USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 806 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 99 GLN : amide:sc= -2.03 K(o=-2.9,f=-6!) USER MOD Set 1.2: A 102 GLN : amide:sc= -0.912 X(o=-2.9,f=-3.4) USER MOD Set 2.1: A 88 HIS : no HE2:sc= -5.35! C(o=-6!,f=-6.2!) USER MOD Set 2.2: A 97 MET CE :methyl -129:sc= -0.614 (180deg=-0.839) USER MOD Set 3.1: A 85 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 86 MET CE :methyl 170:sc= 0 (180deg=0) USER MOD Set 4.1: A 53 MET CE :methyl -126:sc= -0.45 (180deg=-2.87!) USER MOD Set 4.2: A 57 ASN : amide:sc= -0.0799 X(o=-0.53,f=-0.4) USER MOD Set 5.1: A 29 MET CE :methyl -145:sc= -0.13 (180deg=-0.803) USER MOD Set 5.2: A 79 MET CE :methyl 179:sc= -8.47! (180deg=-8.58!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0739 USER MOD Single : A 9 SER OG : rot 180:sc= 0.124 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.195 K(o=-0.19,f=-1.3!) USER MOD Single : A 14 GLN : amide:sc= -3.83! K(o=-3.8!,f=-1.6) USER MOD Single : A 15 MET CE :methyl -127:sc= -7.67! (180deg=-16.4!) USER MOD Single : A 20 MET CE :methyl -152:sc= -3.04! (180deg=-6.09!) USER MOD Single : A 22 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.026) USER MOD Single : A 23 HIS : no HD1:sc= -0.599 X(o=-0.6,f=-0.4) USER MOD Single : A 26 MET CE :methyl -174:sc= -1.19 (180deg=-1.4) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 139:sc= 0.464 (180deg=-0.0905) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.94! C(o=-1.9!,f=-1.4!) USER MOD Single : A 39 SER OG : rot 180:sc= -0.183 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= -1.33 K(o=-1.3,f=-2.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.017 K(o=-0.017,f=-0.75) USER MOD Single : A 54 GLN : amide:sc= -0.235 K(o=-0.24,f=-2.1!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 136:sc= -7.09! (180deg=-10.4!) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 175:sc= 0 (180deg=-0.0397) USER MOD Single : A 70 MET CE :methyl 140:sc= -9.26! (180deg=-9.91!) USER MOD Single : A 72 ASN : amide:sc= -0.836 K(o=-0.84,f=-5!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -2.27 X(o=-2.3,f=-2.1) USER MOD Single : A 84 MET CE :methyl -151:sc= -4.61! (180deg=-8.54!) USER MOD Single : A 89 ASN : amide:sc= -1.52 K(o=-1.5,f=0) USER MOD Single : A 95 ASN : amide:sc= 0.996 K(o=1,f=-0.18) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.098 -8.539 14.128 1.00 0.00 N ATOM 2 CA PRO A 1 -0.387 -7.532 13.142 1.00 0.00 C ATOM 3 C PRO A 1 0.216 -7.733 11.758 1.00 0.00 C ATOM 4 O PRO A 1 -0.416 -7.407 10.765 1.00 0.00 O ATOM 5 CB PRO A 1 -0.153 -6.122 13.702 1.00 0.00 C ATOM 6 CG PRO A 1 0.965 -6.289 14.732 1.00 0.00 C ATOM 7 CD PRO A 1 1.075 -7.796 14.975 1.00 0.00 C ATOM 0 H2 PRO A 1 0.539 -9.332 13.662 1.00 0.00 H new ATOM 0 H3 PRO A 1 -0.670 -8.911 14.687 1.00 0.00 H new ATOM 0 HA PRO A 1 -1.459 -7.668 12.998 1.00 0.00 H new ATOM 0 HB2 PRO A 1 0.136 -5.427 12.914 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -1.058 -5.724 14.162 1.00 0.00 H new ATOM 0 HG2 PRO A 1 1.905 -5.882 14.360 1.00 0.00 H new ATOM 0 HG3 PRO A 1 0.731 -5.759 15.655 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.087 -8.133 14.751 1.00 0.00 H new ATOM 0 HD3 PRO A 1 0.892 -8.014 16.027 1.00 0.00 H new ATOM 15 N TYR A 2 1.435 -8.250 11.698 1.00 0.00 N ATOM 16 CA TYR A 2 2.167 -8.492 10.475 1.00 0.00 C ATOM 17 C TYR A 2 2.995 -9.765 10.571 1.00 0.00 C ATOM 18 O TYR A 2 2.892 -10.494 11.555 1.00 0.00 O ATOM 19 CB TYR A 2 3.077 -7.284 10.257 1.00 0.00 C ATOM 20 CG TYR A 2 4.363 -7.297 11.047 1.00 0.00 C ATOM 21 CD1 TYR A 2 4.354 -7.246 12.454 1.00 0.00 C ATOM 22 CD2 TYR A 2 5.577 -7.398 10.361 1.00 0.00 C ATOM 23 CE1 TYR A 2 5.565 -7.318 13.166 1.00 0.00 C ATOM 24 CE2 TYR A 2 6.791 -7.489 11.065 1.00 0.00 C ATOM 25 CZ TYR A 2 6.784 -7.447 12.470 1.00 0.00 C ATOM 26 OH TYR A 2 7.955 -7.467 13.145 1.00 0.00 O ATOM 0 H TYR A 2 1.955 -8.520 12.533 1.00 0.00 H new ATOM 0 HA TYR A 2 1.478 -8.624 9.641 1.00 0.00 H new ATOM 0 HB2 TYR A 2 3.321 -7.220 9.197 1.00 0.00 H new ATOM 0 HB3 TYR A 2 2.522 -6.381 10.511 1.00 0.00 H new ATOM 0 HD1 TYR A 2 3.419 -7.152 12.986 1.00 0.00 H new ATOM 0 HD2 TYR A 2 5.583 -7.406 9.281 1.00 0.00 H new ATOM 0 HE1 TYR A 2 5.561 -7.274 14.245 1.00 0.00 H new ATOM 0 HE2 TYR A 2 7.723 -7.591 10.529 1.00 0.00 H new ATOM 0 HH TYR A 2 8.696 -7.563 12.511 1.00 0.00 H new ATOM 36 N GLY A 3 3.838 -9.975 9.567 1.00 0.00 N ATOM 37 CA GLY A 3 4.763 -11.086 9.548 1.00 0.00 C ATOM 38 C GLY A 3 6.133 -10.707 9.023 1.00 0.00 C ATOM 39 O GLY A 3 6.430 -9.547 8.756 1.00 0.00 O ATOM 0 H GLY A 3 3.894 -9.375 8.744 1.00 0.00 H new ATOM 0 HA2 GLY A 3 4.864 -11.485 10.557 1.00 0.00 H new ATOM 0 HA3 GLY A 3 4.351 -11.884 8.930 1.00 0.00 H new ATOM 43 N ARG A 4 6.996 -11.693 8.826 1.00 0.00 N ATOM 44 CA ARG A 4 8.339 -11.453 8.317 1.00 0.00 C ATOM 45 C ARG A 4 8.606 -12.348 7.124 1.00 0.00 C ATOM 46 O ARG A 4 8.681 -13.556 7.256 1.00 0.00 O ATOM 47 CB ARG A 4 9.363 -11.706 9.425 1.00 0.00 C ATOM 48 CG ARG A 4 10.625 -10.867 9.182 1.00 0.00 C ATOM 49 CD ARG A 4 10.569 -9.556 9.977 1.00 0.00 C ATOM 50 NE ARG A 4 11.884 -9.229 10.555 1.00 0.00 N ATOM 51 CZ ARG A 4 12.290 -8.033 10.928 1.00 0.00 C ATOM 52 NH1 ARG A 4 11.514 -6.993 10.782 1.00 0.00 N ATOM 53 NH2 ARG A 4 13.486 -7.856 11.417 1.00 0.00 N ATOM 0 H ARG A 4 6.788 -12.674 9.012 1.00 0.00 H new ATOM 0 HA ARG A 4 8.425 -10.415 7.994 1.00 0.00 H new ATOM 0 HB2 ARG A 4 8.931 -11.454 10.394 1.00 0.00 H new ATOM 0 HB3 ARG A 4 9.622 -12.764 9.456 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.508 -11.437 9.473 1.00 0.00 H new ATOM 0 HG3 ARG A 4 10.723 -10.649 8.119 1.00 0.00 H new ATOM 0 HD2 ARG A 4 10.243 -8.745 9.325 1.00 0.00 H new ATOM 0 HD3 ARG A 4 9.830 -9.641 10.773 1.00 0.00 H new ATOM 0 HE ARG A 4 12.541 -10.000 10.678 1.00 0.00 H new ATOM 0 HH11 ARG A 4 10.585 -7.103 10.376 1.00 0.00 H new ATOM 0 HH12 ARG A 4 11.837 -6.071 11.074 1.00 0.00 H new ATOM 0 HH21 ARG A 4 14.120 -8.649 11.514 1.00 0.00 H new ATOM 0 HH22 ARG A 4 13.788 -6.924 11.702 1.00 0.00 H new ATOM 67 N GLY A 5 8.770 -11.746 5.955 1.00 0.00 N ATOM 68 CA GLY A 5 9.024 -12.498 4.736 1.00 0.00 C ATOM 69 C GLY A 5 9.664 -11.611 3.694 1.00 0.00 C ATOM 70 O GLY A 5 8.994 -10.779 3.084 1.00 0.00 O ATOM 0 H GLY A 5 8.731 -10.735 5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.676 -13.344 4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 5 8.089 -12.906 4.351 1.00 0.00 H new ATOM 74 N ARG A 6 10.991 -11.702 3.571 1.00 0.00 N ATOM 75 CA ARG A 6 11.729 -10.936 2.572 1.00 0.00 C ATOM 76 C ARG A 6 11.890 -11.724 1.289 1.00 0.00 C ATOM 77 O ARG A 6 11.825 -12.947 1.310 1.00 0.00 O ATOM 78 CB ARG A 6 13.108 -10.567 3.118 1.00 0.00 C ATOM 79 CG ARG A 6 13.030 -9.240 3.879 1.00 0.00 C ATOM 80 CD ARG A 6 14.410 -8.581 3.956 1.00 0.00 C ATOM 81 NE ARG A 6 14.291 -7.117 4.095 1.00 0.00 N ATOM 82 CZ ARG A 6 15.207 -6.313 4.603 1.00 0.00 C ATOM 83 NH1 ARG A 6 16.333 -6.794 5.062 1.00 0.00 N ATOM 84 NH2 ARG A 6 14.991 -5.029 4.686 1.00 0.00 N ATOM 0 H ARG A 6 11.575 -12.301 4.154 1.00 0.00 H new ATOM 0 HA ARG A 6 11.163 -10.031 2.353 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.469 -11.355 3.779 1.00 0.00 H new ATOM 0 HB3 ARG A 6 13.823 -10.485 2.299 1.00 0.00 H new ATOM 0 HG2 ARG A 6 12.328 -8.570 3.382 1.00 0.00 H new ATOM 0 HG3 ARG A 6 12.647 -9.413 4.885 1.00 0.00 H new ATOM 0 HD2 ARG A 6 14.963 -8.986 4.803 1.00 0.00 H new ATOM 0 HD3 ARG A 6 14.981 -8.819 3.059 1.00 0.00 H new ATOM 0 HE ARG A 6 13.425 -6.688 3.770 1.00 0.00 H new ATOM 0 HH11 ARG A 6 16.510 -7.798 5.029 1.00 0.00 H new ATOM 0 HH12 ARG A 6 17.035 -6.165 5.453 1.00 0.00 H new ATOM 0 HH21 ARG A 6 14.108 -4.638 4.357 1.00 0.00 H new ATOM 0 HH22 ARG A 6 15.705 -4.416 5.080 1.00 0.00 H new ATOM 98 N THR A 7 12.152 -11.013 0.201 1.00 0.00 N ATOM 99 CA THR A 7 12.339 -11.624 -1.108 1.00 0.00 C ATOM 100 C THR A 7 12.689 -10.563 -2.137 1.00 0.00 C ATOM 101 O THR A 7 12.443 -9.374 -1.910 1.00 0.00 O ATOM 102 CB THR A 7 11.072 -12.390 -1.519 1.00 0.00 C ATOM 103 OG1 THR A 7 11.275 -12.925 -2.796 1.00 0.00 O ATOM 104 CG2 THR A 7 9.819 -11.515 -1.543 1.00 0.00 C ATOM 0 H THR A 7 12.241 -9.997 0.201 1.00 0.00 H new ATOM 0 HA THR A 7 13.166 -12.333 -1.055 1.00 0.00 H new ATOM 0 HB THR A 7 10.903 -13.167 -0.773 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.476 -13.420 -3.074 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.961 -12.117 -1.841 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.645 -11.101 -0.550 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.957 -10.702 -2.256 1.00 0.00 H new ATOM 112 N GLU A 8 13.308 -10.986 -3.230 1.00 0.00 N ATOM 113 CA GLU A 8 13.687 -10.101 -4.312 1.00 0.00 C ATOM 114 C GLU A 8 12.454 -9.429 -4.916 1.00 0.00 C ATOM 115 O GLU A 8 11.294 -9.728 -4.596 1.00 0.00 O ATOM 116 CB GLU A 8 14.469 -10.863 -5.390 1.00 0.00 C ATOM 117 CG GLU A 8 15.662 -11.625 -4.792 1.00 0.00 C ATOM 118 CD GLU A 8 15.930 -12.918 -5.561 1.00 0.00 C ATOM 119 OE1 GLU A 8 15.856 -12.884 -6.809 1.00 0.00 O ATOM 120 OE2 GLU A 8 16.192 -13.932 -4.876 1.00 0.00 O ATOM 0 H GLU A 8 13.561 -11.961 -3.388 1.00 0.00 H new ATOM 0 HA GLU A 8 14.336 -9.325 -3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.805 -11.564 -5.895 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.826 -10.162 -6.145 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.550 -10.993 -4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.463 -11.855 -3.745 1.00 0.00 H new ATOM 127 N SER A 9 12.698 -8.477 -5.807 1.00 0.00 N ATOM 128 CA SER A 9 11.637 -7.747 -6.469 1.00 0.00 C ATOM 129 C SER A 9 10.698 -8.716 -7.181 1.00 0.00 C ATOM 130 O SER A 9 11.122 -9.598 -7.922 1.00 0.00 O ATOM 131 CB SER A 9 12.199 -6.723 -7.465 1.00 0.00 C ATOM 132 OG SER A 9 13.609 -6.574 -7.357 1.00 0.00 O ATOM 0 H SER A 9 13.637 -8.193 -6.087 1.00 0.00 H new ATOM 0 HA SER A 9 11.079 -7.201 -5.708 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.946 -7.032 -8.479 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.721 -5.758 -7.297 1.00 0.00 H new ATOM 0 HG SER A 9 13.919 -5.914 -8.012 1.00 0.00 H new ATOM 138 N GLY A 10 9.398 -8.548 -6.967 1.00 0.00 N ATOM 139 CA GLY A 10 8.418 -9.421 -7.580 1.00 0.00 C ATOM 140 C GLY A 10 7.077 -8.777 -7.481 1.00 0.00 C ATOM 141 O GLY A 10 6.790 -7.909 -8.288 1.00 0.00 O ATOM 0 H GLY A 10 9.004 -7.817 -6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.674 -9.603 -8.624 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.410 -10.390 -7.081 1.00 0.00 H new ATOM 145 N CYS A 11 6.260 -9.154 -6.490 1.00 0.00 N ATOM 146 CA CYS A 11 4.909 -8.640 -6.312 1.00 0.00 C ATOM 147 C CYS A 11 4.890 -7.141 -6.459 1.00 0.00 C ATOM 148 O CYS A 11 4.126 -6.662 -7.254 1.00 0.00 O ATOM 149 CB CYS A 11 4.374 -8.990 -4.948 1.00 0.00 C ATOM 150 SG CYS A 11 4.430 -10.737 -4.541 1.00 0.00 S ATOM 0 H CYS A 11 6.530 -9.836 -5.781 1.00 0.00 H new ATOM 0 HA CYS A 11 4.283 -9.098 -7.078 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.942 -8.439 -4.198 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.341 -8.649 -4.880 1.00 0.00 H new ATOM 155 N TYR A 12 5.803 -6.435 -5.797 1.00 0.00 N ATOM 156 CA TYR A 12 6.008 -5.008 -5.966 1.00 0.00 C ATOM 157 C TYR A 12 5.983 -4.539 -7.411 1.00 0.00 C ATOM 158 O TYR A 12 5.201 -3.670 -7.755 1.00 0.00 O ATOM 159 CB TYR A 12 7.378 -4.682 -5.407 1.00 0.00 C ATOM 160 CG TYR A 12 7.878 -3.293 -5.738 1.00 0.00 C ATOM 161 CD1 TYR A 12 7.127 -2.161 -5.370 1.00 0.00 C ATOM 162 CD2 TYR A 12 9.073 -3.137 -6.464 1.00 0.00 C ATOM 163 CE1 TYR A 12 7.606 -0.877 -5.672 1.00 0.00 C ATOM 164 CE2 TYR A 12 9.531 -1.846 -6.794 1.00 0.00 C ATOM 165 CZ TYR A 12 8.797 -0.712 -6.397 1.00 0.00 C ATOM 166 OH TYR A 12 9.228 0.532 -6.726 1.00 0.00 O ATOM 0 H TYR A 12 6.433 -6.854 -5.113 1.00 0.00 H new ATOM 0 HA TYR A 12 5.188 -4.504 -5.455 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.350 -4.795 -4.323 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.094 -5.412 -5.786 1.00 0.00 H new ATOM 0 HD1 TYR A 12 6.184 -2.280 -4.856 1.00 0.00 H new ATOM 0 HD2 TYR A 12 9.638 -4.006 -6.768 1.00 0.00 H new ATOM 0 HE1 TYR A 12 7.054 -0.009 -5.344 1.00 0.00 H new ATOM 0 HE2 TYR A 12 10.447 -1.726 -7.353 1.00 0.00 H new ATOM 0 HH TYR A 12 10.068 0.466 -7.226 1.00 0.00 H new ATOM 176 N GLN A 13 6.795 -5.176 -8.248 1.00 0.00 N ATOM 177 CA GLN A 13 6.811 -4.895 -9.665 1.00 0.00 C ATOM 178 C GLN A 13 5.441 -5.142 -10.308 1.00 0.00 C ATOM 179 O GLN A 13 5.006 -4.435 -11.193 1.00 0.00 O ATOM 180 CB GLN A 13 7.857 -5.781 -10.350 1.00 0.00 C ATOM 181 CG GLN A 13 7.972 -5.413 -11.838 1.00 0.00 C ATOM 182 CD GLN A 13 9.247 -4.657 -12.171 1.00 0.00 C ATOM 183 OE1 GLN A 13 10.050 -4.271 -11.335 1.00 0.00 O ATOM 184 NE2 GLN A 13 9.545 -4.571 -13.448 1.00 0.00 N ATOM 0 H GLN A 13 7.455 -5.897 -7.957 1.00 0.00 H new ATOM 0 HA GLN A 13 7.061 -3.842 -9.794 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.824 -5.659 -9.862 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.579 -6.830 -10.248 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.931 -6.324 -12.435 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.113 -4.806 -12.123 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.878 -4.892 -14.150 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.443 -4.183 -13.737 1.00 0.00 H new ATOM 193 N GLN A 14 4.739 -6.189 -9.891 1.00 0.00 N ATOM 194 CA GLN A 14 3.377 -6.426 -10.343 1.00 0.00 C ATOM 195 C GLN A 14 2.356 -5.482 -9.707 1.00 0.00 C ATOM 196 O GLN A 14 1.222 -5.400 -10.153 1.00 0.00 O ATOM 197 CB GLN A 14 3.003 -7.883 -10.069 1.00 0.00 C ATOM 198 CG GLN A 14 3.763 -8.821 -11.026 1.00 0.00 C ATOM 199 CD GLN A 14 4.389 -9.988 -10.284 1.00 0.00 C ATOM 200 OE1 GLN A 14 4.321 -11.154 -10.610 1.00 0.00 O ATOM 201 NE2 GLN A 14 5.046 -9.698 -9.201 1.00 0.00 N ATOM 0 H GLN A 14 5.094 -6.888 -9.239 1.00 0.00 H new ATOM 0 HA GLN A 14 3.349 -6.222 -11.413 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.239 -8.138 -9.036 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.929 -8.019 -10.193 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.079 -9.197 -11.787 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.540 -8.260 -11.545 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.124 -8.728 -8.896 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.484 -10.441 -8.656 1.00 0.00 H new ATOM 210 N MET A 15 2.736 -4.794 -8.641 1.00 0.00 N ATOM 211 CA MET A 15 1.905 -3.888 -7.911 1.00 0.00 C ATOM 212 C MET A 15 1.786 -2.617 -8.677 1.00 0.00 C ATOM 213 O MET A 15 0.679 -2.231 -8.911 1.00 0.00 O ATOM 214 CB MET A 15 2.499 -3.526 -6.559 1.00 0.00 C ATOM 215 CG MET A 15 1.423 -3.545 -5.495 1.00 0.00 C ATOM 216 SD MET A 15 1.731 -4.929 -4.440 1.00 0.00 S ATOM 217 CE MET A 15 3.032 -4.204 -3.454 1.00 0.00 C ATOM 0 H MET A 15 3.677 -4.865 -8.255 1.00 0.00 H new ATOM 0 HA MET A 15 0.944 -4.382 -7.765 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.289 -4.231 -6.300 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.956 -2.538 -6.607 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.436 -2.618 -4.922 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.436 -3.624 -5.951 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.902 -4.861 -3.460 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.307 -3.235 -3.870 1.00 0.00 H new ATOM 0 HE3 MET A 15 2.683 -4.073 -2.430 1.00 0.00 H new ATOM 227 N GLU A 16 2.864 -1.926 -9.001 1.00 0.00 N ATOM 228 CA GLU A 16 2.813 -0.688 -9.775 1.00 0.00 C ATOM 229 C GLU A 16 1.972 -0.839 -11.044 1.00 0.00 C ATOM 230 O GLU A 16 1.174 0.034 -11.377 1.00 0.00 O ATOM 231 CB GLU A 16 4.226 -0.262 -10.166 1.00 0.00 C ATOM 232 CG GLU A 16 5.135 -1.449 -10.477 1.00 0.00 C ATOM 233 CD GLU A 16 6.313 -1.083 -11.375 1.00 0.00 C ATOM 234 OE1 GLU A 16 6.186 -0.173 -12.223 1.00 0.00 O ATOM 235 OE2 GLU A 16 7.365 -1.748 -11.222 1.00 0.00 O ATOM 0 H GLU A 16 3.808 -2.206 -8.735 1.00 0.00 H new ATOM 0 HA GLU A 16 2.347 0.069 -9.144 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.176 0.390 -11.038 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.662 0.322 -9.356 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.513 -1.863 -9.543 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.548 -2.232 -10.958 1.00 0.00 H new ATOM 242 N GLU A 17 2.079 -2.002 -11.695 1.00 0.00 N ATOM 243 CA GLU A 17 1.297 -2.295 -12.883 1.00 0.00 C ATOM 244 C GLU A 17 -0.188 -2.451 -12.555 1.00 0.00 C ATOM 245 O GLU A 17 -1.066 -2.190 -13.377 1.00 0.00 O ATOM 246 CB GLU A 17 1.816 -3.574 -13.550 1.00 0.00 C ATOM 247 CG GLU A 17 1.429 -3.577 -15.033 1.00 0.00 C ATOM 248 CD GLU A 17 2.030 -4.791 -15.744 1.00 0.00 C ATOM 249 OE1 GLU A 17 3.212 -4.708 -16.146 1.00 0.00 O ATOM 250 OE2 GLU A 17 1.302 -5.798 -15.909 1.00 0.00 O ATOM 0 H GLU A 17 2.706 -2.755 -11.411 1.00 0.00 H new ATOM 0 HA GLU A 17 1.405 -1.454 -13.567 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.899 -3.636 -13.447 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.398 -4.450 -13.053 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.344 -3.592 -15.131 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.779 -2.660 -15.508 1.00 0.00 H new ATOM 257 N ALA A 18 -0.489 -2.857 -11.326 1.00 0.00 N ATOM 258 CA ALA A 18 -1.830 -3.005 -10.830 1.00 0.00 C ATOM 259 C ALA A 18 -2.000 -2.305 -9.505 1.00 0.00 C ATOM 260 O ALA A 18 -2.447 -2.948 -8.561 1.00 0.00 O ATOM 261 CB ALA A 18 -2.154 -4.501 -10.755 1.00 0.00 C ATOM 0 H ALA A 18 0.223 -3.096 -10.636 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.539 -2.529 -11.508 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.169 -4.635 -10.380 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.073 -4.941 -11.749 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.451 -4.992 -10.082 1.00 0.00 H new ATOM 267 N GLU A 19 -1.633 -1.026 -9.409 1.00 0.00 N ATOM 268 CA GLU A 19 -1.644 -0.230 -8.191 1.00 0.00 C ATOM 269 C GLU A 19 -2.885 -0.533 -7.348 1.00 0.00 C ATOM 270 O GLU A 19 -3.976 0.018 -7.540 1.00 0.00 O ATOM 271 CB GLU A 19 -1.571 1.254 -8.546 1.00 0.00 C ATOM 272 CG GLU A 19 -2.120 1.564 -9.944 1.00 0.00 C ATOM 273 CD GLU A 19 -2.645 2.989 -10.070 1.00 0.00 C ATOM 274 OE1 GLU A 19 -1.841 3.915 -9.834 1.00 0.00 O ATOM 275 OE2 GLU A 19 -3.880 3.130 -10.317 1.00 0.00 O ATOM 0 H GLU A 19 -1.306 -0.497 -10.218 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.772 -0.491 -7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.131 1.827 -7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.534 1.585 -8.487 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.333 1.405 -10.682 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.922 0.864 -10.178 1.00 0.00 H new ATOM 282 N MET A 20 -2.735 -1.480 -6.421 1.00 0.00 N ATOM 283 CA MET A 20 -3.870 -2.034 -5.716 1.00 0.00 C ATOM 284 C MET A 20 -4.039 -1.154 -4.505 1.00 0.00 C ATOM 285 O MET A 20 -5.128 -0.698 -4.176 1.00 0.00 O ATOM 286 CB MET A 20 -3.616 -3.490 -5.318 1.00 0.00 C ATOM 287 CG MET A 20 -2.441 -3.626 -4.354 1.00 0.00 C ATOM 288 SD MET A 20 -2.006 -5.317 -4.071 1.00 0.00 S ATOM 289 CE MET A 20 -0.801 -5.125 -2.755 1.00 0.00 C ATOM 0 H MET A 20 -1.835 -1.873 -6.147 1.00 0.00 H new ATOM 0 HA MET A 20 -4.768 -2.051 -6.333 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.513 -3.900 -4.855 1.00 0.00 H new ATOM 0 HB3 MET A 20 -3.420 -4.081 -6.213 1.00 0.00 H new ATOM 0 HG2 MET A 20 -1.579 -3.093 -4.756 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.694 -3.153 -3.405 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.089 -5.950 -2.790 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.270 -4.182 -2.883 1.00 0.00 H new ATOM 0 HE3 MET A 20 -1.311 -5.127 -1.792 1.00 0.00 H new ATOM 299 N LEU A 21 -2.926 -0.832 -3.840 1.00 0.00 N ATOM 300 CA LEU A 21 -2.935 -0.060 -2.627 1.00 0.00 C ATOM 301 C LEU A 21 -2.492 1.335 -2.988 1.00 0.00 C ATOM 302 O LEU A 21 -1.609 1.908 -2.369 1.00 0.00 O ATOM 303 CB LEU A 21 -2.082 -0.752 -1.565 1.00 0.00 C ATOM 304 CG LEU A 21 -2.837 -1.572 -0.521 1.00 0.00 C ATOM 305 CD1 LEU A 21 -3.408 -0.735 0.621 1.00 0.00 C ATOM 306 CD2 LEU A 21 -3.957 -2.334 -1.138 1.00 0.00 C ATOM 0 H LEU A 21 -1.993 -1.110 -4.144 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.926 0.014 -2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.374 -1.409 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.498 0.008 -1.046 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.090 -2.249 -0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.930 -1.385 1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.597 -0.222 1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.106 0.000 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.474 -2.907 -0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.656 -1.640 -1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.562 -3.014 -1.893 1.00 0.00 H new ATOM 318 N ASN A 22 -3.153 1.898 -3.995 1.00 0.00 N ATOM 319 CA ASN A 22 -2.865 3.250 -4.421 1.00 0.00 C ATOM 320 C ASN A 22 -4.065 4.144 -4.151 1.00 0.00 C ATOM 321 O ASN A 22 -3.949 5.278 -3.698 1.00 0.00 O ATOM 322 CB ASN A 22 -2.542 3.270 -5.910 1.00 0.00 C ATOM 323 CG ASN A 22 -2.396 4.688 -6.437 1.00 0.00 C ATOM 324 OD1 ASN A 22 -3.015 5.084 -7.397 1.00 0.00 O ATOM 325 ND2 ASN A 22 -1.780 5.533 -5.639 1.00 0.00 N ATOM 0 H ASN A 22 -3.890 1.434 -4.526 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.005 3.619 -3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.619 2.719 -6.089 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.331 2.757 -6.460 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.821 6.535 -5.827 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.261 5.187 -4.832 1.00 0.00 H new ATOM 332 N HIS A 23 -5.261 3.590 -4.354 1.00 0.00 N ATOM 333 CA HIS A 23 -6.488 4.334 -4.174 1.00 0.00 C ATOM 334 C HIS A 23 -6.872 4.333 -2.708 1.00 0.00 C ATOM 335 O HIS A 23 -7.187 5.384 -2.160 1.00 0.00 O ATOM 336 CB HIS A 23 -7.603 3.719 -5.015 1.00 0.00 C ATOM 337 CG HIS A 23 -7.277 3.580 -6.481 1.00 0.00 C ATOM 338 ND1 HIS A 23 -7.974 4.202 -7.495 1.00 0.00 N ATOM 339 CD2 HIS A 23 -6.280 2.830 -7.054 1.00 0.00 C ATOM 340 CE1 HIS A 23 -7.400 3.842 -8.664 1.00 0.00 C ATOM 341 NE2 HIS A 23 -6.363 3.008 -8.423 1.00 0.00 N ATOM 0 H HIS A 23 -5.396 2.622 -4.645 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.336 5.363 -4.501 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.842 2.734 -4.614 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.499 4.331 -4.911 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.563 2.214 -6.532 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.720 4.170 -9.642 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.753 2.587 -9.124 1.00 0.00 H new ATOM 350 N CYS A 24 -6.781 3.159 -2.065 1.00 0.00 N ATOM 351 CA CYS A 24 -7.010 3.061 -0.638 1.00 0.00 C ATOM 352 C CYS A 24 -5.998 3.912 0.116 1.00 0.00 C ATOM 353 O CYS A 24 -6.240 4.225 1.259 1.00 0.00 O ATOM 354 CB CYS A 24 -6.927 1.602 -0.170 1.00 0.00 C ATOM 355 SG CYS A 24 -8.519 0.874 0.258 1.00 0.00 S ATOM 0 H CYS A 24 -6.551 2.275 -2.519 1.00 0.00 H new ATOM 0 HA CYS A 24 -8.013 3.432 -0.427 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.467 1.005 -0.957 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.270 1.547 0.698 1.00 0.00 H new ATOM 360 N GLY A 25 -4.897 4.305 -0.521 1.00 0.00 N ATOM 361 CA GLY A 25 -3.921 5.177 0.049 1.00 0.00 C ATOM 362 C GLY A 25 -4.407 6.597 0.087 1.00 0.00 C ATOM 363 O GLY A 25 -4.225 7.220 1.108 1.00 0.00 O ATOM 0 H GLY A 25 -4.671 4.008 -1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.682 4.846 1.060 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.000 5.122 -0.531 1.00 0.00 H new ATOM 367 N MET A 26 -5.056 7.098 -0.960 1.00 0.00 N ATOM 368 CA MET A 26 -5.557 8.456 -1.017 1.00 0.00 C ATOM 369 C MET A 26 -6.495 8.732 0.131 1.00 0.00 C ATOM 370 O MET A 26 -6.359 9.761 0.747 1.00 0.00 O ATOM 371 CB MET A 26 -6.330 8.655 -2.312 1.00 0.00 C ATOM 372 CG MET A 26 -6.376 10.127 -2.694 1.00 0.00 C ATOM 373 SD MET A 26 -7.341 10.319 -4.206 1.00 0.00 S ATOM 374 CE MET A 26 -8.133 11.888 -3.803 1.00 0.00 C ATOM 0 H MET A 26 -5.249 6.558 -1.804 1.00 0.00 H new ATOM 0 HA MET A 26 -4.705 9.134 -0.962 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.862 8.082 -3.112 1.00 0.00 H new ATOM 0 HB3 MET A 26 -7.344 8.273 -2.198 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.821 10.710 -1.888 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.366 10.508 -2.843 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.863 12.136 -4.574 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.636 11.805 -2.840 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.379 12.674 -3.752 1.00 0.00 H new ATOM 384 N TYR A 27 -7.372 7.792 0.474 1.00 0.00 N ATOM 385 CA TYR A 27 -8.283 7.918 1.597 1.00 0.00 C ATOM 386 C TYR A 27 -7.544 8.145 2.912 1.00 0.00 C ATOM 387 O TYR A 27 -8.003 8.860 3.793 1.00 0.00 O ATOM 388 CB TYR A 27 -9.063 6.607 1.672 1.00 0.00 C ATOM 389 CG TYR A 27 -9.943 6.472 2.895 1.00 0.00 C ATOM 390 CD1 TYR A 27 -10.964 7.410 3.128 1.00 0.00 C ATOM 391 CD2 TYR A 27 -9.735 5.418 3.803 1.00 0.00 C ATOM 392 CE1 TYR A 27 -11.780 7.293 4.272 1.00 0.00 C ATOM 393 CE2 TYR A 27 -10.541 5.300 4.952 1.00 0.00 C ATOM 394 CZ TYR A 27 -11.568 6.239 5.183 1.00 0.00 C ATOM 395 OH TYR A 27 -12.349 6.115 6.285 1.00 0.00 O ATOM 0 H TYR A 27 -7.467 6.911 -0.031 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.934 8.780 1.448 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.684 6.516 0.781 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.357 5.777 1.654 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -11.123 8.220 2.431 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.954 4.696 3.618 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -12.567 8.011 4.450 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.374 4.495 5.652 1.00 0.00 H new ATOM 0 HH TYR A 27 -12.064 5.332 6.802 1.00 0.00 H new ATOM 405 N LEU A 28 -6.362 7.553 3.032 1.00 0.00 N ATOM 406 CA LEU A 28 -5.549 7.663 4.222 1.00 0.00 C ATOM 407 C LEU A 28 -4.615 8.849 4.072 1.00 0.00 C ATOM 408 O LEU A 28 -4.262 9.462 5.063 1.00 0.00 O ATOM 409 CB LEU A 28 -4.783 6.358 4.485 1.00 0.00 C ATOM 410 CG LEU A 28 -5.551 5.077 4.127 1.00 0.00 C ATOM 411 CD1 LEU A 28 -4.587 3.956 3.741 1.00 0.00 C ATOM 412 CD2 LEU A 28 -6.493 4.659 5.236 1.00 0.00 C ATOM 0 H LEU A 28 -5.944 6.981 2.298 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.187 7.829 5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.853 6.378 3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.511 6.319 5.540 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.172 5.291 3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.153 3.059 3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.997 4.264 2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.922 3.744 4.578 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.017 3.749 4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.923 4.473 6.147 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.217 5.453 5.417 1.00 0.00 H new ATOM 424 N MET A 29 -4.280 9.231 2.842 1.00 0.00 N ATOM 425 CA MET A 29 -3.439 10.343 2.492 1.00 0.00 C ATOM 426 C MET A 29 -4.241 11.605 2.243 1.00 0.00 C ATOM 427 O MET A 29 -3.689 12.612 1.816 1.00 0.00 O ATOM 428 CB MET A 29 -2.580 9.999 1.283 1.00 0.00 C ATOM 429 CG MET A 29 -1.123 10.371 1.509 1.00 0.00 C ATOM 430 SD MET A 29 -0.586 11.702 0.433 1.00 0.00 S ATOM 431 CE MET A 29 -0.815 10.866 -1.160 1.00 0.00 C ATOM 0 H MET A 29 -4.617 8.731 2.019 1.00 0.00 H new ATOM 0 HA MET A 29 -2.786 10.541 3.342 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.656 8.932 1.074 1.00 0.00 H new ATOM 0 HB3 MET A 29 -2.958 10.524 0.406 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.983 10.668 2.548 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.496 9.495 1.341 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.037 11.185 -1.854 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.753 9.787 -1.017 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.793 11.122 -1.568 1.00 0.00 H new ATOM 441 N LYS A 30 -5.533 11.564 2.548 1.00 0.00 N ATOM 442 CA LYS A 30 -6.418 12.681 2.342 1.00 0.00 C ATOM 443 C LYS A 30 -6.367 13.545 3.582 1.00 0.00 C ATOM 444 O LYS A 30 -6.736 14.694 3.552 1.00 0.00 O ATOM 445 CB LYS A 30 -7.847 12.193 2.069 1.00 0.00 C ATOM 446 CG LYS A 30 -8.733 13.357 1.609 1.00 0.00 C ATOM 447 CD LYS A 30 -9.883 13.572 2.596 1.00 0.00 C ATOM 448 CE LYS A 30 -10.311 15.039 2.620 1.00 0.00 C ATOM 449 NZ LYS A 30 -10.020 15.632 3.939 1.00 0.00 N ATOM 0 H LYS A 30 -5.989 10.744 2.948 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.105 13.259 1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.832 11.415 1.305 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.264 11.746 2.971 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.138 14.267 1.530 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.131 13.149 0.616 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.730 12.946 2.316 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.574 13.262 3.594 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.786 15.592 1.841 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.377 15.118 2.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.642 16.593 3.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.894 15.675 4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.318 15.047 4.436 1.00 0.00 H new ATOM 463 N ASN A 31 -5.901 13.024 4.708 1.00 0.00 N ATOM 464 CA ASN A 31 -5.711 13.807 5.912 1.00 0.00 C ATOM 465 C ASN A 31 -4.229 13.982 6.203 1.00 0.00 C ATOM 466 O ASN A 31 -3.865 14.676 7.148 1.00 0.00 O ATOM 467 CB ASN A 31 -6.380 13.076 7.077 1.00 0.00 C ATOM 468 CG ASN A 31 -7.842 13.438 7.204 1.00 0.00 C ATOM 469 OD1 ASN A 31 -8.617 13.334 6.275 1.00 0.00 O ATOM 470 ND2 ASN A 31 -8.226 13.914 8.366 1.00 0.00 N ATOM 0 H ASN A 31 -5.644 12.042 4.809 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.155 14.794 5.779 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.284 12.000 6.934 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.863 13.322 8.005 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.194 14.206 8.503 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.557 13.992 9.132 1.00 0.00 H new ATOM 477 N LEU A 32 -3.376 13.287 5.443 1.00 0.00 N ATOM 478 CA LEU A 32 -1.945 13.402 5.604 1.00 0.00 C ATOM 479 C LEU A 32 -1.419 14.668 4.930 1.00 0.00 C ATOM 480 O LEU A 32 -0.342 15.140 5.272 1.00 0.00 O ATOM 481 CB LEU A 32 -1.274 12.143 5.050 1.00 0.00 C ATOM 482 CG LEU A 32 -1.560 10.895 5.884 1.00 0.00 C ATOM 483 CD1 LEU A 32 -1.142 9.647 5.124 1.00 0.00 C ATOM 484 CD2 LEU A 32 -0.836 10.979 7.205 1.00 0.00 C ATOM 0 H LEU A 32 -3.666 12.639 4.710 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.704 13.487 6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.615 11.976 4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.197 12.303 5.004 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.631 10.837 6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.351 8.765 5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.700 9.586 4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.075 9.693 4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.046 10.085 7.792 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.237 11.053 7.028 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.175 11.860 7.750 1.00 0.00 H new ATOM 496 N GLY A 33 -2.193 15.238 4.007 1.00 0.00 N ATOM 497 CA GLY A 33 -1.822 16.447 3.305 1.00 0.00 C ATOM 498 C GLY A 33 -2.969 16.941 2.449 1.00 0.00 C ATOM 499 O GLY A 33 -2.969 16.762 1.237 1.00 0.00 O ATOM 0 H GLY A 33 -3.100 14.864 3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.538 17.217 4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.950 16.257 2.679 1.00 0.00 H new ATOM 503 N GLU A 34 -3.961 17.556 3.087 1.00 0.00 N ATOM 504 CA GLU A 34 -5.097 18.112 2.369 1.00 0.00 C ATOM 505 C GLU A 34 -5.700 19.252 3.153 1.00 0.00 C ATOM 506 O GLU A 34 -5.822 19.159 4.380 1.00 0.00 O ATOM 507 CB GLU A 34 -6.138 17.036 2.119 1.00 0.00 C ATOM 508 CG GLU A 34 -7.005 17.341 0.897 1.00 0.00 C ATOM 509 CD GLU A 34 -8.305 18.060 1.284 1.00 0.00 C ATOM 510 OE1 GLU A 34 -8.899 17.716 2.337 1.00 0.00 O ATOM 511 OE2 GLU A 34 -8.663 18.984 0.523 1.00 0.00 O ATOM 0 H GLU A 34 -3.999 17.680 4.099 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.752 18.493 1.408 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.640 16.077 1.978 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.775 16.938 2.998 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.442 17.959 0.198 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.244 16.412 0.380 1.00 0.00 H new ATOM 518 N ARG A 35 -5.968 20.369 2.469 1.00 0.00 N ATOM 519 CA ARG A 35 -6.561 21.544 3.078 1.00 0.00 C ATOM 520 C ARG A 35 -7.886 21.162 3.731 1.00 0.00 C ATOM 521 O ARG A 35 -8.922 21.246 3.097 1.00 0.00 O ATOM 522 CB ARG A 35 -6.751 22.652 2.026 1.00 0.00 C ATOM 523 CG ARG A 35 -5.947 23.892 2.410 1.00 0.00 C ATOM 524 CD ARG A 35 -6.303 25.066 1.493 1.00 0.00 C ATOM 525 NE ARG A 35 -5.179 26.004 1.369 1.00 0.00 N ATOM 526 CZ ARG A 35 -4.194 25.870 0.503 1.00 0.00 C ATOM 527 NH1 ARG A 35 -4.170 24.870 -0.337 1.00 0.00 N ATOM 528 NH2 ARG A 35 -3.218 26.736 0.483 1.00 0.00 N ATOM 0 H ARG A 35 -5.775 20.475 1.473 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.896 21.933 3.849 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.432 22.292 1.048 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.808 22.907 1.943 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.151 24.158 3.447 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.881 23.678 2.339 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.577 24.691 0.507 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.174 25.588 1.888 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.159 26.811 1.993 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.920 24.179 -0.329 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.401 24.780 -1.001 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.216 27.518 1.138 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.457 26.631 -0.188 1.00 0.00 H new ATOM 542 N SER A 36 -7.847 20.850 5.028 1.00 0.00 N ATOM 543 CA SER A 36 -9.035 20.428 5.751 1.00 0.00 C ATOM 544 C SER A 36 -10.101 21.499 5.623 1.00 0.00 C ATOM 545 O SER A 36 -11.275 21.162 5.543 1.00 0.00 O ATOM 546 CB SER A 36 -8.700 20.221 7.228 1.00 0.00 C ATOM 547 OG SER A 36 -9.850 19.965 8.005 1.00 0.00 O ATOM 0 H SER A 36 -7.000 20.884 5.595 1.00 0.00 H new ATOM 0 HA SER A 36 -9.399 19.490 5.332 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.004 19.388 7.328 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.194 21.107 7.612 1.00 0.00 H new ATOM 0 HG SER A 36 -9.590 19.837 8.941 1.00 0.00 H new ATOM 553 N GLN A 37 -9.668 22.776 5.580 1.00 0.00 N ATOM 554 CA GLN A 37 -10.548 23.905 5.368 1.00 0.00 C ATOM 555 C GLN A 37 -11.660 23.580 4.366 1.00 0.00 C ATOM 556 O GLN A 37 -11.419 23.226 3.217 1.00 0.00 O ATOM 557 CB GLN A 37 -9.770 25.144 4.922 1.00 0.00 C ATOM 558 CG GLN A 37 -9.004 24.886 3.626 1.00 0.00 C ATOM 559 CD GLN A 37 -9.538 25.734 2.481 1.00 0.00 C ATOM 560 OE1 GLN A 37 -10.295 25.339 1.619 1.00 0.00 O ATOM 561 NE2 GLN A 37 -9.067 26.958 2.410 1.00 0.00 N ATOM 0 H GLN A 37 -8.688 23.037 5.694 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.017 24.124 6.327 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -10.459 25.976 4.779 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.072 25.439 5.706 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.947 25.103 3.778 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.078 23.831 3.363 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.430 27.302 3.129 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.338 27.565 1.636 1.00 0.00 H new ATOM 570 N VAL A 38 -12.895 23.681 4.828 1.00 0.00 N ATOM 571 CA VAL A 38 -14.047 23.338 4.019 1.00 0.00 C ATOM 572 C VAL A 38 -15.149 24.332 4.336 1.00 0.00 C ATOM 573 O VAL A 38 -15.541 24.528 5.481 1.00 0.00 O ATOM 574 CB VAL A 38 -14.450 21.873 4.231 1.00 0.00 C ATOM 575 CG1 VAL A 38 -14.931 21.612 5.659 1.00 0.00 C ATOM 576 CG2 VAL A 38 -15.522 21.484 3.211 1.00 0.00 C ATOM 0 H VAL A 38 -13.124 24.001 5.769 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.819 23.412 2.956 1.00 0.00 H new ATOM 0 HB VAL A 38 -13.567 21.251 4.080 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.206 20.563 5.764 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.132 21.850 6.361 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -15.798 22.237 5.871 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -15.808 20.443 3.362 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -16.396 22.123 3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.127 21.609 2.203 1.00 0.00 H new ATOM 586 N SER A 39 -15.549 25.093 3.327 1.00 0.00 N ATOM 587 CA SER A 39 -16.661 26.024 3.468 1.00 0.00 C ATOM 588 C SER A 39 -17.997 25.276 3.558 1.00 0.00 C ATOM 589 O SER A 39 -18.781 25.521 4.480 1.00 0.00 O ATOM 590 CB SER A 39 -16.664 27.030 2.301 1.00 0.00 C ATOM 591 OG SER A 39 -17.935 27.158 1.670 1.00 0.00 O ATOM 0 H SER A 39 -15.120 25.084 2.401 1.00 0.00 H new ATOM 0 HA SER A 39 -16.533 26.578 4.398 1.00 0.00 H new ATOM 0 HB2 SER A 39 -16.350 28.006 2.671 1.00 0.00 H new ATOM 0 HB3 SER A 39 -15.928 26.718 1.560 1.00 0.00 H new ATOM 0 HG SER A 39 -17.874 27.810 0.941 1.00 0.00 H new ATOM 597 N PRO A 40 -18.299 24.430 2.542 1.00 0.00 N ATOM 598 CA PRO A 40 -19.538 23.684 2.483 1.00 0.00 C ATOM 599 C PRO A 40 -19.522 22.544 3.482 1.00 0.00 C ATOM 600 O PRO A 40 -18.737 22.545 4.416 1.00 0.00 O ATOM 601 CB PRO A 40 -19.688 23.218 1.032 1.00 0.00 C ATOM 602 CG PRO A 40 -18.293 23.305 0.416 1.00 0.00 C ATOM 603 CD PRO A 40 -17.464 24.132 1.377 1.00 0.00 C ATOM 0 HA PRO A 40 -20.400 24.291 2.761 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -20.072 22.199 0.987 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -20.394 23.848 0.491 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -17.862 22.313 0.283 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -18.329 23.771 -0.569 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -16.569 23.587 1.677 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -17.131 25.053 0.900 1.00 0.00 H new ATOM 611 N ARG A 41 -20.456 21.598 3.314 1.00 0.00 N ATOM 612 CA ARG A 41 -20.543 20.425 4.154 1.00 0.00 C ATOM 613 C ARG A 41 -19.172 19.776 4.241 1.00 0.00 C ATOM 614 O ARG A 41 -18.458 19.979 5.210 1.00 0.00 O ATOM 615 CB ARG A 41 -21.609 19.446 3.630 1.00 0.00 C ATOM 616 CG ARG A 41 -22.818 19.411 4.559 1.00 0.00 C ATOM 617 CD ARG A 41 -23.857 20.438 4.111 1.00 0.00 C ATOM 618 NE ARG A 41 -24.740 20.819 5.224 1.00 0.00 N ATOM 619 CZ ARG A 41 -25.634 21.788 5.199 1.00 0.00 C ATOM 620 NH1 ARG A 41 -25.810 22.500 4.118 1.00 0.00 N ATOM 621 NH2 ARG A 41 -26.363 22.045 6.251 1.00 0.00 N ATOM 0 H ARG A 41 -21.169 21.637 2.585 1.00 0.00 H new ATOM 0 HA ARG A 41 -20.856 20.717 5.156 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -21.922 19.744 2.630 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -21.181 18.447 3.545 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -23.258 18.414 4.558 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -22.506 19.621 5.582 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -23.354 21.323 3.723 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -24.452 20.026 3.296 1.00 0.00 H new ATOM 0 HE ARG A 41 -24.653 20.288 6.090 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -25.254 22.308 3.285 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -26.504 23.248 4.107 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -26.243 21.494 7.101 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -27.052 22.796 6.223 1.00 0.00 H new ATOM 635 N MET A 42 -18.854 18.946 3.254 1.00 0.00 N ATOM 636 CA MET A 42 -17.642 18.154 3.254 1.00 0.00 C ATOM 637 C MET A 42 -17.291 17.811 1.829 1.00 0.00 C ATOM 638 O MET A 42 -17.833 18.459 0.926 1.00 0.00 O ATOM 639 CB MET A 42 -17.800 16.875 4.078 1.00 0.00 C ATOM 640 CG MET A 42 -18.606 17.080 5.348 1.00 0.00 C ATOM 641 SD MET A 42 -18.787 15.566 6.280 1.00 0.00 S ATOM 642 CE MET A 42 -20.120 16.077 7.374 1.00 0.00 C ATOM 0 H MET A 42 -19.437 18.807 2.429 1.00 0.00 H new ATOM 0 HA MET A 42 -16.844 18.737 3.713 1.00 0.00 H new ATOM 0 HB2 MET A 42 -18.284 16.114 3.467 1.00 0.00 H new ATOM 0 HB3 MET A 42 -16.813 16.494 4.339 1.00 0.00 H new ATOM 0 HG2 MET A 42 -18.119 17.832 5.969 1.00 0.00 H new ATOM 0 HG3 MET A 42 -19.592 17.468 5.093 1.00 0.00 H new ATOM 0 HE1 MET A 42 -20.378 15.255 8.042 1.00 0.00 H new ATOM 0 HE2 MET A 42 -19.798 16.936 7.963 1.00 0.00 H new ATOM 0 HE3 MET A 42 -20.993 16.351 6.781 1.00 0.00 H new ATOM 652 N ARG A 43 -16.451 16.795 1.628 1.00 0.00 N ATOM 653 CA ARG A 43 -16.013 16.299 0.338 1.00 0.00 C ATOM 654 C ARG A 43 -14.830 15.371 0.476 1.00 0.00 C ATOM 655 O ARG A 43 -13.787 15.792 0.966 1.00 0.00 O ATOM 656 CB ARG A 43 -15.569 17.475 -0.539 1.00 0.00 C ATOM 657 CG ARG A 43 -16.577 17.679 -1.672 1.00 0.00 C ATOM 658 CD ARG A 43 -16.904 19.166 -1.858 1.00 0.00 C ATOM 659 NE ARG A 43 -15.889 19.832 -2.686 1.00 0.00 N ATOM 660 CZ ARG A 43 -15.743 19.658 -3.985 1.00 0.00 C ATOM 661 NH1 ARG A 43 -16.557 18.884 -4.659 1.00 0.00 N ATOM 662 NH2 ARG A 43 -14.798 20.282 -4.630 1.00 0.00 N ATOM 0 H ARG A 43 -16.042 16.275 2.404 1.00 0.00 H new ATOM 0 HA ARG A 43 -16.851 15.761 -0.106 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -15.493 18.381 0.062 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.578 17.281 -0.950 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -16.173 17.273 -2.600 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -17.491 17.127 -1.454 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -17.884 19.270 -2.324 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.961 19.653 -0.885 1.00 0.00 H new ATOM 0 HE ARG A 43 -15.250 20.477 -2.221 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -17.319 18.404 -4.179 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -16.429 18.761 -5.663 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.167 20.908 -4.130 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.689 20.144 -5.635 1.00 0.00 H new ATOM 676 N GLU A 44 -14.950 14.190 -0.122 1.00 0.00 N ATOM 677 CA GLU A 44 -13.927 13.156 -0.018 1.00 0.00 C ATOM 678 C GLU A 44 -14.451 11.842 -0.573 1.00 0.00 C ATOM 679 O GLU A 44 -15.452 11.295 -0.116 1.00 0.00 O ATOM 680 CB GLU A 44 -13.431 12.951 1.425 1.00 0.00 C ATOM 681 CG GLU A 44 -14.588 12.900 2.444 1.00 0.00 C ATOM 682 CD GLU A 44 -14.504 14.026 3.487 1.00 0.00 C ATOM 683 OE1 GLU A 44 -13.776 13.854 4.485 1.00 0.00 O ATOM 684 OE2 GLU A 44 -15.193 15.060 3.323 1.00 0.00 O ATOM 0 H GLU A 44 -15.755 13.924 -0.689 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.075 13.496 -0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.860 12.024 1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.752 13.761 1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -15.538 12.970 1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.577 11.936 2.953 1.00 0.00 H new ATOM 691 N GLU A 45 -13.841 11.390 -1.662 1.00 0.00 N ATOM 692 CA GLU A 45 -14.199 10.112 -2.257 1.00 0.00 C ATOM 693 C GLU A 45 -13.927 8.929 -1.315 1.00 0.00 C ATOM 694 O GLU A 45 -13.469 9.068 -0.186 1.00 0.00 O ATOM 695 CB GLU A 45 -13.459 9.920 -3.584 1.00 0.00 C ATOM 696 CG GLU A 45 -11.968 10.271 -3.453 1.00 0.00 C ATOM 697 CD GLU A 45 -11.695 11.667 -4.012 1.00 0.00 C ATOM 698 OE1 GLU A 45 -12.308 12.039 -5.036 1.00 0.00 O ATOM 699 OE2 GLU A 45 -10.870 12.356 -3.396 1.00 0.00 O ATOM 0 H GLU A 45 -13.097 11.890 -2.149 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.273 10.132 -2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.563 8.886 -3.914 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.915 10.546 -4.350 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.669 10.227 -2.406 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.367 9.535 -3.987 1.00 0.00 H new ATOM 706 N ASP A 46 -14.139 7.715 -1.818 1.00 0.00 N ATOM 707 CA ASP A 46 -13.926 6.509 -1.041 1.00 0.00 C ATOM 708 C ASP A 46 -13.642 5.353 -1.982 1.00 0.00 C ATOM 709 O ASP A 46 -14.510 4.872 -2.715 1.00 0.00 O ATOM 710 CB ASP A 46 -15.169 6.206 -0.197 1.00 0.00 C ATOM 711 CG ASP A 46 -15.090 4.846 0.508 1.00 0.00 C ATOM 712 OD1 ASP A 46 -14.007 4.514 1.046 1.00 0.00 O ATOM 713 OD2 ASP A 46 -16.057 4.061 0.403 1.00 0.00 O ATOM 0 H ASP A 46 -14.461 7.546 -2.771 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.076 6.650 -0.373 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.296 6.990 0.549 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.051 6.228 -0.837 1.00 0.00 H new ATOM 718 N HIS A 47 -12.380 4.939 -2.067 1.00 0.00 N ATOM 719 CA HIS A 47 -11.994 3.832 -2.923 1.00 0.00 C ATOM 720 C HIS A 47 -11.518 2.697 -2.046 1.00 0.00 C ATOM 721 O HIS A 47 -10.316 2.445 -1.965 1.00 0.00 O ATOM 722 CB HIS A 47 -10.949 4.300 -3.934 1.00 0.00 C ATOM 723 CG HIS A 47 -11.290 5.601 -4.606 1.00 0.00 C ATOM 724 ND1 HIS A 47 -12.486 5.858 -5.251 1.00 0.00 N ATOM 725 CD2 HIS A 47 -10.508 6.725 -4.668 1.00 0.00 C ATOM 726 CE1 HIS A 47 -12.433 7.123 -5.710 1.00 0.00 C ATOM 727 NE2 HIS A 47 -11.231 7.652 -5.397 1.00 0.00 N ATOM 0 H HIS A 47 -11.608 5.359 -1.549 1.00 0.00 H new ATOM 0 HA HIS A 47 -12.838 3.466 -3.508 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -9.989 4.405 -3.428 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -10.825 3.531 -4.696 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -13.265 5.209 -5.359 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.527 6.859 -4.236 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.223 7.632 -6.242 1.00 0.00 H new ATOM 736 N LYS A 48 -12.463 1.966 -1.461 1.00 0.00 N ATOM 737 CA LYS A 48 -12.161 0.799 -0.641 1.00 0.00 C ATOM 738 C LYS A 48 -12.455 -0.486 -1.390 1.00 0.00 C ATOM 739 O LYS A 48 -12.031 -1.559 -0.984 1.00 0.00 O ATOM 740 CB LYS A 48 -12.913 0.897 0.684 1.00 0.00 C ATOM 741 CG LYS A 48 -12.149 0.153 1.791 1.00 0.00 C ATOM 742 CD LYS A 48 -12.637 0.598 3.174 1.00 0.00 C ATOM 743 CE LYS A 48 -12.870 -0.614 4.088 1.00 0.00 C ATOM 744 NZ LYS A 48 -14.306 -0.750 4.415 1.00 0.00 N ATOM 0 H LYS A 48 -13.460 2.167 -1.543 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.095 0.779 -0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -13.039 1.944 0.961 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.911 0.473 0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.289 -0.922 1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.081 0.347 1.696 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.902 1.264 3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.562 1.165 3.073 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.516 -1.520 3.597 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.292 -0.502 5.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.445 -1.574 5.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.634 0.108 4.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.851 -0.879 3.539 1.00 0.00 H new ATOM 758 N GLN A 49 -13.100 -0.360 -2.549 1.00 0.00 N ATOM 759 CA GLN A 49 -13.413 -1.489 -3.389 1.00 0.00 C ATOM 760 C GLN A 49 -12.442 -1.561 -4.550 1.00 0.00 C ATOM 761 O GLN A 49 -12.261 -2.627 -5.096 1.00 0.00 O ATOM 762 CB GLN A 49 -14.844 -1.367 -3.915 1.00 0.00 C ATOM 763 CG GLN A 49 -15.523 -2.741 -3.886 1.00 0.00 C ATOM 764 CD GLN A 49 -16.791 -2.767 -4.724 1.00 0.00 C ATOM 765 OE1 GLN A 49 -16.917 -2.117 -5.747 1.00 0.00 O ATOM 766 NE2 GLN A 49 -17.768 -3.527 -4.283 1.00 0.00 N ATOM 0 H GLN A 49 -13.416 0.535 -2.923 1.00 0.00 H new ATOM 0 HA GLN A 49 -13.326 -2.401 -2.799 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.407 -0.659 -3.306 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.836 -0.976 -4.932 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.829 -3.496 -4.255 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -15.763 -3.005 -2.856 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -17.648 -4.065 -3.425 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -18.647 -3.579 -4.799 1.00 0.00 H new ATOM 775 N LEU A 50 -11.781 -0.453 -4.899 1.00 0.00 N ATOM 776 CA LEU A 50 -10.788 -0.434 -5.953 1.00 0.00 C ATOM 777 C LEU A 50 -9.482 -1.031 -5.434 1.00 0.00 C ATOM 778 O LEU A 50 -8.733 -1.614 -6.185 1.00 0.00 O ATOM 779 CB LEU A 50 -10.594 1.013 -6.433 1.00 0.00 C ATOM 780 CG LEU A 50 -11.549 1.406 -7.576 1.00 0.00 C ATOM 781 CD1 LEU A 50 -11.563 2.930 -7.740 1.00 0.00 C ATOM 782 CD2 LEU A 50 -11.139 0.729 -8.886 1.00 0.00 C ATOM 0 H LEU A 50 -11.927 0.452 -4.452 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.119 -1.036 -6.799 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.745 1.691 -5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.565 1.143 -6.767 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.554 1.067 -7.323 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.240 3.203 -8.550 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.901 3.393 -6.813 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.558 3.280 -7.974 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -11.828 1.022 -9.678 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.128 1.036 -9.153 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.169 -0.353 -8.761 1.00 0.00 H new ATOM 794 N CYS A 51 -9.208 -0.920 -4.135 1.00 0.00 N ATOM 795 CA CYS A 51 -8.035 -1.522 -3.548 1.00 0.00 C ATOM 796 C CYS A 51 -8.293 -2.987 -3.308 1.00 0.00 C ATOM 797 O CYS A 51 -7.556 -3.797 -3.856 1.00 0.00 O ATOM 798 CB CYS A 51 -7.643 -0.795 -2.267 1.00 0.00 C ATOM 799 SG CYS A 51 -8.992 -0.583 -1.094 1.00 0.00 S ATOM 0 H CYS A 51 -9.794 -0.412 -3.473 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.193 -1.431 -4.235 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.838 -1.347 -1.782 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.245 0.186 -2.527 1.00 0.00 H new ATOM 804 N CYS A 52 -9.395 -3.321 -2.614 1.00 0.00 N ATOM 805 CA CYS A 52 -9.765 -4.707 -2.358 1.00 0.00 C ATOM 806 C CYS A 52 -9.931 -5.473 -3.678 1.00 0.00 C ATOM 807 O CYS A 52 -9.902 -6.697 -3.694 1.00 0.00 O ATOM 808 CB CYS A 52 -11.040 -4.776 -1.511 1.00 0.00 C ATOM 809 SG CYS A 52 -11.232 -6.320 -0.554 1.00 0.00 S ATOM 0 H CYS A 52 -10.043 -2.638 -2.222 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.963 -5.183 -1.794 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -11.048 -3.932 -0.821 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.903 -4.660 -2.167 1.00 0.00 H new ATOM 814 N MET A 53 -10.084 -4.734 -4.785 1.00 0.00 N ATOM 815 CA MET A 53 -10.191 -5.279 -6.104 1.00 0.00 C ATOM 816 C MET A 53 -8.845 -5.763 -6.579 1.00 0.00 C ATOM 817 O MET A 53 -8.609 -6.957 -6.566 1.00 0.00 O ATOM 818 CB MET A 53 -10.726 -4.234 -7.080 1.00 0.00 C ATOM 819 CG MET A 53 -10.643 -4.717 -8.524 1.00 0.00 C ATOM 820 SD MET A 53 -11.485 -6.305 -8.716 1.00 0.00 S ATOM 821 CE MET A 53 -10.090 -7.322 -9.248 1.00 0.00 C ATOM 0 H MET A 53 -10.136 -3.716 -4.765 1.00 0.00 H new ATOM 0 HA MET A 53 -10.887 -6.117 -6.067 1.00 0.00 H new ATOM 0 HB2 MET A 53 -11.762 -4.002 -6.833 1.00 0.00 H new ATOM 0 HB3 MET A 53 -10.158 -3.310 -6.972 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.094 -3.978 -9.186 1.00 0.00 H new ATOM 0 HG3 MET A 53 -9.599 -4.815 -8.820 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.341 -7.823 -10.183 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.215 -6.690 -9.398 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.872 -8.068 -8.484 1.00 0.00 H new ATOM 831 N GLN A 54 -7.976 -4.864 -7.051 1.00 0.00 N ATOM 832 CA GLN A 54 -6.697 -5.229 -7.621 1.00 0.00 C ATOM 833 C GLN A 54 -5.917 -6.099 -6.663 1.00 0.00 C ATOM 834 O GLN A 54 -5.237 -7.007 -7.111 1.00 0.00 O ATOM 835 CB GLN A 54 -5.868 -3.987 -7.893 1.00 0.00 C ATOM 836 CG GLN A 54 -6.016 -3.511 -9.336 1.00 0.00 C ATOM 837 CD GLN A 54 -6.975 -2.345 -9.484 1.00 0.00 C ATOM 838 OE1 GLN A 54 -7.468 -1.739 -8.557 1.00 0.00 O ATOM 839 NE2 GLN A 54 -7.329 -2.016 -10.696 1.00 0.00 N ATOM 0 H GLN A 54 -8.151 -3.859 -7.043 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.892 -5.769 -8.548 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.173 -3.190 -7.214 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.819 -4.198 -7.686 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.038 -3.219 -9.718 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.364 -4.340 -9.952 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.930 -2.509 -11.495 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.004 -1.266 -10.844 1.00 0.00 H new ATOM 848 N LEU A 55 -6.082 -5.880 -5.357 1.00 0.00 N ATOM 849 CA LEU A 55 -5.478 -6.721 -4.352 1.00 0.00 C ATOM 850 C LEU A 55 -5.758 -8.203 -4.595 1.00 0.00 C ATOM 851 O LEU A 55 -4.885 -9.030 -4.384 1.00 0.00 O ATOM 852 CB LEU A 55 -5.995 -6.302 -2.988 1.00 0.00 C ATOM 853 CG LEU A 55 -5.144 -5.245 -2.266 1.00 0.00 C ATOM 854 CD1 LEU A 55 -6.046 -4.241 -1.529 1.00 0.00 C ATOM 855 CD2 LEU A 55 -4.132 -5.887 -1.307 1.00 0.00 C ATOM 0 H LEU A 55 -6.639 -5.114 -4.979 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.397 -6.593 -4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.007 -5.914 -3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.063 -7.186 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.572 -4.706 -3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.428 -3.500 -1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.697 -3.742 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.654 -4.769 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.550 -5.107 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.663 -6.471 -0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.463 -6.540 -1.868 1.00 0.00 H new ATOM 867 N LYS A 56 -6.943 -8.528 -5.109 1.00 0.00 N ATOM 868 CA LYS A 56 -7.294 -9.858 -5.550 1.00 0.00 C ATOM 869 C LYS A 56 -6.600 -10.231 -6.854 1.00 0.00 C ATOM 870 O LYS A 56 -6.210 -11.377 -7.008 1.00 0.00 O ATOM 871 CB LYS A 56 -8.818 -9.971 -5.673 1.00 0.00 C ATOM 872 CG LYS A 56 -9.236 -11.340 -6.228 1.00 0.00 C ATOM 873 CD LYS A 56 -9.878 -12.202 -5.148 1.00 0.00 C ATOM 874 CE LYS A 56 -9.564 -13.685 -5.384 1.00 0.00 C ATOM 875 NZ LYS A 56 -9.275 -14.359 -4.099 1.00 0.00 N ATOM 0 H LYS A 56 -7.697 -7.851 -5.229 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.944 -10.571 -4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.276 -9.818 -4.696 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.191 -9.183 -6.327 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.937 -11.203 -7.051 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.364 -11.852 -6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.512 -11.899 -4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.957 -12.049 -5.146 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.408 -14.169 -5.875 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.709 -13.781 -6.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.064 -15.362 -4.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.455 -13.906 -3.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.102 -14.283 -3.473 1.00 0.00 H new ATOM 889 N ASN A 57 -6.529 -9.316 -7.821 1.00 0.00 N ATOM 890 CA ASN A 57 -5.765 -9.536 -9.040 1.00 0.00 C ATOM 891 C ASN A 57 -4.348 -10.052 -8.763 1.00 0.00 C ATOM 892 O ASN A 57 -3.766 -10.718 -9.613 1.00 0.00 O ATOM 893 CB ASN A 57 -5.644 -8.235 -9.850 1.00 0.00 C ATOM 894 CG ASN A 57 -6.122 -8.425 -11.265 1.00 0.00 C ATOM 895 OD1 ASN A 57 -5.397 -8.749 -12.180 1.00 0.00 O ATOM 896 ND2 ASN A 57 -7.409 -8.233 -11.456 1.00 0.00 N ATOM 0 H ASN A 57 -6.997 -8.410 -7.779 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.312 -10.293 -9.602 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.227 -7.449 -9.369 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.606 -7.903 -9.856 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.811 -8.357 -12.385 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.005 -7.960 -10.675 1.00 0.00 H new ATOM 903 N LEU A 58 -3.794 -9.692 -7.603 1.00 0.00 N ATOM 904 CA LEU A 58 -2.516 -10.184 -7.172 1.00 0.00 C ATOM 905 C LEU A 58 -2.606 -11.587 -6.572 1.00 0.00 C ATOM 906 O LEU A 58 -3.664 -12.129 -6.276 1.00 0.00 O ATOM 907 CB LEU A 58 -1.894 -9.165 -6.207 1.00 0.00 C ATOM 908 CG LEU A 58 -0.939 -8.181 -6.901 1.00 0.00 C ATOM 909 CD1 LEU A 58 -0.319 -7.255 -5.857 1.00 0.00 C ATOM 910 CD2 LEU A 58 0.176 -8.916 -7.652 1.00 0.00 C ATOM 0 H LEU A 58 -4.234 -9.048 -6.945 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.863 -10.290 -8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.690 -8.605 -5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.352 -9.698 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.514 -7.604 -7.625 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.359 -6.556 -6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.108 -6.700 -5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.235 -7.847 -5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.833 -8.189 -8.131 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.752 -9.518 -6.949 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.262 -9.564 -8.411 1.00 0.00 H new ATOM 922 N ASP A 59 -1.450 -12.207 -6.391 1.00 0.00 N ATOM 923 CA ASP A 59 -1.407 -13.540 -5.825 1.00 0.00 C ATOM 924 C ASP A 59 -1.600 -13.445 -4.331 1.00 0.00 C ATOM 925 O ASP A 59 -1.165 -12.464 -3.733 1.00 0.00 O ATOM 926 CB ASP A 59 -0.066 -14.196 -6.163 1.00 0.00 C ATOM 927 CG ASP A 59 -0.193 -15.659 -6.594 1.00 0.00 C ATOM 928 OD1 ASP A 59 -1.192 -16.303 -6.207 1.00 0.00 O ATOM 929 OD2 ASP A 59 0.790 -16.139 -7.210 1.00 0.00 O ATOM 0 H ASP A 59 -0.540 -11.811 -6.626 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.204 -14.155 -6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.415 -13.631 -6.961 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.588 -14.137 -5.293 1.00 0.00 H new ATOM 934 N GLU A 60 -2.123 -14.489 -3.694 1.00 0.00 N ATOM 935 CA GLU A 60 -2.277 -14.533 -2.245 1.00 0.00 C ATOM 936 C GLU A 60 -0.928 -14.426 -1.535 1.00 0.00 C ATOM 937 O GLU A 60 -0.828 -13.973 -0.398 1.00 0.00 O ATOM 938 CB GLU A 60 -2.972 -15.833 -1.828 1.00 0.00 C ATOM 939 CG GLU A 60 -4.025 -15.577 -0.752 1.00 0.00 C ATOM 940 CD GLU A 60 -4.162 -16.746 0.209 1.00 0.00 C ATOM 941 OE1 GLU A 60 -4.461 -17.849 -0.296 1.00 0.00 O ATOM 942 OE2 GLU A 60 -3.998 -16.512 1.427 1.00 0.00 O ATOM 0 H GLU A 60 -2.452 -15.329 -4.170 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.887 -13.679 -1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.442 -16.292 -2.698 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.232 -16.540 -1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.760 -14.679 -0.193 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.987 -15.385 -1.227 1.00 0.00 H new ATOM 949 N LYS A 61 0.151 -14.763 -2.250 1.00 0.00 N ATOM 950 CA LYS A 61 1.495 -14.610 -1.745 1.00 0.00 C ATOM 951 C LYS A 61 2.008 -13.197 -1.934 1.00 0.00 C ATOM 952 O LYS A 61 3.056 -12.882 -1.417 1.00 0.00 O ATOM 953 CB LYS A 61 2.399 -15.645 -2.416 1.00 0.00 C ATOM 954 CG LYS A 61 2.718 -15.286 -3.875 1.00 0.00 C ATOM 955 CD LYS A 61 3.933 -16.061 -4.372 1.00 0.00 C ATOM 956 CE LYS A 61 4.203 -15.732 -5.844 1.00 0.00 C ATOM 957 NZ LYS A 61 5.129 -16.731 -6.425 1.00 0.00 N ATOM 0 H LYS A 61 0.104 -15.148 -3.193 1.00 0.00 H new ATOM 0 HA LYS A 61 1.496 -14.787 -0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.329 -15.730 -1.854 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.916 -16.622 -2.382 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.857 -15.508 -4.505 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.906 -14.215 -3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.806 -15.809 -3.769 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.763 -17.131 -4.256 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.266 -15.725 -6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.632 -14.734 -5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.307 -16.500 -7.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.027 -16.717 -5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.704 -17.678 -6.359 1.00 0.00 H new ATOM 971 N CYS A 62 1.340 -12.364 -2.716 1.00 0.00 N ATOM 972 CA CYS A 62 1.615 -10.964 -2.915 1.00 0.00 C ATOM 973 C CYS A 62 0.706 -10.111 -2.033 1.00 0.00 C ATOM 974 O CYS A 62 0.680 -8.891 -2.121 1.00 0.00 O ATOM 975 CB CYS A 62 1.469 -10.624 -4.395 1.00 0.00 C ATOM 976 SG CYS A 62 2.737 -11.391 -5.437 1.00 0.00 S ATOM 0 H CYS A 62 0.538 -12.677 -3.262 1.00 0.00 H new ATOM 0 HA CYS A 62 2.640 -10.743 -2.619 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.485 -10.943 -4.738 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.514 -9.542 -4.518 1.00 0.00 H new ATOM 981 N MET A 63 -0.007 -10.722 -1.102 1.00 0.00 N ATOM 982 CA MET A 63 -0.906 -10.013 -0.231 1.00 0.00 C ATOM 983 C MET A 63 -0.330 -9.955 1.167 1.00 0.00 C ATOM 984 O MET A 63 -0.885 -10.424 2.129 1.00 0.00 O ATOM 985 CB MET A 63 -2.247 -10.699 -0.258 1.00 0.00 C ATOM 986 CG MET A 63 -2.839 -10.843 -1.639 1.00 0.00 C ATOM 987 SD MET A 63 -4.628 -10.998 -1.634 1.00 0.00 S ATOM 988 CE MET A 63 -4.803 -12.504 -0.671 1.00 0.00 C ATOM 0 H MET A 63 0.027 -11.728 -0.935 1.00 0.00 H new ATOM 0 HA MET A 63 -1.036 -8.985 -0.570 1.00 0.00 H new ATOM 0 HB2 MET A 63 -2.146 -11.689 0.187 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.942 -10.138 0.367 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.558 -9.977 -2.239 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.407 -11.719 -2.122 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.605 -12.380 0.056 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.041 -13.335 -1.335 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.869 -12.713 -0.149 1.00 0.00 H new ATOM 998 N CYS A 64 0.847 -9.389 1.329 1.00 0.00 N ATOM 999 CA CYS A 64 1.537 -9.322 2.611 1.00 0.00 C ATOM 1000 C CYS A 64 2.936 -8.786 2.356 1.00 0.00 C ATOM 1001 O CYS A 64 3.278 -7.734 2.893 1.00 0.00 O ATOM 1002 CB CYS A 64 1.601 -10.687 3.344 1.00 0.00 C ATOM 1003 SG CYS A 64 3.198 -11.068 4.171 1.00 0.00 S ATOM 0 H CYS A 64 1.364 -8.954 0.565 1.00 0.00 H new ATOM 0 HA CYS A 64 0.975 -8.662 3.272 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.809 -10.715 4.092 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.388 -11.477 2.624 1.00 0.00 H new ATOM 1008 N PRO A 65 3.718 -9.479 1.502 1.00 0.00 N ATOM 1009 CA PRO A 65 5.077 -9.077 1.193 1.00 0.00 C ATOM 1010 C PRO A 65 5.083 -7.913 0.222 1.00 0.00 C ATOM 1011 O PRO A 65 5.934 -7.039 0.295 1.00 0.00 O ATOM 1012 CB PRO A 65 5.764 -10.307 0.597 1.00 0.00 C ATOM 1013 CG PRO A 65 4.640 -11.237 0.168 1.00 0.00 C ATOM 1014 CD PRO A 65 3.365 -10.715 0.803 1.00 0.00 C ATOM 0 HA PRO A 65 5.604 -8.735 2.084 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.391 -10.033 -0.251 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.412 -10.788 1.330 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.550 -11.257 -0.918 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.841 -12.259 0.490 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.604 -10.527 0.045 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.950 -11.447 1.496 1.00 0.00 H new ATOM 1022 N ALA A 66 4.111 -7.885 -0.684 1.00 0.00 N ATOM 1023 CA ALA A 66 3.986 -6.827 -1.630 1.00 0.00 C ATOM 1024 C ALA A 66 3.616 -5.569 -0.888 1.00 0.00 C ATOM 1025 O ALA A 66 4.308 -4.592 -1.068 1.00 0.00 O ATOM 1026 CB ALA A 66 2.945 -7.207 -2.659 1.00 0.00 C ATOM 0 H ALA A 66 3.395 -8.607 -0.768 1.00 0.00 H new ATOM 0 HA ALA A 66 4.924 -6.651 -2.157 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.843 -6.403 -3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.253 -8.120 -3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.988 -7.372 -2.164 1.00 0.00 H new ATOM 1032 N ILE A 67 2.568 -5.579 -0.065 1.00 0.00 N ATOM 1033 CA ILE A 67 2.122 -4.417 0.684 1.00 0.00 C ATOM 1034 C ILE A 67 3.318 -3.627 1.187 1.00 0.00 C ATOM 1035 O ILE A 67 3.425 -2.458 0.898 1.00 0.00 O ATOM 1036 CB ILE A 67 1.252 -4.850 1.859 1.00 0.00 C ATOM 1037 CG1 ILE A 67 -0.055 -5.473 1.334 1.00 0.00 C ATOM 1038 CG2 ILE A 67 1.018 -3.667 2.813 1.00 0.00 C ATOM 1039 CD1 ILE A 67 -1.251 -5.086 2.194 1.00 0.00 C ATOM 0 H ILE A 67 2.000 -6.410 0.099 1.00 0.00 H new ATOM 0 HA ILE A 67 1.532 -3.782 0.024 1.00 0.00 H new ATOM 0 HB ILE A 67 1.762 -5.618 2.441 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.225 -5.149 0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.042 -6.558 1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.395 -3.990 3.647 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.976 -3.310 3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.517 -2.861 2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.153 -5.545 1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.093 -5.433 3.215 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.364 -4.002 2.193 1.00 0.00 H new ATOM 1051 N MET A 68 4.261 -4.261 1.870 1.00 0.00 N ATOM 1052 CA MET A 68 5.474 -3.598 2.303 1.00 0.00 C ATOM 1053 C MET A 68 6.083 -2.719 1.219 1.00 0.00 C ATOM 1054 O MET A 68 6.251 -1.526 1.455 1.00 0.00 O ATOM 1055 CB MET A 68 6.480 -4.653 2.749 1.00 0.00 C ATOM 1056 CG MET A 68 7.913 -4.115 2.724 1.00 0.00 C ATOM 1057 SD MET A 68 8.872 -4.784 4.098 1.00 0.00 S ATOM 1058 CE MET A 68 10.035 -3.422 4.300 1.00 0.00 C ATOM 0 H MET A 68 4.204 -5.244 2.136 1.00 0.00 H new ATOM 0 HA MET A 68 5.217 -2.938 3.131 1.00 0.00 H new ATOM 0 HB2 MET A 68 6.234 -4.987 3.757 1.00 0.00 H new ATOM 0 HB3 MET A 68 6.407 -5.524 2.098 1.00 0.00 H new ATOM 0 HG2 MET A 68 8.389 -4.379 1.780 1.00 0.00 H new ATOM 0 HG3 MET A 68 7.899 -3.027 2.780 1.00 0.00 H new ATOM 0 HE1 MET A 68 10.723 -3.649 5.115 1.00 0.00 H new ATOM 0 HE2 MET A 68 10.598 -3.285 3.377 1.00 0.00 H new ATOM 0 HE3 MET A 68 9.488 -2.508 4.531 1.00 0.00 H new ATOM 1068 N MET A 69 6.347 -3.317 0.059 1.00 0.00 N ATOM 1069 CA MET A 69 6.835 -2.615 -1.096 1.00 0.00 C ATOM 1070 C MET A 69 5.881 -1.552 -1.628 1.00 0.00 C ATOM 1071 O MET A 69 6.288 -0.548 -2.192 1.00 0.00 O ATOM 1072 CB MET A 69 7.091 -3.623 -2.196 1.00 0.00 C ATOM 1073 CG MET A 69 8.422 -4.330 -2.017 1.00 0.00 C ATOM 1074 SD MET A 69 9.805 -3.201 -2.301 1.00 0.00 S ATOM 1075 CE MET A 69 10.824 -4.241 -3.359 1.00 0.00 C ATOM 0 H MET A 69 6.222 -4.318 -0.093 1.00 0.00 H new ATOM 0 HA MET A 69 7.742 -2.095 -0.786 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.287 -4.359 -2.208 1.00 0.00 H new ATOM 0 HB3 MET A 69 7.075 -3.118 -3.162 1.00 0.00 H new ATOM 0 HG2 MET A 69 8.486 -4.741 -1.010 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.487 -5.170 -2.709 1.00 0.00 H new ATOM 0 HE1 MET A 69 11.686 -3.672 -3.708 1.00 0.00 H new ATOM 0 HE2 MET A 69 11.166 -5.109 -2.795 1.00 0.00 H new ATOM 0 HE3 MET A 69 10.238 -4.573 -4.216 1.00 0.00 H new ATOM 1085 N MET A 70 4.580 -1.744 -1.471 1.00 0.00 N ATOM 1086 CA MET A 70 3.582 -0.773 -1.844 1.00 0.00 C ATOM 1087 C MET A 70 3.859 0.563 -1.180 1.00 0.00 C ATOM 1088 O MET A 70 3.605 1.593 -1.769 1.00 0.00 O ATOM 1089 CB MET A 70 2.192 -1.282 -1.454 1.00 0.00 C ATOM 1090 CG MET A 70 1.593 -0.547 -0.261 1.00 0.00 C ATOM 1091 SD MET A 70 0.186 -1.346 0.430 1.00 0.00 S ATOM 1092 CE MET A 70 -0.478 0.032 1.372 1.00 0.00 C ATOM 0 H MET A 70 4.189 -2.598 -1.073 1.00 0.00 H new ATOM 0 HA MET A 70 3.620 -0.630 -2.924 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.523 -1.180 -2.308 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.254 -2.345 -1.223 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.356 -0.443 0.511 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.313 0.460 -0.570 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.565 0.039 1.289 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.194 -0.073 2.419 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.078 0.967 0.980 1.00 0.00 H new ATOM 1102 N LEU A 71 4.313 0.547 0.076 1.00 0.00 N ATOM 1103 CA LEU A 71 4.579 1.745 0.826 1.00 0.00 C ATOM 1104 C LEU A 71 6.028 2.151 0.587 1.00 0.00 C ATOM 1105 O LEU A 71 6.618 2.836 1.406 1.00 0.00 O ATOM 1106 CB LEU A 71 4.259 1.557 2.310 1.00 0.00 C ATOM 1107 CG LEU A 71 2.843 1.041 2.576 1.00 0.00 C ATOM 1108 CD1 LEU A 71 2.876 -0.420 3.003 1.00 0.00 C ATOM 1109 CD2 LEU A 71 2.156 1.855 3.645 1.00 0.00 C ATOM 0 H LEU A 71 4.503 -0.312 0.592 1.00 0.00 H new ATOM 0 HA LEU A 71 3.928 2.550 0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.977 0.859 2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.391 2.509 2.824 1.00 0.00 H new ATOM 0 HG LEU A 71 2.282 1.136 1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.860 -0.768 3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.327 -1.020 2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.465 -0.519 3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.152 1.464 3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.727 1.795 4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.092 2.895 3.325 1.00 0.00 H new ATOM 1121 N ASN A 72 6.642 1.640 -0.470 1.00 0.00 N ATOM 1122 CA ASN A 72 7.987 1.963 -0.880 1.00 0.00 C ATOM 1123 C ASN A 72 8.002 2.559 -2.275 1.00 0.00 C ATOM 1124 O ASN A 72 9.070 2.904 -2.775 1.00 0.00 O ATOM 1125 CB ASN A 72 8.852 0.699 -0.847 1.00 0.00 C ATOM 1126 CG ASN A 72 9.051 0.185 0.554 1.00 0.00 C ATOM 1127 OD1 ASN A 72 8.884 -0.969 0.885 1.00 0.00 O ATOM 1128 ND2 ASN A 72 9.532 1.037 1.426 1.00 0.00 N ATOM 0 H ASN A 72 6.192 0.962 -1.086 1.00 0.00 H new ATOM 0 HA ASN A 72 8.390 2.702 -0.188 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.384 -0.076 -1.454 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.822 0.912 -1.296 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.761 0.726 2.370 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.677 2.011 1.161 1.00 0.00 H new ATOM 1135 N GLU A 73 6.829 2.636 -2.905 1.00 0.00 N ATOM 1136 CA GLU A 73 6.714 3.179 -4.227 1.00 0.00 C ATOM 1137 C GLU A 73 7.008 4.678 -4.231 1.00 0.00 C ATOM 1138 O GLU A 73 7.172 5.302 -3.170 1.00 0.00 O ATOM 1139 CB GLU A 73 5.315 2.873 -4.791 1.00 0.00 C ATOM 1140 CG GLU A 73 5.419 1.948 -6.016 1.00 0.00 C ATOM 1141 CD GLU A 73 4.377 2.305 -7.069 1.00 0.00 C ATOM 1142 OE1 GLU A 73 3.234 2.614 -6.665 1.00 0.00 O ATOM 1143 OE2 GLU A 73 4.780 2.347 -8.246 1.00 0.00 O ATOM 0 H GLU A 73 5.946 2.321 -2.502 1.00 0.00 H new ATOM 0 HA GLU A 73 7.456 2.708 -4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.702 2.402 -4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.818 3.802 -5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.417 2.024 -6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.285 0.912 -5.705 1.00 0.00 H new ATOM 1150 N PRO A 74 7.019 5.300 -5.421 1.00 0.00 N ATOM 1151 CA PRO A 74 7.224 6.726 -5.582 1.00 0.00 C ATOM 1152 C PRO A 74 6.014 7.542 -5.143 1.00 0.00 C ATOM 1153 O PRO A 74 5.647 8.543 -5.751 1.00 0.00 O ATOM 1154 CB PRO A 74 7.589 6.934 -7.052 1.00 0.00 C ATOM 1155 CG PRO A 74 7.081 5.697 -7.791 1.00 0.00 C ATOM 1156 CD PRO A 74 6.788 4.673 -6.716 1.00 0.00 C ATOM 0 HA PRO A 74 8.025 7.085 -4.935 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.127 7.840 -7.444 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.666 7.047 -7.174 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.186 5.926 -8.369 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.827 5.326 -8.493 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.758 4.325 -6.792 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.429 3.800 -6.836 1.00 0.00 H new ATOM 1164 N MET A 75 5.400 7.150 -4.038 1.00 0.00 N ATOM 1165 CA MET A 75 4.260 7.820 -3.505 1.00 0.00 C ATOM 1166 C MET A 75 3.948 7.311 -2.136 1.00 0.00 C ATOM 1167 O MET A 75 2.793 7.359 -1.798 1.00 0.00 O ATOM 1168 CB MET A 75 3.062 7.593 -4.440 1.00 0.00 C ATOM 1169 CG MET A 75 2.038 8.716 -4.278 1.00 0.00 C ATOM 1170 SD MET A 75 1.479 9.332 -5.880 1.00 0.00 S ATOM 1171 CE MET A 75 2.364 10.908 -5.895 1.00 0.00 C ATOM 0 H MET A 75 5.697 6.343 -3.489 1.00 0.00 H new ATOM 0 HA MET A 75 4.470 8.887 -3.432 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.403 7.550 -5.474 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.596 6.633 -4.218 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.183 8.352 -3.708 1.00 0.00 H new ATOM 0 HG3 MET A 75 2.478 9.533 -3.706 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.142 11.441 -6.819 1.00 0.00 H new ATOM 0 HE2 MET A 75 2.048 11.511 -5.044 1.00 0.00 H new ATOM 0 HE3 MET A 75 3.436 10.724 -5.831 1.00 0.00 H new ATOM 1181 N TRP A 76 4.909 6.787 -1.379 1.00 0.00 N ATOM 1182 CA TRP A 76 4.697 6.243 -0.053 1.00 0.00 C ATOM 1183 C TRP A 76 6.012 6.233 0.699 1.00 0.00 C ATOM 1184 O TRP A 76 6.798 5.312 0.582 1.00 0.00 O ATOM 1185 CB TRP A 76 4.060 4.855 -0.145 1.00 0.00 C ATOM 1186 CG TRP A 76 2.702 4.775 -0.771 1.00 0.00 C ATOM 1187 CD1 TRP A 76 2.365 4.193 -1.943 1.00 0.00 C ATOM 1188 CD2 TRP A 76 1.504 5.454 -0.336 1.00 0.00 C ATOM 1189 NE1 TRP A 76 1.039 4.436 -2.239 1.00 0.00 N ATOM 1190 CE2 TRP A 76 0.472 5.247 -1.294 1.00 0.00 C ATOM 1191 CE3 TRP A 76 1.238 6.333 0.718 1.00 0.00 C ATOM 1192 CZ2 TRP A 76 -0.796 5.803 -1.159 1.00 0.00 C ATOM 1193 CZ3 TRP A 76 -0.032 6.883 0.878 1.00 0.00 C ATOM 1194 CH2 TRP A 76 -1.036 6.621 -0.049 1.00 0.00 C ATOM 0 H TRP A 76 5.880 6.731 -1.685 1.00 0.00 H new ATOM 0 HA TRP A 76 4.001 6.870 0.504 1.00 0.00 H new ATOM 0 HB2 TRP A 76 4.733 4.209 -0.709 1.00 0.00 H new ATOM 0 HB3 TRP A 76 3.994 4.444 0.862 1.00 0.00 H new ATOM 0 HD1 TRP A 76 3.039 3.618 -2.561 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.549 4.062 -3.051 1.00 0.00 H new ATOM 0 HE3 TRP A 76 2.024 6.588 1.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -1.570 5.610 -1.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -0.239 7.517 1.727 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -2.015 7.055 0.090 1.00 0.00 H new ATOM 1205 N ILE A 77 6.323 7.326 1.407 1.00 0.00 N ATOM 1206 CA ILE A 77 7.604 7.463 2.098 1.00 0.00 C ATOM 1207 C ILE A 77 7.357 7.888 3.533 1.00 0.00 C ATOM 1208 O ILE A 77 7.424 7.080 4.452 1.00 0.00 O ATOM 1209 CB ILE A 77 8.548 8.422 1.357 1.00 0.00 C ATOM 1210 CG1 ILE A 77 9.099 7.796 0.066 1.00 0.00 C ATOM 1211 CG2 ILE A 77 9.691 8.881 2.279 1.00 0.00 C ATOM 1212 CD1 ILE A 77 8.011 7.625 -0.996 1.00 0.00 C ATOM 0 H ILE A 77 5.702 8.128 1.514 1.00 0.00 H new ATOM 0 HA ILE A 77 8.110 6.497 2.109 1.00 0.00 H new ATOM 0 HB ILE A 77 7.967 9.298 1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.897 8.424 -0.330 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.540 6.825 0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.348 9.559 1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.275 9.396 3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.261 8.013 2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.444 7.179 -1.892 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.225 6.975 -0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.588 8.599 -1.243 1.00 0.00 H new ATOM 1224 N ARG A 78 7.105 9.178 3.744 1.00 0.00 N ATOM 1225 CA ARG A 78 6.833 9.696 5.074 1.00 0.00 C ATOM 1226 C ARG A 78 5.351 9.776 5.300 1.00 0.00 C ATOM 1227 O ARG A 78 4.850 9.382 6.322 1.00 0.00 O ATOM 1228 CB ARG A 78 7.421 11.091 5.230 1.00 0.00 C ATOM 1229 CG ARG A 78 8.887 11.018 5.671 1.00 0.00 C ATOM 1230 CD ARG A 78 9.781 11.872 4.761 1.00 0.00 C ATOM 1231 NE ARG A 78 10.681 12.727 5.550 1.00 0.00 N ATOM 1232 CZ ARG A 78 10.322 13.840 6.169 1.00 0.00 C ATOM 1233 NH1 ARG A 78 9.094 14.284 6.091 1.00 0.00 N ATOM 1234 NH2 ARG A 78 11.193 14.516 6.868 1.00 0.00 N ATOM 0 H ARG A 78 7.085 9.882 3.006 1.00 0.00 H new ATOM 0 HA ARG A 78 7.287 9.023 5.801 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.347 11.629 4.285 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.844 11.654 5.963 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.978 11.362 6.701 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.225 9.982 5.650 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.368 11.223 4.111 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.160 12.492 4.115 1.00 0.00 H new ATOM 0 HE ARG A 78 11.657 12.440 5.626 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.400 13.771 5.548 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.831 15.143 6.573 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.156 14.187 6.939 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.911 15.373 7.343 1.00 0.00 H new ATOM 1248 N MET A 79 4.619 10.220 4.293 1.00 0.00 N ATOM 1249 CA MET A 79 3.172 10.293 4.357 1.00 0.00 C ATOM 1250 C MET A 79 2.587 8.900 4.506 1.00 0.00 C ATOM 1251 O MET A 79 1.489 8.725 4.979 1.00 0.00 O ATOM 1252 CB MET A 79 2.622 10.938 3.083 1.00 0.00 C ATOM 1253 CG MET A 79 3.474 10.576 1.860 1.00 0.00 C ATOM 1254 SD MET A 79 2.621 10.831 0.311 1.00 0.00 S ATOM 1255 CE MET A 79 2.056 9.156 0.076 1.00 0.00 C ATOM 0 H MET A 79 5.013 10.540 3.408 1.00 0.00 H new ATOM 0 HA MET A 79 2.892 10.898 5.219 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.595 10.611 2.922 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.597 12.021 3.203 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.385 11.175 1.869 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.778 9.532 1.933 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.474 9.094 -0.844 1.00 0.00 H new ATOM 0 HE2 MET A 79 2.915 8.488 0.008 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.433 8.860 0.920 1.00 0.00 H new ATOM 1265 N ARG A 80 3.317 7.860 4.118 1.00 0.00 N ATOM 1266 CA ARG A 80 2.873 6.514 4.303 1.00 0.00 C ATOM 1267 C ARG A 80 2.960 6.069 5.739 1.00 0.00 C ATOM 1268 O ARG A 80 2.294 5.128 6.083 1.00 0.00 O ATOM 1269 CB ARG A 80 3.689 5.558 3.464 1.00 0.00 C ATOM 1270 CG ARG A 80 5.123 5.516 3.930 1.00 0.00 C ATOM 1271 CD ARG A 80 5.663 4.151 4.249 1.00 0.00 C ATOM 1272 NE ARG A 80 6.832 4.196 5.131 1.00 0.00 N ATOM 1273 CZ ARG A 80 7.373 3.147 5.717 1.00 0.00 C ATOM 1274 NH1 ARG A 80 6.854 1.956 5.563 1.00 0.00 N ATOM 1275 NH2 ARG A 80 8.400 3.286 6.513 1.00 0.00 N ATOM 0 H ARG A 80 4.229 7.943 3.669 1.00 0.00 H new ATOM 0 HA ARG A 80 1.828 6.498 3.994 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.256 4.559 3.520 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.652 5.864 2.418 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.750 5.964 3.159 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.216 6.140 4.819 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.880 3.556 4.720 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.932 3.646 3.322 1.00 0.00 H new ATOM 0 HE ARG A 80 7.258 5.106 5.304 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.023 1.833 4.985 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.281 1.151 6.021 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.790 4.213 6.685 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.812 2.468 6.962 1.00 0.00 H new ATOM 1289 N ASP A 81 3.804 6.663 6.563 1.00 0.00 N ATOM 1290 CA ASP A 81 3.958 6.306 7.966 1.00 0.00 C ATOM 1291 C ASP A 81 2.591 6.147 8.640 1.00 0.00 C ATOM 1292 O ASP A 81 2.382 5.281 9.480 1.00 0.00 O ATOM 1293 CB ASP A 81 4.696 7.426 8.693 1.00 0.00 C ATOM 1294 CG ASP A 81 5.522 6.959 9.883 1.00 0.00 C ATOM 1295 OD1 ASP A 81 5.101 6.007 10.567 1.00 0.00 O ATOM 1296 OD2 ASP A 81 6.631 7.517 10.025 1.00 0.00 O ATOM 0 H ASP A 81 4.416 7.425 6.271 1.00 0.00 H new ATOM 0 HA ASP A 81 4.509 5.367 8.017 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.353 7.932 7.985 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.969 8.162 9.036 1.00 0.00 H new ATOM 1301 N GLN A 82 1.606 6.908 8.149 1.00 0.00 N ATOM 1302 CA GLN A 82 0.240 6.748 8.562 1.00 0.00 C ATOM 1303 C GLN A 82 -0.542 5.714 7.781 1.00 0.00 C ATOM 1304 O GLN A 82 -1.215 4.864 8.363 1.00 0.00 O ATOM 1305 CB GLN A 82 -0.443 8.087 8.451 1.00 0.00 C ATOM 1306 CG GLN A 82 -0.374 8.841 9.784 1.00 0.00 C ATOM 1307 CD GLN A 82 0.542 10.057 9.740 1.00 0.00 C ATOM 1308 OE1 GLN A 82 1.686 10.009 9.325 1.00 0.00 O ATOM 1309 NE2 GLN A 82 0.006 11.206 10.100 1.00 0.00 N ATOM 0 H GLN A 82 1.750 7.644 7.458 1.00 0.00 H new ATOM 0 HA GLN A 82 0.262 6.378 9.587 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.030 8.679 7.668 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.484 7.947 8.160 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.377 9.160 10.066 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.026 8.160 10.561 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.953 11.235 10.446 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.550 12.066 10.032 1.00 0.00 H new ATOM 1318 N VAL A 83 -0.438 5.737 6.456 1.00 0.00 N ATOM 1319 CA VAL A 83 -1.057 4.739 5.599 1.00 0.00 C ATOM 1320 C VAL A 83 -0.506 3.344 5.894 1.00 0.00 C ATOM 1321 O VAL A 83 -1.046 2.355 5.450 1.00 0.00 O ATOM 1322 CB VAL A 83 -0.926 5.123 4.123 1.00 0.00 C ATOM 1323 CG1 VAL A 83 -1.069 6.633 3.950 1.00 0.00 C ATOM 1324 CG2 VAL A 83 0.369 4.631 3.522 1.00 0.00 C ATOM 0 H VAL A 83 0.081 6.453 5.947 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.124 4.709 5.821 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.735 4.631 3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.973 6.889 2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.047 6.950 4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.289 7.140 4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.419 4.926 2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.210 5.067 4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.415 3.544 3.596 1.00 0.00 H new ATOM 1334 N MET A 84 0.560 3.232 6.667 1.00 0.00 N ATOM 1335 CA MET A 84 1.212 2.008 7.013 1.00 0.00 C ATOM 1336 C MET A 84 0.297 1.213 7.897 1.00 0.00 C ATOM 1337 O MET A 84 -0.058 0.101 7.528 1.00 0.00 O ATOM 1338 CB MET A 84 2.524 2.299 7.738 1.00 0.00 C ATOM 1339 CG MET A 84 3.715 1.831 6.926 1.00 0.00 C ATOM 1340 SD MET A 84 5.118 1.455 7.996 1.00 0.00 S ATOM 1341 CE MET A 84 5.734 3.143 8.213 1.00 0.00 C ATOM 0 H MET A 84 1.009 4.046 7.087 1.00 0.00 H new ATOM 0 HA MET A 84 1.439 1.440 6.111 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.608 3.369 7.928 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.524 1.802 8.708 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.443 0.945 6.352 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.996 2.602 6.209 1.00 0.00 H new ATOM 0 HE1 MET A 84 6.811 3.119 8.379 1.00 0.00 H new ATOM 0 HE2 MET A 84 5.518 3.727 7.318 1.00 0.00 H new ATOM 0 HE3 MET A 84 5.245 3.601 9.073 1.00 0.00 H new ATOM 1351 N SER A 85 -0.080 1.773 9.051 1.00 0.00 N ATOM 1352 CA SER A 85 -0.969 1.111 9.988 1.00 0.00 C ATOM 1353 C SER A 85 -2.381 1.036 9.420 1.00 0.00 C ATOM 1354 O SER A 85 -3.057 0.012 9.554 1.00 0.00 O ATOM 1355 CB SER A 85 -0.962 1.836 11.339 1.00 0.00 C ATOM 1356 OG SER A 85 -2.024 2.755 11.451 1.00 0.00 O ATOM 0 H SER A 85 0.227 2.697 9.354 1.00 0.00 H new ATOM 0 HA SER A 85 -0.611 0.094 10.147 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.030 1.104 12.144 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.014 2.360 11.464 1.00 0.00 H new ATOM 0 HG SER A 85 -1.985 3.195 12.326 1.00 0.00 H new ATOM 1362 N MET A 86 -2.795 2.085 8.709 1.00 0.00 N ATOM 1363 CA MET A 86 -4.119 2.160 8.143 1.00 0.00 C ATOM 1364 C MET A 86 -4.313 1.081 7.097 1.00 0.00 C ATOM 1365 O MET A 86 -5.312 0.366 7.086 1.00 0.00 O ATOM 1366 CB MET A 86 -4.292 3.519 7.497 1.00 0.00 C ATOM 1367 CG MET A 86 -4.321 4.653 8.510 1.00 0.00 C ATOM 1368 SD MET A 86 -5.786 4.545 9.562 1.00 0.00 S ATOM 1369 CE MET A 86 -4.973 4.322 11.156 1.00 0.00 C ATOM 0 H MET A 86 -2.213 2.900 8.516 1.00 0.00 H new ATOM 0 HA MET A 86 -4.856 2.015 8.933 1.00 0.00 H new ATOM 0 HB2 MET A 86 -3.478 3.688 6.793 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.218 3.528 6.922 1.00 0.00 H new ATOM 0 HG2 MET A 86 -3.423 4.618 9.127 1.00 0.00 H new ATOM 0 HG3 MET A 86 -4.313 5.611 7.989 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.708 4.412 11.955 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.514 3.334 11.195 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.204 5.084 11.282 1.00 0.00 H new ATOM 1379 N ALA A 87 -3.296 0.871 6.267 1.00 0.00 N ATOM 1380 CA ALA A 87 -3.289 -0.166 5.273 1.00 0.00 C ATOM 1381 C ALA A 87 -2.729 -1.451 5.861 1.00 0.00 C ATOM 1382 O ALA A 87 -2.182 -2.283 5.152 1.00 0.00 O ATOM 1383 CB ALA A 87 -2.505 0.306 4.064 1.00 0.00 C ATOM 0 H ALA A 87 -2.445 1.433 6.276 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.306 -0.383 4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.497 -0.478 3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.972 1.201 3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.481 0.534 4.361 1.00 0.00 H new ATOM 1389 N HIS A 88 -2.817 -1.626 7.174 1.00 0.00 N ATOM 1390 CA HIS A 88 -2.360 -2.827 7.834 1.00 0.00 C ATOM 1391 C HIS A 88 -3.544 -3.657 8.257 1.00 0.00 C ATOM 1392 O HIS A 88 -3.382 -4.844 8.452 1.00 0.00 O ATOM 1393 CB HIS A 88 -1.500 -2.461 9.039 1.00 0.00 C ATOM 1394 CG HIS A 88 -0.549 -3.518 9.484 1.00 0.00 C ATOM 1395 ND1 HIS A 88 0.142 -3.483 10.671 1.00 0.00 N ATOM 1396 CD2 HIS A 88 -0.195 -4.642 8.800 1.00 0.00 C ATOM 1397 CE1 HIS A 88 0.916 -4.573 10.706 1.00 0.00 C ATOM 1398 NE2 HIS A 88 0.739 -5.276 9.567 1.00 0.00 N ATOM 0 H HIS A 88 -3.211 -0.931 7.808 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.754 -3.413 7.143 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -0.933 -1.561 8.801 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -2.157 -2.212 9.872 1.00 0.00 H new ATOM 0 HD1 HIS A 88 0.077 -2.762 11.390 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.577 -4.966 7.843 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.577 -4.847 11.515 1.00 0.00 H new ATOM 1407 N ASN A 89 -4.715 -3.043 8.418 1.00 0.00 N ATOM 1408 CA ASN A 89 -5.947 -3.733 8.740 1.00 0.00 C ATOM 1409 C ASN A 89 -6.927 -3.688 7.581 1.00 0.00 C ATOM 1410 O ASN A 89 -7.811 -4.521 7.502 1.00 0.00 O ATOM 1411 CB ASN A 89 -6.599 -3.063 9.945 1.00 0.00 C ATOM 1412 CG ASN A 89 -6.088 -3.649 11.242 1.00 0.00 C ATOM 1413 OD1 ASN A 89 -6.814 -3.932 12.169 1.00 0.00 O ATOM 1414 ND2 ASN A 89 -4.792 -3.858 11.318 1.00 0.00 N ATOM 0 H ASN A 89 -4.828 -2.034 8.325 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.702 -4.773 8.955 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.396 -1.992 9.922 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.681 -3.184 9.890 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.389 -4.262 12.164 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.189 -3.616 10.531 1.00 0.00 H new ATOM 1421 N LEU A 90 -6.749 -2.737 6.666 1.00 0.00 N ATOM 1422 CA LEU A 90 -7.534 -2.661 5.453 1.00 0.00 C ATOM 1423 C LEU A 90 -7.333 -3.896 4.571 1.00 0.00 C ATOM 1424 O LEU A 90 -8.307 -4.511 4.144 1.00 0.00 O ATOM 1425 CB LEU A 90 -7.183 -1.373 4.695 1.00 0.00 C ATOM 1426 CG LEU A 90 -7.992 -0.161 5.158 1.00 0.00 C ATOM 1427 CD1 LEU A 90 -7.333 1.123 4.648 1.00 0.00 C ATOM 1428 CD2 LEU A 90 -9.428 -0.261 4.649 1.00 0.00 C ATOM 0 H LEU A 90 -6.051 -1.998 6.753 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.590 -2.637 5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.121 -1.163 4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.352 -1.529 3.630 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.013 -0.139 6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.912 1.985 4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.319 1.193 5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.298 1.106 3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.994 0.608 4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.426 -0.294 3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.890 -1.168 5.039 1.00 0.00 H new ATOM 1440 N PRO A 91 -6.071 -4.283 4.309 1.00 0.00 N ATOM 1441 CA PRO A 91 -5.778 -5.465 3.544 1.00 0.00 C ATOM 1442 C PRO A 91 -6.039 -6.720 4.340 1.00 0.00 C ATOM 1443 O PRO A 91 -6.177 -7.786 3.785 1.00 0.00 O ATOM 1444 CB PRO A 91 -4.322 -5.362 3.118 1.00 0.00 C ATOM 1445 CG PRO A 91 -3.701 -4.370 4.076 1.00 0.00 C ATOM 1446 CD PRO A 91 -4.842 -3.683 4.778 1.00 0.00 C ATOM 0 HA PRO A 91 -6.428 -5.530 2.672 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.825 -6.330 3.176 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.236 -5.021 2.086 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.053 -4.875 4.792 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.084 -3.648 3.541 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.750 -3.795 5.858 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.833 -2.614 4.566 1.00 0.00 H new ATOM 1454 N ILE A 92 -6.106 -6.645 5.650 1.00 0.00 N ATOM 1455 CA ILE A 92 -6.405 -7.788 6.484 1.00 0.00 C ATOM 1456 C ILE A 92 -7.892 -8.065 6.502 1.00 0.00 C ATOM 1457 O ILE A 92 -8.265 -9.221 6.361 1.00 0.00 O ATOM 1458 CB ILE A 92 -5.883 -7.518 7.891 1.00 0.00 C ATOM 1459 CG1 ILE A 92 -4.393 -7.854 7.970 1.00 0.00 C ATOM 1460 CG2 ILE A 92 -6.711 -8.258 8.947 1.00 0.00 C ATOM 1461 CD1 ILE A 92 -3.961 -8.423 9.314 1.00 0.00 C ATOM 0 H ILE A 92 -5.953 -5.782 6.171 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.915 -8.674 6.080 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.994 -6.456 8.111 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.150 -8.573 7.187 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.816 -6.952 7.765 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.312 -8.044 9.938 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.748 -7.927 8.894 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.663 -9.331 8.761 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.892 -8.636 9.292 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.171 -7.698 10.100 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.510 -9.343 9.513 1.00 0.00 H new ATOM 1473 N GLU A 93 -8.715 -7.027 6.653 1.00 0.00 N ATOM 1474 CA GLU A 93 -10.163 -7.182 6.659 1.00 0.00 C ATOM 1475 C GLU A 93 -10.661 -7.701 5.314 1.00 0.00 C ATOM 1476 O GLU A 93 -11.771 -8.212 5.210 1.00 0.00 O ATOM 1477 CB GLU A 93 -10.837 -5.836 6.968 1.00 0.00 C ATOM 1478 CG GLU A 93 -11.077 -5.679 8.478 1.00 0.00 C ATOM 1479 CD GLU A 93 -12.566 -5.482 8.777 1.00 0.00 C ATOM 1480 OE1 GLU A 93 -13.031 -4.329 8.623 1.00 0.00 O ATOM 1481 OE2 GLU A 93 -13.227 -6.485 9.119 1.00 0.00 O ATOM 0 H GLU A 93 -8.397 -6.065 6.773 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.422 -7.906 7.432 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.211 -5.020 6.608 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.786 -5.769 6.436 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.710 -6.562 9.002 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.511 -4.827 8.854 1.00 0.00 H new ATOM 1488 N CYS A 94 -9.832 -7.583 4.273 1.00 0.00 N ATOM 1489 CA CYS A 94 -10.130 -8.145 2.983 1.00 0.00 C ATOM 1490 C CYS A 94 -9.604 -9.564 2.854 1.00 0.00 C ATOM 1491 O CYS A 94 -9.962 -10.215 1.878 1.00 0.00 O ATOM 1492 CB CYS A 94 -9.552 -7.244 1.895 1.00 0.00 C ATOM 1493 SG CYS A 94 -10.650 -5.896 1.371 1.00 0.00 S ATOM 0 H CYS A 94 -8.939 -7.092 4.316 1.00 0.00 H new ATOM 0 HA CYS A 94 -11.213 -8.199 2.868 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.617 -6.815 2.255 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -9.308 -7.855 1.026 1.00 0.00 H new ATOM 1498 N ASN A 95 -8.749 -10.010 3.783 1.00 0.00 N ATOM 1499 CA ASN A 95 -8.137 -11.325 3.827 1.00 0.00 C ATOM 1500 C ASN A 95 -6.907 -11.335 2.906 1.00 0.00 C ATOM 1501 O ASN A 95 -6.524 -12.333 2.316 1.00 0.00 O ATOM 1502 CB ASN A 95 -9.157 -12.387 3.403 1.00 0.00 C ATOM 1503 CG ASN A 95 -8.859 -13.730 4.014 1.00 0.00 C ATOM 1504 OD1 ASN A 95 -9.680 -14.316 4.691 1.00 0.00 O ATOM 1505 ND2 ASN A 95 -7.659 -14.223 3.819 1.00 0.00 N ATOM 0 H ASN A 95 -8.456 -9.423 4.564 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.816 -11.556 4.842 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.157 -12.068 3.698 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.158 -12.475 2.317 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.400 -15.115 4.240 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.985 -13.714 3.247 1.00 0.00 H new ATOM 1512 N LEU A 96 -6.316 -10.188 2.666 1.00 0.00 N ATOM 1513 CA LEU A 96 -5.191 -10.054 1.786 1.00 0.00 C ATOM 1514 C LEU A 96 -3.976 -10.439 2.598 1.00 0.00 C ATOM 1515 O LEU A 96 -3.370 -11.459 2.336 1.00 0.00 O ATOM 1516 CB LEU A 96 -5.121 -8.656 1.172 1.00 0.00 C ATOM 1517 CG LEU A 96 -6.478 -8.123 0.696 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -6.416 -6.624 0.526 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -6.942 -8.807 -0.580 1.00 0.00 C ATOM 0 H LEU A 96 -6.613 -9.308 3.088 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.267 -10.710 0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.707 -7.966 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.431 -8.674 0.328 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.218 -8.356 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.385 -6.256 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.164 -6.160 1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.654 -6.373 -0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.907 -8.399 -0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.212 -8.635 -1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.040 -9.878 -0.404 1.00 0.00 H new ATOM 1531 N MET A 97 -3.705 -9.709 3.676 1.00 0.00 N ATOM 1532 CA MET A 97 -2.559 -9.952 4.521 1.00 0.00 C ATOM 1533 C MET A 97 -2.952 -10.316 5.926 1.00 0.00 C ATOM 1534 O MET A 97 -2.142 -10.103 6.822 1.00 0.00 O ATOM 1535 CB MET A 97 -1.643 -8.737 4.488 1.00 0.00 C ATOM 1536 CG MET A 97 -2.272 -7.564 5.236 1.00 0.00 C ATOM 1537 SD MET A 97 -1.373 -7.158 6.750 1.00 0.00 S ATOM 1538 CE MET A 97 0.212 -6.716 6.029 1.00 0.00 C ATOM 0 H MET A 97 -4.284 -8.928 3.983 1.00 0.00 H new ATOM 0 HA MET A 97 -2.020 -10.815 4.131 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.682 -8.988 4.938 1.00 0.00 H new ATOM 0 HB3 MET A 97 -1.447 -8.452 3.454 1.00 0.00 H new ATOM 0 HG2 MET A 97 -2.296 -6.691 4.584 1.00 0.00 H new ATOM 0 HG3 MET A 97 -3.306 -7.805 5.483 1.00 0.00 H new ATOM 0 HE1 MET A 97 1.007 -7.264 6.534 1.00 0.00 H new ATOM 0 HE2 MET A 97 0.213 -6.970 4.969 1.00 0.00 H new ATOM 0 HE3 MET A 97 0.379 -5.645 6.146 1.00 0.00 H new ATOM 1548 N SER A 98 -4.182 -10.822 6.111 1.00 0.00 N ATOM 1549 CA SER A 98 -4.730 -11.163 7.423 1.00 0.00 C ATOM 1550 C SER A 98 -3.668 -11.735 8.371 1.00 0.00 C ATOM 1551 O SER A 98 -3.154 -11.118 9.300 1.00 0.00 O ATOM 1552 CB SER A 98 -5.881 -12.150 7.278 1.00 0.00 C ATOM 1553 OG SER A 98 -6.319 -12.553 8.557 1.00 0.00 O ATOM 0 H SER A 98 -4.827 -11.006 5.342 1.00 0.00 H new ATOM 0 HA SER A 98 -5.096 -10.236 7.864 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.702 -11.689 6.729 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.560 -13.018 6.702 1.00 0.00 H new ATOM 0 HG SER A 98 -7.061 -13.187 8.464 1.00 0.00 H new ATOM 1559 N GLN A 99 -3.221 -12.936 8.070 1.00 0.00 N ATOM 1560 CA GLN A 99 -2.084 -13.516 8.747 1.00 0.00 C ATOM 1561 C GLN A 99 -1.421 -14.600 7.895 1.00 0.00 C ATOM 1562 O GLN A 99 -1.285 -15.748 8.316 1.00 0.00 O ATOM 1563 CB GLN A 99 -2.618 -14.019 10.088 1.00 0.00 C ATOM 1564 CG GLN A 99 -1.765 -13.471 11.228 1.00 0.00 C ATOM 1565 CD GLN A 99 -0.817 -14.501 11.766 1.00 0.00 C ATOM 1566 OE1 GLN A 99 -1.241 -15.576 12.127 1.00 0.00 O ATOM 1567 NE2 GLN A 99 0.439 -14.132 11.939 1.00 0.00 N ATOM 0 H GLN A 99 -3.634 -13.533 7.353 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.286 -12.793 8.915 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.655 -13.707 10.216 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.608 -15.109 10.107 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.200 -12.608 10.876 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.414 -13.121 12.031 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.750 -13.215 11.618 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.098 -14.764 12.394 1.00 0.00 H new ATOM 1576 N PRO A 100 -1.034 -14.259 6.657 1.00 0.00 N ATOM 1577 CA PRO A 100 -0.414 -15.215 5.763 1.00 0.00 C ATOM 1578 C PRO A 100 1.020 -15.496 6.189 1.00 0.00 C ATOM 1579 O PRO A 100 1.337 -16.583 6.659 1.00 0.00 O ATOM 1580 CB PRO A 100 -0.500 -14.604 4.364 1.00 0.00 C ATOM 1581 CG PRO A 100 -0.740 -13.115 4.581 1.00 0.00 C ATOM 1582 CD PRO A 100 -1.112 -12.945 6.040 1.00 0.00 C ATOM 0 HA PRO A 100 -0.919 -16.181 5.783 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.420 -14.775 3.804 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.311 -15.052 3.790 1.00 0.00 H new ATOM 0 HG2 PRO A 100 0.153 -12.539 4.339 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.538 -12.753 3.933 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.434 -12.248 6.532 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.117 -12.533 6.136 1.00 0.00 H new ATOM 1590 N CYS A 101 1.904 -14.516 6.007 1.00 0.00 N ATOM 1591 CA CYS A 101 3.294 -14.658 6.366 1.00 0.00 C ATOM 1592 C CYS A 101 3.393 -14.591 7.882 1.00 0.00 C ATOM 1593 O CYS A 101 2.942 -13.614 8.490 1.00 0.00 O ATOM 1594 CB CYS A 101 4.134 -13.579 5.678 1.00 0.00 C ATOM 1595 SG CYS A 101 3.535 -13.077 4.022 1.00 0.00 S ATOM 0 H CYS A 101 1.667 -13.608 5.607 1.00 0.00 H new ATOM 0 HA CYS A 101 3.689 -15.616 6.028 1.00 0.00 H new ATOM 0 HB2 CYS A 101 4.165 -12.699 6.320 1.00 0.00 H new ATOM 0 HB3 CYS A 101 5.158 -13.941 5.584 1.00 0.00 H new ATOM 1600 N GLN A 102 3.969 -15.619 8.486 1.00 0.00 N ATOM 1601 CA GLN A 102 4.159 -15.688 9.922 1.00 0.00 C ATOM 1602 C GLN A 102 5.619 -15.938 10.260 1.00 0.00 C ATOM 1603 O GLN A 102 6.459 -15.959 9.363 1.00 0.00 O ATOM 1604 CB GLN A 102 3.266 -16.773 10.519 1.00 0.00 C ATOM 1605 CG GLN A 102 1.794 -16.488 10.240 1.00 0.00 C ATOM 1606 CD GLN A 102 0.895 -17.243 11.203 1.00 0.00 C ATOM 1607 OE1 GLN A 102 1.156 -17.317 12.397 1.00 0.00 O ATOM 1608 NE2 GLN A 102 -0.192 -17.784 10.699 1.00 0.00 N ATOM 0 H GLN A 102 4.320 -16.436 7.986 1.00 0.00 H new ATOM 0 HA GLN A 102 3.875 -14.730 10.358 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.537 -17.742 10.101 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.431 -16.832 11.595 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.606 -15.418 10.326 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.554 -16.773 9.216 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.384 -17.707 9.700 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.843 -18.281 11.307 1.00 0.00 H new ATOM 1617 N MET A 103 5.914 -16.014 11.556 1.00 0.00 N ATOM 1618 CA MET A 103 7.254 -16.307 12.042 1.00 0.00 C ATOM 1619 C MET A 103 7.596 -17.807 11.976 1.00 0.00 C ATOM 1620 O MET A 103 6.857 -18.566 12.641 1.00 0.00 O ATOM 1621 CB MET A 103 7.367 -15.769 13.475 1.00 0.00 C ATOM 1622 CG MET A 103 8.532 -14.787 13.584 1.00 0.00 C ATOM 1623 SD MET A 103 10.137 -15.618 13.620 1.00 0.00 S ATOM 1624 CE MET A 103 10.290 -15.841 15.407 1.00 0.00 C ATOM 1625 OXT MET A 103 8.588 -18.146 11.295 1.00 0.00 O ATOM 0 H MET A 103 5.227 -15.873 12.297 1.00 0.00 H new ATOM 0 HA MET A 103 7.981 -15.816 11.395 1.00 0.00 H new ATOM 0 HB2 MET A 103 6.438 -15.274 13.759 1.00 0.00 H new ATOM 0 HB3 MET A 103 7.513 -16.596 14.170 1.00 0.00 H new ATOM 0 HG2 MET A 103 8.502 -14.098 12.740 1.00 0.00 H new ATOM 0 HG3 MET A 103 8.416 -14.189 14.488 1.00 0.00 H new ATOM 0 HE1 MET A 103 11.230 -16.344 15.632 1.00 0.00 H new ATOM 0 HE2 MET A 103 10.273 -14.868 15.898 1.00 0.00 H new ATOM 0 HE3 MET A 103 9.459 -16.445 15.771 1.00 0.00 H new TER 1635 MET A 103