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= -1.11 X(o=-1.1,f=-0.89) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0.00802 USER MOD Set 2.1: A 74 ASN : amide:sc= -5.55! C(o=-5.4!,f=-9.3!) USER MOD Set 2.2: A 77 ASN : amide:sc= 0.169 K(o=-5.4,f=-10!) USER MOD Set 3.1: A 51 THR OG1 : rot -19:sc= 0.444 USER MOD Set 3.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 46 ASN : amide:sc= -0.0288 K(o=0.43,f=-1.8) USER MOD Set 4.2: A 50 SER OG : rot 46:sc= 0.456 USER MOD Set 5.1: A 24 SER OG : rot -24:sc= 0.999 USER MOD Set 5.2: A 27 ASN : amide:sc= -3.26! C(o=-2.3!,f=-5.6!) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -152:sc= -11! (180deg=-13.7!) USER MOD Single : A 13 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00662) USER MOD Single : A 19 ASN : amide:sc= -1.25 K(o=-1.3,f=-3.8!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00177) USER MOD Single : A 36 SER OG : rot -93:sc= -2.25! USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.24 K(o=-0.24,f=-4!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 4:sc= 0.778! USER MOD Single : A 44 ASN : amide:sc=-0.00536 X(o=-0.0054,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.493 X(o=-0.49,f=-0.49) USER MOD Single : A 59 ASN : amide:sc= -6.56! C(o=-6.6!,f=-2.3!) USER MOD Single : A 60 SER OG : rot -170:sc= 0.0107 USER MOD Single : A 65 ASN : amide:sc= -0.0298 X(o=-0.03,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -100:sc= -0.348 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -64:sc= 0.943 USER MOD Single : A 91 SER OG : rot -170:sc= -1.32 USER MOD Single : A 93 ASN : amide:sc= 0.109 X(o=0.11,f=-0.24) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.115) USER MOD Single : A 100 SER OG : rot 180:sc= -0.0709 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl -115:sc= -0.333 (180deg=-2.44) USER MOD Single : A 106 ASN : amide:sc= -0.258 K(o=-0.26,f=-1) USER MOD Single : A 113 ASN : amide:sc= -0.012 X(o=-0.012,f=-0.21) USER MOD Single : A 116 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0114) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=-0.077) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.214 -10.482 1.743 1.00 0.00 N ATOM 2 CA LYS A 1 -5.940 -11.087 1.277 1.00 0.00 C ATOM 3 C LYS A 1 -4.878 -10.020 1.033 1.00 0.00 C ATOM 4 O LYS A 1 -4.997 -9.213 0.112 1.00 0.00 O ATOM 5 CB LYS A 1 -6.212 -11.864 -0.013 1.00 0.00 C ATOM 6 CG LYS A 1 -6.336 -13.365 0.197 1.00 0.00 C ATOM 7 CD LYS A 1 -7.128 -14.020 -0.923 1.00 0.00 C ATOM 8 CE LYS A 1 -6.211 -14.583 -1.997 1.00 0.00 C ATOM 9 NZ LYS A 1 -6.879 -15.647 -2.796 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.917 -11.232 1.901 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.050 -9.969 2.633 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.568 -9.821 1.023 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.561 -11.757 2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.131 -11.491 -0.465 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.407 -11.670 -0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.342 -13.810 0.250 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.824 -13.561 1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -7.745 -14.820 -0.514 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.805 -13.290 -1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.891 -13.779 -2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.313 -14.989 -1.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -6.221 -16.005 -3.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.162 -16.427 -2.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -7.722 -15.254 -3.261 1.00 0.00 H new ATOM 25 N VAL A 2 -3.843 -10.022 1.866 1.00 0.00 N ATOM 26 CA VAL A 2 -2.756 -9.054 1.748 1.00 0.00 C ATOM 27 C VAL A 2 -1.536 -9.683 1.078 1.00 0.00 C ATOM 28 O VAL A 2 -1.242 -10.859 1.290 1.00 0.00 O ATOM 29 CB VAL A 2 -2.350 -8.510 3.137 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.062 -7.706 3.058 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.462 -7.660 3.727 1.00 0.00 C ATOM 0 H VAL A 2 -3.733 -10.685 2.633 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.117 -8.230 1.132 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.179 -9.366 3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.802 -7.337 4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.259 -8.342 2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.201 -6.863 2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.156 -7.287 4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.667 -6.818 3.065 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.363 -8.264 3.835 1.00 0.00 H new ATOM 41 N PHE A 3 -0.810 -8.888 0.294 1.00 0.00 N ATOM 42 CA PHE A 3 0.393 -9.363 -0.372 1.00 0.00 C ATOM 43 C PHE A 3 1.541 -9.446 0.621 1.00 0.00 C ATOM 44 O PHE A 3 1.471 -8.888 1.715 1.00 0.00 O ATOM 45 CB PHE A 3 0.805 -8.410 -1.499 1.00 0.00 C ATOM 46 CG PHE A 3 -0.108 -8.406 -2.688 1.00 0.00 C ATOM 47 CD1 PHE A 3 -0.512 -9.590 -3.280 1.00 0.00 C ATOM 48 CD2 PHE A 3 -0.547 -7.208 -3.223 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.338 -9.578 -4.386 1.00 0.00 C ATOM 50 CE2 PHE A 3 -1.374 -7.189 -4.325 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.770 -8.375 -4.909 1.00 0.00 C ATOM 0 H PHE A 3 -1.037 -7.911 0.107 1.00 0.00 H new ATOM 0 HA PHE A 3 0.176 -10.348 -0.786 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.859 -7.398 -1.098 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.809 -8.676 -1.831 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -0.178 -10.533 -2.873 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -0.238 -6.277 -2.772 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -1.646 -10.508 -4.841 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -1.712 -6.247 -4.731 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.417 -8.362 -5.774 1.00 0.00 H new ATOM 61 N GLY A 4 2.606 -10.121 0.222 1.00 0.00 N ATOM 62 CA GLY A 4 3.769 -10.238 1.075 1.00 0.00 C ATOM 63 C GLY A 4 4.738 -9.099 0.838 1.00 0.00 C ATOM 64 O GLY A 4 4.338 -8.026 0.384 1.00 0.00 O ATOM 0 H GLY A 4 2.686 -10.591 -0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.458 -10.243 2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.268 -11.189 0.886 1.00 0.00 H new ATOM 68 N ARG A 5 6.012 -9.324 1.129 1.00 0.00 N ATOM 69 CA ARG A 5 7.023 -8.294 0.926 1.00 0.00 C ATOM 70 C ARG A 5 7.623 -8.396 -0.465 1.00 0.00 C ATOM 71 O ARG A 5 7.592 -7.434 -1.233 1.00 0.00 O ATOM 72 CB ARG A 5 8.122 -8.394 1.987 1.00 0.00 C ATOM 73 CG ARG A 5 8.537 -9.822 2.304 1.00 0.00 C ATOM 74 CD ARG A 5 7.922 -10.304 3.608 1.00 0.00 C ATOM 75 NE ARG A 5 8.496 -9.626 4.767 1.00 0.00 N ATOM 76 CZ ARG A 5 9.436 -10.157 5.543 1.00 0.00 C ATOM 77 NH1 ARG A 5 9.908 -11.369 5.283 1.00 0.00 N ATOM 78 NH2 ARG A 5 9.906 -9.476 6.578 1.00 0.00 N ATOM 0 H ARG A 5 6.369 -10.203 1.504 1.00 0.00 H new ATOM 0 HA ARG A 5 6.538 -7.323 1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.996 -7.838 1.646 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.776 -7.914 2.902 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.231 -10.480 1.491 1.00 0.00 H new ATOM 0 HG3 ARG A 5 9.623 -9.880 2.369 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.845 -10.135 3.585 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.074 -11.379 3.705 1.00 0.00 H new ATOM 0 HE ARG A 5 8.156 -8.691 4.994 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.550 -11.896 4.486 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.629 -11.774 5.880 1.00 0.00 H new ATOM 0 HH21 ARG A 5 9.547 -8.543 6.780 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.627 -9.885 7.172 1.00 0.00 H new ATOM 92 N CYS A 6 8.167 -9.559 -0.794 1.00 0.00 N ATOM 93 CA CYS A 6 8.762 -9.755 -2.101 1.00 0.00 C ATOM 94 C CYS A 6 7.714 -10.155 -3.124 1.00 0.00 C ATOM 95 O CYS A 6 7.784 -9.738 -4.271 1.00 0.00 O ATOM 96 CB CYS A 6 9.865 -10.798 -2.055 1.00 0.00 C ATOM 97 SG CYS A 6 10.891 -10.733 -0.552 1.00 0.00 S ATOM 0 H CYS A 6 8.207 -10.371 -0.179 1.00 0.00 H new ATOM 0 HA CYS A 6 9.199 -8.803 -2.403 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.417 -11.788 -2.133 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.508 -10.670 -2.926 1.00 0.00 H new ATOM 102 N GLU A 7 6.735 -10.952 -2.707 1.00 0.00 N ATOM 103 CA GLU A 7 5.677 -11.367 -3.621 1.00 0.00 C ATOM 104 C GLU A 7 5.189 -10.149 -4.393 1.00 0.00 C ATOM 105 O GLU A 7 5.157 -10.137 -5.626 1.00 0.00 O ATOM 106 CB GLU A 7 4.518 -12.007 -2.852 1.00 0.00 C ATOM 107 CG GLU A 7 4.464 -13.521 -2.984 1.00 0.00 C ATOM 108 CD GLU A 7 3.083 -14.024 -3.353 1.00 0.00 C ATOM 109 OE1 GLU A 7 2.767 -14.061 -4.560 1.00 0.00 O ATOM 110 OE2 GLU A 7 2.315 -14.381 -2.434 1.00 0.00 O ATOM 0 H GLU A 7 6.652 -11.318 -1.759 1.00 0.00 H new ATOM 0 HA GLU A 7 6.070 -12.111 -4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.604 -11.745 -1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.579 -11.585 -3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.178 -13.842 -3.742 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.773 -13.976 -2.043 1.00 0.00 H new ATOM 117 N LEU A 8 4.845 -9.111 -3.641 1.00 0.00 N ATOM 118 CA LEU A 8 4.390 -7.861 -4.219 1.00 0.00 C ATOM 119 C LEU A 8 5.506 -7.206 -5.029 1.00 0.00 C ATOM 120 O LEU A 8 5.254 -6.669 -6.104 1.00 0.00 O ATOM 121 CB LEU A 8 3.914 -6.913 -3.109 1.00 0.00 C ATOM 122 CG LEU A 8 3.321 -5.574 -3.573 1.00 0.00 C ATOM 123 CD1 LEU A 8 4.414 -4.531 -3.738 1.00 0.00 C ATOM 124 CD2 LEU A 8 2.539 -5.740 -4.869 1.00 0.00 C ATOM 0 H LEU A 8 4.874 -9.115 -2.621 1.00 0.00 H new ATOM 0 HA LEU A 8 3.556 -8.070 -4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.164 -7.432 -2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.757 -6.705 -2.450 1.00 0.00 H new ATOM 0 HG LEU A 8 2.629 -5.230 -2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.973 -3.590 -4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.920 -4.380 -2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.134 -4.873 -4.481 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.131 -4.776 -5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.202 -6.116 -5.648 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.724 -6.447 -4.714 1.00 0.00 H new ATOM 136 N ALA A 9 6.741 -7.250 -4.509 1.00 0.00 N ATOM 137 CA ALA A 9 7.877 -6.643 -5.202 1.00 0.00 C ATOM 138 C ALA A 9 8.131 -7.302 -6.551 1.00 0.00 C ATOM 139 O ALA A 9 8.206 -6.623 -7.573 1.00 0.00 O ATOM 140 CB ALA A 9 9.126 -6.696 -4.343 1.00 0.00 C ATOM 0 H ALA A 9 6.973 -7.695 -3.621 1.00 0.00 H new ATOM 0 HA ALA A 9 7.624 -5.599 -5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.957 -6.239 -4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.952 -6.153 -3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.368 -7.734 -4.117 1.00 0.00 H new ATOM 146 N ALA A 10 8.256 -8.626 -6.557 1.00 0.00 N ATOM 147 CA ALA A 10 8.486 -9.359 -7.791 1.00 0.00 C ATOM 148 C ALA A 10 7.458 -8.945 -8.829 1.00 0.00 C ATOM 149 O ALA A 10 7.770 -8.817 -10.014 1.00 0.00 O ATOM 150 CB ALA A 10 8.421 -10.858 -7.541 1.00 0.00 C ATOM 0 H ALA A 10 8.202 -9.209 -5.722 1.00 0.00 H new ATOM 0 HA ALA A 10 9.482 -9.122 -8.165 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.595 -11.391 -8.476 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.184 -11.139 -6.815 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.437 -11.120 -7.153 1.00 0.00 H new ATOM 156 N ALA A 11 6.230 -8.715 -8.369 1.00 0.00 N ATOM 157 CA ALA A 11 5.163 -8.291 -9.258 1.00 0.00 C ATOM 158 C ALA A 11 5.464 -6.917 -9.815 1.00 0.00 C ATOM 159 O ALA A 11 5.176 -6.615 -10.973 1.00 0.00 O ATOM 160 CB ALA A 11 3.823 -8.307 -8.540 1.00 0.00 C ATOM 0 H ALA A 11 5.955 -8.816 -7.392 1.00 0.00 H new ATOM 0 HA ALA A 11 5.102 -8.994 -10.089 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.039 -7.986 -9.226 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.609 -9.317 -8.192 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.859 -7.629 -7.687 1.00 0.00 H new ATOM 166 N MET A 12 6.060 -6.103 -8.974 1.00 0.00 N ATOM 167 CA MET A 12 6.438 -4.743 -9.354 1.00 0.00 C ATOM 168 C MET A 12 7.428 -4.775 -10.509 1.00 0.00 C ATOM 169 O MET A 12 7.240 -4.099 -11.521 1.00 0.00 O ATOM 170 CB MET A 12 7.073 -3.999 -8.180 1.00 0.00 C ATOM 171 CG MET A 12 6.348 -4.191 -6.864 1.00 0.00 C ATOM 172 SD MET A 12 4.714 -3.434 -6.863 1.00 0.00 S ATOM 173 CE MET A 12 5.138 -1.754 -7.308 1.00 0.00 C ATOM 0 H MET A 12 6.299 -6.353 -8.014 1.00 0.00 H new ATOM 0 HA MET A 12 5.530 -4.221 -9.657 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.104 -4.333 -8.067 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.106 -2.935 -8.413 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.252 -5.257 -6.658 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.944 -3.763 -6.058 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.400 -1.070 -6.890 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.124 -1.510 -6.912 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.149 -1.657 -8.394 1.00 0.00 H new ATOM 183 N LYS A 13 8.483 -5.569 -10.345 1.00 0.00 N ATOM 184 CA LYS A 13 9.511 -5.700 -11.368 1.00 0.00 C ATOM 185 C LYS A 13 8.875 -6.024 -12.711 1.00 0.00 C ATOM 186 O LYS A 13 9.172 -5.388 -13.722 1.00 0.00 O ATOM 187 CB LYS A 13 10.512 -6.791 -10.984 1.00 0.00 C ATOM 188 CG LYS A 13 11.928 -6.513 -11.462 1.00 0.00 C ATOM 189 CD LYS A 13 12.657 -7.798 -11.821 1.00 0.00 C ATOM 190 CE LYS A 13 13.925 -7.517 -12.611 1.00 0.00 C ATOM 191 NZ LYS A 13 14.920 -6.751 -11.811 1.00 0.00 N ATOM 0 H LYS A 13 8.647 -6.132 -9.510 1.00 0.00 H new ATOM 0 HA LYS A 13 10.043 -4.752 -11.448 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.519 -6.901 -9.900 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.177 -7.742 -11.399 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.897 -5.856 -12.331 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.479 -5.986 -10.683 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.908 -8.342 -10.910 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.998 -8.440 -12.405 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.367 -8.459 -12.934 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.675 -6.957 -13.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.789 -6.624 -12.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.526 -5.820 -11.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.141 -7.273 -10.939 1.00 0.00 H new ATOM 205 N ARG A 14 7.990 -7.014 -12.708 1.00 0.00 N ATOM 206 CA ARG A 14 7.302 -7.418 -13.922 1.00 0.00 C ATOM 207 C ARG A 14 6.449 -6.271 -14.440 1.00 0.00 C ATOM 208 O ARG A 14 6.331 -6.069 -15.649 1.00 0.00 O ATOM 209 CB ARG A 14 6.428 -8.646 -13.658 1.00 0.00 C ATOM 210 CG ARG A 14 7.111 -9.962 -13.992 1.00 0.00 C ATOM 211 CD ARG A 14 6.169 -10.911 -14.715 1.00 0.00 C ATOM 212 NE ARG A 14 5.441 -11.771 -13.785 1.00 0.00 N ATOM 213 CZ ARG A 14 5.906 -12.934 -13.336 1.00 0.00 C ATOM 214 NH1 ARG A 14 7.094 -13.372 -13.730 1.00 0.00 N ATOM 215 NH2 ARG A 14 5.183 -13.657 -12.493 1.00 0.00 N ATOM 0 H ARG A 14 7.734 -7.549 -11.878 1.00 0.00 H new ATOM 0 HA ARG A 14 8.046 -7.678 -14.676 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.135 -8.654 -12.608 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.512 -8.563 -14.243 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.985 -9.772 -14.614 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.468 -10.431 -13.075 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.459 -10.335 -15.308 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.739 -11.528 -15.410 1.00 0.00 H new ATOM 0 HE ARG A 14 4.524 -11.462 -13.462 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.653 -12.817 -14.378 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.449 -14.264 -13.385 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.269 -13.322 -12.188 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.540 -14.548 -12.149 1.00 0.00 H new ATOM 229 N HIS A 15 5.832 -5.538 -13.517 1.00 0.00 N ATOM 230 CA HIS A 15 4.962 -4.429 -13.877 1.00 0.00 C ATOM 231 C HIS A 15 5.758 -3.199 -14.293 1.00 0.00 C ATOM 232 O HIS A 15 5.177 -2.204 -14.729 1.00 0.00 O ATOM 233 CB HIS A 15 4.051 -4.077 -12.701 1.00 0.00 C ATOM 234 CG HIS A 15 2.806 -4.907 -12.631 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.078 -5.071 -11.472 1.00 0.00 N ATOM 236 CD2 HIS A 15 2.157 -5.618 -13.584 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.037 -5.848 -11.714 1.00 0.00 C ATOM 238 NE2 HIS A 15 1.062 -6.192 -12.988 1.00 0.00 N ATOM 0 H HIS A 15 5.921 -5.695 -12.513 1.00 0.00 H new ATOM 0 HA HIS A 15 4.361 -4.745 -14.729 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.609 -4.197 -11.772 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.772 -3.026 -12.772 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.447 -5.715 -14.620 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.293 -6.150 -10.992 1.00 0.00 H new ATOM 0 HE2 HIS A 15 0.378 -6.788 -13.454 1.00 0.00 H new ATOM 247 N GLY A 16 7.086 -3.273 -14.214 1.00 0.00 N ATOM 248 CA GLY A 16 7.913 -2.163 -14.645 1.00 0.00 C ATOM 249 C GLY A 16 7.968 -0.984 -13.692 1.00 0.00 C ATOM 250 O GLY A 16 8.239 0.133 -14.132 1.00 0.00 O ATOM 0 H GLY A 16 7.600 -4.080 -13.860 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.928 -2.528 -14.803 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.546 -1.812 -15.610 1.00 0.00 H new ATOM 254 N LEU A 17 7.720 -1.187 -12.397 1.00 0.00 N ATOM 255 CA LEU A 17 7.769 -0.062 -11.470 1.00 0.00 C ATOM 256 C LEU A 17 9.163 0.113 -10.900 1.00 0.00 C ATOM 257 O LEU A 17 9.442 1.068 -10.180 1.00 0.00 O ATOM 258 CB LEU A 17 6.752 -0.218 -10.337 1.00 0.00 C ATOM 259 CG LEU A 17 5.384 -0.789 -10.729 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.292 -0.170 -9.873 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.074 -0.555 -12.203 1.00 0.00 C ATOM 0 H LEU A 17 7.491 -2.089 -11.979 1.00 0.00 H new ATOM 0 HA LEU A 17 7.508 0.832 -12.037 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.186 -0.863 -9.573 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.597 0.759 -9.879 1.00 0.00 H new ATOM 0 HG LEU A 17 5.419 -1.865 -10.558 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.326 -0.584 -10.161 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.483 -0.392 -8.823 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.283 0.910 -10.020 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.096 -0.974 -12.440 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.069 0.515 -12.408 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.835 -1.039 -12.816 1.00 0.00 H new ATOM 273 N ASP A 18 10.036 -0.810 -11.239 1.00 0.00 N ATOM 274 CA ASP A 18 11.413 -0.757 -10.769 1.00 0.00 C ATOM 275 C ASP A 18 12.188 0.333 -11.505 1.00 0.00 C ATOM 276 O ASP A 18 12.680 0.132 -12.617 1.00 0.00 O ATOM 277 CB ASP A 18 12.093 -2.119 -10.926 1.00 0.00 C ATOM 278 CG ASP A 18 13.595 -2.009 -11.114 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.281 -1.574 -10.165 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.084 -2.360 -12.209 1.00 0.00 O ATOM 0 H ASP A 18 9.822 -1.608 -11.838 1.00 0.00 H new ATOM 0 HA ASP A 18 11.406 -0.509 -9.708 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.885 -2.727 -10.046 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.662 -2.639 -11.781 1.00 0.00 H new ATOM 285 N ASN A 19 12.280 1.490 -10.860 1.00 0.00 N ATOM 286 CA ASN A 19 12.983 2.648 -11.405 1.00 0.00 C ATOM 287 C ASN A 19 12.323 3.150 -12.670 1.00 0.00 C ATOM 288 O ASN A 19 12.983 3.684 -13.563 1.00 0.00 O ATOM 289 CB ASN A 19 14.456 2.322 -11.662 1.00 0.00 C ATOM 290 CG ASN A 19 15.390 3.368 -11.085 1.00 0.00 C ATOM 291 OD1 ASN A 19 15.133 3.925 -10.018 1.00 0.00 O ATOM 292 ND2 ASN A 19 16.482 3.640 -11.791 1.00 0.00 N ATOM 0 H ASN A 19 11.868 1.653 -9.941 1.00 0.00 H new ATOM 0 HA ASN A 19 12.930 3.443 -10.661 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.691 1.350 -11.228 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.625 2.241 -12.736 1.00 0.00 H new ATOM 0 HD21 ASN A 19 17.148 4.335 -11.453 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.655 3.154 -12.671 1.00 0.00 H new ATOM 299 N TYR A 20 11.011 3.010 -12.723 1.00 0.00 N ATOM 300 CA TYR A 20 10.257 3.488 -13.864 1.00 0.00 C ATOM 301 C TYR A 20 10.379 4.996 -13.886 1.00 0.00 C ATOM 302 O TYR A 20 10.885 5.564 -12.918 1.00 0.00 O ATOM 303 CB TYR A 20 8.788 3.069 -13.752 1.00 0.00 C ATOM 304 CG TYR A 20 7.952 3.428 -14.961 1.00 0.00 C ATOM 305 CD1 TYR A 20 8.125 2.768 -16.171 1.00 0.00 C ATOM 306 CD2 TYR A 20 6.989 4.426 -14.889 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.361 3.094 -17.276 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.221 4.756 -15.990 1.00 0.00 C ATOM 309 CZ TYR A 20 6.412 4.087 -17.180 1.00 0.00 C ATOM 310 OH TYR A 20 5.650 4.414 -18.279 1.00 0.00 O ATOM 0 H TYR A 20 10.449 2.572 -11.993 1.00 0.00 H new ATOM 0 HA TYR A 20 10.647 3.059 -14.787 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.739 1.991 -13.596 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.353 3.539 -12.870 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.868 1.988 -16.250 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.838 4.953 -13.958 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.508 2.572 -18.210 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.475 5.534 -15.918 1.00 0.00 H new ATOM 0 HH TYR A 20 5.027 5.133 -18.043 1.00 0.00 H new ATOM 320 N ARG A 21 9.958 5.638 -14.975 1.00 0.00 N ATOM 321 CA ARG A 21 10.049 7.091 -15.085 1.00 0.00 C ATOM 322 C ARG A 21 10.040 7.722 -13.697 1.00 0.00 C ATOM 323 O ARG A 21 10.760 8.682 -13.425 1.00 0.00 O ATOM 324 CB ARG A 21 8.889 7.638 -15.919 1.00 0.00 C ATOM 325 CG ARG A 21 9.290 8.772 -16.848 1.00 0.00 C ATOM 326 CD ARG A 21 9.439 8.291 -18.282 1.00 0.00 C ATOM 327 NE ARG A 21 9.220 9.366 -19.246 1.00 0.00 N ATOM 328 CZ ARG A 21 8.466 9.240 -20.333 1.00 0.00 C ATOM 329 NH1 ARG A 21 7.859 8.090 -20.594 1.00 0.00 N ATOM 330 NH2 ARG A 21 8.317 10.265 -21.161 1.00 0.00 N ATOM 0 H ARG A 21 9.553 5.177 -15.789 1.00 0.00 H new ATOM 0 HA ARG A 21 10.985 7.344 -15.584 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.464 6.827 -16.511 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.104 7.989 -15.249 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.540 9.562 -16.804 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.231 9.206 -16.509 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.437 7.876 -18.423 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.729 7.486 -18.470 1.00 0.00 H new ATOM 0 HE ARG A 21 9.671 10.265 -19.075 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.970 7.299 -19.960 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.281 7.996 -21.429 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.781 11.151 -20.964 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.738 10.167 -21.995 1.00 0.00 H new ATOM 344 N GLY A 22 9.216 7.150 -12.822 1.00 0.00 N ATOM 345 CA GLY A 22 9.108 7.628 -11.463 1.00 0.00 C ATOM 346 C GLY A 22 10.252 7.155 -10.586 1.00 0.00 C ATOM 347 O GLY A 22 11.340 7.732 -10.619 1.00 0.00 O ATOM 0 H GLY A 22 8.616 6.354 -13.039 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.084 8.718 -11.466 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.164 7.289 -11.036 1.00 0.00 H new ATOM 351 N TYR A 23 10.001 6.131 -9.768 1.00 0.00 N ATOM 352 CA TYR A 23 11.033 5.640 -8.857 1.00 0.00 C ATOM 353 C TYR A 23 11.245 4.133 -8.914 1.00 0.00 C ATOM 354 O TYR A 23 10.609 3.419 -9.689 1.00 0.00 O ATOM 355 CB TYR A 23 10.708 6.067 -7.427 1.00 0.00 C ATOM 356 CG TYR A 23 10.940 7.540 -7.174 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.135 8.500 -7.773 1.00 0.00 C ATOM 358 CD2 TYR A 23 11.965 7.969 -6.342 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.344 9.847 -7.551 1.00 0.00 C ATOM 360 CE2 TYR A 23 12.180 9.316 -6.115 1.00 0.00 C ATOM 361 CZ TYR A 23 11.367 10.250 -6.722 1.00 0.00 C ATOM 362 OH TYR A 23 11.579 11.590 -6.498 1.00 0.00 O ATOM 0 H TYR A 23 9.111 5.635 -9.718 1.00 0.00 H new ATOM 0 HA TYR A 23 11.969 6.089 -9.188 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.666 5.828 -7.212 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.317 5.486 -6.735 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.332 8.188 -8.424 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.604 7.240 -5.865 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.708 10.580 -8.025 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.981 9.635 -5.465 1.00 0.00 H new ATOM 0 HH TYR A 23 12.338 11.704 -5.889 1.00 0.00 H new ATOM 372 N SER A 24 12.188 3.675 -8.084 1.00 0.00 N ATOM 373 CA SER A 24 12.563 2.271 -8.012 1.00 0.00 C ATOM 374 C SER A 24 11.665 1.474 -7.074 1.00 0.00 C ATOM 375 O SER A 24 10.917 2.033 -6.273 1.00 0.00 O ATOM 376 CB SER A 24 14.018 2.141 -7.560 1.00 0.00 C ATOM 377 OG SER A 24 14.169 2.531 -6.206 1.00 0.00 O ATOM 0 H SER A 24 12.710 4.274 -7.444 1.00 0.00 H new ATOM 0 HA SER A 24 12.442 1.857 -9.013 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.350 1.110 -7.684 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.655 2.759 -8.193 1.00 0.00 H new ATOM 0 HG SER A 24 13.446 3.145 -5.960 1.00 0.00 H new ATOM 383 N LEU A 25 11.764 0.155 -7.202 1.00 0.00 N ATOM 384 CA LEU A 25 10.996 -0.786 -6.402 1.00 0.00 C ATOM 385 C LEU A 25 10.892 -0.356 -4.938 1.00 0.00 C ATOM 386 O LEU A 25 9.793 -0.232 -4.401 1.00 0.00 O ATOM 387 CB LEU A 25 11.649 -2.163 -6.496 1.00 0.00 C ATOM 388 CG LEU A 25 10.932 -3.147 -7.407 1.00 0.00 C ATOM 389 CD1 LEU A 25 11.930 -4.085 -8.069 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.898 -3.933 -6.620 1.00 0.00 C ATOM 0 H LEU A 25 12.388 -0.294 -7.873 1.00 0.00 H new ATOM 0 HA LEU A 25 9.981 -0.816 -6.797 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.673 -2.041 -6.850 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.707 -2.591 -5.495 1.00 0.00 H new ATOM 0 HG LEU A 25 10.419 -2.588 -8.190 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.399 -4.782 -8.717 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.637 -3.505 -8.662 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.470 -4.641 -7.303 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.392 -4.634 -7.283 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.392 -4.483 -5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.168 -3.246 -6.192 1.00 0.00 H new ATOM 402 N GLY A 26 12.040 -0.157 -4.294 1.00 0.00 N ATOM 403 CA GLY A 26 12.062 0.232 -2.890 1.00 0.00 C ATOM 404 C GLY A 26 11.021 1.279 -2.532 1.00 0.00 C ATOM 405 O GLY A 26 10.432 1.230 -1.451 1.00 0.00 O ATOM 0 H GLY A 26 12.961 -0.258 -4.721 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.902 -0.653 -2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.052 0.617 -2.644 1.00 0.00 H new ATOM 409 N ASN A 27 10.799 2.230 -3.432 1.00 0.00 N ATOM 410 CA ASN A 27 9.826 3.295 -3.194 1.00 0.00 C ATOM 411 C ASN A 27 8.397 2.758 -3.249 1.00 0.00 C ATOM 412 O ASN A 27 7.526 3.203 -2.503 1.00 0.00 O ATOM 413 CB ASN A 27 10.007 4.411 -4.222 1.00 0.00 C ATOM 414 CG ASN A 27 11.464 4.785 -4.414 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.136 4.271 -5.310 1.00 0.00 O ATOM 416 ND2 ASN A 27 11.961 5.682 -3.572 1.00 0.00 N ATOM 0 H ASN A 27 11.277 2.287 -4.331 1.00 0.00 H new ATOM 0 HA ASN A 27 10.000 3.696 -2.195 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.586 4.095 -5.177 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.447 5.290 -3.903 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.936 5.972 -3.652 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.368 6.082 -2.845 1.00 0.00 H new ATOM 423 N TRP A 28 8.170 1.800 -4.139 1.00 0.00 N ATOM 424 CA TRP A 28 6.853 1.192 -4.305 1.00 0.00 C ATOM 425 C TRP A 28 6.494 0.295 -3.131 1.00 0.00 C ATOM 426 O TRP A 28 5.366 0.327 -2.641 1.00 0.00 O ATOM 427 CB TRP A 28 6.816 0.390 -5.597 1.00 0.00 C ATOM 428 CG TRP A 28 7.043 1.246 -6.791 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.216 1.419 -7.454 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.075 2.060 -7.456 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.048 2.305 -8.484 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.738 2.709 -8.514 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.714 2.303 -7.258 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.085 3.587 -9.373 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.061 3.173 -8.110 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.747 3.808 -9.159 1.00 0.00 C ATOM 0 H TRP A 28 8.885 1.424 -4.762 1.00 0.00 H new ATOM 0 HA TRP A 28 6.117 1.995 -4.347 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.576 -0.391 -5.561 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.851 -0.109 -5.687 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.146 0.929 -7.205 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.779 2.614 -9.125 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.181 1.819 -6.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.611 4.077 -10.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.008 3.368 -7.968 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.211 4.483 -9.810 1.00 0.00 H new ATOM 447 N VAL A 29 7.449 -0.514 -2.688 1.00 0.00 N ATOM 448 CA VAL A 29 7.218 -1.427 -1.579 1.00 0.00 C ATOM 449 C VAL A 29 6.989 -0.683 -0.275 1.00 0.00 C ATOM 450 O VAL A 29 6.028 -0.956 0.441 1.00 0.00 O ATOM 451 CB VAL A 29 8.407 -2.393 -1.408 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.193 -3.313 -0.217 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.627 -3.192 -2.684 1.00 0.00 C ATOM 0 H VAL A 29 8.390 -0.555 -3.080 1.00 0.00 H new ATOM 0 HA VAL A 29 6.318 -1.994 -1.818 1.00 0.00 H new ATOM 0 HB VAL A 29 9.304 -1.805 -1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.046 -3.985 -0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.094 -2.717 0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.286 -3.898 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.470 -3.870 -2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.730 -3.769 -2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.839 -2.511 -3.508 1.00 0.00 H new ATOM 463 N CYS A 30 7.879 0.245 0.040 1.00 0.00 N ATOM 464 CA CYS A 30 7.767 1.010 1.270 1.00 0.00 C ATOM 465 C CYS A 30 6.466 1.808 1.312 1.00 0.00 C ATOM 466 O CYS A 30 5.776 1.830 2.333 1.00 0.00 O ATOM 467 CB CYS A 30 8.962 1.947 1.425 1.00 0.00 C ATOM 468 SG CYS A 30 8.957 2.888 2.981 1.00 0.00 S ATOM 0 H CYS A 30 8.684 0.486 -0.538 1.00 0.00 H new ATOM 0 HA CYS A 30 7.758 0.304 2.100 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.880 1.363 1.367 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.975 2.646 0.588 1.00 0.00 H new ATOM 473 N ALA A 31 6.132 2.470 0.204 1.00 0.00 N ATOM 474 CA ALA A 31 4.917 3.269 0.133 1.00 0.00 C ATOM 475 C ALA A 31 3.670 2.409 0.298 1.00 0.00 C ATOM 476 O ALA A 31 2.767 2.754 1.057 1.00 0.00 O ATOM 477 CB ALA A 31 4.861 4.022 -1.187 1.00 0.00 C ATOM 0 H ALA A 31 6.686 2.467 -0.652 1.00 0.00 H new ATOM 0 HA ALA A 31 4.941 3.984 0.955 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.948 4.616 -1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.726 4.680 -1.267 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.869 3.310 -2.013 1.00 0.00 H new ATOM 483 N ALA A 32 3.626 1.291 -0.419 1.00 0.00 N ATOM 484 CA ALA A 32 2.485 0.386 -0.357 1.00 0.00 C ATOM 485 C ALA A 32 2.378 -0.287 1.007 1.00 0.00 C ATOM 486 O ALA A 32 1.294 -0.362 1.587 1.00 0.00 O ATOM 487 CB ALA A 32 2.585 -0.662 -1.456 1.00 0.00 C ATOM 0 H ALA A 32 4.368 0.990 -1.050 1.00 0.00 H new ATOM 0 HA ALA A 32 1.582 0.977 -0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.727 -1.332 -1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.597 -0.170 -2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.503 -1.236 -1.329 1.00 0.00 H new ATOM 493 N LYS A 33 3.503 -0.789 1.506 1.00 0.00 N ATOM 494 CA LYS A 33 3.543 -1.471 2.794 1.00 0.00 C ATOM 495 C LYS A 33 2.838 -0.671 3.879 1.00 0.00 C ATOM 496 O LYS A 33 1.935 -1.171 4.542 1.00 0.00 O ATOM 497 CB LYS A 33 4.992 -1.728 3.212 1.00 0.00 C ATOM 498 CG LYS A 33 5.125 -2.580 4.464 1.00 0.00 C ATOM 499 CD LYS A 33 6.027 -1.919 5.494 1.00 0.00 C ATOM 500 CE LYS A 33 6.915 -2.938 6.191 1.00 0.00 C ATOM 501 NZ LYS A 33 6.124 -3.892 7.017 1.00 0.00 N ATOM 0 H LYS A 33 4.405 -0.735 1.033 1.00 0.00 H new ATOM 0 HA LYS A 33 3.019 -2.419 2.676 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.516 -2.219 2.392 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.488 -0.772 3.380 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.139 -2.749 4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.528 -3.557 4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.647 -1.167 5.007 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.417 -1.399 6.233 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.487 -3.491 5.446 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.634 -2.419 6.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.767 -4.559 7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.584 -3.366 7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.467 -4.418 6.406 1.00 0.00 H new ATOM 515 N PHE A 34 3.270 0.563 4.079 1.00 0.00 N ATOM 516 CA PHE A 34 2.680 1.401 5.111 1.00 0.00 C ATOM 517 C PHE A 34 1.326 1.957 4.704 1.00 0.00 C ATOM 518 O PHE A 34 0.516 2.314 5.560 1.00 0.00 O ATOM 519 CB PHE A 34 3.625 2.524 5.489 1.00 0.00 C ATOM 520 CG PHE A 34 4.544 2.180 6.626 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.102 2.250 7.937 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.849 1.784 6.383 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.945 1.931 8.985 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.697 1.465 7.427 1.00 0.00 C ATOM 525 CZ PHE A 34 6.244 1.539 8.731 1.00 0.00 C ATOM 0 H PHE A 34 4.020 1.004 3.546 1.00 0.00 H new ATOM 0 HA PHE A 34 2.515 0.766 5.982 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.223 2.793 4.618 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.041 3.404 5.759 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.087 2.557 8.143 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.208 1.724 5.366 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.587 1.988 10.002 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.712 1.158 7.224 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.904 1.291 9.549 1.00 0.00 H new ATOM 535 N GLU A 35 1.079 2.040 3.407 1.00 0.00 N ATOM 536 CA GLU A 35 -0.181 2.564 2.906 1.00 0.00 C ATOM 537 C GLU A 35 -1.361 1.683 3.302 1.00 0.00 C ATOM 538 O GLU A 35 -2.343 2.160 3.872 1.00 0.00 O ATOM 539 CB GLU A 35 -0.121 2.663 1.383 1.00 0.00 C ATOM 540 CG GLU A 35 -0.239 4.082 0.858 1.00 0.00 C ATOM 541 CD GLU A 35 0.745 4.367 -0.258 1.00 0.00 C ATOM 542 OE1 GLU A 35 0.506 3.904 -1.393 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.757 5.050 0.003 1.00 0.00 O ATOM 0 H GLU A 35 1.735 1.751 2.681 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.330 3.549 3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.819 2.234 1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.923 2.060 0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.253 4.250 0.496 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.072 4.784 1.675 1.00 0.00 H new ATOM 550 N SER A 36 -1.279 0.408 2.943 1.00 0.00 N ATOM 551 CA SER A 36 -2.368 -0.530 3.206 1.00 0.00 C ATOM 552 C SER A 36 -1.877 -1.836 3.819 1.00 0.00 C ATOM 553 O SER A 36 -2.630 -2.806 3.899 1.00 0.00 O ATOM 554 CB SER A 36 -3.090 -0.834 1.890 1.00 0.00 C ATOM 555 OG SER A 36 -2.160 -1.143 0.868 1.00 0.00 O ATOM 0 H SER A 36 -0.473 -0.001 2.470 1.00 0.00 H new ATOM 0 HA SER A 36 -3.041 -0.063 3.925 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.775 -1.670 2.030 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.692 0.025 1.593 1.00 0.00 H new ATOM 0 HG SER A 36 -1.940 -0.329 0.369 1.00 0.00 H new ATOM 561 N ASN A 37 -0.617 -1.872 4.231 1.00 0.00 N ATOM 562 CA ASN A 37 -0.052 -3.087 4.807 1.00 0.00 C ATOM 563 C ASN A 37 -0.128 -4.211 3.782 1.00 0.00 C ATOM 564 O ASN A 37 -0.209 -5.383 4.133 1.00 0.00 O ATOM 565 CB ASN A 37 -0.796 -3.481 6.085 1.00 0.00 C ATOM 566 CG ASN A 37 -0.369 -2.651 7.281 1.00 0.00 C ATOM 567 OD1 ASN A 37 -1.003 -1.650 7.614 1.00 0.00 O ATOM 568 ND2 ASN A 37 0.711 -3.066 7.933 1.00 0.00 N ATOM 0 H ASN A 37 0.028 -1.084 4.179 1.00 0.00 H new ATOM 0 HA ASN A 37 0.990 -2.904 5.070 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.868 -3.364 5.929 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.618 -4.536 6.296 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.046 -2.549 8.746 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.205 -3.902 7.621 1.00 0.00 H new ATOM 575 N PHE A 38 -0.093 -3.813 2.510 1.00 0.00 N ATOM 576 CA PHE A 38 -0.149 -4.718 1.372 1.00 0.00 C ATOM 577 C PHE A 38 -1.530 -5.341 1.222 1.00 0.00 C ATOM 578 O PHE A 38 -1.683 -6.386 0.598 1.00 0.00 O ATOM 579 CB PHE A 38 0.942 -5.788 1.466 1.00 0.00 C ATOM 580 CG PHE A 38 2.326 -5.228 1.297 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.606 -4.346 0.265 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.343 -5.573 2.171 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.872 -3.820 0.105 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.613 -5.050 2.017 1.00 0.00 C ATOM 585 CZ PHE A 38 4.878 -4.173 0.982 1.00 0.00 C ATOM 0 H PHE A 38 -0.023 -2.832 2.241 1.00 0.00 H new ATOM 0 HA PHE A 38 0.039 -4.131 0.473 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.873 -6.286 2.433 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.767 -6.547 0.703 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.822 -4.066 -0.424 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.142 -6.258 2.981 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.075 -3.134 -0.704 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.398 -5.326 2.705 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.870 -3.765 0.860 1.00 0.00 H new ATOM 595 N ASN A 39 -2.543 -4.676 1.769 1.00 0.00 N ATOM 596 CA ASN A 39 -3.910 -5.167 1.666 1.00 0.00 C ATOM 597 C ASN A 39 -4.485 -4.824 0.299 1.00 0.00 C ATOM 598 O ASN A 39 -4.735 -3.660 -0.010 1.00 0.00 O ATOM 599 CB ASN A 39 -4.780 -4.573 2.775 1.00 0.00 C ATOM 600 CG ASN A 39 -6.168 -5.182 2.813 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.459 -6.140 2.096 1.00 0.00 O ATOM 602 ND2 ASN A 39 -7.034 -4.627 3.653 1.00 0.00 N ATOM 0 H ASN A 39 -2.443 -3.802 2.285 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.901 -6.251 1.783 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.292 -4.728 3.737 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.863 -3.496 2.630 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.983 -4.993 3.723 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.750 -3.834 4.229 1.00 0.00 H new ATOM 609 N THR A 40 -4.667 -5.848 -0.524 1.00 0.00 N ATOM 610 CA THR A 40 -5.186 -5.667 -1.869 1.00 0.00 C ATOM 611 C THR A 40 -6.645 -5.269 -1.805 1.00 0.00 C ATOM 612 O THR A 40 -7.174 -4.608 -2.698 1.00 0.00 O ATOM 613 CB THR A 40 -5.044 -6.960 -2.695 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.230 -7.755 -2.572 1.00 0.00 O ATOM 615 CG2 THR A 40 -3.845 -7.771 -2.227 1.00 0.00 C ATOM 0 H THR A 40 -4.461 -6.817 -0.280 1.00 0.00 H new ATOM 0 HA THR A 40 -4.608 -4.880 -2.354 1.00 0.00 H new ATOM 0 HB THR A 40 -4.896 -6.681 -3.738 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.131 -8.574 -3.101 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.765 -8.679 -2.824 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.937 -7.179 -2.343 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.973 -8.037 -1.178 1.00 0.00 H new ATOM 623 N GLN A 41 -7.279 -5.691 -0.727 1.00 0.00 N ATOM 624 CA GLN A 41 -8.680 -5.413 -0.488 1.00 0.00 C ATOM 625 C GLN A 41 -8.854 -4.187 0.406 1.00 0.00 C ATOM 626 O GLN A 41 -9.964 -3.874 0.837 1.00 0.00 O ATOM 627 CB GLN A 41 -9.317 -6.634 0.163 1.00 0.00 C ATOM 628 CG GLN A 41 -9.929 -7.609 -0.829 1.00 0.00 C ATOM 629 CD GLN A 41 -11.441 -7.509 -0.888 1.00 0.00 C ATOM 630 OE1 GLN A 41 -11.993 -6.440 -1.146 1.00 0.00 O ATOM 631 NE2 GLN A 41 -12.118 -8.626 -0.647 1.00 0.00 N ATOM 0 H GLN A 41 -6.834 -6.238 0.010 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.168 -5.199 -1.439 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.562 -7.155 0.752 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.090 -6.303 0.856 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.517 -7.419 -1.820 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.646 -8.625 -0.555 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.618 -9.490 -0.437 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.138 -8.620 -0.672 1.00 0.00 H new ATOM 640 N ALA A 42 -7.748 -3.507 0.692 1.00 0.00 N ATOM 641 CA ALA A 42 -7.769 -2.325 1.549 1.00 0.00 C ATOM 642 C ALA A 42 -8.613 -1.200 0.962 1.00 0.00 C ATOM 643 O ALA A 42 -8.319 -0.680 -0.115 1.00 0.00 O ATOM 644 CB ALA A 42 -6.354 -1.830 1.798 1.00 0.00 C ATOM 0 H ALA A 42 -6.823 -3.755 0.342 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.226 -2.622 2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.384 -0.948 2.438 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.775 -2.614 2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.886 -1.572 0.848 1.00 0.00 H new ATOM 650 N THR A 43 -9.652 -0.818 1.697 1.00 0.00 N ATOM 651 CA THR A 43 -10.543 0.262 1.290 1.00 0.00 C ATOM 652 C THR A 43 -10.791 1.183 2.482 1.00 0.00 C ATOM 653 O THR A 43 -11.267 0.733 3.525 1.00 0.00 O ATOM 654 CB THR A 43 -11.893 -0.281 0.780 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.685 -0.743 1.881 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.683 -1.418 -0.209 1.00 0.00 C ATOM 0 H THR A 43 -9.899 -1.247 2.589 1.00 0.00 H new ATOM 0 HA THR A 43 -10.066 0.808 0.476 1.00 0.00 H new ATOM 0 HB THR A 43 -12.414 0.530 0.272 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.216 -0.558 2.721 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.650 -1.784 -0.554 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.107 -1.057 -1.061 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.141 -2.229 0.278 1.00 0.00 H new ATOM 664 N ASN A 44 -10.459 2.464 2.345 1.00 0.00 N ATOM 665 CA ASN A 44 -10.646 3.411 3.443 1.00 0.00 C ATOM 666 C ASN A 44 -11.251 4.722 2.951 1.00 0.00 C ATOM 667 O ASN A 44 -10.620 5.466 2.201 1.00 0.00 O ATOM 668 CB ASN A 44 -9.312 3.684 4.138 1.00 0.00 C ATOM 669 CG ASN A 44 -9.476 4.500 5.405 1.00 0.00 C ATOM 670 OD1 ASN A 44 -8.981 5.623 5.503 1.00 0.00 O ATOM 671 ND2 ASN A 44 -10.176 3.939 6.384 1.00 0.00 N ATOM 0 H ASN A 44 -10.064 2.868 1.496 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.340 2.963 4.154 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.831 2.736 4.379 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.650 4.212 3.452 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.321 4.441 7.260 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.569 3.006 6.260 1.00 0.00 H new ATOM 678 N ARG A 45 -12.476 4.999 3.388 1.00 0.00 N ATOM 679 CA ARG A 45 -13.171 6.220 2.998 1.00 0.00 C ATOM 680 C ARG A 45 -12.667 7.417 3.800 1.00 0.00 C ATOM 681 O ARG A 45 -12.282 7.283 4.962 1.00 0.00 O ATOM 682 CB ARG A 45 -14.680 6.058 3.197 1.00 0.00 C ATOM 683 CG ARG A 45 -15.065 5.582 4.588 1.00 0.00 C ATOM 684 CD ARG A 45 -16.364 4.794 4.569 1.00 0.00 C ATOM 685 NE ARG A 45 -16.664 4.201 5.868 1.00 0.00 N ATOM 686 CZ ARG A 45 -17.899 3.995 6.317 1.00 0.00 C ATOM 687 NH1 ARG A 45 -18.945 4.334 5.575 1.00 0.00 N ATOM 688 NH2 ARG A 45 -18.090 3.450 7.511 1.00 0.00 N ATOM 0 H ARG A 45 -13.008 4.393 4.013 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.966 6.402 1.943 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -15.168 7.013 3.001 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -15.061 5.349 2.462 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.267 4.960 4.994 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -15.169 6.441 5.251 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -17.182 5.451 4.273 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.299 4.007 3.818 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.883 3.929 6.465 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.804 4.754 4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -19.890 4.174 5.923 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -17.289 3.188 8.086 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -19.038 3.293 7.854 1.00 0.00 H new ATOM 702 N ASN A 46 -12.675 8.587 3.168 1.00 0.00 N ATOM 703 CA ASN A 46 -12.220 9.812 3.815 1.00 0.00 C ATOM 704 C ASN A 46 -13.386 10.759 4.074 1.00 0.00 C ATOM 705 O ASN A 46 -14.526 10.473 3.707 1.00 0.00 O ATOM 706 CB ASN A 46 -11.166 10.509 2.955 1.00 0.00 C ATOM 707 CG ASN A 46 -10.199 9.530 2.318 1.00 0.00 C ATOM 708 OD1 ASN A 46 -10.195 9.347 1.100 1.00 0.00 O ATOM 709 ND2 ASN A 46 -9.372 8.895 3.139 1.00 0.00 N ATOM 0 H ASN A 46 -12.992 8.712 2.207 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.776 9.540 4.773 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.662 11.086 2.174 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.610 11.217 3.570 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.699 8.225 2.767 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.410 9.077 4.142 1.00 0.00 H new ATOM 716 N THR A 47 -13.087 11.885 4.709 1.00 0.00 N ATOM 717 CA THR A 47 -14.104 12.881 5.025 1.00 0.00 C ATOM 718 C THR A 47 -14.327 13.834 3.855 1.00 0.00 C ATOM 719 O THR A 47 -15.412 14.396 3.700 1.00 0.00 O ATOM 720 CB THR A 47 -13.721 13.700 6.271 1.00 0.00 C ATOM 721 OG1 THR A 47 -12.432 14.299 6.088 1.00 0.00 O ATOM 722 CG2 THR A 47 -13.702 12.820 7.512 1.00 0.00 C ATOM 0 H THR A 47 -12.146 12.132 5.016 1.00 0.00 H new ATOM 0 HA THR A 47 -15.026 12.335 5.226 1.00 0.00 H new ATOM 0 HB THR A 47 -14.469 14.481 6.408 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.197 14.819 6.884 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.429 13.420 8.380 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.691 12.388 7.667 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.973 12.021 7.380 1.00 0.00 H new ATOM 730 N ASP A 48 -13.296 14.013 3.034 1.00 0.00 N ATOM 731 CA ASP A 48 -13.384 14.899 1.879 1.00 0.00 C ATOM 732 C ASP A 48 -14.325 14.328 0.822 1.00 0.00 C ATOM 733 O ASP A 48 -14.740 15.031 -0.100 1.00 0.00 O ATOM 734 CB ASP A 48 -11.997 15.129 1.277 1.00 0.00 C ATOM 735 CG ASP A 48 -11.243 13.836 1.042 1.00 0.00 C ATOM 736 OD1 ASP A 48 -11.884 12.764 1.050 1.00 0.00 O ATOM 737 OD2 ASP A 48 -10.009 13.894 0.850 1.00 0.00 O ATOM 0 H ASP A 48 -12.391 13.556 3.148 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.787 15.854 2.217 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.099 15.663 0.332 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.417 15.768 1.943 1.00 0.00 H new ATOM 742 N GLY A 49 -14.662 13.050 0.967 1.00 0.00 N ATOM 743 CA GLY A 49 -15.556 12.406 0.022 1.00 0.00 C ATOM 744 C GLY A 49 -14.878 11.314 -0.782 1.00 0.00 C ATOM 745 O GLY A 49 -15.534 10.378 -1.241 1.00 0.00 O ATOM 0 H GLY A 49 -14.332 12.449 1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -16.402 11.981 0.562 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.957 13.156 -0.660 1.00 0.00 H new ATOM 749 N SER A 50 -13.565 11.430 -0.955 1.00 0.00 N ATOM 750 CA SER A 50 -12.809 10.439 -1.712 1.00 0.00 C ATOM 751 C SER A 50 -12.566 9.185 -0.880 1.00 0.00 C ATOM 752 O SER A 50 -13.059 9.066 0.242 1.00 0.00 O ATOM 753 CB SER A 50 -11.476 11.021 -2.186 1.00 0.00 C ATOM 754 OG SER A 50 -10.999 12.008 -1.289 1.00 0.00 O ATOM 0 H SER A 50 -13.005 12.197 -0.583 1.00 0.00 H new ATOM 0 HA SER A 50 -13.401 10.165 -2.585 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.740 10.223 -2.277 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.599 11.456 -3.178 1.00 0.00 H new ATOM 0 HG SER A 50 -11.087 11.683 -0.369 1.00 0.00 H new ATOM 760 N THR A 51 -11.805 8.251 -1.441 1.00 0.00 N ATOM 761 CA THR A 51 -11.492 6.999 -0.761 1.00 0.00 C ATOM 762 C THR A 51 -10.261 6.342 -1.379 1.00 0.00 C ATOM 763 O THR A 51 -9.927 6.605 -2.533 1.00 0.00 O ATOM 764 CB THR A 51 -12.678 6.018 -0.836 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.870 6.645 -0.348 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.401 4.759 -0.029 1.00 0.00 C ATOM 0 H THR A 51 -11.392 8.338 -2.369 1.00 0.00 H new ATOM 0 HA THR A 51 -11.290 7.236 0.284 1.00 0.00 H new ATOM 0 HB THR A 51 -12.814 5.738 -1.881 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.630 7.419 0.204 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.255 4.086 -0.101 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.514 4.263 -0.422 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.235 5.025 1.015 1.00 0.00 H new ATOM 774 N ASP A 52 -9.598 5.478 -0.617 1.00 0.00 N ATOM 775 CA ASP A 52 -8.415 4.775 -1.104 1.00 0.00 C ATOM 776 C ASP A 52 -8.732 3.301 -1.293 1.00 0.00 C ATOM 777 O ASP A 52 -8.701 2.521 -0.339 1.00 0.00 O ATOM 778 CB ASP A 52 -7.253 4.945 -0.125 1.00 0.00 C ATOM 779 CG ASP A 52 -6.788 6.384 -0.024 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.562 7.011 -1.080 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.650 6.884 1.113 1.00 0.00 O ATOM 0 H ASP A 52 -9.860 5.247 0.341 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.122 5.201 -2.064 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.558 4.595 0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.420 4.318 -0.442 1.00 0.00 H new ATOM 786 N TYR A 53 -9.055 2.928 -2.524 1.00 0.00 N ATOM 787 CA TYR A 53 -9.399 1.549 -2.827 1.00 0.00 C ATOM 788 C TYR A 53 -8.238 0.792 -3.463 1.00 0.00 C ATOM 789 O TYR A 53 -8.218 0.573 -4.671 1.00 0.00 O ATOM 790 CB TYR A 53 -10.607 1.482 -3.761 1.00 0.00 C ATOM 791 CG TYR A 53 -11.892 2.022 -3.172 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.542 1.355 -2.142 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.466 3.189 -3.662 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.724 1.835 -1.615 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.646 3.677 -3.137 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.272 2.996 -2.115 1.00 0.00 C ATOM 797 OH TYR A 53 -15.451 3.478 -1.592 1.00 0.00 O ATOM 0 H TYR A 53 -9.085 3.559 -3.325 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.640 1.075 -1.876 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.378 2.038 -4.670 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.765 0.444 -4.054 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -12.115 0.445 -1.746 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.981 3.723 -4.466 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -14.217 1.303 -0.815 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.077 4.588 -3.525 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.700 4.305 -2.055 1.00 0.00 H new ATOM 807 N GLY A 54 -7.261 0.405 -2.657 1.00 0.00 N ATOM 808 CA GLY A 54 -6.138 -0.331 -3.211 1.00 0.00 C ATOM 809 C GLY A 54 -4.913 -0.387 -2.328 1.00 0.00 C ATOM 810 O GLY A 54 -4.792 0.358 -1.355 1.00 0.00 O ATOM 0 H GLY A 54 -7.221 0.580 -1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.461 -1.350 -3.424 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.861 0.121 -4.163 1.00 0.00 H new ATOM 814 N ILE A 55 -3.982 -1.260 -2.709 1.00 0.00 N ATOM 815 CA ILE A 55 -2.725 -1.407 -1.995 1.00 0.00 C ATOM 816 C ILE A 55 -1.908 -0.143 -2.201 1.00 0.00 C ATOM 817 O ILE A 55 -1.029 0.193 -1.406 1.00 0.00 O ATOM 818 CB ILE A 55 -1.916 -2.619 -2.507 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.699 -2.863 -1.612 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.482 -2.385 -3.948 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.143 -4.042 -2.047 1.00 0.00 C ATOM 0 H ILE A 55 -4.081 -1.878 -3.514 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.941 -1.571 -0.939 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.549 -3.505 -2.473 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.079 -1.967 -1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.037 -3.026 -0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.912 -3.245 -4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.363 -2.251 -4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.860 -1.491 -4.000 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.988 -4.156 -1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.462 -4.948 -2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.511 -3.873 -3.059 1.00 0.00 H new ATOM 833 N LEU A 56 -2.246 0.567 -3.275 1.00 0.00 N ATOM 834 CA LEU A 56 -1.598 1.820 -3.615 1.00 0.00 C ATOM 835 C LEU A 56 -2.600 2.957 -3.446 1.00 0.00 C ATOM 836 O LEU A 56 -2.302 4.113 -3.746 1.00 0.00 O ATOM 837 CB LEU A 56 -1.062 1.793 -5.055 1.00 0.00 C ATOM 838 CG LEU A 56 0.465 1.903 -5.197 1.00 0.00 C ATOM 839 CD1 LEU A 56 1.021 2.977 -4.275 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.122 0.560 -4.908 1.00 0.00 C ATOM 0 H LEU A 56 -2.976 0.286 -3.930 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.749 1.972 -2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.387 0.866 -5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.521 2.612 -5.610 1.00 0.00 H new ATOM 0 HG LEU A 56 0.692 2.189 -6.224 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.103 3.035 -4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.576 3.939 -4.528 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.783 2.728 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.203 0.654 -5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.881 0.248 -3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.753 -0.185 -5.613 1.00 0.00 H new ATOM 852 N GLN A 57 -3.794 2.607 -2.947 1.00 0.00 N ATOM 853 CA GLN A 57 -4.865 3.572 -2.705 1.00 0.00 C ATOM 854 C GLN A 57 -5.471 4.102 -4.002 1.00 0.00 C ATOM 855 O GLN A 57 -5.219 5.246 -4.381 1.00 0.00 O ATOM 856 CB GLN A 57 -4.350 4.738 -1.857 1.00 0.00 C ATOM 857 CG GLN A 57 -3.752 4.305 -0.528 1.00 0.00 C ATOM 858 CD GLN A 57 -3.616 5.455 0.451 1.00 0.00 C ATOM 859 OE1 GLN A 57 -4.133 5.399 1.568 1.00 0.00 O ATOM 860 NE2 GLN A 57 -2.919 6.506 0.037 1.00 0.00 N ATOM 0 H GLN A 57 -4.040 1.648 -2.702 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.652 3.046 -2.165 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.597 5.284 -2.424 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.171 5.430 -1.669 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.378 3.529 -0.087 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.771 3.862 -0.702 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.508 6.510 -0.897 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.794 7.310 0.652 1.00 0.00 H new ATOM 869 N ILE A 58 -6.278 3.283 -4.687 1.00 0.00 N ATOM 870 CA ILE A 58 -6.895 3.721 -5.925 1.00 0.00 C ATOM 871 C ILE A 58 -8.127 4.548 -5.615 1.00 0.00 C ATOM 872 O ILE A 58 -9.196 4.006 -5.333 1.00 0.00 O ATOM 873 CB ILE A 58 -7.284 2.529 -6.822 1.00 0.00 C ATOM 874 CG1 ILE A 58 -6.183 1.461 -6.802 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.547 3.001 -8.244 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.800 2.001 -7.108 1.00 0.00 C ATOM 0 H ILE A 58 -6.511 2.331 -4.404 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.166 4.324 -6.467 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.199 2.084 -6.432 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.168 0.986 -5.821 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.429 0.686 -7.528 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.821 2.148 -8.866 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.362 3.725 -8.242 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.647 3.468 -8.645 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.076 1.187 -7.075 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.796 2.450 -8.101 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.532 2.755 -6.368 1.00 0.00 H new ATOM 888 N ASN A 59 -7.974 5.864 -5.662 1.00 0.00 N ATOM 889 CA ASN A 59 -9.078 6.760 -5.381 1.00 0.00 C ATOM 890 C ASN A 59 -10.128 6.660 -6.471 1.00 0.00 C ATOM 891 O ASN A 59 -10.009 7.292 -7.521 1.00 0.00 O ATOM 892 CB ASN A 59 -8.574 8.199 -5.263 1.00 0.00 C ATOM 893 CG ASN A 59 -9.669 9.175 -4.875 1.00 0.00 C ATOM 894 OD1 ASN A 59 -9.527 10.385 -5.053 1.00 0.00 O ATOM 895 ND2 ASN A 59 -10.769 8.659 -4.335 1.00 0.00 N ATOM 0 H ASN A 59 -7.097 6.331 -5.892 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.531 6.469 -4.433 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.777 8.240 -4.521 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.140 8.506 -6.214 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.534 9.272 -4.052 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.848 7.651 -4.204 1.00 0.00 H new ATOM 902 N SER A 60 -11.160 5.866 -6.218 1.00 0.00 N ATOM 903 CA SER A 60 -12.238 5.689 -7.185 1.00 0.00 C ATOM 904 C SER A 60 -13.003 6.993 -7.413 1.00 0.00 C ATOM 905 O SER A 60 -13.771 7.110 -8.367 1.00 0.00 O ATOM 906 CB SER A 60 -13.201 4.602 -6.708 1.00 0.00 C ATOM 907 OG SER A 60 -14.228 5.148 -5.898 1.00 0.00 O ATOM 0 H SER A 60 -11.274 5.335 -5.354 1.00 0.00 H new ATOM 0 HA SER A 60 -11.789 5.387 -8.131 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.642 4.099 -7.569 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.652 3.847 -6.145 1.00 0.00 H new ATOM 0 HG SER A 60 -14.735 4.422 -5.479 1.00 0.00 H new ATOM 913 N ARG A 61 -12.793 7.973 -6.539 1.00 0.00 N ATOM 914 CA ARG A 61 -13.470 9.261 -6.664 1.00 0.00 C ATOM 915 C ARG A 61 -12.582 10.265 -7.390 1.00 0.00 C ATOM 916 O ARG A 61 -12.771 11.477 -7.278 1.00 0.00 O ATOM 917 CB ARG A 61 -13.848 9.800 -5.282 1.00 0.00 C ATOM 918 CG ARG A 61 -15.057 10.720 -5.298 1.00 0.00 C ATOM 919 CD ARG A 61 -14.774 12.023 -4.570 1.00 0.00 C ATOM 920 NE ARG A 61 -15.764 13.052 -4.881 1.00 0.00 N ATOM 921 CZ ARG A 61 -16.962 13.119 -4.308 1.00 0.00 C ATOM 922 NH1 ARG A 61 -17.317 12.223 -3.398 1.00 0.00 N ATOM 923 NH2 ARG A 61 -17.807 14.084 -4.646 1.00 0.00 N ATOM 0 H ARG A 61 -12.163 7.901 -5.740 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.379 9.114 -7.247 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.049 8.961 -4.616 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.997 10.339 -4.866 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.341 10.932 -6.329 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.904 10.218 -4.831 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.764 11.843 -3.495 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.781 12.382 -4.842 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.523 13.758 -5.576 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.670 11.479 -3.135 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -18.237 12.277 -2.960 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.538 14.775 -5.346 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.726 14.135 -4.206 1.00 0.00 H new ATOM 937 N TRP A 62 -11.611 9.748 -8.134 1.00 0.00 N ATOM 938 CA TRP A 62 -10.689 10.600 -8.881 1.00 0.00 C ATOM 939 C TRP A 62 -9.966 9.850 -10.004 1.00 0.00 C ATOM 940 O TRP A 62 -9.300 10.473 -10.831 1.00 0.00 O ATOM 941 CB TRP A 62 -9.661 11.218 -7.933 1.00 0.00 C ATOM 942 CG TRP A 62 -9.203 12.579 -8.360 1.00 0.00 C ATOM 943 CD1 TRP A 62 -8.049 12.886 -9.022 1.00 0.00 C ATOM 944 CD2 TRP A 62 -9.890 13.820 -8.153 1.00 0.00 C ATOM 945 NE1 TRP A 62 -7.976 14.241 -9.240 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.094 14.836 -8.715 1.00 0.00 C ATOM 947 CE3 TRP A 62 -11.099 14.170 -7.546 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -9.469 16.177 -8.688 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -11.470 15.501 -7.521 1.00 0.00 C ATOM 950 CH2 TRP A 62 -10.658 16.490 -8.089 1.00 0.00 C ATOM 0 H TRP A 62 -11.441 8.748 -8.237 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.289 11.382 -9.347 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -10.092 11.284 -6.934 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.797 10.557 -7.864 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -7.302 12.169 -9.329 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -7.214 14.725 -9.715 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -11.732 13.414 -7.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -8.844 16.942 -9.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -12.403 15.783 -7.055 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -10.977 17.521 -8.053 1.00 0.00 H new ATOM 961 N TRP A 63 -10.075 8.522 -10.033 1.00 0.00 N ATOM 962 CA TRP A 63 -9.398 7.738 -11.060 1.00 0.00 C ATOM 963 C TRP A 63 -10.338 6.749 -11.736 1.00 0.00 C ATOM 964 O TRP A 63 -10.671 6.899 -12.910 1.00 0.00 O ATOM 965 CB TRP A 63 -8.210 6.986 -10.450 1.00 0.00 C ATOM 966 CG TRP A 63 -7.121 7.898 -9.978 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.524 7.923 -8.749 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.511 8.931 -10.742 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.569 8.915 -8.713 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.547 9.550 -9.930 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.693 9.387 -12.040 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.766 10.611 -10.385 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -5.930 10.432 -12.495 1.00 0.00 C ATOM 974 CH2 TRP A 63 -4.972 11.041 -11.672 1.00 0.00 C ATOM 0 H TRP A 63 -10.618 7.974 -9.366 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.044 8.434 -11.820 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.560 6.383 -9.612 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.804 6.297 -11.191 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.765 7.263 -7.928 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -4.976 9.141 -7.914 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.426 8.925 -12.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.027 11.077 -9.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.069 10.792 -13.504 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.386 11.862 -12.057 1.00 0.00 H new ATOM 985 N CYS A 64 -10.725 5.720 -11.002 1.00 0.00 N ATOM 986 CA CYS A 64 -11.590 4.684 -11.554 1.00 0.00 C ATOM 987 C CYS A 64 -13.063 5.000 -11.351 1.00 0.00 C ATOM 988 O CYS A 64 -13.446 5.675 -10.398 1.00 0.00 O ATOM 989 CB CYS A 64 -11.276 3.324 -10.923 1.00 0.00 C ATOM 990 SG CYS A 64 -12.286 2.938 -9.452 1.00 0.00 S ATOM 0 H CYS A 64 -10.458 5.577 -10.028 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.392 4.649 -12.625 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.427 2.545 -11.670 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.222 3.298 -10.645 1.00 0.00 H new ATOM 995 N ASN A 65 -13.883 4.478 -12.256 1.00 0.00 N ATOM 996 CA ASN A 65 -15.327 4.672 -12.185 1.00 0.00 C ATOM 997 C ASN A 65 -15.972 3.524 -11.417 1.00 0.00 C ATOM 998 O ASN A 65 -16.056 2.402 -11.915 1.00 0.00 O ATOM 999 CB ASN A 65 -15.924 4.763 -13.591 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.408 5.076 -13.569 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -17.809 6.239 -13.524 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -18.233 4.035 -13.600 1.00 0.00 N ATOM 0 H ASN A 65 -13.572 3.916 -13.049 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.527 5.607 -11.661 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.401 5.535 -14.156 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.762 3.820 -14.114 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.242 4.183 -13.587 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.857 3.087 -13.637 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.415 3.808 -10.197 1.00 0.00 N ATOM 1010 CA ASP A 66 -17.038 2.791 -9.357 1.00 0.00 C ATOM 1011 C ASP A 66 -18.559 2.919 -9.361 1.00 0.00 C ATOM 1012 O ASP A 66 -19.267 1.994 -8.965 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.507 2.888 -7.926 1.00 0.00 C ATOM 1014 CG ASP A 66 -17.000 4.128 -7.206 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.197 5.165 -7.875 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -17.188 4.062 -5.973 1.00 0.00 O ATOM 0 H ASP A 66 -16.355 4.732 -9.768 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.781 1.815 -9.770 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.812 2.003 -7.368 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.417 2.893 -7.946 1.00 0.00 H new ATOM 1021 N GLY A 67 -19.058 4.065 -9.816 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.493 4.282 -9.867 1.00 0.00 C ATOM 1023 C GLY A 67 -21.121 4.439 -8.494 1.00 0.00 C ATOM 1024 O GLY A 67 -22.285 4.821 -8.381 1.00 0.00 O ATOM 0 H GLY A 67 -18.494 4.847 -10.150 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.699 5.174 -10.458 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.963 3.444 -10.381 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.354 4.144 -7.448 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.853 4.255 -6.082 1.00 0.00 C ATOM 1030 C ARG A 68 -20.658 5.667 -5.540 1.00 0.00 C ATOM 1031 O ARG A 68 -21.072 5.977 -4.423 1.00 0.00 O ATOM 1032 CB ARG A 68 -20.145 3.247 -5.175 1.00 0.00 C ATOM 1033 CG ARG A 68 -20.467 1.799 -5.506 1.00 0.00 C ATOM 1034 CD ARG A 68 -19.231 0.918 -5.410 1.00 0.00 C ATOM 1035 NE ARG A 68 -19.497 -0.446 -5.858 1.00 0.00 N ATOM 1036 CZ ARG A 68 -18.956 -1.525 -5.299 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -18.123 -1.398 -4.275 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -19.249 -2.732 -5.764 1.00 0.00 N ATOM 0 H ARG A 68 -19.387 3.827 -7.520 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.921 4.037 -6.095 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.068 3.397 -5.250 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.423 3.445 -4.140 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.232 1.430 -4.823 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -20.881 1.738 -6.512 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -18.431 1.348 -6.013 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -18.878 0.899 -4.379 1.00 0.00 H new ATOM 0 HE ARG A 68 -20.134 -0.579 -6.644 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -17.896 -0.471 -3.914 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -17.710 -2.227 -3.848 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -19.890 -2.834 -6.551 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -18.834 -3.559 -5.335 1.00 0.00 H new ATOM 1052 N THR A 69 -20.026 6.522 -6.340 1.00 0.00 N ATOM 1053 CA THR A 69 -19.777 7.901 -5.939 1.00 0.00 C ATOM 1054 C THR A 69 -20.132 8.873 -7.062 1.00 0.00 C ATOM 1055 O THR A 69 -19.497 8.872 -8.117 1.00 0.00 O ATOM 1056 CB THR A 69 -18.305 8.113 -5.540 1.00 0.00 C ATOM 1057 OG1 THR A 69 -17.763 6.900 -5.002 1.00 0.00 O ATOM 1058 CG2 THR A 69 -18.179 9.228 -4.514 1.00 0.00 C ATOM 0 H THR A 69 -19.678 6.283 -7.269 1.00 0.00 H new ATOM 0 HA THR A 69 -20.412 8.099 -5.075 1.00 0.00 H new ATOM 0 HB THR A 69 -17.747 8.396 -6.432 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.826 7.043 -4.752 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.130 9.360 -4.247 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.566 10.156 -4.936 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.750 8.969 -3.623 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.155 9.721 -6.849 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.588 10.700 -7.852 1.00 0.00 C ATOM 1068 C PRO A 70 -20.558 11.806 -8.060 1.00 0.00 C ATOM 1069 O PRO A 70 -20.420 12.704 -7.229 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.877 11.274 -7.259 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.744 11.068 -5.790 1.00 0.00 C ATOM 1072 CD PRO A 70 -21.967 9.793 -5.619 1.00 0.00 C ATOM 0 HA PRO A 70 -21.723 10.246 -8.834 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.988 12.331 -7.502 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.756 10.763 -7.652 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -22.226 11.906 -5.324 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.723 10.995 -5.316 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.343 9.820 -4.726 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.626 8.930 -5.521 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.839 11.735 -9.176 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.830 12.735 -9.475 1.00 0.00 C ATOM 1082 C GLY A 71 -17.502 12.121 -9.867 1.00 0.00 C ATOM 1083 O GLY A 71 -16.481 12.807 -9.904 1.00 0.00 O ATOM 0 H GLY A 71 -19.937 11.002 -9.879 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.184 13.373 -10.284 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.688 13.375 -8.604 1.00 0.00 H new ATOM 1087 N SER A 72 -17.514 10.823 -10.161 1.00 0.00 N ATOM 1088 CA SER A 72 -16.301 10.116 -10.554 1.00 0.00 C ATOM 1089 C SER A 72 -15.714 10.712 -11.828 1.00 0.00 C ATOM 1090 O SER A 72 -16.394 10.818 -12.848 1.00 0.00 O ATOM 1091 CB SER A 72 -16.598 8.630 -10.763 1.00 0.00 C ATOM 1092 OG SER A 72 -15.446 7.937 -11.210 1.00 0.00 O ATOM 0 H SER A 72 -18.351 10.241 -10.134 1.00 0.00 H new ATOM 0 HA SER A 72 -15.570 10.225 -9.753 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.950 8.192 -9.829 1.00 0.00 H new ATOM 0 HB3 SER A 72 -17.401 8.515 -11.492 1.00 0.00 H new ATOM 0 HG SER A 72 -15.498 7.807 -12.180 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.446 11.102 -11.759 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.762 11.690 -12.905 1.00 0.00 C ATOM 1100 C ARG A 73 -13.450 10.631 -13.958 1.00 0.00 C ATOM 1101 O ARG A 73 -13.616 10.866 -15.155 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.470 12.375 -12.458 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.515 13.891 -12.566 1.00 0.00 C ATOM 1104 CD ARG A 73 -12.867 14.534 -11.235 1.00 0.00 C ATOM 1105 NE ARG A 73 -12.776 15.990 -11.289 1.00 0.00 N ATOM 1106 CZ ARG A 73 -13.661 16.807 -10.724 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -14.700 16.310 -10.065 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -13.507 18.119 -10.819 1.00 0.00 N ATOM 0 H ARG A 73 -13.870 11.021 -10.921 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.426 12.432 -13.348 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.261 12.099 -11.424 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.643 12.001 -13.061 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.548 14.261 -12.906 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.249 14.182 -13.317 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.878 14.245 -10.949 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.197 14.157 -10.462 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.989 16.405 -11.788 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -14.821 15.300 -9.991 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.377 16.938 -9.632 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.710 18.504 -11.326 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.186 18.745 -10.386 1.00 0.00 H new ATOM 1122 N ASN A 74 -12.991 9.467 -13.501 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.647 8.367 -14.398 1.00 0.00 C ATOM 1124 C ASN A 74 -11.459 8.762 -15.265 1.00 0.00 C ATOM 1125 O ASN A 74 -11.311 8.297 -16.396 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.842 7.990 -15.278 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.838 6.524 -15.660 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.354 5.676 -14.910 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -14.380 6.216 -16.833 1.00 0.00 N ATOM 0 H ASN A 74 -12.849 9.262 -12.512 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.380 7.498 -13.797 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.767 8.222 -14.750 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.830 8.598 -16.182 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.406 5.245 -17.143 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.770 6.951 -17.423 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.604 9.608 -14.701 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.405 10.070 -15.366 1.00 0.00 C ATOM 1138 C LEU A 75 -8.611 8.909 -15.893 1.00 0.00 C ATOM 1139 O LEU A 75 -8.138 8.887 -17.030 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.564 10.787 -14.332 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.773 12.298 -14.258 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -7.982 12.900 -13.108 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.392 12.959 -15.575 1.00 0.00 C ATOM 0 H LEU A 75 -10.730 9.991 -13.764 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.674 10.720 -16.199 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.777 10.358 -13.353 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.513 10.592 -14.543 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.831 12.484 -14.075 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.148 13.977 -13.077 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.310 12.455 -12.169 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.920 12.700 -13.253 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.548 14.035 -15.501 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.343 12.759 -15.792 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.012 12.557 -16.377 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.484 7.957 -15.015 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.766 6.744 -15.264 1.00 0.00 C ATOM 1157 C CYS A 76 -8.617 5.796 -16.097 1.00 0.00 C ATOM 1158 O CYS A 76 -8.100 4.979 -16.859 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.446 6.148 -13.915 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.772 5.463 -13.746 1.00 0.00 S ATOM 0 H CYS A 76 -8.889 8.006 -14.080 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.850 6.928 -15.826 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.585 6.916 -13.155 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.167 5.358 -13.705 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.933 5.921 -15.934 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.880 5.081 -16.657 1.00 0.00 C ATOM 1167 C ASN A 77 -10.494 3.622 -16.487 1.00 0.00 C ATOM 1168 O ASN A 77 -10.275 2.903 -17.463 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.907 5.454 -18.140 1.00 0.00 C ATOM 1170 CG ASN A 77 -12.106 4.873 -18.864 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.935 4.186 -18.265 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.206 5.147 -20.159 1.00 0.00 N ATOM 0 H ASN A 77 -10.366 6.598 -15.306 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.878 5.239 -16.249 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.919 6.540 -18.238 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.993 5.101 -18.617 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.992 4.784 -20.698 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.496 5.720 -20.615 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.386 3.201 -15.234 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.995 1.837 -14.927 1.00 0.00 C ATOM 1181 C ILE A 78 -11.036 1.118 -14.075 1.00 0.00 C ATOM 1182 O ILE A 78 -11.783 1.748 -13.329 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.639 1.803 -14.193 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.843 1.705 -12.671 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.832 3.033 -14.560 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -7.801 2.440 -11.851 1.00 0.00 C ATOM 0 H ILE A 78 -10.564 3.785 -14.417 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.911 1.319 -15.882 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.087 0.917 -14.505 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.828 2.100 -12.423 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.839 0.654 -12.383 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.874 3.008 -14.041 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.661 3.048 -15.636 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.380 3.928 -14.267 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.021 2.319 -10.790 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.814 2.031 -12.066 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.818 3.500 -12.106 1.00 0.00 H new ATOM 1198 N PRO A 79 -11.077 -0.221 -14.153 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.992 -1.023 -13.362 1.00 0.00 C ATOM 1200 C PRO A 79 -11.370 -1.339 -12.007 1.00 0.00 C ATOM 1201 O PRO A 79 -10.441 -2.142 -11.918 1.00 0.00 O ATOM 1202 CB PRO A 79 -12.145 -2.286 -14.203 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.833 -2.440 -14.906 1.00 0.00 C ATOM 1204 CD PRO A 79 -10.208 -1.065 -14.995 1.00 0.00 C ATOM 0 HA PRO A 79 -12.943 -0.534 -13.152 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -12.363 -3.153 -13.579 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.966 -2.191 -14.914 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.182 -3.124 -14.361 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -10.977 -2.862 -15.901 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.181 -1.069 -14.630 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -10.179 -0.706 -16.024 1.00 0.00 H new ATOM 1212 N CYS A 80 -11.862 -0.691 -10.957 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.317 -0.899 -9.623 1.00 0.00 C ATOM 1214 C CYS A 80 -11.415 -2.361 -9.196 1.00 0.00 C ATOM 1215 O CYS A 80 -10.443 -2.930 -8.710 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.005 0.018 -8.611 1.00 0.00 C ATOM 1217 SG CYS A 80 -11.160 1.622 -8.392 1.00 0.00 S ATOM 0 H CYS A 80 -12.631 -0.023 -11.004 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.258 -0.642 -9.653 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.031 0.197 -8.933 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.058 -0.491 -7.648 1.00 0.00 H new ATOM 1222 N SER A 81 -12.586 -2.964 -9.364 1.00 0.00 N ATOM 1223 CA SER A 81 -12.783 -4.362 -8.980 1.00 0.00 C ATOM 1224 C SER A 81 -11.738 -5.274 -9.627 1.00 0.00 C ATOM 1225 O SER A 81 -11.396 -6.323 -9.080 1.00 0.00 O ATOM 1226 CB SER A 81 -14.188 -4.824 -9.369 1.00 0.00 C ATOM 1227 OG SER A 81 -14.297 -4.998 -10.771 1.00 0.00 O ATOM 0 H SER A 81 -13.410 -2.513 -9.761 1.00 0.00 H new ATOM 0 HA SER A 81 -12.666 -4.428 -7.898 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.419 -5.762 -8.864 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.922 -4.092 -9.032 1.00 0.00 H new ATOM 0 HG SER A 81 -15.204 -5.295 -10.994 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.237 -4.874 -10.795 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.236 -5.665 -11.514 1.00 0.00 C ATOM 1235 C ALA A 82 -8.872 -5.592 -10.831 1.00 0.00 C ATOM 1236 O ALA A 82 -7.957 -6.345 -11.163 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.131 -5.196 -12.956 1.00 0.00 C ATOM 0 H ALA A 82 -11.506 -4.009 -11.264 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.560 -6.706 -11.502 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.383 -5.792 -13.479 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.097 -5.312 -13.448 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.837 -4.147 -12.977 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.752 -4.684 -9.871 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.507 -4.509 -9.129 1.00 0.00 C ATOM 1245 C LEU A 83 -7.626 -5.104 -7.733 1.00 0.00 C ATOM 1246 O LEU A 83 -6.636 -5.232 -7.013 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.135 -3.024 -9.039 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.728 -2.266 -7.848 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.717 -2.165 -6.717 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.189 -0.882 -8.277 1.00 0.00 C ATOM 0 H LEU A 83 -9.503 -4.055 -9.586 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.717 -5.034 -9.666 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.049 -2.942 -8.995 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.455 -2.531 -9.957 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.592 -2.822 -7.483 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.159 -1.623 -5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.434 -3.166 -6.391 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.832 -1.634 -7.067 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.608 -0.356 -7.419 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.340 -0.321 -8.668 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.950 -0.976 -9.052 1.00 0.00 H new ATOM 1262 N LEU A 84 -8.848 -5.459 -7.354 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.107 -6.033 -6.042 1.00 0.00 C ATOM 1264 C LEU A 84 -9.426 -7.518 -6.149 1.00 0.00 C ATOM 1265 O LEU A 84 -10.295 -8.034 -5.446 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.254 -5.281 -5.372 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.353 -3.809 -5.768 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.794 -3.332 -5.716 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.469 -2.955 -4.871 1.00 0.00 C ATOM 0 H LEU A 84 -9.677 -5.358 -7.940 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.210 -5.932 -5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.193 -5.776 -5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.135 -5.348 -4.291 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.001 -3.706 -6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.840 -2.281 -6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.398 -3.922 -6.405 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.180 -3.450 -4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.552 -1.909 -5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.788 -3.065 -3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.433 -3.278 -4.967 1.00 0.00 H new ATOM 1281 N SER A 85 -8.698 -8.200 -7.025 1.00 0.00 N ATOM 1282 CA SER A 85 -8.878 -9.634 -7.221 1.00 0.00 C ATOM 1283 C SER A 85 -7.542 -10.344 -7.122 1.00 0.00 C ATOM 1284 O SER A 85 -7.275 -11.320 -7.823 1.00 0.00 O ATOM 1285 CB SER A 85 -9.546 -9.924 -8.566 1.00 0.00 C ATOM 1286 OG SER A 85 -10.958 -9.939 -8.443 1.00 0.00 O ATOM 0 H SER A 85 -7.976 -7.782 -7.612 1.00 0.00 H new ATOM 0 HA SER A 85 -9.534 -10.010 -6.436 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.249 -9.168 -9.293 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.201 -10.885 -8.947 1.00 0.00 H new ATOM 0 HG SER A 85 -11.361 -10.125 -9.317 1.00 0.00 H new ATOM 1292 N SER A 86 -6.713 -9.805 -6.246 1.00 0.00 N ATOM 1293 CA SER A 86 -5.366 -10.310 -6.001 1.00 0.00 C ATOM 1294 C SER A 86 -4.482 -9.906 -7.158 1.00 0.00 C ATOM 1295 O SER A 86 -3.425 -10.487 -7.404 1.00 0.00 O ATOM 1296 CB SER A 86 -5.366 -11.834 -5.824 1.00 0.00 C ATOM 1297 OG SER A 86 -5.050 -12.492 -7.040 1.00 0.00 O ATOM 0 H SER A 86 -6.955 -8.995 -5.676 1.00 0.00 H new ATOM 0 HA SER A 86 -4.984 -9.880 -5.075 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.643 -12.114 -5.058 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.345 -12.162 -5.474 1.00 0.00 H new ATOM 0 HG SER A 86 -5.745 -12.303 -7.704 1.00 0.00 H new ATOM 1303 N ASP A 87 -4.965 -8.910 -7.885 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.292 -8.398 -9.058 1.00 0.00 C ATOM 1305 C ASP A 87 -3.974 -6.915 -8.908 1.00 0.00 C ATOM 1306 O ASP A 87 -4.880 -6.086 -8.824 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.217 -8.612 -10.244 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.514 -8.456 -11.577 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.485 -9.132 -11.788 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -4.991 -7.658 -12.410 1.00 0.00 O ATOM 0 H ASP A 87 -5.842 -8.434 -7.672 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.346 -8.921 -9.199 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.652 -9.609 -10.183 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.041 -7.901 -10.188 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.689 -6.580 -8.884 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.274 -5.189 -8.756 1.00 0.00 C ATOM 1317 C ILE A 88 -2.142 -4.528 -10.118 1.00 0.00 C ATOM 1318 O ILE A 88 -1.894 -3.329 -10.205 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.935 -5.044 -8.007 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.060 -6.280 -8.219 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.178 -4.800 -6.528 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.412 -6.023 -7.986 1.00 0.00 C ATOM 0 H ILE A 88 -1.921 -7.248 -8.951 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.054 -4.694 -8.177 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.405 -4.183 -8.413 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.393 -7.071 -7.548 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.201 -6.645 -9.236 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.222 -4.700 -6.014 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.756 -3.885 -6.400 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.730 -5.640 -6.107 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.973 -6.942 -8.154 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.761 -5.254 -8.675 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.565 -5.687 -6.960 1.00 0.00 H new ATOM 1334 N THR A 89 -2.298 -5.314 -11.179 1.00 0.00 N ATOM 1335 CA THR A 89 -2.186 -4.797 -12.537 1.00 0.00 C ATOM 1336 C THR A 89 -2.987 -3.510 -12.713 1.00 0.00 C ATOM 1337 O THR A 89 -2.438 -2.477 -13.092 1.00 0.00 O ATOM 1338 CB THR A 89 -2.667 -5.830 -13.572 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.198 -7.136 -13.216 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.173 -5.471 -14.965 1.00 0.00 C ATOM 0 H THR A 89 -2.502 -6.312 -11.123 1.00 0.00 H new ATOM 0 HA THR A 89 -1.130 -4.586 -12.704 1.00 0.00 H new ATOM 0 HB THR A 89 -3.757 -5.825 -13.578 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.510 -7.787 -13.879 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.525 -6.215 -15.679 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.556 -4.490 -15.245 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.083 -5.450 -14.971 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.288 -3.583 -12.451 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.162 -2.434 -12.594 1.00 0.00 C ATOM 1350 C ALA A 90 -4.735 -1.274 -11.694 1.00 0.00 C ATOM 1351 O ALA A 90 -4.687 -0.122 -12.132 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.602 -2.828 -12.306 1.00 0.00 C ATOM 0 H ALA A 90 -4.758 -4.432 -12.137 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.085 -2.090 -13.625 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.247 -1.956 -12.417 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.915 -3.602 -13.007 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.678 -3.208 -11.287 1.00 0.00 H new ATOM 1358 N SER A 91 -4.421 -1.583 -10.438 1.00 0.00 N ATOM 1359 CA SER A 91 -3.993 -0.563 -9.482 1.00 0.00 C ATOM 1360 C SER A 91 -2.685 0.079 -9.909 1.00 0.00 C ATOM 1361 O SER A 91 -2.456 1.268 -9.672 1.00 0.00 O ATOM 1362 CB SER A 91 -3.839 -1.173 -8.088 1.00 0.00 C ATOM 1363 OG SER A 91 -3.942 -2.585 -8.133 1.00 0.00 O ATOM 0 H SER A 91 -4.455 -2.529 -10.058 1.00 0.00 H new ATOM 0 HA SER A 91 -4.761 0.210 -9.455 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.874 -0.889 -7.669 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.605 -0.771 -7.425 1.00 0.00 H new ATOM 0 HG SER A 91 -3.999 -2.938 -7.221 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.827 -0.706 -10.541 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.551 -0.186 -10.987 1.00 0.00 C ATOM 1371 C VAL A 92 -0.715 0.665 -12.224 1.00 0.00 C ATOM 1372 O VAL A 92 -0.249 1.789 -12.252 1.00 0.00 O ATOM 1373 CB VAL A 92 0.495 -1.274 -11.274 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.718 -0.649 -11.943 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.886 -1.996 -9.994 1.00 0.00 C ATOM 0 H VAL A 92 -1.990 -1.690 -10.753 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.183 0.415 -10.155 1.00 0.00 H new ATOM 0 HB VAL A 92 0.063 -2.011 -11.951 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.458 -1.424 -12.145 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.420 -0.179 -12.880 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.150 0.102 -11.282 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.628 -2.762 -10.220 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.307 -1.281 -9.287 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.004 -2.463 -9.556 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.380 0.135 -13.244 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.589 0.876 -14.462 1.00 0.00 C ATOM 1387 C ASN A 93 -1.986 2.308 -14.141 1.00 0.00 C ATOM 1388 O ASN A 93 -1.457 3.265 -14.713 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.646 0.191 -15.308 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.815 1.093 -15.657 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -3.730 1.911 -16.573 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -4.914 0.946 -14.926 1.00 0.00 N ATOM 0 H ASN A 93 -1.779 -0.804 -13.243 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.660 0.903 -15.032 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.187 -0.169 -16.229 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.018 -0.683 -14.774 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.733 1.524 -15.114 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.939 0.255 -14.176 1.00 0.00 H new ATOM 1399 N CYS A 94 -2.905 2.440 -13.195 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.365 3.745 -12.768 1.00 0.00 C ATOM 1401 C CYS A 94 -2.213 4.554 -12.189 1.00 0.00 C ATOM 1402 O CYS A 94 -2.025 5.717 -12.545 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.479 3.614 -11.735 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.663 4.994 -11.774 1.00 0.00 S ATOM 0 H CYS A 94 -3.344 1.657 -12.711 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.758 4.266 -13.641 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.015 2.680 -11.905 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.037 3.552 -10.741 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.443 3.940 -11.290 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.321 4.639 -10.677 1.00 0.00 C ATOM 1411 C ALA A 95 0.792 4.874 -11.683 1.00 0.00 C ATOM 1412 O ALA A 95 1.431 5.914 -11.662 1.00 0.00 O ATOM 1413 CB ALA A 95 0.201 3.902 -9.467 1.00 0.00 C ATOM 0 H ALA A 95 -1.574 2.978 -10.977 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.689 5.608 -10.341 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.037 4.454 -9.037 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.593 3.811 -8.726 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.536 2.908 -9.763 1.00 0.00 H new ATOM 1419 N LYS A 96 1.009 3.918 -12.582 1.00 0.00 N ATOM 1420 CA LYS A 96 2.027 4.072 -13.605 1.00 0.00 C ATOM 1421 C LYS A 96 1.809 5.438 -14.245 1.00 0.00 C ATOM 1422 O LYS A 96 2.744 6.167 -14.586 1.00 0.00 O ATOM 1423 CB LYS A 96 1.908 2.968 -14.658 1.00 0.00 C ATOM 1424 CG LYS A 96 3.135 2.836 -15.543 1.00 0.00 C ATOM 1425 CD LYS A 96 2.987 1.694 -16.535 1.00 0.00 C ATOM 1426 CE LYS A 96 2.627 2.203 -17.921 1.00 0.00 C ATOM 1427 NZ LYS A 96 2.017 1.138 -18.763 1.00 0.00 N ATOM 0 H LYS A 96 0.496 3.037 -12.620 1.00 0.00 H new ATOM 0 HA LYS A 96 3.023 3.998 -13.169 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.728 2.017 -14.156 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.038 3.167 -15.284 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.298 3.769 -16.083 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.016 2.669 -14.923 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.919 1.130 -16.584 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.216 1.006 -16.187 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.932 3.038 -17.832 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.522 2.585 -18.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.786 1.526 -19.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.690 0.352 -18.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.148 0.791 -18.308 1.00 0.00 H new ATOM 1441 N LYS A 97 0.526 5.772 -14.336 1.00 0.00 N ATOM 1442 CA LYS A 97 0.085 7.050 -14.868 1.00 0.00 C ATOM 1443 C LYS A 97 0.194 8.126 -13.793 1.00 0.00 C ATOM 1444 O LYS A 97 0.526 9.276 -14.081 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.354 6.955 -15.380 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.666 7.928 -16.505 1.00 0.00 C ATOM 1447 CD LYS A 97 -3.157 8.202 -16.607 1.00 0.00 C ATOM 1448 CE LYS A 97 -3.800 7.384 -17.716 1.00 0.00 C ATOM 1449 NZ LYS A 97 -3.856 5.935 -17.376 1.00 0.00 N ATOM 0 H LYS A 97 -0.236 5.161 -14.042 1.00 0.00 H new ATOM 0 HA LYS A 97 0.728 7.319 -15.706 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.541 5.939 -15.728 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.038 7.139 -14.552 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.134 8.864 -16.336 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.304 7.522 -17.450 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.637 7.968 -15.656 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.321 9.263 -16.795 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.809 7.753 -17.901 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.237 7.519 -18.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.433 5.435 -18.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.893 5.541 -17.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.281 5.816 -16.434 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.074 7.737 -12.547 1.00 0.00 N ATOM 1464 CA ILE A 98 0.011 8.664 -11.428 1.00 0.00 C ATOM 1465 C ILE A 98 1.435 9.196 -11.281 1.00 0.00 C ATOM 1466 O ILE A 98 1.655 10.404 -11.189 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.444 8.015 -10.105 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.938 7.677 -10.169 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.159 8.946 -8.933 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.413 6.805 -9.026 1.00 0.00 C ATOM 0 H ILE A 98 -0.351 6.789 -12.291 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.665 9.492 -11.644 1.00 0.00 H new ATOM 0 HB ILE A 98 0.116 7.092 -9.957 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.512 8.604 -10.170 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.147 7.171 -11.112 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.485 8.475 -8.006 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.911 9.148 -8.880 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.698 9.883 -9.073 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.479 6.607 -9.138 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.866 5.862 -9.036 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.236 7.317 -8.080 1.00 0.00 H new ATOM 1482 N VAL A 99 2.395 8.277 -11.262 1.00 0.00 N ATOM 1483 CA VAL A 99 3.802 8.623 -11.128 1.00 0.00 C ATOM 1484 C VAL A 99 4.329 9.286 -12.396 1.00 0.00 C ATOM 1485 O VAL A 99 5.265 10.083 -12.345 1.00 0.00 O ATOM 1486 CB VAL A 99 4.658 7.383 -10.806 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.841 6.513 -12.040 1.00 0.00 C ATOM 1488 CG2 VAL A 99 6.003 7.796 -10.234 1.00 0.00 C ATOM 0 H VAL A 99 2.219 7.275 -11.339 1.00 0.00 H new ATOM 0 HA VAL A 99 3.878 9.327 -10.300 1.00 0.00 H new ATOM 0 HB VAL A 99 4.132 6.794 -10.055 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.449 5.645 -11.786 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.867 6.182 -12.399 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.339 7.089 -12.820 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.593 6.907 -10.013 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.533 8.412 -10.960 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.849 8.366 -9.318 1.00 0.00 H new ATOM 1498 N SER A 100 3.710 8.970 -13.534 1.00 0.00 N ATOM 1499 CA SER A 100 4.116 9.563 -14.802 1.00 0.00 C ATOM 1500 C SER A 100 3.453 10.926 -14.977 1.00 0.00 C ATOM 1501 O SER A 100 3.773 11.675 -15.899 1.00 0.00 O ATOM 1502 CB SER A 100 3.743 8.646 -15.968 1.00 0.00 C ATOM 1503 OG SER A 100 4.776 7.713 -16.234 1.00 0.00 O ATOM 0 H SER A 100 2.933 8.313 -13.601 1.00 0.00 H new ATOM 0 HA SER A 100 5.198 9.691 -14.794 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.820 8.115 -15.736 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.551 9.245 -16.859 1.00 0.00 H new ATOM 0 HG SER A 100 4.512 7.138 -16.982 1.00 0.00 H new ATOM 1509 N ASP A 101 2.522 11.232 -14.077 1.00 0.00 N ATOM 1510 CA ASP A 101 1.800 12.499 -14.114 1.00 0.00 C ATOM 1511 C ASP A 101 2.618 13.622 -13.478 1.00 0.00 C ATOM 1512 O ASP A 101 2.212 14.784 -13.501 1.00 0.00 O ATOM 1513 CB ASP A 101 0.456 12.365 -13.396 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.501 13.488 -13.745 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.965 13.533 -14.904 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -0.786 14.322 -12.860 1.00 0.00 O ATOM 0 H ASP A 101 2.250 10.616 -13.311 1.00 0.00 H new ATOM 0 HA ASP A 101 1.626 12.753 -15.160 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.001 11.410 -13.658 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.622 12.355 -12.319 1.00 0.00 H new ATOM 1521 N GLY A 102 3.775 13.273 -12.920 1.00 0.00 N ATOM 1522 CA GLY A 102 4.625 14.273 -12.298 1.00 0.00 C ATOM 1523 C GLY A 102 5.001 13.932 -10.867 1.00 0.00 C ATOM 1524 O GLY A 102 6.171 14.012 -10.492 1.00 0.00 O ATOM 0 H GLY A 102 4.137 12.320 -12.888 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.534 14.386 -12.889 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.114 15.235 -12.313 1.00 0.00 H new ATOM 1528 N ASN A 103 4.009 13.557 -10.063 1.00 0.00 N ATOM 1529 CA ASN A 103 4.247 13.211 -8.665 1.00 0.00 C ATOM 1530 C ASN A 103 4.632 11.743 -8.527 1.00 0.00 C ATOM 1531 O ASN A 103 3.802 10.855 -8.720 1.00 0.00 O ATOM 1532 CB ASN A 103 3.002 13.505 -7.826 1.00 0.00 C ATOM 1533 CG ASN A 103 2.495 14.920 -8.020 1.00 0.00 C ATOM 1534 OD1 ASN A 103 1.372 15.133 -8.477 1.00 0.00 O ATOM 1535 ND2 ASN A 103 3.323 15.898 -7.671 1.00 0.00 N ATOM 0 H ASN A 103 3.034 13.485 -10.355 1.00 0.00 H new ATOM 0 HA ASN A 103 5.074 13.821 -8.301 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.214 12.800 -8.091 1.00 0.00 H new ATOM 0 HB3 ASN A 103 3.231 13.345 -6.772 1.00 0.00 H new ATOM 0 HD21 ASN A 103 3.037 16.871 -7.778 1.00 0.00 H new ATOM 0 HD22 ASN A 103 4.245 15.676 -7.296 1.00 0.00 H new ATOM 1542 N GLY A 104 5.899 11.493 -8.208 1.00 0.00 N ATOM 1543 CA GLY A 104 6.367 10.128 -8.068 1.00 0.00 C ATOM 1544 C GLY A 104 6.731 9.756 -6.643 1.00 0.00 C ATOM 1545 O GLY A 104 7.822 10.077 -6.176 1.00 0.00 O ATOM 0 H GLY A 104 6.606 12.209 -8.045 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.593 9.449 -8.426 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.238 9.984 -8.707 1.00 0.00 H new ATOM 1549 N MET A 105 5.795 9.093 -5.958 1.00 0.00 N ATOM 1550 CA MET A 105 5.971 8.662 -4.571 1.00 0.00 C ATOM 1551 C MET A 105 5.519 9.763 -3.633 1.00 0.00 C ATOM 1552 O MET A 105 5.484 9.590 -2.415 1.00 0.00 O ATOM 1553 CB MET A 105 7.423 8.266 -4.271 1.00 0.00 C ATOM 1554 CG MET A 105 7.977 7.187 -5.191 1.00 0.00 C ATOM 1555 SD MET A 105 6.689 6.177 -5.952 1.00 0.00 S ATOM 1556 CE MET A 105 6.163 5.191 -4.554 1.00 0.00 C ATOM 0 H MET A 105 4.890 8.840 -6.353 1.00 0.00 H new ATOM 0 HA MET A 105 5.357 7.775 -4.416 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.053 9.152 -4.348 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.487 7.917 -3.240 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.573 7.656 -5.974 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.648 6.543 -4.623 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.400 4.143 -4.738 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.681 5.528 -3.656 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.087 5.301 -4.415 1.00 0.00 H new ATOM 1566 N ASN A 106 5.163 10.898 -4.220 1.00 0.00 N ATOM 1567 CA ASN A 106 4.699 12.046 -3.467 1.00 0.00 C ATOM 1568 C ASN A 106 3.186 11.999 -3.281 1.00 0.00 C ATOM 1569 O ASN A 106 2.666 12.384 -2.234 1.00 0.00 O ATOM 1570 CB ASN A 106 5.092 13.321 -4.204 1.00 0.00 C ATOM 1571 CG ASN A 106 6.435 13.862 -3.755 1.00 0.00 C ATOM 1572 OD1 ASN A 106 6.629 14.180 -2.582 1.00 0.00 O ATOM 1573 ND2 ASN A 106 7.371 13.970 -4.691 1.00 0.00 N ATOM 0 H ASN A 106 5.189 11.044 -5.229 1.00 0.00 H new ATOM 0 HA ASN A 106 5.163 12.031 -2.481 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.124 13.122 -5.275 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.326 14.080 -4.043 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.295 14.329 -4.449 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.166 13.694 -5.651 1.00 0.00 H new ATOM 1580 N ALA A 107 2.485 11.517 -4.305 1.00 0.00 N ATOM 1581 CA ALA A 107 1.032 11.411 -4.254 1.00 0.00 C ATOM 1582 C ALA A 107 0.604 10.478 -3.129 1.00 0.00 C ATOM 1583 O ALA A 107 -0.553 10.479 -2.708 1.00 0.00 O ATOM 1584 CB ALA A 107 0.490 10.920 -5.589 1.00 0.00 C ATOM 0 H ALA A 107 2.901 11.194 -5.179 1.00 0.00 H new ATOM 0 HA ALA A 107 0.620 12.400 -4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.596 10.846 -5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.768 11.622 -6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 107 0.910 9.940 -5.814 1.00 0.00 H new ATOM 1590 N TRP A 108 1.555 9.687 -2.646 1.00 0.00 N ATOM 1591 CA TRP A 108 1.298 8.747 -1.565 1.00 0.00 C ATOM 1592 C TRP A 108 1.948 9.236 -0.272 1.00 0.00 C ATOM 1593 O TRP A 108 3.162 9.429 -0.204 1.00 0.00 O ATOM 1594 CB TRP A 108 1.809 7.359 -1.951 1.00 0.00 C ATOM 1595 CG TRP A 108 1.165 6.830 -3.200 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.024 6.165 -3.290 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.669 6.931 -4.538 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.288 5.843 -4.600 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.735 6.303 -5.386 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.817 7.493 -5.102 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.917 6.222 -6.767 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.998 7.410 -6.470 1.00 0.00 C ATOM 1603 CH2 TRP A 108 2.052 6.780 -7.289 1.00 0.00 C ATOM 0 H TRP A 108 2.516 9.679 -2.989 1.00 0.00 H new ATOM 0 HA TRP A 108 0.224 8.680 -1.394 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.889 7.401 -2.094 1.00 0.00 H new ATOM 0 HB3 TRP A 108 1.623 6.667 -1.130 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -0.664 5.927 -2.453 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.112 5.343 -4.933 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.551 7.984 -4.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 0.189 5.737 -7.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.884 7.838 -6.915 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.222 6.734 -8.355 1.00 0.00 H new ATOM 1614 N VAL A 109 1.117 9.466 0.740 1.00 0.00 N ATOM 1615 CA VAL A 109 1.577 9.973 2.033 1.00 0.00 C ATOM 1616 C VAL A 109 2.334 8.936 2.852 1.00 0.00 C ATOM 1617 O VAL A 109 3.133 9.294 3.718 1.00 0.00 O ATOM 1618 CB VAL A 109 0.414 10.475 2.880 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.807 11.731 3.643 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -0.827 10.719 2.033 1.00 0.00 C ATOM 0 H VAL A 109 0.111 9.308 0.690 1.00 0.00 H new ATOM 0 HA VAL A 109 2.256 10.790 1.788 1.00 0.00 H new ATOM 0 HB VAL A 109 0.170 9.697 3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.038 12.073 4.241 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.650 11.510 4.298 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.091 12.512 2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.637 11.076 2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.606 11.467 1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.127 9.789 1.551 1.00 0.00 H new ATOM 1630 N ALA A 110 2.097 7.662 2.587 1.00 0.00 N ATOM 1631 CA ALA A 110 2.782 6.606 3.323 1.00 0.00 C ATOM 1632 C ALA A 110 4.259 6.578 2.973 1.00 0.00 C ATOM 1633 O ALA A 110 5.088 6.140 3.772 1.00 0.00 O ATOM 1634 CB ALA A 110 2.138 5.255 3.049 1.00 0.00 C ATOM 0 H ALA A 110 1.443 7.333 1.876 1.00 0.00 H new ATOM 0 HA ALA A 110 2.689 6.818 4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.664 4.481 3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 110 1.094 5.280 3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.194 5.035 1.983 1.00 0.00 H new ATOM 1640 N TRP A 111 4.588 7.067 1.785 1.00 0.00 N ATOM 1641 CA TRP A 111 5.973 7.113 1.354 1.00 0.00 C ATOM 1642 C TRP A 111 6.645 8.360 1.915 1.00 0.00 C ATOM 1643 O TRP A 111 7.818 8.330 2.280 1.00 0.00 O ATOM 1644 CB TRP A 111 6.081 7.077 -0.172 1.00 0.00 C ATOM 1645 CG TRP A 111 7.494 7.136 -0.670 1.00 0.00 C ATOM 1646 CD1 TRP A 111 8.297 6.076 -0.982 1.00 0.00 C ATOM 1647 CD2 TRP A 111 8.274 8.314 -0.911 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.527 6.522 -1.400 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.537 7.892 -1.367 1.00 0.00 C ATOM 1650 CE3 TRP A 111 8.027 9.683 -0.786 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.549 8.791 -1.697 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 9.032 10.574 -1.115 1.00 0.00 C ATOM 1653 CH2 TRP A 111 10.278 10.125 -1.565 1.00 0.00 C ATOM 0 H TRP A 111 3.918 7.434 1.109 1.00 0.00 H new ATOM 0 HA TRP A 111 6.485 6.231 1.738 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.611 6.165 -0.541 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.521 7.915 -0.588 1.00 0.00 H new ATOM 0 HD1 TRP A 111 8.007 5.038 -0.910 1.00 0.00 H new ATOM 0 HE1 TRP A 111 10.306 5.930 -1.688 1.00 0.00 H new ATOM 0 HE3 TRP A 111 7.068 10.039 -0.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.512 8.447 -2.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.852 11.635 -1.023 1.00 0.00 H new ATOM 0 HH2 TRP A 111 11.042 10.847 -1.813 1.00 0.00 H new ATOM 1664 N ARG A 112 5.893 9.454 2.012 1.00 0.00 N ATOM 1665 CA ARG A 112 6.425 10.692 2.560 1.00 0.00 C ATOM 1666 C ARG A 112 6.160 10.762 4.057 1.00 0.00 C ATOM 1667 O ARG A 112 5.715 11.786 4.578 1.00 0.00 O ATOM 1668 CB ARG A 112 5.782 11.888 1.876 1.00 0.00 C ATOM 1669 CG ARG A 112 6.620 12.479 0.754 1.00 0.00 C ATOM 1670 CD ARG A 112 6.499 13.994 0.708 1.00 0.00 C ATOM 1671 NE ARG A 112 7.129 14.629 1.861 1.00 0.00 N ATOM 1672 CZ ARG A 112 7.238 15.946 2.010 1.00 0.00 C ATOM 1673 NH1 ARG A 112 6.760 16.765 1.082 1.00 0.00 N ATOM 1674 NH2 ARG A 112 7.825 16.447 3.090 1.00 0.00 N ATOM 0 H ARG A 112 4.917 9.505 1.719 1.00 0.00 H new ATOM 0 HA ARG A 112 7.501 10.713 2.385 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.814 11.588 1.474 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.592 12.661 2.620 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.665 12.200 0.893 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.302 12.058 -0.200 1.00 0.00 H new ATOM 0 HD2 ARG A 112 6.959 14.367 -0.207 1.00 0.00 H new ATOM 0 HD3 ARG A 112 5.446 14.272 0.672 1.00 0.00 H new ATOM 0 HE ARG A 112 7.507 14.029 2.594 1.00 0.00 H new ATOM 0 HH11 ARG A 112 6.307 16.385 0.251 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.845 17.775 1.200 1.00 0.00 H new ATOM 0 HH21 ARG A 112 8.193 15.822 3.807 1.00 0.00 H new ATOM 0 HH22 ARG A 112 7.908 17.457 3.203 1.00 0.00 H new ATOM 1688 N ASN A 113 6.445 9.670 4.742 1.00 0.00 N ATOM 1689 CA ASN A 113 6.250 9.597 6.183 1.00 0.00 C ATOM 1690 C ASN A 113 7.181 8.562 6.802 1.00 0.00 C ATOM 1691 O ASN A 113 7.980 8.876 7.685 1.00 0.00 O ATOM 1692 CB ASN A 113 4.795 9.250 6.507 1.00 0.00 C ATOM 1693 CG ASN A 113 4.044 10.419 7.113 1.00 0.00 C ATOM 1694 OD1 ASN A 113 3.074 10.914 6.539 1.00 0.00 O ATOM 1695 ND2 ASN A 113 4.489 10.865 8.282 1.00 0.00 N ATOM 0 H ASN A 113 6.814 8.816 4.324 1.00 0.00 H new ATOM 0 HA ASN A 113 6.485 10.573 6.607 1.00 0.00 H new ATOM 0 HB2 ASN A 113 4.289 8.929 5.596 1.00 0.00 H new ATOM 0 HB3 ASN A 113 4.770 8.408 7.199 1.00 0.00 H new ATOM 0 HD21 ASN A 113 4.023 11.648 8.740 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.297 10.424 8.722 1.00 0.00 H new ATOM 1702 N ARG A 114 7.058 7.323 6.342 1.00 0.00 N ATOM 1703 CA ARG A 114 7.875 6.232 6.856 1.00 0.00 C ATOM 1704 C ARG A 114 8.914 5.766 5.839 1.00 0.00 C ATOM 1705 O ARG A 114 9.608 4.774 6.065 1.00 0.00 O ATOM 1706 CB ARG A 114 6.981 5.059 7.253 1.00 0.00 C ATOM 1707 CG ARG A 114 6.522 5.105 8.700 1.00 0.00 C ATOM 1708 CD ARG A 114 7.626 4.669 9.650 1.00 0.00 C ATOM 1709 NE ARG A 114 8.503 5.778 10.017 1.00 0.00 N ATOM 1710 CZ ARG A 114 9.664 5.624 10.648 1.00 0.00 C ATOM 1711 NH1 ARG A 114 10.086 4.411 10.981 1.00 0.00 N ATOM 1712 NH2 ARG A 114 10.403 6.682 10.945 1.00 0.00 N ATOM 0 H ARG A 114 6.399 7.049 5.613 1.00 0.00 H new ATOM 0 HA ARG A 114 8.411 6.605 7.729 1.00 0.00 H new ATOM 0 HB2 ARG A 114 6.106 5.044 6.604 1.00 0.00 H new ATOM 0 HB3 ARG A 114 7.521 4.128 7.081 1.00 0.00 H new ATOM 0 HG2 ARG A 114 6.205 6.117 8.950 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.654 4.458 8.828 1.00 0.00 H new ATOM 0 HD2 ARG A 114 7.182 4.245 10.551 1.00 0.00 H new ATOM 0 HD3 ARG A 114 8.216 3.880 9.183 1.00 0.00 H new ATOM 0 HE ARG A 114 8.208 6.724 9.776 1.00 0.00 H new ATOM 0 HH11 ARG A 114 9.520 3.594 10.753 1.00 0.00 H new ATOM 0 HH12 ARG A 114 10.977 4.296 11.465 1.00 0.00 H new ATOM 0 HH21 ARG A 114 10.082 7.616 10.690 1.00 0.00 H new ATOM 0 HH22 ARG A 114 11.293 6.563 11.429 1.00 0.00 H new ATOM 1726 N CYS A 115 9.018 6.473 4.719 1.00 0.00 N ATOM 1727 CA CYS A 115 9.976 6.105 3.681 1.00 0.00 C ATOM 1728 C CYS A 115 11.033 7.183 3.480 1.00 0.00 C ATOM 1729 O CYS A 115 12.229 6.893 3.480 1.00 0.00 O ATOM 1730 CB CYS A 115 9.253 5.827 2.365 1.00 0.00 C ATOM 1731 SG CYS A 115 7.941 4.575 2.502 1.00 0.00 S ATOM 0 H CYS A 115 8.456 7.297 4.507 1.00 0.00 H new ATOM 0 HA CYS A 115 10.484 5.199 4.010 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.819 6.756 1.996 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.981 5.498 1.623 1.00 0.00 H new ATOM 1736 N LYS A 116 10.593 8.426 3.305 1.00 0.00 N ATOM 1737 CA LYS A 116 11.516 9.535 3.100 1.00 0.00 C ATOM 1738 C LYS A 116 12.345 9.788 4.354 1.00 0.00 C ATOM 1739 O LYS A 116 12.005 10.641 5.176 1.00 0.00 O ATOM 1740 CB LYS A 116 10.748 10.801 2.716 1.00 0.00 C ATOM 1741 CG LYS A 116 11.647 11.967 2.334 1.00 0.00 C ATOM 1742 CD LYS A 116 12.162 11.831 0.911 1.00 0.00 C ATOM 1743 CE LYS A 116 12.972 13.048 0.493 1.00 0.00 C ATOM 1744 NZ LYS A 116 14.266 13.131 1.224 1.00 0.00 N ATOM 0 H LYS A 116 9.607 8.689 3.301 1.00 0.00 H new ATOM 0 HA LYS A 116 12.191 9.269 2.287 1.00 0.00 H new ATOM 0 HB2 LYS A 116 10.086 10.575 1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.115 11.100 3.552 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.095 12.901 2.434 1.00 0.00 H new ATOM 0 HG3 LYS A 116 12.490 12.019 3.023 1.00 0.00 H new ATOM 0 HD2 LYS A 116 12.779 10.936 0.830 1.00 0.00 H new ATOM 0 HD3 LYS A 116 11.321 11.701 0.230 1.00 0.00 H new ATOM 0 HE2 LYS A 116 13.163 13.006 -0.579 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.392 13.952 0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 14.803 13.955 0.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 14.083 13.231 2.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 14.817 12.265 1.054 1.00 0.00 H new ATOM 1758 N GLY A 117 13.436 9.041 4.498 1.00 0.00 N ATOM 1759 CA GLY A 117 14.296 9.198 5.654 1.00 0.00 C ATOM 1760 C GLY A 117 14.890 7.884 6.122 1.00 0.00 C ATOM 1761 O GLY A 117 15.719 7.863 7.032 1.00 0.00 O ATOM 0 H GLY A 117 13.739 8.329 3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 117 15.102 9.891 5.411 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.726 9.645 6.468 1.00 0.00 H new ATOM 1765 N THR A 118 14.470 6.785 5.501 1.00 0.00 N ATOM 1766 CA THR A 118 14.969 5.463 5.862 1.00 0.00 C ATOM 1767 C THR A 118 15.714 4.825 4.691 1.00 0.00 C ATOM 1768 O THR A 118 16.342 5.522 3.894 1.00 0.00 O ATOM 1769 CB THR A 118 13.823 4.535 6.305 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.876 4.383 5.241 1.00 0.00 O ATOM 1771 CG2 THR A 118 13.123 5.090 7.537 1.00 0.00 C ATOM 0 H THR A 118 13.785 6.785 4.745 1.00 0.00 H new ATOM 0 HA THR A 118 15.657 5.594 6.697 1.00 0.00 H new ATOM 0 HB THR A 118 14.248 3.563 6.554 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.151 3.790 5.530 1.00 0.00 H new ATOM 0 HG21 THR A 118 12.317 4.418 7.831 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.839 5.178 8.354 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.710 6.073 7.309 1.00 0.00 H new ATOM 1779 N ASP A 119 15.646 3.499 4.590 1.00 0.00 N ATOM 1780 CA ASP A 119 16.320 2.783 3.514 1.00 0.00 C ATOM 1781 C ASP A 119 15.393 1.787 2.829 1.00 0.00 C ATOM 1782 O ASP A 119 15.163 0.687 3.331 1.00 0.00 O ATOM 1783 CB ASP A 119 17.543 2.072 4.039 1.00 0.00 C ATOM 1784 CG ASP A 119 18.637 1.948 2.997 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.387 1.325 1.943 1.00 0.00 O ATOM 1786 OD2 ASP A 119 19.746 2.474 3.235 1.00 0.00 O ATOM 0 H ASP A 119 15.132 2.902 5.239 1.00 0.00 H new ATOM 0 HA ASP A 119 16.624 3.522 2.772 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.929 2.612 4.904 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.260 1.077 4.384 1.00 0.00 H new ATOM 1791 N VAL A 120 14.871 2.183 1.675 1.00 0.00 N ATOM 1792 CA VAL A 120 13.974 1.338 0.900 1.00 0.00 C ATOM 1793 C VAL A 120 14.752 0.228 0.210 1.00 0.00 C ATOM 1794 O VAL A 120 14.248 -0.880 0.031 1.00 0.00 O ATOM 1795 CB VAL A 120 13.205 2.151 -0.157 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.188 3.066 0.508 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.167 2.951 -1.022 1.00 0.00 C ATOM 0 H VAL A 120 15.056 3.093 1.253 1.00 0.00 H new ATOM 0 HA VAL A 120 13.255 0.905 1.596 1.00 0.00 H new ATOM 0 HB VAL A 120 12.667 1.455 -0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.654 3.632 -0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.478 2.467 1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.702 3.755 1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.604 3.519 -1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.736 3.637 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.851 2.271 -1.529 1.00 0.00 H new ATOM 1807 N GLN A 121 15.994 0.529 -0.161 1.00 0.00 N ATOM 1808 CA GLN A 121 16.848 -0.452 -0.812 1.00 0.00 C ATOM 1809 C GLN A 121 17.040 -1.645 0.112 1.00 0.00 C ATOM 1810 O GLN A 121 17.326 -2.757 -0.332 1.00 0.00 O ATOM 1811 CB GLN A 121 18.204 0.165 -1.166 1.00 0.00 C ATOM 1812 CG GLN A 121 18.896 -0.517 -2.334 1.00 0.00 C ATOM 1813 CD GLN A 121 19.969 0.350 -2.963 1.00 0.00 C ATOM 1814 OE1 GLN A 121 19.711 1.486 -3.361 1.00 0.00 O ATOM 1815 NE2 GLN A 121 21.182 -0.184 -3.056 1.00 0.00 N ATOM 0 H GLN A 121 16.427 1.442 -0.021 1.00 0.00 H new ATOM 0 HA GLN A 121 16.372 -0.781 -1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.063 1.219 -1.403 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.854 0.119 -0.292 1.00 0.00 H new ATOM 0 HG2 GLN A 121 19.343 -1.451 -1.992 1.00 0.00 H new ATOM 0 HG3 GLN A 121 18.155 -0.776 -3.090 1.00 0.00 H new ATOM 0 HE21 GLN A 121 21.351 -1.130 -2.713 1.00 0.00 H new ATOM 0 HE22 GLN A 121 21.945 0.352 -3.471 1.00 0.00 H new ATOM 1824 N ALA A 122 16.858 -1.396 1.405 1.00 0.00 N ATOM 1825 CA ALA A 122 16.985 -2.433 2.415 1.00 0.00 C ATOM 1826 C ALA A 122 15.642 -3.113 2.648 1.00 0.00 C ATOM 1827 O ALA A 122 15.583 -4.238 3.145 1.00 0.00 O ATOM 1828 CB ALA A 122 17.519 -1.848 3.713 1.00 0.00 C ATOM 0 H ALA A 122 16.620 -0.476 1.777 1.00 0.00 H new ATOM 0 HA ALA A 122 17.693 -3.180 2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.608 -2.638 4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.499 -1.404 3.536 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.834 -1.082 4.076 1.00 0.00 H new ATOM 1834 N TRP A 123 14.562 -2.425 2.278 1.00 0.00 N ATOM 1835 CA TRP A 123 13.217 -2.976 2.442 1.00 0.00 C ATOM 1836 C TRP A 123 13.047 -4.245 1.610 1.00 0.00 C ATOM 1837 O TRP A 123 12.125 -5.028 1.838 1.00 0.00 O ATOM 1838 CB TRP A 123 12.158 -1.949 2.040 1.00 0.00 C ATOM 1839 CG TRP A 123 11.698 -1.078 3.173 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.483 0.268 3.129 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.393 -1.489 4.513 1.00 0.00 C ATOM 1842 NE1 TRP A 123 11.067 0.717 4.359 1.00 0.00 N ATOM 1843 CE2 TRP A 123 11.006 -0.346 5.221 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.410 -2.710 5.185 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.643 -0.397 6.559 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 11.049 -2.758 6.512 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.669 -1.605 7.188 1.00 0.00 C ATOM 0 H TRP A 123 14.591 -1.492 1.866 1.00 0.00 H new ATOM 0 HA TRP A 123 13.085 -3.225 3.495 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.560 -1.317 1.248 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.297 -2.472 1.624 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.620 0.889 2.256 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.841 1.684 4.592 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.704 -3.612 4.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.348 0.497 7.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 11.061 -3.703 7.034 1.00 0.00 H new ATOM 0 HH2 TRP A 123 10.390 -1.668 8.229 1.00 0.00 H new ATOM 1858 N ILE A 124 13.945 -4.442 0.649 1.00 0.00 N ATOM 1859 CA ILE A 124 13.899 -5.616 -0.214 1.00 0.00 C ATOM 1860 C ILE A 124 15.226 -6.367 -0.184 1.00 0.00 C ATOM 1861 O ILE A 124 15.488 -7.225 -1.026 1.00 0.00 O ATOM 1862 CB ILE A 124 13.571 -5.235 -1.670 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.497 -4.117 -2.150 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.114 -4.814 -1.792 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.389 -4.523 -3.304 1.00 0.00 C ATOM 0 H ILE A 124 14.714 -3.802 0.449 1.00 0.00 H new ATOM 0 HA ILE A 124 13.107 -6.260 0.169 1.00 0.00 H new ATOM 0 HB ILE A 124 13.731 -6.108 -2.303 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.893 -3.261 -2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.120 -3.790 -1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.898 -4.548 -2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.470 -5.639 -1.487 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.929 -3.953 -1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 124 16.018 -3.681 -3.591 1.00 0.00 H new ATOM 0 HD12 ILE A 124 16.019 -5.359 -3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.773 -4.822 -4.152 1.00 0.00 H new ATOM 1877 N ARG A 125 16.061 -6.032 0.796 1.00 0.00 N ATOM 1878 CA ARG A 125 17.364 -6.668 0.945 1.00 0.00 C ATOM 1879 C ARG A 125 17.215 -8.149 1.280 1.00 0.00 C ATOM 1880 O ARG A 125 16.989 -8.515 2.433 1.00 0.00 O ATOM 1881 CB ARG A 125 18.175 -5.965 2.036 1.00 0.00 C ATOM 1882 CG ARG A 125 19.656 -5.845 1.712 1.00 0.00 C ATOM 1883 CD ARG A 125 20.496 -5.748 2.974 1.00 0.00 C ATOM 1884 NE ARG A 125 20.459 -6.984 3.753 1.00 0.00 N ATOM 1885 CZ ARG A 125 21.518 -7.497 4.373 1.00 0.00 C ATOM 1886 NH1 ARG A 125 22.692 -6.885 4.304 1.00 0.00 N ATOM 1887 NH2 ARG A 125 21.403 -8.625 5.060 1.00 0.00 N ATOM 0 H ARG A 125 15.857 -5.322 1.499 1.00 0.00 H new ATOM 0 HA ARG A 125 17.892 -6.582 -0.005 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.765 -4.968 2.196 1.00 0.00 H new ATOM 0 HB3 ARG A 125 18.060 -6.512 2.972 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.973 -6.709 1.128 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.824 -4.963 1.093 1.00 0.00 H new ATOM 0 HD2 ARG A 125 21.527 -5.519 2.706 1.00 0.00 H new ATOM 0 HD3 ARG A 125 20.135 -4.922 3.587 1.00 0.00 H new ATOM 0 HE ARG A 125 19.571 -7.481 3.825 1.00 0.00 H new ATOM 0 HH11 ARG A 125 22.785 -6.018 3.774 1.00 0.00 H new ATOM 0 HH12 ARG A 125 23.502 -7.281 4.781 1.00 0.00 H new ATOM 0 HH21 ARG A 125 20.502 -9.100 5.113 1.00 0.00 H new ATOM 0 HH22 ARG A 125 22.216 -9.018 5.535 1.00 0.00 H new ATOM 1901 N GLY A 126 17.346 -8.997 0.263 1.00 0.00 N ATOM 1902 CA GLY A 126 17.224 -10.429 0.469 1.00 0.00 C ATOM 1903 C GLY A 126 16.033 -11.024 -0.256 1.00 0.00 C ATOM 1904 O GLY A 126 15.831 -12.238 -0.239 1.00 0.00 O ATOM 0 H GLY A 126 17.534 -8.717 -0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.135 -10.920 0.127 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.133 -10.632 1.536 1.00 0.00 H new ATOM 1908 N CYS A 127 15.243 -10.167 -0.895 1.00 0.00 N ATOM 1909 CA CYS A 127 14.066 -10.610 -1.628 1.00 0.00 C ATOM 1910 C CYS A 127 14.452 -11.392 -2.879 1.00 0.00 C ATOM 1911 O CYS A 127 15.220 -10.911 -3.712 1.00 0.00 O ATOM 1912 CB CYS A 127 13.206 -9.420 -1.999 1.00 0.00 C ATOM 1913 SG CYS A 127 11.935 -9.006 -0.762 1.00 0.00 S ATOM 0 H CYS A 127 15.399 -9.159 -0.919 1.00 0.00 H new ATOM 0 HA CYS A 127 13.496 -11.276 -0.980 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.849 -8.553 -2.147 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.718 -9.621 -2.952 1.00 0.00 H new ATOM 1918 N ARG A 128 13.915 -12.601 -3.000 1.00 0.00 N ATOM 1919 CA ARG A 128 14.201 -13.454 -4.148 1.00 0.00 C ATOM 1920 C ARG A 128 13.373 -13.032 -5.357 1.00 0.00 C ATOM 1921 O ARG A 128 12.247 -13.493 -5.543 1.00 0.00 O ATOM 1922 CB ARG A 128 13.917 -14.918 -3.805 1.00 0.00 C ATOM 1923 CG ARG A 128 14.660 -15.410 -2.574 1.00 0.00 C ATOM 1924 CD ARG A 128 13.876 -16.488 -1.843 1.00 0.00 C ATOM 1925 NE ARG A 128 13.569 -16.104 -0.468 1.00 0.00 N ATOM 1926 CZ ARG A 128 13.255 -16.973 0.488 1.00 0.00 C ATOM 1927 NH1 ARG A 128 13.207 -18.271 0.220 1.00 0.00 N ATOM 1928 NH2 ARG A 128 12.989 -16.544 1.714 1.00 0.00 N ATOM 0 H ARG A 128 13.279 -13.013 -2.317 1.00 0.00 H new ATOM 0 HA ARG A 128 15.257 -13.345 -4.397 1.00 0.00 H new ATOM 0 HB2 ARG A 128 12.846 -15.044 -3.647 1.00 0.00 H new ATOM 0 HB3 ARG A 128 14.189 -15.541 -4.657 1.00 0.00 H new ATOM 0 HG2 ARG A 128 15.633 -15.803 -2.868 1.00 0.00 H new ATOM 0 HG3 ARG A 128 14.844 -14.573 -1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 128 12.948 -16.688 -2.379 1.00 0.00 H new ATOM 0 HD3 ARG A 128 14.449 -17.415 -1.841 1.00 0.00 H new ATOM 0 HE ARG A 128 13.597 -15.113 -0.227 1.00 0.00 H new ATOM 0 HH11 ARG A 128 13.411 -18.605 -0.722 1.00 0.00 H new ATOM 0 HH12 ARG A 128 12.966 -18.935 0.956 1.00 0.00 H new ATOM 0 HH21 ARG A 128 13.025 -15.547 1.924 1.00 0.00 H new ATOM 0 HH22 ARG A 128 12.748 -17.211 2.447 1.00 0.00 H new ATOM 1942 N LEU A 129 13.941 -12.153 -6.177 1.00 0.00 N ATOM 1943 CA LEU A 129 13.257 -11.668 -7.369 1.00 0.00 C ATOM 1944 C LEU A 129 14.259 -11.233 -8.435 1.00 0.00 C ATOM 1945 O LEU A 129 15.433 -11.002 -8.080 1.00 0.00 O ATOM 1946 CB LEU A 129 12.331 -10.502 -7.012 1.00 0.00 C ATOM 1947 CG LEU A 129 13.041 -9.193 -6.660 1.00 0.00 C ATOM 1948 CD1 LEU A 129 12.910 -8.191 -7.796 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.481 -8.614 -5.369 1.00 0.00 C ATOM 1950 OXT LEU A 129 13.860 -11.128 -9.613 1.00 0.00 O ATOM 0 H LEU A 129 14.873 -11.763 -6.037 1.00 0.00 H new ATOM 0 HA LEU A 129 12.660 -12.486 -7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.662 -10.319 -7.853 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.709 -10.798 -6.168 1.00 0.00 H new ATOM 0 HG LEU A 129 14.100 -9.405 -6.511 1.00 0.00 H new ATOM 0 HD11 LEU A 129 13.421 -7.267 -7.527 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.359 -8.604 -8.699 1.00 0.00 H new ATOM 0 HD13 LEU A 129 11.856 -7.983 -7.978 1.00 0.00 H new ATOM 0 HD21 LEU A 129 12.997 -7.683 -5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.416 -8.417 -5.490 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.628 -9.326 -4.557 1.00 0.00 H new