USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1069 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 130 HIS : no HD1:sc= -0.738 X(o=-0.74,f=-1) USER MOD Set 1.2: A 139 HIS : no HD1:sc=-0.00333 X(o=-0.74,f=-0.75) USER MOD Set 2.1: A 94 GLN : amide:sc= 0.518 K(o=0.52,f=0) USER MOD Set 2.2: A 109 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 91 THR OG1 : rot -26:sc= 0.661 USER MOD Set 3.2: A 116 THR OG1 : rot 170:sc= 0 USER MOD Set 4.1: A 89 GLN : amide:sc= 0.759 K(o=1.9,f=0.42) USER MOD Set 4.2: A 117 THR OG1 : rot 135:sc= 0.464 USER MOD Set 4.3: A 119 THR OG1 : rot 150:sc= 0.666 USER MOD Set 5.1: A 39 SER OG : rot -42:sc= 0.156 USER MOD Set 5.2: A 62 CYS SG : rot 180:sc= 0.157 USER MOD Set 6.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 88 TYR OH : rot 18:sc= 0.0953 USER MOD Single : A 3 HIS : no HE2:sc= -0.785 K(o=-0.79,f=-1.3) USER MOD Single : A 9 THR OG1 : rot -101:sc= 1.06 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0.639 K(o=0.64,f=-1.1) USER MOD Single : A 16 ASN : amide:sc=-0.000743 X(o=-0.00074,f=-0.082) USER MOD Single : A 17 HIS : no HD1:sc= -0.341 X(o=-0.34,f=0.025) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -135:sc= 0 (180deg=-0.908) USER MOD Single : A 23 HIS : no HE2:sc= -0.0133 X(o=-0.013,f=-0.2) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.804 K(o=-0.8,f=-2.2) USER MOD Single : A 35 CYS SG : rot 180:sc= -1.44 USER MOD Single : A 36 THR OG1 : rot 30:sc= 0.416 USER MOD Single : A 48 HIS : no HE2:sc= 0.607 K(o=0.61,f=-2.5!) USER MOD Single : A 49 ASN : amide:sc= -0.309 X(o=-0.31,f=0.014) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HE2:sc= -5.94! C(o=-5.9!,f=-9.4!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 110:sc= 1.24 USER MOD Single : A 73 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.37) USER MOD Single : A 74 MET CE :methyl -155:sc= -2.35 (180deg=-3.65!) USER MOD Single : A 84 CYS SG : rot -5:sc= -0.801 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0072 USER MOD Single : A 87 MET CE :methyl -171:sc= -0.245 (180deg=-0.668) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 111 GLN :FLIP amide:sc= -1.38 F(o=-2.1,f=-1.4) USER MOD Single : A 112 CYS SG : rot -127:sc= 0.314 USER MOD Single : A 115 TYR OH : rot 120:sc= -0.717 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 TYR OH : rot 165:sc= -0.265 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 ASN : amide:sc= 0.658 K(o=0.66,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -12.743 0.507 8.248 1.00 0.00 N ATOM 19 CA ALA A 2 -11.903 -0.353 7.427 1.00 0.00 C ATOM 20 C ALA A 2 -11.936 0.139 5.975 1.00 0.00 C ATOM 21 O ALA A 2 -12.108 1.339 5.756 1.00 0.00 O ATOM 22 CB ALA A 2 -12.185 -1.842 7.680 1.00 0.00 C ATOM 0 HA ALA A 2 -10.856 -0.276 7.719 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.537 -2.448 7.047 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.992 -2.076 8.727 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.227 -2.060 7.446 1.00 0.00 H new ATOM 28 N HIS A 3 -11.700 -0.759 5.021 1.00 0.00 N ATOM 29 CA HIS A 3 -11.241 -0.525 3.669 1.00 0.00 C ATOM 30 C HIS A 3 -9.796 -0.070 3.753 1.00 0.00 C ATOM 31 O HIS A 3 -9.447 0.906 4.430 1.00 0.00 O ATOM 32 CB HIS A 3 -12.089 0.475 2.902 1.00 0.00 C ATOM 33 CG HIS A 3 -13.536 0.095 2.759 1.00 0.00 C ATOM 34 ND1 HIS A 3 -14.543 0.280 3.686 1.00 0.00 N ATOM 35 CD2 HIS A 3 -14.102 -0.380 1.613 1.00 0.00 C ATOM 36 CE1 HIS A 3 -15.701 -0.065 3.096 1.00 0.00 C ATOM 37 NE2 HIS A 3 -15.470 -0.501 1.849 1.00 0.00 N ATOM 0 H HIS A 3 -11.840 -1.754 5.198 1.00 0.00 H new ATOM 0 HA HIS A 3 -11.331 -1.453 3.104 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -12.029 1.441 3.403 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -11.662 0.605 1.908 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -14.429 0.616 4.642 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -13.586 -0.618 0.694 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -16.675 -0.000 3.559 1.00 0.00 H new ATOM 45 N ILE A 4 -8.931 -0.827 3.092 1.00 0.00 N ATOM 46 CA ILE A 4 -7.581 -0.348 2.884 1.00 0.00 C ATOM 47 C ILE A 4 -7.568 0.475 1.594 1.00 0.00 C ATOM 48 O ILE A 4 -8.586 0.662 0.916 1.00 0.00 O ATOM 49 CB ILE A 4 -6.532 -1.480 2.940 1.00 0.00 C ATOM 50 CG1 ILE A 4 -6.730 -2.496 1.803 1.00 0.00 C ATOM 51 CG2 ILE A 4 -6.532 -2.132 4.332 1.00 0.00 C ATOM 52 CD1 ILE A 4 -5.945 -3.786 2.019 1.00 0.00 C ATOM 0 H ILE A 4 -9.135 -1.747 2.703 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.278 0.303 3.704 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.543 -1.049 2.781 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.790 -2.732 1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.424 -2.043 0.860 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.789 -2.929 4.361 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.289 -1.382 5.085 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.518 -2.548 4.539 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -6.124 -4.465 1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.881 -3.558 2.080 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.269 -4.258 2.947 1.00 0.00 H new ATOM 64 N PHE A 5 -6.390 0.973 1.264 1.00 0.00 N ATOM 65 CA PHE A 5 -6.054 1.520 -0.025 1.00 0.00 C ATOM 66 C PHE A 5 -4.754 0.839 -0.447 1.00 0.00 C ATOM 67 O PHE A 5 -3.899 0.542 0.398 1.00 0.00 O ATOM 68 CB PHE A 5 -5.975 3.038 0.081 1.00 0.00 C ATOM 69 CG PHE A 5 -5.526 3.695 -1.198 1.00 0.00 C ATOM 70 CD1 PHE A 5 -6.392 3.676 -2.303 1.00 0.00 C ATOM 71 CD2 PHE A 5 -4.256 4.295 -1.305 1.00 0.00 C ATOM 72 CE1 PHE A 5 -6.012 4.292 -3.499 1.00 0.00 C ATOM 73 CE2 PHE A 5 -3.874 4.903 -2.510 1.00 0.00 C ATOM 74 CZ PHE A 5 -4.764 4.930 -3.591 1.00 0.00 C ATOM 0 H PHE A 5 -5.611 1.006 1.922 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.802 1.330 -0.794 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.954 3.429 0.359 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -5.286 3.305 0.882 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.351 3.186 -2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.580 4.287 -0.463 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.676 4.277 -4.350 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.895 5.350 -2.604 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.489 5.444 -4.500 1.00 0.00 H new ATOM 84 N VAL A 6 -4.627 0.504 -1.730 1.00 0.00 N ATOM 85 CA VAL A 6 -3.463 -0.184 -2.263 1.00 0.00 C ATOM 86 C VAL A 6 -2.624 0.800 -3.069 1.00 0.00 C ATOM 87 O VAL A 6 -3.100 1.338 -4.066 1.00 0.00 O ATOM 88 CB VAL A 6 -3.852 -1.464 -3.013 1.00 0.00 C ATOM 89 CG1 VAL A 6 -4.569 -1.297 -4.346 1.00 0.00 C ATOM 90 CG2 VAL A 6 -2.627 -2.349 -3.239 1.00 0.00 C ATOM 0 H VAL A 6 -5.339 0.707 -2.432 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.833 -0.540 -1.448 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.583 -1.920 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.785 -2.278 -4.768 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.502 -0.755 -4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.934 -0.738 -5.033 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.924 -3.252 -3.772 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.889 -1.805 -3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.193 -2.622 -2.277 1.00 0.00 H new ATOM 100 N TYR A 7 -1.383 1.034 -2.643 1.00 0.00 N ATOM 101 CA TYR A 7 -0.432 1.833 -3.401 1.00 0.00 C ATOM 102 C TYR A 7 0.013 1.057 -4.653 1.00 0.00 C ATOM 103 O TYR A 7 -0.270 1.471 -5.775 1.00 0.00 O ATOM 104 CB TYR A 7 0.728 2.272 -2.486 1.00 0.00 C ATOM 105 CG TYR A 7 1.360 1.184 -1.631 1.00 0.00 C ATOM 106 CD1 TYR A 7 2.424 0.430 -2.150 1.00 0.00 C ATOM 107 CD2 TYR A 7 0.916 0.941 -0.315 1.00 0.00 C ATOM 108 CE1 TYR A 7 3.034 -0.574 -1.385 1.00 0.00 C ATOM 109 CE2 TYR A 7 1.543 -0.044 0.472 1.00 0.00 C ATOM 110 CZ TYR A 7 2.612 -0.802 -0.059 1.00 0.00 C ATOM 111 OH TYR A 7 3.280 -1.689 0.720 1.00 0.00 O ATOM 0 H TYR A 7 -1.013 0.674 -1.763 1.00 0.00 H new ATOM 0 HA TYR A 7 -0.896 2.751 -3.761 1.00 0.00 H new ATOM 0 HB2 TYR A 7 1.506 2.714 -3.108 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.364 3.058 -1.825 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.777 0.626 -3.152 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.093 1.512 0.090 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.826 -1.172 -1.811 1.00 0.00 H new ATOM 0 HE2 TYR A 7 1.207 -0.221 1.483 1.00 0.00 H new ATOM 0 HH TYR A 7 2.861 -1.727 1.605 1.00 0.00 H new ATOM 121 N GLY A 8 0.685 -0.088 -4.492 1.00 0.00 N ATOM 122 CA GLY A 8 1.426 -0.749 -5.569 1.00 0.00 C ATOM 123 C GLY A 8 1.427 -2.273 -5.492 1.00 0.00 C ATOM 124 O GLY A 8 1.676 -2.926 -6.507 1.00 0.00 O ATOM 0 H GLY A 8 0.730 -0.585 -3.603 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.000 -0.446 -6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.457 -0.396 -5.554 1.00 0.00 H new ATOM 128 N THR A 9 1.173 -2.844 -4.315 1.00 0.00 N ATOM 129 CA THR A 9 1.541 -4.213 -3.970 1.00 0.00 C ATOM 130 C THR A 9 0.517 -5.273 -4.367 1.00 0.00 C ATOM 131 O THR A 9 0.897 -6.422 -4.605 1.00 0.00 O ATOM 132 CB THR A 9 1.837 -4.287 -2.461 1.00 0.00 C ATOM 133 OG1 THR A 9 1.184 -3.226 -1.777 1.00 0.00 O ATOM 134 CG2 THR A 9 3.349 -4.212 -2.234 1.00 0.00 C ATOM 0 H THR A 9 0.695 -2.355 -3.559 1.00 0.00 H new ATOM 0 HA THR A 9 2.428 -4.451 -4.557 1.00 0.00 H new ATOM 0 HB THR A 9 1.461 -5.232 -2.068 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.831 -2.516 -1.581 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.560 -4.264 -1.166 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.835 -5.046 -2.741 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.731 -3.272 -2.633 1.00 0.00 H new ATOM 142 N LEU A 10 -0.768 -4.917 -4.427 1.00 0.00 N ATOM 143 CA LEU A 10 -1.857 -5.860 -4.681 1.00 0.00 C ATOM 144 C LEU A 10 -2.794 -5.193 -5.691 1.00 0.00 C ATOM 145 O LEU A 10 -3.959 -4.918 -5.402 1.00 0.00 O ATOM 146 CB LEU A 10 -2.558 -6.300 -3.367 1.00 0.00 C ATOM 147 CG LEU A 10 -1.633 -6.578 -2.150 1.00 0.00 C ATOM 148 CD1 LEU A 10 -1.739 -5.412 -1.163 1.00 0.00 C ATOM 149 CD2 LEU A 10 -1.933 -7.859 -1.375 1.00 0.00 C ATOM 0 H LEU A 10 -1.084 -3.956 -4.299 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.483 -6.793 -5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.271 -5.525 -3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.133 -7.203 -3.572 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.637 -6.695 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.092 -5.601 -0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.430 -4.490 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.770 -5.315 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.230 -7.957 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.950 -7.818 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.833 -8.718 -2.039 1.00 0.00 H new ATOM 161 N LYS A 11 -2.233 -4.784 -6.835 1.00 0.00 N ATOM 162 CA LYS A 11 -2.923 -4.004 -7.863 1.00 0.00 C ATOM 163 C LYS A 11 -2.190 -4.137 -9.186 1.00 0.00 C ATOM 164 O LYS A 11 -2.776 -4.615 -10.148 1.00 0.00 O ATOM 165 CB LYS A 11 -3.031 -2.525 -7.432 1.00 0.00 C ATOM 166 CG LYS A 11 -4.000 -1.659 -8.260 1.00 0.00 C ATOM 167 CD LYS A 11 -3.442 -1.224 -9.625 1.00 0.00 C ATOM 168 CE LYS A 11 -4.209 -0.015 -10.176 1.00 0.00 C ATOM 169 NZ LYS A 11 -3.473 0.647 -11.271 1.00 0.00 N ATOM 0 H LYS A 11 -1.264 -4.992 -7.075 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.935 -4.390 -7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.343 -2.491 -6.388 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.039 -2.077 -7.482 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.924 -2.216 -8.418 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.258 -0.770 -7.685 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.386 -0.974 -9.526 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.509 -2.053 -10.330 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.186 -0.338 -10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.386 0.700 -9.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.023 1.459 -11.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.551 0.977 -10.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.326 -0.028 -12.048 1.00 0.00 H new ATOM 183 N ARG A 12 -0.943 -3.651 -9.234 1.00 0.00 N ATOM 184 CA ARG A 12 -0.187 -3.466 -10.468 1.00 0.00 C ATOM 185 C ARG A 12 0.227 -4.836 -10.994 1.00 0.00 C ATOM 186 O ARG A 12 -0.536 -5.485 -11.702 1.00 0.00 O ATOM 187 CB ARG A 12 1.017 -2.530 -10.196 1.00 0.00 C ATOM 188 CG ARG A 12 0.697 -1.148 -9.604 1.00 0.00 C ATOM 189 CD ARG A 12 0.193 -0.146 -10.644 1.00 0.00 C ATOM 190 NE ARG A 12 1.244 0.262 -11.595 1.00 0.00 N ATOM 191 CZ ARG A 12 1.120 0.374 -12.924 1.00 0.00 C ATOM 192 NH1 ARG A 12 0.063 -0.102 -13.569 1.00 0.00 N ATOM 193 NH2 ARG A 12 2.066 0.959 -13.634 1.00 0.00 N ATOM 0 H ARG A 12 -0.427 -3.372 -8.399 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.791 -2.987 -11.238 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.699 -3.042 -9.517 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.552 -2.383 -11.134 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.055 -1.260 -8.823 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.592 -0.748 -9.128 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.638 -0.586 -11.194 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.194 0.737 -10.135 1.00 0.00 H new ATOM 0 HE ARG A 12 2.159 0.481 -11.200 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.683 -0.568 -13.052 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.004 -0.002 -14.582 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.896 1.328 -13.171 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.967 1.042 -14.646 1.00 0.00 H new ATOM 207 N GLY A 13 1.356 -5.341 -10.517 1.00 0.00 N ATOM 208 CA GLY A 13 1.906 -6.624 -10.902 1.00 0.00 C ATOM 209 C GLY A 13 2.917 -7.094 -9.859 1.00 0.00 C ATOM 210 O GLY A 13 3.750 -7.955 -10.128 1.00 0.00 O ATOM 0 H GLY A 13 1.929 -4.850 -9.830 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.105 -7.357 -11.000 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.387 -6.545 -11.877 1.00 0.00 H new ATOM 214 N GLN A 14 2.866 -6.505 -8.658 1.00 0.00 N ATOM 215 CA GLN A 14 3.667 -6.931 -7.526 1.00 0.00 C ATOM 216 C GLN A 14 3.276 -8.364 -7.162 1.00 0.00 C ATOM 217 O GLN A 14 2.093 -8.716 -7.262 1.00 0.00 O ATOM 218 CB GLN A 14 3.448 -5.983 -6.336 1.00 0.00 C ATOM 219 CG GLN A 14 4.620 -5.025 -6.101 1.00 0.00 C ATOM 220 CD GLN A 14 5.038 -4.295 -7.370 1.00 0.00 C ATOM 221 OE1 GLN A 14 6.126 -4.504 -7.876 1.00 0.00 O ATOM 222 NE2 GLN A 14 4.175 -3.459 -7.930 1.00 0.00 N ATOM 0 H GLN A 14 2.258 -5.712 -8.453 1.00 0.00 H new ATOM 0 HA GLN A 14 4.726 -6.901 -7.784 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.541 -5.402 -6.505 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.284 -6.574 -5.435 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.342 -4.295 -5.340 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.470 -5.584 -5.710 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.268 -3.295 -7.494 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.418 -2.980 -8.797 1.00 0.00 H new ATOM 231 N PRO A 15 4.236 -9.152 -6.654 1.00 0.00 N ATOM 232 CA PRO A 15 4.087 -10.592 -6.460 1.00 0.00 C ATOM 233 C PRO A 15 3.013 -10.946 -5.433 1.00 0.00 C ATOM 234 O PRO A 15 2.513 -12.070 -5.401 1.00 0.00 O ATOM 235 CB PRO A 15 5.478 -11.086 -6.023 1.00 0.00 C ATOM 236 CG PRO A 15 6.194 -9.852 -5.506 1.00 0.00 C ATOM 237 CD PRO A 15 5.560 -8.698 -6.255 1.00 0.00 C ATOM 0 HA PRO A 15 3.750 -11.075 -7.377 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.400 -11.849 -5.249 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.017 -11.533 -6.858 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.067 -9.743 -4.429 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.266 -9.907 -5.697 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.494 -7.813 -5.623 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.156 -8.424 -7.125 1.00 0.00 H new ATOM 245 N ASN A 16 2.670 -9.990 -4.576 1.00 0.00 N ATOM 246 CA ASN A 16 1.983 -10.247 -3.325 1.00 0.00 C ATOM 247 C ASN A 16 0.481 -10.340 -3.493 1.00 0.00 C ATOM 248 O ASN A 16 -0.166 -10.861 -2.592 1.00 0.00 O ATOM 249 CB ASN A 16 2.319 -9.140 -2.325 1.00 0.00 C ATOM 250 CG ASN A 16 3.820 -8.977 -2.248 1.00 0.00 C ATOM 251 OD1 ASN A 16 4.551 -9.866 -1.820 1.00 0.00 O ATOM 252 ND2 ASN A 16 4.275 -7.888 -2.837 1.00 0.00 N ATOM 0 H ASN A 16 2.866 -9.002 -4.738 1.00 0.00 H new ATOM 0 HA ASN A 16 2.327 -11.214 -2.957 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.855 -8.203 -2.632 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.917 -9.387 -1.342 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.279 -7.754 -2.955 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.623 -7.180 -3.174 1.00 0.00 H new ATOM 259 N HIS A 17 -0.081 -9.873 -4.617 1.00 0.00 N ATOM 260 CA HIS A 17 -1.526 -9.780 -4.836 1.00 0.00 C ATOM 261 C HIS A 17 -2.225 -11.091 -4.475 1.00 0.00 C ATOM 262 O HIS A 17 -3.317 -11.068 -3.911 1.00 0.00 O ATOM 263 CB HIS A 17 -1.795 -9.366 -6.296 1.00 0.00 C ATOM 264 CG HIS A 17 -3.171 -8.823 -6.644 1.00 0.00 C ATOM 265 ND1 HIS A 17 -3.417 -7.875 -7.616 1.00 0.00 N ATOM 266 CD2 HIS A 17 -4.396 -9.242 -6.187 1.00 0.00 C ATOM 267 CE1 HIS A 17 -4.748 -7.697 -7.699 1.00 0.00 C ATOM 268 NE2 HIS A 17 -5.386 -8.517 -6.850 1.00 0.00 N ATOM 0 H HIS A 17 0.468 -9.544 -5.411 1.00 0.00 H new ATOM 0 HA HIS A 17 -1.942 -9.016 -4.179 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.059 -8.610 -6.569 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.609 -10.234 -6.928 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.564 -10.004 -5.440 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.235 -6.993 -8.357 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.394 -8.595 -6.716 1.00 0.00 H new ATOM 276 N LYS A 18 -1.571 -12.233 -4.708 1.00 0.00 N ATOM 277 CA LYS A 18 -2.104 -13.548 -4.391 1.00 0.00 C ATOM 278 C LYS A 18 -2.674 -13.692 -2.978 1.00 0.00 C ATOM 279 O LYS A 18 -3.653 -14.421 -2.824 1.00 0.00 O ATOM 280 CB LYS A 18 -1.082 -14.632 -4.786 1.00 0.00 C ATOM 281 CG LYS A 18 0.171 -14.805 -3.906 1.00 0.00 C ATOM 282 CD LYS A 18 -0.107 -15.593 -2.616 1.00 0.00 C ATOM 283 CE LYS A 18 1.152 -16.246 -2.035 1.00 0.00 C ATOM 284 NZ LYS A 18 1.064 -17.722 -2.049 1.00 0.00 N ATOM 0 H LYS A 18 -0.642 -12.263 -5.129 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.996 -13.693 -5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.604 -15.588 -4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.749 -14.421 -5.802 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.943 -15.318 -4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.565 -13.822 -3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.539 -14.923 -1.873 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.850 -16.364 -2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.023 -15.929 -2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.301 -15.901 -1.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.935 -18.125 -1.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.248 -18.027 -1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.948 -18.054 -3.028 1.00 0.00 H new ATOM 298 N VAL A 19 -2.165 -12.970 -1.970 1.00 0.00 N ATOM 299 CA VAL A 19 -2.723 -13.091 -0.624 1.00 0.00 C ATOM 300 C VAL A 19 -4.189 -12.656 -0.562 1.00 0.00 C ATOM 301 O VAL A 19 -4.900 -13.128 0.319 1.00 0.00 O ATOM 302 CB VAL A 19 -1.885 -12.363 0.448 1.00 0.00 C ATOM 303 CG1 VAL A 19 -0.611 -13.157 0.753 1.00 0.00 C ATOM 304 CG2 VAL A 19 -1.511 -10.912 0.125 1.00 0.00 C ATOM 0 H VAL A 19 -1.389 -12.314 -2.059 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.681 -14.155 -0.389 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.541 -12.309 1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.028 -12.633 1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.879 -14.147 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.018 -13.257 -0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.924 -10.497 0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.924 -10.883 -0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.419 -10.323 -0.006 1.00 0.00 H new ATOM 314 N MET A 20 -4.673 -11.816 -1.485 1.00 0.00 N ATOM 315 CA MET A 20 -6.058 -11.353 -1.454 1.00 0.00 C ATOM 316 C MET A 20 -6.992 -12.326 -2.165 1.00 0.00 C ATOM 317 O MET A 20 -8.208 -12.141 -2.161 1.00 0.00 O ATOM 318 CB MET A 20 -6.236 -9.973 -2.104 1.00 0.00 C ATOM 319 CG MET A 20 -5.043 -9.021 -2.176 1.00 0.00 C ATOM 320 SD MET A 20 -5.437 -7.352 -1.582 1.00 0.00 S ATOM 321 CE MET A 20 -6.519 -6.842 -2.934 1.00 0.00 C ATOM 0 H MET A 20 -4.123 -11.446 -2.260 1.00 0.00 H new ATOM 0 HA MET A 20 -6.313 -11.287 -0.396 1.00 0.00 H new ATOM 0 HB2 MET A 20 -6.589 -10.134 -3.123 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.034 -9.459 -1.568 1.00 0.00 H new ATOM 0 HG2 MET A 20 -4.223 -9.428 -1.584 1.00 0.00 H new ATOM 0 HG3 MET A 20 -4.693 -8.962 -3.207 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.259 -5.831 -3.246 1.00 0.00 H new ATOM 0 HE2 MET A 20 -6.397 -7.524 -3.775 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.556 -6.863 -2.598 1.00 0.00 H new ATOM 331 N LEU A 21 -6.417 -13.288 -2.879 1.00 0.00 N ATOM 332 CA LEU A 21 -7.126 -14.219 -3.737 1.00 0.00 C ATOM 333 C LEU A 21 -7.400 -15.469 -2.919 1.00 0.00 C ATOM 334 O LEU A 21 -8.475 -16.059 -3.006 1.00 0.00 O ATOM 335 CB LEU A 21 -6.260 -14.540 -4.968 1.00 0.00 C ATOM 336 CG LEU A 21 -5.652 -13.306 -5.659 1.00 0.00 C ATOM 337 CD1 LEU A 21 -4.917 -13.738 -6.929 1.00 0.00 C ATOM 338 CD2 LEU A 21 -6.675 -12.211 -5.973 1.00 0.00 C ATOM 0 H LEU A 21 -5.409 -13.443 -2.873 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.066 -13.798 -4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.452 -15.206 -4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.867 -15.084 -5.692 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.950 -12.862 -4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.487 -12.863 -7.416 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.121 -14.436 -6.669 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.618 -14.224 -7.608 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.174 -11.374 -6.459 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.442 -12.609 -6.637 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.138 -11.869 -5.047 1.00 0.00 H new ATOM 350 N ASP A 22 -6.427 -15.855 -2.098 1.00 0.00 N ATOM 351 CA ASP A 22 -6.514 -16.969 -1.178 1.00 0.00 C ATOM 352 C ASP A 22 -7.388 -16.528 -0.003 1.00 0.00 C ATOM 353 O ASP A 22 -6.878 -16.103 1.025 1.00 0.00 O ATOM 354 CB ASP A 22 -5.107 -17.410 -0.729 1.00 0.00 C ATOM 355 CG ASP A 22 -4.162 -17.721 -1.895 1.00 0.00 C ATOM 356 OD1 ASP A 22 -4.641 -18.258 -2.926 1.00 0.00 O ATOM 357 OD2 ASP A 22 -2.950 -17.426 -1.813 1.00 0.00 O ATOM 0 H ASP A 22 -5.526 -15.378 -2.059 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.966 -17.838 -1.655 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.667 -16.624 -0.115 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.196 -18.295 -0.098 1.00 0.00 H new ATOM 362 N HIS A 23 -8.711 -16.628 -0.153 1.00 0.00 N ATOM 363 CA HIS A 23 -9.724 -16.237 0.836 1.00 0.00 C ATOM 364 C HIS A 23 -9.469 -16.783 2.251 1.00 0.00 C ATOM 365 O HIS A 23 -9.883 -16.208 3.255 1.00 0.00 O ATOM 366 CB HIS A 23 -11.097 -16.709 0.347 1.00 0.00 C ATOM 367 CG HIS A 23 -12.203 -16.230 1.247 1.00 0.00 C ATOM 368 ND1 HIS A 23 -12.770 -16.902 2.305 1.00 0.00 N ATOM 369 CD2 HIS A 23 -12.630 -14.938 1.306 1.00 0.00 C ATOM 370 CE1 HIS A 23 -13.499 -16.019 3.005 1.00 0.00 C ATOM 371 NE2 HIS A 23 -13.490 -14.817 2.402 1.00 0.00 N ATOM 0 H HIS A 23 -9.127 -17.001 -1.007 1.00 0.00 H new ATOM 0 HA HIS A 23 -9.676 -15.151 0.921 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.268 -16.344 -0.666 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -11.112 -17.798 0.300 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -12.657 -17.893 2.519 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -12.353 -14.146 0.626 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -14.020 -16.243 3.924 1.00 0.00 H new ATOM 379 N SER A 24 -8.773 -17.910 2.330 1.00 0.00 N ATOM 380 CA SER A 24 -8.299 -18.528 3.565 1.00 0.00 C ATOM 381 C SER A 24 -7.468 -17.542 4.402 1.00 0.00 C ATOM 382 O SER A 24 -7.558 -17.547 5.628 1.00 0.00 O ATOM 383 CB SER A 24 -7.492 -19.787 3.217 1.00 0.00 C ATOM 384 OG SER A 24 -7.650 -20.802 4.190 1.00 0.00 O ATOM 0 H SER A 24 -8.511 -18.442 1.500 1.00 0.00 H new ATOM 0 HA SER A 24 -9.156 -18.811 4.176 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.809 -20.164 2.245 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.437 -19.529 3.130 1.00 0.00 H new ATOM 0 HG SER A 24 -7.123 -21.587 3.932 1.00 0.00 H new ATOM 390 N HIS A 25 -6.683 -16.674 3.757 1.00 0.00 N ATOM 391 CA HIS A 25 -5.983 -15.574 4.396 1.00 0.00 C ATOM 392 C HIS A 25 -6.996 -14.535 4.872 1.00 0.00 C ATOM 393 O HIS A 25 -6.946 -14.129 6.027 1.00 0.00 O ATOM 394 CB HIS A 25 -4.984 -14.964 3.407 1.00 0.00 C ATOM 395 CG HIS A 25 -3.880 -15.896 2.958 1.00 0.00 C ATOM 396 ND1 HIS A 25 -3.208 -15.804 1.766 1.00 0.00 N ATOM 397 CD2 HIS A 25 -3.363 -16.969 3.634 1.00 0.00 C ATOM 398 CE1 HIS A 25 -2.307 -16.802 1.719 1.00 0.00 C ATOM 399 NE2 HIS A 25 -2.349 -17.532 2.848 1.00 0.00 N ATOM 0 H HIS A 25 -6.518 -16.725 2.752 1.00 0.00 H new ATOM 0 HA HIS A 25 -5.430 -15.934 5.264 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.529 -14.621 2.528 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.532 -14.084 3.866 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -3.682 -17.320 4.604 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.642 -16.991 0.889 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -1.762 -18.332 3.084 1.00 0.00 H new ATOM 407 N GLY A 26 -7.949 -14.148 4.027 1.00 0.00 N ATOM 408 CA GLY A 26 -9.037 -13.256 4.380 1.00 0.00 C ATOM 409 C GLY A 26 -9.748 -12.778 3.126 1.00 0.00 C ATOM 410 O GLY A 26 -9.355 -13.112 2.006 1.00 0.00 O ATOM 0 H GLY A 26 -7.982 -14.457 3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.742 -13.770 5.033 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.651 -12.402 4.937 1.00 0.00 H new ATOM 414 N LEU A 27 -10.795 -11.981 3.300 1.00 0.00 N ATOM 415 CA LEU A 27 -11.609 -11.498 2.202 1.00 0.00 C ATOM 416 C LEU A 27 -11.003 -10.255 1.564 1.00 0.00 C ATOM 417 O LEU A 27 -10.618 -9.307 2.250 1.00 0.00 O ATOM 418 CB LEU A 27 -12.995 -11.163 2.746 1.00 0.00 C ATOM 419 CG LEU A 27 -13.977 -10.611 1.706 1.00 0.00 C ATOM 420 CD1 LEU A 27 -14.257 -11.598 0.578 1.00 0.00 C ATOM 421 CD2 LEU A 27 -15.293 -10.281 2.398 1.00 0.00 C ATOM 0 H LEU A 27 -11.102 -11.652 4.215 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.665 -12.272 1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.423 -12.062 3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.888 -10.433 3.548 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.521 -9.725 1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.958 -11.154 -0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.326 -11.836 0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -14.687 -12.510 0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.000 -9.887 1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.703 -11.184 2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.119 -9.535 3.173 1.00 0.00 H new ATOM 433 N ALA A 28 -11.064 -10.209 0.236 1.00 0.00 N ATOM 434 CA ALA A 28 -10.935 -9.006 -0.561 1.00 0.00 C ATOM 435 C ALA A 28 -11.906 -9.080 -1.756 1.00 0.00 C ATOM 436 O ALA A 28 -12.351 -10.160 -2.159 1.00 0.00 O ATOM 437 CB ALA A 28 -9.481 -8.882 -0.993 1.00 0.00 C ATOM 0 H ALA A 28 -11.211 -11.044 -0.331 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.199 -8.115 0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.356 -7.983 -1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.843 -8.819 -0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.201 -9.755 -1.582 1.00 0.00 H new ATOM 443 N ALA A 29 -12.236 -7.914 -2.298 1.00 0.00 N ATOM 444 CA ALA A 29 -13.089 -7.584 -3.435 1.00 0.00 C ATOM 445 C ALA A 29 -12.893 -6.090 -3.769 1.00 0.00 C ATOM 446 O ALA A 29 -12.614 -5.284 -2.871 1.00 0.00 O ATOM 447 CB ALA A 29 -14.546 -7.812 -3.042 1.00 0.00 C ATOM 0 H ALA A 29 -11.858 -7.058 -1.892 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.834 -8.205 -4.294 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.193 -7.568 -3.885 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.689 -8.857 -2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.798 -7.174 -2.195 1.00 0.00 H new ATOM 453 N PHE A 30 -13.000 -5.724 -5.049 1.00 0.00 N ATOM 454 CA PHE A 30 -12.830 -4.364 -5.569 1.00 0.00 C ATOM 455 C PHE A 30 -14.019 -3.477 -5.191 1.00 0.00 C ATOM 456 O PHE A 30 -15.083 -3.578 -5.806 1.00 0.00 O ATOM 457 CB PHE A 30 -12.675 -4.451 -7.095 1.00 0.00 C ATOM 458 CG PHE A 30 -12.712 -3.146 -7.866 1.00 0.00 C ATOM 459 CD1 PHE A 30 -11.546 -2.370 -7.997 1.00 0.00 C ATOM 460 CD2 PHE A 30 -13.894 -2.748 -8.522 1.00 0.00 C ATOM 461 CE1 PHE A 30 -11.557 -1.219 -8.804 1.00 0.00 C ATOM 462 CE2 PHE A 30 -13.905 -1.593 -9.319 1.00 0.00 C ATOM 463 CZ PHE A 30 -12.733 -0.836 -9.472 1.00 0.00 C ATOM 0 H PHE A 30 -13.217 -6.397 -5.784 1.00 0.00 H new ATOM 0 HA PHE A 30 -11.942 -3.910 -5.130 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.728 -4.946 -7.312 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.466 -5.094 -7.480 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -10.644 -2.658 -7.478 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.794 -3.334 -8.411 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.660 -0.628 -8.911 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -14.815 -1.287 -9.814 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.735 0.041 -10.103 1.00 0.00 H new ATOM 473 N ARG A 31 -13.820 -2.557 -4.242 1.00 0.00 N ATOM 474 CA ARG A 31 -14.848 -1.610 -3.825 1.00 0.00 C ATOM 475 C ARG A 31 -14.468 -0.239 -4.354 1.00 0.00 C ATOM 476 O ARG A 31 -14.181 0.680 -3.591 1.00 0.00 O ATOM 477 CB ARG A 31 -15.050 -1.687 -2.296 1.00 0.00 C ATOM 478 CG ARG A 31 -16.265 -0.914 -1.745 1.00 0.00 C ATOM 479 CD ARG A 31 -17.607 -1.340 -2.345 1.00 0.00 C ATOM 480 NE ARG A 31 -18.026 -2.708 -2.001 1.00 0.00 N ATOM 481 CZ ARG A 31 -18.901 -3.465 -2.678 1.00 0.00 C ATOM 482 NH1 ARG A 31 -19.604 -2.951 -3.683 1.00 0.00 N ATOM 483 NH2 ARG A 31 -19.074 -4.735 -2.337 1.00 0.00 N ATOM 0 H ARG A 31 -12.937 -2.451 -3.742 1.00 0.00 H new ATOM 0 HA ARG A 31 -15.824 -1.852 -4.246 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -15.150 -2.735 -2.013 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.151 -1.310 -1.809 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -16.305 -1.046 -0.664 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -16.119 0.150 -1.931 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -18.376 -0.644 -2.011 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -17.548 -1.254 -3.430 1.00 0.00 H new ATOM 0 HE ARG A 31 -17.610 -3.120 -1.166 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -19.480 -1.973 -3.945 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -20.267 -3.535 -4.192 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -18.542 -5.132 -1.562 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -19.739 -5.315 -2.849 1.00 0.00 H new ATOM 497 N GLY A 32 -14.487 -0.098 -5.677 1.00 0.00 N ATOM 498 CA GLY A 32 -14.179 1.162 -6.322 1.00 0.00 C ATOM 499 C GLY A 32 -12.681 1.463 -6.375 1.00 0.00 C ATOM 500 O GLY A 32 -11.807 0.623 -6.133 1.00 0.00 O ATOM 0 H GLY A 32 -14.716 -0.853 -6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -14.576 1.150 -7.337 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.686 1.968 -5.791 1.00 0.00 H new ATOM 504 N ARG A 33 -12.372 2.692 -6.778 1.00 0.00 N ATOM 505 CA ARG A 33 -11.023 3.161 -7.081 1.00 0.00 C ATOM 506 C ARG A 33 -10.683 4.362 -6.216 1.00 0.00 C ATOM 507 O ARG A 33 -11.578 5.023 -5.702 1.00 0.00 O ATOM 508 CB ARG A 33 -10.949 3.588 -8.545 1.00 0.00 C ATOM 509 CG ARG A 33 -11.090 2.466 -9.571 1.00 0.00 C ATOM 510 CD ARG A 33 -10.717 3.019 -10.948 1.00 0.00 C ATOM 511 NE ARG A 33 -11.704 3.994 -11.425 1.00 0.00 N ATOM 512 CZ ARG A 33 -11.661 4.682 -12.565 1.00 0.00 C ATOM 513 NH1 ARG A 33 -10.489 4.972 -13.128 1.00 0.00 N ATOM 514 NH2 ARG A 33 -12.803 5.065 -13.118 1.00 0.00 N ATOM 0 H ARG A 33 -13.080 3.415 -6.907 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.319 2.352 -6.885 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.731 4.324 -8.729 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.995 4.089 -8.710 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.441 1.630 -9.310 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.112 2.086 -9.579 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.735 3.490 -10.898 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.641 2.199 -11.662 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.508 4.163 -10.820 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.622 4.667 -12.686 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.459 5.499 -14.001 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.690 4.832 -12.671 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.795 5.593 -13.991 1.00 0.00 H new ATOM 528 N GLY A 34 -9.405 4.737 -6.139 1.00 0.00 N ATOM 529 CA GLY A 34 -9.024 5.959 -5.457 1.00 0.00 C ATOM 530 C GLY A 34 -7.582 6.350 -5.705 1.00 0.00 C ATOM 531 O GLY A 34 -6.834 5.643 -6.382 1.00 0.00 O ATOM 0 H GLY A 34 -8.627 4.212 -6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.676 6.769 -5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.182 5.835 -4.386 1.00 0.00 H new ATOM 535 N CYS A 35 -7.202 7.487 -5.143 1.00 0.00 N ATOM 536 CA CYS A 35 -5.866 8.069 -5.194 1.00 0.00 C ATOM 537 C CYS A 35 -5.641 8.842 -3.879 1.00 0.00 C ATOM 538 O CYS A 35 -6.625 9.289 -3.289 1.00 0.00 O ATOM 539 CB CYS A 35 -5.831 8.940 -6.460 1.00 0.00 C ATOM 540 SG CYS A 35 -7.005 10.309 -6.398 1.00 0.00 S ATOM 0 H CYS A 35 -7.853 8.062 -4.608 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.055 7.344 -5.264 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.825 9.336 -6.596 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.049 8.319 -7.329 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.921 11.003 -7.494 1.00 0.00 H new ATOM 546 N THR A 36 -4.415 9.032 -3.383 1.00 0.00 N ATOM 547 CA THR A 36 -4.201 9.890 -2.218 1.00 0.00 C ATOM 548 C THR A 36 -4.154 11.333 -2.723 1.00 0.00 C ATOM 549 O THR A 36 -3.245 11.693 -3.472 1.00 0.00 O ATOM 550 CB THR A 36 -2.960 9.492 -1.396 1.00 0.00 C ATOM 551 OG1 THR A 36 -1.739 9.630 -2.096 1.00 0.00 O ATOM 552 CG2 THR A 36 -3.052 8.076 -0.821 1.00 0.00 C ATOM 0 H THR A 36 -3.568 8.610 -3.764 1.00 0.00 H new ATOM 0 HA THR A 36 -5.023 9.773 -1.511 1.00 0.00 H new ATOM 0 HB THR A 36 -2.957 10.208 -0.574 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.815 10.359 -2.747 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.149 7.855 -0.253 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.920 8.005 -0.165 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.153 7.359 -1.635 1.00 0.00 H new ATOM 560 N VAL A 37 -5.160 12.144 -2.394 1.00 0.00 N ATOM 561 CA VAL A 37 -5.126 13.585 -2.654 1.00 0.00 C ATOM 562 C VAL A 37 -4.223 14.303 -1.648 1.00 0.00 C ATOM 563 O VAL A 37 -3.582 15.302 -1.982 1.00 0.00 O ATOM 564 CB VAL A 37 -6.538 14.188 -2.682 1.00 0.00 C ATOM 565 CG1 VAL A 37 -7.088 14.027 -4.105 1.00 0.00 C ATOM 566 CG2 VAL A 37 -7.485 13.575 -1.635 1.00 0.00 C ATOM 0 H VAL A 37 -6.017 11.824 -1.942 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.698 13.733 -3.645 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.474 15.242 -2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.092 14.447 -4.157 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.439 14.551 -4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.124 12.969 -4.364 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.465 14.047 -1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -7.583 12.504 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.079 13.739 -0.637 1.00 0.00 H new ATOM 576 N GLU A 38 -4.117 13.761 -0.431 1.00 0.00 N ATOM 577 CA GLU A 38 -2.951 13.979 0.404 1.00 0.00 C ATOM 578 C GLU A 38 -1.772 13.417 -0.380 1.00 0.00 C ATOM 579 O GLU A 38 -1.710 12.218 -0.658 1.00 0.00 O ATOM 580 CB GLU A 38 -3.113 13.315 1.786 1.00 0.00 C ATOM 581 CG GLU A 38 -3.610 14.353 2.799 1.00 0.00 C ATOM 582 CD GLU A 38 -4.255 13.803 4.079 1.00 0.00 C ATOM 583 OE1 GLU A 38 -3.907 12.716 4.591 1.00 0.00 O ATOM 584 OE2 GLU A 38 -5.093 14.543 4.646 1.00 0.00 O ATOM 0 H GLU A 38 -4.831 13.168 -0.009 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.801 15.037 0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.819 12.487 1.722 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.161 12.898 2.114 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.767 14.983 3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.335 14.997 2.301 1.00 0.00 H new ATOM 591 N SER A 39 -0.859 14.288 -0.799 1.00 0.00 N ATOM 592 CA SER A 39 0.403 13.808 -1.328 1.00 0.00 C ATOM 593 C SER A 39 1.169 13.131 -0.190 1.00 0.00 C ATOM 594 O SER A 39 1.096 13.601 0.947 1.00 0.00 O ATOM 595 CB SER A 39 1.188 14.973 -1.907 1.00 0.00 C ATOM 596 OG SER A 39 0.407 15.640 -2.882 1.00 0.00 O ATOM 0 H SER A 39 -0.968 15.302 -0.782 1.00 0.00 H new ATOM 0 HA SER A 39 0.241 13.087 -2.129 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.466 15.667 -1.113 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.115 14.613 -2.354 1.00 0.00 H new ATOM 0 HG SER A 39 -0.050 14.979 -3.443 1.00 0.00 H new ATOM 602 N PHE A 40 1.899 12.060 -0.492 1.00 0.00 N ATOM 603 CA PHE A 40 2.563 11.246 0.512 1.00 0.00 C ATOM 604 C PHE A 40 3.897 10.729 -0.077 1.00 0.00 C ATOM 605 O PHE A 40 4.032 10.619 -1.300 1.00 0.00 O ATOM 606 CB PHE A 40 1.670 10.047 0.845 1.00 0.00 C ATOM 607 CG PHE A 40 0.550 10.280 1.835 1.00 0.00 C ATOM 608 CD1 PHE A 40 0.789 10.679 3.161 1.00 0.00 C ATOM 609 CD2 PHE A 40 -0.767 10.056 1.405 1.00 0.00 C ATOM 610 CE1 PHE A 40 -0.292 10.841 4.051 1.00 0.00 C ATOM 611 CE2 PHE A 40 -1.846 10.213 2.284 1.00 0.00 C ATOM 612 CZ PHE A 40 -1.605 10.594 3.611 1.00 0.00 C ATOM 0 H PHE A 40 2.045 11.734 -1.447 1.00 0.00 H new ATOM 0 HA PHE A 40 2.750 11.832 1.412 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.231 9.683 -0.084 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.304 9.249 1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.799 10.861 3.498 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.951 9.759 0.383 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.112 11.154 5.069 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.856 10.042 1.942 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.431 10.698 4.299 1.00 0.00 H new ATOM 622 N PRO A 41 4.889 10.411 0.772 1.00 0.00 N ATOM 623 CA PRO A 41 6.270 10.055 0.403 1.00 0.00 C ATOM 624 C PRO A 41 6.489 8.573 0.028 1.00 0.00 C ATOM 625 O PRO A 41 6.605 7.732 0.917 1.00 0.00 O ATOM 626 CB PRO A 41 7.074 10.397 1.668 1.00 0.00 C ATOM 627 CG PRO A 41 6.076 10.179 2.792 1.00 0.00 C ATOM 628 CD PRO A 41 4.785 10.667 2.200 1.00 0.00 C ATOM 0 HA PRO A 41 6.566 10.593 -0.498 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.947 9.753 1.775 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.437 11.425 1.647 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.016 9.129 3.080 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.347 10.740 3.686 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.933 10.142 2.631 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.639 11.729 2.398 1.00 0.00 H new ATOM 636 N LEU A 42 6.625 8.226 -1.256 1.00 0.00 N ATOM 637 CA LEU A 42 6.841 6.837 -1.702 1.00 0.00 C ATOM 638 C LEU A 42 8.317 6.705 -2.128 1.00 0.00 C ATOM 639 O LEU A 42 8.711 7.237 -3.167 1.00 0.00 O ATOM 640 CB LEU A 42 5.815 6.521 -2.817 1.00 0.00 C ATOM 641 CG LEU A 42 5.103 5.152 -2.923 1.00 0.00 C ATOM 642 CD1 LEU A 42 4.788 4.786 -4.381 1.00 0.00 C ATOM 643 CD2 LEU A 42 5.829 3.973 -2.309 1.00 0.00 C ATOM 0 H LEU A 42 6.589 8.899 -2.021 1.00 0.00 H new ATOM 0 HA LEU A 42 6.674 6.100 -0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.032 7.276 -2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.326 6.682 -3.766 1.00 0.00 H new ATOM 0 HG LEU A 42 4.198 5.314 -2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.288 3.818 -4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.137 5.545 -4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.715 4.735 -4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.235 3.069 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.796 3.848 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.979 4.152 -1.244 1.00 0.00 H new ATOM 655 N VAL A 43 9.158 6.088 -1.284 1.00 0.00 N ATOM 656 CA VAL A 43 10.616 5.949 -1.430 1.00 0.00 C ATOM 657 C VAL A 43 11.078 4.484 -1.364 1.00 0.00 C ATOM 658 O VAL A 43 10.736 3.764 -0.422 1.00 0.00 O ATOM 659 CB VAL A 43 11.327 6.782 -0.343 1.00 0.00 C ATOM 660 CG1 VAL A 43 11.079 8.271 -0.600 1.00 0.00 C ATOM 661 CG2 VAL A 43 10.919 6.416 1.103 1.00 0.00 C ATOM 0 H VAL A 43 8.818 5.646 -0.430 1.00 0.00 H new ATOM 0 HA VAL A 43 10.884 6.321 -2.419 1.00 0.00 H new ATOM 0 HB VAL A 43 12.389 6.547 -0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.581 8.861 0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.471 8.541 -1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.008 8.472 -0.570 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.464 7.047 1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.848 6.573 1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.158 5.370 1.295 1.00 0.00 H new ATOM 671 N ILE A 44 11.851 4.023 -2.347 1.00 0.00 N ATOM 672 CA ILE A 44 12.232 2.622 -2.480 1.00 0.00 C ATOM 673 C ILE A 44 13.583 2.433 -1.787 1.00 0.00 C ATOM 674 O ILE A 44 14.649 2.677 -2.361 1.00 0.00 O ATOM 675 CB ILE A 44 12.193 2.164 -3.953 1.00 0.00 C ATOM 676 CG1 ILE A 44 10.818 2.467 -4.606 1.00 0.00 C ATOM 677 CG2 ILE A 44 12.481 0.648 -4.008 1.00 0.00 C ATOM 678 CD1 ILE A 44 10.940 2.797 -6.086 1.00 0.00 C ATOM 0 H ILE A 44 12.233 4.620 -3.080 1.00 0.00 H new ATOM 0 HA ILE A 44 11.513 1.970 -1.985 1.00 0.00 H new ATOM 0 HB ILE A 44 12.950 2.714 -4.512 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.162 1.606 -4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.349 3.303 -4.087 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.457 0.310 -5.044 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.466 0.449 -3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 44 11.724 0.113 -3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.951 3.001 -6.496 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.573 3.675 -6.212 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.383 1.951 -6.612 1.00 0.00 H new ATOM 690 N ALA A 45 13.513 2.034 -0.521 1.00 0.00 N ATOM 691 CA ALA A 45 14.650 1.643 0.290 1.00 0.00 C ATOM 692 C ALA A 45 14.781 0.115 0.284 1.00 0.00 C ATOM 693 O ALA A 45 13.948 -0.596 -0.289 1.00 0.00 O ATOM 694 CB ALA A 45 14.443 2.173 1.710 1.00 0.00 C ATOM 0 H ALA A 45 12.628 1.974 -0.018 1.00 0.00 H new ATOM 0 HA ALA A 45 15.571 2.063 -0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.291 1.887 2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 45 14.362 3.260 1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 45 13.528 1.751 2.126 1.00 0.00 H new ATOM 700 N GLY A 46 15.787 -0.375 1.004 1.00 0.00 N ATOM 701 CA GLY A 46 15.912 -1.764 1.400 1.00 0.00 C ATOM 702 C GLY A 46 16.564 -2.615 0.304 1.00 0.00 C ATOM 703 O GLY A 46 16.306 -2.439 -0.889 1.00 0.00 O ATOM 0 H GLY A 46 16.558 0.206 1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 46 16.506 -1.829 2.312 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.926 -2.165 1.633 1.00 0.00 H new ATOM 707 N GLU A 47 17.375 -3.596 0.702 1.00 0.00 N ATOM 708 CA GLU A 47 18.197 -4.389 -0.213 1.00 0.00 C ATOM 709 C GLU A 47 17.407 -5.384 -1.068 1.00 0.00 C ATOM 710 O GLU A 47 17.936 -5.903 -2.055 1.00 0.00 O ATOM 711 CB GLU A 47 19.277 -5.100 0.609 1.00 0.00 C ATOM 712 CG GLU A 47 20.455 -5.595 -0.243 1.00 0.00 C ATOM 713 CD GLU A 47 21.769 -5.395 0.506 1.00 0.00 C ATOM 714 OE1 GLU A 47 22.180 -6.286 1.280 1.00 0.00 O ATOM 715 OE2 GLU A 47 22.334 -4.279 0.415 1.00 0.00 O ATOM 0 H GLU A 47 17.481 -3.865 1.680 1.00 0.00 H new ATOM 0 HA GLU A 47 18.643 -3.705 -0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 47 19.650 -4.419 1.374 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.830 -5.948 1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 47 20.322 -6.650 -0.483 1.00 0.00 H new ATOM 0 HG3 GLU A 47 20.481 -5.054 -1.189 1.00 0.00 H new ATOM 722 N HIS A 48 16.138 -5.616 -0.737 1.00 0.00 N ATOM 723 CA HIS A 48 15.214 -6.408 -1.534 1.00 0.00 C ATOM 724 C HIS A 48 14.186 -5.521 -2.245 1.00 0.00 C ATOM 725 O HIS A 48 13.198 -6.051 -2.756 1.00 0.00 O ATOM 726 CB HIS A 48 14.580 -7.499 -0.652 1.00 0.00 C ATOM 727 CG HIS A 48 15.448 -8.725 -0.552 1.00 0.00 C ATOM 728 ND1 HIS A 48 15.574 -9.745 -1.473 1.00 0.00 N ATOM 729 CD2 HIS A 48 16.281 -9.008 0.485 1.00 0.00 C ATOM 730 CE1 HIS A 48 16.484 -10.616 -1.002 1.00 0.00 C ATOM 731 NE2 HIS A 48 16.927 -10.217 0.203 1.00 0.00 N ATOM 0 H HIS A 48 15.717 -5.247 0.116 1.00 0.00 H new ATOM 0 HA HIS A 48 15.758 -6.912 -2.333 1.00 0.00 H new ATOM 0 HB2 HIS A 48 14.403 -7.099 0.346 1.00 0.00 H new ATOM 0 HB3 HIS A 48 13.609 -7.776 -1.062 1.00 0.00 H new ATOM 0 HD1 HIS A 48 15.067 -9.824 -2.354 1.00 0.00 H new ATOM 0 HD2 HIS A 48 16.420 -8.406 1.371 1.00 0.00 H new ATOM 0 HE1 HIS A 48 16.811 -11.507 -1.517 1.00 0.00 H new ATOM 739 N ASN A 49 14.419 -4.201 -2.292 1.00 0.00 N ATOM 740 CA ASN A 49 13.572 -3.178 -2.895 1.00 0.00 C ATOM 741 C ASN A 49 12.198 -3.224 -2.234 1.00 0.00 C ATOM 742 O ASN A 49 11.218 -3.719 -2.794 1.00 0.00 O ATOM 743 CB ASN A 49 13.509 -3.299 -4.431 1.00 0.00 C ATOM 744 CG ASN A 49 14.861 -3.556 -5.080 1.00 0.00 C ATOM 745 OD1 ASN A 49 15.198 -4.687 -5.410 1.00 0.00 O ATOM 746 ND2 ASN A 49 15.689 -2.545 -5.275 1.00 0.00 N ATOM 0 H ASN A 49 15.262 -3.800 -1.881 1.00 0.00 H new ATOM 0 HA ASN A 49 14.009 -2.196 -2.714 1.00 0.00 H new ATOM 0 HB2 ASN A 49 12.829 -4.109 -4.695 1.00 0.00 H new ATOM 0 HB3 ASN A 49 13.087 -2.382 -4.842 1.00 0.00 H new ATOM 0 HD21 ASN A 49 16.603 -2.708 -5.698 1.00 0.00 H new ATOM 0 HD22 ASN A 49 15.415 -1.601 -5.003 1.00 0.00 H new ATOM 753 N ILE A 50 12.135 -2.738 -0.998 1.00 0.00 N ATOM 754 CA ILE A 50 10.942 -2.701 -0.177 1.00 0.00 C ATOM 755 C ILE A 50 10.509 -1.239 -0.045 1.00 0.00 C ATOM 756 O ILE A 50 10.993 -0.543 0.843 1.00 0.00 O ATOM 757 CB ILE A 50 11.143 -3.484 1.137 1.00 0.00 C ATOM 758 CG1 ILE A 50 11.531 -4.944 0.814 1.00 0.00 C ATOM 759 CG2 ILE A 50 9.841 -3.501 1.956 1.00 0.00 C ATOM 760 CD1 ILE A 50 11.791 -5.781 2.065 1.00 0.00 C ATOM 0 H ILE A 50 12.950 -2.345 -0.527 1.00 0.00 H new ATOM 0 HA ILE A 50 10.107 -3.227 -0.639 1.00 0.00 H new ATOM 0 HB ILE A 50 11.931 -2.997 1.711 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.733 -5.407 0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 50 12.424 -4.947 0.189 1.00 0.00 H new ATOM 0 HG21 ILE A 50 10.000 -4.057 2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.547 -2.479 2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.052 -3.979 1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 50 12.059 -6.797 1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 50 12.608 -5.339 2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 50 10.891 -5.805 2.680 1.00 0.00 H new ATOM 772 N PRO A 51 9.711 -0.695 -0.981 1.00 0.00 N ATOM 773 CA PRO A 51 9.126 0.623 -0.805 1.00 0.00 C ATOM 774 C PRO A 51 8.242 0.693 0.444 1.00 0.00 C ATOM 775 O PRO A 51 7.292 -0.079 0.580 1.00 0.00 O ATOM 776 CB PRO A 51 8.359 0.921 -2.095 1.00 0.00 C ATOM 777 CG PRO A 51 8.094 -0.446 -2.710 1.00 0.00 C ATOM 778 CD PRO A 51 9.271 -1.288 -2.237 1.00 0.00 C ATOM 0 HA PRO A 51 9.892 1.379 -0.636 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.428 1.450 -1.889 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.942 1.551 -2.766 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.144 -0.860 -2.372 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.050 -0.394 -3.798 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.975 -2.327 -2.095 1.00 0.00 H new ATOM 0 HD3 PRO A 51 10.075 -1.283 -2.973 1.00 0.00 H new ATOM 786 N TRP A 52 8.520 1.672 1.303 1.00 0.00 N ATOM 787 CA TRP A 52 7.787 2.056 2.495 1.00 0.00 C ATOM 788 C TRP A 52 7.023 3.333 2.191 1.00 0.00 C ATOM 789 O TRP A 52 7.645 4.318 1.775 1.00 0.00 O ATOM 790 CB TRP A 52 8.788 2.356 3.614 1.00 0.00 C ATOM 791 CG TRP A 52 9.733 1.240 3.876 1.00 0.00 C ATOM 792 CD1 TRP A 52 10.953 1.066 3.323 1.00 0.00 C ATOM 793 CD2 TRP A 52 9.480 0.055 4.662 1.00 0.00 C ATOM 794 NE1 TRP A 52 11.469 -0.153 3.726 1.00 0.00 N ATOM 795 CE2 TRP A 52 10.590 -0.823 4.543 1.00 0.00 C ATOM 796 CE3 TRP A 52 8.384 -0.379 5.423 1.00 0.00 C ATOM 797 CZ2 TRP A 52 10.614 -2.074 5.168 1.00 0.00 C ATOM 798 CZ3 TRP A 52 8.378 -1.649 6.007 1.00 0.00 C ATOM 799 CH2 TRP A 52 9.488 -2.506 5.880 1.00 0.00 C ATOM 0 H TRP A 52 9.338 2.266 1.165 1.00 0.00 H new ATOM 0 HA TRP A 52 7.109 1.258 2.796 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.356 3.249 3.353 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.241 2.582 4.530 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.448 1.768 2.669 1.00 0.00 H new ATOM 0 HE1 TRP A 52 12.385 -0.509 3.452 1.00 0.00 H new ATOM 0 HE3 TRP A 52 7.536 0.275 5.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.491 -2.700 5.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 7.512 -1.977 6.562 1.00 0.00 H new ATOM 0 HH2 TRP A 52 9.471 -3.489 6.328 1.00 0.00 H new ATOM 810 N LEU A 53 5.709 3.377 2.411 1.00 0.00 N ATOM 811 CA LEU A 53 5.003 4.651 2.368 1.00 0.00 C ATOM 812 C LEU A 53 4.987 5.193 3.776 1.00 0.00 C ATOM 813 O LEU A 53 4.562 4.503 4.699 1.00 0.00 O ATOM 814 CB LEU A 53 3.591 4.505 1.804 1.00 0.00 C ATOM 815 CG LEU A 53 2.904 5.865 1.536 1.00 0.00 C ATOM 816 CD1 LEU A 53 1.978 6.381 2.649 1.00 0.00 C ATOM 817 CD2 LEU A 53 3.745 6.960 0.890 1.00 0.00 C ATOM 0 H LEU A 53 5.126 2.565 2.616 1.00 0.00 H new ATOM 0 HA LEU A 53 5.513 5.342 1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.634 3.936 0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.984 3.929 2.503 1.00 0.00 H new ATOM 0 HG LEU A 53 2.234 5.567 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.552 7.340 2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.175 5.663 2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.549 6.506 3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.138 7.856 0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.598 7.188 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.101 6.620 -0.082 1.00 0.00 H new ATOM 829 N LEU A 54 5.484 6.402 3.966 1.00 0.00 N ATOM 830 CA LEU A 54 5.526 7.021 5.265 1.00 0.00 C ATOM 831 C LEU A 54 4.314 7.913 5.440 1.00 0.00 C ATOM 832 O LEU A 54 3.794 8.470 4.470 1.00 0.00 O ATOM 833 CB LEU A 54 6.801 7.822 5.376 1.00 0.00 C ATOM 834 CG LEU A 54 8.066 7.114 4.895 1.00 0.00 C ATOM 835 CD1 LEU A 54 8.208 5.618 5.179 1.00 0.00 C ATOM 836 CD2 LEU A 54 8.605 7.498 3.535 1.00 0.00 C ATOM 0 H LEU A 54 5.869 6.978 3.218 1.00 0.00 H new ATOM 0 HA LEU A 54 5.509 6.264 6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.682 8.743 4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.940 8.109 6.418 1.00 0.00 H new ATOM 0 HG LEU A 54 8.745 7.581 5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.156 5.260 4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.182 5.448 6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.387 5.078 4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.503 6.918 3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.852 7.292 2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.848 8.560 3.527 1.00 0.00 H new ATOM 848 N TYR A 55 3.858 8.038 6.679 1.00 0.00 N ATOM 849 CA TYR A 55 2.744 8.916 6.964 1.00 0.00 C ATOM 850 C TYR A 55 3.245 10.367 6.957 1.00 0.00 C ATOM 851 O TYR A 55 3.659 10.885 7.994 1.00 0.00 O ATOM 852 CB TYR A 55 2.061 8.484 8.265 1.00 0.00 C ATOM 853 CG TYR A 55 0.715 9.149 8.454 1.00 0.00 C ATOM 854 CD1 TYR A 55 0.626 10.481 8.904 1.00 0.00 C ATOM 855 CD2 TYR A 55 -0.454 8.435 8.148 1.00 0.00 C ATOM 856 CE1 TYR A 55 -0.624 11.124 8.997 1.00 0.00 C ATOM 857 CE2 TYR A 55 -1.711 9.046 8.315 1.00 0.00 C ATOM 858 CZ TYR A 55 -1.802 10.405 8.692 1.00 0.00 C ATOM 859 OH TYR A 55 -3.026 10.990 8.813 1.00 0.00 O ATOM 0 H TYR A 55 4.239 7.548 7.489 1.00 0.00 H new ATOM 0 HA TYR A 55 1.973 8.849 6.196 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.932 7.402 8.263 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.706 8.727 9.110 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.524 11.014 9.180 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.389 7.420 7.785 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.682 12.159 9.299 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.612 8.472 8.154 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.722 10.348 8.560 1.00 0.00 H new ATOM 869 N LEU A 56 3.222 11.052 5.809 1.00 0.00 N ATOM 870 CA LEU A 56 3.530 12.485 5.752 1.00 0.00 C ATOM 871 C LEU A 56 2.566 13.195 4.804 1.00 0.00 C ATOM 872 O LEU A 56 2.887 13.375 3.630 1.00 0.00 O ATOM 873 CB LEU A 56 5.016 12.776 5.447 1.00 0.00 C ATOM 874 CG LEU A 56 5.569 13.888 6.374 1.00 0.00 C ATOM 875 CD1 LEU A 56 6.777 13.381 7.163 1.00 0.00 C ATOM 876 CD2 LEU A 56 5.936 15.156 5.602 1.00 0.00 C ATOM 0 H LEU A 56 2.993 10.637 4.906 1.00 0.00 H new ATOM 0 HA LEU A 56 3.376 12.899 6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.602 11.866 5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.124 13.079 4.406 1.00 0.00 H new ATOM 0 HG LEU A 56 4.771 14.149 7.070 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.150 14.177 7.808 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.481 12.528 7.774 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.562 13.077 6.471 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.319 15.906 6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.701 14.922 4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.051 15.545 5.099 1.00 0.00 H new ATOM 888 N PRO A 57 1.366 13.554 5.281 1.00 0.00 N ATOM 889 CA PRO A 57 0.362 14.191 4.450 1.00 0.00 C ATOM 890 C PRO A 57 0.895 15.529 3.938 1.00 0.00 C ATOM 891 O PRO A 57 1.492 16.329 4.670 1.00 0.00 O ATOM 892 CB PRO A 57 -0.885 14.317 5.325 1.00 0.00 C ATOM 893 CG PRO A 57 -0.344 14.300 6.750 1.00 0.00 C ATOM 894 CD PRO A 57 0.890 13.414 6.649 1.00 0.00 C ATOM 0 HA PRO A 57 0.114 13.619 3.556 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.427 15.239 5.116 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.578 13.494 5.152 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.092 15.302 7.096 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.073 13.895 7.452 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.654 13.724 7.363 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.646 12.376 6.874 1.00 0.00 H new ATOM 902 N GLY A 58 0.681 15.751 2.648 1.00 0.00 N ATOM 903 CA GLY A 58 0.998 16.972 1.946 1.00 0.00 C ATOM 904 C GLY A 58 2.418 17.026 1.387 1.00 0.00 C ATOM 905 O GLY A 58 2.725 18.025 0.733 1.00 0.00 O ATOM 0 H GLY A 58 0.262 15.047 2.041 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.292 17.099 1.125 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.854 17.814 2.623 1.00 0.00 H new ATOM 909 N LYS A 59 3.278 16.012 1.579 1.00 0.00 N ATOM 910 CA LYS A 59 4.642 15.998 1.056 1.00 0.00 C ATOM 911 C LYS A 59 4.823 14.687 0.302 1.00 0.00 C ATOM 912 O LYS A 59 4.458 13.642 0.825 1.00 0.00 O ATOM 913 CB LYS A 59 5.595 16.078 2.257 1.00 0.00 C ATOM 914 CG LYS A 59 7.082 16.014 1.882 1.00 0.00 C ATOM 915 CD LYS A 59 7.756 17.382 1.744 1.00 0.00 C ATOM 916 CE LYS A 59 8.294 17.831 3.109 1.00 0.00 C ATOM 917 NZ LYS A 59 9.080 19.073 3.013 1.00 0.00 N ATOM 0 H LYS A 59 3.037 15.174 2.108 1.00 0.00 H new ATOM 0 HA LYS A 59 4.844 16.831 0.383 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.407 17.007 2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.369 15.261 2.942 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.611 15.436 2.640 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.184 15.475 0.940 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.570 17.326 1.021 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.043 18.114 1.365 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.460 17.982 3.795 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.915 17.041 3.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.424 19.340 3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.891 18.923 2.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.481 19.834 2.635 1.00 0.00 H new ATOM 931 N GLY A 60 5.436 14.709 -0.879 1.00 0.00 N ATOM 932 CA GLY A 60 5.668 13.525 -1.685 1.00 0.00 C ATOM 933 C GLY A 60 4.973 13.738 -3.011 1.00 0.00 C ATOM 934 O GLY A 60 5.374 14.643 -3.736 1.00 0.00 O ATOM 0 H GLY A 60 5.789 15.566 -1.305 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.736 13.364 -1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.278 12.638 -1.185 1.00 0.00 H new ATOM 938 N HIS A 61 3.932 12.964 -3.299 1.00 0.00 N ATOM 939 CA HIS A 61 3.058 13.104 -4.464 1.00 0.00 C ATOM 940 C HIS A 61 1.753 12.366 -4.190 1.00 0.00 C ATOM 941 O HIS A 61 1.643 11.588 -3.243 1.00 0.00 O ATOM 942 CB HIS A 61 3.651 12.414 -5.694 1.00 0.00 C ATOM 943 CG HIS A 61 4.361 11.164 -5.322 1.00 0.00 C ATOM 944 ND1 HIS A 61 3.758 10.045 -4.809 1.00 0.00 N ATOM 945 CD2 HIS A 61 5.710 10.991 -5.294 1.00 0.00 C ATOM 946 CE1 HIS A 61 4.734 9.182 -4.537 1.00 0.00 C ATOM 947 NE2 HIS A 61 5.936 9.719 -4.775 1.00 0.00 N ATOM 0 H HIS A 61 3.660 12.185 -2.700 1.00 0.00 H new ATOM 0 HA HIS A 61 2.925 14.171 -4.642 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.856 12.186 -6.404 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.342 13.091 -6.196 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.759 9.902 -4.664 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.459 11.701 -5.612 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.576 8.178 -4.171 1.00 0.00 H new ATOM 955 N CYS A 62 0.800 12.535 -5.091 1.00 0.00 N ATOM 956 CA CYS A 62 -0.434 11.781 -5.120 1.00 0.00 C ATOM 957 C CYS A 62 -0.195 10.344 -5.609 1.00 0.00 C ATOM 958 O CYS A 62 -0.035 10.120 -6.810 1.00 0.00 O ATOM 959 CB CYS A 62 -1.457 12.560 -5.958 1.00 0.00 C ATOM 960 SG CYS A 62 -1.624 14.279 -5.381 1.00 0.00 S ATOM 0 H CYS A 62 0.869 13.221 -5.842 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.841 11.669 -4.115 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.151 12.555 -7.004 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.425 12.062 -5.906 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.496 14.901 -6.117 1.00 0.00 H new ATOM 966 N VAL A 63 -0.183 9.375 -4.685 1.00 0.00 N ATOM 967 CA VAL A 63 -0.024 7.954 -4.973 1.00 0.00 C ATOM 968 C VAL A 63 -1.334 7.340 -5.492 1.00 0.00 C ATOM 969 O VAL A 63 -2.276 7.114 -4.725 1.00 0.00 O ATOM 970 CB VAL A 63 0.488 7.205 -3.719 1.00 0.00 C ATOM 971 CG1 VAL A 63 0.774 5.728 -4.033 1.00 0.00 C ATOM 972 CG2 VAL A 63 1.783 7.803 -3.165 1.00 0.00 C ATOM 0 H VAL A 63 -0.287 9.569 -3.689 1.00 0.00 H new ATOM 0 HA VAL A 63 0.719 7.847 -5.763 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.307 7.303 -2.980 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.132 5.228 -3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.141 5.245 -4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.534 5.662 -4.812 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.097 7.240 -2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.562 7.753 -3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.614 8.843 -2.887 1.00 0.00 H new ATOM 982 N THR A 64 -1.385 7.023 -6.786 1.00 0.00 N ATOM 983 CA THR A 64 -2.542 6.386 -7.408 1.00 0.00 C ATOM 984 C THR A 64 -2.759 4.963 -6.854 1.00 0.00 C ATOM 985 O THR A 64 -1.792 4.306 -6.451 1.00 0.00 O ATOM 986 CB THR A 64 -2.352 6.410 -8.937 1.00 0.00 C ATOM 987 OG1 THR A 64 -1.126 5.817 -9.345 1.00 0.00 O ATOM 988 CG2 THR A 64 -2.350 7.831 -9.477 1.00 0.00 C ATOM 0 H THR A 64 -0.619 7.203 -7.435 1.00 0.00 H new ATOM 0 HA THR A 64 -3.450 6.938 -7.165 1.00 0.00 H new ATOM 0 HB THR A 64 -3.192 5.840 -9.334 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.053 5.855 -10.322 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.214 7.809 -10.558 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.299 8.311 -9.240 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.535 8.393 -9.020 1.00 0.00 H new ATOM 996 N GLY A 65 -3.997 4.443 -6.871 1.00 0.00 N ATOM 997 CA GLY A 65 -4.281 3.113 -6.339 1.00 0.00 C ATOM 998 C GLY A 65 -5.714 2.662 -6.600 1.00 0.00 C ATOM 999 O GLY A 65 -6.342 3.126 -7.557 1.00 0.00 O ATOM 0 H GLY A 65 -4.812 4.927 -7.248 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.593 2.395 -6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.094 3.110 -5.265 1.00 0.00 H new ATOM 1003 N GLU A 66 -6.218 1.718 -5.800 1.00 0.00 N ATOM 1004 CA GLU A 66 -7.604 1.236 -5.807 1.00 0.00 C ATOM 1005 C GLU A 66 -8.039 0.895 -4.369 1.00 0.00 C ATOM 1006 O GLU A 66 -7.194 0.803 -3.469 1.00 0.00 O ATOM 1007 CB GLU A 66 -7.756 0.023 -6.750 1.00 0.00 C ATOM 1008 CG GLU A 66 -7.568 0.412 -8.225 1.00 0.00 C ATOM 1009 CD GLU A 66 -7.765 -0.715 -9.238 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -8.121 -1.856 -8.869 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -7.461 -0.450 -10.426 1.00 0.00 O ATOM 0 H GLU A 66 -5.646 1.247 -5.098 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.257 2.022 -6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.025 -0.739 -6.480 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.743 -0.420 -6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.266 1.215 -8.462 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.564 0.816 -8.350 1.00 0.00 H new ATOM 1018 N ILE A 67 -9.340 0.695 -4.140 1.00 0.00 N ATOM 1019 CA ILE A 67 -9.938 0.513 -2.817 1.00 0.00 C ATOM 1020 C ILE A 67 -10.463 -0.926 -2.766 1.00 0.00 C ATOM 1021 O ILE A 67 -11.199 -1.365 -3.650 1.00 0.00 O ATOM 1022 CB ILE A 67 -11.056 1.548 -2.572 1.00 0.00 C ATOM 1023 CG1 ILE A 67 -10.534 2.993 -2.735 1.00 0.00 C ATOM 1024 CG2 ILE A 67 -11.632 1.363 -1.153 1.00 0.00 C ATOM 1025 CD1 ILE A 67 -11.659 4.028 -2.714 1.00 0.00 C ATOM 0 H ILE A 67 -10.026 0.654 -4.894 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.206 0.673 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.837 1.384 -3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.827 3.213 -1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.987 3.075 -3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.421 2.095 -0.982 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.042 0.358 -1.055 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -10.840 1.505 -0.418 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.237 5.026 -2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.353 3.828 -3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -12.190 3.969 -1.764 1.00 0.00 H new ATOM 1037 N TYR A 68 -10.058 -1.673 -1.741 1.00 0.00 N ATOM 1038 CA TYR A 68 -10.503 -3.038 -1.497 1.00 0.00 C ATOM 1039 C TYR A 68 -11.245 -3.054 -0.141 1.00 0.00 C ATOM 1040 O TYR A 68 -10.650 -2.720 0.891 1.00 0.00 O ATOM 1041 CB TYR A 68 -9.292 -3.996 -1.679 1.00 0.00 C ATOM 1042 CG TYR A 68 -8.780 -4.034 -3.123 1.00 0.00 C ATOM 1043 CD1 TYR A 68 -9.505 -4.819 -4.040 1.00 0.00 C ATOM 1044 CD2 TYR A 68 -7.665 -3.299 -3.597 1.00 0.00 C ATOM 1045 CE1 TYR A 68 -9.212 -4.812 -5.413 1.00 0.00 C ATOM 1046 CE2 TYR A 68 -7.431 -3.230 -4.982 1.00 0.00 C ATOM 1047 CZ TYR A 68 -8.197 -3.971 -5.903 1.00 0.00 C ATOM 1048 OH TYR A 68 -7.912 -3.930 -7.236 1.00 0.00 O ATOM 0 H TYR A 68 -9.396 -1.336 -1.042 1.00 0.00 H new ATOM 0 HA TYR A 68 -11.234 -3.414 -2.213 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.483 -3.682 -1.019 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.580 -5.002 -1.373 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -10.308 -5.443 -3.677 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -7.004 -2.799 -2.904 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -9.763 -5.449 -6.089 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.642 -2.591 -5.350 1.00 0.00 H new ATOM 0 HH TYR A 68 -8.204 -3.071 -7.607 1.00 0.00 H new ATOM 1058 N GLU A 69 -12.563 -3.352 -0.137 1.00 0.00 N ATOM 1059 CA GLU A 69 -13.368 -3.620 1.068 1.00 0.00 C ATOM 1060 C GLU A 69 -12.905 -4.935 1.695 1.00 0.00 C ATOM 1061 O GLU A 69 -13.431 -6.005 1.367 1.00 0.00 O ATOM 1062 CB GLU A 69 -14.863 -3.706 0.699 1.00 0.00 C ATOM 1063 CG GLU A 69 -15.794 -4.014 1.891 1.00 0.00 C ATOM 1064 CD GLU A 69 -17.202 -4.412 1.438 1.00 0.00 C ATOM 1065 OE1 GLU A 69 -17.758 -3.784 0.513 1.00 0.00 O ATOM 1066 OE2 GLU A 69 -17.784 -5.357 2.022 1.00 0.00 O ATOM 0 H GLU A 69 -13.108 -3.414 -0.997 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.235 -2.808 1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.169 -2.762 0.248 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.994 -4.478 -0.059 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.365 -4.820 2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.856 -3.138 2.537 1.00 0.00 H new ATOM 1073 N VAL A 70 -11.830 -4.911 2.470 1.00 0.00 N ATOM 1074 CA VAL A 70 -11.321 -6.117 3.109 1.00 0.00 C ATOM 1075 C VAL A 70 -12.115 -6.376 4.397 1.00 0.00 C ATOM 1076 O VAL A 70 -12.689 -5.445 4.984 1.00 0.00 O ATOM 1077 CB VAL A 70 -9.805 -5.990 3.337 1.00 0.00 C ATOM 1078 CG1 VAL A 70 -9.046 -5.928 2.003 1.00 0.00 C ATOM 1079 CG2 VAL A 70 -9.395 -4.792 4.198 1.00 0.00 C ATOM 0 H VAL A 70 -11.292 -4.068 2.672 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.460 -6.986 2.466 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.533 -6.890 3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.977 -5.838 2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.237 -6.837 1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.385 -5.064 1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.311 -4.778 4.309 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.723 -3.870 3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.859 -4.875 5.181 1.00 0.00 H new ATOM 1089 N ASP A 71 -12.158 -7.631 4.845 1.00 0.00 N ATOM 1090 CA ASP A 71 -12.796 -7.998 6.106 1.00 0.00 C ATOM 1091 C ASP A 71 -11.795 -8.012 7.257 1.00 0.00 C ATOM 1092 O ASP A 71 -10.622 -7.675 7.103 1.00 0.00 O ATOM 1093 CB ASP A 71 -13.546 -9.331 6.017 1.00 0.00 C ATOM 1094 CG ASP A 71 -12.647 -10.540 6.291 1.00 0.00 C ATOM 1095 OD1 ASP A 71 -11.557 -10.642 5.698 1.00 0.00 O ATOM 1096 OD2 ASP A 71 -13.029 -11.342 7.174 1.00 0.00 O ATOM 0 H ASP A 71 -11.751 -8.420 4.343 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.538 -7.226 6.312 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.369 -9.327 6.731 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.986 -9.429 5.025 1.00 0.00 H new ATOM 1101 N GLU A 72 -12.291 -8.362 8.442 1.00 0.00 N ATOM 1102 CA GLU A 72 -11.503 -8.554 9.655 1.00 0.00 C ATOM 1103 C GLU A 72 -10.457 -9.648 9.473 1.00 0.00 C ATOM 1104 O GLU A 72 -9.315 -9.447 9.872 1.00 0.00 O ATOM 1105 CB GLU A 72 -12.437 -8.878 10.834 1.00 0.00 C ATOM 1106 CG GLU A 72 -12.614 -7.682 11.771 1.00 0.00 C ATOM 1107 CD GLU A 72 -11.581 -7.684 12.896 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -10.367 -7.589 12.624 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -11.978 -7.841 14.071 1.00 0.00 O ATOM 0 H GLU A 72 -13.287 -8.525 8.588 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.968 -7.629 9.869 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -13.410 -9.186 10.451 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -12.034 -9.721 11.395 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.528 -6.757 11.200 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.617 -7.700 12.198 1.00 0.00 H new ATOM 1116 N GLN A 73 -10.807 -10.797 8.883 1.00 0.00 N ATOM 1117 CA GLN A 73 -9.839 -11.866 8.697 1.00 0.00 C ATOM 1118 C GLN A 73 -8.672 -11.376 7.840 1.00 0.00 C ATOM 1119 O GLN A 73 -7.528 -11.648 8.195 1.00 0.00 O ATOM 1120 CB GLN A 73 -10.505 -13.125 8.124 1.00 0.00 C ATOM 1121 CG GLN A 73 -9.642 -14.379 8.323 1.00 0.00 C ATOM 1122 CD GLN A 73 -9.421 -14.704 9.800 1.00 0.00 C ATOM 1123 OE1 GLN A 73 -10.344 -15.127 10.498 1.00 0.00 O ATOM 1124 NE2 GLN A 73 -8.246 -14.438 10.347 1.00 0.00 N ATOM 0 H GLN A 73 -11.743 -11.002 8.533 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.434 -12.150 9.668 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.473 -13.272 8.603 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.695 -12.982 7.060 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.121 -15.228 7.834 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.677 -14.234 7.837 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.482 -14.088 9.769 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.104 -14.583 11.347 1.00 0.00 H new ATOM 1133 N MET A 74 -8.936 -10.608 6.779 1.00 0.00 N ATOM 1134 CA MET A 74 -7.889 -10.027 5.957 1.00 0.00 C ATOM 1135 C MET A 74 -7.086 -9.004 6.755 1.00 0.00 C ATOM 1136 O MET A 74 -5.861 -9.066 6.765 1.00 0.00 O ATOM 1137 CB MET A 74 -8.509 -9.390 4.705 1.00 0.00 C ATOM 1138 CG MET A 74 -7.456 -8.735 3.809 1.00 0.00 C ATOM 1139 SD MET A 74 -6.184 -9.887 3.253 1.00 0.00 S ATOM 1140 CE MET A 74 -7.153 -10.759 2.016 1.00 0.00 C ATOM 0 H MET A 74 -9.881 -10.376 6.472 1.00 0.00 H new ATOM 0 HA MET A 74 -7.202 -10.813 5.643 1.00 0.00 H new ATOM 0 HB2 MET A 74 -9.043 -10.152 4.138 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.244 -8.643 5.005 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.948 -8.299 2.940 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.984 -7.916 4.352 1.00 0.00 H new ATOM 0 HE1 MET A 74 -6.741 -11.757 1.869 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.186 -10.839 2.353 1.00 0.00 H new ATOM 0 HE3 MET A 74 -7.120 -10.210 1.075 1.00 0.00 H new ATOM 1150 N LEU A 75 -7.747 -8.039 7.401 1.00 0.00 N ATOM 1151 CA LEU A 75 -7.046 -6.997 8.163 1.00 0.00 C ATOM 1152 C LEU A 75 -6.189 -7.570 9.306 1.00 0.00 C ATOM 1153 O LEU A 75 -5.217 -6.940 9.724 1.00 0.00 O ATOM 1154 CB LEU A 75 -8.029 -5.944 8.715 1.00 0.00 C ATOM 1155 CG LEU A 75 -7.627 -4.492 8.391 1.00 0.00 C ATOM 1156 CD1 LEU A 75 -8.590 -3.536 9.100 1.00 0.00 C ATOM 1157 CD2 LEU A 75 -6.201 -4.092 8.779 1.00 0.00 C ATOM 0 H LEU A 75 -8.764 -7.956 7.413 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.370 -6.513 7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.021 -6.137 8.307 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.101 -6.059 9.796 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.676 -4.426 7.304 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.312 -2.506 8.875 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.607 -3.721 8.754 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.538 -3.699 10.176 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.028 -3.051 8.505 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.070 -4.211 9.855 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.489 -4.729 8.254 1.00 0.00 H new ATOM 1169 N ARG A 76 -6.544 -8.745 9.829 1.00 0.00 N ATOM 1170 CA ARG A 76 -5.732 -9.490 10.784 1.00 0.00 C ATOM 1171 C ARG A 76 -4.586 -10.174 10.059 1.00 0.00 C ATOM 1172 O ARG A 76 -3.435 -9.964 10.430 1.00 0.00 O ATOM 1173 CB ARG A 76 -6.604 -10.507 11.533 1.00 0.00 C ATOM 1174 CG ARG A 76 -7.533 -9.775 12.507 1.00 0.00 C ATOM 1175 CD ARG A 76 -8.504 -10.746 13.171 1.00 0.00 C ATOM 1176 NE ARG A 76 -9.469 -9.994 13.981 1.00 0.00 N ATOM 1177 CZ ARG A 76 -9.905 -10.305 15.205 1.00 0.00 C ATOM 1178 NH1 ARG A 76 -9.621 -11.472 15.775 1.00 0.00 N ATOM 1179 NH2 ARG A 76 -10.665 -9.434 15.849 1.00 0.00 N ATOM 0 H ARG A 76 -7.420 -9.211 9.594 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.310 -8.804 11.518 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.192 -11.089 10.823 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.973 -11.210 12.077 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.941 -9.269 13.269 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.091 -9.005 11.974 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.026 -11.330 12.413 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.958 -11.451 13.798 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.847 -9.143 13.565 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -9.056 -12.159 15.276 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.968 -11.680 16.711 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.907 -8.546 15.410 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.009 -9.651 16.784 1.00 0.00 H new ATOM 1193 N PHE A 77 -4.873 -10.978 9.038 1.00 0.00 N ATOM 1194 CA PHE A 77 -3.862 -11.718 8.300 1.00 0.00 C ATOM 1195 C PHE A 77 -2.751 -10.796 7.808 1.00 0.00 C ATOM 1196 O PHE A 77 -1.570 -11.081 7.994 1.00 0.00 O ATOM 1197 CB PHE A 77 -4.522 -12.438 7.126 1.00 0.00 C ATOM 1198 CG PHE A 77 -3.504 -13.021 6.176 1.00 0.00 C ATOM 1199 CD1 PHE A 77 -2.908 -14.259 6.465 1.00 0.00 C ATOM 1200 CD2 PHE A 77 -3.075 -12.276 5.061 1.00 0.00 C ATOM 1201 CE1 PHE A 77 -1.926 -14.779 5.609 1.00 0.00 C ATOM 1202 CE2 PHE A 77 -2.051 -12.770 4.239 1.00 0.00 C ATOM 1203 CZ PHE A 77 -1.493 -14.036 4.494 1.00 0.00 C ATOM 0 H PHE A 77 -5.823 -11.133 8.700 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.407 -12.451 8.966 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.164 -13.234 7.503 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.163 -11.741 6.587 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.205 -14.810 7.345 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.534 -11.324 4.838 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.501 -15.752 5.806 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.691 -12.178 3.410 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.735 -14.437 3.837 1.00 0.00 H new ATOM 1213 N LEU A 78 -3.123 -9.679 7.182 1.00 0.00 N ATOM 1214 CA LEU A 78 -2.159 -8.742 6.635 1.00 0.00 C ATOM 1215 C LEU A 78 -1.277 -8.145 7.727 1.00 0.00 C ATOM 1216 O LEU A 78 -0.196 -7.659 7.417 1.00 0.00 O ATOM 1217 CB LEU A 78 -2.861 -7.594 5.900 1.00 0.00 C ATOM 1218 CG LEU A 78 -3.553 -7.960 4.584 1.00 0.00 C ATOM 1219 CD1 LEU A 78 -4.331 -6.737 4.072 1.00 0.00 C ATOM 1220 CD2 LEU A 78 -2.558 -8.415 3.510 1.00 0.00 C ATOM 0 H LEU A 78 -4.096 -9.405 7.044 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.540 -9.305 5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.604 -7.162 6.570 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.125 -6.816 5.696 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.226 -8.795 4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.827 -6.988 3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.077 -6.445 4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.641 -5.910 3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.097 -8.663 2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.850 -7.612 3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.018 -9.294 3.863 1.00 0.00 H new ATOM 1232 N ASP A 79 -1.735 -8.048 8.974 1.00 0.00 N ATOM 1233 CA ASP A 79 -0.937 -7.484 10.067 1.00 0.00 C ATOM 1234 C ASP A 79 0.243 -8.407 10.369 1.00 0.00 C ATOM 1235 O ASP A 79 1.350 -7.947 10.641 1.00 0.00 O ATOM 1236 CB ASP A 79 -1.855 -7.277 11.275 1.00 0.00 C ATOM 1237 CG ASP A 79 -1.210 -6.537 12.438 1.00 0.00 C ATOM 1238 OD1 ASP A 79 -0.562 -7.165 13.301 1.00 0.00 O ATOM 1239 OD2 ASP A 79 -1.489 -5.324 12.568 1.00 0.00 O ATOM 0 H ASP A 79 -2.665 -8.356 9.257 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.516 -6.517 9.794 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.738 -6.724 10.954 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.198 -8.250 11.626 1.00 0.00 H new ATOM 1244 N ASP A 80 0.026 -9.714 10.202 1.00 0.00 N ATOM 1245 CA ASP A 80 1.072 -10.721 10.281 1.00 0.00 C ATOM 1246 C ASP A 80 1.931 -10.711 9.011 1.00 0.00 C ATOM 1247 O ASP A 80 3.158 -10.663 9.095 1.00 0.00 O ATOM 1248 CB ASP A 80 0.431 -12.098 10.503 1.00 0.00 C ATOM 1249 CG ASP A 80 1.497 -13.160 10.733 1.00 0.00 C ATOM 1250 OD1 ASP A 80 1.939 -13.789 9.744 1.00 0.00 O ATOM 1251 OD2 ASP A 80 1.850 -13.411 11.909 1.00 0.00 O ATOM 0 H ASP A 80 -0.897 -10.102 10.006 1.00 0.00 H new ATOM 0 HA ASP A 80 1.729 -10.496 11.121 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.240 -12.058 11.361 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.175 -12.366 9.637 1.00 0.00 H new ATOM 1256 N PHE A 81 1.310 -10.770 7.828 1.00 0.00 N ATOM 1257 CA PHE A 81 2.015 -10.885 6.548 1.00 0.00 C ATOM 1258 C PHE A 81 2.848 -9.638 6.220 1.00 0.00 C ATOM 1259 O PHE A 81 3.849 -9.738 5.506 1.00 0.00 O ATOM 1260 CB PHE A 81 1.000 -11.183 5.430 1.00 0.00 C ATOM 1261 CG PHE A 81 1.563 -11.144 4.017 1.00 0.00 C ATOM 1262 CD1 PHE A 81 2.612 -12.005 3.642 1.00 0.00 C ATOM 1263 CD2 PHE A 81 1.089 -10.193 3.092 1.00 0.00 C ATOM 1264 CE1 PHE A 81 3.194 -11.894 2.366 1.00 0.00 C ATOM 1265 CE2 PHE A 81 1.657 -10.101 1.810 1.00 0.00 C ATOM 1266 CZ PHE A 81 2.716 -10.947 1.445 1.00 0.00 C ATOM 0 H PHE A 81 0.295 -10.739 7.732 1.00 0.00 H new ATOM 0 HA PHE A 81 2.723 -11.710 6.627 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.569 -12.169 5.605 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.185 -10.462 5.499 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.970 -12.752 4.335 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.283 -9.530 3.370 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.014 -12.541 2.093 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.278 -9.377 1.104 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.160 -10.870 0.463 1.00 0.00 H new ATOM 1276 N GLU A 82 2.463 -8.463 6.720 1.00 0.00 N ATOM 1277 CA GLU A 82 3.195 -7.214 6.520 1.00 0.00 C ATOM 1278 C GLU A 82 4.038 -6.868 7.747 1.00 0.00 C ATOM 1279 O GLU A 82 4.521 -5.742 7.836 1.00 0.00 O ATOM 1280 CB GLU A 82 2.269 -6.069 6.069 1.00 0.00 C ATOM 1281 CG GLU A 82 1.408 -6.434 4.841 1.00 0.00 C ATOM 1282 CD GLU A 82 2.184 -6.686 3.548 1.00 0.00 C ATOM 1283 OE1 GLU A 82 3.396 -6.369 3.454 1.00 0.00 O ATOM 1284 OE2 GLU A 82 1.544 -7.060 2.544 1.00 0.00 O ATOM 0 H GLU A 82 1.620 -8.352 7.284 1.00 0.00 H new ATOM 0 HA GLU A 82 3.895 -7.361 5.697 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.614 -5.793 6.895 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.873 -5.192 5.834 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.829 -7.327 5.077 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.695 -5.628 4.666 1.00 0.00 H new ATOM 1291 N ASP A 83 4.254 -7.831 8.651 1.00 0.00 N ATOM 1292 CA ASP A 83 5.280 -7.829 9.697 1.00 0.00 C ATOM 1293 C ASP A 83 5.260 -6.557 10.555 1.00 0.00 C ATOM 1294 O ASP A 83 6.279 -6.118 11.095 1.00 0.00 O ATOM 1295 CB ASP A 83 6.659 -8.146 9.080 1.00 0.00 C ATOM 1296 CG ASP A 83 6.811 -9.635 8.780 1.00 0.00 C ATOM 1297 OD1 ASP A 83 6.932 -10.381 9.780 1.00 0.00 O ATOM 1298 OD2 ASP A 83 6.774 -10.049 7.593 1.00 0.00 O ATOM 0 H ASP A 83 3.686 -8.678 8.672 1.00 0.00 H new ATOM 0 HA ASP A 83 5.050 -8.624 10.406 1.00 0.00 H new ATOM 0 HB2 ASP A 83 6.787 -7.574 8.161 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.446 -7.830 9.765 1.00 0.00 H new ATOM 1303 N CYS A 84 4.095 -5.922 10.690 1.00 0.00 N ATOM 1304 CA CYS A 84 3.933 -4.811 11.613 1.00 0.00 C ATOM 1305 C CYS A 84 3.928 -5.352 13.058 1.00 0.00 C ATOM 1306 O CYS A 84 3.764 -6.557 13.262 1.00 0.00 O ATOM 1307 CB CYS A 84 2.693 -3.990 11.221 1.00 0.00 C ATOM 1308 SG CYS A 84 1.191 -4.935 10.952 1.00 0.00 S ATOM 0 H CYS A 84 3.252 -6.163 10.169 1.00 0.00 H new ATOM 0 HA CYS A 84 4.770 -4.114 11.557 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.503 -3.255 12.004 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.920 -3.435 10.311 1.00 0.00 H new ATOM 0 HG CYS A 84 1.457 -6.205 11.035 1.00 0.00 H new ATOM 1314 N PRO A 85 4.127 -4.513 14.091 1.00 0.00 N ATOM 1315 CA PRO A 85 4.560 -3.119 14.043 1.00 0.00 C ATOM 1316 C PRO A 85 6.036 -2.921 13.626 1.00 0.00 C ATOM 1317 O PRO A 85 6.482 -1.770 13.550 1.00 0.00 O ATOM 1318 CB PRO A 85 4.283 -2.566 15.443 1.00 0.00 C ATOM 1319 CG PRO A 85 4.378 -3.780 16.361 1.00 0.00 C ATOM 1320 CD PRO A 85 3.940 -4.941 15.473 1.00 0.00 C ATOM 0 HA PRO A 85 4.013 -2.586 13.266 1.00 0.00 H new ATOM 0 HB2 PRO A 85 5.010 -1.802 15.719 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.298 -2.103 15.499 1.00 0.00 H new ATOM 0 HG2 PRO A 85 5.392 -3.922 16.734 1.00 0.00 H new ATOM 0 HG3 PRO A 85 3.730 -3.675 17.231 1.00 0.00 H new ATOM 0 HD2 PRO A 85 4.531 -5.833 15.684 1.00 0.00 H new ATOM 0 HD3 PRO A 85 2.897 -5.198 15.660 1.00 0.00 H new ATOM 1328 N SER A 86 6.817 -3.994 13.425 1.00 0.00 N ATOM 1329 CA SER A 86 8.224 -3.909 13.040 1.00 0.00 C ATOM 1330 C SER A 86 8.371 -3.178 11.703 1.00 0.00 C ATOM 1331 O SER A 86 8.985 -2.112 11.638 1.00 0.00 O ATOM 1332 CB SER A 86 8.866 -5.306 12.974 1.00 0.00 C ATOM 1333 OG SER A 86 8.442 -6.140 14.032 1.00 0.00 O ATOM 0 H SER A 86 6.481 -4.952 13.528 1.00 0.00 H new ATOM 0 HA SER A 86 8.750 -3.337 13.804 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.615 -5.774 12.022 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.951 -5.207 13.005 1.00 0.00 H new ATOM 0 HG SER A 86 8.872 -7.017 13.950 1.00 0.00 H new ATOM 1339 N MET A 87 7.813 -3.743 10.632 1.00 0.00 N ATOM 1340 CA MET A 87 7.907 -3.204 9.287 1.00 0.00 C ATOM 1341 C MET A 87 7.000 -1.973 9.159 1.00 0.00 C ATOM 1342 O MET A 87 7.474 -0.831 9.161 1.00 0.00 O ATOM 1343 CB MET A 87 7.577 -4.312 8.270 1.00 0.00 C ATOM 1344 CG MET A 87 8.692 -5.355 8.166 1.00 0.00 C ATOM 1345 SD MET A 87 8.853 -6.312 6.623 1.00 0.00 S ATOM 1346 CE MET A 87 7.312 -6.017 5.714 1.00 0.00 C ATOM 0 H MET A 87 7.273 -4.607 10.683 1.00 0.00 H new ATOM 0 HA MET A 87 8.922 -2.868 9.074 1.00 0.00 H new ATOM 0 HB2 MET A 87 6.648 -4.804 8.560 1.00 0.00 H new ATOM 0 HB3 MET A 87 7.408 -3.865 7.290 1.00 0.00 H new ATOM 0 HG2 MET A 87 9.639 -4.845 8.339 1.00 0.00 H new ATOM 0 HG3 MET A 87 8.558 -6.064 8.983 1.00 0.00 H new ATOM 0 HE1 MET A 87 7.265 -6.683 4.852 1.00 0.00 H new ATOM 0 HE2 MET A 87 6.461 -6.209 6.368 1.00 0.00 H new ATOM 0 HE3 MET A 87 7.282 -4.982 5.375 1.00 0.00 H new ATOM 1356 N TYR A 88 5.696 -2.203 9.016 1.00 0.00 N ATOM 1357 CA TYR A 88 4.676 -1.163 8.913 1.00 0.00 C ATOM 1358 C TYR A 88 4.035 -0.958 10.288 1.00 0.00 C ATOM 1359 O TYR A 88 4.440 -1.609 11.244 1.00 0.00 O ATOM 1360 CB TYR A 88 3.679 -1.567 7.818 1.00 0.00 C ATOM 1361 CG TYR A 88 4.304 -1.647 6.437 1.00 0.00 C ATOM 1362 CD1 TYR A 88 4.472 -0.484 5.662 1.00 0.00 C ATOM 1363 CD2 TYR A 88 4.727 -2.889 5.930 1.00 0.00 C ATOM 1364 CE1 TYR A 88 5.043 -0.569 4.380 1.00 0.00 C ATOM 1365 CE2 TYR A 88 5.325 -2.981 4.664 1.00 0.00 C ATOM 1366 CZ TYR A 88 5.479 -1.817 3.880 1.00 0.00 C ATOM 1367 OH TYR A 88 6.022 -1.892 2.639 1.00 0.00 O ATOM 0 H TYR A 88 5.310 -3.146 8.967 1.00 0.00 H new ATOM 0 HA TYR A 88 5.099 -0.202 8.621 1.00 0.00 H new ATOM 0 HB2 TYR A 88 3.246 -2.535 8.070 1.00 0.00 H new ATOM 0 HB3 TYR A 88 2.861 -0.847 7.798 1.00 0.00 H new ATOM 0 HD1 TYR A 88 4.162 0.474 6.052 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.590 -3.782 6.522 1.00 0.00 H new ATOM 0 HE1 TYR A 88 5.149 0.320 3.777 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.665 -3.936 4.292 1.00 0.00 H new ATOM 0 HH TYR A 88 6.303 -0.999 2.350 1.00 0.00 H new ATOM 1377 N GLN A 89 3.046 -0.068 10.424 1.00 0.00 N ATOM 1378 CA GLN A 89 2.307 0.130 11.681 1.00 0.00 C ATOM 1379 C GLN A 89 0.791 0.303 11.492 1.00 0.00 C ATOM 1380 O GLN A 89 0.068 0.264 12.485 1.00 0.00 O ATOM 1381 CB GLN A 89 2.933 1.311 12.456 1.00 0.00 C ATOM 1382 CG GLN A 89 3.875 0.827 13.574 1.00 0.00 C ATOM 1383 CD GLN A 89 5.083 1.742 13.738 1.00 0.00 C ATOM 1384 OE1 GLN A 89 5.030 2.773 14.406 1.00 0.00 O ATOM 1385 NE2 GLN A 89 6.195 1.392 13.109 1.00 0.00 N ATOM 0 H GLN A 89 2.733 0.538 9.665 1.00 0.00 H new ATOM 0 HA GLN A 89 2.404 -0.784 12.267 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.486 1.947 11.765 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.141 1.923 12.888 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.326 0.778 14.515 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.214 -0.184 13.350 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.221 0.533 12.559 1.00 0.00 H new ATOM 0 HE22 GLN A 89 7.025 1.981 13.174 1.00 0.00 H new ATOM 1394 N ARG A 90 0.315 0.403 10.241 1.00 0.00 N ATOM 1395 CA ARG A 90 -1.065 0.695 9.804 1.00 0.00 C ATOM 1396 C ARG A 90 -1.539 2.067 10.285 1.00 0.00 C ATOM 1397 O ARG A 90 -1.319 2.437 11.438 1.00 0.00 O ATOM 1398 CB ARG A 90 -1.997 -0.468 10.211 1.00 0.00 C ATOM 1399 CG ARG A 90 -3.512 -0.218 10.032 1.00 0.00 C ATOM 1400 CD ARG A 90 -4.292 0.009 11.336 1.00 0.00 C ATOM 1401 NE ARG A 90 -4.123 -1.082 12.305 1.00 0.00 N ATOM 1402 CZ ARG A 90 -4.814 -1.289 13.430 1.00 0.00 C ATOM 1403 NH1 ARG A 90 -5.703 -0.391 13.846 1.00 0.00 N ATOM 1404 NH2 ARG A 90 -4.612 -2.400 14.127 1.00 0.00 N ATOM 0 H ARG A 90 0.934 0.271 9.441 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.091 0.761 8.716 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.723 -1.348 9.628 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.810 -0.708 11.258 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.648 0.652 9.389 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.946 -1.071 9.510 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.965 0.944 11.790 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.351 0.121 11.104 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.392 -1.762 12.094 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.860 0.460 13.306 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.228 -0.553 14.705 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.933 -3.089 13.803 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.136 -2.565 14.987 1.00 0.00 H new ATOM 1418 N THR A 91 -2.163 2.874 9.422 1.00 0.00 N ATOM 1419 CA THR A 91 -2.751 4.148 9.840 1.00 0.00 C ATOM 1420 C THR A 91 -3.915 4.526 8.925 1.00 0.00 C ATOM 1421 O THR A 91 -3.958 4.107 7.772 1.00 0.00 O ATOM 1422 CB THR A 91 -1.663 5.244 9.831 1.00 0.00 C ATOM 1423 OG1 THR A 91 -0.480 4.822 10.494 1.00 0.00 O ATOM 1424 CG2 THR A 91 -2.059 6.515 10.585 1.00 0.00 C ATOM 0 H THR A 91 -2.274 2.667 8.429 1.00 0.00 H new ATOM 0 HA THR A 91 -3.143 4.049 10.852 1.00 0.00 H new ATOM 0 HB THR A 91 -1.519 5.438 8.768 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.705 4.143 11.164 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.244 7.237 10.534 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.953 6.944 10.131 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.263 6.271 11.628 1.00 0.00 H new ATOM 1432 N ALA A 92 -4.850 5.312 9.465 1.00 0.00 N ATOM 1433 CA ALA A 92 -5.981 5.976 8.821 1.00 0.00 C ATOM 1434 C ALA A 92 -5.599 7.327 8.191 1.00 0.00 C ATOM 1435 O ALA A 92 -5.048 8.189 8.878 1.00 0.00 O ATOM 1436 CB ALA A 92 -7.026 6.222 9.907 1.00 0.00 C ATOM 0 H ALA A 92 -4.829 5.518 10.464 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.348 5.341 8.015 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.893 6.718 9.472 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.332 5.270 10.340 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.599 6.854 10.686 1.00 0.00 H new ATOM 1442 N LEU A 93 -5.908 7.528 6.905 1.00 0.00 N ATOM 1443 CA LEU A 93 -5.408 8.597 6.042 1.00 0.00 C ATOM 1444 C LEU A 93 -6.299 8.818 4.824 1.00 0.00 C ATOM 1445 O LEU A 93 -7.185 8.002 4.547 1.00 0.00 O ATOM 1446 CB LEU A 93 -4.002 8.272 5.529 1.00 0.00 C ATOM 1447 CG LEU A 93 -3.745 7.108 4.598 1.00 0.00 C ATOM 1448 CD1 LEU A 93 -2.389 7.366 3.989 1.00 0.00 C ATOM 1449 CD2 LEU A 93 -3.917 5.788 5.332 1.00 0.00 C ATOM 0 H LEU A 93 -6.553 6.910 6.412 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.399 9.498 6.655 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.635 9.166 5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.373 8.120 6.406 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.466 7.023 3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.139 6.558 3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.408 8.311 3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.639 7.416 4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.728 4.963 4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.212 5.739 6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.935 5.715 5.716 1.00 0.00 H new ATOM 1461 N GLN A 94 -6.044 9.906 4.084 1.00 0.00 N ATOM 1462 CA GLN A 94 -7.017 10.429 3.138 1.00 0.00 C ATOM 1463 C GLN A 94 -6.824 9.926 1.707 1.00 0.00 C ATOM 1464 O GLN A 94 -5.725 10.008 1.149 1.00 0.00 O ATOM 1465 CB GLN A 94 -7.014 11.967 3.190 1.00 0.00 C ATOM 1466 CG GLN A 94 -8.206 12.653 2.501 1.00 0.00 C ATOM 1467 CD GLN A 94 -9.431 12.795 3.405 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -9.540 13.750 4.167 1.00 0.00 O ATOM 1469 NE2 GLN A 94 -10.375 11.870 3.361 1.00 0.00 N ATOM 0 H GLN A 94 -5.172 10.434 4.128 1.00 0.00 H new ATOM 0 HA GLN A 94 -7.991 10.049 3.446 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.992 12.278 4.234 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.094 12.327 2.730 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -7.899 13.642 2.160 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -8.482 12.081 1.615 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -10.282 11.077 2.727 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -11.196 11.950 3.961 1.00 0.00 H new ATOM 1478 N VAL A 95 -7.921 9.463 1.098 1.00 0.00 N ATOM 1479 CA VAL A 95 -7.949 8.886 -0.239 1.00 0.00 C ATOM 1480 C VAL A 95 -9.160 9.489 -0.972 1.00 0.00 C ATOM 1481 O VAL A 95 -10.295 9.347 -0.511 1.00 0.00 O ATOM 1482 CB VAL A 95 -7.984 7.346 -0.097 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -7.874 6.633 -1.448 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -6.829 6.825 0.783 1.00 0.00 C ATOM 0 H VAL A 95 -8.840 9.483 1.541 1.00 0.00 H new ATOM 0 HA VAL A 95 -7.066 9.118 -0.835 1.00 0.00 H new ATOM 0 HB VAL A 95 -8.947 7.126 0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.903 5.554 -1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.706 6.931 -2.086 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -6.934 6.905 -1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.890 5.739 0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -5.876 7.105 0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.905 7.262 1.779 1.00 0.00 H new ATOM 1494 N GLN A 96 -8.954 10.190 -2.094 1.00 0.00 N ATOM 1495 CA GLN A 96 -10.021 10.595 -2.992 1.00 0.00 C ATOM 1496 C GLN A 96 -10.554 9.311 -3.606 1.00 0.00 C ATOM 1497 O GLN A 96 -9.794 8.381 -3.895 1.00 0.00 O ATOM 1498 CB GLN A 96 -9.506 11.560 -4.082 1.00 0.00 C ATOM 1499 CG GLN A 96 -10.497 11.752 -5.237 1.00 0.00 C ATOM 1500 CD GLN A 96 -10.066 12.655 -6.390 1.00 0.00 C ATOM 1501 OE1 GLN A 96 -8.889 12.902 -6.644 1.00 0.00 O ATOM 1502 NE2 GLN A 96 -11.030 13.081 -7.188 1.00 0.00 N ATOM 0 H GLN A 96 -8.028 10.491 -2.399 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.801 11.137 -2.458 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.293 12.529 -3.630 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.565 11.180 -4.479 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.730 10.770 -5.648 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -11.423 12.152 -4.824 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -12.004 12.871 -6.969 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -10.800 13.620 -8.023 1.00 0.00 H new ATOM 1511 N VAL A 97 -11.859 9.264 -3.811 1.00 0.00 N ATOM 1512 CA VAL A 97 -12.543 8.152 -4.453 1.00 0.00 C ATOM 1513 C VAL A 97 -12.572 8.491 -5.945 1.00 0.00 C ATOM 1514 O VAL A 97 -12.961 9.594 -6.340 1.00 0.00 O ATOM 1515 CB VAL A 97 -13.921 7.985 -3.782 1.00 0.00 C ATOM 1516 CG1 VAL A 97 -14.651 9.275 -3.654 1.00 0.00 C ATOM 1517 CG2 VAL A 97 -14.788 6.880 -4.370 1.00 0.00 C ATOM 0 H VAL A 97 -12.488 10.016 -3.529 1.00 0.00 H new ATOM 0 HA VAL A 97 -12.055 7.184 -4.344 1.00 0.00 H new ATOM 0 HB VAL A 97 -13.693 7.642 -2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -15.615 9.102 -3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -14.065 9.966 -3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -14.809 9.703 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -15.736 6.838 -3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -14.975 7.086 -5.424 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -14.274 5.924 -4.273 1.00 0.00 H new ATOM 1527 N LEU A 98 -12.085 7.585 -6.787 1.00 0.00 N ATOM 1528 CA LEU A 98 -12.089 7.751 -8.240 1.00 0.00 C ATOM 1529 C LEU A 98 -13.309 7.096 -8.878 1.00 0.00 C ATOM 1530 O LEU A 98 -13.554 7.302 -10.065 1.00 0.00 O ATOM 1531 CB LEU A 98 -10.822 7.134 -8.862 1.00 0.00 C ATOM 1532 CG LEU A 98 -9.968 8.189 -9.579 1.00 0.00 C ATOM 1533 CD1 LEU A 98 -8.848 8.613 -8.638 1.00 0.00 C ATOM 1534 CD2 LEU A 98 -9.390 7.635 -10.876 1.00 0.00 C ATOM 0 H LEU A 98 -11.672 6.705 -6.478 1.00 0.00 H new ATOM 0 HA LEU A 98 -12.117 8.823 -8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.230 6.656 -8.082 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.106 6.355 -9.569 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.588 9.047 -9.839 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.227 9.364 -9.127 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.277 9.033 -7.728 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.238 7.746 -8.385 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.789 8.403 -11.364 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.764 6.770 -10.655 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.203 7.335 -11.538 1.00 0.00 H new ATOM 1546 N GLU A 99 -13.993 6.248 -8.118 1.00 0.00 N ATOM 1547 CA GLU A 99 -15.121 5.416 -8.484 1.00 0.00 C ATOM 1548 C GLU A 99 -15.517 4.761 -7.180 1.00 0.00 C ATOM 1549 O GLU A 99 -14.637 4.346 -6.422 1.00 0.00 O ATOM 1550 CB GLU A 99 -14.635 4.354 -9.475 1.00 0.00 C ATOM 1551 CG GLU A 99 -15.672 3.405 -10.075 1.00 0.00 C ATOM 1552 CD GLU A 99 -14.955 2.503 -11.083 1.00 0.00 C ATOM 1553 OE1 GLU A 99 -14.334 3.035 -12.036 1.00 0.00 O ATOM 1554 OE2 GLU A 99 -14.866 1.276 -10.871 1.00 0.00 O ATOM 0 H GLU A 99 -13.743 6.118 -7.138 1.00 0.00 H new ATOM 0 HA GLU A 99 -15.944 5.961 -8.946 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -14.137 4.868 -10.297 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -13.880 3.749 -8.973 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -16.140 2.807 -9.293 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -16.467 3.968 -10.564 1.00 0.00 H new ATOM 1561 N TRP A 100 -16.808 4.630 -6.941 1.00 0.00 N ATOM 1562 CA TRP A 100 -17.332 3.875 -5.824 1.00 0.00 C ATOM 1563 C TRP A 100 -18.302 2.858 -6.396 1.00 0.00 C ATOM 1564 O TRP A 100 -19.053 3.176 -7.326 1.00 0.00 O ATOM 1565 CB TRP A 100 -17.995 4.801 -4.801 1.00 0.00 C ATOM 1566 CG TRP A 100 -18.301 4.099 -3.509 1.00 0.00 C ATOM 1567 CD1 TRP A 100 -19.505 3.632 -3.110 1.00 0.00 C ATOM 1568 CD2 TRP A 100 -17.359 3.682 -2.475 1.00 0.00 C ATOM 1569 NE1 TRP A 100 -19.360 2.885 -1.958 1.00 0.00 N ATOM 1570 CE2 TRP A 100 -18.054 2.888 -1.516 1.00 0.00 C ATOM 1571 CE3 TRP A 100 -15.977 3.875 -2.266 1.00 0.00 C ATOM 1572 CZ2 TRP A 100 -17.401 2.291 -0.425 1.00 0.00 C ATOM 1573 CZ3 TRP A 100 -15.319 3.305 -1.161 1.00 0.00 C ATOM 1574 CH2 TRP A 100 -16.025 2.504 -0.247 1.00 0.00 C ATOM 0 H TRP A 100 -17.530 5.051 -7.526 1.00 0.00 H new ATOM 0 HA TRP A 100 -16.535 3.363 -5.284 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -17.340 5.649 -4.604 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -18.917 5.202 -5.221 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -20.441 3.816 -3.617 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -20.123 2.393 -1.493 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -15.413 4.472 -2.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -17.952 1.674 0.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -14.264 3.484 -1.014 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -15.511 2.054 0.589 1.00 0.00 H new ATOM 1585 N GLU A 101 -18.264 1.645 -5.858 1.00 0.00 N ATOM 1586 CA GLU A 101 -19.144 0.566 -6.260 1.00 0.00 C ATOM 1587 C GLU A 101 -20.150 0.277 -5.154 1.00 0.00 C ATOM 1588 O GLU A 101 -19.772 -0.230 -4.101 1.00 0.00 O ATOM 1589 CB GLU A 101 -18.302 -0.674 -6.605 1.00 0.00 C ATOM 1590 CG GLU A 101 -17.611 -0.536 -7.968 1.00 0.00 C ATOM 1591 CD GLU A 101 -18.657 -0.438 -9.082 1.00 0.00 C ATOM 1592 OE1 GLU A 101 -19.246 -1.488 -9.434 1.00 0.00 O ATOM 1593 OE2 GLU A 101 -19.028 0.675 -9.513 1.00 0.00 O ATOM 0 H GLU A 101 -17.610 1.384 -5.120 1.00 0.00 H new ATOM 0 HA GLU A 101 -19.707 0.853 -7.148 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -17.550 -0.829 -5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -18.941 -1.557 -6.610 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.977 0.351 -7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.961 -1.393 -8.143 1.00 0.00 H new ATOM 1600 N GLY A 102 -21.434 0.525 -5.411 1.00 0.00 N ATOM 1601 CA GLY A 102 -22.506 0.078 -4.533 1.00 0.00 C ATOM 1602 C GLY A 102 -22.726 1.032 -3.365 1.00 0.00 C ATOM 1603 O GLY A 102 -22.338 2.201 -3.403 1.00 0.00 O ATOM 0 H GLY A 102 -21.756 1.039 -6.231 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -23.429 -0.012 -5.106 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -22.270 -0.915 -4.150 1.00 0.00 H new ATOM 1607 N ASP A 103 -23.457 0.548 -2.366 1.00 0.00 N ATOM 1608 CA ASP A 103 -23.870 1.315 -1.193 1.00 0.00 C ATOM 1609 C ASP A 103 -22.664 1.743 -0.349 1.00 0.00 C ATOM 1610 O ASP A 103 -21.565 1.188 -0.485 1.00 0.00 O ATOM 1611 CB ASP A 103 -24.836 0.479 -0.345 1.00 0.00 C ATOM 1612 CG ASP A 103 -25.988 1.300 0.232 1.00 0.00 C ATOM 1613 OD1 ASP A 103 -25.783 2.477 0.613 1.00 0.00 O ATOM 1614 OD2 ASP A 103 -27.101 0.726 0.295 1.00 0.00 O ATOM 0 H ASP A 103 -23.789 -0.416 -2.348 1.00 0.00 H new ATOM 0 HA ASP A 103 -24.372 2.219 -1.537 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -25.242 -0.327 -0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -24.284 0.014 0.472 1.00 0.00 H new ATOM 1619 N GLY A 104 -22.879 2.657 0.594 1.00 0.00 N ATOM 1620 CA GLY A 104 -21.854 3.058 1.550 1.00 0.00 C ATOM 1621 C GLY A 104 -20.829 4.005 0.935 1.00 0.00 C ATOM 1622 O GLY A 104 -19.631 3.774 1.054 1.00 0.00 O ATOM 0 H GLY A 104 -23.769 3.140 0.716 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -22.327 3.543 2.404 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -21.345 2.171 1.928 1.00 0.00 H new ATOM 1626 N ASP A 105 -21.319 5.142 0.448 1.00 0.00 N ATOM 1627 CA ASP A 105 -20.699 6.161 -0.400 1.00 0.00 C ATOM 1628 C ASP A 105 -20.272 7.374 0.436 1.00 0.00 C ATOM 1629 O ASP A 105 -21.107 8.217 0.778 1.00 0.00 O ATOM 1630 CB ASP A 105 -21.658 6.587 -1.512 1.00 0.00 C ATOM 1631 CG ASP A 105 -21.247 7.917 -2.141 1.00 0.00 C ATOM 1632 OD1 ASP A 105 -20.073 8.104 -2.524 1.00 0.00 O ATOM 1633 OD2 ASP A 105 -22.106 8.831 -2.124 1.00 0.00 O ATOM 0 H ASP A 105 -22.280 5.404 0.665 1.00 0.00 H new ATOM 0 HA ASP A 105 -19.808 5.731 -0.858 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -21.687 5.815 -2.281 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -22.667 6.673 -1.108 1.00 0.00 H new ATOM 1638 N PRO A 106 -19.039 7.366 0.973 1.00 0.00 N ATOM 1639 CA PRO A 106 -18.555 8.361 1.925 1.00 0.00 C ATOM 1640 C PRO A 106 -18.538 9.798 1.383 1.00 0.00 C ATOM 1641 O PRO A 106 -18.410 10.724 2.191 1.00 0.00 O ATOM 1642 CB PRO A 106 -17.137 7.903 2.280 1.00 0.00 C ATOM 1643 CG PRO A 106 -16.671 7.208 1.001 1.00 0.00 C ATOM 1644 CD PRO A 106 -17.937 6.541 0.496 1.00 0.00 C ATOM 0 HA PRO A 106 -19.226 8.411 2.783 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -16.494 8.744 2.540 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -17.134 7.224 3.133 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -16.273 7.919 0.277 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -15.883 6.481 1.200 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -17.938 6.478 -0.592 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -18.019 5.522 0.874 1.00 0.00 H new ATOM 1652 N GLY A 107 -18.665 9.987 0.064 1.00 0.00 N ATOM 1653 CA GLY A 107 -18.376 11.243 -0.609 1.00 0.00 C ATOM 1654 C GLY A 107 -16.942 11.208 -1.145 1.00 0.00 C ATOM 1655 O GLY A 107 -16.211 10.226 -0.977 1.00 0.00 O ATOM 0 H GLY A 107 -18.978 9.252 -0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -19.079 11.401 -1.427 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -18.498 12.077 0.083 1.00 0.00 H new ATOM 1659 N ASP A 108 -16.551 12.266 -1.861 1.00 0.00 N ATOM 1660 CA ASP A 108 -15.379 12.240 -2.742 1.00 0.00 C ATOM 1661 C ASP A 108 -14.040 12.164 -2.031 1.00 0.00 C ATOM 1662 O ASP A 108 -13.005 12.129 -2.716 1.00 0.00 O ATOM 1663 CB ASP A 108 -15.282 13.499 -3.600 1.00 0.00 C ATOM 1664 CG ASP A 108 -16.428 13.698 -4.591 1.00 0.00 C ATOM 1665 OD1 ASP A 108 -17.434 14.344 -4.232 1.00 0.00 O ATOM 1666 OD2 ASP A 108 -16.271 13.260 -5.756 1.00 0.00 O ATOM 0 H ASP A 108 -17.036 13.163 -1.847 1.00 0.00 H new ATOM 0 HA ASP A 108 -15.547 11.333 -3.323 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -15.237 14.366 -2.941 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -14.344 13.471 -4.154 1.00 0.00 H new ATOM 1671 N SER A 109 -13.990 12.108 -0.706 1.00 0.00 N ATOM 1672 CA SER A 109 -12.879 11.426 -0.125 1.00 0.00 C ATOM 1673 C SER A 109 -13.304 10.551 1.042 1.00 0.00 C ATOM 1674 O SER A 109 -14.190 10.878 1.833 1.00 0.00 O ATOM 1675 CB SER A 109 -11.777 12.406 0.232 1.00 0.00 C ATOM 1676 OG SER A 109 -12.188 13.449 1.099 1.00 0.00 O ATOM 0 H SER A 109 -14.670 12.506 -0.059 1.00 0.00 H new ATOM 0 HA SER A 109 -12.466 10.744 -0.868 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.958 11.860 0.701 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.384 12.844 -0.685 1.00 0.00 H new ATOM 0 HG SER A 109 -11.427 14.038 1.286 1.00 0.00 H new ATOM 1682 N VAL A 110 -12.594 9.442 1.178 1.00 0.00 N ATOM 1683 CA VAL A 110 -12.718 8.532 2.293 1.00 0.00 C ATOM 1684 C VAL A 110 -11.454 8.617 3.150 1.00 0.00 C ATOM 1685 O VAL A 110 -10.391 9.071 2.699 1.00 0.00 O ATOM 1686 CB VAL A 110 -13.041 7.140 1.727 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -11.802 6.415 1.209 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -13.777 6.296 2.757 1.00 0.00 C ATOM 0 H VAL A 110 -11.898 9.147 0.494 1.00 0.00 H new ATOM 0 HA VAL A 110 -13.535 8.788 2.968 1.00 0.00 H new ATOM 0 HB VAL A 110 -13.696 7.291 0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -12.088 5.437 0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -11.344 7.001 0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -11.088 6.288 2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -13.995 5.315 2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -13.154 6.179 3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -14.710 6.789 3.032 1.00 0.00 H new ATOM 1698 N GLN A 111 -11.577 8.180 4.400 1.00 0.00 N ATOM 1699 CA GLN A 111 -10.461 7.724 5.199 1.00 0.00 C ATOM 1700 C GLN A 111 -10.347 6.227 4.906 1.00 0.00 C ATOM 1701 O GLN A 111 -11.231 5.465 5.289 1.00 0.00 O ATOM 1702 CB GLN A 111 -10.733 8.057 6.680 1.00 0.00 C ATOM 1703 CG GLN A 111 -9.678 7.547 7.672 1.00 0.00 C ATOM 1704 CD GLN A 111 -10.083 6.271 8.422 1.00 0.00 C ATOM 1705 OE1 GLN A 111 -9.847 5.101 7.854 1.00 0.00 O flip ATOM 1706 NE2 GLN A 111 -10.531 6.312 9.566 1.00 0.00 N flip ATOM 0 H GLN A 111 -12.472 8.135 4.887 1.00 0.00 H new ATOM 0 HA GLN A 111 -9.514 8.209 4.964 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -10.812 9.139 6.783 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -11.701 7.639 6.957 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -8.750 7.359 7.133 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -9.470 8.332 8.399 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -10.715 7.212 10.010 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -10.719 5.446 10.072 1.00 0.00 H new ATOM 1715 N CYS A 112 -9.272 5.788 4.252 1.00 0.00 N ATOM 1716 CA CYS A 112 -8.914 4.368 4.206 1.00 0.00 C ATOM 1717 C CYS A 112 -7.814 4.130 5.237 1.00 0.00 C ATOM 1718 O CYS A 112 -7.268 5.074 5.814 1.00 0.00 O ATOM 1719 CB CYS A 112 -8.425 3.942 2.811 1.00 0.00 C ATOM 1720 SG CYS A 112 -9.835 3.594 1.721 1.00 0.00 S ATOM 0 H CYS A 112 -8.631 6.397 3.744 1.00 0.00 H new ATOM 0 HA CYS A 112 -9.798 3.771 4.429 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -7.810 4.731 2.378 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -7.795 3.056 2.895 1.00 0.00 H new ATOM 0 HG CYS A 112 -9.694 2.415 1.192 1.00 0.00 H new ATOM 1726 N PHE A 113 -7.482 2.863 5.463 1.00 0.00 N ATOM 1727 CA PHE A 113 -6.236 2.472 6.099 1.00 0.00 C ATOM 1728 C PHE A 113 -5.195 2.263 4.986 1.00 0.00 C ATOM 1729 O PHE A 113 -5.535 1.787 3.901 1.00 0.00 O ATOM 1730 CB PHE A 113 -6.485 1.216 6.944 1.00 0.00 C ATOM 1731 CG PHE A 113 -7.561 1.306 8.016 1.00 0.00 C ATOM 1732 CD1 PHE A 113 -7.755 2.489 8.760 1.00 0.00 C ATOM 1733 CD2 PHE A 113 -8.303 0.156 8.343 1.00 0.00 C ATOM 1734 CE1 PHE A 113 -8.655 2.513 9.843 1.00 0.00 C ATOM 1735 CE2 PHE A 113 -9.151 0.167 9.467 1.00 0.00 C ATOM 1736 CZ PHE A 113 -9.337 1.343 10.211 1.00 0.00 C ATOM 0 H PHE A 113 -8.077 2.075 5.207 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.854 3.234 6.778 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -6.746 0.401 6.270 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -5.547 0.942 7.428 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.209 3.383 8.497 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.222 -0.732 7.734 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -8.820 3.430 10.389 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -9.663 -0.738 9.760 1.00 0.00 H new ATOM 0 HZ PHE A 113 -10.002 1.347 11.062 1.00 0.00 H new ATOM 1746 N VAL A 114 -3.938 2.638 5.210 1.00 0.00 N ATOM 1747 CA VAL A 114 -2.803 2.377 4.321 1.00 0.00 C ATOM 1748 C VAL A 114 -1.731 1.779 5.227 1.00 0.00 C ATOM 1749 O VAL A 114 -1.625 2.130 6.409 1.00 0.00 O ATOM 1750 CB VAL A 114 -2.335 3.646 3.544 1.00 0.00 C ATOM 1751 CG1 VAL A 114 -1.007 3.439 2.793 1.00 0.00 C ATOM 1752 CG2 VAL A 114 -3.340 4.111 2.493 1.00 0.00 C ATOM 0 H VAL A 114 -3.669 3.153 6.049 1.00 0.00 H new ATOM 0 HA VAL A 114 -3.064 1.690 3.516 1.00 0.00 H new ATOM 0 HB VAL A 114 -2.224 4.392 4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -0.736 4.358 2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -0.223 3.180 3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -1.120 2.632 2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.955 4.997 1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -3.497 3.317 1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -4.287 4.351 2.976 1.00 0.00 H new ATOM 1762 N TYR A 115 -0.958 0.820 4.721 1.00 0.00 N ATOM 1763 CA TYR A 115 0.240 0.385 5.417 1.00 0.00 C ATOM 1764 C TYR A 115 1.266 1.492 5.330 1.00 0.00 C ATOM 1765 O TYR A 115 1.991 1.617 4.343 1.00 0.00 O ATOM 1766 CB TYR A 115 0.793 -0.943 4.902 1.00 0.00 C ATOM 1767 CG TYR A 115 0.185 -2.116 5.626 1.00 0.00 C ATOM 1768 CD1 TYR A 115 0.316 -2.232 7.026 1.00 0.00 C ATOM 1769 CD2 TYR A 115 -0.518 -3.086 4.901 1.00 0.00 C ATOM 1770 CE1 TYR A 115 -0.231 -3.329 7.701 1.00 0.00 C ATOM 1771 CE2 TYR A 115 -1.087 -4.175 5.568 1.00 0.00 C ATOM 1772 CZ TYR A 115 -0.919 -4.306 6.963 1.00 0.00 C ATOM 1773 OH TYR A 115 -1.532 -5.301 7.630 1.00 0.00 O ATOM 0 H TYR A 115 -1.141 0.337 3.841 1.00 0.00 H new ATOM 0 HA TYR A 115 -0.017 0.191 6.458 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.594 -1.031 3.834 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.876 -0.960 5.026 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.842 -1.469 7.580 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -0.620 -2.993 3.830 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.126 -3.423 8.772 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -1.653 -4.913 5.018 1.00 0.00 H new ATOM 0 HH TYR A 115 -2.492 -5.284 7.434 1.00 0.00 H new ATOM 1783 N THR A 116 1.300 2.301 6.380 1.00 0.00 N ATOM 1784 CA THR A 116 2.329 3.291 6.556 1.00 0.00 C ATOM 1785 C THR A 116 3.236 2.863 7.701 1.00 0.00 C ATOM 1786 O THR A 116 2.981 1.868 8.391 1.00 0.00 O ATOM 1787 CB THR A 116 1.700 4.685 6.708 1.00 0.00 C ATOM 1788 OG1 THR A 116 0.863 4.772 7.833 1.00 0.00 O ATOM 1789 CG2 THR A 116 0.805 5.004 5.518 1.00 0.00 C ATOM 0 H THR A 116 0.609 2.281 7.130 1.00 0.00 H new ATOM 0 HA THR A 116 2.967 3.366 5.676 1.00 0.00 H new ATOM 0 HB THR A 116 2.540 5.374 6.794 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.614 5.708 7.984 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.370 5.995 5.646 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.396 4.982 4.602 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.008 4.263 5.453 1.00 0.00 H new ATOM 1797 N THR A 117 4.312 3.610 7.892 1.00 0.00 N ATOM 1798 CA THR A 117 5.254 3.441 8.974 1.00 0.00 C ATOM 1799 C THR A 117 5.641 4.866 9.364 1.00 0.00 C ATOM 1800 O THR A 117 6.027 5.668 8.508 1.00 0.00 O ATOM 1801 CB THR A 117 6.392 2.507 8.510 1.00 0.00 C ATOM 1802 OG1 THR A 117 7.191 2.117 9.604 1.00 0.00 O ATOM 1803 CG2 THR A 117 7.269 3.062 7.382 1.00 0.00 C ATOM 0 H THR A 117 4.558 4.380 7.270 1.00 0.00 H new ATOM 0 HA THR A 117 4.874 2.942 9.865 1.00 0.00 H new ATOM 0 HB THR A 117 5.888 1.640 8.082 1.00 0.00 H new ATOM 0 HG1 THR A 117 7.364 1.154 9.555 1.00 0.00 H new ATOM 0 HG21 THR A 117 8.038 2.333 7.127 1.00 0.00 H new ATOM 0 HG22 THR A 117 6.652 3.260 6.505 1.00 0.00 H new ATOM 0 HG23 THR A 117 7.741 3.988 7.710 1.00 0.00 H new ATOM 1811 N ALA A 118 5.416 5.226 10.629 1.00 0.00 N ATOM 1812 CA ALA A 118 5.694 6.561 11.144 1.00 0.00 C ATOM 1813 C ALA A 118 7.093 6.644 11.760 1.00 0.00 C ATOM 1814 O ALA A 118 7.466 7.668 12.320 1.00 0.00 O ATOM 1815 CB ALA A 118 4.599 6.975 12.135 1.00 0.00 C ATOM 0 H ALA A 118 5.032 4.591 11.328 1.00 0.00 H new ATOM 0 HA ALA A 118 5.683 7.267 10.314 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.812 7.974 12.517 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.633 6.978 11.630 1.00 0.00 H new ATOM 0 HB3 ALA A 118 4.572 6.268 12.964 1.00 0.00 H new ATOM 1821 N THR A 119 7.877 5.573 11.662 1.00 0.00 N ATOM 1822 CA THR A 119 9.156 5.411 12.330 1.00 0.00 C ATOM 1823 C THR A 119 10.228 5.247 11.256 1.00 0.00 C ATOM 1824 O THR A 119 11.057 4.337 11.297 1.00 0.00 O ATOM 1825 CB THR A 119 9.015 4.264 13.348 1.00 0.00 C ATOM 1826 OG1 THR A 119 8.561 3.059 12.757 1.00 0.00 O ATOM 1827 CG2 THR A 119 7.952 4.648 14.377 1.00 0.00 C ATOM 0 H THR A 119 7.625 4.766 11.092 1.00 0.00 H new ATOM 0 HA THR A 119 9.471 6.274 12.916 1.00 0.00 H new ATOM 0 HB THR A 119 10.003 4.108 13.781 1.00 0.00 H new ATOM 0 HG1 THR A 119 8.923 2.295 13.253 1.00 0.00 H new ATOM 0 HG21 THR A 119 7.842 3.844 15.104 1.00 0.00 H new ATOM 0 HG22 THR A 119 8.255 5.561 14.889 1.00 0.00 H new ATOM 0 HG23 THR A 119 7.000 4.813 13.872 1.00 0.00 H new ATOM 1835 N TYR A 120 10.137 6.076 10.218 1.00 0.00 N ATOM 1836 CA TYR A 120 10.990 5.983 9.050 1.00 0.00 C ATOM 1837 C TYR A 120 12.369 6.588 9.343 1.00 0.00 C ATOM 1838 O TYR A 120 12.572 7.210 10.391 1.00 0.00 O ATOM 1839 CB TYR A 120 10.290 6.656 7.861 1.00 0.00 C ATOM 1840 CG TYR A 120 9.879 8.092 8.145 1.00 0.00 C ATOM 1841 CD1 TYR A 120 10.804 9.133 7.959 1.00 0.00 C ATOM 1842 CD2 TYR A 120 8.624 8.377 8.715 1.00 0.00 C ATOM 1843 CE1 TYR A 120 10.514 10.427 8.429 1.00 0.00 C ATOM 1844 CE2 TYR A 120 8.326 9.677 9.164 1.00 0.00 C ATOM 1845 CZ TYR A 120 9.275 10.713 9.040 1.00 0.00 C ATOM 1846 OH TYR A 120 8.968 11.977 9.460 1.00 0.00 O ATOM 0 H TYR A 120 9.460 6.837 10.170 1.00 0.00 H new ATOM 0 HA TYR A 120 11.160 4.938 8.791 1.00 0.00 H new ATOM 0 HB2 TYR A 120 10.956 6.639 6.998 1.00 0.00 H new ATOM 0 HB3 TYR A 120 9.406 6.078 7.593 1.00 0.00 H new ATOM 0 HD1 TYR A 120 11.739 8.940 7.454 1.00 0.00 H new ATOM 0 HD2 TYR A 120 7.886 7.594 8.808 1.00 0.00 H new ATOM 0 HE1 TYR A 120 11.249 11.211 8.321 1.00 0.00 H new ATOM 0 HE2 TYR A 120 7.363 9.883 9.607 1.00 0.00 H new ATOM 0 HH TYR A 120 8.071 11.982 9.855 1.00 0.00 H new ATOM 1856 N ALA A 121 13.314 6.407 8.417 1.00 0.00 N ATOM 1857 CA ALA A 121 14.690 6.861 8.563 1.00 0.00 C ATOM 1858 C ALA A 121 14.914 8.151 7.756 1.00 0.00 C ATOM 1859 O ALA A 121 14.310 8.320 6.696 1.00 0.00 O ATOM 1860 CB ALA A 121 15.628 5.737 8.103 1.00 0.00 C ATOM 0 H ALA A 121 13.137 5.932 7.532 1.00 0.00 H new ATOM 0 HA ALA A 121 14.902 7.093 9.607 1.00 0.00 H new ATOM 0 HB1 ALA A 121 16.663 6.062 8.206 1.00 0.00 H new ATOM 0 HB2 ALA A 121 15.463 4.851 8.716 1.00 0.00 H new ATOM 0 HB3 ALA A 121 15.425 5.498 7.059 1.00 0.00 H new ATOM 1866 N PRO A 122 15.839 9.030 8.174 1.00 0.00 N ATOM 1867 CA PRO A 122 16.108 10.287 7.483 1.00 0.00 C ATOM 1868 C PRO A 122 16.700 10.033 6.101 1.00 0.00 C ATOM 1869 O PRO A 122 16.347 10.712 5.136 1.00 0.00 O ATOM 1870 CB PRO A 122 17.084 11.050 8.382 1.00 0.00 C ATOM 1871 CG PRO A 122 17.775 9.942 9.170 1.00 0.00 C ATOM 1872 CD PRO A 122 16.698 8.882 9.331 1.00 0.00 C ATOM 0 HA PRO A 122 15.196 10.861 7.316 1.00 0.00 H new ATOM 0 HB2 PRO A 122 17.797 11.633 7.798 1.00 0.00 H new ATOM 0 HB3 PRO A 122 16.564 11.747 9.039 1.00 0.00 H new ATOM 0 HG2 PRO A 122 18.642 9.553 8.636 1.00 0.00 H new ATOM 0 HG3 PRO A 122 18.130 10.301 10.136 1.00 0.00 H new ATOM 0 HD2 PRO A 122 17.132 7.883 9.373 1.00 0.00 H new ATOM 0 HD3 PRO A 122 16.140 9.026 10.256 1.00 0.00 H new ATOM 1880 N GLU A 123 17.549 9.012 6.003 1.00 0.00 N ATOM 1881 CA GLU A 123 18.154 8.527 4.779 1.00 0.00 C ATOM 1882 C GLU A 123 17.162 7.817 3.858 1.00 0.00 C ATOM 1883 O GLU A 123 17.550 7.374 2.775 1.00 0.00 O ATOM 1884 CB GLU A 123 19.339 7.617 5.142 1.00 0.00 C ATOM 1885 CG GLU A 123 19.001 6.434 6.072 1.00 0.00 C ATOM 1886 CD GLU A 123 19.934 6.388 7.288 1.00 0.00 C ATOM 1887 OE1 GLU A 123 21.150 6.164 7.097 1.00 0.00 O ATOM 1888 OE2 GLU A 123 19.457 6.650 8.420 1.00 0.00 O ATOM 0 H GLU A 123 17.844 8.478 6.821 1.00 0.00 H new ATOM 0 HA GLU A 123 18.506 9.387 4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 123 19.768 7.223 4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 123 20.109 8.224 5.618 1.00 0.00 H new ATOM 0 HG2 GLU A 123 17.968 6.519 6.408 1.00 0.00 H new ATOM 0 HG3 GLU A 123 19.080 5.500 5.516 1.00 0.00 H new ATOM 1895 N TRP A 124 15.891 7.699 4.248 1.00 0.00 N ATOM 1896 CA TRP A 124 14.833 7.257 3.358 1.00 0.00 C ATOM 1897 C TRP A 124 14.073 8.467 2.832 1.00 0.00 C ATOM 1898 O TRP A 124 13.505 8.404 1.748 1.00 0.00 O ATOM 1899 CB TRP A 124 13.922 6.255 4.078 1.00 0.00 C ATOM 1900 CG TRP A 124 14.523 4.913 4.374 1.00 0.00 C ATOM 1901 CD1 TRP A 124 15.807 4.545 4.156 1.00 0.00 C ATOM 1902 CD2 TRP A 124 13.875 3.736 4.946 1.00 0.00 C ATOM 1903 NE1 TRP A 124 15.985 3.233 4.519 1.00 0.00 N ATOM 1904 CE2 TRP A 124 14.830 2.678 5.012 1.00 0.00 C ATOM 1905 CE3 TRP A 124 12.564 3.447 5.378 1.00 0.00 C ATOM 1906 CZ2 TRP A 124 14.505 1.391 5.458 1.00 0.00 C ATOM 1907 CZ3 TRP A 124 12.247 2.184 5.922 1.00 0.00 C ATOM 1908 CH2 TRP A 124 13.214 1.159 5.956 1.00 0.00 C ATOM 0 H TRP A 124 15.573 7.910 5.194 1.00 0.00 H new ATOM 0 HA TRP A 124 15.257 6.737 2.499 1.00 0.00 H new ATOM 0 HB2 TRP A 124 13.597 6.701 5.018 1.00 0.00 H new ATOM 0 HB3 TRP A 124 13.029 6.105 3.471 1.00 0.00 H new ATOM 0 HD1 TRP A 124 16.577 5.188 3.756 1.00 0.00 H new ATOM 0 HE1 TRP A 124 16.869 2.731 4.433 1.00 0.00 H new ATOM 0 HE3 TRP A 124 11.795 4.200 5.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 15.233 0.594 5.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 11.258 2.002 6.315 1.00 0.00 H new ATOM 0 HH2 TRP A 124 12.961 0.193 6.366 1.00 0.00 H new ATOM 1919 N LEU A 125 14.072 9.599 3.544 1.00 0.00 N ATOM 1920 CA LEU A 125 13.410 10.809 3.067 1.00 0.00 C ATOM 1921 C LEU A 125 14.221 11.498 1.977 1.00 0.00 C ATOM 1922 O LEU A 125 13.624 12.153 1.126 1.00 0.00 O ATOM 1923 CB LEU A 125 13.174 11.795 4.221 1.00 0.00 C ATOM 1924 CG LEU A 125 11.825 11.622 4.930 1.00 0.00 C ATOM 1925 CD1 LEU A 125 11.766 12.583 6.109 1.00 0.00 C ATOM 1926 CD2 LEU A 125 10.653 11.909 3.987 1.00 0.00 C ATOM 0 H LEU A 125 14.524 9.698 4.453 1.00 0.00 H new ATOM 0 HA LEU A 125 12.451 10.504 2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 125 13.974 11.679 4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 125 13.241 12.812 3.834 1.00 0.00 H new ATOM 0 HG LEU A 125 11.741 10.589 5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 125 10.811 12.471 6.623 1.00 0.00 H new ATOM 0 HD12 LEU A 125 12.579 12.361 6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.866 13.607 5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 125 9.713 11.777 4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 125 10.722 12.934 3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 125 10.689 11.221 3.142 1.00 0.00 H new ATOM 1938 N PHE A 126 15.553 11.392 1.996 1.00 0.00 N ATOM 1939 CA PHE A 126 16.409 12.020 0.987 1.00 0.00 C ATOM 1940 C PHE A 126 16.170 11.436 -0.413 1.00 0.00 C ATOM 1941 O PHE A 126 16.462 12.090 -1.416 1.00 0.00 O ATOM 1942 CB PHE A 126 17.889 11.832 1.367 1.00 0.00 C ATOM 1943 CG PHE A 126 18.353 12.365 2.717 1.00 0.00 C ATOM 1944 CD1 PHE A 126 17.678 13.412 3.381 1.00 0.00 C ATOM 1945 CD2 PHE A 126 19.510 11.816 3.303 1.00 0.00 C ATOM 1946 CE1 PHE A 126 18.147 13.882 4.620 1.00 0.00 C ATOM 1947 CE2 PHE A 126 19.978 12.289 4.540 1.00 0.00 C ATOM 1948 CZ PHE A 126 19.294 13.320 5.204 1.00 0.00 C ATOM 0 H PHE A 126 16.065 10.871 2.708 1.00 0.00 H new ATOM 0 HA PHE A 126 16.157 13.080 0.960 1.00 0.00 H new ATOM 0 HB2 PHE A 126 18.109 10.765 1.335 1.00 0.00 H new ATOM 0 HB3 PHE A 126 18.495 12.305 0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 126 16.799 13.853 2.936 1.00 0.00 H new ATOM 0 HD2 PHE A 126 20.042 11.024 2.797 1.00 0.00 H new ATOM 0 HE1 PHE A 126 17.623 14.679 5.125 1.00 0.00 H new ATOM 0 HE2 PHE A 126 20.865 11.859 4.981 1.00 0.00 H new ATOM 0 HZ PHE A 126 19.648 13.679 6.159 1.00 0.00 H new ATOM 1958 N LEU A 127 15.682 10.194 -0.479 1.00 0.00 N ATOM 1959 CA LEU A 127 15.547 9.418 -1.705 1.00 0.00 C ATOM 1960 C LEU A 127 14.530 10.078 -2.648 1.00 0.00 C ATOM 1961 O LEU A 127 13.581 10.686 -2.158 1.00 0.00 O ATOM 1962 CB LEU A 127 15.084 7.992 -1.350 1.00 0.00 C ATOM 1963 CG LEU A 127 15.983 7.217 -0.369 1.00 0.00 C ATOM 1964 CD1 LEU A 127 15.398 5.825 -0.093 1.00 0.00 C ATOM 1965 CD2 LEU A 127 17.394 7.057 -0.930 1.00 0.00 C ATOM 0 H LEU A 127 15.361 9.689 0.347 1.00 0.00 H new ATOM 0 HA LEU A 127 16.511 9.377 -2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 127 14.082 8.052 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 127 15.005 7.416 -2.272 1.00 0.00 H new ATOM 0 HG LEU A 127 16.029 7.788 0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 127 16.045 5.290 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 127 14.404 5.928 0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 127 15.329 5.268 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 127 18.008 6.506 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 127 17.351 6.510 -1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 127 17.831 8.041 -1.102 1.00 0.00 H new ATOM 1977 N PRO A 128 14.661 9.919 -3.979 1.00 0.00 N ATOM 1978 CA PRO A 128 13.687 10.436 -4.942 1.00 0.00 C ATOM 1979 C PRO A 128 12.348 9.725 -4.779 1.00 0.00 C ATOM 1980 O PRO A 128 12.294 8.604 -4.260 1.00 0.00 O ATOM 1981 CB PRO A 128 14.292 10.170 -6.322 1.00 0.00 C ATOM 1982 CG PRO A 128 15.203 8.967 -6.084 1.00 0.00 C ATOM 1983 CD PRO A 128 15.704 9.170 -4.658 1.00 0.00 C ATOM 0 HA PRO A 128 13.492 11.498 -4.795 1.00 0.00 H new ATOM 0 HB2 PRO A 128 13.523 9.951 -7.062 1.00 0.00 H new ATOM 0 HB3 PRO A 128 14.851 11.031 -6.688 1.00 0.00 H new ATOM 0 HG2 PRO A 128 14.661 8.027 -6.188 1.00 0.00 H new ATOM 0 HG3 PRO A 128 16.026 8.941 -6.798 1.00 0.00 H new ATOM 0 HD2 PRO A 128 15.883 8.214 -4.166 1.00 0.00 H new ATOM 0 HD3 PRO A 128 16.648 9.715 -4.648 1.00 0.00 H new ATOM 1991 N TYR A 129 11.268 10.373 -5.216 1.00 0.00 N ATOM 1992 CA TYR A 129 9.921 9.873 -4.975 1.00 0.00 C ATOM 1993 C TYR A 129 9.325 9.307 -6.257 1.00 0.00 C ATOM 1994 O TYR A 129 9.736 9.680 -7.360 1.00 0.00 O ATOM 1995 CB TYR A 129 8.991 10.954 -4.434 1.00 0.00 C ATOM 1996 CG TYR A 129 9.466 11.833 -3.308 1.00 0.00 C ATOM 1997 CD1 TYR A 129 10.479 11.385 -2.454 1.00 0.00 C ATOM 1998 CD2 TYR A 129 8.905 13.110 -3.131 1.00 0.00 C ATOM 1999 CE1 TYR A 129 10.999 12.233 -1.474 1.00 0.00 C ATOM 2000 CE2 TYR A 129 9.374 13.943 -2.103 1.00 0.00 C ATOM 2001 CZ TYR A 129 10.424 13.503 -1.269 1.00 0.00 C ATOM 2002 OH TYR A 129 10.815 14.260 -0.212 1.00 0.00 O ATOM 0 H TYR A 129 11.304 11.247 -5.740 1.00 0.00 H new ATOM 0 HA TYR A 129 10.009 9.089 -4.223 1.00 0.00 H new ATOM 0 HB2 TYR A 129 8.723 11.604 -5.267 1.00 0.00 H new ATOM 0 HB3 TYR A 129 8.075 10.464 -4.104 1.00 0.00 H new ATOM 0 HD1 TYR A 129 10.860 10.379 -2.553 1.00 0.00 H new ATOM 0 HD2 TYR A 129 8.115 13.449 -3.785 1.00 0.00 H new ATOM 0 HE1 TYR A 129 11.840 11.916 -0.875 1.00 0.00 H new ATOM 0 HE2 TYR A 129 8.933 14.917 -1.951 1.00 0.00 H new ATOM 0 HH TYR A 129 10.322 15.107 -0.216 1.00 0.00 H new ATOM 2012 N HIS A 130 8.315 8.456 -6.112 1.00 0.00 N ATOM 2013 CA HIS A 130 7.695 7.736 -7.221 1.00 0.00 C ATOM 2014 C HIS A 130 6.165 7.784 -7.151 1.00 0.00 C ATOM 2015 O HIS A 130 5.574 7.091 -6.329 1.00 0.00 O ATOM 2016 CB HIS A 130 8.205 6.279 -7.265 1.00 0.00 C ATOM 2017 CG HIS A 130 9.700 6.107 -7.435 1.00 0.00 C ATOM 2018 ND1 HIS A 130 10.330 5.541 -8.523 1.00 0.00 N ATOM 2019 CD2 HIS A 130 10.670 6.419 -6.518 1.00 0.00 C ATOM 2020 CE1 HIS A 130 11.652 5.575 -8.290 1.00 0.00 C ATOM 2021 NE2 HIS A 130 11.914 6.115 -7.085 1.00 0.00 N ATOM 0 H HIS A 130 7.897 8.243 -5.206 1.00 0.00 H new ATOM 0 HA HIS A 130 7.985 8.235 -8.146 1.00 0.00 H new ATOM 0 HB2 HIS A 130 7.904 5.781 -6.343 1.00 0.00 H new ATOM 0 HB3 HIS A 130 7.704 5.764 -8.084 1.00 0.00 H new ATOM 0 HD2 HIS A 130 10.504 6.827 -5.532 1.00 0.00 H new ATOM 0 HE1 HIS A 130 12.404 5.217 -8.977 1.00 0.00 H new ATOM 0 HE2 HIS A 130 12.832 6.271 -6.669 1.00 0.00 H new ATOM 2029 N GLU A 131 5.518 8.577 -8.019 1.00 0.00 N ATOM 2030 CA GLU A 131 4.066 8.849 -8.024 1.00 0.00 C ATOM 2031 C GLU A 131 3.190 7.592 -8.165 1.00 0.00 C ATOM 2032 O GLU A 131 1.983 7.624 -7.920 1.00 0.00 O ATOM 2033 CB GLU A 131 3.735 9.881 -9.117 1.00 0.00 C ATOM 2034 CG GLU A 131 2.830 11.042 -8.672 1.00 0.00 C ATOM 2035 CD GLU A 131 2.114 11.801 -9.801 1.00 0.00 C ATOM 2036 OE1 GLU A 131 1.969 11.281 -10.934 1.00 0.00 O ATOM 2037 OE2 GLU A 131 1.710 12.963 -9.545 1.00 0.00 O ATOM 0 H GLU A 131 6.008 9.067 -8.767 1.00 0.00 H new ATOM 0 HA GLU A 131 3.822 9.255 -7.043 1.00 0.00 H new ATOM 0 HB2 GLU A 131 4.669 10.295 -9.497 1.00 0.00 H new ATOM 0 HB3 GLU A 131 3.254 9.365 -9.947 1.00 0.00 H new ATOM 0 HG2 GLU A 131 2.077 10.650 -7.989 1.00 0.00 H new ATOM 0 HG3 GLU A 131 3.433 11.753 -8.107 1.00 0.00 H new ATOM 2044 N SER A 132 3.798 6.472 -8.540 1.00 0.00 N ATOM 2045 CA SER A 132 3.203 5.152 -8.601 1.00 0.00 C ATOM 2046 C SER A 132 4.323 4.142 -8.342 1.00 0.00 C ATOM 2047 O SER A 132 5.494 4.524 -8.293 1.00 0.00 O ATOM 2048 CB SER A 132 2.570 4.963 -9.984 1.00 0.00 C ATOM 2049 OG SER A 132 3.531 5.187 -11.006 1.00 0.00 O ATOM 0 H SER A 132 4.777 6.466 -8.825 1.00 0.00 H new ATOM 0 HA SER A 132 2.418 5.015 -7.857 1.00 0.00 H new ATOM 0 HB2 SER A 132 2.166 3.954 -10.071 1.00 0.00 H new ATOM 0 HB3 SER A 132 1.734 5.652 -10.105 1.00 0.00 H new ATOM 0 HG SER A 132 3.112 5.061 -11.883 1.00 0.00 H new ATOM 2055 N TYR A 133 3.997 2.852 -8.278 1.00 0.00 N ATOM 2056 CA TYR A 133 5.001 1.797 -8.276 1.00 0.00 C ATOM 2057 C TYR A 133 4.646 0.763 -9.339 1.00 0.00 C ATOM 2058 O TYR A 133 3.533 0.767 -9.878 1.00 0.00 O ATOM 2059 CB TYR A 133 5.130 1.207 -6.868 1.00 0.00 C ATOM 2060 CG TYR A 133 6.325 0.293 -6.685 1.00 0.00 C ATOM 2061 CD1 TYR A 133 7.626 0.805 -6.853 1.00 0.00 C ATOM 2062 CD2 TYR A 133 6.143 -1.068 -6.378 1.00 0.00 C ATOM 2063 CE1 TYR A 133 8.739 -0.036 -6.698 1.00 0.00 C ATOM 2064 CE2 TYR A 133 7.261 -1.902 -6.180 1.00 0.00 C ATOM 2065 CZ TYR A 133 8.567 -1.391 -6.347 1.00 0.00 C ATOM 2066 OH TYR A 133 9.658 -2.184 -6.162 1.00 0.00 O ATOM 0 H TYR A 133 3.036 2.514 -8.227 1.00 0.00 H new ATOM 0 HA TYR A 133 5.983 2.194 -8.534 1.00 0.00 H new ATOM 0 HB2 TYR A 133 5.198 2.023 -6.149 1.00 0.00 H new ATOM 0 HB3 TYR A 133 4.222 0.651 -6.635 1.00 0.00 H new ATOM 0 HD1 TYR A 133 7.768 1.846 -7.102 1.00 0.00 H new ATOM 0 HD2 TYR A 133 5.146 -1.474 -6.294 1.00 0.00 H new ATOM 0 HE1 TYR A 133 9.734 0.357 -6.849 1.00 0.00 H new ATOM 0 HE2 TYR A 133 7.119 -2.935 -5.900 1.00 0.00 H new ATOM 0 HH TYR A 133 9.391 -3.005 -5.699 1.00 0.00 H new ATOM 2076 N ASP A 134 5.599 -0.105 -9.658 1.00 0.00 N ATOM 2077 CA ASP A 134 5.529 -1.109 -10.702 1.00 0.00 C ATOM 2078 C ASP A 134 6.540 -2.225 -10.414 1.00 0.00 C ATOM 2079 O ASP A 134 7.447 -2.041 -9.602 1.00 0.00 O ATOM 2080 CB ASP A 134 5.792 -0.468 -12.079 1.00 0.00 C ATOM 2081 CG ASP A 134 7.145 0.240 -12.228 1.00 0.00 C ATOM 2082 OD1 ASP A 134 8.202 -0.409 -12.090 1.00 0.00 O ATOM 2083 OD2 ASP A 134 7.159 1.463 -12.523 1.00 0.00 O ATOM 0 H ASP A 134 6.491 -0.124 -9.164 1.00 0.00 H new ATOM 0 HA ASP A 134 4.529 -1.542 -10.719 1.00 0.00 H new ATOM 0 HB2 ASP A 134 5.721 -1.244 -12.841 1.00 0.00 H new ATOM 0 HB3 ASP A 134 5.000 0.252 -12.283 1.00 0.00 H new ATOM 2088 N SER A 135 6.383 -3.362 -11.094 1.00 0.00 N ATOM 2089 CA SER A 135 7.362 -4.448 -11.185 1.00 0.00 C ATOM 2090 C SER A 135 7.977 -4.522 -12.595 1.00 0.00 C ATOM 2091 O SER A 135 8.860 -5.348 -12.835 1.00 0.00 O ATOM 2092 CB SER A 135 6.718 -5.797 -10.824 1.00 0.00 C ATOM 2093 OG SER A 135 7.662 -6.696 -10.275 1.00 0.00 O ATOM 0 H SER A 135 5.532 -3.560 -11.620 1.00 0.00 H new ATOM 0 HA SER A 135 8.157 -4.235 -10.470 1.00 0.00 H new ATOM 0 HB2 SER A 135 5.911 -5.636 -10.110 1.00 0.00 H new ATOM 0 HB3 SER A 135 6.271 -6.237 -11.715 1.00 0.00 H new ATOM 0 HG SER A 135 7.219 -7.542 -10.056 1.00 0.00 H new ATOM 2099 N GLU A 136 7.516 -3.684 -13.524 1.00 0.00 N ATOM 2100 CA GLU A 136 7.918 -3.558 -14.897 1.00 0.00 C ATOM 2101 C GLU A 136 7.932 -2.074 -15.183 1.00 0.00 C ATOM 2102 O GLU A 136 6.889 -1.414 -15.288 1.00 0.00 O ATOM 2103 CB GLU A 136 6.919 -4.276 -15.796 1.00 0.00 C ATOM 2104 CG GLU A 136 7.365 -5.717 -15.972 1.00 0.00 C ATOM 2105 CD GLU A 136 8.393 -5.844 -17.106 1.00 0.00 C ATOM 2106 OE1 GLU A 136 9.436 -5.147 -17.076 1.00 0.00 O ATOM 2107 OE2 GLU A 136 8.095 -6.548 -18.098 1.00 0.00 O ATOM 0 H GLU A 136 6.779 -3.017 -13.295 1.00 0.00 H new ATOM 0 HA GLU A 136 8.895 -4.004 -15.083 1.00 0.00 H new ATOM 0 HB2 GLU A 136 5.922 -4.241 -15.356 1.00 0.00 H new ATOM 0 HB3 GLU A 136 6.858 -3.779 -16.764 1.00 0.00 H new ATOM 0 HG2 GLU A 136 7.799 -6.083 -15.041 1.00 0.00 H new ATOM 0 HG3 GLU A 136 6.500 -6.344 -16.189 1.00 0.00 H new ATOM 2114 N GLY A 137 9.139 -1.555 -15.197 1.00 0.00 N ATOM 2115 CA GLY A 137 9.482 -0.159 -15.317 1.00 0.00 C ATOM 2116 C GLY A 137 10.934 0.034 -15.746 1.00 0.00 C ATOM 2117 O GLY A 137 11.754 -0.892 -15.632 1.00 0.00 O ATOM 0 H GLY A 137 9.968 -2.144 -15.119 1.00 0.00 H new ATOM 0 HA2 GLY A 137 8.822 0.316 -16.043 1.00 0.00 H new ATOM 0 HA3 GLY A 137 9.316 0.339 -14.362 1.00 0.00 H new ATOM 2121 N PRO A 138 11.291 1.253 -16.183 1.00 0.00 N ATOM 2122 CA PRO A 138 12.675 1.681 -16.312 1.00 0.00 C ATOM 2123 C PRO A 138 13.385 1.790 -14.958 1.00 0.00 C ATOM 2124 O PRO A 138 14.617 1.796 -14.926 1.00 0.00 O ATOM 2125 CB PRO A 138 12.628 3.036 -17.027 1.00 0.00 C ATOM 2126 CG PRO A 138 11.246 3.575 -16.662 1.00 0.00 C ATOM 2127 CD PRO A 138 10.398 2.311 -16.630 1.00 0.00 C ATOM 0 HA PRO A 138 13.252 0.946 -16.874 1.00 0.00 H new ATOM 0 HB2 PRO A 138 13.422 3.700 -16.685 1.00 0.00 H new ATOM 0 HB3 PRO A 138 12.746 2.927 -18.105 1.00 0.00 H new ATOM 0 HG2 PRO A 138 11.251 4.085 -15.699 1.00 0.00 H new ATOM 0 HG3 PRO A 138 10.881 4.290 -17.400 1.00 0.00 H new ATOM 0 HD2 PRO A 138 9.552 2.423 -15.951 1.00 0.00 H new ATOM 0 HD3 PRO A 138 9.989 2.088 -17.615 1.00 0.00 H new ATOM 2135 N HIS A 139 12.660 1.876 -13.838 1.00 0.00 N ATOM 2136 CA HIS A 139 13.216 1.762 -12.504 1.00 0.00 C ATOM 2137 C HIS A 139 13.473 0.281 -12.236 1.00 0.00 C ATOM 2138 O HIS A 139 12.628 -0.428 -11.686 1.00 0.00 O ATOM 2139 CB HIS A 139 12.287 2.383 -11.460 1.00 0.00 C ATOM 2140 CG HIS A 139 12.019 3.860 -11.615 1.00 0.00 C ATOM 2141 ND1 HIS A 139 12.935 4.892 -11.623 1.00 0.00 N ATOM 2142 CD2 HIS A 139 10.776 4.422 -11.682 1.00 0.00 C ATOM 2143 CE1 HIS A 139 12.249 6.046 -11.688 1.00 0.00 C ATOM 2144 NE2 HIS A 139 10.925 5.812 -11.688 1.00 0.00 N ATOM 0 H HIS A 139 11.652 2.030 -13.843 1.00 0.00 H new ATOM 0 HA HIS A 139 14.153 2.315 -12.433 1.00 0.00 H new ATOM 0 HB2 HIS A 139 11.334 1.855 -11.489 1.00 0.00 H new ATOM 0 HB3 HIS A 139 12.716 2.212 -10.472 1.00 0.00 H new ATOM 0 HD2 HIS A 139 9.840 3.885 -11.723 1.00 0.00 H new ATOM 0 HE1 HIS A 139 12.699 7.027 -11.734 1.00 0.00 H new ATOM 0 HE2 HIS A 139 10.180 6.508 -11.692 1.00 0.00 H new ATOM 2152 N GLY A 140 14.640 -0.188 -12.663 1.00 0.00 N ATOM 2153 CA GLY A 140 15.164 -1.548 -12.525 1.00 0.00 C ATOM 2154 C GLY A 140 15.422 -2.011 -11.084 1.00 0.00 C ATOM 2155 O GLY A 140 16.456 -2.611 -10.819 1.00 0.00 O ATOM 0 H GLY A 140 15.298 0.418 -13.153 1.00 0.00 H new ATOM 0 HA2 GLY A 140 14.461 -2.239 -12.990 1.00 0.00 H new ATOM 0 HA3 GLY A 140 16.097 -1.618 -13.084 1.00 0.00 H new ATOM 2159 N LEU A 141 14.508 -1.742 -10.150 1.00 0.00 N ATOM 2160 CA LEU A 141 14.626 -1.951 -8.711 1.00 0.00 C ATOM 2161 C LEU A 141 13.267 -2.398 -8.175 1.00 0.00 C ATOM 2162 O LEU A 141 12.463 -1.582 -7.712 1.00 0.00 O ATOM 2163 CB LEU A 141 15.100 -0.666 -8.007 1.00 0.00 C ATOM 2164 CG LEU A 141 14.404 0.627 -8.483 1.00 0.00 C ATOM 2165 CD1 LEU A 141 13.900 1.442 -7.303 1.00 0.00 C ATOM 2166 CD2 LEU A 141 15.341 1.471 -9.341 1.00 0.00 C ATOM 0 H LEU A 141 13.603 -1.344 -10.400 1.00 0.00 H new ATOM 0 HA LEU A 141 15.371 -2.721 -8.510 1.00 0.00 H new ATOM 0 HB2 LEU A 141 14.938 -0.775 -6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 141 16.174 -0.561 -8.158 1.00 0.00 H new ATOM 0 HG LEU A 141 13.549 0.333 -9.092 1.00 0.00 H new ATOM 0 HD11 LEU A 141 13.414 2.347 -7.667 1.00 0.00 H new ATOM 0 HD12 LEU A 141 13.184 0.851 -6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 141 14.740 1.713 -6.663 1.00 0.00 H new ATOM 0 HD21 LEU A 141 14.824 2.375 -9.662 1.00 0.00 H new ATOM 0 HD22 LEU A 141 16.221 1.743 -8.759 1.00 0.00 H new ATOM 0 HD23 LEU A 141 15.648 0.898 -10.216 1.00 0.00 H new ATOM 2178 N ARG A 142 12.982 -3.700 -8.262 1.00 0.00 N ATOM 2179 CA ARG A 142 11.643 -4.225 -7.999 1.00 0.00 C ATOM 2180 C ARG A 142 11.700 -5.225 -6.863 1.00 0.00 C ATOM 2181 O ARG A 142 12.755 -5.836 -6.677 1.00 0.00 O ATOM 2182 CB ARG A 142 10.979 -4.883 -9.215 1.00 0.00 C ATOM 2183 CG ARG A 142 11.052 -4.050 -10.494 1.00 0.00 C ATOM 2184 CD ARG A 142 12.335 -4.354 -11.256 1.00 0.00 C ATOM 2185 NE ARG A 142 12.297 -3.769 -12.603 1.00 0.00 N ATOM 2186 CZ ARG A 142 12.434 -4.416 -13.768 1.00 0.00 C ATOM 2187 NH1 ARG A 142 12.706 -5.723 -13.810 1.00 0.00 N ATOM 2188 NH2 ARG A 142 12.307 -3.726 -14.895 1.00 0.00 N ATOM 0 H ARG A 142 13.667 -4.413 -8.514 1.00 0.00 H new ATOM 0 HA ARG A 142 11.029 -3.364 -7.736 1.00 0.00 H new ATOM 0 HB2 ARG A 142 11.452 -5.848 -9.396 1.00 0.00 H new ATOM 0 HB3 ARG A 142 9.933 -5.080 -8.982 1.00 0.00 H new ATOM 0 HG2 ARG A 142 10.189 -4.264 -11.124 1.00 0.00 H new ATOM 0 HG3 ARG A 142 11.011 -2.989 -10.247 1.00 0.00 H new ATOM 0 HD2 ARG A 142 13.190 -3.959 -10.708 1.00 0.00 H new ATOM 0 HD3 ARG A 142 12.473 -5.433 -11.328 1.00 0.00 H new ATOM 0 HE ARG A 142 12.150 -2.761 -12.657 1.00 0.00 H new ATOM 0 HH11 ARG A 142 12.814 -6.250 -12.943 1.00 0.00 H new ATOM 0 HH12 ARG A 142 12.806 -6.194 -14.709 1.00 0.00 H new ATOM 0 HH21 ARG A 142 12.109 -2.726 -14.861 1.00 0.00 H new ATOM 0 HH22 ARG A 142 12.407 -4.196 -15.795 1.00 0.00 H new ATOM 2202 N TYR A 143 10.584 -5.423 -6.150 1.00 0.00 N ATOM 2203 CA TYR A 143 10.570 -6.292 -4.974 1.00 0.00 C ATOM 2204 C TYR A 143 11.161 -7.649 -5.342 1.00 0.00 C ATOM 2205 O TYR A 143 10.767 -8.231 -6.356 1.00 0.00 O ATOM 2206 CB TYR A 143 9.163 -6.469 -4.374 1.00 0.00 C ATOM 2207 CG TYR A 143 9.148 -7.305 -3.098 1.00 0.00 C ATOM 2208 CD1 TYR A 143 10.100 -7.081 -2.082 1.00 0.00 C ATOM 2209 CD2 TYR A 143 8.185 -8.318 -2.920 1.00 0.00 C ATOM 2210 CE1 TYR A 143 10.111 -7.878 -0.925 1.00 0.00 C ATOM 2211 CE2 TYR A 143 8.181 -9.111 -1.760 1.00 0.00 C ATOM 2212 CZ TYR A 143 9.159 -8.904 -0.761 1.00 0.00 C ATOM 2213 OH TYR A 143 9.188 -9.670 0.361 1.00 0.00 O ATOM 0 H TYR A 143 9.685 -4.994 -6.368 1.00 0.00 H new ATOM 0 HA TYR A 143 11.175 -5.811 -4.206 1.00 0.00 H new ATOM 0 HB2 TYR A 143 8.741 -5.487 -4.161 1.00 0.00 H new ATOM 0 HB3 TYR A 143 8.517 -6.939 -5.115 1.00 0.00 H new ATOM 0 HD1 TYR A 143 10.827 -6.290 -2.194 1.00 0.00 H new ATOM 0 HD2 TYR A 143 7.441 -8.487 -3.684 1.00 0.00 H new ATOM 0 HE1 TYR A 143 10.852 -7.704 -0.159 1.00 0.00 H new ATOM 0 HE2 TYR A 143 7.431 -9.878 -1.632 1.00 0.00 H new ATOM 0 HH TYR A 143 8.466 -10.332 0.324 1.00 0.00 H new ATOM 2223 N ASN A 144 12.108 -8.145 -4.545 1.00 0.00 N ATOM 2224 CA ASN A 144 12.920 -9.310 -4.893 1.00 0.00 C ATOM 2225 C ASN A 144 12.714 -10.442 -3.876 1.00 0.00 C ATOM 2226 O ASN A 144 13.666 -10.846 -3.208 1.00 0.00 O ATOM 2227 CB ASN A 144 14.394 -8.837 -5.043 1.00 0.00 C ATOM 2228 CG ASN A 144 14.916 -8.999 -6.457 1.00 0.00 C ATOM 2229 OD1 ASN A 144 15.590 -9.980 -6.756 1.00 0.00 O ATOM 2230 ND2 ASN A 144 14.608 -8.058 -7.333 1.00 0.00 N ATOM 0 H ASN A 144 12.334 -7.746 -3.634 1.00 0.00 H new ATOM 0 HA ASN A 144 12.614 -9.741 -5.846 1.00 0.00 H new ATOM 0 HB2 ASN A 144 14.467 -7.790 -4.750 1.00 0.00 H new ATOM 0 HB3 ASN A 144 15.025 -9.404 -4.359 1.00 0.00 H new ATOM 0 HD21 ASN A 144 14.933 -8.132 -8.297 1.00 0.00 H new ATOM 0 HD22 ASN A 144 14.045 -7.258 -7.045 1.00 0.00 H new