USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 756 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 76 SER OG : rot 25:sc= 1.16 USER MOD Set 1.2: A 78 TYR OH : rot -63:sc= 0.627 USER MOD Set 2.1: A 71 GLN : amide:sc= -2.16 K(o=-7.7,f=-19!) USER MOD Set 2.2: A 72 MET CE :methyl 164:sc= -5.54! (180deg=-6.3!) USER MOD Single : A 1 GLY N :NH3+ -103:sc= 0.0697 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 12:sc= 0.813 USER MOD Single : A 6 SER OG : rot 18:sc= 0.116 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0.129 USER MOD Single : A 19 GLN : amide:sc= -2.52 K(o=-2.5,f=-5!) USER MOD Single : A 22 LYS NZ :NH3+ -150:sc= -0.337 (180deg=-1.56!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0615) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.648 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0364 X(o=-0.036,f=-0.0027) USER MOD Single : A 46 GLN : amide:sc= -0.014 X(o=-0.014,f=-0.33) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0554 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS :FLIP no HD1:sc= -1.42 F(o=-2.2!,f=-1.4) USER MOD Single : A 59 LYS NZ :NH3+ -120:sc= -1.19! (180deg=-5.39!) USER MOD Single : A 61 CYS SG : rot 180:sc= -0.735 USER MOD Single : A 62 GLN : amide:sc= -0.455 X(o=-0.46,f=-0.04) USER MOD Single : A 68 ASN : amide:sc=-0.00136 K(o=-0.0014,f=-1.1) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 70 CYS SG : rot 34:sc= -2.31! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 83:sc= 0.0075 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 CYS SG : rot -110:sc= -1.08 USER MOD Single : A 88 SER OG : rot 23:sc= 0.954 USER MOD Single : A 89 THR OG1 : rot 178:sc= 1.05 USER MOD Single : A 95 SER OG : rot 35:sc= 1.21 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.383 7.683 -26.966 1.00 0.00 N ATOM 2 CA GLY A 1 -10.185 8.179 -25.863 1.00 0.00 C ATOM 3 C GLY A 1 -10.901 7.068 -25.120 1.00 0.00 C ATOM 4 O GLY A 1 -11.067 5.968 -25.646 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.380 7.679 -26.692 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.680 6.715 -27.204 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.513 8.299 -27.794 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.545 8.723 -25.168 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.919 8.890 -26.243 1.00 0.00 H new ATOM 8 N SER A 2 -11.323 7.355 -23.893 1.00 0.00 N ATOM 9 CA SER A 2 -12.020 6.370 -23.075 1.00 0.00 C ATOM 10 C SER A 2 -13.532 6.511 -23.223 1.00 0.00 C ATOM 11 O SER A 2 -14.179 7.217 -22.450 1.00 0.00 O ATOM 12 CB SER A 2 -11.623 6.524 -21.605 1.00 0.00 C ATOM 13 OG SER A 2 -12.060 5.415 -20.840 1.00 0.00 O ATOM 0 H SER A 2 -11.194 8.262 -23.444 1.00 0.00 H new ATOM 0 HA SER A 2 -11.730 5.378 -23.420 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.540 6.620 -21.526 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.055 7.440 -21.202 1.00 0.00 H new ATOM 0 HG SER A 2 -11.793 5.537 -19.905 1.00 0.00 H new ATOM 19 N SER A 3 -14.088 5.834 -24.223 1.00 0.00 N ATOM 20 CA SER A 3 -15.523 5.886 -24.476 1.00 0.00 C ATOM 21 C SER A 3 -16.253 4.804 -23.688 1.00 0.00 C ATOM 22 O SER A 3 -17.171 4.162 -24.197 1.00 0.00 O ATOM 23 CB SER A 3 -15.804 5.722 -25.971 1.00 0.00 C ATOM 24 OG SER A 3 -15.281 6.812 -26.711 1.00 0.00 O ATOM 0 H SER A 3 -13.567 5.243 -24.871 1.00 0.00 H new ATOM 0 HA SER A 3 -15.890 6.859 -24.149 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.362 4.791 -26.327 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.879 5.649 -26.136 1.00 0.00 H new ATOM 0 HG SER A 3 -15.472 6.683 -27.663 1.00 0.00 H new ATOM 30 N GLY A 4 -15.838 4.607 -22.440 1.00 0.00 N ATOM 31 CA GLY A 4 -16.463 3.602 -21.600 1.00 0.00 C ATOM 32 C GLY A 4 -15.484 2.960 -20.638 1.00 0.00 C ATOM 33 O GLY A 4 -14.281 2.921 -20.899 1.00 0.00 O ATOM 0 H GLY A 4 -15.080 5.126 -21.996 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.276 4.059 -21.035 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.907 2.831 -22.230 1.00 0.00 H new ATOM 37 N SER A 5 -15.998 2.456 -19.521 1.00 0.00 N ATOM 38 CA SER A 5 -15.159 1.817 -18.513 1.00 0.00 C ATOM 39 C SER A 5 -15.982 0.876 -17.639 1.00 0.00 C ATOM 40 O SER A 5 -17.133 1.162 -17.312 1.00 0.00 O ATOM 41 CB SER A 5 -14.477 2.874 -17.642 1.00 0.00 C ATOM 42 OG SER A 5 -13.432 3.520 -18.349 1.00 0.00 O ATOM 0 H SER A 5 -16.991 2.478 -19.291 1.00 0.00 H new ATOM 0 HA SER A 5 -14.396 1.233 -19.028 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.211 3.612 -17.318 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.077 2.406 -16.743 1.00 0.00 H new ATOM 0 HG SER A 5 -13.488 3.289 -19.300 1.00 0.00 H new ATOM 48 N SER A 6 -15.381 -0.249 -17.264 1.00 0.00 N ATOM 49 CA SER A 6 -16.058 -1.236 -16.431 1.00 0.00 C ATOM 50 C SER A 6 -15.073 -1.917 -15.486 1.00 0.00 C ATOM 51 O SER A 6 -13.953 -2.249 -15.872 1.00 0.00 O ATOM 52 CB SER A 6 -16.751 -2.283 -17.305 1.00 0.00 C ATOM 53 OG SER A 6 -17.995 -1.803 -17.785 1.00 0.00 O ATOM 0 H SER A 6 -14.427 -0.499 -17.524 1.00 0.00 H new ATOM 0 HA SER A 6 -16.808 -0.718 -15.834 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.108 -2.542 -18.146 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.907 -3.196 -16.730 1.00 0.00 H new ATOM 0 HG SER A 6 -18.024 -0.827 -17.701 1.00 0.00 H new ATOM 59 N GLY A 7 -15.500 -2.123 -14.243 1.00 0.00 N ATOM 60 CA GLY A 7 -14.644 -2.763 -13.262 1.00 0.00 C ATOM 61 C GLY A 7 -13.540 -1.848 -12.769 1.00 0.00 C ATOM 62 O GLY A 7 -12.374 -2.026 -13.120 1.00 0.00 O ATOM 0 H GLY A 7 -16.423 -1.858 -13.899 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.248 -3.088 -12.415 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.201 -3.658 -13.700 1.00 0.00 H new ATOM 66 N ALA A 8 -13.909 -0.864 -11.956 1.00 0.00 N ATOM 67 CA ALA A 8 -12.942 0.082 -11.414 1.00 0.00 C ATOM 68 C ALA A 8 -13.017 0.134 -9.892 1.00 0.00 C ATOM 69 O ALA A 8 -13.840 0.852 -9.326 1.00 0.00 O ATOM 70 CB ALA A 8 -13.171 1.466 -12.003 1.00 0.00 C ATOM 0 H ALA A 8 -14.871 -0.701 -11.658 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.944 -0.259 -11.690 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.442 2.163 -11.589 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.058 1.424 -13.086 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.177 1.805 -11.756 1.00 0.00 H new ATOM 76 N ALA A 9 -12.152 -0.633 -9.235 1.00 0.00 N ATOM 77 CA ALA A 9 -12.120 -0.673 -7.779 1.00 0.00 C ATOM 78 C ALA A 9 -11.121 0.337 -7.224 1.00 0.00 C ATOM 79 O ALA A 9 -11.404 1.032 -6.247 1.00 0.00 O ATOM 80 CB ALA A 9 -11.778 -2.075 -7.297 1.00 0.00 C ATOM 0 H ALA A 9 -11.465 -1.235 -9.689 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.110 -0.405 -7.411 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.758 -2.090 -6.207 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.531 -2.777 -7.656 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.800 -2.364 -7.682 1.00 0.00 H new ATOM 86 N PHE A 10 -9.952 0.413 -7.851 1.00 0.00 N ATOM 87 CA PHE A 10 -8.911 1.337 -7.418 1.00 0.00 C ATOM 88 C PHE A 10 -8.913 2.599 -8.276 1.00 0.00 C ATOM 89 O PHE A 10 -8.538 2.567 -9.448 1.00 0.00 O ATOM 90 CB PHE A 10 -7.539 0.662 -7.487 1.00 0.00 C ATOM 91 CG PHE A 10 -7.269 -0.265 -6.337 1.00 0.00 C ATOM 92 CD1 PHE A 10 -7.035 0.236 -5.067 1.00 0.00 C ATOM 93 CD2 PHE A 10 -7.250 -1.637 -6.526 1.00 0.00 C ATOM 94 CE1 PHE A 10 -6.785 -0.615 -4.007 1.00 0.00 C ATOM 95 CE2 PHE A 10 -7.002 -2.493 -5.470 1.00 0.00 C ATOM 96 CZ PHE A 10 -6.770 -1.982 -4.208 1.00 0.00 C ATOM 0 H PHE A 10 -9.702 -0.154 -8.661 1.00 0.00 H new ATOM 0 HA PHE A 10 -9.118 1.620 -6.386 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.465 0.103 -8.420 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.766 1.430 -7.514 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.048 1.303 -4.903 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.431 -2.043 -7.510 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.601 -0.212 -3.022 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -6.990 -3.561 -5.631 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.577 -2.649 -3.381 1.00 0.00 H new ATOM 106 N ALA A 11 -9.338 3.710 -7.683 1.00 0.00 N ATOM 107 CA ALA A 11 -9.388 4.983 -8.392 1.00 0.00 C ATOM 108 C ALA A 11 -7.986 5.479 -8.728 1.00 0.00 C ATOM 109 O ALA A 11 -7.772 6.117 -9.760 1.00 0.00 O ATOM 110 CB ALA A 11 -10.132 6.020 -7.563 1.00 0.00 C ATOM 0 H ALA A 11 -9.653 3.754 -6.714 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.925 4.829 -9.328 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.162 6.966 -8.104 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.150 5.676 -7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.618 6.162 -6.612 1.00 0.00 H new ATOM 116 N LYS A 12 -7.032 5.184 -7.851 1.00 0.00 N ATOM 117 CA LYS A 12 -5.650 5.599 -8.055 1.00 0.00 C ATOM 118 C LYS A 12 -4.682 4.529 -7.560 1.00 0.00 C ATOM 119 O LYS A 12 -4.487 4.365 -6.355 1.00 0.00 O ATOM 120 CB LYS A 12 -5.380 6.920 -7.331 1.00 0.00 C ATOM 121 CG LYS A 12 -3.994 7.483 -7.589 1.00 0.00 C ATOM 122 CD LYS A 12 -3.795 8.818 -6.890 1.00 0.00 C ATOM 123 CE LYS A 12 -2.472 9.459 -7.279 1.00 0.00 C ATOM 124 NZ LYS A 12 -1.347 8.965 -6.438 1.00 0.00 N ATOM 0 H LYS A 12 -7.192 4.659 -6.991 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.493 5.739 -9.125 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.124 7.653 -7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.508 6.770 -6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.242 6.774 -7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.845 7.607 -8.662 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.615 9.489 -7.145 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.827 8.673 -5.810 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.261 9.248 -8.327 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.550 10.542 -7.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.463 9.426 -6.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.536 9.188 -5.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.255 7.935 -6.551 1.00 0.00 H new ATOM 138 N ILE A 13 -4.077 3.806 -8.496 1.00 0.00 N ATOM 139 CA ILE A 13 -3.128 2.754 -8.154 1.00 0.00 C ATOM 140 C ILE A 13 -1.805 3.342 -7.675 1.00 0.00 C ATOM 141 O ILE A 13 -1.494 4.503 -7.947 1.00 0.00 O ATOM 142 CB ILE A 13 -2.859 1.826 -9.353 1.00 0.00 C ATOM 143 CG1 ILE A 13 -2.292 2.625 -10.528 1.00 0.00 C ATOM 144 CG2 ILE A 13 -4.136 1.107 -9.762 1.00 0.00 C ATOM 145 CD1 ILE A 13 -1.651 1.762 -11.592 1.00 0.00 C ATOM 0 H ILE A 13 -4.227 3.929 -9.497 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.578 2.173 -7.349 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.122 1.079 -9.057 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.093 3.210 -10.980 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.554 3.333 -10.153 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.930 0.455 -10.611 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.501 0.511 -8.926 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.892 1.840 -10.043 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.271 2.395 -12.394 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.828 1.197 -11.155 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.392 1.071 -11.995 1.00 0.00 H new ATOM 157 N LEU A 14 -1.028 2.534 -6.962 1.00 0.00 N ATOM 158 CA LEU A 14 0.264 2.973 -6.446 1.00 0.00 C ATOM 159 C LEU A 14 1.243 3.239 -7.585 1.00 0.00 C ATOM 160 O LEU A 14 1.284 2.498 -8.568 1.00 0.00 O ATOM 161 CB LEU A 14 0.841 1.921 -5.497 1.00 0.00 C ATOM 162 CG LEU A 14 -0.048 1.520 -4.320 1.00 0.00 C ATOM 163 CD1 LEU A 14 0.218 0.078 -3.916 1.00 0.00 C ATOM 164 CD2 LEU A 14 0.175 2.456 -3.140 1.00 0.00 C ATOM 0 H LEU A 14 -1.270 1.571 -6.728 1.00 0.00 H new ATOM 0 HA LEU A 14 0.112 3.903 -5.898 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.070 1.026 -6.075 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.785 2.296 -5.102 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.089 1.602 -4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.424 -0.189 -3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.007 -0.581 -4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.262 -0.031 -3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.466 2.156 -2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.218 2.406 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.067 3.477 -3.435 1.00 0.00 H new ATOM 176 N ASP A 15 2.032 4.298 -7.445 1.00 0.00 N ATOM 177 CA ASP A 15 3.015 4.660 -8.460 1.00 0.00 C ATOM 178 C ASP A 15 3.730 3.421 -8.990 1.00 0.00 C ATOM 179 O ASP A 15 3.840 2.400 -8.310 1.00 0.00 O ATOM 180 CB ASP A 15 4.033 5.646 -7.886 1.00 0.00 C ATOM 181 CG ASP A 15 3.429 7.010 -7.616 1.00 0.00 C ATOM 182 OD1 ASP A 15 2.364 7.069 -6.968 1.00 0.00 O ATOM 183 OD2 ASP A 15 4.021 8.019 -8.054 1.00 0.00 O ATOM 0 H ASP A 15 2.010 4.922 -6.638 1.00 0.00 H new ATOM 0 HA ASP A 15 2.488 5.135 -9.288 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.442 5.243 -6.959 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.865 5.752 -8.582 1.00 0.00 H new ATOM 188 N PRO A 16 4.228 3.510 -10.232 1.00 0.00 N ATOM 189 CA PRO A 16 4.941 2.406 -10.880 1.00 0.00 C ATOM 190 C PRO A 16 6.303 2.145 -10.248 1.00 0.00 C ATOM 191 O PRO A 16 6.962 1.152 -10.557 1.00 0.00 O ATOM 192 CB PRO A 16 5.105 2.888 -12.324 1.00 0.00 C ATOM 193 CG PRO A 16 5.067 4.375 -12.233 1.00 0.00 C ATOM 194 CD PRO A 16 4.133 4.697 -11.099 1.00 0.00 C ATOM 0 HA PRO A 16 4.401 1.464 -10.789 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.045 2.541 -12.753 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.306 2.510 -12.961 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.062 4.780 -12.046 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.714 4.814 -13.166 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.435 5.603 -10.574 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.114 4.857 -11.451 1.00 0.00 H new ATOM 202 N ALA A 17 6.721 3.043 -9.361 1.00 0.00 N ATOM 203 CA ALA A 17 8.004 2.908 -8.684 1.00 0.00 C ATOM 204 C ALA A 17 8.186 3.995 -7.630 1.00 0.00 C ATOM 205 O ALA A 17 7.830 5.153 -7.851 1.00 0.00 O ATOM 206 CB ALA A 17 9.142 2.954 -9.693 1.00 0.00 C ATOM 0 H ALA A 17 6.189 3.872 -9.095 1.00 0.00 H new ATOM 0 HA ALA A 17 8.019 1.942 -8.179 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.094 2.852 -9.172 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.029 2.138 -10.406 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.119 3.906 -10.224 1.00 0.00 H new ATOM 212 N TYR A 18 8.740 3.615 -6.484 1.00 0.00 N ATOM 213 CA TYR A 18 8.965 4.557 -5.394 1.00 0.00 C ATOM 214 C TYR A 18 10.454 4.690 -5.089 1.00 0.00 C ATOM 215 O TYR A 18 11.261 3.861 -5.508 1.00 0.00 O ATOM 216 CB TYR A 18 8.214 4.107 -4.140 1.00 0.00 C ATOM 217 CG TYR A 18 6.714 4.265 -4.243 1.00 0.00 C ATOM 218 CD1 TYR A 18 5.977 3.512 -5.148 1.00 0.00 C ATOM 219 CD2 TYR A 18 6.034 5.168 -3.434 1.00 0.00 C ATOM 220 CE1 TYR A 18 4.606 3.655 -5.246 1.00 0.00 C ATOM 221 CE2 TYR A 18 4.664 5.315 -3.524 1.00 0.00 C ATOM 222 CZ TYR A 18 3.954 4.557 -4.432 1.00 0.00 C ATOM 223 OH TYR A 18 2.589 4.700 -4.525 1.00 0.00 O ATOM 0 H TYR A 18 9.042 2.661 -6.286 1.00 0.00 H new ATOM 0 HA TYR A 18 8.588 5.531 -5.705 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.448 3.061 -3.942 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.574 4.681 -3.286 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.484 2.803 -5.786 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.586 5.765 -2.723 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.048 3.063 -5.957 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.151 6.020 -2.887 1.00 0.00 H new ATOM 0 HH TYR A 18 2.286 5.375 -3.882 1.00 0.00 H new ATOM 233 N GLN A 19 10.809 5.740 -4.355 1.00 0.00 N ATOM 234 CA GLN A 19 12.200 5.983 -3.993 1.00 0.00 C ATOM 235 C GLN A 19 12.297 6.673 -2.637 1.00 0.00 C ATOM 236 O GLN A 19 11.710 7.734 -2.425 1.00 0.00 O ATOM 237 CB GLN A 19 12.886 6.835 -5.062 1.00 0.00 C ATOM 238 CG GLN A 19 12.800 6.243 -6.460 1.00 0.00 C ATOM 239 CD GLN A 19 11.499 6.585 -7.159 1.00 0.00 C ATOM 240 OE1 GLN A 19 10.643 7.273 -6.602 1.00 0.00 O ATOM 241 NE2 GLN A 19 11.344 6.107 -8.388 1.00 0.00 N ATOM 0 H GLN A 19 10.153 6.435 -4.000 1.00 0.00 H new ATOM 0 HA GLN A 19 12.705 5.019 -3.927 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.435 7.827 -5.068 1.00 0.00 H new ATOM 0 HB3 GLN A 19 13.935 6.963 -4.795 1.00 0.00 H new ATOM 0 HG2 GLN A 19 13.636 6.608 -7.057 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.901 5.159 -6.399 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.079 5.541 -8.812 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.490 6.306 -8.909 1.00 0.00 H new ATOM 250 N VAL A 20 13.042 6.064 -1.720 1.00 0.00 N ATOM 251 CA VAL A 20 13.217 6.620 -0.383 1.00 0.00 C ATOM 252 C VAL A 20 14.652 6.446 0.101 1.00 0.00 C ATOM 253 O VAL A 20 15.414 5.654 -0.454 1.00 0.00 O ATOM 254 CB VAL A 20 12.262 5.959 0.629 1.00 0.00 C ATOM 255 CG1 VAL A 20 12.801 4.606 1.068 1.00 0.00 C ATOM 256 CG2 VAL A 20 12.043 6.870 1.827 1.00 0.00 C ATOM 0 H VAL A 20 13.534 5.185 -1.879 1.00 0.00 H new ATOM 0 HA VAL A 20 12.985 7.683 -0.449 1.00 0.00 H new ATOM 0 HB VAL A 20 11.300 5.798 0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.113 4.155 1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.901 3.955 0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 20 13.776 4.738 1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.366 6.388 2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.998 7.064 2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.608 7.812 1.493 1.00 0.00 H new ATOM 266 N ASP A 21 15.014 7.192 1.139 1.00 0.00 N ATOM 267 CA ASP A 21 16.359 7.120 1.700 1.00 0.00 C ATOM 268 C ASP A 21 16.485 5.938 2.657 1.00 0.00 C ATOM 269 O ASP A 21 15.495 5.476 3.225 1.00 0.00 O ATOM 270 CB ASP A 21 16.701 8.421 2.428 1.00 0.00 C ATOM 271 CG ASP A 21 18.187 8.718 2.412 1.00 0.00 C ATOM 272 OD1 ASP A 21 18.678 9.234 1.387 1.00 0.00 O ATOM 273 OD2 ASP A 21 18.860 8.435 3.426 1.00 0.00 O ATOM 0 H ASP A 21 14.396 7.853 1.609 1.00 0.00 H new ATOM 0 HA ASP A 21 17.062 6.977 0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.163 9.247 1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 21 16.357 8.358 3.460 1.00 0.00 H new ATOM 278 N LYS A 22 17.710 5.453 2.831 1.00 0.00 N ATOM 279 CA LYS A 22 17.968 4.326 3.719 1.00 0.00 C ATOM 280 C LYS A 22 17.368 4.573 5.100 1.00 0.00 C ATOM 281 O LYS A 22 17.184 5.717 5.511 1.00 0.00 O ATOM 282 CB LYS A 22 19.473 4.080 3.841 1.00 0.00 C ATOM 283 CG LYS A 22 19.822 2.783 4.550 1.00 0.00 C ATOM 284 CD LYS A 22 21.320 2.655 4.773 1.00 0.00 C ATOM 285 CE LYS A 22 21.741 3.274 6.097 1.00 0.00 C ATOM 286 NZ LYS A 22 21.858 4.756 6.004 1.00 0.00 N ATOM 0 H LYS A 22 18.540 5.823 2.368 1.00 0.00 H new ATOM 0 HA LYS A 22 17.496 3.442 3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 22 19.913 4.069 2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 22 19.926 4.912 4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 22 19.306 2.741 5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 22 19.468 1.938 3.960 1.00 0.00 H new ATOM 0 HD2 LYS A 22 21.603 1.602 4.756 1.00 0.00 H new ATOM 0 HD3 LYS A 22 21.853 3.142 3.957 1.00 0.00 H new ATOM 0 HE2 LYS A 22 21.014 3.015 6.867 1.00 0.00 H new ATOM 0 HE3 LYS A 22 22.697 2.853 6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 22.583 5.090 6.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 22.130 5.023 5.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 20.944 5.192 6.240 1.00 0.00 H new ATOM 300 N GLY A 23 17.068 3.491 5.812 1.00 0.00 N ATOM 301 CA GLY A 23 16.495 3.612 7.140 1.00 0.00 C ATOM 302 C GLY A 23 15.514 4.764 7.244 1.00 0.00 C ATOM 303 O GLY A 23 15.368 5.369 8.306 1.00 0.00 O ATOM 0 H GLY A 23 17.212 2.533 5.493 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.989 2.683 7.400 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.295 3.753 7.866 1.00 0.00 H new ATOM 307 N GLY A 24 14.842 5.069 6.139 1.00 0.00 N ATOM 308 CA GLY A 24 13.881 6.156 6.132 1.00 0.00 C ATOM 309 C GLY A 24 12.450 5.666 6.239 1.00 0.00 C ATOM 310 O GLY A 24 12.184 4.639 6.864 1.00 0.00 O ATOM 0 H GLY A 24 14.946 4.583 5.248 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.094 6.830 6.962 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.997 6.733 5.215 1.00 0.00 H new ATOM 314 N ARG A 25 11.527 6.402 5.630 1.00 0.00 N ATOM 315 CA ARG A 25 10.115 6.038 5.662 1.00 0.00 C ATOM 316 C ARG A 25 9.454 6.303 4.312 1.00 0.00 C ATOM 317 O ARG A 25 9.531 7.410 3.778 1.00 0.00 O ATOM 318 CB ARG A 25 9.390 6.819 6.759 1.00 0.00 C ATOM 319 CG ARG A 25 8.082 6.182 7.198 1.00 0.00 C ATOM 320 CD ARG A 25 7.330 7.070 8.176 1.00 0.00 C ATOM 321 NE ARG A 25 6.621 8.152 7.499 1.00 0.00 N ATOM 322 CZ ARG A 25 6.157 9.230 8.123 1.00 0.00 C ATOM 323 NH1 ARG A 25 6.327 9.368 9.430 1.00 0.00 N ATOM 324 NH2 ARG A 25 5.522 10.172 7.438 1.00 0.00 N ATOM 0 H ARG A 25 11.731 7.254 5.108 1.00 0.00 H new ATOM 0 HA ARG A 25 10.045 4.972 5.878 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.048 6.910 7.623 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.190 7.829 6.402 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.458 5.991 6.325 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.284 5.217 7.663 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.618 6.467 8.739 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.031 7.491 8.896 1.00 0.00 H new ATOM 0 HE ARG A 25 6.474 8.077 6.493 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.815 8.646 9.960 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.970 10.196 9.906 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.390 10.069 6.432 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.166 10.999 7.917 1.00 0.00 H new ATOM 338 N VAL A 26 8.805 5.280 3.766 1.00 0.00 N ATOM 339 CA VAL A 26 8.130 5.402 2.479 1.00 0.00 C ATOM 340 C VAL A 26 6.667 5.790 2.661 1.00 0.00 C ATOM 341 O VAL A 26 6.107 5.647 3.748 1.00 0.00 O ATOM 342 CB VAL A 26 8.206 4.088 1.679 1.00 0.00 C ATOM 343 CG1 VAL A 26 9.632 3.821 1.224 1.00 0.00 C ATOM 344 CG2 VAL A 26 7.676 2.928 2.509 1.00 0.00 C ATOM 0 H VAL A 26 8.732 4.357 4.195 1.00 0.00 H new ATOM 0 HA VAL A 26 8.645 6.187 1.924 1.00 0.00 H new ATOM 0 HB VAL A 26 7.580 4.186 0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.666 2.889 0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.971 4.640 0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.283 3.742 2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.737 2.007 1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.273 2.826 3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.637 3.118 2.779 1.00 0.00 H new ATOM 354 N ARG A 27 6.054 6.282 1.590 1.00 0.00 N ATOM 355 CA ARG A 27 4.655 6.692 1.631 1.00 0.00 C ATOM 356 C ARG A 27 3.868 6.052 0.491 1.00 0.00 C ATOM 357 O ARG A 27 4.158 6.280 -0.683 1.00 0.00 O ATOM 358 CB ARG A 27 4.545 8.215 1.548 1.00 0.00 C ATOM 359 CG ARG A 27 3.113 8.724 1.557 1.00 0.00 C ATOM 360 CD ARG A 27 3.046 10.204 1.214 1.00 0.00 C ATOM 361 NE ARG A 27 3.601 10.485 -0.107 1.00 0.00 N ATOM 362 CZ ARG A 27 4.033 11.684 -0.483 1.00 0.00 C ATOM 363 NH1 ARG A 27 3.975 12.707 0.358 1.00 0.00 N ATOM 364 NH2 ARG A 27 4.526 11.861 -1.702 1.00 0.00 N ATOM 0 H ARG A 27 6.504 6.407 0.683 1.00 0.00 H new ATOM 0 HA ARG A 27 4.231 6.355 2.577 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.084 8.656 2.387 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.037 8.557 0.638 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.519 8.156 0.841 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.672 8.557 2.540 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.009 10.538 1.250 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.591 10.775 1.965 1.00 0.00 H new ATOM 0 HE ARG A 27 3.660 9.719 -0.778 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.598 12.575 1.297 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.307 13.626 0.067 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.574 11.076 -2.352 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.857 12.782 -1.989 1.00 0.00 H new ATOM 378 N PHE A 28 2.870 5.249 0.846 1.00 0.00 N ATOM 379 CA PHE A 28 2.041 4.575 -0.146 1.00 0.00 C ATOM 380 C PHE A 28 0.580 4.994 -0.010 1.00 0.00 C ATOM 381 O PHE A 28 -0.078 4.677 0.982 1.00 0.00 O ATOM 382 CB PHE A 28 2.164 3.057 0.002 1.00 0.00 C ATOM 383 CG PHE A 28 3.496 2.518 -0.438 1.00 0.00 C ATOM 384 CD1 PHE A 28 3.930 2.687 -1.743 1.00 0.00 C ATOM 385 CD2 PHE A 28 4.313 1.843 0.455 1.00 0.00 C ATOM 386 CE1 PHE A 28 5.155 2.192 -2.150 1.00 0.00 C ATOM 387 CE2 PHE A 28 5.539 1.347 0.053 1.00 0.00 C ATOM 388 CZ PHE A 28 5.960 1.521 -1.251 1.00 0.00 C ATOM 0 H PHE A 28 2.616 5.049 1.813 1.00 0.00 H new ATOM 0 HA PHE A 28 2.393 4.866 -1.135 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.998 2.787 1.045 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.377 2.578 -0.580 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.304 3.211 -2.450 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.988 1.703 1.476 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.482 2.330 -3.170 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.168 0.824 0.758 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.917 1.133 -1.567 1.00 0.00 H new ATOM 398 N VAL A 29 0.079 5.708 -1.013 1.00 0.00 N ATOM 399 CA VAL A 29 -1.304 6.170 -1.006 1.00 0.00 C ATOM 400 C VAL A 29 -2.122 5.471 -2.086 1.00 0.00 C ATOM 401 O VAL A 29 -1.642 5.249 -3.197 1.00 0.00 O ATOM 402 CB VAL A 29 -1.388 7.693 -1.219 1.00 0.00 C ATOM 403 CG1 VAL A 29 -2.829 8.169 -1.115 1.00 0.00 C ATOM 404 CG2 VAL A 29 -0.504 8.420 -0.216 1.00 0.00 C ATOM 0 H VAL A 29 0.610 5.979 -1.841 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.715 5.924 -0.027 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.027 7.923 -2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.868 9.247 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.432 7.672 -1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.221 7.929 -0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.575 9.495 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.833 8.185 0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.530 8.101 -0.344 1.00 0.00 H new ATOM 414 N VAL A 30 -3.362 5.126 -1.751 1.00 0.00 N ATOM 415 CA VAL A 30 -4.249 4.454 -2.693 1.00 0.00 C ATOM 416 C VAL A 30 -5.695 4.895 -2.497 1.00 0.00 C ATOM 417 O VAL A 30 -6.198 4.925 -1.374 1.00 0.00 O ATOM 418 CB VAL A 30 -4.166 2.923 -2.546 1.00 0.00 C ATOM 419 CG1 VAL A 30 -2.779 2.424 -2.922 1.00 0.00 C ATOM 420 CG2 VAL A 30 -4.526 2.504 -1.128 1.00 0.00 C ATOM 0 H VAL A 30 -3.774 5.301 -0.835 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.920 4.734 -3.694 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.886 2.471 -3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.740 1.340 -2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.564 2.692 -3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.038 2.882 -2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.462 1.419 -1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.832 2.965 -0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.542 2.827 -0.900 1.00 0.00 H new ATOM 430 N GLU A 31 -6.358 5.236 -3.597 1.00 0.00 N ATOM 431 CA GLU A 31 -7.747 5.676 -3.545 1.00 0.00 C ATOM 432 C GLU A 31 -8.695 4.527 -3.875 1.00 0.00 C ATOM 433 O GLU A 31 -8.315 3.568 -4.550 1.00 0.00 O ATOM 434 CB GLU A 31 -7.975 6.835 -4.519 1.00 0.00 C ATOM 435 CG GLU A 31 -7.692 8.201 -3.916 1.00 0.00 C ATOM 436 CD GLU A 31 -6.242 8.617 -4.071 1.00 0.00 C ATOM 437 OE1 GLU A 31 -5.378 7.723 -4.189 1.00 0.00 O ATOM 438 OE2 GLU A 31 -5.971 9.836 -4.073 1.00 0.00 O ATOM 0 H GLU A 31 -5.956 5.216 -4.534 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.955 6.016 -2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.339 6.694 -5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.007 6.808 -4.868 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.332 8.944 -4.392 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.951 8.188 -2.857 1.00 0.00 H new ATOM 445 N LEU A 32 -9.929 4.629 -3.395 1.00 0.00 N ATOM 446 CA LEU A 32 -10.933 3.598 -3.638 1.00 0.00 C ATOM 447 C LEU A 32 -12.223 4.210 -4.174 1.00 0.00 C ATOM 448 O LEU A 32 -12.771 5.141 -3.585 1.00 0.00 O ATOM 449 CB LEU A 32 -11.218 2.823 -2.351 1.00 0.00 C ATOM 450 CG LEU A 32 -9.994 2.355 -1.564 1.00 0.00 C ATOM 451 CD1 LEU A 32 -10.326 2.229 -0.085 1.00 0.00 C ATOM 452 CD2 LEU A 32 -9.482 1.031 -2.112 1.00 0.00 C ATOM 0 H LEU A 32 -10.259 5.415 -2.835 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.540 2.912 -4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.825 3.451 -1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.819 1.949 -2.602 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.207 3.101 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.443 1.895 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.644 3.198 0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.129 1.504 0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.610 0.713 -1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.265 0.277 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.204 1.154 -3.159 1.00 0.00 H new ATOM 464 N ALA A 33 -12.704 3.678 -5.293 1.00 0.00 N ATOM 465 CA ALA A 33 -13.932 4.169 -5.906 1.00 0.00 C ATOM 466 C ALA A 33 -15.060 4.254 -4.883 1.00 0.00 C ATOM 467 O ALA A 33 -15.949 5.099 -4.994 1.00 0.00 O ATOM 468 CB ALA A 33 -14.337 3.273 -7.067 1.00 0.00 C ATOM 0 H ALA A 33 -12.262 2.907 -5.793 1.00 0.00 H new ATOM 0 HA ALA A 33 -13.743 5.173 -6.285 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.256 3.651 -7.515 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -13.544 3.266 -7.815 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -14.502 2.259 -6.704 1.00 0.00 H new ATOM 474 N ASP A 34 -15.017 3.375 -3.888 1.00 0.00 N ATOM 475 CA ASP A 34 -16.036 3.351 -2.845 1.00 0.00 C ATOM 476 C ASP A 34 -15.461 2.820 -1.536 1.00 0.00 C ATOM 477 O ASP A 34 -14.630 1.911 -1.518 1.00 0.00 O ATOM 478 CB ASP A 34 -17.223 2.491 -3.281 1.00 0.00 C ATOM 479 CG ASP A 34 -18.225 3.267 -4.114 1.00 0.00 C ATOM 480 OD1 ASP A 34 -18.367 4.487 -3.888 1.00 0.00 O ATOM 481 OD2 ASP A 34 -18.867 2.654 -4.992 1.00 0.00 O ATOM 0 H ASP A 34 -14.288 2.670 -3.782 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.378 4.373 -2.683 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.859 1.639 -3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.721 2.090 -2.398 1.00 0.00 H new ATOM 486 N PRO A 35 -15.911 3.399 -0.413 1.00 0.00 N ATOM 487 CA PRO A 35 -15.454 3.000 0.922 1.00 0.00 C ATOM 488 C PRO A 35 -15.957 1.615 1.317 1.00 0.00 C ATOM 489 O PRO A 35 -15.428 0.990 2.236 1.00 0.00 O ATOM 490 CB PRO A 35 -16.056 4.069 1.837 1.00 0.00 C ATOM 491 CG PRO A 35 -17.251 4.569 1.101 1.00 0.00 C ATOM 492 CD PRO A 35 -16.902 4.487 -0.359 1.00 0.00 C ATOM 0 HA PRO A 35 -14.367 2.934 0.978 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -16.333 3.651 2.805 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -15.345 4.872 2.029 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -18.130 3.965 1.327 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -17.486 5.594 1.389 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.777 4.264 -0.969 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.488 5.426 -0.726 1.00 0.00 H new ATOM 500 N LYS A 36 -16.982 1.141 0.617 1.00 0.00 N ATOM 501 CA LYS A 36 -17.557 -0.170 0.893 1.00 0.00 C ATOM 502 C LYS A 36 -16.538 -1.276 0.633 1.00 0.00 C ATOM 503 O LYS A 36 -16.581 -2.333 1.263 1.00 0.00 O ATOM 504 CB LYS A 36 -18.801 -0.396 0.031 1.00 0.00 C ATOM 505 CG LYS A 36 -19.961 0.519 0.387 1.00 0.00 C ATOM 506 CD LYS A 36 -20.690 0.038 1.629 1.00 0.00 C ATOM 507 CE LYS A 36 -21.522 -1.203 1.342 1.00 0.00 C ATOM 508 NZ LYS A 36 -22.714 -1.290 2.231 1.00 0.00 N ATOM 0 H LYS A 36 -17.432 1.646 -0.147 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.841 -0.201 1.945 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -18.539 -0.247 -1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -19.121 -1.433 0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -19.590 1.531 0.551 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -20.658 0.566 -0.450 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -19.967 -0.181 2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -21.336 0.832 2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -21.845 -1.191 0.301 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -20.905 -2.092 1.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -23.254 -2.149 2.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -22.405 -1.328 3.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -23.316 -0.454 2.087 1.00 0.00 H new ATOM 522 N LEU A 37 -15.623 -1.024 -0.297 1.00 0.00 N ATOM 523 CA LEU A 37 -14.593 -1.998 -0.639 1.00 0.00 C ATOM 524 C LEU A 37 -13.479 -2.002 0.404 1.00 0.00 C ATOM 525 O LEU A 37 -13.033 -0.946 0.852 1.00 0.00 O ATOM 526 CB LEU A 37 -14.012 -1.691 -2.021 1.00 0.00 C ATOM 527 CG LEU A 37 -14.880 -2.085 -3.216 1.00 0.00 C ATOM 528 CD1 LEU A 37 -14.268 -1.573 -4.511 1.00 0.00 C ATOM 529 CD2 LEU A 37 -15.061 -3.595 -3.270 1.00 0.00 C ATOM 0 H LEU A 37 -15.574 -0.154 -0.827 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.053 -2.986 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.812 -0.621 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.052 -2.200 -2.111 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.861 -1.626 -3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.899 -1.863 -5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.191 -0.486 -4.472 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.274 -2.003 -4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.682 -3.857 -4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.087 -4.075 -3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.544 -3.937 -2.355 1.00 0.00 H new ATOM 541 N GLU A 38 -13.035 -3.196 0.783 1.00 0.00 N ATOM 542 CA GLU A 38 -11.973 -3.336 1.772 1.00 0.00 C ATOM 543 C GLU A 38 -10.600 -3.227 1.115 1.00 0.00 C ATOM 544 O GLU A 38 -10.492 -3.065 -0.100 1.00 0.00 O ATOM 545 CB GLU A 38 -12.097 -4.676 2.501 1.00 0.00 C ATOM 546 CG GLU A 38 -11.621 -5.862 1.679 1.00 0.00 C ATOM 547 CD GLU A 38 -10.148 -6.158 1.880 1.00 0.00 C ATOM 548 OE1 GLU A 38 -9.663 -6.005 3.021 1.00 0.00 O ATOM 549 OE2 GLU A 38 -9.479 -6.542 0.898 1.00 0.00 O ATOM 0 H GLU A 38 -13.394 -4.079 0.421 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.076 -2.527 2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.522 -4.631 3.426 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.139 -4.833 2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.205 -6.743 1.947 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.807 -5.666 0.623 1.00 0.00 H new ATOM 556 N VAL A 39 -9.552 -3.317 1.928 1.00 0.00 N ATOM 557 CA VAL A 39 -8.186 -3.230 1.428 1.00 0.00 C ATOM 558 C VAL A 39 -7.250 -4.133 2.223 1.00 0.00 C ATOM 559 O VAL A 39 -7.482 -4.403 3.401 1.00 0.00 O ATOM 560 CB VAL A 39 -7.658 -1.784 1.486 1.00 0.00 C ATOM 561 CG1 VAL A 39 -8.436 -0.892 0.530 1.00 0.00 C ATOM 562 CG2 VAL A 39 -7.732 -1.247 2.908 1.00 0.00 C ATOM 0 H VAL A 39 -9.624 -3.450 2.937 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.208 -3.560 0.389 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.613 -1.785 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.049 0.125 0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.327 -1.267 -0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.490 -0.894 0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.355 -0.224 2.931 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.767 -1.260 3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.127 -1.872 3.565 1.00 0.00 H new ATOM 572 N LYS A 40 -6.190 -4.598 1.571 1.00 0.00 N ATOM 573 CA LYS A 40 -5.216 -5.471 2.216 1.00 0.00 C ATOM 574 C LYS A 40 -3.829 -5.281 1.609 1.00 0.00 C ATOM 575 O LYS A 40 -3.648 -5.410 0.399 1.00 0.00 O ATOM 576 CB LYS A 40 -5.646 -6.934 2.085 1.00 0.00 C ATOM 577 CG LYS A 40 -6.943 -7.253 2.806 1.00 0.00 C ATOM 578 CD LYS A 40 -7.163 -8.752 2.920 1.00 0.00 C ATOM 579 CE LYS A 40 -6.537 -9.313 4.188 1.00 0.00 C ATOM 580 NZ LYS A 40 -7.330 -8.962 5.400 1.00 0.00 N ATOM 0 H LYS A 40 -5.983 -4.385 0.595 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.171 -5.205 3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.758 -7.178 1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.855 -7.573 2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.925 -6.810 3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.778 -6.801 2.271 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.232 -8.965 2.916 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.735 -9.251 2.050 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.460 -10.397 4.106 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.523 -8.928 4.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.005 -9.535 6.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.202 -7.953 5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.337 -9.153 5.223 1.00 0.00 H new ATOM 594 N TRP A 41 -2.855 -4.975 2.458 1.00 0.00 N ATOM 595 CA TRP A 41 -1.484 -4.769 2.004 1.00 0.00 C ATOM 596 C TRP A 41 -0.656 -6.037 2.180 1.00 0.00 C ATOM 597 O TRP A 41 -0.715 -6.689 3.223 1.00 0.00 O ATOM 598 CB TRP A 41 -0.839 -3.614 2.772 1.00 0.00 C ATOM 599 CG TRP A 41 -1.537 -2.303 2.570 1.00 0.00 C ATOM 600 CD1 TRP A 41 -2.742 -1.927 3.091 1.00 0.00 C ATOM 601 CD2 TRP A 41 -1.072 -1.196 1.789 1.00 0.00 C ATOM 602 NE1 TRP A 41 -3.055 -0.653 2.681 1.00 0.00 N ATOM 603 CE2 TRP A 41 -2.046 -0.183 1.882 1.00 0.00 C ATOM 604 CE3 TRP A 41 0.072 -0.962 1.022 1.00 0.00 C ATOM 605 CZ2 TRP A 41 -1.909 1.043 1.236 1.00 0.00 C ATOM 606 CZ3 TRP A 41 0.207 0.255 0.381 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.779 1.245 0.492 1.00 0.00 C ATOM 0 H TRP A 41 -2.988 -4.864 3.463 1.00 0.00 H new ATOM 0 HA TRP A 41 -1.513 -4.520 0.943 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.832 -3.853 3.835 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.201 -3.516 2.460 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.359 -2.541 3.731 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.901 -0.141 2.931 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.837 -1.719 0.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.668 1.807 1.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.087 0.446 -0.215 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.644 2.186 -0.020 1.00 0.00 H new ATOM 618 N TYR A 42 0.115 -6.382 1.155 1.00 0.00 N ATOM 619 CA TYR A 42 0.953 -7.574 1.196 1.00 0.00 C ATOM 620 C TYR A 42 2.394 -7.240 0.822 1.00 0.00 C ATOM 621 O TYR A 42 2.651 -6.311 0.056 1.00 0.00 O ATOM 622 CB TYR A 42 0.404 -8.642 0.249 1.00 0.00 C ATOM 623 CG TYR A 42 -0.985 -9.117 0.612 1.00 0.00 C ATOM 624 CD1 TYR A 42 -2.110 -8.405 0.216 1.00 0.00 C ATOM 625 CD2 TYR A 42 -1.171 -10.279 1.352 1.00 0.00 C ATOM 626 CE1 TYR A 42 -3.381 -8.835 0.547 1.00 0.00 C ATOM 627 CE2 TYR A 42 -2.438 -10.717 1.686 1.00 0.00 C ATOM 628 CZ TYR A 42 -3.540 -9.992 1.282 1.00 0.00 C ATOM 629 OH TYR A 42 -4.803 -10.424 1.612 1.00 0.00 O ATOM 0 H TYR A 42 0.177 -5.853 0.285 1.00 0.00 H new ATOM 0 HA TYR A 42 0.941 -7.960 2.215 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.389 -8.243 -0.765 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.082 -9.496 0.246 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.989 -7.500 -0.361 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.311 -10.849 1.671 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.245 -8.269 0.232 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.565 -11.623 2.261 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.740 -11.254 2.130 1.00 0.00 H new ATOM 639 N LYS A 43 3.333 -8.005 1.369 1.00 0.00 N ATOM 640 CA LYS A 43 4.749 -7.794 1.094 1.00 0.00 C ATOM 641 C LYS A 43 5.438 -9.110 0.749 1.00 0.00 C ATOM 642 O LYS A 43 5.840 -9.863 1.635 1.00 0.00 O ATOM 643 CB LYS A 43 5.434 -7.149 2.301 1.00 0.00 C ATOM 644 CG LYS A 43 6.949 -7.117 2.196 1.00 0.00 C ATOM 645 CD LYS A 43 7.596 -6.850 3.544 1.00 0.00 C ATOM 646 CE LYS A 43 9.080 -6.547 3.400 1.00 0.00 C ATOM 647 NZ LYS A 43 9.828 -6.835 4.655 1.00 0.00 N ATOM 0 H LYS A 43 3.138 -8.777 2.006 1.00 0.00 H new ATOM 0 HA LYS A 43 4.831 -7.125 0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.065 -6.130 2.416 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.152 -7.694 3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.307 -8.068 1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.249 -6.345 1.488 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.097 -6.010 4.028 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.462 -7.717 4.191 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.495 -7.141 2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.212 -5.499 3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.835 -6.616 4.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.449 -6.250 5.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.723 -7.840 4.899 1.00 0.00 H new ATOM 661 N ASN A 44 5.573 -9.381 -0.546 1.00 0.00 N ATOM 662 CA ASN A 44 6.215 -10.607 -1.007 1.00 0.00 C ATOM 663 C ASN A 44 5.314 -11.815 -0.771 1.00 0.00 C ATOM 664 O ASN A 44 5.786 -12.895 -0.417 1.00 0.00 O ATOM 665 CB ASN A 44 7.553 -10.806 -0.293 1.00 0.00 C ATOM 666 CG ASN A 44 8.522 -11.645 -1.105 1.00 0.00 C ATOM 667 OD1 ASN A 44 8.890 -12.749 -0.705 1.00 0.00 O ATOM 668 ND2 ASN A 44 8.940 -11.122 -2.252 1.00 0.00 N ATOM 0 H ASN A 44 5.247 -8.769 -1.294 1.00 0.00 H new ATOM 0 HA ASN A 44 6.393 -10.514 -2.078 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.001 -9.834 -0.089 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.380 -11.286 0.670 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.593 -11.640 -2.841 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.608 -10.203 -2.544 1.00 0.00 H new ATOM 675 N GLY A 45 4.013 -11.625 -0.969 1.00 0.00 N ATOM 676 CA GLY A 45 3.066 -12.707 -0.773 1.00 0.00 C ATOM 677 C GLY A 45 2.787 -12.975 0.693 1.00 0.00 C ATOM 678 O GLY A 45 2.558 -14.118 1.088 1.00 0.00 O ATOM 0 H GLY A 45 3.598 -10.740 -1.262 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.132 -12.464 -1.279 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.454 -13.614 -1.238 1.00 0.00 H new ATOM 682 N GLN A 46 2.808 -11.919 1.500 1.00 0.00 N ATOM 683 CA GLN A 46 2.558 -12.047 2.931 1.00 0.00 C ATOM 684 C GLN A 46 1.758 -10.858 3.452 1.00 0.00 C ATOM 685 O GLN A 46 2.057 -9.709 3.131 1.00 0.00 O ATOM 686 CB GLN A 46 3.879 -12.162 3.693 1.00 0.00 C ATOM 687 CG GLN A 46 4.734 -13.339 3.255 1.00 0.00 C ATOM 688 CD GLN A 46 4.288 -14.648 3.876 1.00 0.00 C ATOM 689 OE1 GLN A 46 4.052 -14.727 5.082 1.00 0.00 O ATOM 690 NE2 GLN A 46 4.170 -15.684 3.054 1.00 0.00 N ATOM 0 H GLN A 46 2.995 -10.966 1.188 1.00 0.00 H new ATOM 0 HA GLN A 46 1.974 -12.953 3.093 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.447 -11.241 3.559 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.667 -12.254 4.758 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.697 -13.425 2.169 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.773 -13.149 3.525 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.376 -15.573 2.061 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.873 -16.591 3.415 1.00 0.00 H new ATOM 699 N GLU A 47 0.739 -11.144 4.257 1.00 0.00 N ATOM 700 CA GLU A 47 -0.105 -10.097 4.821 1.00 0.00 C ATOM 701 C GLU A 47 0.677 -9.246 5.818 1.00 0.00 C ATOM 702 O GLU A 47 1.401 -9.771 6.665 1.00 0.00 O ATOM 703 CB GLU A 47 -1.327 -10.710 5.507 1.00 0.00 C ATOM 704 CG GLU A 47 -2.280 -9.679 6.089 1.00 0.00 C ATOM 705 CD GLU A 47 -3.603 -10.283 6.517 1.00 0.00 C ATOM 706 OE1 GLU A 47 -4.035 -11.273 5.889 1.00 0.00 O ATOM 707 OE2 GLU A 47 -4.207 -9.767 7.480 1.00 0.00 O ATOM 0 H GLU A 47 0.478 -12.091 4.533 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.439 -9.456 4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.867 -11.325 4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.991 -11.373 6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.810 -9.199 6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.463 -8.900 5.349 1.00 0.00 H new ATOM 714 N ILE A 48 0.527 -7.930 5.709 1.00 0.00 N ATOM 715 CA ILE A 48 1.218 -7.007 6.600 1.00 0.00 C ATOM 716 C ILE A 48 0.342 -6.633 7.791 1.00 0.00 C ATOM 717 O ILE A 48 -0.866 -6.441 7.651 1.00 0.00 O ATOM 718 CB ILE A 48 1.639 -5.722 5.863 1.00 0.00 C ATOM 719 CG1 ILE A 48 2.549 -6.060 4.681 1.00 0.00 C ATOM 720 CG2 ILE A 48 2.337 -4.767 6.820 1.00 0.00 C ATOM 721 CD1 ILE A 48 2.680 -4.936 3.678 1.00 0.00 C ATOM 0 H ILE A 48 -0.067 -7.480 5.013 1.00 0.00 H new ATOM 0 HA ILE A 48 2.111 -7.521 6.956 1.00 0.00 H new ATOM 0 HB ILE A 48 0.744 -5.232 5.479 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.539 -6.317 5.057 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.161 -6.944 4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.629 -3.864 6.284 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.658 -4.505 7.632 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.225 -5.248 7.231 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.340 -5.246 2.868 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.697 -4.693 3.273 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.097 -4.057 4.169 1.00 0.00 H new ATOM 733 N ARG A 49 0.960 -6.529 8.964 1.00 0.00 N ATOM 734 CA ARG A 49 0.237 -6.177 10.180 1.00 0.00 C ATOM 735 C ARG A 49 0.618 -4.777 10.653 1.00 0.00 C ATOM 736 O ARG A 49 1.767 -4.349 10.541 1.00 0.00 O ATOM 737 CB ARG A 49 0.525 -7.196 11.283 1.00 0.00 C ATOM 738 CG ARG A 49 1.960 -7.161 11.785 1.00 0.00 C ATOM 739 CD ARG A 49 2.162 -8.104 12.960 1.00 0.00 C ATOM 740 NE ARG A 49 1.801 -7.481 14.231 1.00 0.00 N ATOM 741 CZ ARG A 49 1.438 -8.167 15.309 1.00 0.00 C ATOM 742 NH1 ARG A 49 1.389 -9.492 15.270 1.00 0.00 N ATOM 743 NH2 ARG A 49 1.125 -7.529 16.429 1.00 0.00 N ATOM 0 H ARG A 49 1.959 -6.684 9.097 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.829 -6.188 9.955 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.148 -7.013 12.120 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.304 -8.196 10.909 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.636 -7.436 10.976 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.217 -6.145 12.084 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.561 -9.001 12.812 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.204 -8.421 12.995 1.00 0.00 H new ATOM 0 HE ARG A 49 1.829 -6.463 14.294 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.630 -9.986 14.411 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.110 -10.017 16.099 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.163 -6.510 16.463 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.846 -8.057 17.256 1.00 0.00 H new ATOM 757 N PRO A 50 -0.368 -4.046 11.194 1.00 0.00 N ATOM 758 CA PRO A 50 -0.161 -2.684 11.695 1.00 0.00 C ATOM 759 C PRO A 50 0.688 -2.656 12.961 1.00 0.00 C ATOM 760 O PRO A 50 0.337 -3.267 13.970 1.00 0.00 O ATOM 761 CB PRO A 50 -1.580 -2.195 11.992 1.00 0.00 C ATOM 762 CG PRO A 50 -2.364 -3.437 12.244 1.00 0.00 C ATOM 763 CD PRO A 50 -1.762 -4.493 11.359 1.00 0.00 C ATOM 0 HA PRO A 50 0.376 -2.063 10.978 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.598 -1.533 12.858 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.989 -1.632 11.153 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.308 -3.728 13.293 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.418 -3.287 12.011 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.816 -5.480 11.818 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.279 -4.558 10.402 1.00 0.00 H new ATOM 771 N SER A 51 1.807 -1.941 12.902 1.00 0.00 N ATOM 772 CA SER A 51 2.709 -1.835 14.044 1.00 0.00 C ATOM 773 C SER A 51 3.575 -0.584 13.938 1.00 0.00 C ATOM 774 O SER A 51 3.465 0.184 12.981 1.00 0.00 O ATOM 775 CB SER A 51 3.596 -3.078 14.136 1.00 0.00 C ATOM 776 OG SER A 51 4.146 -3.216 15.435 1.00 0.00 O ATOM 0 H SER A 51 2.111 -1.426 12.076 1.00 0.00 H new ATOM 0 HA SER A 51 2.105 -1.761 14.948 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.012 -3.965 13.889 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.399 -3.011 13.403 1.00 0.00 H new ATOM 0 HG SER A 51 4.708 -4.018 15.469 1.00 0.00 H new ATOM 782 N THR A 52 4.439 -0.385 14.928 1.00 0.00 N ATOM 783 CA THR A 52 5.324 0.773 14.949 1.00 0.00 C ATOM 784 C THR A 52 6.045 0.937 13.616 1.00 0.00 C ATOM 785 O THR A 52 6.552 2.014 13.301 1.00 0.00 O ATOM 786 CB THR A 52 6.370 0.661 16.075 1.00 0.00 C ATOM 787 OG1 THR A 52 7.394 1.645 15.893 1.00 0.00 O ATOM 788 CG2 THR A 52 6.992 -0.727 16.099 1.00 0.00 C ATOM 0 H THR A 52 4.545 -1.011 15.726 1.00 0.00 H new ATOM 0 HA THR A 52 4.698 1.646 15.131 1.00 0.00 H new ATOM 0 HB THR A 52 5.867 0.833 17.026 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.054 1.568 16.614 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.727 -0.782 16.902 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.214 -1.472 16.267 1.00 0.00 H new ATOM 0 HG23 THR A 52 7.481 -0.923 15.145 1.00 0.00 H new ATOM 796 N LYS A 53 6.088 -0.137 12.835 1.00 0.00 N ATOM 797 CA LYS A 53 6.745 -0.112 11.534 1.00 0.00 C ATOM 798 C LYS A 53 5.764 0.287 10.436 1.00 0.00 C ATOM 799 O LYS A 53 6.061 1.149 9.608 1.00 0.00 O ATOM 800 CB LYS A 53 7.349 -1.482 11.218 1.00 0.00 C ATOM 801 CG LYS A 53 8.387 -1.448 10.110 1.00 0.00 C ATOM 802 CD LYS A 53 8.439 -2.766 9.355 1.00 0.00 C ATOM 803 CE LYS A 53 9.402 -2.697 8.179 1.00 0.00 C ATOM 804 NZ LYS A 53 10.800 -3.006 8.588 1.00 0.00 N ATOM 0 H LYS A 53 5.675 -1.037 13.081 1.00 0.00 H new ATOM 0 HA LYS A 53 7.542 0.630 11.573 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.807 -1.885 12.121 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.549 -2.166 10.934 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.155 -0.639 9.417 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.367 -1.232 10.535 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.747 -3.563 10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.442 -3.020 8.996 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.085 -3.400 7.409 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.365 -1.701 7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.425 -2.948 7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.112 -2.320 9.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.841 -3.966 8.986 1.00 0.00 H new ATOM 818 N TYR A 54 4.595 -0.343 10.436 1.00 0.00 N ATOM 819 CA TYR A 54 3.570 -0.054 9.440 1.00 0.00 C ATOM 820 C TYR A 54 2.493 0.860 10.016 1.00 0.00 C ATOM 821 O TYR A 54 1.830 0.516 10.995 1.00 0.00 O ATOM 822 CB TYR A 54 2.938 -1.352 8.936 1.00 0.00 C ATOM 823 CG TYR A 54 3.936 -2.322 8.344 1.00 0.00 C ATOM 824 CD1 TYR A 54 4.465 -2.117 7.076 1.00 0.00 C ATOM 825 CD2 TYR A 54 4.349 -3.443 9.053 1.00 0.00 C ATOM 826 CE1 TYR A 54 5.377 -3.000 6.531 1.00 0.00 C ATOM 827 CE2 TYR A 54 5.262 -4.331 8.517 1.00 0.00 C ATOM 828 CZ TYR A 54 5.772 -4.105 7.255 1.00 0.00 C ATOM 829 OH TYR A 54 6.680 -4.988 6.717 1.00 0.00 O ATOM 0 H TYR A 54 4.333 -1.058 11.115 1.00 0.00 H new ATOM 0 HA TYR A 54 4.046 0.458 8.604 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.418 -1.838 9.762 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.187 -1.112 8.183 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.158 -1.252 6.506 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.950 -3.624 10.040 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.778 -2.826 5.544 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.574 -5.197 9.082 1.00 0.00 H new ATOM 0 HH TYR A 54 6.852 -5.711 7.356 1.00 0.00 H new ATOM 839 N ILE A 55 2.323 2.025 9.400 1.00 0.00 N ATOM 840 CA ILE A 55 1.325 2.988 9.849 1.00 0.00 C ATOM 841 C ILE A 55 0.161 3.072 8.867 1.00 0.00 C ATOM 842 O ILE A 55 0.320 3.533 7.737 1.00 0.00 O ATOM 843 CB ILE A 55 1.935 4.391 10.025 1.00 0.00 C ATOM 844 CG1 ILE A 55 3.400 4.283 10.454 1.00 0.00 C ATOM 845 CG2 ILE A 55 1.137 5.191 11.043 1.00 0.00 C ATOM 846 CD1 ILE A 55 3.579 3.803 11.877 1.00 0.00 C ATOM 0 H ILE A 55 2.863 2.325 8.589 1.00 0.00 H new ATOM 0 HA ILE A 55 0.959 2.636 10.814 1.00 0.00 H new ATOM 0 HB ILE A 55 1.893 4.913 9.069 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.918 3.600 9.781 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.875 5.258 10.346 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.580 6.180 11.157 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.107 5.292 10.700 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.151 4.675 12.003 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.642 3.750 12.112 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.090 4.498 12.560 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.134 2.814 11.986 1.00 0.00 H new ATOM 858 N PHE A 56 -1.010 2.624 9.307 1.00 0.00 N ATOM 859 CA PHE A 56 -2.202 2.649 8.467 1.00 0.00 C ATOM 860 C PHE A 56 -3.095 3.834 8.826 1.00 0.00 C ATOM 861 O PHE A 56 -3.553 3.958 9.961 1.00 0.00 O ATOM 862 CB PHE A 56 -2.985 1.343 8.617 1.00 0.00 C ATOM 863 CG PHE A 56 -2.271 0.149 8.051 1.00 0.00 C ATOM 864 CD1 PHE A 56 -1.178 -0.396 8.706 1.00 0.00 C ATOM 865 CD2 PHE A 56 -2.692 -0.429 6.864 1.00 0.00 C ATOM 866 CE1 PHE A 56 -0.519 -1.495 8.189 1.00 0.00 C ATOM 867 CE2 PHE A 56 -2.037 -1.529 6.343 1.00 0.00 C ATOM 868 CZ PHE A 56 -0.949 -2.062 7.005 1.00 0.00 C ATOM 0 H PHE A 56 -1.159 2.239 10.240 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.883 2.757 7.430 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.187 1.169 9.674 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.950 1.448 8.121 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.837 0.044 9.632 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.541 -0.015 6.340 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.331 -1.910 8.710 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.376 -1.972 5.418 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.435 -2.920 6.598 1.00 0.00 H new ATOM 878 N GLU A 57 -3.337 4.702 7.848 1.00 0.00 N ATOM 879 CA GLU A 57 -4.173 5.877 8.061 1.00 0.00 C ATOM 880 C GLU A 57 -5.383 5.860 7.131 1.00 0.00 C ATOM 881 O GLU A 57 -5.425 5.101 6.162 1.00 0.00 O ATOM 882 CB GLU A 57 -3.362 7.155 7.838 1.00 0.00 C ATOM 883 CG GLU A 57 -2.547 7.578 9.048 1.00 0.00 C ATOM 884 CD GLU A 57 -1.160 6.966 9.060 1.00 0.00 C ATOM 885 OE1 GLU A 57 -0.828 6.229 8.108 1.00 0.00 O ATOM 886 OE2 GLU A 57 -0.406 7.225 10.021 1.00 0.00 O ATOM 0 H GLU A 57 -2.966 4.613 6.902 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.528 5.856 9.091 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.691 7.006 6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.041 7.963 7.567 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.461 8.664 9.061 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.075 7.289 9.956 1.00 0.00 H new ATOM 893 N HIS A 58 -6.366 6.703 7.432 1.00 0.00 N ATOM 894 CA HIS A 58 -7.577 6.785 6.623 1.00 0.00 C ATOM 895 C HIS A 58 -7.932 8.238 6.323 1.00 0.00 C ATOM 896 O HIS A 58 -8.330 8.988 7.215 1.00 0.00 O ATOM 897 CB HIS A 58 -8.741 6.101 7.339 1.00 0.00 C ATOM 898 CG HIS A 58 -10.007 6.079 6.539 1.00 0.00 C ATOM 899 ND1 HIS A 58 -10.414 6.851 5.504 1.00 0.00 N flip ATOM 900 CD2 HIS A 58 -11.030 5.183 6.772 1.00 0.00 C flip ATOM 901 CE1 HIS A 58 -11.661 6.411 5.134 1.00 0.00 C flip ATOM 902 NE2 HIS A 58 -12.009 5.404 5.914 1.00 0.00 N flip ATOM 0 H HIS A 58 -6.348 7.338 8.230 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.390 6.273 5.679 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -8.456 5.077 7.581 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -8.927 6.612 8.284 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -11.030 4.420 7.537 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -12.260 6.822 4.335 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -12.885 4.885 5.862 1.00 0.00 H new ATOM 911 N LYS A 59 -7.785 8.630 5.062 1.00 0.00 N ATOM 912 CA LYS A 59 -8.091 9.993 4.644 1.00 0.00 C ATOM 913 C LYS A 59 -9.066 9.996 3.471 1.00 0.00 C ATOM 914 O LYS A 59 -8.659 10.052 2.312 1.00 0.00 O ATOM 915 CB LYS A 59 -6.806 10.729 4.254 1.00 0.00 C ATOM 916 CG LYS A 59 -5.699 10.607 5.286 1.00 0.00 C ATOM 917 CD LYS A 59 -5.748 11.743 6.294 1.00 0.00 C ATOM 918 CE LYS A 59 -6.611 11.385 7.495 1.00 0.00 C ATOM 919 NZ LYS A 59 -8.029 11.795 7.301 1.00 0.00 N ATOM 0 H LYS A 59 -7.456 8.023 4.311 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.558 10.508 5.484 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.448 10.338 3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.034 11.784 4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.789 9.654 5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.731 10.606 4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.737 11.979 6.628 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.143 12.639 5.815 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.564 10.310 7.668 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.212 11.869 8.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.301 12.468 8.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.135 12.247 6.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.643 10.957 7.351 1.00 0.00 H new ATOM 933 N GLY A 60 -10.358 9.938 3.782 1.00 0.00 N ATOM 934 CA GLY A 60 -11.371 9.936 2.743 1.00 0.00 C ATOM 935 C GLY A 60 -11.050 8.970 1.620 1.00 0.00 C ATOM 936 O GLY A 60 -10.293 9.299 0.706 1.00 0.00 O ATOM 0 H GLY A 60 -10.720 9.892 4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.334 9.673 3.180 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.470 10.942 2.335 1.00 0.00 H new ATOM 940 N CYS A 61 -11.623 7.773 1.690 1.00 0.00 N ATOM 941 CA CYS A 61 -11.391 6.754 0.673 1.00 0.00 C ATOM 942 C CYS A 61 -9.933 6.753 0.227 1.00 0.00 C ATOM 943 O CYS A 61 -9.629 6.468 -0.931 1.00 0.00 O ATOM 944 CB CYS A 61 -12.305 6.988 -0.531 1.00 0.00 C ATOM 945 SG CYS A 61 -13.971 6.314 -0.335 1.00 0.00 S ATOM 0 H CYS A 61 -12.251 7.485 2.440 1.00 0.00 H new ATOM 0 HA CYS A 61 -11.619 5.782 1.110 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.378 8.060 -0.716 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.846 6.543 -1.414 1.00 0.00 H new ATOM 0 HG CYS A 61 -14.669 6.564 -1.403 1.00 0.00 H new ATOM 951 N GLN A 62 -9.036 7.075 1.153 1.00 0.00 N ATOM 952 CA GLN A 62 -7.609 7.113 0.854 1.00 0.00 C ATOM 953 C GLN A 62 -6.806 6.410 1.943 1.00 0.00 C ATOM 954 O GLN A 62 -6.608 6.953 3.030 1.00 0.00 O ATOM 955 CB GLN A 62 -7.136 8.560 0.708 1.00 0.00 C ATOM 956 CG GLN A 62 -5.951 8.722 -0.231 1.00 0.00 C ATOM 957 CD GLN A 62 -5.306 10.089 -0.127 1.00 0.00 C ATOM 958 OE1 GLN A 62 -5.187 10.809 -1.119 1.00 0.00 O ATOM 959 NE2 GLN A 62 -4.885 10.456 1.078 1.00 0.00 N ATOM 0 H GLN A 62 -9.272 7.313 2.116 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.446 6.588 -0.087 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.963 9.169 0.343 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.865 8.946 1.691 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.208 7.956 -0.008 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.280 8.557 -1.257 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.004 9.828 1.873 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.443 11.366 1.209 1.00 0.00 H new ATOM 968 N ARG A 63 -6.345 5.200 1.643 1.00 0.00 N ATOM 969 CA ARG A 63 -5.564 4.422 2.597 1.00 0.00 C ATOM 970 C ARG A 63 -4.071 4.679 2.415 1.00 0.00 C ATOM 971 O ARG A 63 -3.511 4.414 1.351 1.00 0.00 O ATOM 972 CB ARG A 63 -5.860 2.930 2.434 1.00 0.00 C ATOM 973 CG ARG A 63 -7.025 2.444 3.280 1.00 0.00 C ATOM 974 CD ARG A 63 -6.574 2.058 4.680 1.00 0.00 C ATOM 975 NE ARG A 63 -7.519 1.152 5.329 1.00 0.00 N ATOM 976 CZ ARG A 63 -8.666 1.550 5.868 1.00 0.00 C ATOM 977 NH1 ARG A 63 -9.009 2.830 5.836 1.00 0.00 N ATOM 978 NH2 ARG A 63 -9.473 0.666 6.441 1.00 0.00 N ATOM 0 H ARG A 63 -6.499 4.737 0.747 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.849 4.734 3.602 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.072 2.723 1.385 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.969 2.361 2.697 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.782 3.226 3.343 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.493 1.586 2.798 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.594 1.583 4.627 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.460 2.957 5.285 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.285 0.160 5.370 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.391 3.513 5.397 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.890 3.132 6.251 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.213 -0.320 6.468 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.354 0.972 6.855 1.00 0.00 H new ATOM 992 N ILE A 64 -3.433 5.196 3.460 1.00 0.00 N ATOM 993 CA ILE A 64 -2.006 5.487 3.415 1.00 0.00 C ATOM 994 C ILE A 64 -1.219 4.515 4.287 1.00 0.00 C ATOM 995 O ILE A 64 -1.642 4.171 5.392 1.00 0.00 O ATOM 996 CB ILE A 64 -1.711 6.927 3.876 1.00 0.00 C ATOM 997 CG1 ILE A 64 -2.571 7.922 3.095 1.00 0.00 C ATOM 998 CG2 ILE A 64 -0.233 7.246 3.703 1.00 0.00 C ATOM 999 CD1 ILE A 64 -2.818 9.219 3.835 1.00 0.00 C ATOM 0 H ILE A 64 -3.882 5.422 4.348 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.693 5.375 2.377 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.960 7.012 4.934 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.085 8.142 2.145 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.529 7.457 2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.040 8.267 4.033 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.361 6.553 4.299 1.00 0.00 H new ATOM 0 HG23 ILE A 64 0.040 7.147 2.652 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.434 9.876 3.222 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.332 9.010 4.773 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.865 9.706 4.044 1.00 0.00 H new ATOM 1011 N LEU A 65 -0.070 4.076 3.785 1.00 0.00 N ATOM 1012 CA LEU A 65 0.780 3.144 4.519 1.00 0.00 C ATOM 1013 C LEU A 65 2.214 3.658 4.594 1.00 0.00 C ATOM 1014 O LEU A 65 2.811 4.015 3.578 1.00 0.00 O ATOM 1015 CB LEU A 65 0.754 1.767 3.853 1.00 0.00 C ATOM 1016 CG LEU A 65 1.475 0.646 4.601 1.00 0.00 C ATOM 1017 CD1 LEU A 65 2.981 0.850 4.546 1.00 0.00 C ATOM 1018 CD2 LEU A 65 0.997 0.574 6.044 1.00 0.00 C ATOM 0 H LEU A 65 0.295 4.350 2.873 1.00 0.00 H new ATOM 0 HA LEU A 65 0.391 3.058 5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.286 1.473 3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.196 1.857 2.861 1.00 0.00 H new ATOM 0 HG LEU A 65 1.239 -0.300 4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.477 0.042 5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.310 0.850 3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.236 1.804 5.008 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.521 -0.230 6.561 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.202 1.521 6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.075 0.379 6.063 1.00 0.00 H new ATOM 1030 N PHE A 66 2.762 3.691 5.804 1.00 0.00 N ATOM 1031 CA PHE A 66 4.127 4.160 6.013 1.00 0.00 C ATOM 1032 C PHE A 66 5.005 3.045 6.574 1.00 0.00 C ATOM 1033 O PHE A 66 4.645 2.390 7.551 1.00 0.00 O ATOM 1034 CB PHE A 66 4.137 5.360 6.962 1.00 0.00 C ATOM 1035 CG PHE A 66 3.469 6.579 6.395 1.00 0.00 C ATOM 1036 CD1 PHE A 66 4.145 7.411 5.517 1.00 0.00 C ATOM 1037 CD2 PHE A 66 2.163 6.893 6.738 1.00 0.00 C ATOM 1038 CE1 PHE A 66 3.532 8.534 4.994 1.00 0.00 C ATOM 1039 CE2 PHE A 66 1.545 8.014 6.218 1.00 0.00 C ATOM 1040 CZ PHE A 66 2.230 8.835 5.344 1.00 0.00 C ATOM 0 H PHE A 66 2.282 3.399 6.655 1.00 0.00 H new ATOM 0 HA PHE A 66 4.531 4.466 5.048 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.639 5.082 7.891 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.169 5.605 7.214 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.162 7.179 5.238 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.622 6.254 7.420 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.070 9.176 4.312 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.528 8.248 6.495 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.749 9.711 4.935 1.00 0.00 H new ATOM 1050 N ILE A 67 6.159 2.837 5.947 1.00 0.00 N ATOM 1051 CA ILE A 67 7.088 1.803 6.384 1.00 0.00 C ATOM 1052 C ILE A 67 8.407 2.411 6.851 1.00 0.00 C ATOM 1053 O ILE A 67 9.164 2.963 6.054 1.00 0.00 O ATOM 1054 CB ILE A 67 7.373 0.790 5.259 1.00 0.00 C ATOM 1055 CG1 ILE A 67 6.061 0.251 4.684 1.00 0.00 C ATOM 1056 CG2 ILE A 67 8.238 -0.348 5.777 1.00 0.00 C ATOM 1057 CD1 ILE A 67 6.244 -0.562 3.422 1.00 0.00 C ATOM 0 H ILE A 67 6.472 3.371 5.136 1.00 0.00 H new ATOM 0 HA ILE A 67 6.614 1.284 7.217 1.00 0.00 H new ATOM 0 HB ILE A 67 7.916 1.298 4.462 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.570 -0.366 5.436 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.395 1.088 4.474 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.430 -1.055 4.970 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.184 0.051 6.143 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.721 -0.857 6.590 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.273 -0.912 3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.706 0.058 2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.885 -1.419 3.631 1.00 0.00 H new ATOM 1069 N ASN A 68 8.675 2.303 8.148 1.00 0.00 N ATOM 1070 CA ASN A 68 9.903 2.841 8.722 1.00 0.00 C ATOM 1071 C ASN A 68 11.047 1.839 8.596 1.00 0.00 C ATOM 1072 O ASN A 68 10.829 0.670 8.282 1.00 0.00 O ATOM 1073 CB ASN A 68 9.687 3.204 10.193 1.00 0.00 C ATOM 1074 CG ASN A 68 8.794 4.417 10.364 1.00 0.00 C ATOM 1075 OD1 ASN A 68 9.212 5.549 10.119 1.00 0.00 O ATOM 1076 ND2 ASN A 68 7.557 4.186 10.787 1.00 0.00 N ATOM 0 H ASN A 68 8.059 1.848 8.821 1.00 0.00 H new ATOM 0 HA ASN A 68 10.170 3.741 8.168 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.244 2.354 10.713 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.652 3.397 10.662 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.910 4.963 10.921 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.253 3.231 10.978 1.00 0.00 H new ATOM 1083 N ASN A 69 12.266 2.307 8.844 1.00 0.00 N ATOM 1084 CA ASN A 69 13.444 1.452 8.759 1.00 0.00 C ATOM 1085 C ASN A 69 13.622 0.910 7.344 1.00 0.00 C ATOM 1086 O ASN A 69 13.897 -0.275 7.152 1.00 0.00 O ATOM 1087 CB ASN A 69 13.332 0.293 9.751 1.00 0.00 C ATOM 1088 CG ASN A 69 13.450 0.751 11.191 1.00 0.00 C ATOM 1089 OD1 ASN A 69 14.469 1.310 11.595 1.00 0.00 O ATOM 1090 ND2 ASN A 69 12.403 0.515 11.975 1.00 0.00 N ATOM 0 H ASN A 69 12.464 3.273 9.105 1.00 0.00 H new ATOM 0 HA ASN A 69 14.317 2.054 9.011 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.376 -0.211 9.610 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.112 -0.439 9.540 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.424 0.801 12.954 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.578 0.048 11.598 1.00 0.00 H new ATOM 1097 N CYS A 70 13.462 1.784 6.357 1.00 0.00 N ATOM 1098 CA CYS A 70 13.604 1.394 4.959 1.00 0.00 C ATOM 1099 C CYS A 70 15.049 1.020 4.643 1.00 0.00 C ATOM 1100 O CYS A 70 15.882 1.889 4.386 1.00 0.00 O ATOM 1101 CB CYS A 70 13.146 2.529 4.041 1.00 0.00 C ATOM 1102 SG CYS A 70 11.384 2.915 4.169 1.00 0.00 S ATOM 0 H CYS A 70 13.234 2.768 6.499 1.00 0.00 H new ATOM 0 HA CYS A 70 12.975 0.521 4.786 1.00 0.00 H new ATOM 0 HB2 CYS A 70 13.721 3.425 4.274 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.375 2.262 3.009 1.00 0.00 H new ATOM 0 HG CYS A 70 10.989 2.740 5.395 1.00 0.00 H new ATOM 1108 N GLN A 71 15.337 -0.277 4.665 1.00 0.00 N ATOM 1109 CA GLN A 71 16.682 -0.765 4.383 1.00 0.00 C ATOM 1110 C GLN A 71 16.709 -1.569 3.088 1.00 0.00 C ATOM 1111 O GLN A 71 15.664 -1.938 2.553 1.00 0.00 O ATOM 1112 CB GLN A 71 17.189 -1.625 5.542 1.00 0.00 C ATOM 1113 CG GLN A 71 18.694 -1.840 5.528 1.00 0.00 C ATOM 1114 CD GLN A 71 19.466 -0.550 5.332 1.00 0.00 C ATOM 1115 OE1 GLN A 71 19.851 -0.207 4.214 1.00 0.00 O ATOM 1116 NE2 GLN A 71 19.697 0.173 6.422 1.00 0.00 N ATOM 0 H GLN A 71 14.658 -1.008 4.875 1.00 0.00 H new ATOM 0 HA GLN A 71 17.337 0.098 4.267 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.907 -1.154 6.484 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.692 -2.594 5.509 1.00 0.00 H new ATOM 0 HG2 GLN A 71 19.000 -2.303 6.466 1.00 0.00 H new ATOM 0 HG3 GLN A 71 18.950 -2.537 4.730 1.00 0.00 H new ATOM 0 HE21 GLN A 71 19.359 -0.149 7.329 1.00 0.00 H new ATOM 0 HE22 GLN A 71 20.212 1.051 6.352 1.00 0.00 H new ATOM 1125 N MET A 72 17.911 -1.838 2.589 1.00 0.00 N ATOM 1126 CA MET A 72 18.074 -2.599 1.356 1.00 0.00 C ATOM 1127 C MET A 72 17.115 -3.786 1.320 1.00 0.00 C ATOM 1128 O MET A 72 16.732 -4.255 0.248 1.00 0.00 O ATOM 1129 CB MET A 72 19.516 -3.090 1.221 1.00 0.00 C ATOM 1130 CG MET A 72 20.545 -1.971 1.253 1.00 0.00 C ATOM 1131 SD MET A 72 20.340 -0.801 -0.104 1.00 0.00 S ATOM 1132 CE MET A 72 19.297 0.434 0.669 1.00 0.00 C ATOM 0 H MET A 72 18.786 -1.540 3.020 1.00 0.00 H new ATOM 0 HA MET A 72 17.842 -1.941 0.519 1.00 0.00 H new ATOM 0 HB2 MET A 72 19.729 -3.792 2.027 1.00 0.00 H new ATOM 0 HB3 MET A 72 19.618 -3.639 0.285 1.00 0.00 H new ATOM 0 HG2 MET A 72 20.468 -1.439 2.201 1.00 0.00 H new ATOM 0 HG3 MET A 72 21.546 -2.401 1.209 1.00 0.00 H new ATOM 0 HE1 MET A 72 19.312 1.347 0.074 1.00 0.00 H new ATOM 0 HE2 MET A 72 18.276 0.059 0.733 1.00 0.00 H new ATOM 0 HE3 MET A 72 19.668 0.648 1.671 1.00 0.00 H new ATOM 1142 N THR A 73 16.731 -4.267 2.498 1.00 0.00 N ATOM 1143 CA THR A 73 15.819 -5.399 2.601 1.00 0.00 C ATOM 1144 C THR A 73 14.383 -4.975 2.317 1.00 0.00 C ATOM 1145 O THR A 73 13.626 -5.704 1.675 1.00 0.00 O ATOM 1146 CB THR A 73 15.885 -6.048 3.996 1.00 0.00 C ATOM 1147 OG1 THR A 73 15.594 -5.074 5.004 1.00 0.00 O ATOM 1148 CG2 THR A 73 17.258 -6.652 4.248 1.00 0.00 C ATOM 0 H THR A 73 17.038 -3.890 3.395 1.00 0.00 H new ATOM 0 HA THR A 73 16.134 -6.128 1.854 1.00 0.00 H new ATOM 0 HB THR A 73 15.142 -6.845 4.037 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.636 -5.495 5.888 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.280 -7.104 5.239 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.464 -7.414 3.497 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.016 -5.871 4.189 1.00 0.00 H new ATOM 1156 N ASP A 74 14.014 -3.793 2.797 1.00 0.00 N ATOM 1157 CA ASP A 74 12.667 -3.271 2.593 1.00 0.00 C ATOM 1158 C ASP A 74 12.291 -3.302 1.115 1.00 0.00 C ATOM 1159 O ASP A 74 11.150 -3.601 0.761 1.00 0.00 O ATOM 1160 CB ASP A 74 12.565 -1.842 3.129 1.00 0.00 C ATOM 1161 CG ASP A 74 11.313 -1.133 2.650 1.00 0.00 C ATOM 1162 OD1 ASP A 74 10.209 -1.517 3.089 1.00 0.00 O ATOM 1163 OD2 ASP A 74 11.438 -0.193 1.838 1.00 0.00 O ATOM 0 H ASP A 74 14.628 -3.178 3.330 1.00 0.00 H new ATOM 0 HA ASP A 74 11.970 -3.906 3.140 1.00 0.00 H new ATOM 0 HB2 ASP A 74 12.572 -1.864 4.219 1.00 0.00 H new ATOM 0 HB3 ASP A 74 13.442 -1.276 2.816 1.00 0.00 H new ATOM 1168 N ASP A 75 13.256 -2.989 0.258 1.00 0.00 N ATOM 1169 CA ASP A 75 13.026 -2.981 -1.182 1.00 0.00 C ATOM 1170 C ASP A 75 12.354 -4.274 -1.633 1.00 0.00 C ATOM 1171 O ASP A 75 13.025 -5.236 -2.008 1.00 0.00 O ATOM 1172 CB ASP A 75 14.346 -2.790 -1.930 1.00 0.00 C ATOM 1173 CG ASP A 75 14.343 -3.459 -3.291 1.00 0.00 C ATOM 1174 OD1 ASP A 75 13.274 -3.485 -3.936 1.00 0.00 O ATOM 1175 OD2 ASP A 75 15.409 -3.956 -3.711 1.00 0.00 O ATOM 0 H ASP A 75 14.205 -2.737 0.535 1.00 0.00 H new ATOM 0 HA ASP A 75 12.362 -2.148 -1.414 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.540 -1.724 -2.053 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.162 -3.195 -1.331 1.00 0.00 H new ATOM 1180 N SER A 76 11.026 -4.291 -1.591 1.00 0.00 N ATOM 1181 CA SER A 76 10.263 -5.468 -1.990 1.00 0.00 C ATOM 1182 C SER A 76 9.065 -5.073 -2.849 1.00 0.00 C ATOM 1183 O SER A 76 8.685 -3.904 -2.903 1.00 0.00 O ATOM 1184 CB SER A 76 9.789 -6.237 -0.756 1.00 0.00 C ATOM 1185 OG SER A 76 9.118 -5.381 0.152 1.00 0.00 O ATOM 0 H SER A 76 10.456 -3.503 -1.285 1.00 0.00 H new ATOM 0 HA SER A 76 10.916 -6.111 -2.581 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.122 -7.044 -1.060 1.00 0.00 H new ATOM 0 HB3 SER A 76 10.643 -6.699 -0.261 1.00 0.00 H new ATOM 0 HG SER A 76 8.755 -4.610 -0.332 1.00 0.00 H new ATOM 1191 N GLU A 77 8.474 -6.058 -3.518 1.00 0.00 N ATOM 1192 CA GLU A 77 7.319 -5.814 -4.374 1.00 0.00 C ATOM 1193 C GLU A 77 6.025 -5.849 -3.566 1.00 0.00 C ATOM 1194 O GLU A 77 5.571 -6.914 -3.147 1.00 0.00 O ATOM 1195 CB GLU A 77 7.260 -6.852 -5.497 1.00 0.00 C ATOM 1196 CG GLU A 77 6.168 -6.583 -6.518 1.00 0.00 C ATOM 1197 CD GLU A 77 6.258 -7.498 -7.724 1.00 0.00 C ATOM 1198 OE1 GLU A 77 7.323 -7.516 -8.376 1.00 0.00 O ATOM 1199 OE2 GLU A 77 5.265 -8.197 -8.015 1.00 0.00 O ATOM 0 H GLU A 77 8.776 -7.032 -3.484 1.00 0.00 H new ATOM 0 HA GLU A 77 7.427 -4.821 -4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.223 -6.879 -6.006 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.103 -7.838 -5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.194 -6.707 -6.044 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.232 -5.546 -6.848 1.00 0.00 H new ATOM 1206 N TYR A 78 5.437 -4.677 -3.352 1.00 0.00 N ATOM 1207 CA TYR A 78 4.197 -4.572 -2.592 1.00 0.00 C ATOM 1208 C TYR A 78 2.991 -4.511 -3.523 1.00 0.00 C ATOM 1209 O TYR A 78 3.059 -3.935 -4.609 1.00 0.00 O ATOM 1210 CB TYR A 78 4.227 -3.333 -1.695 1.00 0.00 C ATOM 1211 CG TYR A 78 5.470 -3.235 -0.840 1.00 0.00 C ATOM 1212 CD1 TYR A 78 6.691 -2.867 -1.393 1.00 0.00 C ATOM 1213 CD2 TYR A 78 5.425 -3.511 0.521 1.00 0.00 C ATOM 1214 CE1 TYR A 78 7.829 -2.776 -0.616 1.00 0.00 C ATOM 1215 CE2 TYR A 78 6.558 -3.422 1.306 1.00 0.00 C ATOM 1216 CZ TYR A 78 7.758 -3.054 0.733 1.00 0.00 C ATOM 1217 OH TYR A 78 8.889 -2.965 1.512 1.00 0.00 O ATOM 0 H TYR A 78 5.799 -3.787 -3.694 1.00 0.00 H new ATOM 0 HA TYR A 78 4.107 -5.461 -1.968 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.154 -2.442 -2.318 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.350 -3.342 -1.047 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.751 -2.648 -2.449 1.00 0.00 H new ATOM 0 HD2 TYR A 78 4.488 -3.800 0.973 1.00 0.00 H new ATOM 0 HE1 TYR A 78 8.770 -2.489 -1.062 1.00 0.00 H new ATOM 0 HE2 TYR A 78 6.505 -3.639 2.363 1.00 0.00 H new ATOM 0 HH TYR A 78 9.551 -3.618 1.203 1.00 0.00 H new ATOM 1227 N TYR A 79 1.886 -5.107 -3.090 1.00 0.00 N ATOM 1228 CA TYR A 79 0.663 -5.123 -3.885 1.00 0.00 C ATOM 1229 C TYR A 79 -0.570 -5.153 -2.987 1.00 0.00 C ATOM 1230 O TYR A 79 -0.658 -5.960 -2.061 1.00 0.00 O ATOM 1231 CB TYR A 79 0.655 -6.331 -4.823 1.00 0.00 C ATOM 1232 CG TYR A 79 0.322 -7.633 -4.130 1.00 0.00 C ATOM 1233 CD1 TYR A 79 1.290 -8.334 -3.422 1.00 0.00 C ATOM 1234 CD2 TYR A 79 -0.962 -8.162 -4.184 1.00 0.00 C ATOM 1235 CE1 TYR A 79 0.990 -9.524 -2.788 1.00 0.00 C ATOM 1236 CE2 TYR A 79 -1.271 -9.351 -3.552 1.00 0.00 C ATOM 1237 CZ TYR A 79 -0.292 -10.029 -2.856 1.00 0.00 C ATOM 1238 OH TYR A 79 -0.595 -11.213 -2.225 1.00 0.00 O ATOM 0 H TYR A 79 1.811 -5.586 -2.192 1.00 0.00 H new ATOM 0 HA TYR A 79 0.634 -4.210 -4.480 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.069 -6.157 -5.619 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.633 -6.420 -5.295 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.295 -7.942 -3.366 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.731 -7.635 -4.729 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.755 -10.056 -2.242 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.274 -9.748 -3.603 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.777 -11.042 -1.277 1.00 0.00 H new ATOM 1248 N VAL A 80 -1.521 -4.268 -3.268 1.00 0.00 N ATOM 1249 CA VAL A 80 -2.750 -4.194 -2.488 1.00 0.00 C ATOM 1250 C VAL A 80 -3.914 -4.836 -3.235 1.00 0.00 C ATOM 1251 O VAL A 80 -3.858 -5.027 -4.450 1.00 0.00 O ATOM 1252 CB VAL A 80 -3.113 -2.735 -2.151 1.00 0.00 C ATOM 1253 CG1 VAL A 80 -3.379 -1.943 -3.422 1.00 0.00 C ATOM 1254 CG2 VAL A 80 -4.317 -2.687 -1.222 1.00 0.00 C ATOM 0 H VAL A 80 -1.464 -3.592 -4.030 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.571 -4.740 -1.562 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.267 -2.278 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.634 -0.915 -3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.487 -1.949 -4.048 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.207 -2.396 -3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.560 -1.649 -0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.170 -3.161 -1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.085 -3.217 -0.298 1.00 0.00 H new ATOM 1264 N THR A 81 -4.971 -5.168 -2.499 1.00 0.00 N ATOM 1265 CA THR A 81 -6.149 -5.789 -3.091 1.00 0.00 C ATOM 1266 C THR A 81 -7.426 -5.094 -2.633 1.00 0.00 C ATOM 1267 O THR A 81 -7.546 -4.696 -1.475 1.00 0.00 O ATOM 1268 CB THR A 81 -6.235 -7.285 -2.731 1.00 0.00 C ATOM 1269 OG1 THR A 81 -6.421 -7.440 -1.320 1.00 0.00 O ATOM 1270 CG2 THR A 81 -4.976 -8.019 -3.166 1.00 0.00 C ATOM 0 H THR A 81 -5.035 -5.017 -1.492 1.00 0.00 H new ATOM 0 HA THR A 81 -6.051 -5.687 -4.172 1.00 0.00 H new ATOM 0 HB THR A 81 -7.087 -7.714 -3.258 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.476 -8.393 -1.100 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.060 -9.073 -2.901 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.854 -7.924 -4.245 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.111 -7.586 -2.664 1.00 0.00 H new ATOM 1278 N ALA A 82 -8.378 -4.951 -3.549 1.00 0.00 N ATOM 1279 CA ALA A 82 -9.647 -4.306 -3.239 1.00 0.00 C ATOM 1280 C ALA A 82 -10.772 -4.863 -4.105 1.00 0.00 C ATOM 1281 O ALA A 82 -10.793 -4.660 -5.318 1.00 0.00 O ATOM 1282 CB ALA A 82 -9.533 -2.800 -3.421 1.00 0.00 C ATOM 0 H ALA A 82 -8.294 -5.274 -4.513 1.00 0.00 H new ATOM 0 HA ALA A 82 -9.888 -4.517 -2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.489 -2.332 -3.186 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.764 -2.410 -2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.264 -2.578 -4.454 1.00 0.00 H new ATOM 1288 N GLY A 83 -11.707 -5.566 -3.473 1.00 0.00 N ATOM 1289 CA GLY A 83 -12.822 -6.141 -4.202 1.00 0.00 C ATOM 1290 C GLY A 83 -12.389 -7.244 -5.148 1.00 0.00 C ATOM 1291 O GLY A 83 -12.109 -8.364 -4.720 1.00 0.00 O ATOM 0 H GLY A 83 -11.712 -5.747 -2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.549 -6.539 -3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.325 -5.357 -4.769 1.00 0.00 H new ATOM 1295 N ASP A 84 -12.336 -6.929 -6.437 1.00 0.00 N ATOM 1296 CA ASP A 84 -11.934 -7.902 -7.446 1.00 0.00 C ATOM 1297 C ASP A 84 -10.731 -7.399 -8.238 1.00 0.00 C ATOM 1298 O ASP A 84 -10.336 -8.003 -9.234 1.00 0.00 O ATOM 1299 CB ASP A 84 -13.098 -8.194 -8.395 1.00 0.00 C ATOM 1300 CG ASP A 84 -14.325 -8.706 -7.666 1.00 0.00 C ATOM 1301 OD1 ASP A 84 -14.813 -8.001 -6.758 1.00 0.00 O ATOM 1302 OD2 ASP A 84 -14.797 -9.812 -8.004 1.00 0.00 O ATOM 0 H ASP A 84 -12.566 -6.007 -6.808 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.651 -8.822 -6.935 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.355 -7.286 -8.940 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -12.784 -8.931 -9.134 1.00 0.00 H new ATOM 1307 N GLU A 85 -10.154 -6.290 -7.787 1.00 0.00 N ATOM 1308 CA GLU A 85 -8.997 -5.706 -8.455 1.00 0.00 C ATOM 1309 C GLU A 85 -7.794 -5.657 -7.516 1.00 0.00 C ATOM 1310 O GLU A 85 -7.941 -5.720 -6.296 1.00 0.00 O ATOM 1311 CB GLU A 85 -9.325 -4.297 -8.954 1.00 0.00 C ATOM 1312 CG GLU A 85 -10.405 -4.267 -10.024 1.00 0.00 C ATOM 1313 CD GLU A 85 -9.898 -4.728 -11.376 1.00 0.00 C ATOM 1314 OE1 GLU A 85 -8.854 -4.211 -11.826 1.00 0.00 O ATOM 1315 OE2 GLU A 85 -10.546 -5.605 -11.986 1.00 0.00 O ATOM 0 H GLU A 85 -10.468 -5.778 -6.963 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.746 -6.337 -9.308 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.645 -3.687 -8.109 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.418 -3.841 -9.352 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.235 -4.902 -9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.795 -3.253 -10.113 1.00 0.00 H new ATOM 1322 N LYS A 86 -6.604 -5.544 -8.095 1.00 0.00 N ATOM 1323 CA LYS A 86 -5.374 -5.485 -7.313 1.00 0.00 C ATOM 1324 C LYS A 86 -4.230 -4.910 -8.141 1.00 0.00 C ATOM 1325 O LYS A 86 -4.161 -5.120 -9.353 1.00 0.00 O ATOM 1326 CB LYS A 86 -5.001 -6.880 -6.807 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.119 -7.660 -7.767 1.00 0.00 C ATOM 1328 CD LYS A 86 -3.631 -8.958 -7.147 1.00 0.00 C ATOM 1329 CE LYS A 86 -2.534 -9.598 -7.983 1.00 0.00 C ATOM 1330 NZ LYS A 86 -1.712 -10.550 -7.186 1.00 0.00 N ATOM 0 H LYS A 86 -6.465 -5.491 -9.104 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.546 -4.829 -6.460 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.487 -6.785 -5.850 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.914 -7.447 -6.623 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.676 -7.878 -8.678 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.263 -7.049 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.257 -8.764 -6.142 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.466 -9.652 -7.048 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.981 -10.123 -8.827 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.891 -8.820 -8.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.976 -10.965 -7.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.265 -10.044 -6.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.321 -11.307 -6.814 1.00 0.00 H new ATOM 1344 N CYS A 87 -3.334 -4.186 -7.480 1.00 0.00 N ATOM 1345 CA CYS A 87 -2.191 -3.581 -8.156 1.00 0.00 C ATOM 1346 C CYS A 87 -0.908 -3.808 -7.363 1.00 0.00 C ATOM 1347 O CYS A 87 -0.948 -4.202 -6.197 1.00 0.00 O ATOM 1348 CB CYS A 87 -2.424 -2.082 -8.354 1.00 0.00 C ATOM 1349 SG CYS A 87 -1.595 -1.392 -9.805 1.00 0.00 S ATOM 0 H CYS A 87 -3.376 -4.003 -6.477 1.00 0.00 H new ATOM 0 HA CYS A 87 -2.083 -4.056 -9.131 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -3.495 -1.900 -8.440 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.081 -1.551 -7.466 1.00 0.00 H new ATOM 0 HG CYS A 87 -0.624 -0.617 -9.422 1.00 0.00 H new ATOM 1355 N SER A 88 0.230 -3.560 -8.004 1.00 0.00 N ATOM 1356 CA SER A 88 1.525 -3.743 -7.361 1.00 0.00 C ATOM 1357 C SER A 88 2.449 -2.564 -7.654 1.00 0.00 C ATOM 1358 O SER A 88 2.148 -1.719 -8.497 1.00 0.00 O ATOM 1359 CB SER A 88 2.175 -5.044 -7.835 1.00 0.00 C ATOM 1360 OG SER A 88 3.238 -5.425 -6.980 1.00 0.00 O ATOM 0 H SER A 88 0.281 -3.232 -8.968 1.00 0.00 H new ATOM 0 HA SER A 88 1.363 -3.797 -6.284 1.00 0.00 H new ATOM 0 HB2 SER A 88 1.428 -5.837 -7.866 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.549 -4.918 -8.851 1.00 0.00 H new ATOM 0 HG SER A 88 3.109 -5.020 -6.097 1.00 0.00 H new ATOM 1366 N THR A 89 3.576 -2.514 -6.950 1.00 0.00 N ATOM 1367 CA THR A 89 4.543 -1.440 -7.132 1.00 0.00 C ATOM 1368 C THR A 89 5.958 -1.915 -6.824 1.00 0.00 C ATOM 1369 O THR A 89 6.157 -3.036 -6.355 1.00 0.00 O ATOM 1370 CB THR A 89 4.214 -0.230 -6.238 1.00 0.00 C ATOM 1371 OG1 THR A 89 5.212 0.784 -6.398 1.00 0.00 O ATOM 1372 CG2 THR A 89 4.135 -0.643 -4.776 1.00 0.00 C ATOM 0 H THR A 89 3.841 -3.205 -6.248 1.00 0.00 H new ATOM 0 HA THR A 89 4.484 -1.137 -8.177 1.00 0.00 H new ATOM 0 HB THR A 89 3.244 0.164 -6.542 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.981 1.560 -5.846 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.902 0.228 -4.164 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.354 -1.394 -4.652 1.00 0.00 H new ATOM 0 HG23 THR A 89 5.092 -1.060 -4.463 1.00 0.00 H new ATOM 1380 N GLU A 90 6.938 -1.057 -7.089 1.00 0.00 N ATOM 1381 CA GLU A 90 8.335 -1.391 -6.839 1.00 0.00 C ATOM 1382 C GLU A 90 8.992 -0.346 -5.942 1.00 0.00 C ATOM 1383 O GLU A 90 8.996 0.845 -6.256 1.00 0.00 O ATOM 1384 CB GLU A 90 9.100 -1.501 -8.159 1.00 0.00 C ATOM 1385 CG GLU A 90 8.676 -2.684 -9.012 1.00 0.00 C ATOM 1386 CD GLU A 90 9.439 -2.764 -10.320 1.00 0.00 C ATOM 1387 OE1 GLU A 90 10.635 -3.122 -10.288 1.00 0.00 O ATOM 1388 OE2 GLU A 90 8.840 -2.469 -11.375 1.00 0.00 O ATOM 0 H GLU A 90 6.790 -0.125 -7.477 1.00 0.00 H new ATOM 0 HA GLU A 90 8.366 -2.354 -6.329 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.957 -0.583 -8.729 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.166 -1.581 -7.946 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.828 -3.605 -8.450 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.609 -2.612 -9.222 1.00 0.00 H new ATOM 1395 N LEU A 91 9.548 -0.801 -4.824 1.00 0.00 N ATOM 1396 CA LEU A 91 10.208 0.094 -3.880 1.00 0.00 C ATOM 1397 C LEU A 91 11.716 0.108 -4.107 1.00 0.00 C ATOM 1398 O LEU A 91 12.345 -0.942 -4.241 1.00 0.00 O ATOM 1399 CB LEU A 91 9.902 -0.332 -2.443 1.00 0.00 C ATOM 1400 CG LEU A 91 10.337 0.641 -1.347 1.00 0.00 C ATOM 1401 CD1 LEU A 91 11.853 0.692 -1.249 1.00 0.00 C ATOM 1402 CD2 LEU A 91 9.770 2.029 -1.611 1.00 0.00 C ATOM 0 H LEU A 91 9.555 -1.783 -4.550 1.00 0.00 H new ATOM 0 HA LEU A 91 9.824 1.101 -4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 91 8.827 -0.492 -2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.383 -1.293 -2.260 1.00 0.00 H new ATOM 0 HG LEU A 91 9.944 0.285 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.144 1.390 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 91 12.236 -0.301 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.268 1.024 -2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.090 2.709 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.133 2.393 -2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.681 1.980 -1.629 1.00 0.00 H new ATOM 1414 N PHE A 92 12.292 1.305 -4.148 1.00 0.00 N ATOM 1415 CA PHE A 92 13.727 1.456 -4.358 1.00 0.00 C ATOM 1416 C PHE A 92 14.355 2.289 -3.244 1.00 0.00 C ATOM 1417 O PHE A 92 14.348 3.519 -3.294 1.00 0.00 O ATOM 1418 CB PHE A 92 14.000 2.110 -5.714 1.00 0.00 C ATOM 1419 CG PHE A 92 13.600 1.255 -6.883 1.00 0.00 C ATOM 1420 CD1 PHE A 92 14.222 0.039 -7.114 1.00 0.00 C ATOM 1421 CD2 PHE A 92 12.600 1.667 -7.749 1.00 0.00 C ATOM 1422 CE1 PHE A 92 13.856 -0.749 -8.189 1.00 0.00 C ATOM 1423 CE2 PHE A 92 12.230 0.883 -8.826 1.00 0.00 C ATOM 1424 CZ PHE A 92 12.858 -0.327 -9.045 1.00 0.00 C ATOM 0 H PHE A 92 11.787 2.184 -4.039 1.00 0.00 H new ATOM 0 HA PHE A 92 14.177 0.463 -4.344 1.00 0.00 H new ATOM 0 HB2 PHE A 92 13.463 3.057 -5.766 1.00 0.00 H new ATOM 0 HB3 PHE A 92 15.063 2.341 -5.790 1.00 0.00 H new ATOM 0 HD1 PHE A 92 15.002 -0.297 -6.447 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.104 2.611 -7.581 1.00 0.00 H new ATOM 0 HE1 PHE A 92 14.350 -1.694 -8.359 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.451 1.217 -9.495 1.00 0.00 H new ATOM 0 HZ PHE A 92 12.569 -0.942 -9.884 1.00 0.00 H new ATOM 1434 N VAL A 93 14.898 1.610 -2.239 1.00 0.00 N ATOM 1435 CA VAL A 93 15.530 2.285 -1.112 1.00 0.00 C ATOM 1436 C VAL A 93 17.029 2.447 -1.340 1.00 0.00 C ATOM 1437 O VAL A 93 17.748 1.465 -1.531 1.00 0.00 O ATOM 1438 CB VAL A 93 15.301 1.518 0.203 1.00 0.00 C ATOM 1439 CG1 VAL A 93 15.511 0.026 -0.005 1.00 0.00 C ATOM 1440 CG2 VAL A 93 16.220 2.046 1.295 1.00 0.00 C ATOM 0 H VAL A 93 14.913 0.592 -2.182 1.00 0.00 H new ATOM 0 HA VAL A 93 15.069 3.269 -1.033 1.00 0.00 H new ATOM 0 HB VAL A 93 14.270 1.675 0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 93 15.345 -0.499 0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 93 14.808 -0.339 -0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 93 16.531 -0.154 -0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 93 16.044 1.492 2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 93 17.259 1.921 0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 93 16.016 3.104 1.462 1.00 0.00 H new ATOM 1450 N ARG A 94 17.495 3.691 -1.317 1.00 0.00 N ATOM 1451 CA ARG A 94 18.909 3.981 -1.521 1.00 0.00 C ATOM 1452 C ARG A 94 19.704 3.743 -0.241 1.00 0.00 C ATOM 1453 O ARG A 94 19.131 3.594 0.839 1.00 0.00 O ATOM 1454 CB ARG A 94 19.093 5.427 -1.987 1.00 0.00 C ATOM 1455 CG ARG A 94 18.382 5.741 -3.293 1.00 0.00 C ATOM 1456 CD ARG A 94 18.817 7.086 -3.855 1.00 0.00 C ATOM 1457 NE ARG A 94 20.151 7.027 -4.446 1.00 0.00 N ATOM 1458 CZ ARG A 94 20.419 6.419 -5.596 1.00 0.00 C ATOM 1459 NH1 ARG A 94 19.451 5.821 -6.275 1.00 0.00 N ATOM 1460 NH2 ARG A 94 21.659 6.408 -6.068 1.00 0.00 N ATOM 0 H ARG A 94 16.914 4.514 -1.159 1.00 0.00 H new ATOM 0 HA ARG A 94 19.284 3.307 -2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 94 18.725 6.099 -1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 94 20.158 5.629 -2.105 1.00 0.00 H new ATOM 0 HG2 ARG A 94 18.592 4.957 -4.020 1.00 0.00 H new ATOM 0 HG3 ARG A 94 17.304 5.745 -3.130 1.00 0.00 H new ATOM 0 HD2 ARG A 94 18.101 7.413 -4.609 1.00 0.00 H new ATOM 0 HD3 ARG A 94 18.805 7.832 -3.060 1.00 0.00 H new ATOM 0 HE ARG A 94 20.919 7.477 -3.948 1.00 0.00 H new ATOM 0 HH11 ARG A 94 18.497 5.827 -5.915 1.00 0.00 H new ATOM 0 HH12 ARG A 94 19.660 5.355 -7.158 1.00 0.00 H new ATOM 0 HH21 ARG A 94 22.407 6.867 -5.548 1.00 0.00 H new ATOM 0 HH22 ARG A 94 21.864 5.941 -6.951 1.00 0.00 H new ATOM 1474 N SER A 95 21.026 3.709 -0.368 1.00 0.00 N ATOM 1475 CA SER A 95 21.899 3.485 0.778 1.00 0.00 C ATOM 1476 C SER A 95 22.718 4.734 1.090 1.00 0.00 C ATOM 1477 O SER A 95 23.685 5.045 0.397 1.00 0.00 O ATOM 1478 CB SER A 95 22.833 2.303 0.511 1.00 0.00 C ATOM 1479 OG SER A 95 23.792 2.624 -0.482 1.00 0.00 O ATOM 0 H SER A 95 21.517 3.834 -1.254 1.00 0.00 H new ATOM 0 HA SER A 95 21.273 3.257 1.641 1.00 0.00 H new ATOM 0 HB2 SER A 95 23.341 2.021 1.433 1.00 0.00 H new ATOM 0 HB3 SER A 95 22.250 1.439 0.192 1.00 0.00 H new ATOM 0 HG SER A 95 24.043 3.568 -0.401 1.00 0.00 H new ATOM 1485 N GLY A 96 22.321 5.447 2.139 1.00 0.00 N ATOM 1486 CA GLY A 96 23.027 6.654 2.526 1.00 0.00 C ATOM 1487 C GLY A 96 24.471 6.386 2.903 1.00 0.00 C ATOM 1488 O GLY A 96 24.804 5.343 3.465 1.00 0.00 O ATOM 0 H GLY A 96 21.523 5.210 2.728 1.00 0.00 H new ATOM 0 HA2 GLY A 96 22.996 7.369 1.704 1.00 0.00 H new ATOM 0 HA3 GLY A 96 22.514 7.116 3.370 1.00 0.00 H new ATOM 1492 N PRO A 97 25.356 7.344 2.589 1.00 0.00 N ATOM 1493 CA PRO A 97 26.787 7.228 2.888 1.00 0.00 C ATOM 1494 C PRO A 97 27.075 7.314 4.383 1.00 0.00 C ATOM 1495 O PRO A 97 26.201 7.671 5.174 1.00 0.00 O ATOM 1496 CB PRO A 97 27.400 8.423 2.155 1.00 0.00 C ATOM 1497 CG PRO A 97 26.293 9.416 2.056 1.00 0.00 C ATOM 1498 CD PRO A 97 25.029 8.613 1.918 1.00 0.00 C ATOM 0 HA PRO A 97 27.193 6.266 2.576 1.00 0.00 H new ATOM 0 HB2 PRO A 97 28.249 8.830 2.703 1.00 0.00 H new ATOM 0 HB3 PRO A 97 27.765 8.137 1.168 1.00 0.00 H new ATOM 0 HG2 PRO A 97 26.258 10.051 2.941 1.00 0.00 H new ATOM 0 HG3 PRO A 97 26.434 10.073 1.198 1.00 0.00 H new ATOM 0 HD2 PRO A 97 24.183 9.111 2.391 1.00 0.00 H new ATOM 0 HD3 PRO A 97 24.764 8.458 0.872 1.00 0.00 H new ATOM 1506 N SER A 98 28.306 6.986 4.764 1.00 0.00 N ATOM 1507 CA SER A 98 28.708 7.024 6.165 1.00 0.00 C ATOM 1508 C SER A 98 30.028 7.770 6.331 1.00 0.00 C ATOM 1509 O SER A 98 30.773 7.958 5.369 1.00 0.00 O ATOM 1510 CB SER A 98 28.839 5.603 6.718 1.00 0.00 C ATOM 1511 OG SER A 98 28.692 5.590 8.127 1.00 0.00 O ATOM 0 H SER A 98 29.042 6.691 4.122 1.00 0.00 H new ATOM 0 HA SER A 98 27.938 7.555 6.725 1.00 0.00 H new ATOM 0 HB2 SER A 98 28.084 4.961 6.264 1.00 0.00 H new ATOM 0 HB3 SER A 98 29.811 5.192 6.447 1.00 0.00 H new ATOM 0 HG SER A 98 28.778 4.671 8.456 1.00 0.00 H new ATOM 1517 N SER A 99 30.310 8.194 7.559 1.00 0.00 N ATOM 1518 CA SER A 99 31.538 8.924 7.852 1.00 0.00 C ATOM 1519 C SER A 99 32.747 7.993 7.809 1.00 0.00 C ATOM 1520 O SER A 99 33.694 8.222 7.058 1.00 0.00 O ATOM 1521 CB SER A 99 31.444 9.592 9.225 1.00 0.00 C ATOM 1522 OG SER A 99 30.330 10.465 9.292 1.00 0.00 O ATOM 0 H SER A 99 29.705 8.045 8.367 1.00 0.00 H new ATOM 0 HA SER A 99 31.665 9.693 7.090 1.00 0.00 H new ATOM 0 HB2 SER A 99 31.359 8.829 9.999 1.00 0.00 H new ATOM 0 HB3 SER A 99 32.359 10.149 9.425 1.00 0.00 H new ATOM 0 HG SER A 99 30.291 10.878 10.180 1.00 0.00 H new ATOM 1528 N GLY A 100 32.705 6.941 8.621 1.00 0.00 N ATOM 1529 CA GLY A 100 33.801 5.991 8.661 1.00 0.00 C ATOM 1530 C GLY A 100 33.833 5.197 9.952 1.00 0.00 C ATOM 1531 O GLY A 100 33.375 5.671 10.991 1.00 0.00 O ATOM 0 H GLY A 100 31.932 6.730 9.252 1.00 0.00 H new ATOM 0 HA2 GLY A 100 33.714 5.305 7.818 1.00 0.00 H new ATOM 0 HA3 GLY A 100 34.744 6.524 8.542 1.00 0.00 H new TER 1535 GLY A 100