USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 825 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 59 MET CE :methyl -148:sc= -4.65! (180deg=-10.3!) USER MOD Set 1.2: B 478 MET CE :methyl 142:sc= -0.573 (180deg=-1.99!) USER MOD Set 2.1: A 43 SER OG : rot 180:sc= 0.00207 USER MOD Set 2.2: A 111 TYR OH : rot 34:sc= -2.57! USER MOD Set 3.1: A 36 LYS NZ :NH3+ -123:sc= 0.069 (180deg=0) USER MOD Set 3.2: A 38 HIS : no HD1:sc= -0.609 K(o=-0.54,f=-2.3) USER MOD Set 4.1: A 3 HIS : no HD1:sc= -0.592 K(o=-1.3,f=-4.7!) USER MOD Set 4.2: A 4 SER OG : rot 60:sc= -0.716 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0286) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0699 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0197 USER MOD Single : A 28 THR OG1 : rot 180:sc= -3.89! USER MOD Single : A 31 SER OG : rot 180:sc= -0.0964 USER MOD Single : A 32 THR OG1 : rot 73:sc= -0.0613 USER MOD Single : A 39 THR OG1 : rot -160:sc= -4.42! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.585 K(o=-0.59,f=-4.5!) USER MOD Single : A 51 THR OG1 : rot -115:sc= 1.44 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0225 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl 145:sc= -1.34 (180deg=-4.27!) USER MOD Single : A 90 SER OG : rot 180:sc= -2.03! USER MOD Single : A 92 ASN : amide:sc= -1.54 K(o=-1.5,f=-3.9!) USER MOD Single : A 93 ASN : amide:sc= -0.0391 X(o=-0.039,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00791 USER MOD Single : A 97 MET CE :methyl 142:sc= -0.565 (180deg=-1.73!) USER MOD Single : A 99 ASN : amide:sc= -5.86! C(o=-5.9!,f=-7.5!) USER MOD Single : A 101 LYS NZ :NH3+ -155:sc= -0.0764 (180deg=-0.396) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.5) USER MOD Single : A 106 GLN : amide:sc= -0.64 K(o=-0.64,f=-3.6!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 477 GLN : amide:sc= -0.0429 K(o=-0.043,f=-0.99) USER MOD Single : B 480 THR OG1 : rot 72:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -10.004 12.199 7.185 1.00 0.00 N ATOM 2 CA PRO A 1 -9.014 12.863 8.077 1.00 0.00 C ATOM 3 C PRO A 1 -7.582 12.436 7.753 1.00 0.00 C ATOM 4 O PRO A 1 -7.308 11.918 6.671 1.00 0.00 O ATOM 5 CB PRO A 1 -9.369 12.495 9.515 1.00 0.00 C ATOM 6 CG PRO A 1 -10.692 11.817 9.402 1.00 0.00 C ATOM 7 CD PRO A 1 -10.751 11.235 8.011 1.00 0.00 C ATOM 0 H2 PRO A 1 -9.534 11.725 6.414 1.00 0.00 H new ATOM 0 H3 PRO A 1 -10.635 12.886 6.772 1.00 0.00 H new ATOM 0 HA PRO A 1 -9.058 13.942 7.930 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -8.620 11.836 9.954 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -9.427 13.379 10.150 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -10.794 11.036 10.155 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -11.506 12.524 9.563 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -10.298 10.244 7.974 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -11.780 11.129 7.667 1.00 0.00 H new ATOM 17 N SER A 2 -6.674 12.661 8.698 1.00 0.00 N ATOM 18 CA SER A 2 -5.271 12.305 8.514 1.00 0.00 C ATOM 19 C SER A 2 -5.099 10.801 8.304 1.00 0.00 C ATOM 20 O SER A 2 -4.063 10.351 7.815 1.00 0.00 O ATOM 21 CB SER A 2 -4.449 12.757 9.722 1.00 0.00 C ATOM 22 OG SER A 2 -4.304 14.167 9.742 1.00 0.00 O ATOM 0 H SER A 2 -6.885 13.089 9.600 1.00 0.00 H new ATOM 0 HA SER A 2 -4.913 12.816 7.620 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.934 12.425 10.640 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.466 12.288 9.693 1.00 0.00 H new ATOM 0 HG SER A 2 -3.776 14.431 10.525 1.00 0.00 H new ATOM 28 N HIS A 3 -6.113 10.027 8.680 1.00 0.00 N ATOM 29 CA HIS A 3 -6.058 8.575 8.532 1.00 0.00 C ATOM 30 C HIS A 3 -7.025 8.082 7.466 1.00 0.00 C ATOM 31 O HIS A 3 -7.410 6.915 7.444 1.00 0.00 O ATOM 32 CB HIS A 3 -6.324 7.881 9.869 1.00 0.00 C ATOM 33 CG HIS A 3 -7.759 7.919 10.303 1.00 0.00 C ATOM 34 ND1 HIS A 3 -8.706 8.726 9.707 1.00 0.00 N ATOM 35 CD2 HIS A 3 -8.406 7.242 11.281 1.00 0.00 C ATOM 36 CE1 HIS A 3 -9.873 8.543 10.300 1.00 0.00 C ATOM 37 NE2 HIS A 3 -9.717 7.648 11.258 1.00 0.00 N ATOM 0 H HIS A 3 -6.979 10.378 9.088 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.050 8.318 8.205 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.005 6.841 9.796 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.710 8.350 10.638 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -7.971 6.518 11.954 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -10.797 9.041 10.044 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -10.452 7.312 11.881 1.00 0.00 H new ATOM 46 N SER A 4 -7.409 8.982 6.585 1.00 0.00 N ATOM 47 CA SER A 4 -8.328 8.655 5.503 1.00 0.00 C ATOM 48 C SER A 4 -8.055 9.528 4.288 1.00 0.00 C ATOM 49 O SER A 4 -7.653 10.684 4.419 1.00 0.00 O ATOM 50 CB SER A 4 -9.778 8.825 5.959 1.00 0.00 C ATOM 51 OG SER A 4 -9.998 8.196 7.209 1.00 0.00 O ATOM 0 H SER A 4 -7.099 9.954 6.594 1.00 0.00 H new ATOM 0 HA SER A 4 -8.170 7.613 5.226 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.016 9.886 6.036 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.449 8.401 5.212 1.00 0.00 H new ATOM 0 HG SER A 4 -9.405 8.590 7.882 1.00 0.00 H new ATOM 57 N GLY A 5 -8.267 8.966 3.106 1.00 0.00 N ATOM 58 CA GLY A 5 -8.029 9.705 1.887 1.00 0.00 C ATOM 59 C GLY A 5 -8.577 8.992 0.674 1.00 0.00 C ATOM 60 O GLY A 5 -9.049 7.861 0.773 1.00 0.00 O ATOM 0 H GLY A 5 -8.600 8.011 2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -8.488 10.691 1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.958 9.861 1.762 1.00 0.00 H new ATOM 64 N ALA A 6 -8.514 9.651 -0.471 1.00 0.00 N ATOM 65 CA ALA A 6 -9.008 9.067 -1.709 1.00 0.00 C ATOM 66 C ALA A 6 -7.855 8.645 -2.610 1.00 0.00 C ATOM 67 O ALA A 6 -6.988 9.451 -2.947 1.00 0.00 O ATOM 68 CB ALA A 6 -9.917 10.049 -2.433 1.00 0.00 C ATOM 0 H ALA A 6 -8.126 10.589 -0.570 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.585 8.177 -1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.278 9.597 -3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.765 10.298 -1.795 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.360 10.956 -2.666 1.00 0.00 H new ATOM 74 N ALA A 7 -7.851 7.373 -2.992 1.00 0.00 N ATOM 75 CA ALA A 7 -6.806 6.836 -3.850 1.00 0.00 C ATOM 76 C ALA A 7 -7.367 5.789 -4.801 1.00 0.00 C ATOM 77 O ALA A 7 -8.453 5.253 -4.581 1.00 0.00 O ATOM 78 CB ALA A 7 -5.692 6.237 -3.007 1.00 0.00 C ATOM 0 H ALA A 7 -8.562 6.695 -2.719 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.400 7.654 -4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.916 5.838 -3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.266 7.009 -2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.095 5.434 -2.390 1.00 0.00 H new ATOM 84 N ILE A 8 -6.616 5.494 -5.854 1.00 0.00 N ATOM 85 CA ILE A 8 -7.036 4.504 -6.830 1.00 0.00 C ATOM 86 C ILE A 8 -6.398 3.150 -6.527 1.00 0.00 C ATOM 87 O ILE A 8 -5.176 3.033 -6.442 1.00 0.00 O ATOM 88 CB ILE A 8 -6.689 4.950 -8.274 1.00 0.00 C ATOM 89 CG1 ILE A 8 -7.858 4.649 -9.217 1.00 0.00 C ATOM 90 CG2 ILE A 8 -5.414 4.278 -8.764 1.00 0.00 C ATOM 91 CD1 ILE A 8 -7.499 3.751 -10.384 1.00 0.00 C ATOM 0 H ILE A 8 -5.714 5.927 -6.052 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.119 4.408 -6.759 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.515 6.026 -8.267 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.660 4.181 -8.646 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.250 5.590 -9.604 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.195 4.609 -9.779 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.586 4.547 -8.108 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.547 3.196 -8.756 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.382 3.587 -11.002 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.720 4.225 -10.982 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.137 2.794 -10.009 1.00 0.00 H new ATOM 103 N PHE A 9 -7.231 2.135 -6.364 1.00 0.00 N ATOM 104 CA PHE A 9 -6.749 0.790 -6.070 1.00 0.00 C ATOM 105 C PHE A 9 -7.118 -0.173 -7.191 1.00 0.00 C ATOM 106 O PHE A 9 -8.214 -0.102 -7.747 1.00 0.00 O ATOM 107 CB PHE A 9 -7.324 0.295 -4.742 1.00 0.00 C ATOM 108 CG PHE A 9 -6.554 -0.848 -4.144 1.00 0.00 C ATOM 109 CD1 PHE A 9 -6.840 -2.156 -4.503 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.545 -0.615 -3.223 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.134 -3.210 -3.954 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.836 -1.665 -2.671 1.00 0.00 C ATOM 113 CZ PHE A 9 -5.130 -2.964 -3.037 1.00 0.00 C ATOM 0 H PHE A 9 -8.246 2.214 -6.430 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.663 0.829 -5.991 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.341 1.122 -4.032 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.358 -0.015 -4.896 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.623 -2.354 -5.220 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.310 0.399 -2.933 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.367 -4.225 -4.241 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.052 -1.470 -1.954 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.576 -3.786 -2.607 1.00 0.00 H new ATOM 123 N GLU A 10 -6.193 -1.066 -7.525 1.00 0.00 N ATOM 124 CA GLU A 10 -6.421 -2.036 -8.588 1.00 0.00 C ATOM 125 C GLU A 10 -6.794 -1.327 -9.886 1.00 0.00 C ATOM 126 O GLU A 10 -7.487 -1.886 -10.736 1.00 0.00 O ATOM 127 CB GLU A 10 -7.527 -3.015 -8.190 1.00 0.00 C ATOM 128 CG GLU A 10 -7.023 -4.215 -7.406 1.00 0.00 C ATOM 129 CD GLU A 10 -6.926 -5.467 -8.256 1.00 0.00 C ATOM 130 OE1 GLU A 10 -7.813 -5.676 -9.110 1.00 0.00 O ATOM 131 OE2 GLU A 10 -5.961 -6.238 -8.068 1.00 0.00 O ATOM 0 H GLU A 10 -5.280 -1.138 -7.076 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.498 -2.594 -8.746 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.270 -2.487 -7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.032 -3.365 -9.090 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.042 -3.986 -6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.691 -4.402 -6.565 1.00 0.00 H new ATOM 138 N LYS A 11 -6.331 -0.087 -10.028 1.00 0.00 N ATOM 139 CA LYS A 11 -6.613 0.705 -11.211 1.00 0.00 C ATOM 140 C LYS A 11 -8.106 0.959 -11.346 1.00 0.00 C ATOM 141 O LYS A 11 -8.677 0.862 -12.433 1.00 0.00 O ATOM 142 CB LYS A 11 -6.053 0.011 -12.450 1.00 0.00 C ATOM 143 CG LYS A 11 -4.622 -0.466 -12.258 1.00 0.00 C ATOM 144 CD LYS A 11 -3.689 0.681 -11.885 1.00 0.00 C ATOM 145 CE LYS A 11 -3.749 1.809 -12.904 1.00 0.00 C ATOM 146 NZ LYS A 11 -3.289 1.369 -14.252 1.00 0.00 N ATOM 0 H LYS A 11 -5.757 0.388 -9.332 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.124 1.674 -11.112 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.685 -0.841 -12.701 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.093 0.698 -13.295 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.594 -1.226 -11.477 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.270 -0.938 -13.175 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.959 1.065 -10.901 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.667 0.310 -11.813 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.771 2.181 -12.973 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.130 2.639 -12.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.265 2.186 -14.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.336 0.960 -14.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.945 0.654 -14.626 1.00 0.00 H new ATOM 160 N VAL A 12 -8.724 1.297 -10.221 1.00 0.00 N ATOM 161 CA VAL A 12 -10.146 1.587 -10.173 1.00 0.00 C ATOM 162 C VAL A 12 -10.420 2.692 -9.153 1.00 0.00 C ATOM 163 O VAL A 12 -10.344 2.466 -7.945 1.00 0.00 O ATOM 164 CB VAL A 12 -10.945 0.317 -9.817 1.00 0.00 C ATOM 165 CG1 VAL A 12 -12.312 0.659 -9.236 1.00 0.00 C ATOM 166 CG2 VAL A 12 -11.091 -0.576 -11.039 1.00 0.00 C ATOM 0 H VAL A 12 -8.252 1.377 -9.320 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.467 1.929 -11.157 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.388 -0.223 -9.051 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.846 -0.261 -8.997 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.184 1.250 -8.329 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.884 1.232 -9.965 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.657 -1.468 -10.772 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.617 -0.034 -11.825 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.103 -0.867 -11.397 1.00 0.00 H new ATOM 176 N SER A 13 -10.718 3.892 -9.654 1.00 0.00 N ATOM 177 CA SER A 13 -10.984 5.054 -8.804 1.00 0.00 C ATOM 178 C SER A 13 -11.779 4.686 -7.554 1.00 0.00 C ATOM 179 O SER A 13 -12.873 4.127 -7.641 1.00 0.00 O ATOM 180 CB SER A 13 -11.733 6.120 -9.602 1.00 0.00 C ATOM 181 OG SER A 13 -11.273 6.173 -10.941 1.00 0.00 O ATOM 0 H SER A 13 -10.782 4.085 -10.653 1.00 0.00 H new ATOM 0 HA SER A 13 -10.021 5.445 -8.474 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.801 5.904 -9.590 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.599 7.093 -9.130 1.00 0.00 H new ATOM 0 HG SER A 13 -11.769 6.862 -11.430 1.00 0.00 H new ATOM 187 N GLY A 14 -11.217 5.008 -6.392 1.00 0.00 N ATOM 188 CA GLY A 14 -11.881 4.710 -5.137 1.00 0.00 C ATOM 189 C GLY A 14 -11.390 5.573 -3.991 1.00 0.00 C ATOM 190 O GLY A 14 -10.805 6.635 -4.207 1.00 0.00 O ATOM 0 H GLY A 14 -10.313 5.470 -6.298 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.955 4.851 -5.257 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.723 3.660 -4.888 1.00 0.00 H new ATOM 194 N ILE A 15 -11.633 5.113 -2.769 1.00 0.00 N ATOM 195 CA ILE A 15 -11.221 5.840 -1.573 1.00 0.00 C ATOM 196 C ILE A 15 -10.579 4.908 -0.550 1.00 0.00 C ATOM 197 O ILE A 15 -10.910 3.724 -0.483 1.00 0.00 O ATOM 198 CB ILE A 15 -12.405 6.574 -0.917 1.00 0.00 C ATOM 199 CG1 ILE A 15 -13.045 7.549 -1.907 1.00 0.00 C ATOM 200 CG2 ILE A 15 -11.935 7.312 0.326 1.00 0.00 C ATOM 201 CD1 ILE A 15 -13.876 6.871 -2.974 1.00 0.00 C ATOM 0 H ILE A 15 -12.116 4.235 -2.580 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.486 6.577 -1.896 1.00 0.00 H new ATOM 0 HB ILE A 15 -13.156 5.839 -0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.675 8.249 -1.358 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.260 8.134 -2.387 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -12.779 7.828 0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -11.517 6.599 1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -11.171 8.039 0.050 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.298 7.624 -3.639 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.246 6.191 -3.548 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -14.683 6.309 -2.504 1.00 0.00 H new ATOM 213 N ILE A 16 -9.663 5.450 0.250 1.00 0.00 N ATOM 214 CA ILE A 16 -8.976 4.661 1.267 1.00 0.00 C ATOM 215 C ILE A 16 -9.349 5.110 2.677 1.00 0.00 C ATOM 216 O ILE A 16 -9.613 6.288 2.921 1.00 0.00 O ATOM 217 CB ILE A 16 -7.436 4.737 1.144 1.00 0.00 C ATOM 218 CG1 ILE A 16 -6.999 5.281 -0.219 1.00 0.00 C ATOM 219 CG2 ILE A 16 -6.815 3.374 1.402 1.00 0.00 C ATOM 220 CD1 ILE A 16 -6.398 6.666 -0.135 1.00 0.00 C ATOM 0 H ILE A 16 -9.381 6.429 0.213 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.301 3.635 1.096 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.079 5.435 1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.270 4.600 -0.659 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.859 5.304 -0.888 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -5.731 3.445 1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.074 3.040 2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.194 2.658 0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.108 6.998 -1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.133 7.357 0.278 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -5.520 6.643 0.510 1.00 0.00 H new ATOM 232 N ALA A 17 -9.339 4.158 3.599 1.00 0.00 N ATOM 233 CA ALA A 17 -9.644 4.424 4.997 1.00 0.00 C ATOM 234 C ALA A 17 -8.752 3.569 5.891 1.00 0.00 C ATOM 235 O ALA A 17 -8.674 2.355 5.715 1.00 0.00 O ATOM 236 CB ALA A 17 -11.112 4.151 5.285 1.00 0.00 C ATOM 0 H ALA A 17 -9.120 3.182 3.400 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.449 5.476 5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -11.321 4.355 6.335 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.731 4.794 4.660 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.338 3.107 5.067 1.00 0.00 H new ATOM 242 N ILE A 18 -8.070 4.202 6.840 1.00 0.00 N ATOM 243 CA ILE A 18 -7.181 3.484 7.736 1.00 0.00 C ATOM 244 C ILE A 18 -7.917 3.100 9.020 1.00 0.00 C ATOM 245 O ILE A 18 -8.371 3.962 9.772 1.00 0.00 O ATOM 246 CB ILE A 18 -5.929 4.343 8.054 1.00 0.00 C ATOM 247 CG1 ILE A 18 -4.697 3.794 7.328 1.00 0.00 C ATOM 248 CG2 ILE A 18 -5.679 4.426 9.549 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.358 4.551 6.057 1.00 0.00 C ATOM 0 H ILE A 18 -8.118 5.207 7.005 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.852 2.568 7.245 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.120 5.354 7.693 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.841 3.830 8.002 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.866 2.745 7.083 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.795 5.035 9.737 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.542 4.879 10.038 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.521 3.424 9.948 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.475 4.109 5.595 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.198 4.494 5.364 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.157 5.595 6.298 1.00 0.00 H new ATOM 261 N ASN A 19 -8.046 1.797 9.253 1.00 0.00 N ATOM 262 CA ASN A 19 -8.737 1.296 10.429 1.00 0.00 C ATOM 263 C ASN A 19 -7.763 1.014 11.569 1.00 0.00 C ATOM 264 O ASN A 19 -7.197 -0.075 11.659 1.00 0.00 O ATOM 265 CB ASN A 19 -9.517 0.027 10.084 1.00 0.00 C ATOM 266 CG ASN A 19 -10.960 0.317 9.720 1.00 0.00 C ATOM 267 OD1 ASN A 19 -11.238 1.093 8.805 1.00 0.00 O ATOM 268 ND2 ASN A 19 -11.888 -0.307 10.436 1.00 0.00 N ATOM 0 H ASN A 19 -7.679 1.070 8.639 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.432 2.067 10.760 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.030 -0.481 9.251 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -9.489 -0.655 10.933 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -12.876 -0.151 10.237 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.613 -0.942 11.185 1.00 0.00 H new ATOM 275 N GLU A 20 -7.580 1.998 12.443 1.00 0.00 N ATOM 276 CA GLU A 20 -6.682 1.850 13.581 1.00 0.00 C ATOM 277 C GLU A 20 -7.462 1.504 14.846 1.00 0.00 C ATOM 278 O GLU A 20 -7.032 1.814 15.956 1.00 0.00 O ATOM 279 CB GLU A 20 -5.877 3.132 13.800 1.00 0.00 C ATOM 280 CG GLU A 20 -5.358 3.751 12.513 1.00 0.00 C ATOM 281 CD GLU A 20 -4.380 4.883 12.763 1.00 0.00 C ATOM 282 OE1 GLU A 20 -3.688 4.851 13.802 1.00 0.00 O ATOM 283 OE2 GLU A 20 -4.308 5.801 11.920 1.00 0.00 O ATOM 0 H GLU A 20 -8.042 2.906 12.385 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.994 1.034 13.362 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.502 3.860 14.317 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.033 2.914 14.455 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.871 2.981 11.914 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.199 4.125 11.929 1.00 0.00 H new ATOM 290 N ASP A 21 -8.609 0.852 14.670 1.00 0.00 N ATOM 291 CA ASP A 21 -9.441 0.456 15.799 1.00 0.00 C ATOM 292 C ASP A 21 -8.871 -0.794 16.451 1.00 0.00 C ATOM 293 O ASP A 21 -8.891 -0.938 17.674 1.00 0.00 O ATOM 294 CB ASP A 21 -10.879 0.202 15.340 1.00 0.00 C ATOM 295 CG ASP A 21 -11.900 0.638 16.372 1.00 0.00 C ATOM 296 OD1 ASP A 21 -12.081 -0.088 17.372 1.00 0.00 O ATOM 297 OD2 ASP A 21 -12.519 1.706 16.181 1.00 0.00 O ATOM 0 H ASP A 21 -8.981 0.588 13.758 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.448 1.265 16.529 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.059 0.735 14.407 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.009 -0.860 15.131 1.00 0.00 H new ATOM 302 N VAL A 22 -8.350 -1.688 15.621 1.00 0.00 N ATOM 303 CA VAL A 22 -7.754 -2.923 16.102 1.00 0.00 C ATOM 304 C VAL A 22 -6.512 -2.614 16.938 1.00 0.00 C ATOM 305 O VAL A 22 -6.046 -1.475 16.953 1.00 0.00 O ATOM 306 CB VAL A 22 -7.385 -3.852 14.923 1.00 0.00 C ATOM 307 CG1 VAL A 22 -6.184 -3.313 14.153 1.00 0.00 C ATOM 308 CG2 VAL A 22 -7.133 -5.271 15.411 1.00 0.00 C ATOM 0 H VAL A 22 -8.329 -1.578 14.607 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.485 -3.437 16.726 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.232 -3.878 14.237 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.947 -3.987 13.330 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.419 -2.325 13.757 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.326 -3.241 14.821 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.875 -5.907 14.564 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.311 -5.269 16.127 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.032 -5.655 15.892 1.00 0.00 H new ATOM 318 N SER A 23 -5.979 -3.617 17.636 1.00 0.00 N ATOM 319 CA SER A 23 -4.794 -3.413 18.467 1.00 0.00 C ATOM 320 C SER A 23 -3.736 -2.598 17.714 1.00 0.00 C ATOM 321 O SER A 23 -3.476 -1.447 18.064 1.00 0.00 O ATOM 322 CB SER A 23 -4.224 -4.755 18.941 1.00 0.00 C ATOM 323 OG SER A 23 -2.846 -4.648 19.260 1.00 0.00 O ATOM 0 H SER A 23 -6.345 -4.569 17.643 1.00 0.00 H new ATOM 0 HA SER A 23 -5.089 -2.845 19.349 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.776 -5.098 19.816 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.362 -5.506 18.163 1.00 0.00 H new ATOM 0 HG SER A 23 -2.511 -5.519 19.561 1.00 0.00 H new ATOM 329 N PRO A 24 -3.120 -3.166 16.657 1.00 0.00 N ATOM 330 CA PRO A 24 -2.116 -2.452 15.872 1.00 0.00 C ATOM 331 C PRO A 24 -2.759 -1.411 14.944 1.00 0.00 C ATOM 332 O PRO A 24 -3.031 -0.287 15.365 1.00 0.00 O ATOM 333 CB PRO A 24 -1.434 -3.569 15.081 1.00 0.00 C ATOM 334 CG PRO A 24 -2.492 -4.603 14.909 1.00 0.00 C ATOM 335 CD PRO A 24 -3.358 -4.526 16.138 1.00 0.00 C ATOM 0 HA PRO A 24 -1.420 -1.882 16.488 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.071 -3.209 14.119 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.573 -3.967 15.618 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.077 -4.416 14.008 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.053 -5.595 14.803 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.409 -4.683 15.896 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.082 -5.286 16.869 1.00 0.00 H new ATOM 343 N ALA A 25 -3.006 -1.786 13.686 1.00 0.00 N ATOM 344 CA ALA A 25 -3.619 -0.887 12.720 1.00 0.00 C ATOM 345 C ALA A 25 -3.735 -1.556 11.353 1.00 0.00 C ATOM 346 O ALA A 25 -2.960 -2.454 11.026 1.00 0.00 O ATOM 347 CB ALA A 25 -2.808 0.388 12.614 1.00 0.00 C ATOM 0 H ALA A 25 -2.788 -2.711 13.317 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.624 -0.642 13.064 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.273 1.056 11.889 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.771 0.878 13.587 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.795 0.149 12.290 1.00 0.00 H new ATOM 353 N GLU A 26 -4.705 -1.114 10.559 1.00 0.00 N ATOM 354 CA GLU A 26 -4.914 -1.673 9.233 1.00 0.00 C ATOM 355 C GLU A 26 -5.391 -0.608 8.248 1.00 0.00 C ATOM 356 O GLU A 26 -5.931 0.425 8.642 1.00 0.00 O ATOM 357 CB GLU A 26 -5.928 -2.817 9.293 1.00 0.00 C ATOM 358 CG GLU A 26 -5.689 -3.782 10.441 1.00 0.00 C ATOM 359 CD GLU A 26 -6.817 -4.781 10.608 1.00 0.00 C ATOM 360 OE1 GLU A 26 -7.249 -5.364 9.592 1.00 0.00 O ATOM 361 OE2 GLU A 26 -7.269 -4.979 11.756 1.00 0.00 O ATOM 0 H GLU A 26 -5.357 -0.371 10.812 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.957 -2.058 8.881 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.930 -2.398 9.384 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.897 -3.369 8.353 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.756 -4.319 10.271 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.569 -3.218 11.366 1.00 0.00 H new ATOM 368 N LEU A 27 -5.192 -0.880 6.961 1.00 0.00 N ATOM 369 CA LEU A 27 -5.601 0.029 5.904 1.00 0.00 C ATOM 370 C LEU A 27 -6.700 -0.614 5.060 1.00 0.00 C ATOM 371 O LEU A 27 -6.502 -1.683 4.483 1.00 0.00 O ATOM 372 CB LEU A 27 -4.398 0.391 5.025 1.00 0.00 C ATOM 373 CG LEU A 27 -4.739 1.038 3.680 1.00 0.00 C ATOM 374 CD1 LEU A 27 -3.748 2.144 3.352 1.00 0.00 C ATOM 375 CD2 LEU A 27 -4.756 -0.009 2.575 1.00 0.00 C ATOM 0 H LEU A 27 -4.745 -1.733 6.627 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.992 0.942 6.353 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.753 1.070 5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.821 -0.514 4.838 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.733 1.479 3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.007 2.592 2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.784 2.907 4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.742 1.727 3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.000 0.468 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.775 -0.479 2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.505 -0.767 2.803 1.00 0.00 H new ATOM 387 N THR A 28 -7.858 0.034 4.995 1.00 0.00 N ATOM 388 CA THR A 28 -8.983 -0.490 4.226 1.00 0.00 C ATOM 389 C THR A 28 -9.352 0.445 3.081 1.00 0.00 C ATOM 390 O THR A 28 -9.445 1.657 3.265 1.00 0.00 O ATOM 391 CB THR A 28 -10.195 -0.699 5.136 1.00 0.00 C ATOM 392 OG1 THR A 28 -9.793 -1.206 6.397 1.00 0.00 O ATOM 393 CG2 THR A 28 -11.217 -1.655 4.561 1.00 0.00 C ATOM 0 H THR A 28 -8.043 0.921 5.464 1.00 0.00 H new ATOM 0 HA THR A 28 -8.681 -1.448 3.802 1.00 0.00 H new ATOM 0 HB THR A 28 -10.656 0.284 5.234 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.581 -1.331 6.966 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.050 -1.758 5.256 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.583 -1.267 3.610 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.755 -2.629 4.402 1.00 0.00 H new ATOM 401 N TRP A 29 -9.560 -0.123 1.897 1.00 0.00 N ATOM 402 CA TRP A 29 -9.917 0.672 0.725 1.00 0.00 C ATOM 403 C TRP A 29 -11.054 0.043 -0.068 1.00 0.00 C ATOM 404 O TRP A 29 -11.109 -1.173 -0.240 1.00 0.00 O ATOM 405 CB TRP A 29 -8.717 0.865 -0.209 1.00 0.00 C ATOM 406 CG TRP A 29 -9.104 1.491 -1.522 1.00 0.00 C ATOM 407 CD1 TRP A 29 -8.895 2.784 -1.907 1.00 0.00 C ATOM 408 CD2 TRP A 29 -9.791 0.855 -2.611 1.00 0.00 C ATOM 409 NE1 TRP A 29 -9.420 2.995 -3.160 1.00 0.00 N ATOM 410 CE2 TRP A 29 -9.964 1.823 -3.618 1.00 0.00 C ATOM 411 CE3 TRP A 29 -10.276 -0.440 -2.835 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -10.599 1.538 -4.825 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -10.907 -0.719 -4.032 1.00 0.00 C ATOM 414 CH2 TRP A 29 -11.062 0.266 -5.014 1.00 0.00 C ATOM 0 H TRP A 29 -9.488 -1.126 1.723 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.243 1.640 1.106 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.974 1.492 0.284 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -8.246 -0.100 -0.395 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -8.391 3.532 -1.314 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.407 3.880 -3.667 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.159 -1.208 -2.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -10.721 2.296 -5.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -11.287 -1.714 -4.213 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -11.558 0.016 -5.940 1.00 0.00 H new ATOM 425 N ARG A 30 -11.932 0.894 -0.588 1.00 0.00 N ATOM 426 CA ARG A 30 -13.045 0.441 -1.419 1.00 0.00 C ATOM 427 C ARG A 30 -13.236 1.380 -2.601 1.00 0.00 C ATOM 428 O ARG A 30 -12.784 2.525 -2.575 1.00 0.00 O ATOM 429 CB ARG A 30 -14.350 0.349 -0.628 1.00 0.00 C ATOM 430 CG ARG A 30 -14.875 1.690 -0.157 1.00 0.00 C ATOM 431 CD ARG A 30 -14.039 2.249 0.983 1.00 0.00 C ATOM 432 NE ARG A 30 -14.858 2.957 1.964 1.00 0.00 N ATOM 433 CZ ARG A 30 -14.509 3.132 3.237 1.00 0.00 C ATOM 434 NH1 ARG A 30 -13.353 2.661 3.689 1.00 0.00 N ATOM 435 NH2 ARG A 30 -15.318 3.784 4.062 1.00 0.00 N ATOM 0 H ARG A 30 -11.895 1.904 -0.449 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.795 -0.558 -1.776 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -15.107 -0.130 -1.249 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.195 -0.294 0.238 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -14.874 2.394 -0.989 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -15.910 1.582 0.169 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.506 1.435 1.475 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.286 2.927 0.582 1.00 0.00 H new ATOM 0 HE ARG A 30 -15.751 3.340 1.655 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.725 2.161 3.060 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.093 2.799 4.666 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -16.207 4.151 3.721 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -15.051 3.918 5.037 1.00 0.00 H new ATOM 449 N SER A 31 -13.913 0.895 -3.632 1.00 0.00 N ATOM 450 CA SER A 31 -14.167 1.703 -4.817 1.00 0.00 C ATOM 451 C SER A 31 -15.024 2.913 -4.461 1.00 0.00 C ATOM 452 O SER A 31 -15.636 2.956 -3.394 1.00 0.00 O ATOM 453 CB SER A 31 -14.863 0.867 -5.893 1.00 0.00 C ATOM 454 OG SER A 31 -13.972 -0.079 -6.459 1.00 0.00 O ATOM 0 H SER A 31 -14.295 -0.050 -3.673 1.00 0.00 H new ATOM 0 HA SER A 31 -13.211 2.052 -5.207 1.00 0.00 H new ATOM 0 HB2 SER A 31 -15.719 0.351 -5.459 1.00 0.00 H new ATOM 0 HB3 SER A 31 -15.248 1.522 -6.675 1.00 0.00 H new ATOM 0 HG SER A 31 -14.441 -0.602 -7.143 1.00 0.00 H new ATOM 460 N THR A 32 -15.076 3.890 -5.360 1.00 0.00 N ATOM 461 CA THR A 32 -15.872 5.087 -5.130 1.00 0.00 C ATOM 462 C THR A 32 -17.343 4.725 -5.033 1.00 0.00 C ATOM 463 O THR A 32 -18.120 5.388 -4.346 1.00 0.00 O ATOM 464 CB THR A 32 -15.659 6.102 -6.245 1.00 0.00 C ATOM 465 OG1 THR A 32 -14.387 5.936 -6.848 1.00 0.00 O ATOM 466 CG2 THR A 32 -15.770 7.536 -5.774 1.00 0.00 C ATOM 0 H THR A 32 -14.578 3.876 -6.250 1.00 0.00 H new ATOM 0 HA THR A 32 -15.551 5.535 -4.190 1.00 0.00 H new ATOM 0 HB THR A 32 -16.455 5.911 -6.964 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.388 5.122 -7.394 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.608 8.209 -6.616 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.763 7.707 -5.359 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.019 7.726 -5.008 1.00 0.00 H new ATOM 474 N ASP A 33 -17.708 3.657 -5.723 1.00 0.00 N ATOM 475 CA ASP A 33 -19.075 3.175 -5.726 1.00 0.00 C ATOM 476 C ASP A 33 -19.182 1.907 -6.563 1.00 0.00 C ATOM 477 O ASP A 33 -20.084 1.768 -7.390 1.00 0.00 O ATOM 478 CB ASP A 33 -20.023 4.248 -6.267 1.00 0.00 C ATOM 479 CG ASP A 33 -21.394 4.186 -5.622 1.00 0.00 C ATOM 480 OD1 ASP A 33 -21.784 3.094 -5.159 1.00 0.00 O ATOM 481 OD2 ASP A 33 -22.078 5.231 -5.581 1.00 0.00 O ATOM 0 H ASP A 33 -17.068 3.104 -6.293 1.00 0.00 H new ATOM 0 HA ASP A 33 -19.364 2.946 -4.700 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -19.588 5.233 -6.096 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -20.126 4.128 -7.345 1.00 0.00 H new ATOM 486 N GLY A 34 -18.248 0.984 -6.348 1.00 0.00 N ATOM 487 CA GLY A 34 -18.253 -0.258 -7.098 1.00 0.00 C ATOM 488 C GLY A 34 -18.630 -1.454 -6.248 1.00 0.00 C ATOM 489 O GLY A 34 -18.379 -2.597 -6.630 1.00 0.00 O ATOM 0 H GLY A 34 -17.491 1.074 -5.670 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -18.953 -0.173 -7.929 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.265 -0.421 -7.529 1.00 0.00 H new ATOM 493 N ASP A 35 -19.233 -1.194 -5.092 1.00 0.00 N ATOM 494 CA ASP A 35 -19.643 -2.259 -4.184 1.00 0.00 C ATOM 495 C ASP A 35 -18.518 -3.268 -3.984 1.00 0.00 C ATOM 496 O ASP A 35 -18.760 -4.468 -3.849 1.00 0.00 O ATOM 497 CB ASP A 35 -20.891 -2.964 -4.717 1.00 0.00 C ATOM 498 CG ASP A 35 -21.848 -3.363 -3.610 1.00 0.00 C ATOM 499 OD1 ASP A 35 -21.996 -2.585 -2.645 1.00 0.00 O ATOM 500 OD2 ASP A 35 -22.449 -4.453 -3.709 1.00 0.00 O ATOM 0 H ASP A 35 -19.449 -0.253 -4.762 1.00 0.00 H new ATOM 0 HA ASP A 35 -19.876 -1.808 -3.219 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -21.405 -2.306 -5.418 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -20.593 -3.853 -5.274 1.00 0.00 H new ATOM 505 N LYS A 36 -17.289 -2.769 -3.963 1.00 0.00 N ATOM 506 CA LYS A 36 -16.126 -3.612 -3.777 1.00 0.00 C ATOM 507 C LYS A 36 -15.154 -2.967 -2.796 1.00 0.00 C ATOM 508 O LYS A 36 -14.997 -1.747 -2.776 1.00 0.00 O ATOM 509 CB LYS A 36 -15.449 -3.897 -5.123 1.00 0.00 C ATOM 510 CG LYS A 36 -14.276 -2.985 -5.441 1.00 0.00 C ATOM 511 CD LYS A 36 -12.969 -3.569 -4.932 1.00 0.00 C ATOM 512 CE LYS A 36 -11.849 -3.402 -5.946 1.00 0.00 C ATOM 513 NZ LYS A 36 -10.592 -4.063 -5.500 1.00 0.00 N ATOM 0 H LYS A 36 -17.076 -1.778 -4.074 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.447 -4.565 -3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -15.102 -4.930 -5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.191 -3.804 -5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -14.213 -2.832 -6.518 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -14.440 -2.007 -4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.691 -3.081 -3.998 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.105 -4.627 -4.710 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.160 -3.822 -6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.663 -2.341 -6.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.823 -3.363 -5.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.729 -4.465 -4.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.345 -4.823 -6.165 1.00 0.00 H new ATOM 527 N VAL A 37 -14.510 -3.792 -1.982 1.00 0.00 N ATOM 528 CA VAL A 37 -13.565 -3.303 -0.998 1.00 0.00 C ATOM 529 C VAL A 37 -12.388 -4.253 -0.835 1.00 0.00 C ATOM 530 O VAL A 37 -12.470 -5.434 -1.173 1.00 0.00 O ATOM 531 CB VAL A 37 -14.227 -3.105 0.382 1.00 0.00 C ATOM 532 CG1 VAL A 37 -13.301 -2.354 1.326 1.00 0.00 C ATOM 533 CG2 VAL A 37 -15.562 -2.385 0.250 1.00 0.00 C ATOM 0 H VAL A 37 -14.628 -4.805 -1.987 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.211 -2.342 -1.370 1.00 0.00 H new ATOM 0 HB VAL A 37 -14.416 -4.091 0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -13.791 -2.227 2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.379 -2.920 1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.069 -1.375 0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -16.006 -2.259 1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -15.405 -1.407 -0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -16.232 -2.973 -0.377 1.00 0.00 H new ATOM 543 N HIS A 38 -11.303 -3.723 -0.296 1.00 0.00 N ATOM 544 CA HIS A 38 -10.097 -4.500 -0.054 1.00 0.00 C ATOM 545 C HIS A 38 -9.367 -3.944 1.160 1.00 0.00 C ATOM 546 O HIS A 38 -8.906 -2.803 1.148 1.00 0.00 O ATOM 547 CB HIS A 38 -9.183 -4.468 -1.281 1.00 0.00 C ATOM 548 CG HIS A 38 -9.396 -5.618 -2.215 1.00 0.00 C ATOM 549 ND1 HIS A 38 -8.999 -5.599 -3.536 1.00 0.00 N ATOM 550 CD2 HIS A 38 -9.968 -6.829 -2.014 1.00 0.00 C ATOM 551 CE1 HIS A 38 -9.319 -6.747 -4.106 1.00 0.00 C ATOM 552 NE2 HIS A 38 -9.907 -7.511 -3.205 1.00 0.00 N ATOM 0 H HIS A 38 -11.232 -2.745 -0.014 1.00 0.00 H new ATOM 0 HA HIS A 38 -10.376 -5.536 0.138 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -9.347 -3.536 -1.822 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -8.144 -4.466 -0.950 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -10.393 -7.191 -1.090 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -9.131 -7.015 -5.135 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -10.259 -8.455 -3.367 1.00 0.00 H new ATOM 561 N THR A 39 -9.278 -4.747 2.212 1.00 0.00 N ATOM 562 CA THR A 39 -8.622 -4.323 3.433 1.00 0.00 C ATOM 563 C THR A 39 -7.265 -4.995 3.597 1.00 0.00 C ATOM 564 O THR A 39 -7.111 -6.185 3.322 1.00 0.00 O ATOM 565 CB THR A 39 -9.505 -4.626 4.644 1.00 0.00 C ATOM 566 OG1 THR A 39 -10.866 -4.368 4.349 1.00 0.00 O ATOM 567 CG2 THR A 39 -9.139 -3.818 5.870 1.00 0.00 C ATOM 0 H THR A 39 -9.653 -5.695 2.240 1.00 0.00 H new ATOM 0 HA THR A 39 -8.461 -3.247 3.367 1.00 0.00 H new ATOM 0 HB THR A 39 -9.342 -5.681 4.863 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.366 -4.256 5.184 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.804 -4.082 6.692 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.109 -4.034 6.154 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.240 -2.755 5.649 1.00 0.00 H new ATOM 575 N VAL A 40 -6.286 -4.224 4.056 1.00 0.00 N ATOM 576 CA VAL A 40 -4.942 -4.741 4.267 1.00 0.00 C ATOM 577 C VAL A 40 -4.539 -4.619 5.726 1.00 0.00 C ATOM 578 O VAL A 40 -4.852 -3.633 6.393 1.00 0.00 O ATOM 579 CB VAL A 40 -3.907 -4.010 3.388 1.00 0.00 C ATOM 580 CG1 VAL A 40 -2.505 -4.102 3.980 1.00 0.00 C ATOM 581 CG2 VAL A 40 -3.927 -4.584 1.985 1.00 0.00 C ATOM 0 H VAL A 40 -6.400 -3.237 4.289 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.957 -5.793 3.983 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.179 -2.955 3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.802 -3.576 3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.498 -3.647 4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.211 -5.149 4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.194 -4.064 1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.682 -5.645 2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.920 -4.456 1.554 1.00 0.00 H new ATOM 591 N VAL A 41 -3.841 -5.630 6.210 1.00 0.00 N ATOM 592 CA VAL A 41 -3.386 -5.649 7.587 1.00 0.00 C ATOM 593 C VAL A 41 -1.864 -5.714 7.660 1.00 0.00 C ATOM 594 O VAL A 41 -1.244 -6.597 7.068 1.00 0.00 O ATOM 595 CB VAL A 41 -3.995 -6.842 8.348 1.00 0.00 C ATOM 596 CG1 VAL A 41 -3.314 -8.148 7.958 1.00 0.00 C ATOM 597 CG2 VAL A 41 -3.921 -6.617 9.851 1.00 0.00 C ATOM 0 H VAL A 41 -3.576 -6.452 5.667 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.719 -4.723 8.056 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.045 -6.919 8.068 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.764 -8.972 8.511 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.438 -8.318 6.888 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.252 -8.089 8.195 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.357 -7.472 10.369 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.879 -6.503 10.151 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.474 -5.715 10.111 1.00 0.00 H new ATOM 607 N LEU A 42 -1.264 -4.778 8.388 1.00 0.00 N ATOM 608 CA LEU A 42 0.185 -4.737 8.530 1.00 0.00 C ATOM 609 C LEU A 42 0.731 -6.093 8.959 1.00 0.00 C ATOM 610 O LEU A 42 1.842 -6.473 8.594 1.00 0.00 O ATOM 611 CB LEU A 42 0.585 -3.669 9.536 1.00 0.00 C ATOM 612 CG LEU A 42 1.129 -2.384 8.909 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.330 -1.177 9.374 1.00 0.00 C ATOM 614 CD2 LEU A 42 2.609 -2.212 9.231 1.00 0.00 C ATOM 0 H LEU A 42 -1.759 -4.039 8.888 1.00 0.00 H new ATOM 0 HA LEU A 42 0.614 -4.489 7.559 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.282 -3.421 10.149 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.341 -4.081 10.204 1.00 0.00 H new ATOM 0 HG LEU A 42 1.024 -2.462 7.827 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.734 -0.274 8.916 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.713 -1.296 9.081 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.395 -1.094 10.459 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.976 -1.292 8.776 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.743 -2.160 10.312 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.168 -3.060 8.836 1.00 0.00 H new ATOM 626 N SER A 43 -0.066 -6.826 9.725 1.00 0.00 N ATOM 627 CA SER A 43 0.329 -8.153 10.192 1.00 0.00 C ATOM 628 C SER A 43 0.905 -8.986 9.043 1.00 0.00 C ATOM 629 O SER A 43 1.718 -9.884 9.262 1.00 0.00 O ATOM 630 CB SER A 43 -0.868 -8.876 10.812 1.00 0.00 C ATOM 631 OG SER A 43 -1.566 -8.030 11.710 1.00 0.00 O ATOM 0 H SER A 43 -0.990 -6.527 10.037 1.00 0.00 H new ATOM 0 HA SER A 43 1.102 -8.029 10.951 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.543 -9.211 10.024 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.526 -9.767 11.338 1.00 0.00 H new ATOM 0 HG SER A 43 -2.327 -8.515 12.091 1.00 0.00 H new ATOM 637 N THR A 44 0.486 -8.669 7.817 1.00 0.00 N ATOM 638 CA THR A 44 0.965 -9.369 6.632 1.00 0.00 C ATOM 639 C THR A 44 1.922 -8.478 5.845 1.00 0.00 C ATOM 640 O THR A 44 2.710 -8.954 5.032 1.00 0.00 O ATOM 641 CB THR A 44 -0.221 -9.779 5.759 1.00 0.00 C ATOM 642 OG1 THR A 44 0.117 -10.875 4.928 1.00 0.00 O ATOM 643 CG2 THR A 44 -0.735 -8.666 4.869 1.00 0.00 C ATOM 0 H THR A 44 -0.187 -7.928 7.622 1.00 0.00 H new ATOM 0 HA THR A 44 1.503 -10.266 6.940 1.00 0.00 H new ATOM 0 HB THR A 44 -1.009 -10.046 6.463 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.657 -11.121 4.380 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.576 -9.031 4.279 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.060 -7.828 5.485 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.061 -8.337 4.201 1.00 0.00 H new ATOM 651 N ILE A 45 1.822 -7.178 6.099 1.00 0.00 N ATOM 652 CA ILE A 45 2.651 -6.178 5.438 1.00 0.00 C ATOM 653 C ILE A 45 3.358 -5.296 6.471 1.00 0.00 C ATOM 654 O ILE A 45 2.710 -4.662 7.301 1.00 0.00 O ATOM 655 CB ILE A 45 1.799 -5.306 4.479 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.407 -3.902 4.299 1.00 0.00 C ATOM 657 CG2 ILE A 45 0.351 -5.218 4.952 1.00 0.00 C ATOM 658 CD1 ILE A 45 1.937 -2.878 5.315 1.00 0.00 C ATOM 0 H ILE A 45 1.162 -6.787 6.771 1.00 0.00 H new ATOM 0 HA ILE A 45 3.407 -6.699 4.851 1.00 0.00 H new ATOM 0 HB ILE A 45 1.805 -5.795 3.505 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.493 -3.980 4.356 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.166 -3.541 3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.221 -4.600 4.260 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.081 -6.218 4.988 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.319 -4.773 5.946 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.415 -1.919 5.113 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.855 -2.766 5.245 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.203 -3.212 6.318 1.00 0.00 H new ATOM 670 N ASP A 46 4.690 -5.266 6.432 1.00 0.00 N ATOM 671 CA ASP A 46 5.446 -4.464 7.392 1.00 0.00 C ATOM 672 C ASP A 46 6.353 -3.441 6.721 1.00 0.00 C ATOM 673 O ASP A 46 7.354 -3.014 7.297 1.00 0.00 O ATOM 674 CB ASP A 46 6.268 -5.369 8.312 1.00 0.00 C ATOM 675 CG ASP A 46 6.446 -4.777 9.696 1.00 0.00 C ATOM 676 OD1 ASP A 46 6.276 -3.548 9.843 1.00 0.00 O ATOM 677 OD2 ASP A 46 6.756 -5.542 10.633 1.00 0.00 O ATOM 0 H ASP A 46 5.259 -5.778 5.758 1.00 0.00 H new ATOM 0 HA ASP A 46 4.716 -3.908 7.980 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.778 -6.339 8.395 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.247 -5.543 7.866 1.00 0.00 H new ATOM 682 N LYS A 47 5.990 -3.035 5.517 1.00 0.00 N ATOM 683 CA LYS A 47 6.770 -2.035 4.786 1.00 0.00 C ATOM 684 C LYS A 47 5.914 -1.289 3.768 1.00 0.00 C ATOM 685 O LYS A 47 5.082 -1.881 3.081 1.00 0.00 O ATOM 686 CB LYS A 47 7.975 -2.671 4.085 1.00 0.00 C ATOM 687 CG LYS A 47 8.395 -4.010 4.665 1.00 0.00 C ATOM 688 CD LYS A 47 9.573 -4.595 3.905 1.00 0.00 C ATOM 689 CE LYS A 47 9.819 -6.048 4.282 1.00 0.00 C ATOM 690 NZ LYS A 47 11.195 -6.259 4.809 1.00 0.00 N ATOM 0 H LYS A 47 5.166 -3.376 5.022 1.00 0.00 H new ATOM 0 HA LYS A 47 7.132 -1.318 5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.739 -2.803 3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.818 -1.983 4.140 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.662 -3.887 5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.555 -4.704 4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.387 -4.523 2.833 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.468 -4.008 4.113 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.091 -6.357 5.033 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.664 -6.681 3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.323 -7.262 5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.890 -5.989 4.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.335 -5.674 5.658 1.00 0.00 H new ATOM 704 N LEU A 48 6.135 0.021 3.678 1.00 0.00 N ATOM 705 CA LEU A 48 5.399 0.868 2.746 1.00 0.00 C ATOM 706 C LEU A 48 6.368 1.652 1.857 1.00 0.00 C ATOM 707 O LEU A 48 7.364 2.191 2.337 1.00 0.00 O ATOM 708 CB LEU A 48 4.495 1.842 3.512 1.00 0.00 C ATOM 709 CG LEU A 48 5.228 2.953 4.268 1.00 0.00 C ATOM 710 CD1 LEU A 48 4.266 4.072 4.643 1.00 0.00 C ATOM 711 CD2 LEU A 48 5.910 2.394 5.508 1.00 0.00 C ATOM 0 H LEU A 48 6.822 0.520 4.243 1.00 0.00 H new ATOM 0 HA LEU A 48 4.780 0.229 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.802 2.300 2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.896 1.274 4.224 1.00 0.00 H new ATOM 0 HG LEU A 48 5.994 3.367 3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.806 4.852 5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.826 4.492 3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.476 3.674 5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.426 3.198 6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.162 1.952 6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.631 1.631 5.214 1.00 0.00 H new ATOM 723 N GLN A 49 6.068 1.714 0.564 1.00 0.00 N ATOM 724 CA GLN A 49 6.908 2.437 -0.389 1.00 0.00 C ATOM 725 C GLN A 49 6.128 3.593 -1.011 1.00 0.00 C ATOM 726 O GLN A 49 5.092 3.385 -1.641 1.00 0.00 O ATOM 727 CB GLN A 49 7.401 1.487 -1.484 1.00 0.00 C ATOM 728 CG GLN A 49 8.898 1.229 -1.437 1.00 0.00 C ATOM 729 CD GLN A 49 9.711 2.509 -1.438 1.00 0.00 C ATOM 730 OE1 GLN A 49 9.795 3.204 -2.451 1.00 0.00 O ATOM 731 NE2 GLN A 49 10.315 2.827 -0.299 1.00 0.00 N ATOM 0 H GLN A 49 5.248 1.272 0.149 1.00 0.00 H new ATOM 0 HA GLN A 49 7.770 2.841 0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.874 0.537 -1.394 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.143 1.903 -2.458 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.136 0.653 -0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.185 0.620 -2.294 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.218 2.221 0.516 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.876 3.677 -0.239 1.00 0.00 H new ATOM 740 N ALA A 50 6.629 4.811 -0.829 1.00 0.00 N ATOM 741 CA ALA A 50 5.972 5.997 -1.371 1.00 0.00 C ATOM 742 C ALA A 50 6.950 6.845 -2.178 1.00 0.00 C ATOM 743 O ALA A 50 8.164 6.670 -2.082 1.00 0.00 O ATOM 744 CB ALA A 50 5.352 6.819 -0.248 1.00 0.00 C ATOM 0 H ALA A 50 7.487 5.003 -0.311 1.00 0.00 H new ATOM 0 HA ALA A 50 5.179 5.669 -2.043 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.866 7.700 -0.667 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.615 6.215 0.281 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.131 7.131 0.447 1.00 0.00 H new ATOM 750 N THR A 51 6.411 7.761 -2.975 1.00 0.00 N ATOM 751 CA THR A 51 7.236 8.635 -3.802 1.00 0.00 C ATOM 752 C THR A 51 7.713 9.850 -3.010 1.00 0.00 C ATOM 753 O THR A 51 7.206 10.133 -1.925 1.00 0.00 O ATOM 754 CB THR A 51 6.458 9.092 -5.040 1.00 0.00 C ATOM 755 OG1 THR A 51 5.093 8.725 -4.942 1.00 0.00 O ATOM 756 CG2 THR A 51 6.997 8.513 -6.330 1.00 0.00 C ATOM 0 H THR A 51 5.407 7.918 -3.066 1.00 0.00 H new ATOM 0 HA THR A 51 8.110 8.067 -4.121 1.00 0.00 H new ATOM 0 HB THR A 51 6.573 10.176 -5.069 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.879 8.073 -5.641 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.402 8.876 -7.168 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.034 8.821 -6.461 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.943 7.425 -6.291 1.00 0.00 H new ATOM 764 N PRO A 52 8.700 10.586 -3.549 1.00 0.00 N ATOM 765 CA PRO A 52 9.247 11.775 -2.893 1.00 0.00 C ATOM 766 C PRO A 52 8.307 12.972 -2.989 1.00 0.00 C ATOM 767 O PRO A 52 7.395 12.993 -3.815 1.00 0.00 O ATOM 768 CB PRO A 52 10.534 12.040 -3.672 1.00 0.00 C ATOM 769 CG PRO A 52 10.266 11.501 -5.034 1.00 0.00 C ATOM 770 CD PRO A 52 9.359 10.315 -4.842 1.00 0.00 C ATOM 0 HA PRO A 52 9.401 11.622 -1.825 1.00 0.00 H new ATOM 0 HB2 PRO A 52 10.765 13.105 -3.705 1.00 0.00 H new ATOM 0 HB3 PRO A 52 11.387 11.543 -3.210 1.00 0.00 H new ATOM 0 HG2 PRO A 52 9.795 12.254 -5.665 1.00 0.00 H new ATOM 0 HG3 PRO A 52 11.193 11.207 -5.526 1.00 0.00 H new ATOM 0 HD2 PRO A 52 8.634 10.230 -5.651 1.00 0.00 H new ATOM 0 HD3 PRO A 52 9.920 9.381 -4.818 1.00 0.00 H new ATOM 778 N ALA A 53 8.535 13.967 -2.138 1.00 0.00 N ATOM 779 CA ALA A 53 7.707 15.167 -2.126 1.00 0.00 C ATOM 780 C ALA A 53 7.979 16.038 -3.348 1.00 0.00 C ATOM 781 O ALA A 53 7.100 16.763 -3.813 1.00 0.00 O ATOM 782 CB ALA A 53 7.946 15.958 -0.849 1.00 0.00 C ATOM 0 H ALA A 53 9.286 13.966 -1.448 1.00 0.00 H new ATOM 0 HA ALA A 53 6.663 14.857 -2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.322 16.852 -0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.693 15.342 0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 53 8.995 16.248 -0.792 1.00 0.00 H new ATOM 788 N SER A 54 9.202 15.964 -3.863 1.00 0.00 N ATOM 789 CA SER A 54 9.588 16.750 -5.030 1.00 0.00 C ATOM 790 C SER A 54 8.941 16.205 -6.299 1.00 0.00 C ATOM 791 O SER A 54 8.752 16.933 -7.274 1.00 0.00 O ATOM 792 CB SER A 54 11.110 16.761 -5.184 1.00 0.00 C ATOM 793 OG SER A 54 11.555 17.976 -5.762 1.00 0.00 O ATOM 0 H SER A 54 9.942 15.369 -3.491 1.00 0.00 H new ATOM 0 HA SER A 54 9.237 17.770 -4.877 1.00 0.00 H new ATOM 0 HB2 SER A 54 11.578 16.625 -4.209 1.00 0.00 H new ATOM 0 HB3 SER A 54 11.422 15.923 -5.807 1.00 0.00 H new ATOM 0 HG SER A 54 12.531 17.959 -5.848 1.00 0.00 H new ATOM 799 N SER A 55 8.605 14.922 -6.280 1.00 0.00 N ATOM 800 CA SER A 55 7.980 14.277 -7.428 1.00 0.00 C ATOM 801 C SER A 55 6.573 14.818 -7.659 1.00 0.00 C ATOM 802 O SER A 55 5.905 15.261 -6.724 1.00 0.00 O ATOM 803 CB SER A 55 7.930 12.762 -7.225 1.00 0.00 C ATOM 804 OG SER A 55 6.995 12.158 -8.103 1.00 0.00 O ATOM 0 H SER A 55 8.755 14.306 -5.481 1.00 0.00 H new ATOM 0 HA SER A 55 8.583 14.498 -8.309 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.919 12.337 -7.394 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.660 12.539 -6.193 1.00 0.00 H new ATOM 0 HG SER A 55 6.984 11.190 -7.954 1.00 0.00 H new ATOM 810 N GLU A 56 6.127 14.777 -8.910 1.00 0.00 N ATOM 811 CA GLU A 56 4.798 15.260 -9.264 1.00 0.00 C ATOM 812 C GLU A 56 3.752 14.168 -9.063 1.00 0.00 C ATOM 813 O GLU A 56 2.593 14.452 -8.759 1.00 0.00 O ATOM 814 CB GLU A 56 4.777 15.742 -10.716 1.00 0.00 C ATOM 815 CG GLU A 56 3.688 16.763 -11.003 1.00 0.00 C ATOM 816 CD GLU A 56 3.676 17.211 -12.451 1.00 0.00 C ATOM 817 OE1 GLU A 56 4.737 17.132 -13.106 1.00 0.00 O ATOM 818 OE2 GLU A 56 2.606 17.640 -12.931 1.00 0.00 O ATOM 0 H GLU A 56 6.667 14.414 -9.696 1.00 0.00 H new ATOM 0 HA GLU A 56 4.556 16.096 -8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.746 16.179 -10.959 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.640 14.883 -11.373 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.718 16.335 -10.751 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.830 17.631 -10.359 1.00 0.00 H new ATOM 825 N LYS A 57 4.170 12.918 -9.235 1.00 0.00 N ATOM 826 CA LYS A 57 3.270 11.781 -9.072 1.00 0.00 C ATOM 827 C LYS A 57 2.690 11.746 -7.661 1.00 0.00 C ATOM 828 O LYS A 57 2.793 12.719 -6.913 1.00 0.00 O ATOM 829 CB LYS A 57 4.010 10.475 -9.369 1.00 0.00 C ATOM 830 CG LYS A 57 3.221 9.514 -10.244 1.00 0.00 C ATOM 831 CD LYS A 57 4.128 8.762 -11.206 1.00 0.00 C ATOM 832 CE LYS A 57 3.728 7.300 -11.324 1.00 0.00 C ATOM 833 NZ LYS A 57 3.000 7.024 -12.593 1.00 0.00 N ATOM 0 H LYS A 57 5.126 12.666 -9.487 1.00 0.00 H new ATOM 0 HA LYS A 57 2.448 11.892 -9.779 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.956 10.706 -9.859 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.251 9.982 -8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.687 8.802 -9.614 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.470 10.067 -10.808 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.087 9.232 -12.189 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.160 8.831 -10.863 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.619 6.675 -11.273 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.098 7.026 -10.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.745 6.017 -12.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.136 7.602 -12.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.610 7.261 -13.402 1.00 0.00 H new ATOM 847 N MET A 58 2.081 10.620 -7.303 1.00 0.00 N ATOM 848 CA MET A 58 1.486 10.461 -5.982 1.00 0.00 C ATOM 849 C MET A 58 0.929 9.054 -5.799 1.00 0.00 C ATOM 850 O MET A 58 -0.245 8.807 -6.066 1.00 0.00 O ATOM 851 CB MET A 58 0.370 11.491 -5.773 1.00 0.00 C ATOM 852 CG MET A 58 -0.687 11.481 -6.869 1.00 0.00 C ATOM 853 SD MET A 58 -0.503 12.852 -8.025 1.00 0.00 S ATOM 854 CE MET A 58 -1.581 14.072 -7.278 1.00 0.00 C ATOM 0 H MET A 58 1.987 9.805 -7.909 1.00 0.00 H new ATOM 0 HA MET A 58 2.268 10.623 -5.240 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.112 11.301 -4.814 1.00 0.00 H new ATOM 0 HB3 MET A 58 0.812 12.486 -5.716 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.629 10.540 -7.416 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.677 11.525 -6.414 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.574 14.981 -7.880 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.596 13.678 -7.227 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.230 14.300 -6.272 1.00 0.00 H new ATOM 864 N MET A 59 1.773 8.131 -5.342 1.00 0.00 N ATOM 865 CA MET A 59 1.338 6.754 -5.127 1.00 0.00 C ATOM 866 C MET A 59 2.312 5.977 -4.249 1.00 0.00 C ATOM 867 O MET A 59 3.499 6.295 -4.185 1.00 0.00 O ATOM 868 CB MET A 59 1.163 6.027 -6.457 1.00 0.00 C ATOM 869 CG MET A 59 2.159 6.408 -7.534 1.00 0.00 C ATOM 870 SD MET A 59 3.849 6.643 -6.947 1.00 0.00 S ATOM 871 CE MET A 59 4.772 6.387 -8.465 1.00 0.00 C ATOM 0 H MET A 59 2.751 8.309 -5.116 1.00 0.00 H new ATOM 0 HA MET A 59 0.379 6.804 -4.611 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.236 4.954 -6.279 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.157 6.220 -6.829 1.00 0.00 H new ATOM 0 HG2 MET A 59 2.159 5.633 -8.300 1.00 0.00 H new ATOM 0 HG3 MET A 59 1.823 7.328 -8.012 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.740 5.942 -8.232 1.00 0.00 H new ATOM 0 HE2 MET A 59 4.214 5.719 -9.122 1.00 0.00 H new ATOM 0 HE3 MET A 59 4.923 7.344 -8.965 1.00 0.00 H new ATOM 881 N LEU A 60 1.807 4.941 -3.584 1.00 0.00 N ATOM 882 CA LEU A 60 2.654 4.113 -2.738 1.00 0.00 C ATOM 883 C LEU A 60 2.219 2.648 -2.759 1.00 0.00 C ATOM 884 O LEU A 60 1.056 2.332 -3.014 1.00 0.00 O ATOM 885 CB LEU A 60 2.682 4.625 -1.295 1.00 0.00 C ATOM 886 CG LEU A 60 1.483 5.467 -0.874 1.00 0.00 C ATOM 887 CD1 LEU A 60 0.208 4.638 -0.893 1.00 0.00 C ATOM 888 CD2 LEU A 60 1.720 6.063 0.505 1.00 0.00 C ATOM 0 H LEU A 60 0.827 4.659 -3.615 1.00 0.00 H new ATOM 0 HA LEU A 60 3.661 4.179 -3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.755 3.768 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.587 5.217 -1.155 1.00 0.00 H new ATOM 0 HG LEU A 60 1.363 6.282 -1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.634 5.259 -0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.035 4.260 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.308 3.800 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.857 6.662 0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.864 5.260 1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.609 6.694 0.481 1.00 0.00 H new ATOM 900 N ARG A 61 3.174 1.763 -2.485 1.00 0.00 N ATOM 901 CA ARG A 61 2.925 0.327 -2.461 1.00 0.00 C ATOM 902 C ARG A 61 3.384 -0.255 -1.126 1.00 0.00 C ATOM 903 O ARG A 61 4.397 0.171 -0.577 1.00 0.00 O ATOM 904 CB ARG A 61 3.659 -0.362 -3.622 1.00 0.00 C ATOM 905 CG ARG A 61 5.078 -0.800 -3.283 1.00 0.00 C ATOM 906 CD ARG A 61 5.873 -1.154 -4.529 1.00 0.00 C ATOM 907 NE ARG A 61 7.315 -1.098 -4.289 1.00 0.00 N ATOM 908 CZ ARG A 61 8.032 -2.116 -3.817 1.00 0.00 C ATOM 909 NH1 ARG A 61 7.449 -3.271 -3.521 1.00 0.00 N ATOM 910 NH2 ARG A 61 9.338 -1.976 -3.635 1.00 0.00 N ATOM 0 H ARG A 61 4.138 2.021 -2.274 1.00 0.00 H new ATOM 0 HA ARG A 61 1.855 0.152 -2.576 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.085 -1.234 -3.935 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.693 0.319 -4.472 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.586 -0.001 -2.743 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.043 -1.662 -2.617 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.599 -2.155 -4.863 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.612 -0.467 -5.334 1.00 0.00 H new ATOM 0 HE ARG A 61 7.801 -0.225 -4.496 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.444 -3.384 -3.655 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.006 -4.046 -3.160 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.792 -1.090 -3.856 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.889 -2.755 -3.274 1.00 0.00 H new ATOM 924 N LEU A 62 2.642 -1.221 -0.606 1.00 0.00 N ATOM 925 CA LEU A 62 2.996 -1.838 0.668 1.00 0.00 C ATOM 926 C LEU A 62 3.478 -3.265 0.475 1.00 0.00 C ATOM 927 O LEU A 62 2.908 -4.039 -0.293 1.00 0.00 O ATOM 928 CB LEU A 62 1.822 -1.790 1.648 1.00 0.00 C ATOM 929 CG LEU A 62 0.705 -0.805 1.295 1.00 0.00 C ATOM 930 CD1 LEU A 62 -0.597 -1.212 1.969 1.00 0.00 C ATOM 931 CD2 LEU A 62 1.095 0.609 1.696 1.00 0.00 C ATOM 0 H LEU A 62 1.798 -1.594 -1.040 1.00 0.00 H new ATOM 0 HA LEU A 62 3.817 -1.262 1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.392 -2.789 1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.207 -1.536 2.636 1.00 0.00 H new ATOM 0 HG LEU A 62 0.555 -0.827 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.380 -0.501 1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.885 -2.208 1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.460 -1.219 3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.289 1.296 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.273 0.646 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.003 0.900 1.168 1.00 0.00 H new ATOM 943 N ILE A 63 4.553 -3.584 1.177 1.00 0.00 N ATOM 944 CA ILE A 63 5.173 -4.894 1.107 1.00 0.00 C ATOM 945 C ILE A 63 4.561 -5.858 2.122 1.00 0.00 C ATOM 946 O ILE A 63 4.325 -5.494 3.270 1.00 0.00 O ATOM 947 CB ILE A 63 6.688 -4.758 1.361 1.00 0.00 C ATOM 948 CG1 ILE A 63 7.456 -4.778 0.042 1.00 0.00 C ATOM 949 CG2 ILE A 63 7.192 -5.835 2.301 1.00 0.00 C ATOM 950 CD1 ILE A 63 7.808 -3.393 -0.451 1.00 0.00 C ATOM 0 H ILE A 63 5.021 -2.938 1.813 1.00 0.00 H new ATOM 0 HA ILE A 63 4.998 -5.302 0.112 1.00 0.00 H new ATOM 0 HB ILE A 63 6.862 -3.797 1.845 1.00 0.00 H new ATOM 0 HG12 ILE A 63 8.371 -5.357 0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.858 -5.287 -0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.263 -5.709 2.458 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.674 -5.756 3.257 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.002 -6.816 1.866 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.353 -3.469 -1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.894 -2.819 -0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.431 -2.891 0.289 1.00 0.00 H new ATOM 962 N GLY A 64 4.337 -7.098 1.699 1.00 0.00 N ATOM 963 CA GLY A 64 3.783 -8.099 2.596 1.00 0.00 C ATOM 964 C GLY A 64 4.865 -8.783 3.412 1.00 0.00 C ATOM 965 O GLY A 64 4.832 -9.997 3.598 1.00 0.00 O ATOM 0 H GLY A 64 4.528 -7.428 0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.064 -7.628 3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.238 -8.845 2.017 1.00 0.00 H new ATOM 969 N LYS A 65 5.825 -7.984 3.886 1.00 0.00 N ATOM 970 CA LYS A 65 6.963 -8.456 4.682 1.00 0.00 C ATOM 971 C LYS A 65 7.529 -9.778 4.164 1.00 0.00 C ATOM 972 O LYS A 65 6.802 -10.647 3.689 1.00 0.00 O ATOM 973 CB LYS A 65 6.607 -8.569 6.166 1.00 0.00 C ATOM 974 CG LYS A 65 5.171 -8.975 6.445 1.00 0.00 C ATOM 975 CD LYS A 65 4.960 -10.468 6.244 1.00 0.00 C ATOM 976 CE LYS A 65 4.894 -11.205 7.572 1.00 0.00 C ATOM 977 NZ LYS A 65 4.832 -12.681 7.386 1.00 0.00 N ATOM 0 H LYS A 65 5.834 -6.977 3.726 1.00 0.00 H new ATOM 0 HA LYS A 65 7.743 -7.702 4.574 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.273 -9.296 6.631 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.799 -7.609 6.646 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.908 -8.705 7.468 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.502 -8.421 5.787 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.037 -10.635 5.688 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.773 -10.874 5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.768 -10.951 8.172 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.018 -10.872 8.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.788 -13.146 8.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.984 -12.926 6.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.680 -13.003 6.877 1.00 0.00 H new ATOM 991 N VAL A 66 8.845 -9.919 4.249 1.00 0.00 N ATOM 992 CA VAL A 66 9.510 -11.118 3.781 1.00 0.00 C ATOM 993 C VAL A 66 10.209 -11.857 4.916 1.00 0.00 C ATOM 994 O VAL A 66 10.539 -11.270 5.947 1.00 0.00 O ATOM 995 CB VAL A 66 10.529 -10.798 2.684 1.00 0.00 C ATOM 996 CG1 VAL A 66 10.835 -12.039 1.858 1.00 0.00 C ATOM 997 CG2 VAL A 66 10.032 -9.664 1.796 1.00 0.00 C ATOM 0 H VAL A 66 9.470 -9.214 4.639 1.00 0.00 H new ATOM 0 HA VAL A 66 8.733 -11.763 3.371 1.00 0.00 H new ATOM 0 HB VAL A 66 11.452 -10.471 3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.561 -11.791 1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.245 -12.815 2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.918 -12.402 1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.773 -9.455 1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.092 -9.954 1.327 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.875 -8.771 2.400 1.00 0.00 H new ATOM 1311 N ARG A 86 2.855 -7.928 -2.338 1.00 0.00 N ATOM 1312 CA ARG A 86 2.817 -6.477 -2.192 1.00 0.00 C ATOM 1313 C ARG A 86 1.661 -5.878 -2.989 1.00 0.00 C ATOM 1314 O ARG A 86 1.272 -6.398 -4.034 1.00 0.00 O ATOM 1315 CB ARG A 86 4.152 -5.868 -2.641 1.00 0.00 C ATOM 1316 CG ARG A 86 4.102 -4.374 -2.935 1.00 0.00 C ATOM 1317 CD ARG A 86 4.109 -4.092 -4.431 1.00 0.00 C ATOM 1318 NE ARG A 86 3.194 -4.964 -5.165 1.00 0.00 N ATOM 1319 CZ ARG A 86 3.570 -6.062 -5.821 1.00 0.00 C ATOM 1320 NH1 ARG A 86 4.842 -6.443 -5.830 1.00 0.00 N ATOM 1321 NH2 ARG A 86 2.666 -6.786 -6.468 1.00 0.00 N ATOM 0 HA ARG A 86 2.657 -6.241 -1.140 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.897 -6.047 -1.866 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.491 -6.390 -3.536 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.205 -3.945 -2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.956 -3.883 -2.468 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.833 -3.052 -4.604 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.120 -4.222 -4.818 1.00 0.00 H new ATOM 0 HE ARG A 86 2.205 -4.717 -5.176 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.542 -5.894 -5.332 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.119 -7.285 -6.335 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.686 -6.502 -6.463 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.951 -7.627 -6.971 1.00 0.00 H new ATOM 1335 N HIS A 87 1.131 -4.773 -2.484 1.00 0.00 N ATOM 1336 CA HIS A 87 0.028 -4.076 -3.137 1.00 0.00 C ATOM 1337 C HIS A 87 0.451 -2.660 -3.512 1.00 0.00 C ATOM 1338 O HIS A 87 1.213 -2.022 -2.786 1.00 0.00 O ATOM 1339 CB HIS A 87 -1.195 -4.033 -2.219 1.00 0.00 C ATOM 1340 CG HIS A 87 -1.530 -5.358 -1.607 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -2.133 -6.381 -2.308 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -1.343 -5.826 -0.350 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -2.303 -7.420 -1.510 1.00 0.00 C ATOM 1344 NE2 HIS A 87 -1.831 -7.109 -0.317 1.00 0.00 N ATOM 0 H HIS A 87 1.448 -4.336 -1.619 1.00 0.00 H new ATOM 0 HA HIS A 87 -0.237 -4.618 -4.045 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.017 -3.309 -1.424 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.054 -3.677 -2.788 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.894 -5.290 0.473 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -2.752 -8.363 -1.786 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -1.829 -7.723 0.498 1.00 0.00 H new ATOM 1353 N MET A 88 -0.033 -2.173 -4.650 1.00 0.00 N ATOM 1354 CA MET A 88 0.320 -0.834 -5.104 1.00 0.00 C ATOM 1355 C MET A 88 -0.906 -0.057 -5.589 1.00 0.00 C ATOM 1356 O MET A 88 -1.569 -0.454 -6.548 1.00 0.00 O ATOM 1357 CB MET A 88 1.382 -0.917 -6.212 1.00 0.00 C ATOM 1358 CG MET A 88 0.819 -1.179 -7.603 1.00 0.00 C ATOM 1359 SD MET A 88 1.982 -2.042 -8.683 1.00 0.00 S ATOM 1360 CE MET A 88 1.498 -1.417 -10.294 1.00 0.00 C ATOM 0 H MET A 88 -0.665 -2.680 -5.269 1.00 0.00 H new ATOM 0 HA MET A 88 0.732 -0.290 -4.254 1.00 0.00 H new ATOM 0 HB2 MET A 88 1.944 0.017 -6.231 1.00 0.00 H new ATOM 0 HB3 MET A 88 2.088 -1.709 -5.964 1.00 0.00 H new ATOM 0 HG2 MET A 88 -0.093 -1.769 -7.515 1.00 0.00 H new ATOM 0 HG3 MET A 88 0.541 -0.230 -8.061 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.381 -1.315 -10.925 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.798 -2.112 -10.759 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.020 -0.444 -10.178 1.00 0.00 H new ATOM 1370 N PHE A 89 -1.188 1.062 -4.926 1.00 0.00 N ATOM 1371 CA PHE A 89 -2.317 1.911 -5.294 1.00 0.00 C ATOM 1372 C PHE A 89 -1.849 3.355 -5.467 1.00 0.00 C ATOM 1373 O PHE A 89 -0.863 3.770 -4.858 1.00 0.00 O ATOM 1374 CB PHE A 89 -3.436 1.812 -4.249 1.00 0.00 C ATOM 1375 CG PHE A 89 -3.131 2.483 -2.941 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -2.186 1.958 -2.076 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.805 3.636 -2.572 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -1.917 2.572 -0.867 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.543 4.254 -1.366 1.00 0.00 C ATOM 1380 CZ PHE A 89 -2.597 3.722 -0.512 1.00 0.00 C ATOM 0 H PHE A 89 -0.649 1.402 -4.130 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.723 1.564 -6.244 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.343 2.251 -4.665 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.648 0.759 -4.062 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.653 1.059 -2.349 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.545 4.057 -3.237 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.177 2.154 -0.201 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.077 5.152 -1.091 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.389 4.204 0.432 1.00 0.00 H new ATOM 1390 N SER A 90 -2.535 4.111 -6.322 1.00 0.00 N ATOM 1391 CA SER A 90 -2.148 5.494 -6.587 1.00 0.00 C ATOM 1392 C SER A 90 -3.043 6.499 -5.869 1.00 0.00 C ATOM 1393 O SER A 90 -4.203 6.221 -5.581 1.00 0.00 O ATOM 1394 CB SER A 90 -2.161 5.767 -8.094 1.00 0.00 C ATOM 1395 OG SER A 90 -3.419 6.264 -8.518 1.00 0.00 O ATOM 0 H SER A 90 -3.355 3.792 -6.839 1.00 0.00 H new ATOM 0 HA SER A 90 -1.138 5.623 -6.198 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.381 6.487 -8.342 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.930 4.849 -8.634 1.00 0.00 H new ATOM 0 HG SER A 90 -3.396 6.430 -9.484 1.00 0.00 H new ATOM 1401 N PHE A 91 -2.484 7.677 -5.595 1.00 0.00 N ATOM 1402 CA PHE A 91 -3.209 8.746 -4.917 1.00 0.00 C ATOM 1403 C PHE A 91 -3.732 9.770 -5.914 1.00 0.00 C ATOM 1404 O PHE A 91 -3.385 9.743 -7.095 1.00 0.00 O ATOM 1405 CB PHE A 91 -2.298 9.472 -3.933 1.00 0.00 C ATOM 1406 CG PHE A 91 -1.966 8.695 -2.701 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -2.960 8.113 -1.936 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -0.653 8.567 -2.299 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -2.645 7.414 -0.787 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -0.331 7.872 -1.154 1.00 0.00 C ATOM 1411 CZ PHE A 91 -1.327 7.294 -0.394 1.00 0.00 C ATOM 0 H PHE A 91 -1.522 7.915 -5.836 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.043 8.284 -4.390 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -1.370 9.733 -4.442 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -2.775 10.407 -3.639 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.992 8.206 -2.240 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.132 9.017 -2.889 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.429 6.962 -0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.702 7.780 -0.851 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.077 6.750 0.505 1.00 0.00 H new ATOM 1421 N ASN A 92 -4.552 10.687 -5.417 1.00 0.00 N ATOM 1422 CA ASN A 92 -5.110 11.746 -6.244 1.00 0.00 C ATOM 1423 C ASN A 92 -5.248 13.036 -5.437 1.00 0.00 C ATOM 1424 O ASN A 92 -6.089 13.882 -5.737 1.00 0.00 O ATOM 1425 CB ASN A 92 -6.471 11.327 -6.805 1.00 0.00 C ATOM 1426 CG ASN A 92 -6.440 9.944 -7.424 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -6.243 8.945 -6.732 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -6.635 9.878 -8.736 1.00 0.00 N ATOM 0 H ASN A 92 -4.846 10.717 -4.441 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.430 11.925 -7.077 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -7.212 11.348 -6.006 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -6.790 12.051 -7.555 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.625 8.974 -9.208 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.795 10.731 -9.271 1.00 0.00 H new ATOM 1435 N ASN A 93 -4.411 13.176 -4.410 1.00 0.00 N ATOM 1436 CA ASN A 93 -4.431 14.358 -3.555 1.00 0.00 C ATOM 1437 C ASN A 93 -3.128 14.478 -2.767 1.00 0.00 C ATOM 1438 O ASN A 93 -2.529 13.474 -2.381 1.00 0.00 O ATOM 1439 CB ASN A 93 -5.623 14.299 -2.596 1.00 0.00 C ATOM 1440 CG ASN A 93 -6.618 15.416 -2.842 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -6.528 16.487 -2.241 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -7.576 15.171 -3.729 1.00 0.00 N ATOM 0 H ASN A 93 -3.709 12.482 -4.151 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.532 15.238 -4.190 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.126 13.338 -2.704 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.263 14.357 -1.569 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -8.275 15.885 -3.935 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -7.613 14.269 -4.204 1.00 0.00 H new ATOM 1449 N ARG A 94 -2.692 15.713 -2.540 1.00 0.00 N ATOM 1450 CA ARG A 94 -1.456 15.971 -1.806 1.00 0.00 C ATOM 1451 C ARG A 94 -1.568 15.544 -0.343 1.00 0.00 C ATOM 1452 O ARG A 94 -0.654 14.930 0.203 1.00 0.00 O ATOM 1453 CB ARG A 94 -1.095 17.455 -1.887 1.00 0.00 C ATOM 1454 CG ARG A 94 0.401 17.721 -1.837 1.00 0.00 C ATOM 1455 CD ARG A 94 1.044 17.539 -3.203 1.00 0.00 C ATOM 1456 NE ARG A 94 2.123 18.497 -3.431 1.00 0.00 N ATOM 1457 CZ ARG A 94 1.929 19.799 -3.633 1.00 0.00 C ATOM 1458 NH1 ARG A 94 0.700 20.301 -3.635 1.00 0.00 N ATOM 1459 NH2 ARG A 94 2.966 20.600 -3.833 1.00 0.00 N ATOM 0 H ARG A 94 -3.177 16.553 -2.854 1.00 0.00 H new ATOM 0 HA ARG A 94 -0.668 15.378 -2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.498 17.869 -2.811 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.577 17.983 -1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.580 18.736 -1.482 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.868 17.045 -1.121 1.00 0.00 H new ATOM 0 HD2 ARG A 94 1.435 16.525 -3.288 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.287 17.654 -3.979 1.00 0.00 H new ATOM 0 HE ARG A 94 3.081 18.148 -3.436 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.101 19.689 -3.481 1.00 0.00 H new ATOM 0 HH12 ARG A 94 0.557 21.299 -3.790 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.912 20.219 -3.832 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.818 21.597 -3.988 1.00 0.00 H new ATOM 1473 N THR A 95 -2.684 15.888 0.290 1.00 0.00 N ATOM 1474 CA THR A 95 -2.902 15.553 1.692 1.00 0.00 C ATOM 1475 C THR A 95 -3.260 14.083 1.870 1.00 0.00 C ATOM 1476 O THR A 95 -2.891 13.464 2.867 1.00 0.00 O ATOM 1477 CB THR A 95 -4.006 16.433 2.278 1.00 0.00 C ATOM 1478 OG1 THR A 95 -3.999 17.714 1.675 1.00 0.00 O ATOM 1479 CG2 THR A 95 -3.886 16.629 3.774 1.00 0.00 C ATOM 0 H THR A 95 -3.452 16.399 -0.146 1.00 0.00 H new ATOM 0 HA THR A 95 -1.969 15.737 2.225 1.00 0.00 H new ATOM 0 HB THR A 95 -4.936 15.904 2.071 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.714 18.262 2.062 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.701 17.263 4.124 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.939 15.661 4.273 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.932 17.104 4.003 1.00 0.00 H new ATOM 1487 N VAL A 96 -3.982 13.527 0.907 1.00 0.00 N ATOM 1488 CA VAL A 96 -4.387 12.127 0.972 1.00 0.00 C ATOM 1489 C VAL A 96 -3.177 11.214 1.145 1.00 0.00 C ATOM 1490 O VAL A 96 -3.193 10.294 1.962 1.00 0.00 O ATOM 1491 CB VAL A 96 -5.166 11.707 -0.293 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -5.347 10.195 -0.348 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -6.512 12.413 -0.343 1.00 0.00 C ATOM 0 H VAL A 96 -4.299 14.021 0.073 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.040 12.024 1.838 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.585 12.005 -1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.899 9.927 -1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.370 9.712 -0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.902 9.863 0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.050 12.107 -1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.095 12.147 0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.357 13.492 -0.363 1.00 0.00 H new ATOM 1503 N MET A 97 -2.134 11.469 0.364 1.00 0.00 N ATOM 1504 CA MET A 97 -0.925 10.660 0.427 1.00 0.00 C ATOM 1505 C MET A 97 -0.157 10.892 1.726 1.00 0.00 C ATOM 1506 O MET A 97 0.238 9.941 2.399 1.00 0.00 O ATOM 1507 CB MET A 97 -0.026 10.939 -0.787 1.00 0.00 C ATOM 1508 CG MET A 97 0.743 12.250 -0.720 1.00 0.00 C ATOM 1509 SD MET A 97 2.335 12.082 0.110 1.00 0.00 S ATOM 1510 CE MET A 97 3.109 10.817 -0.894 1.00 0.00 C ATOM 0 H MET A 97 -2.102 12.227 -0.318 1.00 0.00 H new ATOM 0 HA MET A 97 -1.229 9.613 0.407 1.00 0.00 H new ATOM 0 HB2 MET A 97 0.686 10.120 -0.890 1.00 0.00 H new ATOM 0 HB3 MET A 97 -0.642 10.941 -1.686 1.00 0.00 H new ATOM 0 HG2 MET A 97 0.903 12.625 -1.731 1.00 0.00 H new ATOM 0 HG3 MET A 97 0.141 12.993 -0.196 1.00 0.00 H new ATOM 0 HE1 MET A 97 4.170 11.040 -1.007 1.00 0.00 H new ATOM 0 HE2 MET A 97 2.992 9.847 -0.411 1.00 0.00 H new ATOM 0 HE3 MET A 97 2.637 10.793 -1.876 1.00 0.00 H new ATOM 1520 N ASP A 98 0.064 12.156 2.067 1.00 0.00 N ATOM 1521 CA ASP A 98 0.801 12.501 3.276 1.00 0.00 C ATOM 1522 C ASP A 98 0.032 12.149 4.541 1.00 0.00 C ATOM 1523 O ASP A 98 0.628 11.736 5.536 1.00 0.00 O ATOM 1524 CB ASP A 98 1.154 13.990 3.276 1.00 0.00 C ATOM 1525 CG ASP A 98 2.493 14.266 3.929 1.00 0.00 C ATOM 1526 OD1 ASP A 98 3.325 13.336 3.996 1.00 0.00 O ATOM 1527 OD2 ASP A 98 2.712 15.413 4.374 1.00 0.00 O ATOM 0 H ASP A 98 -0.256 12.958 1.524 1.00 0.00 H new ATOM 0 HA ASP A 98 1.716 11.909 3.274 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.171 14.357 2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 98 0.376 14.545 3.800 1.00 0.00 H new ATOM 1532 N ASN A 99 -1.285 12.325 4.520 1.00 0.00 N ATOM 1533 CA ASN A 99 -2.088 12.030 5.699 1.00 0.00 C ATOM 1534 C ASN A 99 -1.932 10.570 6.104 1.00 0.00 C ATOM 1535 O ASN A 99 -1.622 10.269 7.257 1.00 0.00 O ATOM 1536 CB ASN A 99 -3.561 12.344 5.428 1.00 0.00 C ATOM 1537 CG ASN A 99 -3.883 13.813 5.615 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -3.042 14.593 6.065 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -5.106 14.200 5.272 1.00 0.00 N ATOM 0 H ASN A 99 -1.811 12.664 3.715 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.737 12.657 6.519 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -3.812 12.047 4.410 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -4.185 11.750 6.096 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -5.380 15.177 5.377 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -5.771 13.520 4.903 1.00 0.00 H new ATOM 1546 N ILE A 100 -2.119 9.667 5.149 1.00 0.00 N ATOM 1547 CA ILE A 100 -1.964 8.249 5.417 1.00 0.00 C ATOM 1548 C ILE A 100 -0.490 7.858 5.492 1.00 0.00 C ATOM 1549 O ILE A 100 -0.096 7.082 6.359 1.00 0.00 O ATOM 1550 CB ILE A 100 -2.688 7.370 4.381 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -4.203 7.528 4.520 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.280 5.913 4.538 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -4.987 6.656 3.569 1.00 0.00 C ATOM 0 H ILE A 100 -2.377 9.893 4.188 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.429 8.069 6.386 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.398 7.697 3.382 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.493 7.289 5.543 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.469 8.571 4.348 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.802 5.307 3.797 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.204 5.819 4.391 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.541 5.568 5.538 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.054 6.819 3.722 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.725 6.910 2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.749 5.609 3.756 1.00 0.00 H new ATOM 1565 N LYS A 101 0.327 8.393 4.578 1.00 0.00 N ATOM 1566 CA LYS A 101 1.753 8.074 4.568 1.00 0.00 C ATOM 1567 C LYS A 101 2.354 8.364 5.930 1.00 0.00 C ATOM 1568 O LYS A 101 3.169 7.598 6.441 1.00 0.00 O ATOM 1569 CB LYS A 101 2.484 8.865 3.475 1.00 0.00 C ATOM 1570 CG LYS A 101 4.000 8.775 3.560 1.00 0.00 C ATOM 1571 CD LYS A 101 4.590 9.971 4.289 1.00 0.00 C ATOM 1572 CE LYS A 101 5.096 11.023 3.316 1.00 0.00 C ATOM 1573 NZ LYS A 101 6.259 10.535 2.526 1.00 0.00 N ATOM 0 H LYS A 101 0.028 9.039 3.847 1.00 0.00 H new ATOM 0 HA LYS A 101 1.871 7.013 4.347 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.162 8.501 2.499 1.00 0.00 H new ATOM 0 HB3 LYS A 101 2.188 9.912 3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.282 7.858 4.076 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.419 8.717 2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.834 10.410 4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.409 9.641 4.928 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.291 11.308 2.639 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.382 11.919 3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.828 11.346 2.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.844 9.912 3.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.919 10.006 1.698 1.00 0.00 H new ATOM 1587 N MET A 102 1.914 9.460 6.522 1.00 0.00 N ATOM 1588 CA MET A 102 2.374 9.847 7.846 1.00 0.00 C ATOM 1589 C MET A 102 1.832 8.866 8.881 1.00 0.00 C ATOM 1590 O MET A 102 2.437 8.654 9.931 1.00 0.00 O ATOM 1591 CB MET A 102 1.919 11.270 8.178 1.00 0.00 C ATOM 1592 CG MET A 102 2.846 12.346 7.637 1.00 0.00 C ATOM 1593 SD MET A 102 4.019 12.937 8.873 1.00 0.00 S ATOM 1594 CE MET A 102 3.084 14.273 9.615 1.00 0.00 C ATOM 0 H MET A 102 1.237 10.100 6.107 1.00 0.00 H new ATOM 0 HA MET A 102 3.464 9.824 7.863 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.919 11.427 7.774 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.845 11.376 9.260 1.00 0.00 H new ATOM 0 HG2 MET A 102 3.394 11.952 6.781 1.00 0.00 H new ATOM 0 HG3 MET A 102 2.251 13.185 7.276 1.00 0.00 H new ATOM 0 HE1 MET A 102 3.678 14.740 10.401 1.00 0.00 H new ATOM 0 HE2 MET A 102 2.842 15.015 8.854 1.00 0.00 H new ATOM 0 HE3 MET A 102 2.162 13.878 10.043 1.00 0.00 H new ATOM 1604 N THR A 103 0.686 8.264 8.563 1.00 0.00 N ATOM 1605 CA THR A 103 0.054 7.299 9.438 1.00 0.00 C ATOM 1606 C THR A 103 0.738 5.943 9.309 1.00 0.00 C ATOM 1607 O THR A 103 1.172 5.360 10.299 1.00 0.00 O ATOM 1608 CB THR A 103 -1.433 7.182 9.074 1.00 0.00 C ATOM 1609 OG1 THR A 103 -2.223 8.010 9.907 1.00 0.00 O ATOM 1610 CG2 THR A 103 -1.983 5.778 9.171 1.00 0.00 C ATOM 0 H THR A 103 0.179 8.436 7.695 1.00 0.00 H new ATOM 0 HA THR A 103 0.147 7.633 10.471 1.00 0.00 H new ATOM 0 HB THR A 103 -1.487 7.496 8.032 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.166 7.921 9.657 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.038 5.781 8.898 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.435 5.125 8.492 1.00 0.00 H new ATOM 0 HG23 THR A 103 -1.874 5.414 10.193 1.00 0.00 H new ATOM 1618 N LEU A 104 0.833 5.456 8.075 1.00 0.00 N ATOM 1619 CA LEU A 104 1.462 4.172 7.807 1.00 0.00 C ATOM 1620 C LEU A 104 2.906 4.177 8.267 1.00 0.00 C ATOM 1621 O LEU A 104 3.425 3.168 8.741 1.00 0.00 O ATOM 1622 CB LEU A 104 1.370 3.834 6.316 1.00 0.00 C ATOM 1623 CG LEU A 104 0.223 2.891 5.936 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -0.556 3.432 4.741 1.00 0.00 C ATOM 1625 CD2 LEU A 104 0.760 1.497 5.641 1.00 0.00 C ATOM 0 H LEU A 104 0.481 5.934 7.246 1.00 0.00 H new ATOM 0 HA LEU A 104 0.930 3.404 8.368 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.259 4.762 5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.311 3.382 6.002 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.462 2.828 6.782 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.364 2.744 4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.974 4.407 4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.112 3.531 3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.066 0.838 5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.468 1.547 4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.263 1.106 6.525 1.00 0.00 H new ATOM 1637 N GLN A 105 3.541 5.326 8.137 1.00 0.00 N ATOM 1638 CA GLN A 105 4.923 5.485 8.550 1.00 0.00 C ATOM 1639 C GLN A 105 5.087 5.124 10.021 1.00 0.00 C ATOM 1640 O GLN A 105 6.089 4.527 10.417 1.00 0.00 O ATOM 1641 CB GLN A 105 5.351 6.927 8.317 1.00 0.00 C ATOM 1642 CG GLN A 105 6.270 7.108 7.121 1.00 0.00 C ATOM 1643 CD GLN A 105 7.586 6.371 7.279 1.00 0.00 C ATOM 1644 OE1 GLN A 105 7.765 5.276 6.746 1.00 0.00 O ATOM 1645 NE2 GLN A 105 8.514 6.969 8.017 1.00 0.00 N ATOM 0 H GLN A 105 3.119 6.168 7.746 1.00 0.00 H new ATOM 0 HA GLN A 105 5.551 4.816 7.962 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.462 7.542 8.177 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.856 7.295 9.210 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.765 6.753 6.223 1.00 0.00 H new ATOM 0 HG3 GLN A 105 6.468 8.170 6.977 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.322 7.877 8.440 1.00 0.00 H new ATOM 0 HE22 GLN A 105 9.419 6.520 8.161 1.00 0.00 H new ATOM 1654 N GLN A 106 4.096 5.491 10.828 1.00 0.00 N ATOM 1655 CA GLN A 106 4.133 5.205 12.253 1.00 0.00 C ATOM 1656 C GLN A 106 3.787 3.750 12.526 1.00 0.00 C ATOM 1657 O GLN A 106 4.501 3.056 13.250 1.00 0.00 O ATOM 1658 CB GLN A 106 3.173 6.126 13.009 1.00 0.00 C ATOM 1659 CG GLN A 106 3.738 7.513 13.267 1.00 0.00 C ATOM 1660 CD GLN A 106 4.784 7.522 14.364 1.00 0.00 C ATOM 1661 OE1 GLN A 106 5.800 6.832 14.275 1.00 0.00 O ATOM 1662 NE2 GLN A 106 4.541 8.306 15.408 1.00 0.00 N ATOM 0 H GLN A 106 3.260 5.986 10.517 1.00 0.00 H new ATOM 0 HA GLN A 106 5.148 5.388 12.606 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.248 6.220 12.440 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.915 5.665 13.962 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.178 7.899 12.347 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.926 8.187 13.539 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.686 8.861 15.441 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.209 8.353 16.177 1.00 0.00 H new ATOM 1671 N ILE A 107 2.690 3.290 11.938 1.00 0.00 N ATOM 1672 CA ILE A 107 2.253 1.912 12.117 1.00 0.00 C ATOM 1673 C ILE A 107 3.335 0.951 11.652 1.00 0.00 C ATOM 1674 O ILE A 107 3.710 0.028 12.375 1.00 0.00 O ATOM 1675 CB ILE A 107 0.947 1.620 11.359 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -0.021 2.796 11.492 1.00 0.00 C ATOM 1677 CG2 ILE A 107 0.311 0.344 11.891 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -1.357 2.550 10.840 1.00 0.00 C ATOM 0 H ILE A 107 2.088 3.850 11.334 1.00 0.00 H new ATOM 0 HA ILE A 107 2.065 1.769 13.181 1.00 0.00 H new ATOM 0 HB ILE A 107 1.177 1.483 10.302 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.176 3.012 12.549 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.433 3.682 11.049 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.613 0.145 11.349 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.999 -0.490 11.754 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.091 0.462 12.952 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.993 3.425 10.973 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.214 2.364 9.776 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.832 1.683 11.299 1.00 0.00 H new ATOM 1690 N ILE A 108 3.862 1.190 10.453 1.00 0.00 N ATOM 1691 CA ILE A 108 4.930 0.358 9.920 1.00 0.00 C ATOM 1692 C ILE A 108 6.065 0.299 10.926 1.00 0.00 C ATOM 1693 O ILE A 108 6.690 -0.741 11.133 1.00 0.00 O ATOM 1694 CB ILE A 108 5.441 0.896 8.563 1.00 0.00 C ATOM 1695 CG1 ILE A 108 5.758 -0.262 7.616 1.00 0.00 C ATOM 1696 CG2 ILE A 108 6.660 1.794 8.739 1.00 0.00 C ATOM 1697 CD1 ILE A 108 4.580 -0.685 6.765 1.00 0.00 C ATOM 0 H ILE A 108 3.567 1.949 9.838 1.00 0.00 H new ATOM 0 HA ILE A 108 4.538 -0.644 9.747 1.00 0.00 H new ATOM 0 HB ILE A 108 4.647 1.501 8.125 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.582 0.027 6.964 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.099 -1.116 8.201 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.991 2.153 7.765 1.00 0.00 H new ATOM 0 HG22 ILE A 108 6.398 2.644 9.369 1.00 0.00 H new ATOM 0 HG23 ILE A 108 7.464 1.228 9.209 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.877 -1.510 6.118 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.762 -1.006 7.410 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.252 0.156 6.154 1.00 0.00 H new ATOM 1709 N SER A 109 6.293 1.435 11.568 1.00 0.00 N ATOM 1710 CA SER A 109 7.321 1.543 12.589 1.00 0.00 C ATOM 1711 C SER A 109 6.909 0.733 13.811 1.00 0.00 C ATOM 1712 O SER A 109 7.743 0.113 14.472 1.00 0.00 O ATOM 1713 CB SER A 109 7.541 3.007 12.976 1.00 0.00 C ATOM 1714 OG SER A 109 8.603 3.578 12.231 1.00 0.00 O ATOM 0 H SER A 109 5.777 2.298 11.398 1.00 0.00 H new ATOM 0 HA SER A 109 8.257 1.150 12.193 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.626 3.573 12.803 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.762 3.075 14.041 1.00 0.00 H new ATOM 0 HG SER A 109 8.722 4.514 12.496 1.00 0.00 H new ATOM 1720 N ARG A 110 5.607 0.733 14.096 1.00 0.00 N ATOM 1721 CA ARG A 110 5.072 -0.014 15.228 1.00 0.00 C ATOM 1722 C ARG A 110 5.285 -1.509 15.024 1.00 0.00 C ATOM 1723 O ARG A 110 5.678 -2.224 15.945 1.00 0.00 O ATOM 1724 CB ARG A 110 3.578 0.273 15.404 1.00 0.00 C ATOM 1725 CG ARG A 110 3.255 1.738 15.648 1.00 0.00 C ATOM 1726 CD ARG A 110 2.040 1.893 16.548 1.00 0.00 C ATOM 1727 NE ARG A 110 2.384 1.760 17.961 1.00 0.00 N ATOM 1728 CZ ARG A 110 1.578 2.118 18.958 1.00 0.00 C ATOM 1729 NH1 ARG A 110 0.382 2.632 18.701 1.00 0.00 N ATOM 1730 NH2 ARG A 110 1.969 1.962 20.215 1.00 0.00 N ATOM 0 H ARG A 110 4.906 1.242 13.558 1.00 0.00 H new ATOM 0 HA ARG A 110 5.601 0.304 16.126 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.047 -0.062 14.513 1.00 0.00 H new ATOM 0 HB3 ARG A 110 3.201 -0.316 16.240 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.114 2.231 16.104 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.071 2.236 14.696 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.584 2.868 16.376 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.295 1.142 16.284 1.00 0.00 H new ATOM 0 HE ARG A 110 3.296 1.370 18.198 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.076 2.754 17.736 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.232 2.905 19.469 1.00 0.00 H new ATOM 0 HH21 ARG A 110 2.887 1.568 20.418 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.351 2.236 20.979 1.00 0.00 H new ATOM 1744 N TYR A 111 5.021 -1.972 13.805 1.00 0.00 N ATOM 1745 CA TYR A 111 5.183 -3.381 13.472 1.00 0.00 C ATOM 1746 C TYR A 111 6.659 -3.762 13.424 1.00 0.00 C ATOM 1747 O TYR A 111 7.022 -4.913 13.665 1.00 0.00 O ATOM 1748 CB TYR A 111 4.518 -3.686 12.128 1.00 0.00 C ATOM 1749 CG TYR A 111 3.028 -3.923 12.232 1.00 0.00 C ATOM 1750 CD1 TYR A 111 2.136 -2.859 12.302 1.00 0.00 C ATOM 1751 CD2 TYR A 111 2.515 -5.213 12.264 1.00 0.00 C ATOM 1752 CE1 TYR A 111 0.775 -3.075 12.400 1.00 0.00 C ATOM 1753 CE2 TYR A 111 1.155 -5.438 12.361 1.00 0.00 C ATOM 1754 CZ TYR A 111 0.290 -4.368 12.429 1.00 0.00 C ATOM 1755 OH TYR A 111 -1.065 -4.591 12.522 1.00 0.00 O ATOM 0 H TYR A 111 4.694 -1.391 13.033 1.00 0.00 H new ATOM 0 HA TYR A 111 4.701 -3.973 14.250 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.699 -2.856 11.445 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.988 -4.567 11.691 1.00 0.00 H new ATOM 0 HD1 TYR A 111 2.513 -1.847 12.279 1.00 0.00 H new ATOM 0 HD2 TYR A 111 3.190 -6.054 12.212 1.00 0.00 H new ATOM 0 HE1 TYR A 111 0.094 -2.238 12.454 1.00 0.00 H new ATOM 0 HE2 TYR A 111 0.772 -6.448 12.383 1.00 0.00 H new ATOM 0 HH TYR A 111 -1.546 -3.888 12.037 1.00 0.00 H new ATOM 1765 N LYS A 112 7.507 -2.786 13.112 1.00 0.00 N ATOM 1766 CA LYS A 112 8.944 -3.018 13.036 1.00 0.00 C ATOM 1767 C LYS A 112 9.582 -2.940 14.420 1.00 0.00 C ATOM 1768 O LYS A 112 10.590 -3.594 14.687 1.00 0.00 O ATOM 1769 CB LYS A 112 9.597 -1.996 12.103 1.00 0.00 C ATOM 1770 CG LYS A 112 9.093 -2.071 10.670 1.00 0.00 C ATOM 1771 CD LYS A 112 10.052 -2.847 9.782 1.00 0.00 C ATOM 1772 CE LYS A 112 10.154 -2.228 8.397 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.557 -2.208 7.899 1.00 0.00 N ATOM 0 H LYS A 112 7.223 -1.828 12.908 1.00 0.00 H new ATOM 0 HA LYS A 112 9.105 -4.020 12.637 1.00 0.00 H new ATOM 0 HB2 LYS A 112 9.415 -0.994 12.491 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.676 -2.149 12.108 1.00 0.00 H new ATOM 0 HG2 LYS A 112 8.113 -2.548 10.652 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.965 -1.063 10.275 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.039 -2.871 10.244 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.715 -3.880 9.696 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.530 -2.790 7.702 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.764 -1.210 8.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.583 -1.778 6.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.148 -1.651 8.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.921 -3.181 7.848 1.00 0.00 H new ATOM 1787 N ASP A 113 8.988 -2.136 15.297 1.00 0.00 N ATOM 1788 CA ASP A 113 9.500 -1.974 16.653 1.00 0.00 C ATOM 1789 C ASP A 113 9.048 -3.125 17.546 1.00 0.00 C ATOM 1790 O ASP A 113 9.837 -3.673 18.316 1.00 0.00 O ATOM 1791 CB ASP A 113 9.031 -0.643 17.242 1.00 0.00 C ATOM 1792 CG ASP A 113 9.620 -0.379 18.614 1.00 0.00 C ATOM 1793 OD1 ASP A 113 10.829 -0.632 18.800 1.00 0.00 O ATOM 1794 OD2 ASP A 113 8.872 0.082 19.502 1.00 0.00 O ATOM 0 H ASP A 113 8.153 -1.587 15.093 1.00 0.00 H new ATOM 0 HA ASP A 113 10.589 -1.979 16.606 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.309 0.167 16.568 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.943 -0.642 17.310 1.00 0.00 H new ATOM 1799 N ALA A 114 7.774 -3.487 17.437 1.00 0.00 N ATOM 1800 CA ALA A 114 7.217 -4.573 18.235 1.00 0.00 C ATOM 1801 C ALA A 114 7.932 -5.888 17.947 1.00 0.00 C ATOM 1802 O ALA A 114 8.390 -6.571 18.863 1.00 0.00 O ATOM 1803 CB ALA A 114 5.726 -4.711 17.969 1.00 0.00 C ATOM 0 H ALA A 114 7.108 -3.044 16.804 1.00 0.00 H new ATOM 0 HA ALA A 114 7.366 -4.332 19.287 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.323 -5.525 18.571 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.222 -3.781 18.232 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.563 -4.926 16.913 1.00 0.00 H new ATOM 1809 N ASP A 115 8.024 -6.238 16.668 1.00 0.00 N ATOM 1810 CA ASP A 115 8.683 -7.473 16.259 1.00 0.00 C ATOM 1811 C ASP A 115 10.156 -7.461 16.657 1.00 0.00 C ATOM 1812 O ASP A 115 10.761 -8.552 16.715 1.00 0.00 O ATOM 1813 CB ASP A 115 8.554 -7.668 14.747 1.00 0.00 C ATOM 1814 CG ASP A 115 7.276 -8.388 14.364 1.00 0.00 C ATOM 1815 OD1 ASP A 115 6.189 -7.922 14.766 1.00 0.00 O ATOM 1816 OD2 ASP A 115 7.362 -9.417 13.662 1.00 0.00 O ATOM 1817 OXT ASP A 115 10.691 -6.361 16.908 1.00 0.00 O ATOM 0 H ASP A 115 7.651 -5.684 15.897 1.00 0.00 H new ATOM 0 HA ASP A 115 8.193 -8.303 16.769 1.00 0.00 H new ATOM 0 HB2 ASP A 115 8.582 -6.696 14.254 1.00 0.00 H new ATOM 0 HB3 ASP A 115 9.411 -8.235 14.382 1.00 0.00 H new ATOM 2088 N PHE B 475 6.453 0.276 -13.107 1.00 0.00 N ATOM 2089 CA PHE B 475 5.873 0.999 -11.988 1.00 0.00 C ATOM 2090 C PHE B 475 6.666 0.723 -10.720 1.00 0.00 C ATOM 2091 O PHE B 475 6.704 1.554 -9.819 1.00 0.00 O ATOM 2092 CB PHE B 475 4.392 0.601 -11.838 1.00 0.00 C ATOM 2093 CG PHE B 475 3.736 0.930 -10.520 1.00 0.00 C ATOM 2094 CD1 PHE B 475 4.171 0.352 -9.336 1.00 0.00 C ATOM 2095 CD2 PHE B 475 2.656 1.800 -10.477 1.00 0.00 C ATOM 2096 CE1 PHE B 475 3.547 0.641 -8.138 1.00 0.00 C ATOM 2097 CE2 PHE B 475 2.028 2.089 -9.282 1.00 0.00 C ATOM 2098 CZ PHE B 475 2.473 1.510 -8.112 1.00 0.00 C ATOM 0 HA PHE B 475 5.919 2.072 -12.172 1.00 0.00 H new ATOM 0 HB2 PHE B 475 3.826 1.088 -12.632 1.00 0.00 H new ATOM 0 HB3 PHE B 475 4.309 -0.474 -12.001 1.00 0.00 H new ATOM 0 HD1 PHE B 475 5.007 -0.332 -9.351 1.00 0.00 H new ATOM 0 HD2 PHE B 475 2.302 2.257 -11.390 1.00 0.00 H new ATOM 0 HE1 PHE B 475 3.898 0.188 -7.223 1.00 0.00 H new ATOM 0 HE2 PHE B 475 1.189 2.768 -9.263 1.00 0.00 H new ATOM 0 HZ PHE B 475 1.983 1.736 -7.177 1.00 0.00 H new ATOM 2108 N GLU B 476 7.313 -0.439 -10.651 1.00 0.00 N ATOM 2109 CA GLU B 476 8.102 -0.776 -9.479 1.00 0.00 C ATOM 2110 C GLU B 476 9.420 -0.013 -9.464 1.00 0.00 C ATOM 2111 O GLU B 476 9.976 0.249 -8.398 1.00 0.00 O ATOM 2112 CB GLU B 476 8.368 -2.271 -9.387 1.00 0.00 C ATOM 2113 CG GLU B 476 7.226 -3.059 -8.764 1.00 0.00 C ATOM 2114 CD GLU B 476 7.243 -4.522 -9.162 1.00 0.00 C ATOM 2115 OE1 GLU B 476 7.532 -4.813 -10.341 1.00 0.00 O ATOM 2116 OE2 GLU B 476 6.965 -5.376 -8.294 1.00 0.00 O ATOM 0 H GLU B 476 7.305 -1.150 -11.383 1.00 0.00 H new ATOM 0 HA GLU B 476 7.515 -0.481 -8.609 1.00 0.00 H new ATOM 0 HB2 GLU B 476 8.562 -2.659 -10.387 1.00 0.00 H new ATOM 0 HB3 GLU B 476 9.272 -2.435 -8.801 1.00 0.00 H new ATOM 0 HG2 GLU B 476 7.285 -2.981 -7.678 1.00 0.00 H new ATOM 0 HG3 GLU B 476 6.277 -2.615 -9.064 1.00 0.00 H new ATOM 2123 N GLN B 477 9.914 0.364 -10.642 1.00 0.00 N ATOM 2124 CA GLN B 477 11.163 1.119 -10.717 1.00 0.00 C ATOM 2125 C GLN B 477 10.964 2.481 -10.081 1.00 0.00 C ATOM 2126 O GLN B 477 11.834 2.975 -9.364 1.00 0.00 O ATOM 2127 CB GLN B 477 11.661 1.240 -12.164 1.00 0.00 C ATOM 2128 CG GLN B 477 10.904 2.257 -13.004 1.00 0.00 C ATOM 2129 CD GLN B 477 11.712 3.512 -13.271 1.00 0.00 C ATOM 2130 OE1 GLN B 477 12.536 3.919 -12.452 1.00 0.00 O ATOM 2131 NE2 GLN B 477 11.480 4.132 -14.421 1.00 0.00 N ATOM 0 H GLN B 477 9.478 0.164 -11.542 1.00 0.00 H new ATOM 0 HA GLN B 477 11.935 0.582 -10.166 1.00 0.00 H new ATOM 0 HB2 GLN B 477 12.717 1.511 -12.151 1.00 0.00 H new ATOM 0 HB3 GLN B 477 11.588 0.264 -12.644 1.00 0.00 H new ATOM 0 HG2 GLN B 477 10.624 1.801 -13.954 1.00 0.00 H new ATOM 0 HG3 GLN B 477 9.979 2.527 -12.494 1.00 0.00 H new ATOM 0 HE21 GLN B 477 10.788 3.759 -15.071 1.00 0.00 H new ATOM 0 HE22 GLN B 477 11.994 4.981 -14.655 1.00 0.00 H new ATOM 2140 N MET B 478 9.782 3.049 -10.282 1.00 0.00 N ATOM 2141 CA MET B 478 9.448 4.311 -9.652 1.00 0.00 C ATOM 2142 C MET B 478 8.924 4.005 -8.253 1.00 0.00 C ATOM 2143 O MET B 478 8.450 4.886 -7.535 1.00 0.00 O ATOM 2144 CB MET B 478 8.387 5.053 -10.462 1.00 0.00 C ATOM 2145 CG MET B 478 8.961 5.902 -11.583 1.00 0.00 C ATOM 2146 SD MET B 478 8.095 7.472 -11.779 1.00 0.00 S ATOM 2147 CE MET B 478 8.203 8.131 -10.116 1.00 0.00 C ATOM 0 H MET B 478 9.047 2.657 -10.871 1.00 0.00 H new ATOM 0 HA MET B 478 10.330 4.950 -9.600 1.00 0.00 H new ATOM 0 HB2 MET B 478 7.693 4.328 -10.886 1.00 0.00 H new ATOM 0 HB3 MET B 478 7.811 5.692 -9.792 1.00 0.00 H new ATOM 0 HG2 MET B 478 10.015 6.095 -11.384 1.00 0.00 H new ATOM 0 HG3 MET B 478 8.910 5.344 -12.518 1.00 0.00 H new ATOM 0 HE1 MET B 478 8.366 9.208 -10.161 1.00 0.00 H new ATOM 0 HE2 MET B 478 7.275 7.926 -9.583 1.00 0.00 H new ATOM 0 HE3 MET B 478 9.034 7.660 -9.591 1.00 0.00 H new ATOM 2157 N PHE B 479 8.998 2.719 -7.900 1.00 0.00 N ATOM 2158 CA PHE B 479 8.525 2.224 -6.626 1.00 0.00 C ATOM 2159 C PHE B 479 9.594 1.428 -5.887 1.00 0.00 C ATOM 2160 O PHE B 479 9.274 0.525 -5.114 1.00 0.00 O ATOM 2161 CB PHE B 479 7.304 1.347 -6.854 1.00 0.00 C ATOM 2162 CG PHE B 479 6.026 2.095 -6.666 1.00 0.00 C ATOM 2163 CD1 PHE B 479 5.518 2.896 -7.674 1.00 0.00 C ATOM 2164 CD2 PHE B 479 5.341 2.009 -5.474 1.00 0.00 C ATOM 2165 CE1 PHE B 479 4.347 3.597 -7.489 1.00 0.00 C ATOM 2166 CE2 PHE B 479 4.171 2.705 -5.288 1.00 0.00 C ATOM 2167 CZ PHE B 479 3.673 3.501 -6.292 1.00 0.00 C ATOM 0 H PHE B 479 9.392 1.996 -8.501 1.00 0.00 H new ATOM 0 HA PHE B 479 8.269 3.083 -6.006 1.00 0.00 H new ATOM 0 HB2 PHE B 479 7.337 0.937 -7.863 1.00 0.00 H new ATOM 0 HB3 PHE B 479 7.333 0.502 -6.166 1.00 0.00 H new ATOM 0 HD1 PHE B 479 6.045 2.972 -8.614 1.00 0.00 H new ATOM 0 HD2 PHE B 479 5.727 1.389 -4.678 1.00 0.00 H new ATOM 0 HE1 PHE B 479 3.958 4.220 -8.281 1.00 0.00 H new ATOM 0 HE2 PHE B 479 3.641 2.626 -4.350 1.00 0.00 H new ATOM 0 HZ PHE B 479 2.755 4.050 -6.142 1.00 0.00 H new ATOM 2177 N THR B 480 10.859 1.762 -6.109 1.00 0.00 N ATOM 2178 CA THR B 480 11.937 1.064 -5.438 1.00 0.00 C ATOM 2179 C THR B 480 12.738 2.038 -4.583 1.00 0.00 C ATOM 2180 O THR B 480 13.533 2.830 -5.089 1.00 0.00 O ATOM 2181 CB THR B 480 12.851 0.382 -6.457 1.00 0.00 C ATOM 2182 OG1 THR B 480 12.116 -0.519 -7.267 1.00 0.00 O ATOM 2183 CG2 THR B 480 13.984 -0.393 -5.821 1.00 0.00 C ATOM 0 H THR B 480 11.157 2.504 -6.742 1.00 0.00 H new ATOM 0 HA THR B 480 11.506 0.298 -4.793 1.00 0.00 H new ATOM 0 HB THR B 480 13.275 1.192 -7.051 1.00 0.00 H new ATOM 0 HG1 THR B 480 11.550 -0.014 -7.888 1.00 0.00 H new ATOM 0 HG21 THR B 480 14.593 -0.851 -6.600 1.00 0.00 H new ATOM 0 HG22 THR B 480 14.600 0.284 -5.229 1.00 0.00 H new ATOM 0 HG23 THR B 480 13.576 -1.170 -5.175 1.00 0.00 H new ATOM 2191 N ASP B 481 12.498 1.969 -3.273 1.00 0.00 N ATOM 2192 CA ASP B 481 13.165 2.836 -2.306 1.00 0.00 C ATOM 2193 C ASP B 481 13.178 4.287 -2.781 1.00 0.00 C ATOM 2194 O ASP B 481 14.128 4.732 -3.425 1.00 0.00 O ATOM 2195 CB ASP B 481 14.593 2.352 -2.054 1.00 0.00 C ATOM 2196 CG ASP B 481 15.105 2.752 -0.684 1.00 0.00 C ATOM 2197 OD1 ASP B 481 15.506 3.923 -0.519 1.00 0.00 O ATOM 2198 OD2 ASP B 481 15.106 1.893 0.223 1.00 0.00 O ATOM 0 H ASP B 481 11.838 1.313 -2.856 1.00 0.00 H new ATOM 0 HA ASP B 481 12.604 2.790 -1.372 1.00 0.00 H new ATOM 0 HB2 ASP B 481 14.628 1.267 -2.150 1.00 0.00 H new ATOM 0 HB3 ASP B 481 15.253 2.761 -2.819 1.00 0.00 H new ATOM 2203 N ALA B 482 12.116 5.017 -2.456 1.00 0.00 N ATOM 2204 CA ALA B 482 12.001 6.417 -2.846 1.00 0.00 C ATOM 2205 C ALA B 482 11.830 7.313 -1.623 1.00 0.00 C ATOM 2206 O ALA B 482 12.784 7.944 -1.166 1.00 0.00 O ATOM 2207 CB ALA B 482 10.836 6.601 -3.807 1.00 0.00 C ATOM 0 H ALA B 482 11.322 4.662 -1.923 1.00 0.00 H new ATOM 0 HA ALA B 482 12.922 6.708 -3.351 1.00 0.00 H new ATOM 0 HB1 ALA B 482 10.761 7.651 -4.091 1.00 0.00 H new ATOM 0 HB2 ALA B 482 11.000 5.995 -4.698 1.00 0.00 H new ATOM 0 HB3 ALA B 482 9.911 6.289 -3.322 1.00 0.00 H new