USER MOD reduce.3.24.130724 H: found=0, std=0, add=908, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 908 hydrogens (12 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 102 TYR OH : rot 40:sc= 0.845 USER MOD Set 1.2: A 106 GLN : amide:sc= -0.0142 K(o=0.83,f=-3.4!) USER MOD Set 2.1: A 55 SER OG : rot 2:sc= 1.12 USER MOD Set 2.2: A 99 CYS SG : rot 180:sc= 0.224 USER MOD Single : A 1 ATP O2' : rot 29:sc= 0.452 USER MOD Single : A 1 ATP O3' : rot -74:sc= 1.54 USER MOD Single : A 25 SER OG : rot -25:sc= 0.421 USER MOD Single : A 29 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.2) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0505 USER MOD Single : A 34 HIS : no HE2:sc= -0.769 K(o=-0.77,f=-6!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0353 USER MOD Single : A 42 HIS : no HD1:sc= -2.26 K(o=-2.3,f=-0.73) USER MOD Single : A 43 ASN : amide:sc= -0.0013 K(o=-0.0013,f=-1.9!) USER MOD Single : A 47 SER OG : rot 180:sc= 0.00455 USER MOD Single : A 61 LYS NZ :NH3+ -152:sc= 1.23 (180deg=1) USER MOD Single : A 63 GLN : amide:sc= -0.365 K(o=-0.37,f=-3.2!) USER MOD Single : A 64 SER OG : rot -163:sc= -2.36! USER MOD Single : A 68 THR OG1 : rot 81:sc= 0.713 USER MOD Single : A 75 SER OG : rot -44:sc= 0.602 USER MOD Single : A 85 LYS NZ :NH3+ 172:sc= -4.31! (180deg=-4.83!) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= -0.761 USER MOD Single : A 100 HIS : no HE2:sc= 0.0975! C(o=0.098!,f=-13!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.424 K(o=-0.42,f=-1.8) USER MOD Single : A 109 GLN : amide:sc= -1.27! K(o=-1.3!,f=0) USER MOD Single : A 112 THR OG1 : rot -160:sc= -0.0265 USER MOD Single : A 116 LYS NZ :NH3+ -159:sc= -0.0246 (180deg=-0.342) USER MOD Single : A 119 GLN : amide:sc= -5.27! C(o=-5.3!,f=-2.7!) USER MOD Single : A 120 SER OG : rot 18:sc= -1.1 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot -52:sc= 0.815 USER MOD Single : A 137 GLN : amide:sc= -12.7! C(o=-13!,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 10.965 -16.017 -32.386 1.00 0.00 N ATOM 2 CA GLY A 17 10.266 -16.102 -31.072 1.00 0.00 C ATOM 3 C GLY A 17 11.300 -16.208 -29.950 1.00 0.00 C ATOM 4 O GLY A 17 11.967 -15.249 -29.614 1.00 0.00 O ATOM 0 HA2 GLY A 17 9.641 -15.222 -30.923 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.605 -16.969 -31.055 1.00 0.00 H new ATOM 10 N ALA A 18 11.440 -17.367 -29.367 1.00 0.00 N ATOM 11 CA ALA A 18 12.431 -17.534 -28.267 1.00 0.00 C ATOM 12 C ALA A 18 13.859 -17.614 -28.838 1.00 0.00 C ATOM 13 O ALA A 18 14.788 -17.105 -28.242 1.00 0.00 O ATOM 14 CB ALA A 18 12.107 -18.808 -27.468 1.00 0.00 C ATOM 0 H ALA A 18 10.911 -18.206 -29.605 1.00 0.00 H new ATOM 0 HA ALA A 18 12.373 -16.671 -27.604 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.833 -18.928 -26.664 1.00 0.00 H new ATOM 0 HB2 ALA A 18 11.106 -18.727 -27.044 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.152 -19.673 -28.129 1.00 0.00 H new ATOM 20 N PRO A 19 14.047 -18.247 -29.975 1.00 0.00 N ATOM 21 CA PRO A 19 15.401 -18.378 -30.598 1.00 0.00 C ATOM 22 C PRO A 19 16.067 -17.015 -30.827 1.00 0.00 C ATOM 23 O PRO A 19 15.816 -16.348 -31.811 1.00 0.00 O ATOM 24 CB PRO A 19 15.125 -19.091 -31.935 1.00 0.00 C ATOM 25 CG PRO A 19 13.826 -19.801 -31.727 1.00 0.00 C ATOM 26 CD PRO A 19 13.013 -18.905 -30.797 1.00 0.00 C ATOM 0 HA PRO A 19 16.094 -18.925 -29.958 1.00 0.00 H new ATOM 0 HB2 PRO A 19 15.059 -18.378 -32.757 1.00 0.00 H new ATOM 0 HB3 PRO A 19 15.923 -19.791 -32.183 1.00 0.00 H new ATOM 0 HG2 PRO A 19 13.308 -19.956 -32.673 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.983 -20.785 -31.285 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.419 -18.180 -31.354 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.320 -19.483 -30.186 1.00 0.00 H new ATOM 34 N GLU A 20 16.914 -16.597 -29.923 1.00 0.00 N ATOM 35 CA GLU A 20 17.601 -15.278 -30.079 1.00 0.00 C ATOM 36 C GLU A 20 19.035 -15.393 -29.556 1.00 0.00 C ATOM 37 O GLU A 20 19.450 -14.654 -28.685 1.00 0.00 O ATOM 38 CB GLU A 20 16.849 -14.212 -29.274 1.00 0.00 C ATOM 39 CG GLU A 20 15.582 -13.795 -30.026 1.00 0.00 C ATOM 40 CD GLU A 20 15.966 -12.983 -31.265 1.00 0.00 C ATOM 41 OE1 GLU A 20 17.012 -12.355 -31.236 1.00 0.00 O ATOM 42 OE2 GLU A 20 15.208 -13.003 -32.220 1.00 0.00 O ATOM 0 H GLU A 20 17.161 -17.114 -29.079 1.00 0.00 H new ATOM 0 HA GLU A 20 17.615 -14.994 -31.131 1.00 0.00 H new ATOM 0 HB2 GLU A 20 16.588 -14.602 -28.290 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.490 -13.345 -29.113 1.00 0.00 H new ATOM 0 HG2 GLU A 20 15.013 -14.678 -30.319 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.939 -13.203 -29.375 1.00 0.00 H new ATOM 49 N GLY A 21 19.796 -16.314 -30.081 1.00 0.00 N ATOM 50 CA GLY A 21 21.202 -16.475 -29.613 1.00 0.00 C ATOM 51 C GLY A 21 21.215 -17.247 -28.291 1.00 0.00 C ATOM 52 O GLY A 21 20.181 -17.607 -27.764 1.00 0.00 O ATOM 0 H GLY A 21 19.505 -16.962 -30.813 1.00 0.00 H new ATOM 0 HA2 GLY A 21 21.787 -17.007 -30.363 1.00 0.00 H new ATOM 0 HA3 GLY A 21 21.667 -15.498 -29.480 1.00 0.00 H new ATOM 56 N PRO A 22 22.383 -17.497 -27.760 1.00 0.00 N ATOM 57 CA PRO A 22 22.545 -18.239 -26.476 1.00 0.00 C ATOM 58 C PRO A 22 22.186 -17.372 -25.262 1.00 0.00 C ATOM 59 O PRO A 22 22.773 -17.492 -24.206 1.00 0.00 O ATOM 60 CB PRO A 22 24.034 -18.608 -26.467 1.00 0.00 C ATOM 61 CG PRO A 22 24.695 -17.521 -27.254 1.00 0.00 C ATOM 62 CD PRO A 22 23.684 -17.099 -28.328 1.00 0.00 C ATOM 0 HA PRO A 22 21.884 -19.103 -26.409 1.00 0.00 H new ATOM 0 HB2 PRO A 22 24.425 -18.656 -25.451 1.00 0.00 H new ATOM 0 HB3 PRO A 22 24.203 -19.585 -26.920 1.00 0.00 H new ATOM 0 HG2 PRO A 22 24.957 -16.679 -26.613 1.00 0.00 H new ATOM 0 HG3 PRO A 22 25.620 -17.876 -27.708 1.00 0.00 H new ATOM 0 HD2 PRO A 22 23.726 -16.027 -28.518 1.00 0.00 H new ATOM 0 HD3 PRO A 22 23.876 -17.599 -29.277 1.00 0.00 H new ATOM 70 N GLY A 23 21.225 -16.500 -25.408 1.00 0.00 N ATOM 71 CA GLY A 23 20.831 -15.629 -24.265 1.00 0.00 C ATOM 72 C GLY A 23 19.995 -14.456 -24.783 1.00 0.00 C ATOM 73 O GLY A 23 19.890 -14.237 -25.974 1.00 0.00 O ATOM 0 H GLY A 23 20.697 -16.354 -26.268 1.00 0.00 H new ATOM 0 HA2 GLY A 23 20.259 -16.203 -23.536 1.00 0.00 H new ATOM 0 HA3 GLY A 23 21.719 -15.259 -23.753 1.00 0.00 H new ATOM 77 N PRO A 24 19.404 -13.706 -23.890 1.00 0.00 N ATOM 78 CA PRO A 24 18.559 -12.531 -24.252 1.00 0.00 C ATOM 79 C PRO A 24 19.405 -11.329 -24.692 1.00 0.00 C ATOM 80 O PRO A 24 20.142 -10.758 -23.913 1.00 0.00 O ATOM 81 CB PRO A 24 17.805 -12.226 -22.952 1.00 0.00 C ATOM 82 CG PRO A 24 18.726 -12.684 -21.865 1.00 0.00 C ATOM 83 CD PRO A 24 19.476 -13.897 -22.429 1.00 0.00 C ATOM 0 HA PRO A 24 17.901 -12.736 -25.097 1.00 0.00 H new ATOM 0 HB2 PRO A 24 17.584 -11.162 -22.862 1.00 0.00 H new ATOM 0 HB3 PRO A 24 16.852 -12.754 -22.913 1.00 0.00 H new ATOM 0 HG2 PRO A 24 19.420 -11.893 -21.583 1.00 0.00 H new ATOM 0 HG3 PRO A 24 18.168 -12.953 -20.968 1.00 0.00 H new ATOM 0 HD2 PRO A 24 20.508 -13.927 -22.080 1.00 0.00 H new ATOM 0 HD3 PRO A 24 19.009 -14.833 -22.124 1.00 0.00 H new ATOM 91 N SER A 25 19.303 -10.943 -25.934 1.00 0.00 N ATOM 92 CA SER A 25 20.100 -9.782 -26.422 1.00 0.00 C ATOM 93 C SER A 25 19.564 -9.330 -27.782 1.00 0.00 C ATOM 94 O SER A 25 18.470 -9.683 -28.177 1.00 0.00 O ATOM 95 CB SER A 25 21.567 -10.193 -26.562 1.00 0.00 C ATOM 96 OG SER A 25 22.062 -10.619 -25.301 1.00 0.00 O ATOM 0 H SER A 25 18.702 -11.381 -26.632 1.00 0.00 H new ATOM 0 HA SER A 25 20.019 -8.961 -25.709 1.00 0.00 H new ATOM 0 HB2 SER A 25 21.662 -10.996 -27.292 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.157 -9.354 -26.932 1.00 0.00 H new ATOM 0 HG SER A 25 21.542 -10.197 -24.586 1.00 0.00 H new ATOM 102 N GLY A 26 20.325 -8.552 -28.501 1.00 0.00 N ATOM 103 CA GLY A 26 19.858 -8.079 -29.835 1.00 0.00 C ATOM 104 C GLY A 26 18.879 -6.917 -29.650 1.00 0.00 C ATOM 105 O GLY A 26 17.800 -6.907 -30.208 1.00 0.00 O ATOM 0 H GLY A 26 21.250 -8.223 -28.223 1.00 0.00 H new ATOM 0 HA2 GLY A 26 20.708 -7.760 -30.438 1.00 0.00 H new ATOM 0 HA3 GLY A 26 19.374 -8.894 -30.373 1.00 0.00 H new ATOM 109 N GLY A 27 19.247 -5.938 -28.870 1.00 0.00 N ATOM 110 CA GLY A 27 18.337 -4.778 -28.651 1.00 0.00 C ATOM 111 C GLY A 27 19.098 -3.662 -27.932 1.00 0.00 C ATOM 112 O GLY A 27 19.099 -3.579 -26.720 1.00 0.00 O ATOM 0 H GLY A 27 20.138 -5.891 -28.375 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.955 -4.416 -29.606 1.00 0.00 H new ATOM 0 HA3 GLY A 27 17.475 -5.085 -28.059 1.00 0.00 H new ATOM 116 N ALA A 28 19.745 -2.802 -28.670 1.00 0.00 N ATOM 117 CA ALA A 28 20.505 -1.692 -28.028 1.00 0.00 C ATOM 118 C ALA A 28 19.525 -0.638 -27.509 1.00 0.00 C ATOM 119 O ALA A 28 19.658 -0.143 -26.407 1.00 0.00 O ATOM 120 CB ALA A 28 21.443 -1.055 -29.055 1.00 0.00 C ATOM 0 H ALA A 28 19.780 -2.820 -29.689 1.00 0.00 H new ATOM 0 HA ALA A 28 21.090 -2.085 -27.197 1.00 0.00 H new ATOM 0 HB1 ALA A 28 21.999 -0.243 -28.586 1.00 0.00 H new ATOM 0 HB2 ALA A 28 22.141 -1.806 -29.425 1.00 0.00 H new ATOM 0 HB3 ALA A 28 20.859 -0.661 -29.887 1.00 0.00 H new ATOM 126 N GLN A 29 18.542 -0.290 -28.293 1.00 0.00 N ATOM 127 CA GLN A 29 17.556 0.733 -27.844 1.00 0.00 C ATOM 128 C GLN A 29 16.999 0.336 -26.475 1.00 0.00 C ATOM 129 O GLN A 29 17.352 0.907 -25.462 1.00 0.00 O ATOM 130 CB GLN A 29 16.411 0.817 -28.855 1.00 0.00 C ATOM 131 CG GLN A 29 15.570 2.063 -28.571 1.00 0.00 C ATOM 132 CD GLN A 29 16.352 3.311 -28.985 1.00 0.00 C ATOM 133 OE1 GLN A 29 16.464 4.252 -28.225 1.00 0.00 O ATOM 134 NE2 GLN A 29 16.903 3.359 -30.168 1.00 0.00 N ATOM 0 H GLN A 29 18.379 -0.670 -29.225 1.00 0.00 H new ATOM 0 HA GLN A 29 18.047 1.703 -27.770 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.809 0.857 -29.869 1.00 0.00 H new ATOM 0 HB3 GLN A 29 15.790 -0.076 -28.792 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.629 2.012 -29.119 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.320 2.112 -27.511 1.00 0.00 H new ATOM 0 HE21 GLN A 29 16.809 2.569 -30.807 1.00 0.00 H new ATOM 0 HE22 GLN A 29 17.427 4.186 -30.453 1.00 0.00 H new ATOM 143 N GLY A 30 16.131 -0.637 -26.436 1.00 0.00 N ATOM 144 CA GLY A 30 15.553 -1.069 -25.133 1.00 0.00 C ATOM 145 C GLY A 30 16.583 -1.903 -24.369 1.00 0.00 C ATOM 146 O GLY A 30 17.325 -2.673 -24.947 1.00 0.00 O ATOM 0 H GLY A 30 15.797 -1.152 -27.251 1.00 0.00 H new ATOM 0 HA2 GLY A 30 15.266 -0.198 -24.544 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.648 -1.653 -25.300 1.00 0.00 H new ATOM 150 N GLY A 31 16.636 -1.757 -23.073 1.00 0.00 N ATOM 151 CA GLY A 31 17.619 -2.542 -22.274 1.00 0.00 C ATOM 152 C GLY A 31 17.408 -2.259 -20.785 1.00 0.00 C ATOM 153 O GLY A 31 17.317 -1.122 -20.367 1.00 0.00 O ATOM 0 H GLY A 31 16.041 -1.128 -22.533 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.498 -3.607 -22.473 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.635 -2.276 -22.565 1.00 0.00 H new ATOM 157 N SER A 32 17.329 -3.284 -19.982 1.00 0.00 N ATOM 158 CA SER A 32 17.124 -3.072 -18.521 1.00 0.00 C ATOM 159 C SER A 32 18.233 -2.169 -17.977 1.00 0.00 C ATOM 160 O SER A 32 19.107 -1.737 -18.701 1.00 0.00 O ATOM 161 CB SER A 32 17.165 -4.420 -17.800 1.00 0.00 C ATOM 162 OG SER A 32 16.721 -4.254 -16.461 1.00 0.00 O ATOM 0 H SER A 32 17.397 -4.259 -20.274 1.00 0.00 H new ATOM 0 HA SER A 32 16.156 -2.600 -18.354 1.00 0.00 H new ATOM 0 HB2 SER A 32 16.532 -5.141 -18.318 1.00 0.00 H new ATOM 0 HB3 SER A 32 18.179 -4.820 -17.811 1.00 0.00 H new ATOM 0 HG SER A 32 16.745 -5.118 -15.999 1.00 0.00 H new ATOM 168 N ILE A 33 18.204 -1.880 -16.704 1.00 0.00 N ATOM 169 CA ILE A 33 19.257 -1.005 -16.115 1.00 0.00 C ATOM 170 C ILE A 33 19.293 -1.202 -14.598 1.00 0.00 C ATOM 171 O ILE A 33 18.314 -1.587 -13.989 1.00 0.00 O ATOM 172 CB ILE A 33 18.940 0.457 -16.432 1.00 0.00 C ATOM 173 CG1 ILE A 33 20.036 1.353 -15.849 1.00 0.00 C ATOM 174 CG2 ILE A 33 17.593 0.835 -15.815 1.00 0.00 C ATOM 175 CD1 ILE A 33 19.888 2.769 -16.408 1.00 0.00 C ATOM 0 H ILE A 33 17.497 -2.212 -16.047 1.00 0.00 H new ATOM 0 HA ILE A 33 20.227 -1.267 -16.539 1.00 0.00 H new ATOM 0 HB ILE A 33 18.894 0.592 -17.513 1.00 0.00 H new ATOM 0 HG12 ILE A 33 19.966 1.371 -14.761 1.00 0.00 H new ATOM 0 HG13 ILE A 33 21.019 0.953 -16.099 1.00 0.00 H new ATOM 0 HG21 ILE A 33 17.369 1.877 -16.042 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.812 0.197 -16.228 1.00 0.00 H new ATOM 0 HG23 ILE A 33 17.637 0.700 -14.734 1.00 0.00 H new ATOM 0 HD11 ILE A 33 20.668 3.407 -15.993 1.00 0.00 H new ATOM 0 HD12 ILE A 33 19.980 2.743 -17.494 1.00 0.00 H new ATOM 0 HD13 ILE A 33 18.911 3.167 -16.136 1.00 0.00 H new ATOM 187 N HIS A 34 20.413 -0.939 -13.983 1.00 0.00 N ATOM 188 CA HIS A 34 20.510 -1.111 -12.506 1.00 0.00 C ATOM 189 C HIS A 34 19.334 -0.402 -11.832 1.00 0.00 C ATOM 190 O HIS A 34 18.899 0.647 -12.264 1.00 0.00 O ATOM 191 CB HIS A 34 21.825 -0.507 -12.008 1.00 0.00 C ATOM 192 CG HIS A 34 22.025 0.844 -12.637 1.00 0.00 C ATOM 193 ND1 HIS A 34 21.090 1.861 -12.519 1.00 0.00 N ATOM 194 CD2 HIS A 34 23.048 1.362 -13.393 1.00 0.00 C ATOM 195 CE1 HIS A 34 21.565 2.928 -13.188 1.00 0.00 C ATOM 196 NE2 HIS A 34 22.756 2.677 -13.739 1.00 0.00 N ATOM 0 H HIS A 34 21.265 -0.613 -14.439 1.00 0.00 H new ATOM 0 HA HIS A 34 20.482 -2.173 -12.260 1.00 0.00 H new ATOM 0 HB2 HIS A 34 21.807 -0.416 -10.922 1.00 0.00 H new ATOM 0 HB3 HIS A 34 22.658 -1.164 -12.259 1.00 0.00 H new ATOM 0 HD1 HIS A 34 20.204 1.810 -12.017 1.00 0.00 H new ATOM 0 HD2 HIS A 34 23.944 0.829 -13.676 1.00 0.00 H new ATOM 0 HE1 HIS A 34 21.047 3.872 -13.269 1.00 0.00 H new ATOM 204 N SER A 35 18.816 -0.966 -10.775 1.00 0.00 N ATOM 205 CA SER A 35 17.668 -0.324 -10.075 1.00 0.00 C ATOM 206 C SER A 35 17.991 1.148 -9.810 1.00 0.00 C ATOM 207 O SER A 35 19.131 1.565 -9.876 1.00 0.00 O ATOM 208 CB SER A 35 17.418 -1.038 -8.745 1.00 0.00 C ATOM 209 OG SER A 35 16.270 -0.485 -8.119 1.00 0.00 O ATOM 0 H SER A 35 19.138 -1.843 -10.366 1.00 0.00 H new ATOM 0 HA SER A 35 16.777 -0.394 -10.699 1.00 0.00 H new ATOM 0 HB2 SER A 35 17.274 -2.105 -8.914 1.00 0.00 H new ATOM 0 HB3 SER A 35 18.286 -0.932 -8.095 1.00 0.00 H new ATOM 0 HG SER A 35 16.109 -0.943 -7.268 1.00 0.00 H new ATOM 215 N GLY A 36 16.997 1.939 -9.510 1.00 0.00 N ATOM 216 CA GLY A 36 17.248 3.383 -9.242 1.00 0.00 C ATOM 217 C GLY A 36 17.783 3.552 -7.818 1.00 0.00 C ATOM 218 O GLY A 36 17.110 3.250 -6.852 1.00 0.00 O ATOM 0 H GLY A 36 16.022 1.647 -9.439 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.966 3.778 -9.961 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.327 3.952 -9.366 1.00 0.00 H new ATOM 222 N ARG A 37 18.988 4.031 -7.680 1.00 0.00 N ATOM 223 CA ARG A 37 19.565 4.219 -6.319 1.00 0.00 C ATOM 224 C ARG A 37 18.735 5.252 -5.552 1.00 0.00 C ATOM 225 O ARG A 37 18.809 6.437 -5.813 1.00 0.00 O ATOM 226 CB ARG A 37 21.008 4.714 -6.441 1.00 0.00 C ATOM 227 CG ARG A 37 21.898 3.573 -6.936 1.00 0.00 C ATOM 228 CD ARG A 37 23.359 4.027 -6.931 1.00 0.00 C ATOM 229 NE ARG A 37 24.221 2.935 -7.464 1.00 0.00 N ATOM 230 CZ ARG A 37 25.518 3.076 -7.480 1.00 0.00 C ATOM 231 NH1 ARG A 37 26.061 4.173 -7.028 1.00 0.00 N ATOM 232 NH2 ARG A 37 26.273 2.119 -7.946 1.00 0.00 N ATOM 0 H ARG A 37 19.599 4.301 -8.451 1.00 0.00 H new ATOM 0 HA ARG A 37 19.550 3.270 -5.783 1.00 0.00 H new ATOM 0 HB2 ARG A 37 21.058 5.555 -7.133 1.00 0.00 H new ATOM 0 HB3 ARG A 37 21.363 5.074 -5.475 1.00 0.00 H new ATOM 0 HG2 ARG A 37 21.776 2.699 -6.297 1.00 0.00 H new ATOM 0 HG3 ARG A 37 21.602 3.277 -7.942 1.00 0.00 H new ATOM 0 HD2 ARG A 37 23.474 4.925 -7.538 1.00 0.00 H new ATOM 0 HD3 ARG A 37 23.667 4.286 -5.918 1.00 0.00 H new ATOM 0 HE ARG A 37 23.797 2.077 -7.817 1.00 0.00 H new ATOM 0 HH11 ARG A 37 25.471 4.921 -6.662 1.00 0.00 H new ATOM 0 HH12 ARG A 37 27.075 4.283 -7.041 1.00 0.00 H new ATOM 0 HH21 ARG A 37 25.849 1.261 -8.298 1.00 0.00 H new ATOM 0 HH22 ARG A 37 27.287 2.230 -7.958 1.00 0.00 H new ATOM 246 N ILE A 38 17.944 4.814 -4.606 1.00 0.00 N ATOM 247 CA ILE A 38 17.105 5.771 -3.817 1.00 0.00 C ATOM 248 C ILE A 38 17.034 5.293 -2.367 1.00 0.00 C ATOM 249 O ILE A 38 16.247 4.435 -2.020 1.00 0.00 O ATOM 250 CB ILE A 38 15.695 5.826 -4.425 1.00 0.00 C ATOM 251 CG1 ILE A 38 15.818 6.226 -5.898 1.00 0.00 C ATOM 252 CG2 ILE A 38 14.827 6.857 -3.682 1.00 0.00 C ATOM 253 CD1 ILE A 38 14.430 6.495 -6.488 1.00 0.00 C ATOM 0 H ILE A 38 17.842 3.833 -4.344 1.00 0.00 H new ATOM 0 HA ILE A 38 17.545 6.768 -3.845 1.00 0.00 H new ATOM 0 HB ILE A 38 15.221 4.849 -4.334 1.00 0.00 H new ATOM 0 HG12 ILE A 38 16.440 7.116 -5.990 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.312 5.432 -6.458 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.832 6.882 -4.126 1.00 0.00 H new ATOM 0 HG22 ILE A 38 14.748 6.577 -2.632 1.00 0.00 H new ATOM 0 HG23 ILE A 38 15.285 7.843 -3.761 1.00 0.00 H new ATOM 0 HD11 ILE A 38 14.529 6.779 -7.536 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.821 5.594 -6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.951 7.304 -5.937 1.00 0.00 H new ATOM 265 N ALA A 39 17.855 5.848 -1.519 1.00 0.00 N ATOM 266 CA ALA A 39 17.852 5.441 -0.080 1.00 0.00 C ATOM 267 C ALA A 39 16.997 6.423 0.724 1.00 0.00 C ATOM 268 O ALA A 39 17.467 7.452 1.170 1.00 0.00 O ATOM 269 CB ALA A 39 19.287 5.456 0.450 1.00 0.00 C ATOM 0 H ALA A 39 18.533 6.571 -1.760 1.00 0.00 H new ATOM 0 HA ALA A 39 17.438 4.438 0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 39 19.291 5.160 1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 39 19.895 4.758 -0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 39 19.699 6.460 0.355 1.00 0.00 H new ATOM 275 N ALA A 40 15.741 6.115 0.907 1.00 0.00 N ATOM 276 CA ALA A 40 14.839 7.027 1.674 1.00 0.00 C ATOM 277 C ALA A 40 13.777 6.196 2.407 1.00 0.00 C ATOM 278 O ALA A 40 13.817 4.979 2.412 1.00 0.00 O ATOM 279 CB ALA A 40 14.171 8.008 0.699 1.00 0.00 C ATOM 0 H ALA A 40 15.297 5.266 0.557 1.00 0.00 H new ATOM 0 HA ALA A 40 15.413 7.590 2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.511 8.677 1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.937 8.593 0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 40 13.590 7.451 -0.037 1.00 0.00 H new ATOM 285 N VAL A 41 12.835 6.848 3.033 1.00 0.00 N ATOM 286 CA VAL A 41 11.770 6.107 3.770 1.00 0.00 C ATOM 287 C VAL A 41 10.798 5.499 2.757 1.00 0.00 C ATOM 288 O VAL A 41 10.502 6.085 1.735 1.00 0.00 O ATOM 289 CB VAL A 41 11.015 7.072 4.691 1.00 0.00 C ATOM 290 CG1 VAL A 41 9.873 6.339 5.402 1.00 0.00 C ATOM 291 CG2 VAL A 41 11.974 7.640 5.741 1.00 0.00 C ATOM 0 H VAL A 41 12.756 7.864 3.066 1.00 0.00 H new ATOM 0 HA VAL A 41 12.219 5.317 4.372 1.00 0.00 H new ATOM 0 HB VAL A 41 10.605 7.882 4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.344 7.035 6.053 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.181 5.938 4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.280 5.522 5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.434 8.326 6.394 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.389 6.825 6.334 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.783 8.175 5.243 1.00 0.00 H new ATOM 301 N HIS A 42 10.312 4.321 3.029 1.00 0.00 N ATOM 302 CA HIS A 42 9.371 3.651 2.082 1.00 0.00 C ATOM 303 C HIS A 42 8.403 2.753 2.861 1.00 0.00 C ATOM 304 O HIS A 42 8.755 2.165 3.864 1.00 0.00 O ATOM 305 CB HIS A 42 10.184 2.771 1.119 1.00 0.00 C ATOM 306 CG HIS A 42 10.690 3.579 -0.045 1.00 0.00 C ATOM 307 ND1 HIS A 42 10.196 3.406 -1.328 1.00 0.00 N ATOM 308 CD2 HIS A 42 11.658 4.546 -0.144 1.00 0.00 C ATOM 309 CE1 HIS A 42 10.863 4.247 -2.136 1.00 0.00 C ATOM 310 NE2 HIS A 42 11.766 4.967 -1.466 1.00 0.00 N ATOM 0 H HIS A 42 10.526 3.788 3.872 1.00 0.00 H new ATOM 0 HA HIS A 42 8.809 4.407 1.533 1.00 0.00 H new ATOM 0 HB2 HIS A 42 11.024 2.324 1.650 1.00 0.00 H new ATOM 0 HB3 HIS A 42 9.563 1.952 0.756 1.00 0.00 H new ATOM 0 HD2 HIS A 42 12.247 4.923 0.679 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.690 4.331 -3.199 1.00 0.00 H new ATOM 0 HE2 HIS A 42 12.399 5.673 -1.842 1.00 0.00 H new ATOM 318 N ASN A 43 7.197 2.619 2.383 1.00 0.00 N ATOM 319 CA ASN A 43 6.215 1.732 3.064 1.00 0.00 C ATOM 320 C ASN A 43 6.416 0.307 2.544 1.00 0.00 C ATOM 321 O ASN A 43 5.885 -0.067 1.517 1.00 0.00 O ATOM 322 CB ASN A 43 4.799 2.200 2.733 1.00 0.00 C ATOM 323 CG ASN A 43 4.542 3.544 3.409 1.00 0.00 C ATOM 324 OD1 ASN A 43 5.338 3.999 4.207 1.00 0.00 O ATOM 325 ND2 ASN A 43 3.457 4.205 3.123 1.00 0.00 N ATOM 0 H ASN A 43 6.849 3.088 1.547 1.00 0.00 H new ATOM 0 HA ASN A 43 6.360 1.763 4.144 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.677 2.293 1.654 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.071 1.463 3.073 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.275 5.104 3.569 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.789 3.823 2.453 1.00 0.00 H new ATOM 332 N VAL A 44 7.190 -0.490 3.233 1.00 0.00 N ATOM 333 CA VAL A 44 7.437 -1.889 2.760 1.00 0.00 C ATOM 334 C VAL A 44 6.331 -2.816 3.321 1.00 0.00 C ATOM 335 O VAL A 44 6.125 -2.856 4.519 1.00 0.00 O ATOM 336 CB VAL A 44 8.832 -2.344 3.240 1.00 0.00 C ATOM 337 CG1 VAL A 44 8.802 -2.742 4.716 1.00 0.00 C ATOM 338 CG2 VAL A 44 9.300 -3.545 2.412 1.00 0.00 C ATOM 0 H VAL A 44 7.662 -0.236 4.101 1.00 0.00 H new ATOM 0 HA VAL A 44 7.410 -1.934 1.671 1.00 0.00 H new ATOM 0 HB VAL A 44 9.521 -1.509 3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.797 -3.058 5.028 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.488 -1.888 5.317 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.100 -3.563 4.857 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.285 -3.862 2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.593 -4.366 2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.355 -3.263 1.361 1.00 0.00 H new ATOM 348 N PRO A 45 5.607 -3.551 2.487 1.00 0.00 N ATOM 349 CA PRO A 45 4.516 -4.456 2.976 1.00 0.00 C ATOM 350 C PRO A 45 4.941 -5.344 4.150 1.00 0.00 C ATOM 351 O PRO A 45 6.036 -5.867 4.190 1.00 0.00 O ATOM 352 CB PRO A 45 4.182 -5.320 1.753 1.00 0.00 C ATOM 353 CG PRO A 45 4.532 -4.473 0.575 1.00 0.00 C ATOM 354 CD PRO A 45 5.723 -3.610 1.006 1.00 0.00 C ATOM 0 HA PRO A 45 3.674 -3.879 3.358 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.755 -6.247 1.757 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.128 -5.597 1.741 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.790 -5.091 -0.285 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.688 -3.851 0.279 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.670 -4.053 0.697 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.677 -2.616 0.562 1.00 0.00 H new ATOM 362 N LEU A 46 4.065 -5.526 5.102 1.00 0.00 N ATOM 363 CA LEU A 46 4.397 -6.390 6.267 1.00 0.00 C ATOM 364 C LEU A 46 4.548 -7.836 5.797 1.00 0.00 C ATOM 365 O LEU A 46 5.282 -8.620 6.365 1.00 0.00 O ATOM 366 CB LEU A 46 3.251 -6.347 7.280 1.00 0.00 C ATOM 367 CG LEU A 46 3.053 -4.917 7.841 1.00 0.00 C ATOM 368 CD1 LEU A 46 1.572 -4.693 8.133 1.00 0.00 C ATOM 369 CD2 LEU A 46 3.846 -4.721 9.142 1.00 0.00 C ATOM 0 H LEU A 46 3.133 -5.112 5.121 1.00 0.00 H new ATOM 0 HA LEU A 46 5.321 -6.033 6.721 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.330 -6.685 6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.460 -7.036 8.098 1.00 0.00 H new ATOM 0 HG LEU A 46 3.412 -4.204 7.098 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.427 -3.688 8.528 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.998 -4.807 7.213 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.231 -5.424 8.866 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.689 -3.709 9.515 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.505 -5.439 9.888 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.907 -4.876 8.948 1.00 0.00 H new ATOM 381 N SER A 47 3.816 -8.193 4.785 1.00 0.00 N ATOM 382 CA SER A 47 3.848 -9.594 4.275 1.00 0.00 C ATOM 383 C SER A 47 5.234 -9.988 3.743 1.00 0.00 C ATOM 384 O SER A 47 5.581 -11.153 3.744 1.00 0.00 O ATOM 385 CB SER A 47 2.822 -9.727 3.149 1.00 0.00 C ATOM 386 OG SER A 47 2.974 -8.648 2.240 1.00 0.00 O ATOM 0 H SER A 47 3.187 -7.568 4.280 1.00 0.00 H new ATOM 0 HA SER A 47 3.613 -10.261 5.104 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.957 -10.676 2.630 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.813 -9.730 3.561 1.00 0.00 H new ATOM 0 HG SER A 47 2.318 -8.734 1.517 1.00 0.00 H new ATOM 392 N VAL A 48 6.022 -9.053 3.264 1.00 0.00 N ATOM 393 CA VAL A 48 7.371 -9.416 2.707 1.00 0.00 C ATOM 394 C VAL A 48 8.493 -9.094 3.703 1.00 0.00 C ATOM 395 O VAL A 48 9.633 -8.930 3.318 1.00 0.00 O ATOM 396 CB VAL A 48 7.612 -8.656 1.395 1.00 0.00 C ATOM 397 CG1 VAL A 48 6.402 -8.824 0.471 1.00 0.00 C ATOM 398 CG2 VAL A 48 7.844 -7.166 1.667 1.00 0.00 C ATOM 0 H VAL A 48 5.793 -8.059 3.234 1.00 0.00 H new ATOM 0 HA VAL A 48 7.381 -10.490 2.520 1.00 0.00 H new ATOM 0 HB VAL A 48 8.501 -9.067 0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.577 -8.283 -0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.254 -9.882 0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.513 -8.427 0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.013 -6.646 0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.968 -6.746 2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.716 -7.045 2.309 1.00 0.00 H new ATOM 408 N LEU A 49 8.201 -9.022 4.977 1.00 0.00 N ATOM 409 CA LEU A 49 9.282 -8.735 5.969 1.00 0.00 C ATOM 410 C LEU A 49 9.866 -10.060 6.460 1.00 0.00 C ATOM 411 O LEU A 49 9.162 -10.922 6.947 1.00 0.00 O ATOM 412 CB LEU A 49 8.712 -7.976 7.172 1.00 0.00 C ATOM 413 CG LEU A 49 8.350 -6.531 6.796 1.00 0.00 C ATOM 414 CD1 LEU A 49 7.749 -5.847 8.030 1.00 0.00 C ATOM 415 CD2 LEU A 49 9.600 -5.755 6.333 1.00 0.00 C ATOM 0 H LEU A 49 7.269 -9.148 5.371 1.00 0.00 H new ATOM 0 HA LEU A 49 10.051 -8.128 5.492 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.826 -8.491 7.544 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.442 -7.972 7.982 1.00 0.00 H new ATOM 0 HG LEU A 49 7.633 -6.540 5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.485 -4.819 7.784 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.855 -6.385 8.345 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.479 -5.850 8.839 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.319 -4.735 6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.334 -5.734 7.138 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.031 -6.247 5.461 1.00 0.00 H new ATOM 427 N ILE A 50 11.150 -10.226 6.327 1.00 0.00 N ATOM 428 CA ILE A 50 11.803 -11.491 6.771 1.00 0.00 C ATOM 429 C ILE A 50 12.267 -11.367 8.222 1.00 0.00 C ATOM 430 O ILE A 50 13.078 -10.525 8.558 1.00 0.00 O ATOM 431 CB ILE A 50 13.012 -11.747 5.882 1.00 0.00 C ATOM 432 CG1 ILE A 50 12.579 -11.639 4.420 1.00 0.00 C ATOM 433 CG2 ILE A 50 13.578 -13.142 6.153 1.00 0.00 C ATOM 434 CD1 ILE A 50 13.741 -12.026 3.507 1.00 0.00 C ATOM 0 H ILE A 50 11.783 -9.534 5.926 1.00 0.00 H new ATOM 0 HA ILE A 50 11.091 -12.313 6.698 1.00 0.00 H new ATOM 0 HB ILE A 50 13.786 -11.010 6.096 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.726 -12.291 4.235 1.00 0.00 H new ATOM 0 HG13 ILE A 50 12.256 -10.621 4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 50 14.442 -13.315 5.512 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.881 -13.215 7.198 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.815 -13.891 5.943 1.00 0.00 H new ATOM 0 HD11 ILE A 50 13.428 -11.947 2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 50 14.582 -11.356 3.684 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.044 -13.052 3.718 1.00 0.00 H new ATOM 446 N ARG A 51 11.768 -12.220 9.077 1.00 0.00 N ATOM 447 CA ARG A 51 12.181 -12.195 10.516 1.00 0.00 C ATOM 448 C ARG A 51 12.461 -13.630 10.988 1.00 0.00 C ATOM 449 O ARG A 51 11.563 -14.322 11.425 1.00 0.00 O ATOM 450 CB ARG A 51 11.034 -11.620 11.348 1.00 0.00 C ATOM 451 CG ARG A 51 10.895 -10.127 11.053 1.00 0.00 C ATOM 452 CD ARG A 51 9.856 -9.507 11.992 1.00 0.00 C ATOM 453 NE ARG A 51 9.990 -8.022 11.968 1.00 0.00 N ATOM 454 CZ ARG A 51 10.906 -7.436 12.690 1.00 0.00 C ATOM 455 NH1 ARG A 51 11.706 -8.150 13.434 1.00 0.00 N ATOM 456 NH2 ARG A 51 11.021 -6.137 12.668 1.00 0.00 N ATOM 0 H ARG A 51 11.086 -12.940 8.840 1.00 0.00 H new ATOM 0 HA ARG A 51 13.077 -11.585 10.633 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.104 -12.137 11.112 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.226 -11.776 12.410 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.857 -9.631 11.181 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.596 -9.978 10.016 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.852 -9.798 11.684 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.998 -9.880 13.006 1.00 0.00 H new ATOM 0 HE ARG A 51 9.365 -7.463 11.387 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.615 -9.166 13.451 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.422 -7.692 13.998 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.395 -5.579 12.087 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.737 -5.679 13.232 1.00 0.00 H new ATOM 470 N PRO A 52 13.694 -14.074 10.927 1.00 0.00 N ATOM 471 CA PRO A 52 14.089 -15.432 11.378 1.00 0.00 C ATOM 472 C PRO A 52 14.704 -15.422 12.782 1.00 0.00 C ATOM 473 O PRO A 52 15.546 -16.238 13.099 1.00 0.00 O ATOM 474 CB PRO A 52 15.150 -15.788 10.347 1.00 0.00 C ATOM 475 CG PRO A 52 15.884 -14.494 10.124 1.00 0.00 C ATOM 476 CD PRO A 52 14.869 -13.358 10.396 1.00 0.00 C ATOM 0 HA PRO A 52 13.250 -16.125 11.444 1.00 0.00 H new ATOM 0 HB2 PRO A 52 15.817 -16.568 10.713 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.703 -16.158 9.424 1.00 0.00 H new ATOM 0 HG2 PRO A 52 16.742 -14.415 10.792 1.00 0.00 H new ATOM 0 HG3 PRO A 52 16.267 -14.436 9.105 1.00 0.00 H new ATOM 0 HD2 PRO A 52 15.257 -12.635 11.113 1.00 0.00 H new ATOM 0 HD3 PRO A 52 14.628 -12.808 9.487 1.00 0.00 H new ATOM 484 N LEU A 53 14.316 -14.487 13.614 1.00 0.00 N ATOM 485 CA LEU A 53 14.910 -14.404 14.990 1.00 0.00 C ATOM 486 C LEU A 53 13.800 -14.096 16.021 1.00 0.00 C ATOM 487 O LEU A 53 13.350 -12.971 16.113 1.00 0.00 O ATOM 488 CB LEU A 53 15.949 -13.261 14.971 1.00 0.00 C ATOM 489 CG LEU A 53 17.100 -13.523 15.963 1.00 0.00 C ATOM 490 CD1 LEU A 53 17.908 -14.775 15.547 1.00 0.00 C ATOM 491 CD2 LEU A 53 18.029 -12.296 15.978 1.00 0.00 C ATOM 0 H LEU A 53 13.615 -13.777 13.403 1.00 0.00 H new ATOM 0 HA LEU A 53 15.380 -15.347 15.270 1.00 0.00 H new ATOM 0 HB2 LEU A 53 16.353 -13.153 13.964 1.00 0.00 H new ATOM 0 HB3 LEU A 53 15.460 -12.320 15.221 1.00 0.00 H new ATOM 0 HG LEU A 53 16.683 -13.697 16.955 1.00 0.00 H new ATOM 0 HD11 LEU A 53 18.715 -14.941 16.261 1.00 0.00 H new ATOM 0 HD12 LEU A 53 17.251 -15.644 15.534 1.00 0.00 H new ATOM 0 HD13 LEU A 53 18.329 -14.623 14.553 1.00 0.00 H new ATOM 0 HD21 LEU A 53 18.848 -12.468 16.676 1.00 0.00 H new ATOM 0 HD22 LEU A 53 18.432 -12.133 14.979 1.00 0.00 H new ATOM 0 HD23 LEU A 53 17.465 -11.417 16.290 1.00 0.00 H new ATOM 503 N PRO A 54 13.357 -15.069 16.801 1.00 0.00 N ATOM 504 CA PRO A 54 12.290 -14.836 17.824 1.00 0.00 C ATOM 505 C PRO A 54 12.598 -13.627 18.717 1.00 0.00 C ATOM 506 O PRO A 54 13.688 -13.090 18.695 1.00 0.00 O ATOM 507 CB PRO A 54 12.281 -16.132 18.648 1.00 0.00 C ATOM 508 CG PRO A 54 12.784 -17.180 17.711 1.00 0.00 C ATOM 509 CD PRO A 54 13.805 -16.482 16.808 1.00 0.00 C ATOM 0 HA PRO A 54 11.328 -14.612 17.363 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.920 -16.047 19.527 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.278 -16.368 19.004 1.00 0.00 H new ATOM 0 HG2 PRO A 54 13.244 -18.003 18.257 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.969 -17.603 17.124 1.00 0.00 H new ATOM 0 HD2 PRO A 54 14.818 -16.579 17.199 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.808 -16.906 15.804 1.00 0.00 H new ATOM 517 N SER A 55 11.648 -13.197 19.504 1.00 0.00 N ATOM 518 CA SER A 55 11.892 -12.028 20.396 1.00 0.00 C ATOM 519 C SER A 55 10.893 -12.044 21.554 1.00 0.00 C ATOM 520 O SER A 55 9.877 -12.708 21.504 1.00 0.00 O ATOM 521 CB SER A 55 11.715 -10.735 19.600 1.00 0.00 C ATOM 522 OG SER A 55 12.826 -10.554 18.734 1.00 0.00 O ATOM 0 H SER A 55 10.715 -13.605 19.567 1.00 0.00 H new ATOM 0 HA SER A 55 12.907 -12.084 20.790 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.792 -10.776 19.021 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.628 -9.887 20.279 1.00 0.00 H new ATOM 0 HG SER A 55 13.438 -11.314 18.824 1.00 0.00 H new ATOM 528 N VAL A 56 11.176 -11.301 22.593 1.00 0.00 N ATOM 529 CA VAL A 56 10.254 -11.239 23.769 1.00 0.00 C ATOM 530 C VAL A 56 9.523 -9.897 23.747 1.00 0.00 C ATOM 531 O VAL A 56 10.113 -8.856 23.955 1.00 0.00 O ATOM 532 CB VAL A 56 11.069 -11.352 25.060 1.00 0.00 C ATOM 533 CG1 VAL A 56 10.133 -11.236 26.265 1.00 0.00 C ATOM 534 CG2 VAL A 56 11.781 -12.706 25.096 1.00 0.00 C ATOM 0 H VAL A 56 12.016 -10.728 22.678 1.00 0.00 H new ATOM 0 HA VAL A 56 9.535 -12.057 23.723 1.00 0.00 H new ATOM 0 HB VAL A 56 11.808 -10.552 25.095 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.712 -11.316 27.185 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.625 -10.272 26.239 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.394 -12.037 26.230 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.362 -12.787 26.015 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.042 -13.507 25.061 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.447 -12.790 24.237 1.00 0.00 H new ATOM 544 N LEU A 57 8.244 -9.907 23.479 1.00 0.00 N ATOM 545 CA LEU A 57 7.480 -8.626 23.424 1.00 0.00 C ATOM 546 C LEU A 57 6.865 -8.301 24.778 1.00 0.00 C ATOM 547 O LEU A 57 6.443 -9.166 25.521 1.00 0.00 O ATOM 548 CB LEU A 57 6.352 -8.731 22.404 1.00 0.00 C ATOM 549 CG LEU A 57 6.916 -9.093 21.027 1.00 0.00 C ATOM 550 CD1 LEU A 57 5.753 -9.263 20.044 1.00 0.00 C ATOM 551 CD2 LEU A 57 7.854 -7.977 20.536 1.00 0.00 C ATOM 0 H LEU A 57 7.695 -10.747 23.296 1.00 0.00 H new ATOM 0 HA LEU A 57 8.178 -7.838 23.140 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.634 -9.487 22.721 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.814 -7.785 22.347 1.00 0.00 H new ATOM 0 HG LEU A 57 7.481 -10.022 21.094 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.143 -9.521 19.060 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.095 -10.058 20.393 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.192 -8.331 19.979 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.252 -8.241 19.556 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.299 -7.042 20.463 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.677 -7.857 21.241 1.00 0.00 H new ATOM 563 N ASP A 58 6.799 -7.040 25.077 1.00 0.00 N ATOM 564 CA ASP A 58 6.201 -6.570 26.353 1.00 0.00 C ATOM 565 C ASP A 58 4.775 -6.061 26.044 1.00 0.00 C ATOM 566 O ASP A 58 4.578 -5.354 25.076 1.00 0.00 O ATOM 567 CB ASP A 58 7.078 -5.430 26.880 1.00 0.00 C ATOM 568 CG ASP A 58 6.320 -4.603 27.922 1.00 0.00 C ATOM 569 OD1 ASP A 58 5.341 -3.981 27.554 1.00 0.00 O ATOM 570 OD2 ASP A 58 6.734 -4.609 29.070 1.00 0.00 O ATOM 0 H ASP A 58 7.144 -6.293 24.474 1.00 0.00 H new ATOM 0 HA ASP A 58 6.146 -7.362 27.100 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.987 -5.838 27.323 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.386 -4.789 26.054 1.00 0.00 H new ATOM 575 N PRO A 59 3.780 -6.420 26.828 1.00 0.00 N ATOM 576 CA PRO A 59 2.370 -5.985 26.573 1.00 0.00 C ATOM 577 C PRO A 59 2.116 -4.517 26.947 1.00 0.00 C ATOM 578 O PRO A 59 1.166 -3.911 26.493 1.00 0.00 O ATOM 579 CB PRO A 59 1.548 -6.924 27.465 1.00 0.00 C ATOM 580 CG PRO A 59 2.451 -7.234 28.614 1.00 0.00 C ATOM 581 CD PRO A 59 3.871 -7.271 28.034 1.00 0.00 C ATOM 0 HA PRO A 59 2.114 -6.041 25.515 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.627 -6.447 27.801 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.261 -7.829 26.930 1.00 0.00 H new ATOM 0 HG2 PRO A 59 2.367 -6.476 29.393 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.190 -8.189 29.069 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.603 -6.884 28.743 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.175 -8.288 27.785 1.00 0.00 H new ATOM 589 N ALA A 60 2.944 -3.944 27.775 1.00 0.00 N ATOM 590 CA ALA A 60 2.732 -2.522 28.179 1.00 0.00 C ATOM 591 C ALA A 60 3.360 -1.578 27.148 1.00 0.00 C ATOM 592 O ALA A 60 2.769 -0.591 26.756 1.00 0.00 O ATOM 593 CB ALA A 60 3.381 -2.283 29.543 1.00 0.00 C ATOM 0 H ALA A 60 3.758 -4.397 28.190 1.00 0.00 H new ATOM 0 HA ALA A 60 1.661 -2.325 28.235 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.229 -1.246 29.842 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.928 -2.944 30.282 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.449 -2.489 29.479 1.00 0.00 H new ATOM 599 N LYS A 61 4.558 -1.863 26.718 1.00 0.00 N ATOM 600 CA LYS A 61 5.230 -0.976 25.732 1.00 0.00 C ATOM 601 C LYS A 61 4.498 -1.052 24.380 1.00 0.00 C ATOM 602 O LYS A 61 4.456 -0.092 23.636 1.00 0.00 O ATOM 603 CB LYS A 61 6.713 -1.420 25.588 1.00 0.00 C ATOM 604 CG LYS A 61 7.672 -0.213 25.604 1.00 0.00 C ATOM 605 CD LYS A 61 7.722 0.455 24.212 1.00 0.00 C ATOM 606 CE LYS A 61 8.786 -0.223 23.339 1.00 0.00 C ATOM 607 NZ LYS A 61 10.136 0.279 23.723 1.00 0.00 N ATOM 0 H LYS A 61 5.101 -2.676 27.009 1.00 0.00 H new ATOM 0 HA LYS A 61 5.201 0.059 26.074 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.970 -2.100 26.400 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.839 -1.973 24.657 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.343 0.511 26.350 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.671 -0.538 25.894 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.747 0.384 23.731 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.949 1.516 24.317 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.739 -1.305 23.464 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.595 -0.015 22.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.772 0.226 22.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.062 1.267 24.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.517 -0.305 24.495 1.00 0.00 H new ATOM 621 N VAL A 62 3.919 -2.179 24.054 1.00 0.00 N ATOM 622 CA VAL A 62 3.197 -2.289 22.753 1.00 0.00 C ATOM 623 C VAL A 62 1.948 -1.406 22.798 1.00 0.00 C ATOM 624 O VAL A 62 1.730 -0.579 21.936 1.00 0.00 O ATOM 625 CB VAL A 62 2.794 -3.750 22.507 1.00 0.00 C ATOM 626 CG1 VAL A 62 1.857 -3.831 21.298 1.00 0.00 C ATOM 627 CG2 VAL A 62 4.046 -4.589 22.233 1.00 0.00 C ATOM 0 H VAL A 62 3.915 -3.022 24.628 1.00 0.00 H new ATOM 0 HA VAL A 62 3.847 -1.960 21.942 1.00 0.00 H new ATOM 0 HB VAL A 62 2.283 -4.133 23.390 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.573 -4.869 21.127 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.963 -3.237 21.490 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.367 -3.444 20.416 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.758 -5.626 22.059 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.558 -4.201 21.352 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.714 -4.538 23.093 1.00 0.00 H new ATOM 637 N GLN A 63 1.129 -1.571 23.800 1.00 0.00 N ATOM 638 CA GLN A 63 -0.102 -0.737 23.901 1.00 0.00 C ATOM 639 C GLN A 63 0.272 0.737 23.737 1.00 0.00 C ATOM 640 O GLN A 63 -0.431 1.499 23.103 1.00 0.00 O ATOM 641 CB GLN A 63 -0.748 -0.952 25.272 1.00 0.00 C ATOM 642 CG GLN A 63 -1.210 -2.407 25.399 1.00 0.00 C ATOM 643 CD GLN A 63 -2.510 -2.605 24.615 1.00 0.00 C ATOM 644 OE1 GLN A 63 -2.941 -1.723 23.899 1.00 0.00 O ATOM 645 NE2 GLN A 63 -3.156 -3.733 24.721 1.00 0.00 N ATOM 0 H GLN A 63 1.259 -2.247 24.553 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.806 -1.023 23.119 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.035 -0.716 26.062 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.596 -0.278 25.396 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.439 -3.078 25.020 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.364 -2.660 26.448 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.794 -4.473 25.322 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.023 -3.875 24.203 1.00 0.00 H new ATOM 654 N SER A 64 1.377 1.144 24.300 1.00 0.00 N ATOM 655 CA SER A 64 1.798 2.567 24.173 1.00 0.00 C ATOM 656 C SER A 64 2.030 2.897 22.697 1.00 0.00 C ATOM 657 O SER A 64 1.713 3.975 22.235 1.00 0.00 O ATOM 658 CB SER A 64 3.094 2.788 24.956 1.00 0.00 C ATOM 659 OG SER A 64 3.476 4.153 24.864 1.00 0.00 O ATOM 0 H SER A 64 2.006 0.552 24.842 1.00 0.00 H new ATOM 0 HA SER A 64 1.018 3.215 24.573 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.953 2.508 26.000 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.884 2.151 24.559 1.00 0.00 H new ATOM 0 HG SER A 64 4.418 4.247 25.116 1.00 0.00 H new ATOM 665 N LEU A 65 2.579 1.976 21.953 1.00 0.00 N ATOM 666 CA LEU A 65 2.828 2.231 20.511 1.00 0.00 C ATOM 667 C LEU A 65 1.496 2.136 19.757 1.00 0.00 C ATOM 668 O LEU A 65 1.152 2.999 18.975 1.00 0.00 O ATOM 669 CB LEU A 65 3.827 1.179 19.993 1.00 0.00 C ATOM 670 CG LEU A 65 5.272 1.713 20.108 1.00 0.00 C ATOM 671 CD1 LEU A 65 6.255 0.539 20.178 1.00 0.00 C ATOM 672 CD2 LEU A 65 5.609 2.589 18.893 1.00 0.00 C ATOM 0 H LEU A 65 2.866 1.055 22.286 1.00 0.00 H new ATOM 0 HA LEU A 65 3.248 3.225 20.356 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.726 0.257 20.566 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.603 0.935 18.954 1.00 0.00 H new ATOM 0 HG LEU A 65 5.355 2.311 21.015 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.273 0.921 20.259 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.027 -0.075 21.050 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.165 -0.065 19.275 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.630 2.960 18.984 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.518 1.998 17.982 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.919 3.432 18.849 1.00 0.00 H new ATOM 684 N VAL A 66 0.739 1.102 20.002 1.00 0.00 N ATOM 685 CA VAL A 66 -0.573 0.963 19.318 1.00 0.00 C ATOM 686 C VAL A 66 -1.399 2.220 19.608 1.00 0.00 C ATOM 687 O VAL A 66 -2.185 2.665 18.796 1.00 0.00 O ATOM 688 CB VAL A 66 -1.281 -0.287 19.865 1.00 0.00 C ATOM 689 CG1 VAL A 66 -2.775 -0.249 19.534 1.00 0.00 C ATOM 690 CG2 VAL A 66 -0.654 -1.537 19.242 1.00 0.00 C ATOM 0 H VAL A 66 0.974 0.348 20.647 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.448 0.855 18.241 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.164 -0.311 20.948 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.258 -1.142 19.930 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.225 0.636 19.984 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.907 -0.214 18.453 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.154 -2.426 19.628 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.766 -1.499 18.158 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.405 -1.578 19.496 1.00 0.00 H new ATOM 700 N ASP A 67 -1.214 2.798 20.762 1.00 0.00 N ATOM 701 CA ASP A 67 -1.968 4.028 21.121 1.00 0.00 C ATOM 702 C ASP A 67 -1.370 5.229 20.376 1.00 0.00 C ATOM 703 O ASP A 67 -2.074 6.136 19.978 1.00 0.00 O ATOM 704 CB ASP A 67 -1.853 4.253 22.633 1.00 0.00 C ATOM 705 CG ASP A 67 -2.850 3.352 23.368 1.00 0.00 C ATOM 706 OD1 ASP A 67 -4.030 3.441 23.070 1.00 0.00 O ATOM 707 OD2 ASP A 67 -2.416 2.590 24.216 1.00 0.00 O ATOM 0 H ASP A 67 -0.567 2.467 21.477 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.016 3.918 20.841 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.838 4.036 22.966 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.050 5.298 22.871 1.00 0.00 H new ATOM 712 N THR A 68 -0.076 5.245 20.190 1.00 0.00 N ATOM 713 CA THR A 68 0.563 6.388 19.480 1.00 0.00 C ATOM 714 C THR A 68 0.120 6.393 18.017 1.00 0.00 C ATOM 715 O THR A 68 -0.337 7.392 17.498 1.00 0.00 O ATOM 716 CB THR A 68 2.085 6.237 19.554 1.00 0.00 C ATOM 717 OG1 THR A 68 2.459 5.870 20.875 1.00 0.00 O ATOM 718 CG2 THR A 68 2.750 7.561 19.183 1.00 0.00 C ATOM 0 H THR A 68 0.565 4.515 20.500 1.00 0.00 H new ATOM 0 HA THR A 68 0.264 7.325 19.949 1.00 0.00 H new ATOM 0 HB THR A 68 2.408 5.464 18.856 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.323 4.907 20.998 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.833 7.452 19.236 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.463 7.841 18.169 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.429 8.337 19.878 1.00 0.00 H new ATOM 726 N ILE A 69 0.250 5.281 17.350 1.00 0.00 N ATOM 727 CA ILE A 69 -0.163 5.211 15.921 1.00 0.00 C ATOM 728 C ILE A 69 -1.647 5.586 15.809 1.00 0.00 C ATOM 729 O ILE A 69 -2.056 6.278 14.898 1.00 0.00 O ATOM 730 CB ILE A 69 0.068 3.783 15.403 1.00 0.00 C ATOM 731 CG1 ILE A 69 1.543 3.403 15.634 1.00 0.00 C ATOM 732 CG2 ILE A 69 -0.257 3.714 13.902 1.00 0.00 C ATOM 733 CD1 ILE A 69 1.894 2.118 14.877 1.00 0.00 C ATOM 0 H ILE A 69 0.626 4.414 17.734 1.00 0.00 H new ATOM 0 HA ILE A 69 0.425 5.907 15.322 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.581 3.088 15.936 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.190 4.215 15.302 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.726 3.265 16.700 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.091 2.699 13.540 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.299 3.991 13.742 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.389 4.403 13.358 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.940 1.866 15.053 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.261 1.304 15.229 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.732 2.269 13.810 1.00 0.00 H new ATOM 745 N ARG A 70 -2.453 5.126 16.725 1.00 0.00 N ATOM 746 CA ARG A 70 -3.907 5.435 16.686 1.00 0.00 C ATOM 747 C ARG A 70 -4.159 6.898 17.086 1.00 0.00 C ATOM 748 O ARG A 70 -5.095 7.519 16.620 1.00 0.00 O ATOM 749 CB ARG A 70 -4.622 4.507 17.680 1.00 0.00 C ATOM 750 CG ARG A 70 -4.815 3.103 17.077 1.00 0.00 C ATOM 751 CD ARG A 70 -5.962 2.384 17.798 1.00 0.00 C ATOM 752 NE ARG A 70 -7.214 3.181 17.660 1.00 0.00 N ATOM 753 CZ ARG A 70 -8.232 2.936 18.438 1.00 0.00 C ATOM 754 NH1 ARG A 70 -8.155 1.993 19.337 1.00 0.00 N ATOM 755 NH2 ARG A 70 -9.329 3.633 18.317 1.00 0.00 N ATOM 0 H ARG A 70 -2.161 4.542 17.508 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.285 5.284 15.675 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.042 4.436 18.600 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.591 4.929 17.946 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.034 3.181 16.012 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.895 2.526 17.172 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.104 1.389 17.376 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.717 2.252 18.852 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.275 3.918 16.957 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.299 1.447 19.432 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.951 1.802 19.945 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.390 4.369 17.614 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.125 3.441 18.925 1.00 0.00 H new ATOM 769 N GLU A 71 -3.355 7.451 17.957 1.00 0.00 N ATOM 770 CA GLU A 71 -3.581 8.867 18.393 1.00 0.00 C ATOM 771 C GLU A 71 -2.792 9.830 17.499 1.00 0.00 C ATOM 772 O GLU A 71 -3.254 10.906 17.176 1.00 0.00 O ATOM 773 CB GLU A 71 -3.122 9.029 19.850 1.00 0.00 C ATOM 774 CG GLU A 71 -4.193 8.476 20.797 1.00 0.00 C ATOM 775 CD GLU A 71 -3.590 8.270 22.188 1.00 0.00 C ATOM 776 OE1 GLU A 71 -2.616 8.938 22.495 1.00 0.00 O ATOM 777 OE2 GLU A 71 -4.111 7.447 22.923 1.00 0.00 O ATOM 0 H GLU A 71 -2.554 6.988 18.385 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.643 9.099 18.311 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.180 8.503 20.005 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.939 10.081 20.068 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.035 9.166 20.853 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.580 7.532 20.414 1.00 0.00 H new ATOM 784 N ASP A 72 -1.602 9.464 17.108 1.00 0.00 N ATOM 785 CA ASP A 72 -0.786 10.374 16.249 1.00 0.00 C ATOM 786 C ASP A 72 0.230 9.550 15.439 1.00 0.00 C ATOM 787 O ASP A 72 1.270 9.189 15.954 1.00 0.00 O ATOM 788 CB ASP A 72 -0.028 11.352 17.149 1.00 0.00 C ATOM 789 CG ASP A 72 0.553 12.483 16.298 1.00 0.00 C ATOM 790 OD1 ASP A 72 0.504 12.370 15.084 1.00 0.00 O ATOM 791 OD2 ASP A 72 1.036 13.443 16.875 1.00 0.00 O ATOM 0 H ASP A 72 -1.159 8.576 17.345 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.440 10.916 15.566 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.698 11.760 17.906 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.772 10.832 17.677 1.00 0.00 H new ATOM 796 N PRO A 73 -0.048 9.236 14.188 1.00 0.00 N ATOM 797 CA PRO A 73 0.893 8.430 13.354 1.00 0.00 C ATOM 798 C PRO A 73 2.110 9.240 12.866 1.00 0.00 C ATOM 799 O PRO A 73 2.997 8.709 12.227 1.00 0.00 O ATOM 800 CB PRO A 73 0.024 7.972 12.174 1.00 0.00 C ATOM 801 CG PRO A 73 -1.011 9.040 12.022 1.00 0.00 C ATOM 802 CD PRO A 73 -1.271 9.595 13.429 1.00 0.00 C ATOM 0 HA PRO A 73 1.329 7.607 13.920 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.616 7.864 11.266 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.434 7.003 12.373 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.662 9.826 11.353 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.926 8.635 11.589 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.427 10.674 13.410 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.162 9.152 13.875 1.00 0.00 H new ATOM 810 N ASP A 74 2.158 10.518 13.150 1.00 0.00 N ATOM 811 CA ASP A 74 3.315 11.349 12.687 1.00 0.00 C ATOM 812 C ASP A 74 4.444 11.346 13.734 1.00 0.00 C ATOM 813 O ASP A 74 5.602 11.504 13.400 1.00 0.00 O ATOM 814 CB ASP A 74 2.842 12.787 12.452 1.00 0.00 C ATOM 815 CG ASP A 74 4.040 13.667 12.088 1.00 0.00 C ATOM 816 OD1 ASP A 74 4.834 13.242 11.265 1.00 0.00 O ATOM 817 OD2 ASP A 74 4.143 14.751 12.638 1.00 0.00 O ATOM 0 H ASP A 74 1.448 11.022 13.681 1.00 0.00 H new ATOM 0 HA ASP A 74 3.701 10.925 11.760 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.103 12.811 11.651 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.354 13.171 13.348 1.00 0.00 H new ATOM 822 N SER A 75 4.128 11.175 14.993 1.00 0.00 N ATOM 823 CA SER A 75 5.198 11.173 16.038 1.00 0.00 C ATOM 824 C SER A 75 5.819 9.774 16.137 1.00 0.00 C ATOM 825 O SER A 75 6.381 9.413 17.152 1.00 0.00 O ATOM 826 CB SER A 75 4.591 11.550 17.393 1.00 0.00 C ATOM 827 OG SER A 75 5.633 11.750 18.337 1.00 0.00 O ATOM 0 H SER A 75 3.180 11.037 15.342 1.00 0.00 H new ATOM 0 HA SER A 75 5.967 11.896 15.766 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.994 12.457 17.297 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.921 10.762 17.736 1.00 0.00 H new ATOM 0 HG SER A 75 6.293 11.030 18.254 1.00 0.00 H new ATOM 833 N VAL A 76 5.718 8.982 15.091 1.00 0.00 N ATOM 834 CA VAL A 76 6.294 7.597 15.110 1.00 0.00 C ATOM 835 C VAL A 76 7.334 7.484 13.971 1.00 0.00 C ATOM 836 O VAL A 76 6.967 7.475 12.813 1.00 0.00 O ATOM 837 CB VAL A 76 5.150 6.591 14.876 1.00 0.00 C ATOM 838 CG1 VAL A 76 5.520 5.212 15.443 1.00 0.00 C ATOM 839 CG2 VAL A 76 3.885 7.100 15.574 1.00 0.00 C ATOM 0 H VAL A 76 5.257 9.240 14.218 1.00 0.00 H new ATOM 0 HA VAL A 76 6.775 7.388 16.065 1.00 0.00 H new ATOM 0 HB VAL A 76 4.977 6.495 13.804 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.700 4.515 15.269 1.00 0.00 H new ATOM 0 HG12 VAL A 76 6.420 4.845 14.949 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.703 5.296 16.514 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.071 6.393 15.413 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.074 7.198 16.643 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.609 8.071 15.164 1.00 0.00 H new ATOM 849 N PRO A 77 8.619 7.421 14.273 1.00 0.00 N ATOM 850 CA PRO A 77 9.671 7.339 13.215 1.00 0.00 C ATOM 851 C PRO A 77 9.781 5.941 12.580 1.00 0.00 C ATOM 852 O PRO A 77 9.314 4.964 13.131 1.00 0.00 O ATOM 853 CB PRO A 77 10.965 7.716 13.953 1.00 0.00 C ATOM 854 CG PRO A 77 10.726 7.369 15.394 1.00 0.00 C ATOM 855 CD PRO A 77 9.207 7.423 15.628 1.00 0.00 C ATOM 0 HA PRO A 77 9.444 7.997 12.376 1.00 0.00 H new ATOM 0 HB2 PRO A 77 11.818 7.166 13.554 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.187 8.777 13.837 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.115 6.376 15.621 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.242 8.071 16.050 1.00 0.00 H new ATOM 0 HD2 PRO A 77 8.865 6.567 16.209 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.923 8.318 16.182 1.00 0.00 H new ATOM 863 N PRO A 78 10.404 5.854 11.424 1.00 0.00 N ATOM 864 CA PRO A 78 10.588 4.561 10.697 1.00 0.00 C ATOM 865 C PRO A 78 11.672 3.690 11.337 1.00 0.00 C ATOM 866 O PRO A 78 12.370 4.112 12.239 1.00 0.00 O ATOM 867 CB PRO A 78 11.005 5.000 9.287 1.00 0.00 C ATOM 868 CG PRO A 78 11.695 6.311 9.486 1.00 0.00 C ATOM 869 CD PRO A 78 11.004 6.983 10.679 1.00 0.00 C ATOM 0 HA PRO A 78 9.687 3.948 10.712 1.00 0.00 H new ATOM 0 HB2 PRO A 78 11.669 4.269 8.825 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.140 5.103 8.632 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.757 6.166 9.683 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.618 6.931 8.592 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.715 7.535 11.294 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.246 7.695 10.353 1.00 0.00 H new ATOM 877 N ILE A 79 11.815 2.477 10.867 1.00 0.00 N ATOM 878 CA ILE A 79 12.853 1.552 11.428 1.00 0.00 C ATOM 879 C ILE A 79 13.934 1.308 10.377 1.00 0.00 C ATOM 880 O ILE A 79 13.756 1.595 9.211 1.00 0.00 O ATOM 881 CB ILE A 79 12.199 0.215 11.795 1.00 0.00 C ATOM 882 CG1 ILE A 79 11.262 -0.234 10.660 1.00 0.00 C ATOM 883 CG2 ILE A 79 11.401 0.375 13.091 1.00 0.00 C ATOM 884 CD1 ILE A 79 11.029 -1.742 10.751 1.00 0.00 C ATOM 0 H ILE A 79 11.254 2.082 10.112 1.00 0.00 H new ATOM 0 HA ILE A 79 13.297 2.000 12.317 1.00 0.00 H new ATOM 0 HB ILE A 79 12.973 -0.539 11.938 1.00 0.00 H new ATOM 0 HG12 ILE A 79 10.312 0.295 10.729 1.00 0.00 H new ATOM 0 HG13 ILE A 79 11.698 0.019 9.694 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.936 -0.576 13.352 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.070 0.684 13.894 1.00 0.00 H new ATOM 0 HG23 ILE A 79 10.628 1.131 12.951 1.00 0.00 H new ATOM 0 HD11 ILE A 79 10.365 -2.057 9.946 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.982 -2.264 10.660 1.00 0.00 H new ATOM 0 HD13 ILE A 79 10.574 -1.982 11.712 1.00 0.00 H new ATOM 896 N ASP A 80 15.055 0.771 10.778 1.00 0.00 N ATOM 897 CA ASP A 80 16.148 0.499 9.800 1.00 0.00 C ATOM 898 C ASP A 80 15.961 -0.906 9.228 1.00 0.00 C ATOM 899 O ASP A 80 15.645 -1.842 9.936 1.00 0.00 O ATOM 900 CB ASP A 80 17.506 0.600 10.500 1.00 0.00 C ATOM 901 CG ASP A 80 18.610 0.053 9.589 1.00 0.00 C ATOM 902 OD1 ASP A 80 18.633 0.428 8.429 1.00 0.00 O ATOM 903 OD2 ASP A 80 19.411 -0.732 10.069 1.00 0.00 O ATOM 0 H ASP A 80 15.261 0.509 11.742 1.00 0.00 H new ATOM 0 HA ASP A 80 16.113 1.232 8.994 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.716 1.639 10.755 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.485 0.040 11.435 1.00 0.00 H new ATOM 908 N VAL A 81 16.144 -1.049 7.948 1.00 0.00 N ATOM 909 CA VAL A 81 15.972 -2.384 7.294 1.00 0.00 C ATOM 910 C VAL A 81 17.090 -2.592 6.264 1.00 0.00 C ATOM 911 O VAL A 81 17.454 -1.691 5.532 1.00 0.00 O ATOM 912 CB VAL A 81 14.589 -2.413 6.617 1.00 0.00 C ATOM 913 CG1 VAL A 81 14.524 -3.507 5.546 1.00 0.00 C ATOM 914 CG2 VAL A 81 13.516 -2.685 7.676 1.00 0.00 C ATOM 0 H VAL A 81 16.408 -0.293 7.316 1.00 0.00 H new ATOM 0 HA VAL A 81 16.031 -3.188 8.028 1.00 0.00 H new ATOM 0 HB VAL A 81 14.417 -1.448 6.139 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.537 -3.506 5.084 1.00 0.00 H new ATOM 0 HG12 VAL A 81 15.281 -3.317 4.785 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.708 -4.478 6.006 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.535 -2.707 7.202 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.710 -3.646 8.152 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.539 -1.896 8.428 1.00 0.00 H new ATOM 924 N LEU A 82 17.638 -3.777 6.210 1.00 0.00 N ATOM 925 CA LEU A 82 18.736 -4.061 5.238 1.00 0.00 C ATOM 926 C LEU A 82 18.138 -4.532 3.910 1.00 0.00 C ATOM 927 O LEU A 82 17.304 -5.415 3.869 1.00 0.00 O ATOM 928 CB LEU A 82 19.640 -5.161 5.804 1.00 0.00 C ATOM 929 CG LEU A 82 20.196 -4.735 7.181 1.00 0.00 C ATOM 930 CD1 LEU A 82 20.543 -5.976 8.007 1.00 0.00 C ATOM 931 CD2 LEU A 82 21.461 -3.889 6.999 1.00 0.00 C ATOM 0 H LEU A 82 17.371 -4.565 6.800 1.00 0.00 H new ATOM 0 HA LEU A 82 19.318 -3.154 5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 82 19.078 -6.090 5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 82 20.462 -5.357 5.116 1.00 0.00 H new ATOM 0 HG LEU A 82 19.436 -4.148 7.697 1.00 0.00 H new ATOM 0 HD11 LEU A 82 20.935 -5.670 8.977 1.00 0.00 H new ATOM 0 HD12 LEU A 82 19.647 -6.579 8.152 1.00 0.00 H new ATOM 0 HD13 LEU A 82 21.295 -6.564 7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 82 21.845 -3.594 7.976 1.00 0.00 H new ATOM 0 HD22 LEU A 82 22.217 -4.473 6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 82 21.222 -2.998 6.419 1.00 0.00 H new ATOM 943 N TRP A 83 18.561 -3.939 2.824 1.00 0.00 N ATOM 944 CA TRP A 83 18.036 -4.323 1.478 1.00 0.00 C ATOM 945 C TRP A 83 19.120 -5.103 0.729 1.00 0.00 C ATOM 946 O TRP A 83 20.150 -4.560 0.383 1.00 0.00 O ATOM 947 CB TRP A 83 17.715 -3.030 0.730 1.00 0.00 C ATOM 948 CG TRP A 83 17.265 -3.286 -0.677 1.00 0.00 C ATOM 949 CD1 TRP A 83 16.844 -4.467 -1.200 1.00 0.00 C ATOM 950 CD2 TRP A 83 17.188 -2.317 -1.753 1.00 0.00 C ATOM 951 NE1 TRP A 83 16.522 -4.272 -2.534 1.00 0.00 N ATOM 952 CE2 TRP A 83 16.722 -2.960 -2.920 1.00 0.00 C ATOM 953 CE3 TRP A 83 17.484 -0.949 -1.817 1.00 0.00 C ATOM 954 CZ2 TRP A 83 16.556 -2.262 -4.118 1.00 0.00 C ATOM 955 CZ3 TRP A 83 17.320 -0.241 -3.017 1.00 0.00 C ATOM 956 CH2 TRP A 83 16.858 -0.896 -4.166 1.00 0.00 C ATOM 0 H TRP A 83 19.258 -3.194 2.812 1.00 0.00 H new ATOM 0 HA TRP A 83 17.145 -4.946 1.560 1.00 0.00 H new ATOM 0 HB2 TRP A 83 16.937 -2.486 1.265 1.00 0.00 H new ATOM 0 HB3 TRP A 83 18.598 -2.391 0.717 1.00 0.00 H new ATOM 0 HD1 TRP A 83 16.772 -5.403 -0.665 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.180 -5.006 -3.154 1.00 0.00 H new ATOM 0 HE3 TRP A 83 17.841 -0.436 -0.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 16.198 -2.772 -5.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 17.551 0.813 -3.055 1.00 0.00 H new ATOM 0 HH2 TRP A 83 16.735 -0.347 -5.088 1.00 0.00 H new ATOM 967 N ILE A 84 18.904 -6.377 0.484 1.00 0.00 N ATOM 968 CA ILE A 84 19.933 -7.201 -0.235 1.00 0.00 C ATOM 969 C ILE A 84 19.285 -7.932 -1.413 1.00 0.00 C ATOM 970 O ILE A 84 18.165 -8.396 -1.337 1.00 0.00 O ATOM 971 CB ILE A 84 20.533 -8.221 0.737 1.00 0.00 C ATOM 972 CG1 ILE A 84 20.987 -7.501 2.008 1.00 0.00 C ATOM 973 CG2 ILE A 84 21.743 -8.897 0.088 1.00 0.00 C ATOM 974 CD1 ILE A 84 21.699 -8.491 2.929 1.00 0.00 C ATOM 0 H ILE A 84 18.059 -6.882 0.751 1.00 0.00 H new ATOM 0 HA ILE A 84 20.720 -6.548 -0.612 1.00 0.00 H new ATOM 0 HB ILE A 84 19.782 -8.972 0.983 1.00 0.00 H new ATOM 0 HG12 ILE A 84 21.656 -6.679 1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 84 20.128 -7.066 2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 84 22.169 -9.623 0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 84 21.430 -9.406 -0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 84 22.493 -8.144 -0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 84 22.022 -7.978 3.835 1.00 0.00 H new ATOM 0 HD12 ILE A 84 21.016 -9.298 3.194 1.00 0.00 H new ATOM 0 HD13 ILE A 84 22.568 -8.905 2.417 1.00 0.00 H new ATOM 986 N LYS A 85 19.992 -8.022 -2.511 1.00 0.00 N ATOM 987 CA LYS A 85 19.455 -8.704 -3.728 1.00 0.00 C ATOM 988 C LYS A 85 20.060 -10.112 -3.828 1.00 0.00 C ATOM 989 O LYS A 85 21.114 -10.386 -3.289 1.00 0.00 O ATOM 990 CB LYS A 85 19.844 -7.851 -4.963 1.00 0.00 C ATOM 991 CG LYS A 85 18.607 -7.436 -5.761 1.00 0.00 C ATOM 992 CD LYS A 85 19.021 -6.398 -6.815 1.00 0.00 C ATOM 993 CE LYS A 85 17.792 -5.864 -7.592 1.00 0.00 C ATOM 994 NZ LYS A 85 16.528 -6.284 -6.927 1.00 0.00 N ATOM 0 H LYS A 85 20.934 -7.645 -2.617 1.00 0.00 H new ATOM 0 HA LYS A 85 18.371 -8.801 -3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.385 -6.962 -4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.519 -8.420 -5.603 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.160 -8.305 -6.243 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.852 -7.017 -5.096 1.00 0.00 H new ATOM 0 HD2 LYS A 85 19.535 -5.569 -6.329 1.00 0.00 H new ATOM 0 HD3 LYS A 85 19.728 -6.847 -7.513 1.00 0.00 H new ATOM 0 HE2 LYS A 85 17.835 -4.776 -7.649 1.00 0.00 H new ATOM 0 HE3 LYS A 85 17.812 -6.237 -8.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.722 -5.807 -7.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.415 -7.314 -7.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 16.562 -6.024 -5.921 1.00 0.00 H new ATOM 1008 N GLY A 86 19.389 -11.008 -4.507 1.00 0.00 N ATOM 1009 CA GLY A 86 19.904 -12.407 -4.641 1.00 0.00 C ATOM 1010 C GLY A 86 20.606 -12.598 -5.987 1.00 0.00 C ATOM 1011 O GLY A 86 20.847 -11.659 -6.720 1.00 0.00 O ATOM 0 H GLY A 86 18.501 -10.830 -4.977 1.00 0.00 H new ATOM 0 HA2 GLY A 86 20.598 -12.624 -3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.079 -13.114 -4.552 1.00 0.00 H new ATOM 1015 N ALA A 87 20.947 -13.820 -6.301 1.00 0.00 N ATOM 1016 CA ALA A 87 21.652 -14.109 -7.583 1.00 0.00 C ATOM 1017 C ALA A 87 20.725 -13.871 -8.788 1.00 0.00 C ATOM 1018 O ALA A 87 21.180 -13.837 -9.914 1.00 0.00 O ATOM 1019 CB ALA A 87 22.119 -15.572 -7.574 1.00 0.00 C ATOM 0 H ALA A 87 20.765 -14.637 -5.718 1.00 0.00 H new ATOM 0 HA ALA A 87 22.507 -13.439 -7.674 1.00 0.00 H new ATOM 0 HB1 ALA A 87 22.636 -15.795 -8.507 1.00 0.00 H new ATOM 0 HB2 ALA A 87 22.797 -15.732 -6.736 1.00 0.00 H new ATOM 0 HB3 ALA A 87 21.255 -16.229 -7.472 1.00 0.00 H new ATOM 1025 N GLN A 88 19.436 -13.717 -8.571 1.00 0.00 N ATOM 1026 CA GLN A 88 18.488 -13.493 -9.715 1.00 0.00 C ATOM 1027 C GLN A 88 17.765 -12.152 -9.548 1.00 0.00 C ATOM 1028 O GLN A 88 16.710 -11.930 -10.108 1.00 0.00 O ATOM 1029 CB GLN A 88 17.473 -14.637 -9.747 1.00 0.00 C ATOM 1030 CG GLN A 88 18.237 -15.957 -9.846 1.00 0.00 C ATOM 1031 CD GLN A 88 17.257 -17.131 -9.850 1.00 0.00 C ATOM 1032 OE1 GLN A 88 16.061 -16.940 -9.940 1.00 0.00 O ATOM 1033 NE2 GLN A 88 17.721 -18.349 -9.755 1.00 0.00 N ATOM 0 H GLN A 88 18.999 -13.737 -7.649 1.00 0.00 H new ATOM 0 HA GLN A 88 19.044 -13.469 -10.652 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.856 -14.622 -8.848 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.800 -14.523 -10.597 1.00 0.00 H new ATOM 0 HG2 GLN A 88 18.838 -15.971 -10.755 1.00 0.00 H new ATOM 0 HG3 GLN A 88 18.926 -16.051 -9.007 1.00 0.00 H new ATOM 0 HE21 GLN A 88 18.726 -18.508 -9.680 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.078 -19.141 -9.756 1.00 0.00 H new ATOM 1042 N GLY A 89 18.341 -11.248 -8.805 1.00 0.00 N ATOM 1043 CA GLY A 89 17.712 -9.908 -8.623 1.00 0.00 C ATOM 1044 C GLY A 89 16.609 -9.956 -7.555 1.00 0.00 C ATOM 1045 O GLY A 89 16.107 -8.936 -7.127 1.00 0.00 O ATOM 0 H GLY A 89 19.225 -11.380 -8.313 1.00 0.00 H new ATOM 0 HA2 GLY A 89 18.472 -9.182 -8.333 1.00 0.00 H new ATOM 0 HA3 GLY A 89 17.292 -9.568 -9.570 1.00 0.00 H new ATOM 1049 N GLY A 90 16.220 -11.125 -7.129 1.00 0.00 N ATOM 1050 CA GLY A 90 15.150 -11.231 -6.103 1.00 0.00 C ATOM 1051 C GLY A 90 15.479 -10.329 -4.915 1.00 0.00 C ATOM 1052 O GLY A 90 16.429 -10.550 -4.191 1.00 0.00 O ATOM 0 H GLY A 90 16.600 -12.015 -7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.191 -10.944 -6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.054 -12.265 -5.771 1.00 0.00 H new ATOM 1056 N ASP A 91 14.693 -9.318 -4.710 1.00 0.00 N ATOM 1057 CA ASP A 91 14.937 -8.395 -3.570 1.00 0.00 C ATOM 1058 C ASP A 91 14.446 -9.050 -2.277 1.00 0.00 C ATOM 1059 O ASP A 91 13.361 -9.595 -2.219 1.00 0.00 O ATOM 1060 CB ASP A 91 14.172 -7.089 -3.794 1.00 0.00 C ATOM 1061 CG ASP A 91 14.878 -6.250 -4.855 1.00 0.00 C ATOM 1062 OD1 ASP A 91 15.961 -5.765 -4.576 1.00 0.00 O ATOM 1063 OD2 ASP A 91 14.324 -6.106 -5.932 1.00 0.00 O ATOM 0 H ASP A 91 13.884 -9.087 -5.287 1.00 0.00 H new ATOM 0 HA ASP A 91 16.004 -8.184 -3.496 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.151 -7.305 -4.108 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.107 -6.531 -2.860 1.00 0.00 H new ATOM 1068 N TYR A 92 15.239 -8.991 -1.241 1.00 0.00 N ATOM 1069 CA TYR A 92 14.846 -9.595 0.072 1.00 0.00 C ATOM 1070 C TYR A 92 15.033 -8.540 1.168 1.00 0.00 C ATOM 1071 O TYR A 92 16.071 -7.915 1.260 1.00 0.00 O ATOM 1072 CB TYR A 92 15.739 -10.808 0.343 1.00 0.00 C ATOM 1073 CG TYR A 92 15.519 -11.838 -0.745 1.00 0.00 C ATOM 1074 CD1 TYR A 92 14.483 -12.775 -0.627 1.00 0.00 C ATOM 1075 CD2 TYR A 92 16.346 -11.855 -1.876 1.00 0.00 C ATOM 1076 CE1 TYR A 92 14.276 -13.724 -1.634 1.00 0.00 C ATOM 1077 CE2 TYR A 92 16.138 -12.806 -2.882 1.00 0.00 C ATOM 1078 CZ TYR A 92 15.103 -13.740 -2.761 1.00 0.00 C ATOM 1079 OH TYR A 92 14.899 -14.676 -3.754 1.00 0.00 O ATOM 0 H TYR A 92 16.156 -8.544 -1.246 1.00 0.00 H new ATOM 0 HA TYR A 92 13.805 -9.917 0.055 1.00 0.00 H new ATOM 0 HB2 TYR A 92 16.786 -10.506 0.369 1.00 0.00 H new ATOM 0 HB3 TYR A 92 15.507 -11.236 1.318 1.00 0.00 H new ATOM 0 HD1 TYR A 92 13.843 -12.764 0.243 1.00 0.00 H new ATOM 0 HD2 TYR A 92 17.144 -11.134 -1.972 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.477 -14.445 -1.541 1.00 0.00 H new ATOM 0 HE2 TYR A 92 16.777 -12.819 -3.753 1.00 0.00 H new ATOM 0 HH TYR A 92 15.560 -14.547 -4.466 1.00 0.00 H new ATOM 1089 N PHE A 93 14.026 -8.314 1.985 1.00 0.00 N ATOM 1090 CA PHE A 93 14.129 -7.277 3.057 1.00 0.00 C ATOM 1091 C PHE A 93 14.289 -7.944 4.425 1.00 0.00 C ATOM 1092 O PHE A 93 13.465 -8.726 4.851 1.00 0.00 O ATOM 1093 CB PHE A 93 12.853 -6.426 3.037 1.00 0.00 C ATOM 1094 CG PHE A 93 12.678 -5.807 1.664 1.00 0.00 C ATOM 1095 CD1 PHE A 93 13.443 -4.692 1.290 1.00 0.00 C ATOM 1096 CD2 PHE A 93 11.759 -6.356 0.759 1.00 0.00 C ATOM 1097 CE1 PHE A 93 13.286 -4.132 0.017 1.00 0.00 C ATOM 1098 CE2 PHE A 93 11.607 -5.795 -0.514 1.00 0.00 C ATOM 1099 CZ PHE A 93 12.372 -4.684 -0.885 1.00 0.00 C ATOM 0 H PHE A 93 13.134 -8.808 1.951 1.00 0.00 H new ATOM 0 HA PHE A 93 15.001 -6.648 2.878 1.00 0.00 H new ATOM 0 HB2 PHE A 93 11.988 -7.043 3.282 1.00 0.00 H new ATOM 0 HB3 PHE A 93 12.913 -5.645 3.795 1.00 0.00 H new ATOM 0 HD1 PHE A 93 14.153 -4.266 1.984 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.167 -7.213 1.045 1.00 0.00 H new ATOM 0 HE1 PHE A 93 13.872 -3.271 -0.269 1.00 0.00 H new ATOM 0 HE2 PHE A 93 10.899 -6.220 -1.210 1.00 0.00 H new ATOM 0 HZ PHE A 93 12.256 -4.253 -1.868 1.00 0.00 H new ATOM 1109 N TYR A 94 15.356 -7.628 5.115 1.00 0.00 N ATOM 1110 CA TYR A 94 15.611 -8.223 6.463 1.00 0.00 C ATOM 1111 C TYR A 94 15.361 -7.160 7.538 1.00 0.00 C ATOM 1112 O TYR A 94 15.781 -6.028 7.410 1.00 0.00 O ATOM 1113 CB TYR A 94 17.081 -8.677 6.528 1.00 0.00 C ATOM 1114 CG TYR A 94 17.188 -10.116 6.097 1.00 0.00 C ATOM 1115 CD1 TYR A 94 17.287 -10.435 4.740 1.00 0.00 C ATOM 1116 CD2 TYR A 94 17.179 -11.128 7.058 1.00 0.00 C ATOM 1117 CE1 TYR A 94 17.378 -11.771 4.343 1.00 0.00 C ATOM 1118 CE2 TYR A 94 17.270 -12.465 6.663 1.00 0.00 C ATOM 1119 CZ TYR A 94 17.370 -12.788 5.304 1.00 0.00 C ATOM 1120 OH TYR A 94 17.459 -14.109 4.913 1.00 0.00 O ATOM 0 H TYR A 94 16.071 -6.974 4.797 1.00 0.00 H new ATOM 0 HA TYR A 94 14.949 -9.072 6.631 1.00 0.00 H new ATOM 0 HB2 TYR A 94 17.695 -8.048 5.883 1.00 0.00 H new ATOM 0 HB3 TYR A 94 17.463 -8.562 7.543 1.00 0.00 H new ATOM 0 HD1 TYR A 94 17.293 -9.649 3.999 1.00 0.00 H new ATOM 0 HD2 TYR A 94 17.102 -10.878 8.106 1.00 0.00 H new ATOM 0 HE1 TYR A 94 17.455 -12.019 3.295 1.00 0.00 H new ATOM 0 HE2 TYR A 94 17.263 -13.249 7.406 1.00 0.00 H new ATOM 0 HH TYR A 94 17.441 -14.686 5.705 1.00 0.00 H new ATOM 1130 N SER A 95 14.695 -7.528 8.601 1.00 0.00 N ATOM 1131 CA SER A 95 14.417 -6.559 9.710 1.00 0.00 C ATOM 1132 C SER A 95 15.003 -7.109 11.018 1.00 0.00 C ATOM 1133 O SER A 95 14.653 -8.186 11.458 1.00 0.00 O ATOM 1134 CB SER A 95 12.892 -6.378 9.857 1.00 0.00 C ATOM 1135 OG SER A 95 12.533 -5.056 9.495 1.00 0.00 O ATOM 0 H SER A 95 14.327 -8.467 8.752 1.00 0.00 H new ATOM 0 HA SER A 95 14.874 -5.596 9.485 1.00 0.00 H new ATOM 0 HB2 SER A 95 12.368 -7.094 9.224 1.00 0.00 H new ATOM 0 HB3 SER A 95 12.589 -6.579 10.885 1.00 0.00 H new ATOM 0 HG SER A 95 11.564 -4.943 9.587 1.00 0.00 H new ATOM 1141 N PHE A 96 15.859 -6.356 11.657 1.00 0.00 N ATOM 1142 CA PHE A 96 16.440 -6.792 12.957 1.00 0.00 C ATOM 1143 C PHE A 96 16.257 -5.642 13.944 1.00 0.00 C ATOM 1144 O PHE A 96 17.111 -4.790 14.092 1.00 0.00 O ATOM 1145 CB PHE A 96 17.931 -7.051 12.802 1.00 0.00 C ATOM 1146 CG PHE A 96 18.159 -8.339 12.046 1.00 0.00 C ATOM 1147 CD1 PHE A 96 17.828 -9.565 12.631 1.00 0.00 C ATOM 1148 CD2 PHE A 96 18.727 -8.308 10.771 1.00 0.00 C ATOM 1149 CE1 PHE A 96 18.063 -10.758 11.938 1.00 0.00 C ATOM 1150 CE2 PHE A 96 18.968 -9.496 10.080 1.00 0.00 C ATOM 1151 CZ PHE A 96 18.635 -10.723 10.662 1.00 0.00 C ATOM 0 H PHE A 96 16.183 -5.447 11.328 1.00 0.00 H new ATOM 0 HA PHE A 96 15.951 -7.704 13.299 1.00 0.00 H new ATOM 0 HB2 PHE A 96 18.399 -6.221 12.272 1.00 0.00 H new ATOM 0 HB3 PHE A 96 18.402 -7.108 13.783 1.00 0.00 H new ATOM 0 HD1 PHE A 96 17.391 -9.591 13.618 1.00 0.00 H new ATOM 0 HD2 PHE A 96 18.981 -7.361 10.318 1.00 0.00 H new ATOM 0 HE1 PHE A 96 17.803 -11.705 12.388 1.00 0.00 H new ATOM 0 HE2 PHE A 96 19.412 -9.468 9.096 1.00 0.00 H new ATOM 0 HZ PHE A 96 18.819 -11.643 10.127 1.00 0.00 H new ATOM 1161 N GLY A 97 15.146 -5.613 14.611 1.00 0.00 N ATOM 1162 CA GLY A 97 14.865 -4.525 15.598 1.00 0.00 C ATOM 1163 C GLY A 97 13.422 -4.055 15.412 1.00 0.00 C ATOM 1164 O GLY A 97 12.638 -4.690 14.736 1.00 0.00 O ATOM 0 H GLY A 97 14.403 -6.306 14.518 1.00 0.00 H new ATOM 0 HA2 GLY A 97 15.016 -4.889 16.614 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.555 -3.694 15.451 1.00 0.00 H new ATOM 1168 N GLY A 98 13.064 -2.943 15.996 1.00 0.00 N ATOM 1169 CA GLY A 98 11.670 -2.436 15.839 1.00 0.00 C ATOM 1170 C GLY A 98 10.668 -3.577 16.054 1.00 0.00 C ATOM 1171 O GLY A 98 9.507 -3.464 15.714 1.00 0.00 O ATOM 0 H GLY A 98 13.675 -2.365 16.574 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.482 -1.637 16.556 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.540 -2.009 14.844 1.00 0.00 H new ATOM 1175 N CYS A 99 11.104 -4.677 16.610 1.00 0.00 N ATOM 1176 CA CYS A 99 10.172 -5.817 16.834 1.00 0.00 C ATOM 1177 C CYS A 99 8.903 -5.311 17.523 1.00 0.00 C ATOM 1178 O CYS A 99 7.800 -5.596 17.101 1.00 0.00 O ATOM 1179 CB CYS A 99 10.857 -6.861 17.718 1.00 0.00 C ATOM 1180 SG CYS A 99 12.564 -7.095 17.162 1.00 0.00 S ATOM 0 H CYS A 99 12.064 -4.833 16.918 1.00 0.00 H new ATOM 0 HA CYS A 99 9.906 -6.268 15.878 1.00 0.00 H new ATOM 0 HB2 CYS A 99 10.843 -6.537 18.759 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.315 -7.805 17.671 1.00 0.00 H new ATOM 0 HG CYS A 99 13.148 -7.980 17.914 1.00 0.00 H new ATOM 1186 N HIS A 100 9.048 -4.562 18.579 1.00 0.00 N ATOM 1187 CA HIS A 100 7.847 -4.039 19.288 1.00 0.00 C ATOM 1188 C HIS A 100 7.027 -3.175 18.326 1.00 0.00 C ATOM 1189 O HIS A 100 5.815 -3.249 18.295 1.00 0.00 O ATOM 1190 CB HIS A 100 8.290 -3.205 20.499 1.00 0.00 C ATOM 1191 CG HIS A 100 8.636 -4.122 21.647 1.00 0.00 C ATOM 1192 ND1 HIS A 100 9.758 -4.936 21.627 1.00 0.00 N ATOM 1193 CD2 HIS A 100 8.013 -4.372 22.848 1.00 0.00 C ATOM 1194 CE1 HIS A 100 9.777 -5.630 22.780 1.00 0.00 C ATOM 1195 NE2 HIS A 100 8.737 -5.325 23.560 1.00 0.00 N ATOM 0 H HIS A 100 9.944 -4.289 18.982 1.00 0.00 H new ATOM 0 HA HIS A 100 7.233 -4.870 19.635 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.153 -2.594 20.236 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.493 -2.522 20.794 1.00 0.00 H new ATOM 0 HD1 HIS A 100 10.444 -4.998 20.875 1.00 0.00 H new ATOM 0 HD2 HIS A 100 7.102 -3.901 23.187 1.00 0.00 H new ATOM 0 HE1 HIS A 100 10.541 -6.347 23.043 1.00 0.00 H new ATOM 1203 N ARG A 101 7.672 -2.360 17.537 1.00 0.00 N ATOM 1204 CA ARG A 101 6.912 -1.506 16.582 1.00 0.00 C ATOM 1205 C ARG A 101 6.237 -2.396 15.534 1.00 0.00 C ATOM 1206 O ARG A 101 5.173 -2.085 15.039 1.00 0.00 O ATOM 1207 CB ARG A 101 7.859 -0.505 15.908 1.00 0.00 C ATOM 1208 CG ARG A 101 8.269 0.566 16.928 1.00 0.00 C ATOM 1209 CD ARG A 101 9.059 1.685 16.238 1.00 0.00 C ATOM 1210 NE ARG A 101 10.477 1.257 16.064 1.00 0.00 N ATOM 1211 CZ ARG A 101 11.420 2.153 15.935 1.00 0.00 C ATOM 1212 NH1 ARG A 101 11.120 3.423 15.940 1.00 0.00 N ATOM 1213 NH2 ARG A 101 12.663 1.777 15.800 1.00 0.00 N ATOM 0 H ARG A 101 8.686 -2.249 17.512 1.00 0.00 H new ATOM 0 HA ARG A 101 6.146 -0.947 17.120 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.742 -1.020 15.528 1.00 0.00 H new ATOM 0 HB3 ARG A 101 7.368 -0.041 15.053 1.00 0.00 H new ATOM 0 HG2 ARG A 101 7.382 0.980 17.407 1.00 0.00 H new ATOM 0 HG3 ARG A 101 8.875 0.116 17.714 1.00 0.00 H new ATOM 0 HD2 ARG A 101 8.615 1.914 15.269 1.00 0.00 H new ATOM 0 HD3 ARG A 101 9.013 2.597 16.833 1.00 0.00 H new ATOM 0 HE ARG A 101 10.711 0.264 16.046 1.00 0.00 H new ATOM 0 HH11 ARG A 101 10.149 3.717 16.045 1.00 0.00 H new ATOM 0 HH12 ARG A 101 11.857 4.121 15.839 1.00 0.00 H new ATOM 0 HH21 ARG A 101 12.898 0.784 15.795 1.00 0.00 H new ATOM 0 HH22 ARG A 101 13.399 2.476 15.699 1.00 0.00 H new ATOM 1227 N TYR A 102 6.833 -3.512 15.203 1.00 0.00 N ATOM 1228 CA TYR A 102 6.205 -4.421 14.204 1.00 0.00 C ATOM 1229 C TYR A 102 4.909 -4.980 14.802 1.00 0.00 C ATOM 1230 O TYR A 102 3.893 -5.061 14.142 1.00 0.00 O ATOM 1231 CB TYR A 102 7.180 -5.563 13.874 1.00 0.00 C ATOM 1232 CG TYR A 102 6.459 -6.689 13.167 1.00 0.00 C ATOM 1233 CD1 TYR A 102 5.837 -7.685 13.923 1.00 0.00 C ATOM 1234 CD2 TYR A 102 6.424 -6.745 11.768 1.00 0.00 C ATOM 1235 CE1 TYR A 102 5.175 -8.738 13.286 1.00 0.00 C ATOM 1236 CE2 TYR A 102 5.762 -7.801 11.128 1.00 0.00 C ATOM 1237 CZ TYR A 102 5.137 -8.797 11.888 1.00 0.00 C ATOM 1238 OH TYR A 102 4.485 -9.838 11.259 1.00 0.00 O ATOM 0 H TYR A 102 7.725 -3.831 15.581 1.00 0.00 H new ATOM 0 HA TYR A 102 5.977 -3.881 13.285 1.00 0.00 H new ATOM 0 HB2 TYR A 102 7.988 -5.189 13.245 1.00 0.00 H new ATOM 0 HB3 TYR A 102 7.637 -5.935 14.791 1.00 0.00 H new ATOM 0 HD1 TYR A 102 5.868 -7.641 15.002 1.00 0.00 H new ATOM 0 HD2 TYR A 102 6.906 -5.976 11.184 1.00 0.00 H new ATOM 0 HE1 TYR A 102 4.693 -9.506 13.872 1.00 0.00 H new ATOM 0 HE2 TYR A 102 5.734 -7.847 10.049 1.00 0.00 H new ATOM 0 HH TYR A 102 3.661 -10.049 11.745 1.00 0.00 H new ATOM 1248 N ALA A 103 4.940 -5.361 16.050 1.00 0.00 N ATOM 1249 CA ALA A 103 3.714 -5.907 16.698 1.00 0.00 C ATOM 1250 C ALA A 103 2.615 -4.845 16.689 1.00 0.00 C ATOM 1251 O ALA A 103 1.467 -5.130 16.416 1.00 0.00 O ATOM 1252 CB ALA A 103 4.027 -6.292 18.146 1.00 0.00 C ATOM 0 H ALA A 103 5.764 -5.317 16.650 1.00 0.00 H new ATOM 0 HA ALA A 103 3.379 -6.787 16.149 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.129 -6.691 18.619 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.811 -7.049 18.160 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.363 -5.411 18.692 1.00 0.00 H new ATOM 1258 N ALA A 104 2.955 -3.622 16.991 1.00 0.00 N ATOM 1259 CA ALA A 104 1.923 -2.549 17.004 1.00 0.00 C ATOM 1260 C ALA A 104 1.316 -2.410 15.606 1.00 0.00 C ATOM 1261 O ALA A 104 0.114 -2.334 15.447 1.00 0.00 O ATOM 1262 CB ALA A 104 2.564 -1.223 17.425 1.00 0.00 C ATOM 0 H ALA A 104 3.900 -3.321 17.229 1.00 0.00 H new ATOM 0 HA ALA A 104 1.138 -2.808 17.715 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.807 -0.439 17.434 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.991 -1.326 18.423 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.351 -0.959 16.719 1.00 0.00 H new ATOM 1268 N TYR A 105 2.135 -2.382 14.591 1.00 0.00 N ATOM 1269 CA TYR A 105 1.603 -2.255 13.210 1.00 0.00 C ATOM 1270 C TYR A 105 0.853 -3.544 12.847 1.00 0.00 C ATOM 1271 O TYR A 105 -0.209 -3.510 12.257 1.00 0.00 O ATOM 1272 CB TYR A 105 2.784 -2.032 12.244 1.00 0.00 C ATOM 1273 CG TYR A 105 3.014 -0.552 12.019 1.00 0.00 C ATOM 1274 CD1 TYR A 105 2.334 0.114 10.992 1.00 0.00 C ATOM 1275 CD2 TYR A 105 3.909 0.151 12.835 1.00 0.00 C ATOM 1276 CE1 TYR A 105 2.549 1.481 10.781 1.00 0.00 C ATOM 1277 CE2 TYR A 105 4.123 1.518 12.624 1.00 0.00 C ATOM 1278 CZ TYR A 105 3.443 2.183 11.597 1.00 0.00 C ATOM 1279 OH TYR A 105 3.655 3.531 11.390 1.00 0.00 O ATOM 0 H TYR A 105 3.151 -2.442 14.661 1.00 0.00 H new ATOM 0 HA TYR A 105 0.916 -1.411 13.138 1.00 0.00 H new ATOM 0 HB2 TYR A 105 3.686 -2.488 12.652 1.00 0.00 H new ATOM 0 HB3 TYR A 105 2.581 -2.523 11.292 1.00 0.00 H new ATOM 0 HD1 TYR A 105 1.643 -0.427 10.362 1.00 0.00 H new ATOM 0 HD2 TYR A 105 4.434 -0.362 13.627 1.00 0.00 H new ATOM 0 HE1 TYR A 105 2.025 1.994 9.988 1.00 0.00 H new ATOM 0 HE2 TYR A 105 4.813 2.060 13.254 1.00 0.00 H new ATOM 0 HH TYR A 105 4.304 3.864 12.044 1.00 0.00 H new ATOM 1289 N GLN A 106 1.398 -4.679 13.195 1.00 0.00 N ATOM 1290 CA GLN A 106 0.721 -5.962 12.872 1.00 0.00 C ATOM 1291 C GLN A 106 -0.628 -6.024 13.593 1.00 0.00 C ATOM 1292 O GLN A 106 -1.624 -6.440 13.036 1.00 0.00 O ATOM 1293 CB GLN A 106 1.599 -7.123 13.335 1.00 0.00 C ATOM 1294 CG GLN A 106 1.095 -8.419 12.700 1.00 0.00 C ATOM 1295 CD GLN A 106 1.785 -9.621 13.354 1.00 0.00 C ATOM 1296 OE1 GLN A 106 2.714 -10.171 12.798 1.00 0.00 O ATOM 1297 NE2 GLN A 106 1.372 -10.062 14.514 1.00 0.00 N ATOM 0 H GLN A 106 2.285 -4.770 13.690 1.00 0.00 H new ATOM 0 HA GLN A 106 0.559 -6.030 11.796 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.637 -6.945 13.052 1.00 0.00 H new ATOM 0 HB3 GLN A 106 1.574 -7.203 14.422 1.00 0.00 H new ATOM 0 HG2 GLN A 106 0.015 -8.498 12.822 1.00 0.00 H new ATOM 0 HG3 GLN A 106 1.296 -8.412 11.629 1.00 0.00 H new ATOM 0 HE21 GLN A 106 0.592 -9.604 14.986 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.830 -10.864 14.947 1.00 0.00 H new ATOM 1306 N GLN A 107 -0.664 -5.617 14.833 1.00 0.00 N ATOM 1307 CA GLN A 107 -1.940 -5.653 15.599 1.00 0.00 C ATOM 1308 C GLN A 107 -2.965 -4.734 14.931 1.00 0.00 C ATOM 1309 O GLN A 107 -4.145 -5.026 14.897 1.00 0.00 O ATOM 1310 CB GLN A 107 -1.681 -5.181 17.035 1.00 0.00 C ATOM 1311 CG GLN A 107 -3.014 -5.050 17.790 1.00 0.00 C ATOM 1312 CD GLN A 107 -2.774 -5.156 19.300 1.00 0.00 C ATOM 1313 OE1 GLN A 107 -1.773 -4.686 19.803 1.00 0.00 O ATOM 1314 NE2 GLN A 107 -3.658 -5.761 20.046 1.00 0.00 N ATOM 0 H GLN A 107 0.140 -5.260 15.349 1.00 0.00 H new ATOM 0 HA GLN A 107 -2.329 -6.671 15.615 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -1.030 -5.889 17.548 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -1.163 -4.222 17.024 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -3.483 -4.095 17.554 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -3.702 -5.831 17.467 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.498 -6.155 19.623 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.509 -5.839 21.052 1.00 0.00 H new ATOM 1323 N LEU A 108 -2.526 -3.627 14.400 1.00 0.00 N ATOM 1324 CA LEU A 108 -3.475 -2.689 13.735 1.00 0.00 C ATOM 1325 C LEU A 108 -3.779 -3.188 12.320 1.00 0.00 C ATOM 1326 O LEU A 108 -4.277 -2.457 11.488 1.00 0.00 O ATOM 1327 CB LEU A 108 -2.844 -1.297 13.670 1.00 0.00 C ATOM 1328 CG LEU A 108 -2.678 -0.737 15.093 1.00 0.00 C ATOM 1329 CD1 LEU A 108 -1.896 0.584 15.035 1.00 0.00 C ATOM 1330 CD2 LEU A 108 -4.058 -0.499 15.740 1.00 0.00 C ATOM 0 H LEU A 108 -1.550 -3.330 14.397 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.404 -2.640 14.304 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.875 -1.349 13.174 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.470 -0.630 13.077 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.129 -1.460 15.697 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -1.778 0.982 16.043 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.914 0.406 14.598 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.441 1.303 14.423 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.924 -0.103 16.747 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.622 0.215 15.141 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.604 -1.441 15.791 1.00 0.00 H new ATOM 1342 N GLN A 109 -3.487 -4.432 12.051 1.00 0.00 N ATOM 1343 CA GLN A 109 -3.758 -5.014 10.702 1.00 0.00 C ATOM 1344 C GLN A 109 -3.384 -4.023 9.595 1.00 0.00 C ATOM 1345 O GLN A 109 -3.918 -4.073 8.505 1.00 0.00 O ATOM 1346 CB GLN A 109 -5.237 -5.423 10.581 1.00 0.00 C ATOM 1347 CG GLN A 109 -6.169 -4.209 10.690 1.00 0.00 C ATOM 1348 CD GLN A 109 -7.578 -4.634 10.280 1.00 0.00 C ATOM 1349 OE1 GLN A 109 -8.438 -3.804 10.059 1.00 0.00 O ATOM 1350 NE2 GLN A 109 -7.851 -5.905 10.170 1.00 0.00 N ATOM 0 H GLN A 109 -3.066 -5.080 12.717 1.00 0.00 H new ATOM 0 HA GLN A 109 -3.140 -5.904 10.584 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -5.400 -5.923 9.626 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -5.482 -6.142 11.363 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -6.172 -3.825 11.710 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -5.816 -3.403 10.047 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -7.128 -6.600 10.356 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -8.788 -6.204 9.898 1.00 0.00 H new ATOM 1359 N ARG A 110 -2.466 -3.131 9.853 1.00 0.00 N ATOM 1360 CA ARG A 110 -2.066 -2.161 8.802 1.00 0.00 C ATOM 1361 C ARG A 110 -1.569 -2.937 7.586 1.00 0.00 C ATOM 1362 O ARG A 110 -1.165 -4.077 7.688 1.00 0.00 O ATOM 1363 CB ARG A 110 -0.945 -1.263 9.336 1.00 0.00 C ATOM 1364 CG ARG A 110 -1.531 -0.183 10.261 1.00 0.00 C ATOM 1365 CD ARG A 110 -2.351 0.844 9.457 1.00 0.00 C ATOM 1366 NE ARG A 110 -2.276 2.169 10.135 1.00 0.00 N ATOM 1367 CZ ARG A 110 -2.991 3.168 9.696 1.00 0.00 C ATOM 1368 NH1 ARG A 110 -3.772 3.008 8.663 1.00 0.00 N ATOM 1369 NH2 ARG A 110 -2.926 4.328 10.291 1.00 0.00 N ATOM 0 H ARG A 110 -1.979 -3.035 10.744 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.917 -1.539 8.522 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.216 -1.863 9.880 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.417 -0.795 8.506 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.164 -0.649 11.016 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.725 0.324 10.791 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.965 0.920 8.440 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.389 0.519 9.381 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.666 2.295 10.942 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.824 2.101 8.198 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -4.331 3.789 8.320 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.316 4.453 11.099 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -3.485 5.109 9.948 1.00 0.00 H new ATOM 1383 N GLU A 111 -1.610 -2.333 6.436 1.00 0.00 N ATOM 1384 CA GLU A 111 -1.151 -3.038 5.204 1.00 0.00 C ATOM 1385 C GLU A 111 0.379 -2.964 5.085 1.00 0.00 C ATOM 1386 O GLU A 111 1.021 -3.931 4.719 1.00 0.00 O ATOM 1387 CB GLU A 111 -1.796 -2.389 3.973 1.00 0.00 C ATOM 1388 CG GLU A 111 -3.264 -2.811 3.884 1.00 0.00 C ATOM 1389 CD GLU A 111 -4.022 -2.279 5.102 1.00 0.00 C ATOM 1390 OE1 GLU A 111 -3.878 -1.105 5.399 1.00 0.00 O ATOM 1391 OE2 GLU A 111 -4.733 -3.056 5.718 1.00 0.00 O ATOM 0 H GLU A 111 -1.942 -1.379 6.292 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.448 -4.085 5.264 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -1.722 -1.304 4.040 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -1.265 -2.689 3.070 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.710 -2.424 2.967 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.339 -3.898 3.841 1.00 0.00 H new ATOM 1398 N THR A 112 0.972 -1.825 5.371 1.00 0.00 N ATOM 1399 CA THR A 112 2.462 -1.694 5.250 1.00 0.00 C ATOM 1400 C THR A 112 3.035 -0.995 6.480 1.00 0.00 C ATOM 1401 O THR A 112 2.313 -0.572 7.361 1.00 0.00 O ATOM 1402 CB THR A 112 2.782 -0.842 4.020 1.00 0.00 C ATOM 1403 OG1 THR A 112 2.048 0.373 4.095 1.00 0.00 O ATOM 1404 CG2 THR A 112 2.399 -1.587 2.731 1.00 0.00 C ATOM 0 H THR A 112 0.489 -0.982 5.682 1.00 0.00 H new ATOM 0 HA THR A 112 2.900 -2.688 5.161 1.00 0.00 H new ATOM 0 HB THR A 112 3.852 -0.637 4.000 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.987 0.774 3.203 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.634 -0.965 1.868 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.960 -2.520 2.670 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.331 -1.805 2.741 1.00 0.00 H new ATOM 1412 N ILE A 113 4.340 -0.858 6.533 1.00 0.00 N ATOM 1413 CA ILE A 113 4.986 -0.166 7.700 1.00 0.00 C ATOM 1414 C ILE A 113 6.136 0.730 7.199 1.00 0.00 C ATOM 1415 O ILE A 113 6.868 0.330 6.314 1.00 0.00 O ATOM 1416 CB ILE A 113 5.563 -1.207 8.670 1.00 0.00 C ATOM 1417 CG1 ILE A 113 5.979 -0.505 9.966 1.00 0.00 C ATOM 1418 CG2 ILE A 113 6.793 -1.887 8.052 1.00 0.00 C ATOM 1419 CD1 ILE A 113 6.351 -1.548 11.023 1.00 0.00 C ATOM 0 H ILE A 113 4.987 -1.195 5.820 1.00 0.00 H new ATOM 0 HA ILE A 113 4.236 0.438 8.210 1.00 0.00 H new ATOM 0 HB ILE A 113 4.804 -1.962 8.875 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.827 0.154 9.778 1.00 0.00 H new ATOM 0 HG13 ILE A 113 5.164 0.120 10.330 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.192 -2.623 8.751 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.507 -2.385 7.126 1.00 0.00 H new ATOM 0 HG23 ILE A 113 7.555 -1.137 7.840 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.646 -1.044 11.943 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.492 -2.189 11.220 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.180 -2.155 10.659 1.00 0.00 H new ATOM 1431 N PRO A 114 6.344 1.916 7.755 1.00 0.00 N ATOM 1432 CA PRO A 114 7.476 2.783 7.313 1.00 0.00 C ATOM 1433 C PRO A 114 8.825 2.150 7.681 1.00 0.00 C ATOM 1434 O PRO A 114 9.039 1.730 8.801 1.00 0.00 O ATOM 1435 CB PRO A 114 7.269 4.115 8.069 1.00 0.00 C ATOM 1436 CG PRO A 114 5.877 4.054 8.621 1.00 0.00 C ATOM 1437 CD PRO A 114 5.565 2.574 8.831 1.00 0.00 C ATOM 0 HA PRO A 114 7.490 2.922 6.232 1.00 0.00 H new ATOM 0 HB2 PRO A 114 8.002 4.231 8.867 1.00 0.00 H new ATOM 0 HB3 PRO A 114 7.388 4.968 7.401 1.00 0.00 H new ATOM 0 HG2 PRO A 114 5.806 4.603 9.560 1.00 0.00 H new ATOM 0 HG3 PRO A 114 5.165 4.508 7.932 1.00 0.00 H new ATOM 0 HD2 PRO A 114 5.873 2.232 9.819 1.00 0.00 H new ATOM 0 HD3 PRO A 114 4.498 2.369 8.741 1.00 0.00 H new ATOM 1445 N ALA A 115 9.732 2.077 6.749 1.00 0.00 N ATOM 1446 CA ALA A 115 11.064 1.470 7.044 1.00 0.00 C ATOM 1447 C ALA A 115 12.132 2.113 6.157 1.00 0.00 C ATOM 1448 O ALA A 115 11.963 2.252 4.962 1.00 0.00 O ATOM 1449 CB ALA A 115 11.010 -0.034 6.765 1.00 0.00 C ATOM 0 H ALA A 115 9.611 2.411 5.793 1.00 0.00 H new ATOM 0 HA ALA A 115 11.314 1.640 8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 115 11.982 -0.479 6.980 1.00 0.00 H new ATOM 0 HB2 ALA A 115 10.252 -0.495 7.398 1.00 0.00 H new ATOM 0 HB3 ALA A 115 10.758 -0.201 5.718 1.00 0.00 H new ATOM 1455 N LYS A 116 13.231 2.506 6.739 1.00 0.00 N ATOM 1456 CA LYS A 116 14.316 3.141 5.941 1.00 0.00 C ATOM 1457 C LYS A 116 15.076 2.055 5.168 1.00 0.00 C ATOM 1458 O LYS A 116 15.727 1.212 5.753 1.00 0.00 O ATOM 1459 CB LYS A 116 15.279 3.882 6.898 1.00 0.00 C ATOM 1460 CG LYS A 116 15.779 5.177 6.250 1.00 0.00 C ATOM 1461 CD LYS A 116 16.685 5.923 7.231 1.00 0.00 C ATOM 1462 CE LYS A 116 17.401 7.060 6.499 1.00 0.00 C ATOM 1463 NZ LYS A 116 18.447 6.493 5.602 1.00 0.00 N ATOM 0 H LYS A 116 13.425 2.414 7.736 1.00 0.00 H new ATOM 0 HA LYS A 116 13.893 3.854 5.233 1.00 0.00 H new ATOM 0 HB2 LYS A 116 14.769 4.109 7.834 1.00 0.00 H new ATOM 0 HB3 LYS A 116 16.125 3.240 7.143 1.00 0.00 H new ATOM 0 HG2 LYS A 116 16.325 4.950 5.334 1.00 0.00 H new ATOM 0 HG3 LYS A 116 14.934 5.805 5.969 1.00 0.00 H new ATOM 0 HD2 LYS A 116 16.095 6.322 8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 116 17.414 5.238 7.663 1.00 0.00 H new ATOM 0 HE2 LYS A 116 16.685 7.641 5.918 1.00 0.00 H new ATOM 0 HE3 LYS A 116 17.855 7.741 7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 19.152 7.226 5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 18.914 5.693 6.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 18.006 6.164 4.719 1.00 0.00 H new ATOM 1477 N LEU A 117 15.012 2.069 3.863 1.00 0.00 N ATOM 1478 CA LEU A 117 15.750 1.031 3.084 1.00 0.00 C ATOM 1479 C LEU A 117 17.226 1.421 3.005 1.00 0.00 C ATOM 1480 O LEU A 117 17.567 2.551 2.715 1.00 0.00 O ATOM 1481 CB LEU A 117 15.191 0.919 1.662 1.00 0.00 C ATOM 1482 CG LEU A 117 13.677 0.653 1.686 1.00 0.00 C ATOM 1483 CD1 LEU A 117 13.187 0.414 0.250 1.00 0.00 C ATOM 1484 CD2 LEU A 117 13.365 -0.585 2.538 1.00 0.00 C ATOM 0 H LEU A 117 14.488 2.745 3.308 1.00 0.00 H new ATOM 0 HA LEU A 117 15.634 0.070 3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 117 15.394 1.839 1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 117 15.697 0.113 1.131 1.00 0.00 H new ATOM 0 HG LEU A 117 13.171 1.516 2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.114 0.224 0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 117 13.395 1.295 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 117 13.704 -0.448 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 117 12.289 -0.760 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.871 -1.454 2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.713 -0.422 3.558 1.00 0.00 H new ATOM 1496 N VAL A 118 18.103 0.485 3.257 1.00 0.00 N ATOM 1497 CA VAL A 118 19.572 0.770 3.200 1.00 0.00 C ATOM 1498 C VAL A 118 20.262 -0.358 2.434 1.00 0.00 C ATOM 1499 O VAL A 118 20.255 -1.498 2.854 1.00 0.00 O ATOM 1500 CB VAL A 118 20.132 0.837 4.624 1.00 0.00 C ATOM 1501 CG1 VAL A 118 21.632 1.139 4.576 1.00 0.00 C ATOM 1502 CG2 VAL A 118 19.415 1.943 5.401 1.00 0.00 C ATOM 0 H VAL A 118 17.864 -0.476 3.503 1.00 0.00 H new ATOM 0 HA VAL A 118 19.748 1.721 2.698 1.00 0.00 H new ATOM 0 HB VAL A 118 19.973 -0.121 5.119 1.00 0.00 H new ATOM 0 HG11 VAL A 118 22.026 1.186 5.591 1.00 0.00 H new ATOM 0 HG12 VAL A 118 22.144 0.351 4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.795 2.095 4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.813 1.992 6.415 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.574 2.899 4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.347 1.727 5.440 1.00 0.00 H new ATOM 1512 N GLN A 119 20.853 -0.057 1.309 1.00 0.00 N ATOM 1513 CA GLN A 119 21.531 -1.129 0.529 1.00 0.00 C ATOM 1514 C GLN A 119 22.534 -1.848 1.433 1.00 0.00 C ATOM 1515 O GLN A 119 23.271 -1.225 2.172 1.00 0.00 O ATOM 1516 CB GLN A 119 22.277 -0.529 -0.668 1.00 0.00 C ATOM 1517 CG GLN A 119 21.276 0.088 -1.656 1.00 0.00 C ATOM 1518 CD GLN A 119 20.540 1.268 -1.007 1.00 0.00 C ATOM 1519 OE1 GLN A 119 19.329 1.326 -1.029 1.00 0.00 O ATOM 1520 NE2 GLN A 119 21.219 2.225 -0.436 1.00 0.00 N ATOM 0 H GLN A 119 20.895 0.877 0.900 1.00 0.00 H new ATOM 0 HA GLN A 119 20.780 -1.830 0.164 1.00 0.00 H new ATOM 0 HB2 GLN A 119 22.978 0.232 -0.326 1.00 0.00 H new ATOM 0 HB3 GLN A 119 22.863 -1.301 -1.166 1.00 0.00 H new ATOM 0 HG2 GLN A 119 21.800 0.426 -2.550 1.00 0.00 H new ATOM 0 HG3 GLN A 119 20.557 -0.667 -1.974 1.00 0.00 H new ATOM 0 HE21 GLN A 119 22.238 2.184 -0.413 1.00 0.00 H new ATOM 0 HE22 GLN A 119 20.731 3.014 -0.013 1.00 0.00 H new ATOM 1529 N SER A 120 22.572 -3.155 1.380 1.00 0.00 N ATOM 1530 CA SER A 120 23.531 -3.925 2.235 1.00 0.00 C ATOM 1531 C SER A 120 24.141 -5.062 1.411 1.00 0.00 C ATOM 1532 O SER A 120 23.843 -5.224 0.244 1.00 0.00 O ATOM 1533 CB SER A 120 22.784 -4.502 3.443 1.00 0.00 C ATOM 1534 OG SER A 120 22.630 -3.490 4.427 1.00 0.00 O ATOM 0 H SER A 120 21.978 -3.726 0.779 1.00 0.00 H new ATOM 0 HA SER A 120 24.325 -3.266 2.585 1.00 0.00 H new ATOM 0 HB2 SER A 120 21.808 -4.878 3.136 1.00 0.00 H new ATOM 0 HB3 SER A 120 23.335 -5.346 3.857 1.00 0.00 H new ATOM 0 HG SER A 120 22.762 -2.611 4.015 1.00 0.00 H new ATOM 1540 N THR A 121 25.001 -5.844 2.015 1.00 0.00 N ATOM 1541 CA THR A 121 25.656 -6.978 1.289 1.00 0.00 C ATOM 1542 C THR A 121 25.474 -8.269 2.092 1.00 0.00 C ATOM 1543 O THR A 121 25.169 -8.246 3.269 1.00 0.00 O ATOM 1544 CB THR A 121 27.150 -6.679 1.141 1.00 0.00 C ATOM 1545 OG1 THR A 121 27.653 -6.173 2.369 1.00 0.00 O ATOM 1546 CG2 THR A 121 27.359 -5.641 0.036 1.00 0.00 C ATOM 0 H THR A 121 25.281 -5.744 2.991 1.00 0.00 H new ATOM 0 HA THR A 121 25.203 -7.096 0.305 1.00 0.00 H new ATOM 0 HB THR A 121 27.680 -7.595 0.880 1.00 0.00 H new ATOM 0 HG1 THR A 121 28.610 -5.982 2.277 1.00 0.00 H new ATOM 0 HG21 THR A 121 28.423 -5.429 -0.068 1.00 0.00 H new ATOM 0 HG22 THR A 121 26.973 -6.030 -0.906 1.00 0.00 H new ATOM 0 HG23 THR A 121 26.830 -4.723 0.294 1.00 0.00 H new ATOM 1554 N LEU A 122 25.650 -9.397 1.463 1.00 0.00 N ATOM 1555 CA LEU A 122 25.477 -10.686 2.196 1.00 0.00 C ATOM 1556 C LEU A 122 26.414 -10.723 3.413 1.00 0.00 C ATOM 1557 O LEU A 122 26.060 -11.233 4.458 1.00 0.00 O ATOM 1558 CB LEU A 122 25.783 -11.867 1.260 1.00 0.00 C ATOM 1559 CG LEU A 122 25.379 -13.196 1.925 1.00 0.00 C ATOM 1560 CD1 LEU A 122 23.846 -13.293 2.059 1.00 0.00 C ATOM 1561 CD2 LEU A 122 25.885 -14.359 1.064 1.00 0.00 C ATOM 0 H LEU A 122 25.905 -9.484 0.479 1.00 0.00 H new ATOM 0 HA LEU A 122 24.445 -10.766 2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 122 25.244 -11.744 0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 122 26.846 -11.882 1.018 1.00 0.00 H new ATOM 0 HG LEU A 122 25.820 -13.241 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 122 23.581 -14.239 2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 122 23.481 -12.468 2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 122 23.390 -13.241 1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 122 25.603 -15.304 1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 122 25.442 -14.296 0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 122 26.970 -14.305 0.981 1.00 0.00 H new ATOM 1573 N SER A 123 27.604 -10.186 3.297 1.00 0.00 N ATOM 1574 CA SER A 123 28.543 -10.197 4.457 1.00 0.00 C ATOM 1575 C SER A 123 27.855 -9.573 5.675 1.00 0.00 C ATOM 1576 O SER A 123 27.909 -10.101 6.767 1.00 0.00 O ATOM 1577 CB SER A 123 29.794 -9.388 4.108 1.00 0.00 C ATOM 1578 OG SER A 123 30.641 -9.314 5.245 1.00 0.00 O ATOM 0 H SER A 123 27.963 -9.742 2.452 1.00 0.00 H new ATOM 0 HA SER A 123 28.827 -11.224 4.686 1.00 0.00 H new ATOM 0 HB2 SER A 123 30.322 -9.855 3.277 1.00 0.00 H new ATOM 0 HB3 SER A 123 29.514 -8.386 3.784 1.00 0.00 H new ATOM 0 HG SER A 123 31.443 -8.797 5.022 1.00 0.00 H new ATOM 1584 N ASP A 124 27.201 -8.458 5.496 1.00 0.00 N ATOM 1585 CA ASP A 124 26.505 -7.812 6.638 1.00 0.00 C ATOM 1586 C ASP A 124 25.543 -8.832 7.260 1.00 0.00 C ATOM 1587 O ASP A 124 25.492 -9.018 8.466 1.00 0.00 O ATOM 1588 CB ASP A 124 25.725 -6.597 6.105 1.00 0.00 C ATOM 1589 CG ASP A 124 26.626 -5.356 6.099 1.00 0.00 C ATOM 1590 OD1 ASP A 124 27.166 -5.035 7.145 1.00 0.00 O ATOM 1591 OD2 ASP A 124 26.759 -4.750 5.048 1.00 0.00 O ATOM 0 H ASP A 124 27.120 -7.968 4.605 1.00 0.00 H new ATOM 0 HA ASP A 124 27.215 -7.481 7.396 1.00 0.00 H new ATOM 0 HB2 ASP A 124 25.365 -6.800 5.096 1.00 0.00 H new ATOM 0 HB3 ASP A 124 24.848 -6.417 6.726 1.00 0.00 H new ATOM 1596 N LEU A 125 24.783 -9.504 6.445 1.00 0.00 N ATOM 1597 CA LEU A 125 23.836 -10.510 6.987 1.00 0.00 C ATOM 1598 C LEU A 125 24.626 -11.568 7.769 1.00 0.00 C ATOM 1599 O LEU A 125 24.202 -12.030 8.806 1.00 0.00 O ATOM 1600 CB LEU A 125 23.057 -11.154 5.823 1.00 0.00 C ATOM 1601 CG LEU A 125 21.659 -11.607 6.288 1.00 0.00 C ATOM 1602 CD1 LEU A 125 20.706 -10.405 6.402 1.00 0.00 C ATOM 1603 CD2 LEU A 125 21.088 -12.592 5.269 1.00 0.00 C ATOM 0 H LEU A 125 24.777 -9.400 5.430 1.00 0.00 H new ATOM 0 HA LEU A 125 23.122 -10.036 7.661 1.00 0.00 H new ATOM 0 HB2 LEU A 125 22.960 -10.440 5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 125 23.612 -12.009 5.436 1.00 0.00 H new ATOM 0 HG LEU A 125 21.753 -12.078 7.266 1.00 0.00 H new ATOM 0 HD11 LEU A 125 19.725 -10.748 6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 125 21.103 -9.693 7.125 1.00 0.00 H new ATOM 0 HD13 LEU A 125 20.613 -9.921 5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 125 20.099 -12.917 5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 125 21.011 -12.106 4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 125 21.746 -13.457 5.191 1.00 0.00 H new ATOM 1615 N ARG A 126 25.781 -11.941 7.285 1.00 0.00 N ATOM 1616 CA ARG A 126 26.608 -12.955 8.010 1.00 0.00 C ATOM 1617 C ARG A 126 26.871 -12.465 9.433 1.00 0.00 C ATOM 1618 O ARG A 126 26.904 -13.239 10.368 1.00 0.00 O ATOM 1619 CB ARG A 126 27.941 -13.136 7.275 1.00 0.00 C ATOM 1620 CG ARG A 126 28.673 -14.369 7.814 1.00 0.00 C ATOM 1621 CD ARG A 126 30.148 -14.308 7.409 1.00 0.00 C ATOM 1622 NE ARG A 126 30.771 -15.648 7.604 1.00 0.00 N ATOM 1623 CZ ARG A 126 31.916 -15.922 7.041 1.00 0.00 C ATOM 1624 NH1 ARG A 126 32.516 -15.024 6.308 1.00 0.00 N ATOM 1625 NH2 ARG A 126 32.462 -17.095 7.211 1.00 0.00 N ATOM 0 H ARG A 126 26.189 -11.589 6.419 1.00 0.00 H new ATOM 0 HA ARG A 126 26.079 -13.907 8.045 1.00 0.00 H new ATOM 0 HB2 ARG A 126 27.764 -13.247 6.205 1.00 0.00 H new ATOM 0 HB3 ARG A 126 28.561 -12.249 7.405 1.00 0.00 H new ATOM 0 HG2 ARG A 126 28.585 -14.411 8.900 1.00 0.00 H new ATOM 0 HG3 ARG A 126 28.215 -15.277 7.422 1.00 0.00 H new ATOM 0 HD2 ARG A 126 30.238 -14.001 6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 126 30.670 -13.561 8.007 1.00 0.00 H new ATOM 0 HE ARG A 126 30.303 -16.350 8.177 1.00 0.00 H new ATOM 0 HH11 ARG A 126 32.090 -14.107 6.175 1.00 0.00 H new ATOM 0 HH12 ARG A 126 33.411 -15.239 5.869 1.00 0.00 H new ATOM 0 HH21 ARG A 126 31.994 -17.797 7.784 1.00 0.00 H new ATOM 0 HH22 ARG A 126 33.357 -17.310 6.771 1.00 0.00 H new ATOM 1639 N VAL A 127 27.044 -11.184 9.611 1.00 0.00 N ATOM 1640 CA VAL A 127 27.287 -10.661 10.982 1.00 0.00 C ATOM 1641 C VAL A 127 26.093 -11.039 11.859 1.00 0.00 C ATOM 1642 O VAL A 127 26.230 -11.290 13.039 1.00 0.00 O ATOM 1643 CB VAL A 127 27.435 -9.139 10.945 1.00 0.00 C ATOM 1644 CG1 VAL A 127 27.661 -8.619 12.365 1.00 0.00 C ATOM 1645 CG2 VAL A 127 28.637 -8.764 10.076 1.00 0.00 C ATOM 0 H VAL A 127 27.028 -10.482 8.871 1.00 0.00 H new ATOM 0 HA VAL A 127 28.204 -11.090 11.385 1.00 0.00 H new ATOM 0 HB VAL A 127 26.530 -8.696 10.529 1.00 0.00 H new ATOM 0 HG11 VAL A 127 27.767 -7.534 12.343 1.00 0.00 H new ATOM 0 HG12 VAL A 127 26.810 -8.888 12.991 1.00 0.00 H new ATOM 0 HG13 VAL A 127 28.568 -9.064 12.775 1.00 0.00 H new ATOM 0 HG21 VAL A 127 28.743 -7.679 10.050 1.00 0.00 H new ATOM 0 HG22 VAL A 127 29.541 -9.206 10.495 1.00 0.00 H new ATOM 0 HG23 VAL A 127 28.485 -9.139 9.064 1.00 0.00 H new ATOM 1655 N TYR A 128 24.913 -11.078 11.286 1.00 0.00 N ATOM 1656 CA TYR A 128 23.700 -11.438 12.092 1.00 0.00 C ATOM 1657 C TYR A 128 23.451 -12.950 12.058 1.00 0.00 C ATOM 1658 O TYR A 128 23.213 -13.571 13.075 1.00 0.00 O ATOM 1659 CB TYR A 128 22.464 -10.752 11.507 1.00 0.00 C ATOM 1660 CG TYR A 128 22.553 -9.259 11.685 1.00 0.00 C ATOM 1661 CD1 TYR A 128 22.141 -8.669 12.885 1.00 0.00 C ATOM 1662 CD2 TYR A 128 23.030 -8.462 10.641 1.00 0.00 C ATOM 1663 CE1 TYR A 128 22.208 -7.281 13.041 1.00 0.00 C ATOM 1664 CE2 TYR A 128 23.099 -7.074 10.796 1.00 0.00 C ATOM 1665 CZ TYR A 128 22.688 -6.482 11.996 1.00 0.00 C ATOM 1666 OH TYR A 128 22.754 -5.112 12.148 1.00 0.00 O ATOM 0 H TYR A 128 24.737 -10.878 10.302 1.00 0.00 H new ATOM 0 HA TYR A 128 23.876 -11.113 13.118 1.00 0.00 H new ATOM 0 HB2 TYR A 128 22.375 -10.993 10.448 1.00 0.00 H new ATOM 0 HB3 TYR A 128 21.566 -11.129 11.996 1.00 0.00 H new ATOM 0 HD1 TYR A 128 21.771 -9.286 13.691 1.00 0.00 H new ATOM 0 HD2 TYR A 128 23.345 -8.918 9.714 1.00 0.00 H new ATOM 0 HE1 TYR A 128 21.890 -6.825 13.967 1.00 0.00 H new ATOM 0 HE2 TYR A 128 23.470 -6.459 9.990 1.00 0.00 H new ATOM 0 HH TYR A 128 23.111 -4.709 11.329 1.00 0.00 H new ATOM 1676 N LEU A 129 23.467 -13.536 10.888 1.00 0.00 N ATOM 1677 CA LEU A 129 23.193 -14.998 10.748 1.00 0.00 C ATOM 1678 C LEU A 129 24.427 -15.719 10.218 1.00 0.00 C ATOM 1679 O LEU A 129 24.331 -16.545 9.337 1.00 0.00 O ATOM 1680 CB LEU A 129 22.076 -15.182 9.728 1.00 0.00 C ATOM 1681 CG LEU A 129 20.791 -14.470 10.173 1.00 0.00 C ATOM 1682 CD1 LEU A 129 19.676 -14.799 9.170 1.00 0.00 C ATOM 1683 CD2 LEU A 129 20.376 -14.926 11.582 1.00 0.00 C ATOM 0 H LEU A 129 23.662 -13.055 10.010 1.00 0.00 H new ATOM 0 HA LEU A 129 22.919 -15.404 11.722 1.00 0.00 H new ATOM 0 HB2 LEU A 129 22.395 -14.791 8.762 1.00 0.00 H new ATOM 0 HB3 LEU A 129 21.877 -16.245 9.592 1.00 0.00 H new ATOM 0 HG LEU A 129 20.966 -13.395 10.203 1.00 0.00 H new ATOM 0 HD11 LEU A 129 18.755 -14.300 9.473 1.00 0.00 H new ATOM 0 HD12 LEU A 129 19.966 -14.454 8.177 1.00 0.00 H new ATOM 0 HD13 LEU A 129 19.514 -15.877 9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 129 19.463 -14.409 11.878 1.00 0.00 H new ATOM 0 HD22 LEU A 129 20.199 -16.002 11.579 1.00 0.00 H new ATOM 0 HD23 LEU A 129 21.171 -14.691 12.289 1.00 0.00 H new ATOM 1695 N GLY A 130 25.577 -15.415 10.730 1.00 0.00 N ATOM 1696 CA GLY A 130 26.811 -16.088 10.239 1.00 0.00 C ATOM 1697 C GLY A 130 26.766 -17.592 10.559 1.00 0.00 C ATOM 1698 O GLY A 130 27.767 -18.182 10.915 1.00 0.00 O ATOM 0 H GLY A 130 25.722 -14.728 11.470 1.00 0.00 H new ATOM 0 HA2 GLY A 130 26.909 -15.942 9.163 1.00 0.00 H new ATOM 0 HA3 GLY A 130 27.688 -15.637 10.703 1.00 0.00 H new ATOM 1702 N ALA A 131 25.622 -18.223 10.432 1.00 0.00 N ATOM 1703 CA ALA A 131 25.540 -19.685 10.725 1.00 0.00 C ATOM 1704 C ALA A 131 24.394 -20.309 9.917 1.00 0.00 C ATOM 1705 O ALA A 131 24.603 -21.210 9.128 1.00 0.00 O ATOM 1706 CB ALA A 131 25.301 -19.895 12.226 1.00 0.00 C ATOM 0 H ALA A 131 24.747 -17.789 10.139 1.00 0.00 H new ATOM 0 HA ALA A 131 26.476 -20.166 10.443 1.00 0.00 H new ATOM 0 HB1 ALA A 131 25.241 -20.962 12.439 1.00 0.00 H new ATOM 0 HB2 ALA A 131 26.125 -19.458 12.790 1.00 0.00 H new ATOM 0 HB3 ALA A 131 24.367 -19.414 12.516 1.00 0.00 H new ATOM 1712 N SER A 132 23.184 -19.840 10.101 1.00 0.00 N ATOM 1713 CA SER A 132 22.027 -20.407 9.339 1.00 0.00 C ATOM 1714 C SER A 132 21.717 -19.502 8.146 1.00 0.00 C ATOM 1715 O SER A 132 20.574 -19.299 7.787 1.00 0.00 O ATOM 1716 CB SER A 132 20.803 -20.474 10.255 1.00 0.00 C ATOM 1717 OG SER A 132 21.140 -21.168 11.447 1.00 0.00 O ATOM 0 H SER A 132 22.947 -19.087 10.747 1.00 0.00 H new ATOM 0 HA SER A 132 22.275 -21.408 8.985 1.00 0.00 H new ATOM 0 HB2 SER A 132 20.458 -19.468 10.493 1.00 0.00 H new ATOM 0 HB3 SER A 132 19.982 -20.980 9.747 1.00 0.00 H new ATOM 0 HG SER A 132 20.356 -21.209 12.034 1.00 0.00 H new ATOM 1723 N THR A 133 22.727 -18.945 7.538 1.00 0.00 N ATOM 1724 CA THR A 133 22.497 -18.039 6.377 1.00 0.00 C ATOM 1725 C THR A 133 22.083 -18.867 5.133 1.00 0.00 C ATOM 1726 O THR A 133 22.845 -19.695 4.675 1.00 0.00 O ATOM 1727 CB THR A 133 23.813 -17.279 6.074 1.00 0.00 C ATOM 1728 OG1 THR A 133 24.680 -17.388 7.191 1.00 0.00 O ATOM 1729 CG2 THR A 133 23.531 -15.797 5.796 1.00 0.00 C ATOM 0 H THR A 133 23.705 -19.078 7.796 1.00 0.00 H new ATOM 0 HA THR A 133 21.700 -17.334 6.614 1.00 0.00 H new ATOM 0 HB THR A 133 24.277 -17.718 5.191 1.00 0.00 H new ATOM 0 HG1 THR A 133 24.204 -17.113 8.002 1.00 0.00 H new ATOM 0 HG21 THR A 133 24.468 -15.282 5.586 1.00 0.00 H new ATOM 0 HG22 THR A 133 22.867 -15.708 4.936 1.00 0.00 H new ATOM 0 HG23 THR A 133 23.057 -15.347 6.668 1.00 0.00 H new ATOM 1737 N PRO A 134 20.912 -18.643 4.566 1.00 0.00 N ATOM 1738 CA PRO A 134 20.470 -19.383 3.349 1.00 0.00 C ATOM 1739 C PRO A 134 21.116 -18.812 2.080 1.00 0.00 C ATOM 1740 O PRO A 134 21.972 -17.953 2.144 1.00 0.00 O ATOM 1741 CB PRO A 134 18.951 -19.177 3.339 1.00 0.00 C ATOM 1742 CG PRO A 134 18.744 -17.846 3.989 1.00 0.00 C ATOM 1743 CD PRO A 134 19.883 -17.680 5.007 1.00 0.00 C ATOM 0 HA PRO A 134 20.757 -20.434 3.367 1.00 0.00 H new ATOM 0 HB2 PRO A 134 18.557 -19.187 2.323 1.00 0.00 H new ATOM 0 HB3 PRO A 134 18.440 -19.969 3.887 1.00 0.00 H new ATOM 0 HG2 PRO A 134 18.764 -17.045 3.250 1.00 0.00 H new ATOM 0 HG3 PRO A 134 17.773 -17.801 4.482 1.00 0.00 H new ATOM 0 HD2 PRO A 134 20.268 -16.660 5.010 1.00 0.00 H new ATOM 0 HD3 PRO A 134 19.545 -17.896 6.021 1.00 0.00 H new ATOM 1751 N ASP A 135 20.710 -19.288 0.933 1.00 0.00 N ATOM 1752 CA ASP A 135 21.283 -18.793 -0.355 1.00 0.00 C ATOM 1753 C ASP A 135 20.226 -17.963 -1.082 1.00 0.00 C ATOM 1754 O ASP A 135 19.143 -18.430 -1.373 1.00 0.00 O ATOM 1755 CB ASP A 135 21.673 -19.992 -1.222 1.00 0.00 C ATOM 1756 CG ASP A 135 22.571 -19.525 -2.369 1.00 0.00 C ATOM 1757 OD1 ASP A 135 22.753 -18.326 -2.503 1.00 0.00 O ATOM 1758 OD2 ASP A 135 23.062 -20.374 -3.094 1.00 0.00 O ATOM 0 H ASP A 135 19.996 -20.009 0.832 1.00 0.00 H new ATOM 0 HA ASP A 135 22.163 -18.180 -0.162 1.00 0.00 H new ATOM 0 HB2 ASP A 135 22.194 -20.736 -0.619 1.00 0.00 H new ATOM 0 HB3 ASP A 135 20.779 -20.473 -1.619 1.00 0.00 H new ATOM 1763 N LEU A 136 20.532 -16.733 -1.364 1.00 0.00 N ATOM 1764 CA LEU A 136 19.548 -15.855 -2.061 1.00 0.00 C ATOM 1765 C LEU A 136 19.556 -16.137 -3.565 1.00 0.00 C ATOM 1766 O LEU A 136 20.595 -16.278 -4.179 1.00 0.00 O ATOM 1767 CB LEU A 136 19.917 -14.392 -1.823 1.00 0.00 C ATOM 1768 CG LEU A 136 19.874 -14.072 -0.325 1.00 0.00 C ATOM 1769 CD1 LEU A 136 20.326 -12.623 -0.118 1.00 0.00 C ATOM 1770 CD2 LEU A 136 18.445 -14.252 0.214 1.00 0.00 C ATOM 0 H LEU A 136 21.424 -16.292 -1.143 1.00 0.00 H new ATOM 0 HA LEU A 136 18.553 -16.058 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 136 20.914 -14.192 -2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 136 19.226 -13.743 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 136 20.537 -14.750 0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 136 20.300 -12.382 0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 136 21.342 -12.502 -0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 136 19.658 -11.953 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 136 18.426 -14.022 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 136 17.769 -13.579 -0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 136 18.125 -15.282 0.060 1.00 0.00 H new ATOM 1782 N GLN A 137 18.390 -16.212 -4.156 1.00 0.00 N ATOM 1783 CA GLN A 137 18.278 -16.479 -5.624 1.00 0.00 C ATOM 1784 C GLN A 137 17.371 -15.422 -6.261 1.00 0.00 C ATOM 1785 O GLN A 137 17.685 -14.249 -6.138 1.00 0.00 O ATOM 1786 CB GLN A 137 17.669 -17.868 -5.834 1.00 0.00 C ATOM 1787 CG GLN A 137 18.299 -18.857 -4.852 1.00 0.00 C ATOM 1788 CD GLN A 137 19.824 -18.824 -5.003 1.00 0.00 C ATOM 1789 OE1 GLN A 137 20.336 -18.933 -6.099 1.00 0.00 O ATOM 1790 NE2 GLN A 137 20.578 -18.678 -3.945 1.00 0.00 N ATOM 1791 OXT GLN A 137 16.380 -15.803 -6.860 1.00 0.00 O ATOM 0 H GLN A 137 17.497 -16.098 -3.676 1.00 0.00 H new ATOM 0 HA GLN A 137 19.265 -16.437 -6.085 1.00 0.00 H new ATOM 0 HB2 GLN A 137 16.590 -17.830 -5.685 1.00 0.00 H new ATOM 0 HB3 GLN A 137 17.838 -18.199 -6.859 1.00 0.00 H new ATOM 0 HG2 GLN A 137 18.018 -18.601 -3.830 1.00 0.00 H new ATOM 0 HG3 GLN A 137 17.925 -19.863 -5.042 1.00 0.00 H new ATOM 0 HE21 GLN A 137 20.151 -18.586 -3.023 1.00 0.00 H new ATOM 0 HE22 GLN A 137 21.593 -18.656 -4.041 1.00 0.00 H new TER 1800 GLN A 137 HETATM 1801 MG MG A 2 17.506 -0.890 24.148 1.00 0.00 MG HETATM 1802 PG ATP A 1 11.994 -3.361 19.449 1.00 0.00 P HETATM 1803 O1G ATP A 1 11.630 -4.470 20.388 1.00 0.00 O HETATM 1804 O2G ATP A 1 10.829 -2.541 19.006 1.00 0.00 O HETATM 1805 O3G ATP A 1 12.977 -3.762 18.384 1.00 0.00 O HETATM 1806 PB ATP A 1 13.301 -0.768 21.366 1.00 0.00 P HETATM 1807 O1B ATP A 1 12.142 -0.334 22.202 1.00 0.00 O HETATM 1808 O2B ATP A 1 14.541 -1.005 22.171 1.00 0.00 O HETATM 1809 O3B ATP A 1 12.983 -2.270 20.584 1.00 0.00 O HETATM 1810 PA ATP A 1 13.169 1.277 18.923 1.00 0.00 P HETATM 1811 O1A ATP A 1 13.637 0.538 17.738 1.00 0.00 O HETATM 1812 O2A ATP A 1 13.600 2.688 18.986 1.00 0.00 O HETATM 1813 O3A ATP A 1 13.735 0.520 20.325 1.00 0.00 O HETATM 1814 O5' ATP A 1 11.485 1.269 18.817 1.00 0.00 O HETATM 1815 C5' ATP A 1 10.637 1.898 19.771 1.00 0.00 C HETATM 1816 C4' ATP A 1 10.759 3.439 19.795 1.00 0.00 C HETATM 1817 O4' ATP A 1 9.468 4.008 19.988 1.00 0.00 O HETATM 1818 C3' ATP A 1 11.647 4.024 20.925 1.00 0.00 C HETATM 1819 O3' ATP A 1 12.779 4.685 20.363 1.00 0.00 O HETATM 1820 C2' ATP A 1 10.756 5.025 21.666 1.00 0.00 C HETATM 1821 O2' ATP A 1 11.524 6.190 21.910 1.00 0.00 O HETATM 1822 C1' ATP A 1 9.610 5.246 20.668 1.00 0.00 C HETATM 1823 N9 ATP A 1 8.324 5.685 21.272 1.00 0.00 N HETATM 1824 C8 ATP A 1 7.608 6.828 20.983 1.00 0.00 C HETATM 1825 N7 ATP A 1 6.455 6.934 21.593 1.00 0.00 N HETATM 1826 C5 ATP A 1 6.405 5.807 22.403 1.00 0.00 C HETATM 1827 C6 ATP A 1 5.466 5.298 23.335 1.00 0.00 C HETATM 1828 N6 ATP A 1 4.288 5.877 23.581 1.00 0.00 N HETATM 1829 N1 ATP A 1 5.777 4.180 24.026 1.00 0.00 N HETATM 1830 C2 ATP A 1 6.947 3.571 23.800 1.00 0.00 C HETATM 1831 N3 ATP A 1 7.899 3.894 22.920 1.00 0.00 N HETATM 1832 C4 ATP A 1 7.588 5.036 22.241 1.00 0.00 C HETATM 0 HO3' ATP A 1 13.416 4.018 20.031 1.00 0.00 H new HETATM 0 HO2' ATP A 1 12.204 6.286 21.210 1.00 0.00 H new HETATM 0 HN62 ATP A 1 3.650 5.466 24.263 1.00 0.00 H new HETATM 0 HN61 ATP A 1 4.026 6.730 23.087 1.00 0.00 H new HETATM 0 H5'2 ATP A 1 9.603 1.628 19.557 1.00 0.00 H new HETATM 0 H5'1 ATP A 1 10.870 1.509 20.762 1.00 0.00 H new HETATM 0 H8 ATP A 1 7.976 7.589 20.295 1.00 0.00 H new HETATM 0 H4' ATP A 1 11.224 3.687 18.841 1.00 0.00 H new HETATM 0 H3' ATP A 1 12.024 3.250 21.593 1.00 0.00 H new HETATM 0 H2' ATP A 1 10.375 4.709 22.637 1.00 0.00 H new HETATM 0 H2 ATP A 1 7.150 2.695 24.416 1.00 0.00 H new HETATM 0 H1' ATP A 1 9.861 6.074 20.005 1.00 0.00 H new