.447 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.246 -1.894 -7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.492 -0.377 -6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.809 -1.907 -7.507 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.692 -0.431 -8.494 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.543 0.548 -7.901 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.817 0.528 -9.526 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.364 -0.302 -9.231 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.133 -4.641 -7.371 1.00 0.00 N ATOM 1263 CA LEU A 84 -8.965 -5.044 -5.985 1.00 0.00 C ATOM 1264 C LEU A 84 -8.736 -6.545 -5.877 1.00 0.00 C ATOM 1265 O LEU A 84 -8.597 -7.089 -4.781 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.191 -4.621 -5.181 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.574 -3.152 -5.351 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.616 -2.747 -4.323 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.343 -2.260 -5.245 1.00 0.00 C ATOM 0 H LEU A 84 -10.055 -4.843 -7.758 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.084 -4.549 -5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.037 -5.242 -5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.004 -4.817 -4.125 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.005 -3.025 -6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.875 -1.697 -4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.508 -3.360 -4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.214 -2.892 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.637 -1.218 -5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.881 -2.393 -4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.630 -2.531 -6.023 1.00 0.00 H new ATOM 1281 N SER A 85 -8.685 -7.203 -7.027 1.00 0.00 N ATOM 1282 CA SER A 85 -8.455 -8.642 -7.081 1.00 0.00 C ATOM 1283 C SER A 85 -7.056 -8.982 -6.592 1.00 0.00 C ATOM 1284 O SER A 85 -6.331 -8.122 -6.090 1.00 0.00 O ATOM 1285 CB SER A 85 -8.646 -9.155 -8.509 1.00 0.00 C ATOM 1286 OG SER A 85 -9.855 -8.672 -9.069 1.00 0.00 O ATOM 0 H SER A 85 -8.800 -6.762 -7.939 1.00 0.00 H new ATOM 0 HA SER A 85 -9.179 -9.128 -6.427 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.805 -8.841 -9.127 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.652 -10.245 -8.509 1.00 0.00 H new ATOM 0 HG SER A 85 -9.658 -7.940 -9.690 1.00 0.00 H new ATOM 1292 N SER A 86 -6.682 -10.240 -6.751 1.00 0.00 N ATOM 1293 CA SER A 86 -5.365 -10.711 -6.338 1.00 0.00 C ATOM 1294 C SER A 86 -4.322 -10.354 -7.390 1.00 0.00 C ATOM 1295 O SER A 86 -3.316 -11.044 -7.549 1.00 0.00 O ATOM 1296 CB SER A 86 -5.386 -12.224 -6.113 1.00 0.00 C ATOM 1297 OG SER A 86 -4.342 -12.627 -5.242 1.00 0.00 O ATOM 0 H SER A 86 -7.274 -10.960 -7.166 1.00 0.00 H new ATOM 0 HA SER A 86 -5.101 -10.221 -5.401 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.348 -12.519 -5.693 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.285 -12.738 -7.069 1.00 0.00 H new ATOM 0 HG SER A 86 -3.482 -12.325 -5.601 1.00 0.00 H new ATOM 1303 N ASP A 87 -4.586 -9.272 -8.113 1.00 0.00 N ATOM 1304 CA ASP A 87 -3.694 -8.808 -9.165 1.00 0.00 C ATOM 1305 C ASP A 87 -3.437 -7.310 -9.034 1.00 0.00 C ATOM 1306 O ASP A 87 -4.373 -6.509 -9.037 1.00 0.00 O ATOM 1307 CB ASP A 87 -4.308 -9.126 -10.526 1.00 0.00 C ATOM 1308 CG ASP A 87 -3.450 -8.650 -11.681 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -2.214 -8.589 -11.516 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -4.015 -8.339 -12.750 1.00 0.00 O ATOM 0 H ASP A 87 -5.418 -8.696 -7.987 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.737 -9.322 -9.072 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.458 -10.202 -10.610 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.292 -8.661 -10.594 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.166 -6.934 -8.912 1.00 0.00 N ATOM 1316 CA ILE A 88 -1.796 -5.529 -8.772 1.00 0.00 C ATOM 1317 C ILE A 88 -1.730 -4.827 -10.120 1.00 0.00 C ATOM 1318 O ILE A 88 -1.524 -3.619 -10.179 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.434 -5.354 -8.071 1.00 0.00 C ATOM 1320 CG1 ILE A 88 0.481 -6.545 -8.355 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -0.622 -5.166 -6.577 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.946 -6.175 -8.419 1.00 0.00 C ATOM 0 H ILE A 88 -1.378 -7.581 -8.907 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.578 -5.079 -8.160 1.00 0.00 H new ATOM 0 HB ILE A 88 0.042 -4.459 -8.472 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.337 -7.297 -7.579 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.188 -7.002 -9.300 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.351 -5.044 -6.100 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.229 -4.279 -6.395 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.123 -6.040 -6.161 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.538 -7.067 -8.624 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.103 -5.445 -9.214 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.255 -5.745 -7.466 1.00 0.00 H new ATOM 1334 N THR A 89 -1.893 -5.583 -11.200 1.00 0.00 N ATOM 1335 CA THR A 89 -1.839 -5.009 -12.539 1.00 0.00 C ATOM 1336 C THR A 89 -2.745 -3.788 -12.653 1.00 0.00 C ATOM 1337 O THR A 89 -2.327 -2.739 -13.138 1.00 0.00 O ATOM 1338 CB THR A 89 -2.242 -6.039 -13.612 1.00 0.00 C ATOM 1339 OG1 THR A 89 -1.357 -7.164 -13.568 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.208 -5.419 -15.001 1.00 0.00 C ATOM 0 H THR A 89 -2.063 -6.588 -11.175 1.00 0.00 H new ATOM 0 HA THR A 89 -0.806 -4.707 -12.710 1.00 0.00 H new ATOM 0 HB THR A 89 -3.260 -6.367 -13.402 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.435 -7.608 -12.698 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.496 -6.166 -15.740 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.903 -4.581 -15.042 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.200 -5.065 -15.217 1.00 0.00 H new ATOM 1348 N ALA A 90 -3.994 -3.939 -12.225 1.00 0.00 N ATOM 1349 CA ALA A 90 -4.962 -2.862 -12.296 1.00 0.00 C ATOM 1350 C ALA A 90 -4.602 -1.689 -11.380 1.00 0.00 C ATOM 1351 O ALA A 90 -4.581 -0.540 -11.819 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.348 -3.387 -11.972 1.00 0.00 C ATOM 0 H ALA A 90 -4.357 -4.804 -11.824 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.949 -2.479 -13.317 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.068 -2.571 -12.028 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.621 -4.161 -12.689 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.352 -3.806 -10.966 1.00 0.00 H new ATOM 1358 N SER A 91 -4.320 -1.981 -10.110 1.00 0.00 N ATOM 1359 CA SER A 91 -3.962 -0.939 -9.147 1.00 0.00 C ATOM 1360 C SER A 91 -2.679 -0.228 -9.552 1.00 0.00 C ATOM 1361 O SER A 91 -2.507 0.963 -9.286 1.00 0.00 O ATOM 1362 CB SER A 91 -3.799 -1.534 -7.748 1.00 0.00 C ATOM 1363 OG SER A 91 -4.614 -2.682 -7.582 1.00 0.00 O ATOM 0 H SER A 91 -4.332 -2.926 -9.725 1.00 0.00 H new ATOM 0 HA SER A 91 -4.772 -0.210 -9.136 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.755 -1.799 -7.582 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.062 -0.787 -6.999 1.00 0.00 H new ATOM 0 HG SER A 91 -4.103 -3.483 -7.822 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.783 -0.956 -10.197 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.527 -0.365 -10.622 1.00 0.00 C ATOM 1371 C VAL A 92 -0.703 0.442 -11.886 1.00 0.00 C ATOM 1372 O VAL A 92 -0.244 1.567 -11.955 1.00 0.00 O ATOM 1373 CB VAL A 92 0.597 -1.393 -10.843 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.792 -0.721 -11.520 1.00 0.00 C ATOM 1375 CG2 VAL A 92 1.008 -2.031 -9.525 1.00 0.00 C ATOM 0 H VAL A 92 -1.899 -1.941 -10.435 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.226 0.282 -9.798 1.00 0.00 H new ATOM 0 HB VAL A 92 0.227 -2.184 -11.495 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.583 -1.455 -11.673 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.483 -0.314 -12.483 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.162 0.086 -10.887 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.804 -2.754 -9.703 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.365 -1.259 -8.843 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.150 -2.537 -9.083 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.361 -0.126 -12.887 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.575 0.573 -14.126 1.00 0.00 C ATOM 1387 C ASN A 93 -2.105 1.970 -13.858 1.00 0.00 C ATOM 1388 O ASN A 93 -1.657 2.955 -14.453 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.527 -0.216 -15.006 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.747 0.578 -15.432 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -3.703 1.338 -16.400 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -4.847 0.407 -14.708 1.00 0.00 N ATOM 0 H ASN A 93 -1.752 -1.068 -12.856 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.625 0.671 -14.652 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.994 -0.554 -15.894 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.851 -1.108 -14.470 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.699 0.915 -14.946 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.840 -0.233 -13.914 1.00 0.00 H new ATOM 1399 N CYS A 94 -3.050 2.049 -12.931 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.630 3.320 -12.556 1.00 0.00 C ATOM 1401 C CYS A 94 -2.570 4.219 -11.942 1.00 0.00 C ATOM 1402 O CYS A 94 -2.432 5.379 -12.330 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.784 3.124 -11.578 1.00 0.00 C ATOM 1404 SG CYS A 94 -6.069 4.403 -11.713 1.00 0.00 S ATOM 0 H CYS A 94 -3.427 1.246 -12.428 1.00 0.00 H new ATOM 0 HA CYS A 94 -4.021 3.795 -13.455 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.235 2.147 -11.751 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.392 3.119 -10.561 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.816 3.684 -10.983 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.775 4.473 -10.341 1.00 0.00 C ATOM 1411 C ALA A 95 0.335 4.775 -11.328 1.00 0.00 C ATOM 1412 O ALA A 95 0.970 5.817 -11.252 1.00 0.00 O ATOM 1413 CB ALA A 95 -0.228 3.788 -9.113 1.00 0.00 C ATOM 0 H ALA A 95 -1.905 2.727 -10.641 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.222 5.411 -10.013 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.546 4.410 -8.664 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.032 3.634 -8.394 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.198 2.824 -9.393 1.00 0.00 H new ATOM 1419 N LYS A 96 0.549 3.865 -12.271 1.00 0.00 N ATOM 1420 CA LYS A 96 1.561 4.063 -13.290 1.00 0.00 C ATOM 1421 C LYS A 96 1.303 5.424 -13.917 1.00 0.00 C ATOM 1422 O LYS A 96 2.215 6.208 -14.196 1.00 0.00 O ATOM 1423 CB LYS A 96 1.477 2.965 -14.353 1.00 0.00 C ATOM 1424 CG LYS A 96 2.254 1.709 -13.995 1.00 0.00 C ATOM 1425 CD LYS A 96 1.917 0.558 -14.929 1.00 0.00 C ATOM 1426 CE LYS A 96 3.089 0.212 -15.832 1.00 0.00 C ATOM 1427 NZ LYS A 96 2.822 -1.006 -16.647 1.00 0.00 N ATOM 0 H LYS A 96 0.035 2.987 -12.347 1.00 0.00 H new ATOM 0 HA LYS A 96 2.559 4.019 -12.853 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.431 2.702 -14.510 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.852 3.357 -15.298 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.323 1.916 -14.042 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.030 1.422 -12.968 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.637 -0.317 -14.343 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.053 0.823 -15.538 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.298 1.053 -16.494 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.981 0.054 -15.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.645 -1.208 -17.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.648 -1.814 -16.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.986 -0.847 -17.245 1.00 0.00 H new ATOM 1441 N LYS A 97 0.011 5.694 -14.077 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.461 6.959 -14.614 1.00 0.00 C ATOM 1443 C LYS A 97 -0.424 8.027 -13.528 1.00 0.00 C ATOM 1444 O LYS A 97 -0.176 9.202 -13.804 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.878 6.814 -15.169 1.00 0.00 C ATOM 1446 CG LYS A 97 -2.030 7.320 -16.594 1.00 0.00 C ATOM 1447 CD LYS A 97 -3.229 6.689 -17.284 1.00 0.00 C ATOM 1448 CE LYS A 97 -4.430 7.619 -17.276 1.00 0.00 C ATOM 1449 NZ LYS A 97 -5.132 7.632 -18.589 1.00 0.00 N ATOM 0 H LYS A 97 -0.735 5.041 -13.837 1.00 0.00 H new ATOM 0 HA LYS A 97 0.195 7.259 -15.431 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.167 5.764 -15.133 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.569 7.357 -14.524 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.142 8.404 -16.586 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.125 7.097 -17.159 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.968 6.439 -18.312 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.487 5.755 -16.785 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.125 7.308 -16.496 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.105 8.629 -17.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.945 8.279 -18.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.477 7.954 -19.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.465 6.673 -18.814 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.655 7.605 -12.285 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.630 8.523 -11.155 1.00 0.00 C ATOM 1465 C ILE A 98 0.758 9.140 -11.011 1.00 0.00 C ATOM 1466 O ILE A 98 0.910 10.359 -10.926 1.00 0.00 O ATOM 1467 CB ILE A 98 -1.029 7.827 -9.838 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -2.507 7.423 -9.885 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.762 8.743 -8.651 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.945 6.583 -8.704 1.00 0.00 C ATOM 0 H ILE A 98 -0.860 6.637 -12.039 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.362 9.306 -11.354 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.425 6.928 -9.718 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.120 8.324 -9.926 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.694 6.868 -10.804 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.049 8.237 -7.729 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.299 8.991 -8.614 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.345 9.658 -8.759 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -4.002 6.335 -8.806 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.358 5.665 -8.673 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.791 7.143 -7.782 1.00 0.00 H new ATOM 1482 N VAL A 99 1.762 8.275 -10.987 1.00 0.00 N ATOM 1483 CA VAL A 99 3.149 8.687 -10.857 1.00 0.00 C ATOM 1484 C VAL A 99 3.639 9.376 -12.126 1.00 0.00 C ATOM 1485 O VAL A 99 4.564 10.186 -12.079 1.00 0.00 O ATOM 1486 CB VAL A 99 4.056 7.480 -10.557 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.061 6.511 -11.729 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.469 7.938 -10.228 1.00 0.00 C ATOM 0 H VAL A 99 1.635 7.265 -11.057 1.00 0.00 H new ATOM 0 HA VAL A 99 3.200 9.391 -10.026 1.00 0.00 H new ATOM 0 HB VAL A 99 3.658 6.959 -9.686 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.708 5.664 -11.498 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.047 6.154 -11.911 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.432 7.019 -12.619 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.094 7.069 -10.019 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.881 8.486 -11.076 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.446 8.588 -9.353 1.00 0.00 H new ATOM 1498 N SER A 100 3.003 9.068 -13.256 1.00 0.00 N ATOM 1499 CA SER A 100 3.376 9.683 -14.523 1.00 0.00 C ATOM 1500 C SER A 100 2.670 11.023 -14.689 1.00 0.00 C ATOM 1501 O SER A 100 2.980 11.796 -15.595 1.00 0.00 O ATOM 1502 CB SER A 100 3.026 8.758 -15.690 1.00 0.00 C ATOM 1503 OG SER A 100 1.661 8.884 -16.049 1.00 0.00 O ATOM 0 H SER A 100 2.233 8.401 -13.317 1.00 0.00 H new ATOM 0 HA SER A 100 4.453 9.850 -14.521 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.654 8.996 -16.548 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.239 7.725 -15.416 1.00 0.00 H new ATOM 0 HG SER A 100 1.131 9.096 -15.252 1.00 0.00 H new ATOM 1509 N ASP A 101 1.714 11.287 -13.801 1.00 0.00 N ATOM 1510 CA ASP A 101 0.952 12.529 -13.838 1.00 0.00 C ATOM 1511 C ASP A 101 1.730 13.672 -13.193 1.00 0.00 C ATOM 1512 O ASP A 101 1.287 14.822 -13.213 1.00 0.00 O ATOM 1513 CB ASP A 101 -0.391 12.348 -13.129 1.00 0.00 C ATOM 1514 CG ASP A 101 -1.561 12.796 -13.982 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -1.819 14.017 -14.041 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -2.221 11.927 -14.590 1.00 0.00 O ATOM 0 H ASP A 101 1.450 10.654 -13.046 1.00 0.00 H new ATOM 0 HA ASP A 101 0.775 12.783 -14.883 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.520 11.299 -12.863 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.386 12.914 -12.198 1.00 0.00 H new ATOM 1521 N GLY A 102 2.891 13.356 -12.625 1.00 0.00 N ATOM 1522 CA GLY A 102 3.705 14.378 -11.991 1.00 0.00 C ATOM 1523 C GLY A 102 4.073 14.040 -10.558 1.00 0.00 C ATOM 1524 O GLY A 102 5.220 14.215 -10.148 1.00 0.00 O ATOM 0 H GLY A 102 3.281 12.414 -12.593 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.617 14.519 -12.571 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.167 15.326 -12.008 1.00 0.00 H new ATOM 1528 N ASN A 103 3.097 13.561 -9.792 1.00 0.00 N ATOM 1529 CA ASN A 103 3.326 13.205 -8.394 1.00 0.00 C ATOM 1530 C ASN A 103 3.737 11.743 -8.258 1.00 0.00 C ATOM 1531 O ASN A 103 2.945 10.839 -8.528 1.00 0.00 O ATOM 1532 CB ASN A 103 2.068 13.473 -7.567 1.00 0.00 C ATOM 1533 CG ASN A 103 1.680 14.939 -7.561 1.00 0.00 C ATOM 1534 OD1 ASN A 103 1.941 15.658 -6.596 1.00 0.00 O ATOM 1535 ND2 ASN A 103 1.053 15.389 -8.641 1.00 0.00 N ATOM 0 H ASN A 103 2.141 13.410 -10.115 1.00 0.00 H new ATOM 0 HA ASN A 103 4.141 13.824 -8.019 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.242 12.883 -7.965 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.232 13.140 -6.542 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.767 16.367 -8.694 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.857 14.757 -9.417 1.00 0.00 H new ATOM 1542 N GLY A 104 4.982 11.518 -7.845 1.00 0.00 N ATOM 1543 CA GLY A 104 5.479 10.164 -7.686 1.00 0.00 C ATOM 1544 C GLY A 104 5.038 9.518 -6.386 1.00 0.00 C ATOM 1545 O GLY A 104 3.845 9.441 -6.101 1.00 0.00 O ATOM 0 H GLY A 104 5.655 12.250 -7.618 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.134 9.556 -8.522 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.568 10.176 -7.728 1.00 0.00 H new ATOM 1549 N MET A 105 6.006 9.064 -5.591 1.00 0.00 N ATOM 1550 CA MET A 105 5.720 8.431 -4.311 1.00 0.00 C ATOM 1551 C MET A 105 5.311 9.486 -3.305 1.00 0.00 C ATOM 1552 O MET A 105 4.913 9.179 -2.180 1.00 0.00 O ATOM 1553 CB MET A 105 6.954 7.688 -3.795 1.00 0.00 C ATOM 1554 CG MET A 105 7.861 7.167 -4.895 1.00 0.00 C ATOM 1555 SD MET A 105 7.008 6.062 -6.033 1.00 0.00 S ATOM 1556 CE MET A 105 6.099 5.046 -4.876 1.00 0.00 C ATOM 0 H MET A 105 6.999 9.125 -5.815 1.00 0.00 H new ATOM 0 HA MET A 105 4.909 7.716 -4.447 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.526 8.356 -3.152 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.630 6.851 -3.177 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.271 8.010 -5.452 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.704 6.641 -4.447 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.994 4.039 -5.280 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.637 5.003 -3.929 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.111 5.476 -4.713 1.00 0.00 H new ATOM 1566 N ASN A 106 5.432 10.736 -3.722 1.00 0.00 N ATOM 1567 CA ASN A 106 5.102 11.866 -2.881 1.00 0.00 C ATOM 1568 C ASN A 106 3.592 12.061 -2.799 1.00 0.00 C ATOM 1569 O ASN A 106 3.075 12.545 -1.791 1.00 0.00 O ATOM 1570 CB ASN A 106 5.766 13.119 -3.443 1.00 0.00 C ATOM 1571 CG ASN A 106 7.047 12.806 -4.192 1.00 0.00 C ATOM 1572 OD1 ASN A 106 8.018 12.324 -3.609 1.00 0.00 O ATOM 1573 ND2 ASN A 106 7.054 13.080 -5.492 1.00 0.00 N ATOM 0 H ASN A 106 5.762 10.992 -4.653 1.00 0.00 H new ATOM 0 HA ASN A 106 5.470 11.677 -1.873 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.071 13.626 -4.112 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.984 13.809 -2.628 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.888 12.891 -6.049 1.00 0.00 H new ATOM 0 HD22 ASN A 106 6.226 13.479 -5.934 1.00 0.00 H new ATOM 1580 N ALA A 107 2.890 11.683 -3.864 1.00 0.00 N ATOM 1581 CA ALA A 107 1.439 11.818 -3.911 1.00 0.00 C ATOM 1582 C ALA A 107 0.791 11.145 -2.709 1.00 0.00 C ATOM 1583 O ALA A 107 -0.076 11.721 -2.051 1.00 0.00 O ATOM 1584 CB ALA A 107 0.898 11.223 -5.202 1.00 0.00 C ATOM 0 H ALA A 107 3.303 11.281 -4.705 1.00 0.00 H new ATOM 0 HA ALA A 107 1.194 12.880 -3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.187 11.330 -5.225 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.333 11.746 -6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.160 10.166 -5.253 1.00 0.00 H new ATOM 1590 N TRP A 108 1.219 9.919 -2.431 1.00 0.00 N ATOM 1591 CA TRP A 108 0.685 9.157 -1.314 1.00 0.00 C ATOM 1592 C TRP A 108 1.326 9.602 -0.002 1.00 0.00 C ATOM 1593 O TRP A 108 2.532 9.838 0.071 1.00 0.00 O ATOM 1594 CB TRP A 108 0.891 7.665 -1.563 1.00 0.00 C ATOM 1595 CG TRP A 108 0.265 7.211 -2.851 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -1.047 6.900 -3.058 1.00 0.00 C ATOM 1597 CD2 TRP A 108 0.922 7.035 -4.111 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -1.246 6.539 -4.370 1.00 0.00 N ATOM 1599 CE2 TRP A 108 -0.053 6.610 -5.036 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.239 7.193 -4.548 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.252 6.343 -6.373 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.539 6.928 -5.870 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.551 6.508 -6.769 1.00 0.00 C ATOM 0 H TRP A 108 1.937 9.432 -2.967 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.385 9.345 -1.230 1.00 0.00 H new ATOM 0 HB2 TRP A 108 1.959 7.446 -1.583 1.00 0.00 H new ATOM 0 HB3 TRP A 108 0.465 7.098 -0.735 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.817 6.933 -2.302 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -2.138 6.263 -4.780 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.010 7.517 -3.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.509 6.019 -7.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.555 7.047 -6.217 1.00 0.00 H new ATOM 0 HH2 TRP A 108 1.820 6.310 -7.796 1.00 0.00 H new ATOM 1614 N VAL A 109 0.490 9.752 1.018 1.00 0.00 N ATOM 1615 CA VAL A 109 0.928 10.216 2.333 1.00 0.00 C ATOM 1616 C VAL A 109 1.604 9.140 3.171 1.00 0.00 C ATOM 1617 O VAL A 109 2.303 9.455 4.134 1.00 0.00 O ATOM 1618 CB VAL A 109 -0.246 10.749 3.137 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.207 11.837 4.100 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.358 11.251 2.227 1.00 0.00 C ATOM 0 H VAL A 109 -0.509 9.556 0.959 1.00 0.00 H new ATOM 0 HA VAL A 109 1.658 10.998 2.124 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.650 9.924 3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.650 12.203 4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.947 11.429 4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.649 12.659 3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.183 11.626 2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.977 12.054 1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.711 10.433 1.599 1.00 0.00 H new ATOM 1630 N ALA A 110 1.412 7.881 2.818 1.00 0.00 N ATOM 1631 CA ALA A 110 2.032 6.793 3.568 1.00 0.00 C ATOM 1632 C ALA A 110 3.523 6.731 3.286 1.00 0.00 C ATOM 1633 O ALA A 110 4.314 6.354 4.150 1.00 0.00 O ATOM 1634 CB ALA A 110 1.365 5.466 3.240 1.00 0.00 C ATOM 0 H ALA A 110 0.840 7.585 2.027 1.00 0.00 H new ATOM 0 HA ALA A 110 1.894 6.988 4.632 1.00 0.00 H new ATOM 0 HB1 ALA A 110 1.842 4.668 3.809 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.308 5.516 3.501 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.466 5.261 2.174 1.00 0.00 H new ATOM 1640 N TRP A 111 3.902 7.130 2.081 1.00 0.00 N ATOM 1641 CA TRP A 111 5.304 7.146 1.705 1.00 0.00 C ATOM 1642 C TRP A 111 5.953 8.414 2.244 1.00 0.00 C ATOM 1643 O TRP A 111 7.117 8.408 2.639 1.00 0.00 O ATOM 1644 CB TRP A 111 5.470 7.044 0.186 1.00 0.00 C ATOM 1645 CG TRP A 111 6.903 7.051 -0.259 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.690 5.963 -0.505 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.719 8.203 -0.514 1.00 0.00 C ATOM 1648 NE1 TRP A 111 8.944 6.366 -0.897 1.00 0.00 N ATOM 1649 CE2 TRP A 111 8.987 7.735 -0.910 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.500 9.581 -0.446 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.029 8.599 -1.235 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.537 10.437 -0.770 1.00 0.00 C ATOM 1653 CH2 TRP A 111 9.787 9.943 -1.160 1.00 0.00 C ATOM 0 H TRP A 111 3.261 7.445 1.352 1.00 0.00 H new ATOM 0 HA TRP A 111 5.800 6.278 2.141 1.00 0.00 H new ATOM 0 HB2 TRP A 111 4.993 6.128 -0.163 1.00 0.00 H new ATOM 0 HB3 TRP A 111 4.947 7.876 -0.286 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.373 4.935 -0.406 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.717 5.746 -1.139 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.539 9.971 -0.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 10.995 8.221 -1.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.379 11.504 -0.721 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.577 10.637 -1.407 1.00 0.00 H new ATOM 1664 N ARG A 112 5.185 9.502 2.284 1.00 0.00 N ATOM 1665 CA ARG A 112 5.679 10.767 2.806 1.00 0.00 C ATOM 1666 C ARG A 112 5.358 10.891 4.291 1.00 0.00 C ATOM 1667 O ARG A 112 4.876 11.928 4.749 1.00 0.00 O ATOM 1668 CB ARG A 112 5.050 11.927 2.054 1.00 0.00 C ATOM 1669 CG ARG A 112 5.890 12.434 0.893 1.00 0.00 C ATOM 1670 CD ARG A 112 5.520 13.861 0.519 1.00 0.00 C ATOM 1671 NE ARG A 112 5.508 14.746 1.681 1.00 0.00 N ATOM 1672 CZ ARG A 112 6.547 15.489 2.051 1.00 0.00 C ATOM 1673 NH1 ARG A 112 7.675 15.454 1.354 1.00 0.00 N ATOM 1674 NH2 ARG A 112 6.457 16.269 3.120 1.00 0.00 N ATOM 0 H ARG A 112 4.218 9.529 1.960 1.00 0.00 H new ATOM 0 HA ARG A 112 6.760 10.794 2.671 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.075 11.617 1.677 1.00 0.00 H new ATOM 0 HB3 ARG A 112 4.876 12.748 2.750 1.00 0.00 H new ATOM 0 HG2 ARG A 112 6.946 12.389 1.159 1.00 0.00 H new ATOM 0 HG3 ARG A 112 5.751 11.783 0.030 1.00 0.00 H new ATOM 0 HD2 ARG A 112 6.230 14.239 -0.217 1.00 0.00 H new ATOM 0 HD3 ARG A 112 4.537 13.869 0.047 1.00 0.00 H new ATOM 0 HE ARG A 112 4.656 14.797 2.239 1.00 0.00 H new ATOM 0 HH11 ARG A 112 7.748 14.856 0.531 1.00 0.00 H new ATOM 0 HH12 ARG A 112 8.470 16.025 1.641 1.00 0.00 H new ATOM 0 HH21 ARG A 112 5.591 16.299 3.658 1.00 0.00 H new ATOM 0 HH22 ARG A 112 7.254 16.839 3.404 1.00 0.00 H new ATOM 1688 N ASN A 113 5.635 9.835 5.035 1.00 0.00 N ATOM 1689 CA ASN A 113 5.383 9.827 6.470 1.00 0.00 C ATOM 1690 C ASN A 113 6.311 8.850 7.181 1.00 0.00 C ATOM 1691 O ASN A 113 7.062 9.230 8.079 1.00 0.00 O ATOM 1692 CB ASN A 113 3.926 9.460 6.753 1.00 0.00 C ATOM 1693 CG ASN A 113 3.146 10.612 7.355 1.00 0.00 C ATOM 1694 OD1 ASN A 113 2.785 10.482 8.627 1.00 0.00 O flip ATOM 1695 ND2 ASN A 113 2.870 11.606 6.684 1.00 0.00 N flip ATOM 0 H ASN A 113 6.035 8.970 4.671 1.00 0.00 H new ATOM 0 HA ASN A 113 5.579 10.829 6.851 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.447 9.146 5.826 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.894 8.609 7.433 1.00 0.00 H new ATOM 0 HD21 ASN A 113 3.168 11.663 5.710 1.00 0.00 H new ATOM 0 HD22 ASN A 113 2.343 12.373 7.102 1.00 0.00 H new ATOM 1702 N ARG A 114 6.241 7.589 6.779 1.00 0.00 N ATOM 1703 CA ARG A 114 7.061 6.548 7.383 1.00 0.00 C ATOM 1704 C ARG A 114 8.103 6.009 6.407 1.00 0.00 C ATOM 1705 O ARG A 114 8.823 5.061 6.723 1.00 0.00 O ATOM 1706 CB ARG A 114 6.171 5.407 7.866 1.00 0.00 C ATOM 1707 CG ARG A 114 5.703 5.563 9.304 1.00 0.00 C ATOM 1708 CD ARG A 114 4.200 5.771 9.382 1.00 0.00 C ATOM 1709 NE ARG A 114 3.830 6.701 10.444 1.00 0.00 N ATOM 1710 CZ ARG A 114 2.575 6.934 10.817 1.00 0.00 C ATOM 1711 NH1 ARG A 114 1.573 6.306 10.216 1.00 0.00 N ATOM 1712 NH2 ARG A 114 2.319 7.795 11.792 1.00 0.00 N ATOM 0 H ARG A 114 5.624 7.261 6.036 1.00 0.00 H new ATOM 0 HA ARG A 114 7.591 6.990 8.227 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.299 5.338 7.215 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.716 4.468 7.770 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.979 4.677 9.875 1.00 0.00 H new ATOM 0 HG3 ARG A 114 6.213 6.410 9.764 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.837 6.149 8.426 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.710 4.812 9.553 1.00 0.00 H new ATOM 0 HE ARG A 114 4.576 7.201 10.928 1.00 0.00 H new ATOM 0 HH11 ARG A 114 1.764 5.642 9.465 1.00 0.00 H new ATOM 0 HH12 ARG A 114 0.611 6.487 10.504 1.00 0.00 H new ATOM 0 HH21 ARG A 114 3.086 8.281 12.258 1.00 0.00 H new ATOM 0 HH22 ARG A 114 1.356 7.972 12.076 1.00 0.00 H new ATOM 1726 N CYS A 115 8.177 6.604 5.223 1.00 0.00 N ATOM 1727 CA CYS A 115 9.132 6.158 4.215 1.00 0.00 C ATOM 1728 C CYS A 115 10.197 7.216 3.941 1.00 0.00 C ATOM 1729 O CYS A 115 11.390 6.917 3.945 1.00 0.00 O ATOM 1730 CB CYS A 115 8.405 5.799 2.921 1.00 0.00 C ATOM 1731 SG CYS A 115 7.506 4.219 3.000 1.00 0.00 S ATOM 0 H CYS A 115 7.593 7.390 4.938 1.00 0.00 H new ATOM 0 HA CYS A 115 9.634 5.272 4.604 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.702 6.595 2.677 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.130 5.754 2.108 1.00 0.00 H new ATOM 1736 N LYS A 116 9.762 8.447 3.697 1.00 0.00 N ATOM 1737 CA LYS A 116 10.688 9.539 3.416 1.00 0.00 C ATOM 1738 C LYS A 116 11.612 9.790 4.603 1.00 0.00 C ATOM 1739 O LYS A 116 11.291 10.572 5.499 1.00 0.00 O ATOM 1740 CB LYS A 116 9.915 10.815 3.076 1.00 0.00 C ATOM 1741 CG LYS A 116 10.809 12.006 2.768 1.00 0.00 C ATOM 1742 CD LYS A 116 10.890 12.270 1.273 1.00 0.00 C ATOM 1743 CE LYS A 116 12.312 12.584 0.839 1.00 0.00 C ATOM 1744 NZ LYS A 116 12.350 13.308 -0.462 1.00 0.00 N ATOM 0 H LYS A 116 8.778 8.714 3.688 1.00 0.00 H new ATOM 0 HA LYS A 116 11.299 9.253 2.560 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.272 10.622 2.217 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.263 11.068 3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.425 12.891 3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.809 11.823 3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.526 11.399 0.728 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.237 13.103 1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.800 13.187 1.604 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.879 11.657 0.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.338 13.503 -0.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 11.907 12.722 -1.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.831 14.205 -0.375 1.00 0.00 H new ATOM 1758 N GLY A 117 12.764 9.126 4.602 1.00 0.00 N ATOM 1759 CA GLY A 117 13.716 9.297 5.682 1.00 0.00 C ATOM 1760 C GLY A 117 14.287 7.985 6.183 1.00 0.00 C ATOM 1761 O GLY A 117 15.052 7.967 7.147 1.00 0.00 O ATOM 0 H GLY A 117 13.054 8.474 3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.532 9.935 5.342 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.230 9.814 6.509 1.00 0.00 H new ATOM 1765 N THR A 118 13.921 6.882 5.533 1.00 0.00 N ATOM 1766 CA THR A 118 14.410 5.566 5.929 1.00 0.00 C ATOM 1767 C THR A 118 15.230 4.928 4.809 1.00 0.00 C ATOM 1768 O THR A 118 15.849 5.629 4.008 1.00 0.00 O ATOM 1769 CB THR A 118 13.248 4.629 6.306 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.309 4.552 5.226 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.542 5.119 7.562 1.00 0.00 C ATOM 0 H THR A 118 13.289 6.875 4.732 1.00 0.00 H new ATOM 0 HA THR A 118 15.046 5.709 6.803 1.00 0.00 H new ATOM 0 HB THR A 118 13.659 3.639 6.502 1.00 0.00 H new ATOM 0 HG1 THR A 118 11.994 5.452 5.002 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.725 4.441 7.808 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.251 5.149 8.390 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.144 6.119 7.389 1.00 0.00 H new ATOM 1779 N ASP A 119 15.236 3.597 4.757 1.00 0.00 N ATOM 1780 CA ASP A 119 15.985 2.879 3.733 1.00 0.00 C ATOM 1781 C ASP A 119 15.115 1.860 3.008 1.00 0.00 C ATOM 1782 O ASP A 119 14.903 0.748 3.491 1.00 0.00 O ATOM 1783 CB ASP A 119 17.183 2.193 4.340 1.00 0.00 C ATOM 1784 CG ASP A 119 18.340 2.073 3.369 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.166 1.430 2.313 1.00 0.00 O ATOM 1786 OD2 ASP A 119 19.422 2.623 3.665 1.00 0.00 O ATOM 0 H ASP A 119 14.732 2.998 5.411 1.00 0.00 H new ATOM 0 HA ASP A 119 16.323 3.613 3.001 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.508 2.748 5.220 1.00 0.00 H new ATOM 0 HB3 ASP A 119 16.894 1.198 4.680 1.00 0.00 H new ATOM 1791 N VAL A 120 14.619 2.252 1.841 1.00 0.00 N ATOM 1792 CA VAL A 120 13.775 1.390 1.028 1.00 0.00 C ATOM 1793 C VAL A 120 14.589 0.261 0.414 1.00 0.00 C ATOM 1794 O VAL A 120 14.107 -0.863 0.279 1.00 0.00 O ATOM 1795 CB VAL A 120 13.080 2.182 -0.095 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.096 3.186 0.489 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.107 2.884 -0.972 1.00 0.00 C ATOM 0 H VAL A 120 14.790 3.172 1.434 1.00 0.00 H new ATOM 0 HA VAL A 120 13.014 0.972 1.686 1.00 0.00 H new ATOM 0 HB VAL A 120 12.525 1.480 -0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.615 3.736 -0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.339 2.658 1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.628 3.883 1.136 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.595 3.438 -1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.693 3.574 -0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.769 2.144 -1.421 1.00 0.00 H new ATOM 1807 N GLN A 121 15.835 0.565 0.056 1.00 0.00 N ATOM 1808 CA GLN A 121 16.719 -0.432 -0.526 1.00 0.00 C ATOM 1809 C GLN A 121 16.895 -1.588 0.448 1.00 0.00 C ATOM 1810 O GLN A 121 17.216 -2.710 0.056 1.00 0.00 O ATOM 1811 CB GLN A 121 18.078 0.185 -0.862 1.00 0.00 C ATOM 1812 CG GLN A 121 18.124 0.850 -2.228 1.00 0.00 C ATOM 1813 CD GLN A 121 19.122 1.992 -2.287 1.00 0.00 C ATOM 1814 OE1 GLN A 121 20.320 1.775 -2.465 1.00 0.00 O ATOM 1815 NE2 GLN A 121 18.629 3.216 -2.140 1.00 0.00 N ATOM 0 H GLN A 121 16.250 1.491 0.160 1.00 0.00 H new ATOM 0 HA GLN A 121 16.274 -0.803 -1.449 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.331 0.922 -0.100 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.841 -0.592 -0.820 1.00 0.00 H new ATOM 0 HG2 GLN A 121 18.383 0.106 -2.982 1.00 0.00 H new ATOM 0 HG3 GLN A 121 17.132 1.226 -2.479 1.00 0.00 H new ATOM 0 HE21 GLN A 121 17.628 3.349 -1.994 1.00 0.00 H new ATOM 0 HE22 GLN A 121 19.251 4.024 -2.173 1.00 0.00 H new ATOM 1824 N ALA A 122 16.663 -1.296 1.725 1.00 0.00 N ATOM 1825 CA ALA A 122 16.774 -2.295 2.774 1.00 0.00 C ATOM 1826 C ALA A 122 15.437 -2.994 2.991 1.00 0.00 C ATOM 1827 O ALA A 122 15.388 -4.111 3.506 1.00 0.00 O ATOM 1828 CB ALA A 122 17.255 -1.654 4.067 1.00 0.00 C ATOM 0 H ALA A 122 16.396 -0.369 2.056 1.00 0.00 H new ATOM 0 HA ALA A 122 17.505 -3.041 2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.333 -2.415 4.843 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.232 -1.198 3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.545 -0.888 4.380 1.00 0.00 H new ATOM 1834 N TRP A 123 14.351 -2.330 2.594 1.00 0.00 N ATOM 1835 CA TRP A 123 13.013 -2.898 2.745 1.00 0.00 C ATOM 1836 C TRP A 123 12.876 -4.206 1.966 1.00 0.00 C ATOM 1837 O TRP A 123 11.949 -4.981 2.200 1.00 0.00 O ATOM 1838 CB TRP A 123 11.950 -1.902 2.277 1.00 0.00 C ATOM 1839 CG TRP A 123 11.453 -1.003 3.369 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.352 0.357 3.326 1.00 0.00 C ATOM 1841 CD2 TRP A 123 10.986 -1.397 4.667 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.855 0.829 4.516 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.625 -0.232 5.351 1.00 0.00 C ATOM 1844 CE3 TRP A 123 10.841 -2.621 5.316 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.128 -0.265 6.647 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.348 -2.651 6.601 1.00 0.00 C ATOM 1847 CH2 TRP A 123 9.995 -1.477 7.256 1.00 0.00 C ATOM 0 H TRP A 123 14.372 -1.404 2.168 1.00 0.00 H new ATOM 0 HA TRP A 123 12.862 -3.110 3.803 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.363 -1.292 1.474 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.107 -2.452 1.858 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.623 0.972 2.480 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.685 1.809 4.741 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.113 -3.539 4.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.854 0.646 7.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.234 -3.599 7.106 1.00 0.00 H new ATOM 0 HH2 TRP A 123 9.609 -1.526 8.264 1.00 0.00 H new ATOM 1858 N ILE A 124 13.806 -4.445 1.046 1.00 0.00 N ATOM 1859 CA ILE A 124 13.789 -5.663 0.240 1.00 0.00 C ATOM 1860 C ILE A 124 15.121 -6.399 0.339 1.00 0.00 C ATOM 1861 O ILE A 124 15.415 -7.286 -0.462 1.00 0.00 O ATOM 1862 CB ILE A 124 13.489 -5.360 -1.239 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.315 -4.165 -1.719 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.003 -5.101 -1.438 1.00 0.00 C ATOM 1865 CD1 ILE A 124 14.742 -4.269 -3.167 1.00 0.00 C ATOM 0 H ILE A 124 14.580 -3.813 0.840 1.00 0.00 H new ATOM 0 HA ILE A 124 12.994 -6.294 0.636 1.00 0.00 H new ATOM 0 HB ILE A 124 13.768 -6.230 -1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.733 -3.253 -1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.202 -4.072 -1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.808 -4.888 -2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.436 -5.981 -1.135 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.698 -4.247 -0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.323 -3.388 -3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.351 -5.162 -3.303 1.00 0.00 H new ATOM 0 HD13 ILE A 124 13.859 -4.332 -3.803 1.00 0.00 H new ATOM 1877 N ARG A 125 15.920 -6.021 1.331 1.00 0.00 N ATOM 1878 CA ARG A 125 17.223 -6.639 1.545 1.00 0.00 C ATOM 1879 C ARG A 125 17.072 -8.079 2.024 1.00 0.00 C ATOM 1880 O ARG A 125 16.979 -8.339 3.224 1.00 0.00 O ATOM 1881 CB ARG A 125 18.032 -5.832 2.563 1.00 0.00 C ATOM 1882 CG ARG A 125 19.527 -6.095 2.498 1.00 0.00 C ATOM 1883 CD ARG A 125 20.306 -4.816 2.234 1.00 0.00 C ATOM 1884 NE ARG A 125 21.338 -5.004 1.218 1.00 0.00 N ATOM 1885 CZ ARG A 125 21.580 -4.136 0.241 1.00 0.00 C ATOM 1886 NH1 ARG A 125 20.863 -3.022 0.146 1.00 0.00 N ATOM 1887 NH2 ARG A 125 22.536 -4.379 -0.645 1.00 0.00 N ATOM 0 H ARG A 125 15.687 -5.288 2.001 1.00 0.00 H new ATOM 0 HA ARG A 125 17.754 -6.647 0.593 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.851 -4.770 2.398 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.674 -6.065 3.566 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.861 -6.539 3.436 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.736 -6.819 1.711 1.00 0.00 H new ATOM 0 HD2 ARG A 125 19.619 -4.033 1.913 1.00 0.00 H new ATOM 0 HD3 ARG A 125 20.767 -4.475 3.161 1.00 0.00 H new ATOM 0 HE ARG A 125 21.906 -5.850 1.261 1.00 0.00 H new ATOM 0 HH11 ARG A 125 20.125 -2.831 0.824 1.00 0.00 H new ATOM 0 HH12 ARG A 125 21.050 -2.357 -0.605 1.00 0.00 H new ATOM 0 HH21 ARG A 125 23.088 -5.234 -0.578 1.00 0.00 H new ATOM 0 HH22 ARG A 125 22.719 -3.711 -1.394 1.00 0.00 H new ATOM 1901 N GLY A 126 17.048 -9.013 1.077 1.00 0.00 N ATOM 1902 CA GLY A 126 16.908 -10.416 1.421 1.00 0.00 C ATOM 1903 C GLY A 126 15.827 -11.110 0.615 1.00 0.00 C ATOM 1904 O GLY A 126 15.682 -12.331 0.681 1.00 0.00 O ATOM 0 H GLY A 126 17.123 -8.823 0.078 1.00 0.00 H new ATOM 0 HA2 GLY A 126 17.859 -10.923 1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 126 16.678 -10.505 2.483 1.00 0.00 H new ATOM 1908 N CYS A 127 15.066 -10.330 -0.146 1.00 0.00 N ATOM 1909 CA CYS A 127 13.993 -10.873 -0.967 1.00 0.00 C ATOM 1910 C CYS A 127 14.543 -11.643 -2.162 1.00 0.00 C ATOM 1911 O CYS A 127 15.755 -11.808 -2.302 1.00 0.00 O ATOM 1912 CB CYS A 127 13.081 -9.758 -1.433 1.00 0.00 C ATOM 1913 SG CYS A 127 11.679 -9.426 -0.317 1.00 0.00 S ATOM 0 H CYS A 127 15.174 -9.318 -0.210 1.00 0.00 H new ATOM 0 HA CYS A 127 13.420 -11.571 -0.357 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.667 -8.846 -1.543 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.694 -10.009 -2.420 1.00 0.00 H new ATOM 1918 N ARG A 128 13.644 -12.112 -3.020 1.00 0.00 N ATOM 1919 CA ARG A 128 14.039 -12.868 -4.204 1.00 0.00 C ATOM 1920 C ARG A 128 13.238 -12.426 -5.425 1.00 0.00 C ATOM 1921 O ARG A 128 12.138 -12.921 -5.672 1.00 0.00 O ATOM 1922 CB ARG A 128 13.842 -14.366 -3.966 1.00 0.00 C ATOM 1923 CG ARG A 128 14.970 -15.010 -3.175 1.00 0.00 C ATOM 1924 CD ARG A 128 14.443 -16.050 -2.199 1.00 0.00 C ATOM 1925 NE ARG A 128 15.431 -17.088 -1.919 1.00 0.00 N ATOM 1926 CZ ARG A 128 15.496 -17.753 -0.769 1.00 0.00 C ATOM 1927 NH1 ARG A 128 14.634 -17.489 0.203 1.00 0.00 N ATOM 1928 NH2 ARG A 128 16.424 -18.683 -0.592 1.00 0.00 N ATOM 0 H ARG A 128 12.637 -11.982 -2.919 1.00 0.00 H new ATOM 0 HA ARG A 128 15.094 -12.672 -4.394 1.00 0.00 H new ATOM 0 HB2 ARG A 128 12.903 -14.521 -3.435 1.00 0.00 H new ATOM 0 HB3 ARG A 128 13.751 -14.869 -4.928 1.00 0.00 H new ATOM 0 HG2 ARG A 128 15.676 -15.478 -3.861 1.00 0.00 H new ATOM 0 HG3 ARG A 128 15.518 -14.242 -2.629 1.00 0.00 H new ATOM 0 HD2 ARG A 128 14.157 -15.561 -1.268 1.00 0.00 H new ATOM 0 HD3 ARG A 128 13.542 -16.508 -2.608 1.00 0.00 H new ATOM 0 HE ARG A 128 16.109 -17.316 -2.646 1.00 0.00 H new ATOM 0 HH11 ARG A 128 13.919 -16.774 0.070 1.00 0.00 H new ATOM 0 HH12 ARG A 128 14.686 -18.001 1.084 1.00 0.00 H new ATOM 0 HH21 ARG A 128 17.089 -18.889 -1.338 1.00 0.00 H new ATOM 0 HH22 ARG A 128 16.473 -19.193 0.290 1.00 0.00 H new ATOM 1942 N LEU A 129 13.799 -11.491 -6.186 1.00 0.00 N ATOM 1943 CA LEU A 129 13.138 -10.981 -7.383 1.00 0.00 C ATOM 1944 C LEU A 129 14.161 -10.599 -8.447 1.00 0.00 C ATOM 1945 O LEU A 129 13.920 -10.903 -9.634 1.00 0.00 O ATOM 1946 CB LEU A 129 12.270 -9.770 -7.035 1.00 0.00 C ATOM 1947 CG LEU A 129 12.951 -8.714 -6.163 1.00 0.00 C ATOM 1948 CD1 LEU A 129 12.777 -7.329 -6.768 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.395 -8.753 -4.748 1.00 0.00 C ATOM 1950 OXT LEU A 129 15.195 -10.000 -8.085 1.00 0.00 O ATOM 0 H LEU A 129 14.709 -11.071 -5.995 1.00 0.00 H new ATOM 0 HA LEU A 129 12.503 -11.772 -7.782 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.943 -9.298 -7.962 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.374 -10.120 -6.522 1.00 0.00 H new ATOM 0 HG LEU A 129 14.017 -8.938 -6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 129 13.268 -6.591 -6.134 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.223 -7.308 -7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 129 11.715 -7.095 -6.842 1.00 0.00 H new ATOM 0 HD21 LEU A 129 12.891 -7.995 -4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.324 -8.554 -4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.572 -9.737 -4.315 1.00 0.00 H new