USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 THR OG1 : rot -30:sc= 2.1 USER MOD Set 1.2: A 74 GLN : amide:sc= 1.56 K(o=4.4,f=0.52!) USER MOD Set 1.3: A 76 SER OG : rot 156:sc= 0.779 USER MOD Set 2.1: A 37 ASN : amide:sc= 0.807 K(o=2.4,f=1.3) USER MOD Set 2.2: A 42 THR OG1 : rot -75:sc= 1.61 USER MOD Set 3.1: A 17 CYS SG : rot 95:sc= 1.25 USER MOD Set 3.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 VAL N :NH3+ -163:sc= -0.0192 (180deg=-0.396) USER MOD Single : A 2 THR OG1 : rot 136:sc= 1.33 USER MOD Single : A 4 LYS NZ :NH3+ -148:sc= -0.0318 (180deg=-1.2) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 14 CYS SG : rot 54:sc= -2.25 USER MOD Single : A 19 ASN : amide:sc= -0.0192 X(o=-0.019,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -179:sc= 2.27 (180deg=2.26) USER MOD Single : A 26 ASN : amide:sc= -0.33 K(o=-0.33,f=-1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.01 K(o=1,f=-0.23) USER MOD Single : A 47 TYR OH : rot 80:sc= -0.351 USER MOD Single : A 48 ASN : amide:sc= -0.2 K(o=-0.2,f=-1.1) USER MOD Single : A 50 LYS NZ :NH3+ -162:sc= 0.332 (180deg=-1.43!) USER MOD Single : A 53 SER OG : rot 180:sc= 0.429 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 164:sc= 0.0814 (180deg=-0.502) USER MOD Single : A 63 LYS NZ :NH3+ 138:sc= 1.13 (180deg=0.871) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.06) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -9.550 13.143 8.915 1.00 10.00 N ATOM 2 CA VAL A 1 -9.013 12.015 9.688 1.00 10.00 C ATOM 3 C VAL A 1 -8.006 11.296 8.795 1.00 10.00 C ATOM 4 O VAL A 1 -6.828 11.635 8.827 1.00 10.00 O ATOM 5 CB VAL A 1 -10.134 11.101 10.227 1.00 10.00 C ATOM 6 CG1 VAL A 1 -9.555 9.947 11.052 1.00 10.00 C ATOM 7 CG2 VAL A 1 -11.105 11.878 11.122 1.00 10.00 C ATOM 0 H1 VAL A 1 -10.009 13.818 9.559 1.00 10.00 H new ATOM 0 H2 VAL A 1 -8.775 13.619 8.411 1.00 10.00 H new ATOM 0 H3 VAL A 1 -10.247 12.792 8.227 1.00 10.00 H new ATOM 0 HA VAL A 1 -8.504 12.363 10.587 1.00 10.00 H new ATOM 0 HB VAL A 1 -10.663 10.712 9.357 1.00 10.00 H new ATOM 0 HG11 VAL A 1 -10.367 9.319 11.419 1.00 10.00 H new ATOM 0 HG12 VAL A 1 -8.890 9.351 10.427 1.00 10.00 H new ATOM 0 HG13 VAL A 1 -8.996 10.349 11.897 1.00 10.00 H new ATOM 0 HG21 VAL A 1 -11.882 11.206 11.485 1.00 10.00 H new ATOM 0 HG22 VAL A 1 -10.563 12.297 11.970 1.00 10.00 H new ATOM 0 HG23 VAL A 1 -11.562 12.685 10.549 1.00 10.00 H new ATOM 19 N THR A 2 -8.480 10.375 7.959 1.00 10.00 N ATOM 20 CA THR A 2 -7.683 9.655 6.982 1.00 10.00 C ATOM 21 C THR A 2 -7.785 10.309 5.600 1.00 10.00 C ATOM 22 O THR A 2 -8.596 11.213 5.392 1.00 10.00 O ATOM 23 CB THR A 2 -8.205 8.216 6.966 1.00 10.00 C ATOM 24 OG1 THR A 2 -9.623 8.230 7.025 1.00 10.00 O ATOM 25 CG2 THR A 2 -7.668 7.468 8.187 1.00 10.00 C ATOM 0 H THR A 2 -9.463 10.104 7.947 1.00 10.00 H new ATOM 0 HA THR A 2 -6.626 9.674 7.247 1.00 10.00 H new ATOM 0 HB THR A 2 -7.875 7.721 6.053 1.00 10.00 H new ATOM 0 HG1 THR A 2 -9.984 7.592 6.375 1.00 10.00 H new ATOM 0 HG21 THR A 2 -8.039 6.443 8.178 1.00 10.00 H new ATOM 0 HG22 THR A 2 -6.578 7.460 8.159 1.00 10.00 H new ATOM 0 HG23 THR A 2 -8.004 7.967 9.096 1.00 10.00 H new ATOM 33 N GLU A 3 -6.946 9.829 4.681 1.00 10.00 N ATOM 34 CA GLU A 3 -6.805 10.227 3.293 1.00 10.00 C ATOM 35 C GLU A 3 -6.674 8.960 2.456 1.00 10.00 C ATOM 36 O GLU A 3 -6.168 7.955 2.959 1.00 10.00 O ATOM 37 CB GLU A 3 -5.527 11.060 3.157 1.00 10.00 C ATOM 38 CG GLU A 3 -5.879 12.540 3.240 1.00 10.00 C ATOM 39 CD GLU A 3 -4.684 13.372 3.680 1.00 10.00 C ATOM 40 OE1 GLU A 3 -3.688 13.373 2.927 1.00 10.00 O ATOM 41 OE2 GLU A 3 -4.770 13.951 4.785 1.00 10.00 O ATOM 0 H GLU A 3 -6.291 9.084 4.919 1.00 10.00 H new ATOM 0 HA GLU A 3 -7.663 10.812 2.961 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -4.822 10.797 3.946 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -5.038 10.844 2.207 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -6.228 12.887 2.267 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -6.701 12.681 3.942 1.00 10.00 H new ATOM 48 N LYS A 4 -7.106 9.021 1.191 1.00 10.00 N ATOM 49 CA LYS A 4 -6.970 7.932 0.245 1.00 10.00 C ATOM 50 C LYS A 4 -5.732 8.179 -0.599 1.00 10.00 C ATOM 51 O LYS A 4 -5.678 9.154 -1.333 1.00 10.00 O ATOM 52 CB LYS A 4 -8.202 7.836 -0.667 1.00 10.00 C ATOM 53 CG LYS A 4 -9.325 6.968 -0.091 1.00 10.00 C ATOM 54 CD LYS A 4 -8.863 5.520 0.136 1.00 10.00 C ATOM 55 CE LYS A 4 -10.069 4.576 0.260 1.00 10.00 C ATOM 56 NZ LYS A 4 -9.805 3.446 1.176 1.00 10.00 N ATOM 0 H LYS A 4 -7.565 9.844 0.800 1.00 10.00 H new ATOM 0 HA LYS A 4 -6.881 6.994 0.792 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -8.587 8.839 -0.850 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -7.899 7.430 -1.632 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -9.666 7.393 0.853 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -10.177 6.976 -0.771 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -8.230 5.201 -0.692 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -8.257 5.464 1.040 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -10.932 5.137 0.618 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -10.328 4.189 -0.726 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -10.330 2.608 0.854 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -8.787 3.235 1.183 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -10.112 3.699 2.137 1.00 10.00 H new ATOM 70 N ALA A 5 -4.766 7.271 -0.517 1.00 10.00 N ATOM 71 CA ALA A 5 -3.582 7.256 -1.363 1.00 10.00 C ATOM 72 C ALA A 5 -3.608 6.020 -2.268 1.00 10.00 C ATOM 73 O ALA A 5 -3.966 4.936 -1.807 1.00 10.00 O ATOM 74 CB ALA A 5 -2.349 7.278 -0.463 1.00 10.00 C ATOM 0 H ALA A 5 -4.787 6.506 0.157 1.00 10.00 H new ATOM 0 HA ALA A 5 -3.556 8.131 -2.012 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -1.449 7.267 -1.078 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -2.360 8.181 0.148 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.356 6.402 0.185 1.00 10.00 H new ATOM 80 N GLU A 6 -3.231 6.176 -3.543 1.00 10.00 N ATOM 81 CA GLU A 6 -3.098 5.092 -4.503 1.00 10.00 C ATOM 82 C GLU A 6 -1.652 4.922 -4.902 1.00 10.00 C ATOM 83 O GLU A 6 -0.939 5.913 -5.077 1.00 10.00 O ATOM 84 CB GLU A 6 -3.844 5.417 -5.787 1.00 10.00 C ATOM 85 CG GLU A 6 -5.233 4.815 -5.769 1.00 10.00 C ATOM 86 CD GLU A 6 -5.292 3.519 -6.569 1.00 10.00 C ATOM 87 OE1 GLU A 6 -5.212 3.615 -7.815 1.00 10.00 O ATOM 88 OE2 GLU A 6 -5.393 2.454 -5.929 1.00 10.00 O ATOM 0 H GLU A 6 -3.005 7.089 -3.939 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.496 4.195 -4.028 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -3.913 6.498 -5.909 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.288 5.034 -6.643 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.533 4.622 -4.739 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -5.946 5.530 -6.180 1.00 10.00 H new ATOM 95 N PHE A 7 -1.287 3.666 -5.145 1.00 10.00 N ATOM 96 CA PHE A 7 0.063 3.267 -5.482 1.00 10.00 C ATOM 97 C PHE A 7 0.037 2.209 -6.583 1.00 10.00 C ATOM 98 O PHE A 7 -0.849 1.349 -6.598 1.00 10.00 O ATOM 99 CB PHE A 7 0.815 2.760 -4.242 1.00 10.00 C ATOM 100 CG PHE A 7 0.651 3.566 -2.978 1.00 10.00 C ATOM 101 CD1 PHE A 7 -0.553 3.466 -2.270 1.00 10.00 C ATOM 102 CD2 PHE A 7 1.710 4.325 -2.452 1.00 10.00 C ATOM 103 CE1 PHE A 7 -0.777 4.278 -1.153 1.00 10.00 C ATOM 104 CE2 PHE A 7 1.518 5.070 -1.276 1.00 10.00 C ATOM 105 CZ PHE A 7 0.262 5.069 -0.643 1.00 10.00 C ATOM 0 H PHE A 7 -1.942 2.885 -5.110 1.00 10.00 H new ATOM 0 HA PHE A 7 0.600 4.139 -5.854 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.490 1.739 -4.040 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.877 2.715 -4.482 1.00 10.00 H new ATOM 0 HD1 PHE A 7 -1.309 2.762 -2.586 1.00 10.00 H new ATOM 0 HD2 PHE A 7 2.668 4.336 -2.950 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -1.750 4.295 -0.684 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.333 5.642 -0.859 1.00 10.00 H new ATOM 0 HZ PHE A 7 0.098 5.677 0.235 1.00 10.00 H new ATOM 115 N ASP A 8 1.010 2.297 -7.492 1.00 10.00 N ATOM 116 CA ASP A 8 1.132 1.484 -8.691 1.00 10.00 C ATOM 117 C ASP A 8 2.215 0.431 -8.458 1.00 10.00 C ATOM 118 O ASP A 8 3.238 0.747 -7.841 1.00 10.00 O ATOM 119 CB ASP A 8 1.500 2.408 -9.853 1.00 10.00 C ATOM 120 CG ASP A 8 1.620 1.635 -11.155 1.00 10.00 C ATOM 121 OD1 ASP A 8 0.768 0.745 -11.354 1.00 10.00 O ATOM 122 OD2 ASP A 8 2.545 1.967 -11.925 1.00 10.00 O ATOM 0 H ASP A 8 1.769 2.972 -7.402 1.00 10.00 H new ATOM 0 HA ASP A 8 0.199 0.972 -8.926 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.742 3.185 -9.957 1.00 10.00 H new ATOM 0 HB3 ASP A 8 2.443 2.910 -9.637 1.00 10.00 H new ATOM 127 N ILE A 9 1.944 -0.828 -8.826 1.00 10.00 N ATOM 128 CA ILE A 9 2.693 -1.984 -8.360 1.00 10.00 C ATOM 129 C ILE A 9 3.527 -2.570 -9.494 1.00 10.00 C ATOM 130 O ILE A 9 2.983 -2.937 -10.532 1.00 10.00 O ATOM 131 CB ILE A 9 1.731 -3.055 -7.807 1.00 10.00 C ATOM 132 CG1 ILE A 9 0.480 -2.506 -7.118 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.471 -3.937 -6.805 1.00 10.00 C ATOM 134 CD1 ILE A 9 0.798 -1.507 -6.009 1.00 10.00 C ATOM 0 H ILE A 9 1.186 -1.067 -9.465 1.00 10.00 H new ATOM 0 HA ILE A 9 3.362 -1.663 -7.562 1.00 10.00 H new ATOM 0 HB ILE A 9 1.391 -3.610 -8.681 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.155 -2.025 -7.861 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -0.091 -3.335 -6.700 1.00 10.00 H new ATOM 0 HG21 ILE A 9 1.791 -4.694 -6.414 1.00 10.00 H new ATOM 0 HG22 ILE A 9 3.311 -4.425 -7.300 1.00 10.00 H new ATOM 0 HG23 ILE A 9 2.841 -3.323 -5.984 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -0.130 -1.154 -5.560 1.00 10.00 H new ATOM 0 HD12 ILE A 9 1.409 -1.991 -5.247 1.00 10.00 H new ATOM 0 HD13 ILE A 9 1.343 -0.661 -6.427 1.00 10.00 H new ATOM 146 N GLU A 10 4.834 -2.707 -9.272 1.00 10.00 N ATOM 147 CA GLU A 10 5.738 -3.380 -10.188 1.00 10.00 C ATOM 148 C GLU A 10 6.366 -4.574 -9.461 1.00 10.00 C ATOM 149 O GLU A 10 7.217 -4.396 -8.587 1.00 10.00 O ATOM 150 CB GLU A 10 6.796 -2.375 -10.658 1.00 10.00 C ATOM 151 CG GLU A 10 6.456 -1.678 -11.985 1.00 10.00 C ATOM 152 CD GLU A 10 7.265 -2.263 -13.138 1.00 10.00 C ATOM 153 OE1 GLU A 10 8.512 -2.202 -13.031 1.00 10.00 O ATOM 154 OE2 GLU A 10 6.639 -2.786 -14.083 1.00 10.00 O ATOM 0 H GLU A 10 5.296 -2.346 -8.437 1.00 10.00 H new ATOM 0 HA GLU A 10 5.213 -3.754 -11.067 1.00 10.00 H new ATOM 0 HB2 GLU A 10 6.930 -1.617 -9.886 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.750 -2.892 -10.766 1.00 10.00 H new ATOM 0 HG2 GLU A 10 5.391 -1.785 -12.193 1.00 10.00 H new ATOM 0 HG3 GLU A 10 6.658 -0.610 -11.900 1.00 10.00 H new ATOM 161 N GLY A 11 5.967 -5.795 -9.831 1.00 10.00 N ATOM 162 CA GLY A 11 6.619 -7.016 -9.381 1.00 10.00 C ATOM 163 C GLY A 11 5.632 -8.170 -9.277 1.00 10.00 C ATOM 164 O GLY A 11 5.489 -8.950 -10.213 1.00 10.00 O ATOM 0 H GLY A 11 5.177 -5.959 -10.455 1.00 10.00 H new ATOM 0 HA2 GLY A 11 7.417 -7.280 -10.074 1.00 10.00 H new ATOM 0 HA3 GLY A 11 7.084 -6.845 -8.410 1.00 10.00 H new ATOM 168 N MET A 12 4.975 -8.297 -8.123 1.00 10.00 N ATOM 169 CA MET A 12 3.985 -9.328 -7.897 1.00 10.00 C ATOM 170 C MET A 12 2.654 -8.914 -8.496 1.00 10.00 C ATOM 171 O MET A 12 2.401 -7.728 -8.681 1.00 10.00 O ATOM 172 CB MET A 12 3.841 -9.520 -6.391 1.00 10.00 C ATOM 173 CG MET A 12 4.686 -10.698 -5.917 1.00 10.00 C ATOM 174 SD MET A 12 3.827 -12.292 -6.029 1.00 10.00 S ATOM 175 CE MET A 12 5.107 -13.402 -5.409 1.00 10.00 C ATOM 0 H MET A 12 5.121 -7.682 -7.323 1.00 10.00 H new ATOM 0 HA MET A 12 4.297 -10.259 -8.370 1.00 10.00 H new ATOM 0 HB2 MET A 12 4.149 -8.612 -5.872 1.00 10.00 H new ATOM 0 HB3 MET A 12 2.794 -9.691 -6.139 1.00 10.00 H new ATOM 0 HG2 MET A 12 5.599 -10.743 -6.511 1.00 10.00 H new ATOM 0 HG3 MET A 12 4.986 -10.527 -4.883 1.00 10.00 H new ATOM 0 HE1 MET A 12 4.734 -14.426 -5.414 1.00 10.00 H new ATOM 0 HE2 MET A 12 5.988 -13.333 -6.047 1.00 10.00 H new ATOM 0 HE3 MET A 12 5.373 -13.118 -4.391 1.00 10.00 H new ATOM 185 N THR A 13 1.805 -9.917 -8.724 1.00 10.00 N ATOM 186 CA THR A 13 0.486 -9.813 -9.267 1.00 10.00 C ATOM 187 C THR A 13 -0.372 -8.923 -8.363 1.00 10.00 C ATOM 188 O THR A 13 -0.422 -7.718 -8.569 1.00 10.00 O ATOM 189 CB THR A 13 0.004 -11.274 -9.421 1.00 10.00 C ATOM 190 OG1 THR A 13 1.108 -12.105 -9.745 1.00 10.00 O ATOM 191 CG2 THR A 13 -1.037 -11.396 -10.516 1.00 10.00 C ATOM 0 H THR A 13 2.056 -10.883 -8.513 1.00 10.00 H new ATOM 0 HA THR A 13 0.430 -9.325 -10.240 1.00 10.00 H new ATOM 0 HB THR A 13 -0.443 -11.584 -8.476 1.00 10.00 H new ATOM 0 HG1 THR A 13 0.803 -13.031 -9.841 1.00 10.00 H new ATOM 0 HG21 THR A 13 -1.356 -12.435 -10.600 1.00 10.00 H new ATOM 0 HG22 THR A 13 -1.896 -10.771 -10.273 1.00 10.00 H new ATOM 0 HG23 THR A 13 -0.608 -11.070 -11.464 1.00 10.00 H new ATOM 199 N CYS A 14 -1.031 -9.498 -7.346 1.00 10.00 N ATOM 200 CA CYS A 14 -2.189 -8.926 -6.669 1.00 10.00 C ATOM 201 C CYS A 14 -3.105 -10.074 -6.257 1.00 10.00 C ATOM 202 O CYS A 14 -4.259 -10.157 -6.667 1.00 10.00 O ATOM 203 CB CYS A 14 -2.978 -7.912 -7.510 1.00 10.00 C ATOM 204 SG CYS A 14 -3.462 -8.583 -9.124 1.00 10.00 S ATOM 0 H CYS A 14 -0.758 -10.404 -6.965 1.00 10.00 H new ATOM 0 HA CYS A 14 -1.819 -8.365 -5.811 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -3.870 -7.607 -6.964 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -2.373 -7.017 -7.658 1.00 10.00 H new ATOM 0 HG CYS A 14 -4.109 -9.698 -8.954 1.00 10.00 H new ATOM 210 N ALA A 15 -2.583 -10.977 -5.431 1.00 10.00 N ATOM 211 CA ALA A 15 -3.375 -12.037 -4.833 1.00 10.00 C ATOM 212 C ALA A 15 -2.700 -12.413 -3.524 1.00 10.00 C ATOM 213 O ALA A 15 -3.088 -11.935 -2.462 1.00 10.00 O ATOM 214 CB ALA A 15 -3.508 -13.221 -5.802 1.00 10.00 C ATOM 0 H ALA A 15 -1.600 -10.991 -5.160 1.00 10.00 H new ATOM 0 HA ALA A 15 -4.395 -11.711 -4.628 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -4.105 -14.006 -5.337 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -3.996 -12.888 -6.718 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -2.518 -13.610 -6.039 1.00 10.00 H new ATOM 220 N ALA A 16 -1.621 -13.190 -3.620 1.00 10.00 N ATOM 221 CA ALA A 16 -0.818 -13.569 -2.468 1.00 10.00 C ATOM 222 C ALA A 16 -0.178 -12.298 -1.931 1.00 10.00 C ATOM 223 O ALA A 16 -0.294 -11.976 -0.748 1.00 10.00 O ATOM 224 CB ALA A 16 0.241 -14.596 -2.882 1.00 10.00 C ATOM 0 H ALA A 16 -1.282 -13.573 -4.503 1.00 10.00 H new ATOM 0 HA ALA A 16 -1.429 -14.034 -1.694 1.00 10.00 H new ATOM 0 HB1 ALA A 16 0.838 -14.874 -2.013 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -0.249 -15.482 -3.284 1.00 10.00 H new ATOM 0 HB3 ALA A 16 0.889 -14.163 -3.644 1.00 10.00 H new ATOM 230 N CYS A 17 0.453 -11.570 -2.860 1.00 10.00 N ATOM 231 CA CYS A 17 1.002 -10.251 -2.631 1.00 10.00 C ATOM 232 C CYS A 17 -0.048 -9.337 -2.021 1.00 10.00 C ATOM 233 O CYS A 17 0.110 -8.982 -0.865 1.00 10.00 O ATOM 234 CB CYS A 17 1.567 -9.680 -3.925 1.00 10.00 C ATOM 235 SG CYS A 17 1.881 -7.909 -3.731 1.00 10.00 S ATOM 0 H CYS A 17 0.594 -11.902 -3.814 1.00 10.00 H new ATOM 0 HA CYS A 17 1.823 -10.327 -1.919 1.00 10.00 H new ATOM 0 HB2 CYS A 17 2.491 -10.195 -4.187 1.00 10.00 H new ATOM 0 HB3 CYS A 17 0.866 -9.846 -4.743 1.00 10.00 H new ATOM 0 HG CYS A 17 3.123 -7.723 -3.396 1.00 10.00 H new ATOM 241 N ALA A 18 -1.122 -9.008 -2.750 1.00 10.00 N ATOM 242 CA ALA A 18 -2.223 -8.173 -2.265 1.00 10.00 C ATOM 243 C ALA A 18 -2.580 -8.498 -0.814 1.00 10.00 C ATOM 244 O ALA A 18 -2.535 -7.633 0.059 1.00 10.00 O ATOM 245 CB ALA A 18 -3.451 -8.354 -3.168 1.00 10.00 C ATOM 0 H ALA A 18 -1.250 -9.322 -3.712 1.00 10.00 H new ATOM 0 HA ALA A 18 -1.898 -7.133 -2.299 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -4.267 -7.730 -2.802 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -3.199 -8.061 -4.187 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -3.760 -9.399 -3.157 1.00 10.00 H new ATOM 251 N ASN A 19 -2.871 -9.773 -0.553 1.00 10.00 N ATOM 252 CA ASN A 19 -3.212 -10.223 0.803 1.00 10.00 C ATOM 253 C ASN A 19 -2.163 -9.811 1.855 1.00 10.00 C ATOM 254 O ASN A 19 -2.492 -9.571 3.019 1.00 10.00 O ATOM 255 CB ASN A 19 -3.431 -11.745 0.808 1.00 10.00 C ATOM 256 CG ASN A 19 -2.896 -12.407 2.074 1.00 10.00 C ATOM 257 OD1 ASN A 19 -3.602 -12.558 3.067 1.00 10.00 O ATOM 258 ND2 ASN A 19 -1.613 -12.762 2.051 1.00 10.00 N ATOM 0 H ASN A 19 -2.878 -10.511 -1.257 1.00 10.00 H new ATOM 0 HA ASN A 19 -4.137 -9.723 1.088 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -4.496 -11.956 0.714 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -2.941 -12.182 -0.062 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -1.183 -13.176 2.878 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -1.060 -12.620 1.206 1.00 10.00 H new ATOM 265 N ARG A 20 -0.890 -9.832 1.468 1.00 10.00 N ATOM 266 CA ARG A 20 0.267 -9.631 2.323 1.00 10.00 C ATOM 267 C ARG A 20 0.544 -8.134 2.468 1.00 10.00 C ATOM 268 O ARG A 20 0.803 -7.667 3.579 1.00 10.00 O ATOM 269 CB ARG A 20 1.435 -10.419 1.712 1.00 10.00 C ATOM 270 CG ARG A 20 2.450 -10.980 2.718 1.00 10.00 C ATOM 271 CD ARG A 20 2.984 -12.301 2.143 1.00 10.00 C ATOM 272 NE ARG A 20 4.064 -12.886 2.954 1.00 10.00 N ATOM 273 CZ ARG A 20 4.577 -14.113 2.751 1.00 10.00 C ATOM 274 NH1 ARG A 20 4.068 -14.899 1.794 1.00 10.00 N ATOM 275 NH2 ARG A 20 5.596 -14.550 3.498 1.00 10.00 N ATOM 0 H ARG A 20 -0.629 -9.999 0.496 1.00 10.00 H new ATOM 0 HA ARG A 20 0.102 -10.002 3.334 1.00 10.00 H new ATOM 0 HB2 ARG A 20 1.028 -11.247 1.132 1.00 10.00 H new ATOM 0 HB3 ARG A 20 1.963 -9.770 1.013 1.00 10.00 H new ATOM 0 HG2 ARG A 20 3.264 -10.273 2.876 1.00 10.00 H new ATOM 0 HG3 ARG A 20 1.979 -11.146 3.687 1.00 10.00 H new ATOM 0 HD2 ARG A 20 2.165 -13.016 2.069 1.00 10.00 H new ATOM 0 HD3 ARG A 20 3.350 -12.129 1.131 1.00 10.00 H new ATOM 0 HE ARG A 20 4.447 -12.327 3.716 1.00 10.00 H new ATOM 0 HH11 ARG A 20 3.293 -14.567 1.220 1.00 10.00 H new ATOM 0 HH12 ARG A 20 4.456 -15.830 1.639 1.00 10.00 H new ATOM 0 HH21 ARG A 20 5.988 -13.952 4.226 1.00 10.00 H new ATOM 0 HH22 ARG A 20 5.981 -15.481 3.340 1.00 10.00 H new ATOM 289 N ILE A 21 0.440 -7.380 1.361 1.00 10.00 N ATOM 290 CA ILE A 21 0.395 -5.925 1.359 1.00 10.00 C ATOM 291 C ILE A 21 -0.497 -5.464 2.502 1.00 10.00 C ATOM 292 O ILE A 21 -0.014 -4.728 3.353 1.00 10.00 O ATOM 293 CB ILE A 21 -0.140 -5.335 0.039 1.00 10.00 C ATOM 294 CG1 ILE A 21 0.650 -5.694 -1.223 1.00 10.00 C ATOM 295 CG2 ILE A 21 -0.203 -3.814 0.164 1.00 10.00 C ATOM 296 CD1 ILE A 21 1.994 -4.973 -1.365 1.00 10.00 C ATOM 0 H ILE A 21 0.384 -7.783 0.426 1.00 10.00 H new ATOM 0 HA ILE A 21 1.419 -5.569 1.476 1.00 10.00 H new ATOM 0 HB ILE A 21 -1.122 -5.788 -0.097 1.00 10.00 H new ATOM 0 HG12 ILE A 21 0.828 -6.769 -1.230 1.00 10.00 H new ATOM 0 HG13 ILE A 21 0.037 -5.467 -2.095 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -0.580 -3.388 -0.766 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.869 -3.544 0.984 1.00 10.00 H new ATOM 0 HG23 ILE A 21 0.795 -3.424 0.363 1.00 10.00 H new ATOM 0 HD11 ILE A 21 2.481 -5.290 -2.287 1.00 10.00 H new ATOM 0 HD12 ILE A 21 1.828 -3.896 -1.394 1.00 10.00 H new ATOM 0 HD13 ILE A 21 2.631 -5.219 -0.515 1.00 10.00 H new ATOM 308 N GLU A 22 -1.762 -5.910 2.538 1.00 10.00 N ATOM 309 CA GLU A 22 -2.697 -5.540 3.597 1.00 10.00 C ATOM 310 C GLU A 22 -2.027 -5.576 4.970 1.00 10.00 C ATOM 311 O GLU A 22 -2.137 -4.627 5.731 1.00 10.00 O ATOM 312 CB GLU A 22 -3.873 -6.511 3.654 1.00 10.00 C ATOM 313 CG GLU A 22 -4.814 -6.533 2.447 1.00 10.00 C ATOM 314 CD GLU A 22 -5.759 -7.727 2.536 1.00 10.00 C ATOM 315 OE1 GLU A 22 -5.884 -8.267 3.663 1.00 10.00 O ATOM 316 OE2 GLU A 22 -6.287 -8.123 1.479 1.00 10.00 O ATOM 0 H GLU A 22 -2.158 -6.534 1.835 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.037 -4.531 3.364 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.476 -7.517 3.792 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.463 -6.277 4.540 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.389 -5.608 2.408 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -4.234 -6.587 1.526 1.00 10.00 H new ATOM 323 N LYS A 23 -1.348 -6.677 5.308 1.00 10.00 N ATOM 324 CA LYS A 23 -0.745 -6.837 6.619 1.00 10.00 C ATOM 325 C LYS A 23 0.427 -5.859 6.770 1.00 10.00 C ATOM 326 O LYS A 23 0.519 -5.139 7.764 1.00 10.00 O ATOM 327 CB LYS A 23 -0.314 -8.299 6.830 1.00 10.00 C ATOM 328 CG LYS A 23 -1.328 -9.172 7.597 1.00 10.00 C ATOM 329 CD LYS A 23 -2.342 -9.920 6.714 1.00 10.00 C ATOM 330 CE LYS A 23 -3.572 -9.089 6.310 1.00 10.00 C ATOM 331 NZ LYS A 23 -4.234 -9.642 5.105 1.00 10.00 N ATOM 0 H LYS A 23 -1.206 -7.470 4.682 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.475 -6.602 7.394 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.130 -8.752 5.856 1.00 10.00 H new ATOM 0 HB3 LYS A 23 0.633 -8.309 7.370 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.779 -9.902 8.192 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -1.875 -8.538 8.295 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -1.836 -10.260 5.810 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -2.679 -10.810 7.245 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -4.282 -9.064 7.137 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.269 -8.059 6.119 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -5.048 -9.047 4.852 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -3.558 -9.658 4.314 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -4.560 -10.610 5.301 1.00 10.00 H new ATOM 345 N ARG A 24 1.333 -5.827 5.787 1.00 10.00 N ATOM 346 CA ARG A 24 2.493 -4.943 5.835 1.00 10.00 C ATOM 347 C ARG A 24 2.090 -3.475 5.974 1.00 10.00 C ATOM 348 O ARG A 24 2.748 -2.730 6.692 1.00 10.00 O ATOM 349 CB ARG A 24 3.393 -5.167 4.610 1.00 10.00 C ATOM 350 CG ARG A 24 4.456 -6.225 4.929 1.00 10.00 C ATOM 351 CD ARG A 24 5.618 -5.625 5.735 1.00 10.00 C ATOM 352 NE ARG A 24 6.353 -6.672 6.462 1.00 10.00 N ATOM 353 CZ ARG A 24 7.458 -7.319 6.051 1.00 10.00 C ATOM 354 NH1 ARG A 24 8.034 -7.018 4.882 1.00 10.00 N ATOM 355 NH2 ARG A 24 7.980 -8.275 6.828 1.00 10.00 N ATOM 0 H ARG A 24 1.281 -6.406 4.949 1.00 10.00 H new ATOM 0 HA ARG A 24 3.064 -5.195 6.728 1.00 10.00 H new ATOM 0 HB2 ARG A 24 2.791 -5.488 3.760 1.00 10.00 H new ATOM 0 HB3 ARG A 24 3.873 -4.231 4.325 1.00 10.00 H new ATOM 0 HG2 ARG A 24 4.003 -7.040 5.493 1.00 10.00 H new ATOM 0 HG3 ARG A 24 4.837 -6.652 4.001 1.00 10.00 H new ATOM 0 HD2 ARG A 24 6.297 -5.099 5.064 1.00 10.00 H new ATOM 0 HD3 ARG A 24 5.233 -4.889 6.441 1.00 10.00 H new ATOM 0 HE ARG A 24 5.985 -6.935 7.376 1.00 10.00 H new ATOM 0 HH11 ARG A 24 7.635 -6.290 4.290 1.00 10.00 H new ATOM 0 HH12 ARG A 24 8.872 -7.517 4.583 1.00 10.00 H new ATOM 0 HH21 ARG A 24 7.540 -8.505 7.719 1.00 10.00 H new ATOM 0 HH22 ARG A 24 8.818 -8.774 6.529 1.00 10.00 H new ATOM 369 N LEU A 25 1.020 -3.073 5.294 1.00 10.00 N ATOM 370 CA LEU A 25 0.471 -1.731 5.356 1.00 10.00 C ATOM 371 C LEU A 25 -0.263 -1.523 6.681 1.00 10.00 C ATOM 372 O LEU A 25 -0.028 -0.532 7.365 1.00 10.00 O ATOM 373 CB LEU A 25 -0.404 -1.468 4.120 1.00 10.00 C ATOM 374 CG LEU A 25 0.304 -0.500 3.157 1.00 10.00 C ATOM 375 CD1 LEU A 25 -0.158 -0.704 1.715 1.00 10.00 C ATOM 376 CD2 LEU A 25 -0.057 0.922 3.579 1.00 10.00 C ATOM 0 H LEU A 25 0.501 -3.691 4.670 1.00 10.00 H new ATOM 0 HA LEU A 25 1.273 -0.993 5.332 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.616 -2.408 3.610 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.362 -1.049 4.427 1.00 10.00 H new ATOM 0 HG LEU A 25 1.378 -0.681 3.201 1.00 10.00 H new ATOM 0 HD11 LEU A 25 0.363 -0.003 1.063 1.00 10.00 H new ATOM 0 HD12 LEU A 25 0.065 -1.724 1.403 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.232 -0.531 1.649 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.431 1.634 2.914 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.137 1.055 3.523 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.277 1.094 4.602 1.00 10.00 H new ATOM 388 N ASN A 26 -1.102 -2.478 7.089 1.00 10.00 N ATOM 389 CA ASN A 26 -1.781 -2.451 8.383 1.00 10.00 C ATOM 390 C ASN A 26 -0.787 -2.309 9.534 1.00 10.00 C ATOM 391 O ASN A 26 -1.170 -1.867 10.612 1.00 10.00 O ATOM 392 CB ASN A 26 -2.634 -3.707 8.617 1.00 10.00 C ATOM 393 CG ASN A 26 -3.953 -3.732 7.847 1.00 10.00 C ATOM 394 OD1 ASN A 26 -4.270 -2.838 7.069 1.00 10.00 O ATOM 395 ND2 ASN A 26 -4.757 -4.766 8.082 1.00 10.00 N ATOM 0 H ASN A 26 -1.330 -3.297 6.525 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.437 -1.581 8.359 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.050 -4.584 8.339 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.849 -3.791 9.682 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -5.659 -4.828 7.611 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -4.471 -5.497 8.733 1.00 10.00 H new ATOM 402 N LYS A 27 0.474 -2.710 9.338 1.00 10.00 N ATOM 403 CA LYS A 27 1.502 -2.528 10.340 1.00 10.00 C ATOM 404 C LYS A 27 1.650 -1.061 10.759 1.00 10.00 C ATOM 405 O LYS A 27 1.897 -0.792 11.930 1.00 10.00 O ATOM 406 CB LYS A 27 2.820 -3.055 9.773 1.00 10.00 C ATOM 407 CG LYS A 27 3.748 -3.612 10.857 1.00 10.00 C ATOM 408 CD LYS A 27 5.170 -3.064 10.705 1.00 10.00 C ATOM 409 CE LYS A 27 5.761 -3.373 9.322 1.00 10.00 C ATOM 410 NZ LYS A 27 7.059 -2.687 9.134 1.00 10.00 N ATOM 0 H LYS A 27 0.798 -3.165 8.484 1.00 10.00 H new ATOM 0 HA LYS A 27 1.220 -3.080 11.237 1.00 10.00 H new ATOM 0 HB2 LYS A 27 2.610 -3.837 9.043 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.330 -2.251 9.242 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.359 -3.352 11.841 1.00 10.00 H new ATOM 0 HG3 LYS A 27 3.767 -4.700 10.799 1.00 10.00 H new ATOM 0 HD2 LYS A 27 5.162 -1.986 10.863 1.00 10.00 H new ATOM 0 HD3 LYS A 27 5.809 -3.494 11.476 1.00 10.00 H new ATOM 0 HE2 LYS A 27 5.895 -4.449 9.212 1.00 10.00 H new ATOM 0 HE3 LYS A 27 5.063 -3.058 8.546 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 7.437 -2.912 8.192 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 6.924 -1.659 9.216 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 7.729 -3.007 9.862 1.00 10.00 H new ATOM 424 N ILE A 28 1.557 -0.127 9.805 1.00 10.00 N ATOM 425 CA ILE A 28 1.657 1.291 10.055 1.00 10.00 C ATOM 426 C ILE A 28 0.614 1.726 11.079 1.00 10.00 C ATOM 427 O ILE A 28 -0.549 1.341 11.000 1.00 10.00 O ATOM 428 CB ILE A 28 1.500 2.028 8.714 1.00 10.00 C ATOM 429 CG1 ILE A 28 2.779 1.833 7.879 1.00 10.00 C ATOM 430 CG2 ILE A 28 1.223 3.512 8.939 1.00 10.00 C ATOM 431 CD1 ILE A 28 2.683 0.745 6.817 1.00 10.00 C ATOM 0 H ILE A 28 1.407 -0.354 8.822 1.00 10.00 H new ATOM 0 HA ILE A 28 2.630 1.539 10.480 1.00 10.00 H new ATOM 0 HB ILE A 28 0.649 1.613 8.174 1.00 10.00 H new ATOM 0 HG12 ILE A 28 3.027 2.776 7.393 1.00 10.00 H new ATOM 0 HG13 ILE A 28 3.603 1.595 8.551 1.00 10.00 H new ATOM 0 HG21 ILE A 28 1.116 4.012 7.976 1.00 10.00 H new ATOM 0 HG22 ILE A 28 0.303 3.628 9.512 1.00 10.00 H new ATOM 0 HG23 ILE A 28 2.052 3.958 9.489 1.00 10.00 H new ATOM 0 HD11 ILE A 28 3.628 0.678 6.278 1.00 10.00 H new ATOM 0 HD12 ILE A 28 2.469 -0.211 7.294 1.00 10.00 H new ATOM 0 HD13 ILE A 28 1.883 0.989 6.118 1.00 10.00 H new ATOM 443 N GLU A 29 1.033 2.553 12.030 1.00 10.00 N ATOM 444 CA GLU A 29 0.195 2.952 13.137 1.00 10.00 C ATOM 445 C GLU A 29 -0.913 3.890 12.647 1.00 10.00 C ATOM 446 O GLU A 29 -2.088 3.665 12.928 1.00 10.00 O ATOM 447 CB GLU A 29 1.070 3.582 14.230 1.00 10.00 C ATOM 448 CG GLU A 29 1.986 2.563 14.934 1.00 10.00 C ATOM 449 CD GLU A 29 3.194 2.099 14.118 1.00 10.00 C ATOM 450 OE1 GLU A 29 3.449 2.708 13.052 1.00 10.00 O ATOM 451 OE2 GLU A 29 3.852 1.146 14.587 1.00 10.00 O ATOM 0 H GLU A 29 1.967 2.963 12.048 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.301 2.084 13.572 1.00 10.00 H new ATOM 0 HB2 GLU A 29 1.683 4.368 13.788 1.00 10.00 H new ATOM 0 HB3 GLU A 29 0.428 4.057 14.972 1.00 10.00 H new ATOM 0 HG2 GLU A 29 2.344 3.003 15.865 1.00 10.00 H new ATOM 0 HG3 GLU A 29 1.392 1.689 15.202 1.00 10.00 H new ATOM 458 N GLY A 30 -0.567 4.929 11.878 1.00 10.00 N ATOM 459 CA GLY A 30 -1.535 5.904 11.399 1.00 10.00 C ATOM 460 C GLY A 30 -2.238 5.403 10.142 1.00 10.00 C ATOM 461 O GLY A 30 -2.300 6.126 9.149 1.00 10.00 O ATOM 0 H GLY A 30 0.390 5.111 11.575 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.272 6.103 12.177 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -1.032 6.848 11.187 1.00 10.00 H new ATOM 465 N VAL A 31 -2.736 4.166 10.173 1.00 10.00 N ATOM 466 CA VAL A 31 -3.471 3.517 9.107 1.00 10.00 C ATOM 467 C VAL A 31 -4.928 3.352 9.534 1.00 10.00 C ATOM 468 O VAL A 31 -5.215 3.296 10.729 1.00 10.00 O ATOM 469 CB VAL A 31 -2.781 2.173 8.826 1.00 10.00 C ATOM 470 CG1 VAL A 31 -3.253 1.051 9.759 1.00 10.00 C ATOM 471 CG2 VAL A 31 -2.948 1.782 7.363 1.00 10.00 C ATOM 0 H VAL A 31 -2.627 3.565 10.990 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.474 4.106 8.190 1.00 10.00 H new ATOM 0 HB VAL A 31 -1.720 2.312 9.033 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -2.730 0.127 9.511 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -3.039 1.323 10.793 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -4.326 0.904 9.637 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -2.453 0.828 7.183 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -4.009 1.690 7.130 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -2.502 2.548 6.729 1.00 10.00 H new ATOM 481 N ALA A 32 -5.842 3.253 8.568 1.00 10.00 N ATOM 482 CA ALA A 32 -7.217 2.854 8.835 1.00 10.00 C ATOM 483 C ALA A 32 -7.558 1.594 8.060 1.00 10.00 C ATOM 484 O ALA A 32 -7.971 0.604 8.655 1.00 10.00 O ATOM 485 CB ALA A 32 -8.177 3.990 8.497 1.00 10.00 C ATOM 0 H ALA A 32 -5.648 3.447 7.586 1.00 10.00 H new ATOM 0 HA ALA A 32 -7.322 2.635 9.898 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.200 3.675 8.702 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -7.937 4.862 9.105 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -8.081 4.246 7.442 1.00 10.00 H new ATOM 491 N ASN A 33 -7.405 1.628 6.735 1.00 10.00 N ATOM 492 CA ASN A 33 -7.867 0.553 5.868 1.00 10.00 C ATOM 493 C ASN A 33 -6.879 0.420 4.716 1.00 10.00 C ATOM 494 O ASN A 33 -6.311 1.420 4.292 1.00 10.00 O ATOM 495 CB ASN A 33 -9.268 0.871 5.312 1.00 10.00 C ATOM 496 CG ASN A 33 -10.332 1.120 6.376 1.00 10.00 C ATOM 497 OD1 ASN A 33 -10.620 0.244 7.184 1.00 10.00 O ATOM 498 ND2 ASN A 33 -10.956 2.294 6.369 1.00 10.00 N ATOM 0 H ASN A 33 -6.959 2.399 6.239 1.00 10.00 H new ATOM 0 HA ASN A 33 -7.928 -0.377 6.434 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -9.200 1.751 4.673 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.591 0.043 4.681 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -11.694 2.483 7.047 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -10.697 3.005 5.686 1.00 10.00 H new ATOM 505 N ALA A 34 -6.689 -0.783 4.170 1.00 10.00 N ATOM 506 CA ALA A 34 -5.889 -0.974 2.964 1.00 10.00 C ATOM 507 C ALA A 34 -6.493 -2.058 2.064 1.00 10.00 C ATOM 508 O ALA A 34 -5.865 -3.090 1.843 1.00 10.00 O ATOM 509 CB ALA A 34 -4.437 -1.271 3.360 1.00 10.00 C ATOM 0 H ALA A 34 -7.083 -1.644 4.549 1.00 10.00 H new ATOM 0 HA ALA A 34 -5.894 -0.058 2.373 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -3.837 -1.414 2.461 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -4.038 -0.434 3.933 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.403 -2.176 3.967 1.00 10.00 H new ATOM 515 N PRO A 35 -7.709 -1.852 1.530 1.00 10.00 N ATOM 516 CA PRO A 35 -8.349 -2.800 0.634 1.00 10.00 C ATOM 517 C PRO A 35 -7.717 -2.691 -0.757 1.00 10.00 C ATOM 518 O PRO A 35 -8.299 -2.126 -1.679 1.00 10.00 O ATOM 519 CB PRO A 35 -9.830 -2.414 0.652 1.00 10.00 C ATOM 520 CG PRO A 35 -9.783 -0.899 0.846 1.00 10.00 C ATOM 521 CD PRO A 35 -8.580 -0.715 1.773 1.00 10.00 C ATOM 0 HA PRO A 35 -8.227 -3.841 0.932 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -10.330 -2.687 -0.277 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -10.367 -2.909 1.461 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -9.649 -0.374 -0.100 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -10.701 -0.520 1.294 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -8.065 0.223 1.563 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -8.893 -0.680 2.816 1.00 10.00 H new ATOM 529 N VAL A 36 -6.500 -3.216 -0.893 1.00 10.00 N ATOM 530 CA VAL A 36 -5.756 -3.208 -2.139 1.00 10.00 C ATOM 531 C VAL A 36 -6.425 -4.070 -3.215 1.00 10.00 C ATOM 532 O VAL A 36 -7.212 -4.967 -2.909 1.00 10.00 O ATOM 533 CB VAL A 36 -4.313 -3.641 -1.863 1.00 10.00 C ATOM 534 CG1 VAL A 36 -3.719 -2.792 -0.734 1.00 10.00 C ATOM 535 CG2 VAL A 36 -4.210 -5.119 -1.490 1.00 10.00 C ATOM 0 H VAL A 36 -6.001 -3.664 -0.125 1.00 10.00 H new ATOM 0 HA VAL A 36 -5.748 -2.194 -2.540 1.00 10.00 H new ATOM 0 HB VAL A 36 -3.752 -3.490 -2.785 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -2.693 -3.106 -0.544 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -3.729 -1.742 -1.025 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -4.312 -2.924 0.171 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -3.167 -5.376 -1.304 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.796 -5.309 -0.591 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -4.593 -5.728 -2.308 1.00 10.00 H new ATOM 545 N ASN A 37 -6.113 -3.802 -4.487 1.00 10.00 N ATOM 546 CA ASN A 37 -6.915 -4.351 -5.577 1.00 10.00 C ATOM 547 C ASN A 37 -6.380 -5.701 -6.047 1.00 10.00 C ATOM 548 O ASN A 37 -5.434 -5.758 -6.831 1.00 10.00 O ATOM 549 CB ASN A 37 -6.993 -3.367 -6.743 1.00 10.00 C ATOM 550 CG ASN A 37 -7.613 -2.026 -6.357 1.00 10.00 C ATOM 551 OD1 ASN A 37 -8.494 -1.961 -5.505 1.00 10.00 O ATOM 552 ND2 ASN A 37 -7.177 -0.944 -6.992 1.00 10.00 N ATOM 0 H ASN A 37 -5.328 -3.221 -4.780 1.00 10.00 H new ATOM 0 HA ASN A 37 -7.922 -4.512 -5.192 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -5.990 -3.197 -7.135 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.578 -3.812 -7.548 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -7.576 -0.030 -6.776 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -6.443 -1.027 -7.696 1.00 10.00 H new ATOM 559 N PHE A 38 -7.027 -6.791 -5.623 1.00 10.00 N ATOM 560 CA PHE A 38 -6.613 -8.181 -5.833 1.00 10.00 C ATOM 561 C PHE A 38 -6.859 -8.697 -7.263 1.00 10.00 C ATOM 562 O PHE A 38 -7.281 -9.835 -7.455 1.00 10.00 O ATOM 563 CB PHE A 38 -7.290 -9.066 -4.777 1.00 10.00 C ATOM 564 CG PHE A 38 -8.791 -8.867 -4.643 1.00 10.00 C ATOM 565 CD1 PHE A 38 -9.681 -9.562 -5.485 1.00 10.00 C ATOM 566 CD2 PHE A 38 -9.295 -7.914 -3.735 1.00 10.00 C ATOM 567 CE1 PHE A 38 -11.053 -9.260 -5.465 1.00 10.00 C ATOM 568 CE2 PHE A 38 -10.664 -7.600 -3.730 1.00 10.00 C ATOM 569 CZ PHE A 38 -11.543 -8.268 -4.600 1.00 10.00 C ATOM 0 H PHE A 38 -7.898 -6.724 -5.097 1.00 10.00 H new ATOM 0 HA PHE A 38 -5.531 -8.226 -5.714 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -7.097 -10.111 -5.021 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -6.825 -8.874 -3.810 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -9.308 -10.329 -6.148 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -8.627 -7.424 -3.042 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -11.732 -9.791 -6.116 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -11.042 -6.844 -3.057 1.00 10.00 H new ATOM 0 HZ PHE A 38 -12.594 -8.019 -4.603 1.00 10.00 H new ATOM 579 N ALA A 39 -6.565 -7.874 -8.269 1.00 10.00 N ATOM 580 CA ALA A 39 -6.661 -8.208 -9.689 1.00 10.00 C ATOM 581 C ALA A 39 -6.174 -7.041 -10.552 1.00 10.00 C ATOM 582 O ALA A 39 -5.608 -7.246 -11.621 1.00 10.00 O ATOM 583 CB ALA A 39 -8.108 -8.533 -10.079 1.00 10.00 C ATOM 0 H ALA A 39 -6.241 -6.920 -8.111 1.00 10.00 H new ATOM 0 HA ALA A 39 -6.033 -9.082 -9.861 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -8.153 -8.778 -11.140 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -8.460 -9.383 -9.495 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -8.742 -7.669 -9.879 1.00 10.00 H new ATOM 589 N LEU A 40 -6.459 -5.812 -10.109 1.00 10.00 N ATOM 590 CA LEU A 40 -6.286 -4.590 -10.886 1.00 10.00 C ATOM 591 C LEU A 40 -4.888 -3.986 -10.732 1.00 10.00 C ATOM 592 O LEU A 40 -4.624 -2.896 -11.236 1.00 10.00 O ATOM 593 CB LEU A 40 -7.310 -3.556 -10.424 1.00 10.00 C ATOM 594 CG LEU A 40 -8.701 -4.115 -10.095 1.00 10.00 C ATOM 595 CD1 LEU A 40 -9.536 -2.921 -9.660 1.00 10.00 C ATOM 596 CD2 LEU A 40 -9.317 -4.873 -11.269 1.00 10.00 C ATOM 0 H LEU A 40 -6.826 -5.640 -9.173 1.00 10.00 H new ATOM 0 HA LEU A 40 -6.425 -4.852 -11.935 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.920 -3.052 -9.540 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.415 -2.799 -11.202 1.00 10.00 H new ATOM 0 HG LEU A 40 -8.648 -4.859 -9.301 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.544 -3.253 -9.410 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -9.080 -2.457 -8.785 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.584 -2.195 -10.472 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -10.300 -5.248 -10.984 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -9.417 -4.203 -12.122 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -8.674 -5.710 -11.539 1.00 10.00 H new ATOM 608 N GLU A 41 -4.040 -4.650 -9.950 1.00 10.00 N ATOM 609 CA GLU A 41 -2.614 -4.350 -9.821 1.00 10.00 C ATOM 610 C GLU A 41 -2.413 -2.910 -9.352 1.00 10.00 C ATOM 611 O GLU A 41 -1.590 -2.170 -9.881 1.00 10.00 O ATOM 612 CB GLU A 41 -1.875 -4.649 -11.138 1.00 10.00 C ATOM 613 CG GLU A 41 -1.907 -6.151 -11.440 1.00 10.00 C ATOM 614 CD GLU A 41 -1.215 -6.500 -12.750 1.00 10.00 C ATOM 615 OE1 GLU A 41 -1.773 -6.124 -13.804 1.00 10.00 O ATOM 616 OE2 GLU A 41 -0.151 -7.153 -12.678 1.00 10.00 O ATOM 0 H GLU A 41 -4.334 -5.436 -9.370 1.00 10.00 H new ATOM 0 HA GLU A 41 -2.180 -4.999 -9.060 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -2.339 -4.097 -11.956 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.842 -4.308 -11.068 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -1.427 -6.692 -10.625 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.943 -6.488 -11.480 1.00 10.00 H new ATOM 623 N THR A 42 -3.192 -2.521 -8.342 1.00 10.00 N ATOM 624 CA THR A 42 -3.192 -1.189 -7.771 1.00 10.00 C ATOM 625 C THR A 42 -3.458 -1.326 -6.273 1.00 10.00 C ATOM 626 O THR A 42 -4.382 -2.027 -5.858 1.00 10.00 O ATOM 627 CB THR A 42 -4.242 -0.314 -8.480 1.00 10.00 C ATOM 628 OG1 THR A 42 -5.266 -1.109 -9.058 1.00 10.00 O ATOM 629 CG2 THR A 42 -3.609 0.519 -9.597 1.00 10.00 C ATOM 0 H THR A 42 -3.857 -3.149 -7.891 1.00 10.00 H new ATOM 0 HA THR A 42 -2.231 -0.694 -7.913 1.00 10.00 H new ATOM 0 HB THR A 42 -4.663 0.343 -7.719 1.00 10.00 H new ATOM 0 HG1 THR A 42 -4.925 -1.545 -9.867 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.376 1.126 -10.078 1.00 10.00 H new ATOM 0 HG22 THR A 42 -2.843 1.170 -9.176 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.156 -0.145 -10.334 1.00 10.00 H new ATOM 637 N VAL A 43 -2.620 -0.705 -5.447 1.00 10.00 N ATOM 638 CA VAL A 43 -2.809 -0.674 -4.005 1.00 10.00 C ATOM 639 C VAL A 43 -3.481 0.645 -3.639 1.00 10.00 C ATOM 640 O VAL A 43 -2.982 1.710 -3.996 1.00 10.00 O ATOM 641 CB VAL A 43 -1.451 -0.874 -3.322 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.379 -0.370 -1.877 1.00 10.00 C ATOM 643 CG2 VAL A 43 -0.999 -2.338 -3.413 1.00 10.00 C ATOM 0 H VAL A 43 -1.788 -0.208 -5.764 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.458 -1.479 -3.660 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.758 -0.244 -3.880 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.382 -0.554 -1.477 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.588 0.700 -1.854 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.116 -0.897 -1.271 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.033 -2.452 -2.921 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.734 -2.977 -2.923 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.909 -2.627 -4.460 1.00 10.00 H new ATOM 653 N THR A 44 -4.596 0.552 -2.909 1.00 10.00 N ATOM 654 CA THR A 44 -5.389 1.662 -2.421 1.00 10.00 C ATOM 655 C THR A 44 -5.284 1.665 -0.894 1.00 10.00 C ATOM 656 O THR A 44 -5.809 0.755 -0.252 1.00 10.00 O ATOM 657 CB THR A 44 -6.850 1.444 -2.844 1.00 10.00 C ATOM 658 OG1 THR A 44 -6.996 1.307 -4.245 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.711 2.608 -2.360 1.00 10.00 C ATOM 0 H THR A 44 -4.982 -0.351 -2.633 1.00 10.00 H new ATOM 0 HA THR A 44 -5.038 2.612 -2.825 1.00 10.00 H new ATOM 0 HB THR A 44 -7.178 0.511 -2.385 1.00 10.00 H new ATOM 0 HG1 THR A 44 -6.293 1.817 -4.699 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.745 2.446 -2.664 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.658 2.673 -1.273 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.346 3.537 -2.797 1.00 10.00 H new ATOM 667 N VAL A 45 -4.635 2.672 -0.305 1.00 10.00 N ATOM 668 CA VAL A 45 -4.520 2.804 1.144 1.00 10.00 C ATOM 669 C VAL A 45 -5.432 3.920 1.645 1.00 10.00 C ATOM 670 O VAL A 45 -5.540 4.965 1.007 1.00 10.00 O ATOM 671 CB VAL A 45 -3.066 3.087 1.540 1.00 10.00 C ATOM 672 CG1 VAL A 45 -2.907 3.117 3.064 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.145 2.010 0.961 1.00 10.00 C ATOM 0 H VAL A 45 -4.174 3.420 -0.824 1.00 10.00 H new ATOM 0 HA VAL A 45 -4.829 1.866 1.605 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.793 4.063 1.138 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -1.866 3.320 3.317 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.541 3.900 3.481 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -3.201 2.153 3.479 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.115 2.220 1.248 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -2.438 1.034 1.348 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.226 2.008 -0.126 1.00 10.00 H new ATOM 683 N GLU A 46 -6.050 3.694 2.808 1.00 10.00 N ATOM 684 CA GLU A 46 -6.619 4.713 3.668 1.00 10.00 C ATOM 685 C GLU A 46 -5.727 4.840 4.906 1.00 10.00 C ATOM 686 O GLU A 46 -5.695 3.933 5.748 1.00 10.00 O ATOM 687 CB GLU A 46 -8.043 4.332 4.082 1.00 10.00 C ATOM 688 CG GLU A 46 -8.983 5.535 3.976 1.00 10.00 C ATOM 689 CD GLU A 46 -10.223 5.257 4.791 1.00 10.00 C ATOM 690 OE1 GLU A 46 -10.831 4.211 4.464 1.00 10.00 O ATOM 691 OE2 GLU A 46 -10.475 6.032 5.738 1.00 10.00 O ATOM 0 H GLU A 46 -6.168 2.753 3.184 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.668 5.663 3.137 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -8.407 3.524 3.447 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -8.040 3.957 5.105 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -8.487 6.435 4.339 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -9.249 5.716 2.934 1.00 10.00 H new ATOM 698 N TYR A 47 -5.005 5.955 5.023 1.00 10.00 N ATOM 699 CA TYR A 47 -4.163 6.223 6.179 1.00 10.00 C ATOM 700 C TYR A 47 -4.225 7.708 6.500 1.00 10.00 C ATOM 701 O TYR A 47 -4.779 8.478 5.719 1.00 10.00 O ATOM 702 CB TYR A 47 -2.729 5.728 5.937 1.00 10.00 C ATOM 703 CG TYR A 47 -1.802 6.700 5.240 1.00 10.00 C ATOM 704 CD1 TYR A 47 -1.870 6.896 3.847 1.00 10.00 C ATOM 705 CD2 TYR A 47 -0.890 7.445 6.010 1.00 10.00 C ATOM 706 CE1 TYR A 47 -1.041 7.854 3.237 1.00 10.00 C ATOM 707 CE2 TYR A 47 -0.086 8.416 5.401 1.00 10.00 C ATOM 708 CZ TYR A 47 -0.177 8.638 4.020 1.00 10.00 C ATOM 709 OH TYR A 47 0.586 9.613 3.453 1.00 10.00 O ATOM 0 H TYR A 47 -4.990 6.693 4.319 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.530 5.673 7.046 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.290 5.463 6.899 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.776 4.814 5.346 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -2.556 6.313 3.250 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -0.810 7.268 7.072 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -1.068 7.987 2.166 1.00 10.00 H new ATOM 0 HE2 TYR A 47 0.605 8.995 5.996 1.00 10.00 H new ATOM 0 HH TYR A 47 0.039 10.413 3.307 1.00 10.00 H new ATOM 719 N ASN A 48 -3.687 8.100 7.653 1.00 10.00 N ATOM 720 CA ASN A 48 -3.689 9.482 8.119 1.00 10.00 C ATOM 721 C ASN A 48 -2.254 10.010 8.200 1.00 10.00 C ATOM 722 O ASN A 48 -1.466 9.492 8.995 1.00 10.00 O ATOM 723 CB ASN A 48 -4.461 9.622 9.438 1.00 10.00 C ATOM 724 CG ASN A 48 -3.951 8.770 10.594 1.00 10.00 C ATOM 725 OD1 ASN A 48 -4.220 7.577 10.659 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.281 9.383 11.562 1.00 10.00 N ATOM 0 H ASN A 48 -3.231 7.455 8.298 1.00 10.00 H new ATOM 0 HA ASN A 48 -4.219 10.104 7.398 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -4.437 10.668 9.743 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -5.505 9.367 9.256 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -2.978 8.859 12.383 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -3.069 10.378 11.485 1.00 10.00 H new ATOM 733 N PRO A 49 -1.881 11.020 7.390 1.00 10.00 N ATOM 734 CA PRO A 49 -0.520 11.535 7.326 1.00 10.00 C ATOM 735 C PRO A 49 -0.196 12.381 8.556 1.00 10.00 C ATOM 736 O PRO A 49 -0.069 13.601 8.476 1.00 10.00 O ATOM 737 CB PRO A 49 -0.445 12.336 6.023 1.00 10.00 C ATOM 738 CG PRO A 49 -1.868 12.864 5.878 1.00 10.00 C ATOM 739 CD PRO A 49 -2.713 11.705 6.406 1.00 10.00 C ATOM 0 HA PRO A 49 0.223 10.737 7.328 1.00 10.00 H new ATOM 0 HB2 PRO A 49 0.283 13.144 6.085 1.00 10.00 H new ATOM 0 HB3 PRO A 49 -0.156 11.711 5.178 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -2.023 13.774 6.457 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -2.108 13.101 4.841 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -3.635 12.069 6.859 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -2.999 11.031 5.599 1.00 10.00 H new ATOM 747 N LYS A 50 -0.033 11.713 9.699 1.00 10.00 N ATOM 748 CA LYS A 50 0.511 12.321 10.903 1.00 10.00 C ATOM 749 C LYS A 50 1.516 11.385 11.583 1.00 10.00 C ATOM 750 O LYS A 50 2.539 11.856 12.070 1.00 10.00 O ATOM 751 CB LYS A 50 -0.625 12.860 11.793 1.00 10.00 C ATOM 752 CG LYS A 50 -1.242 11.863 12.780 1.00 10.00 C ATOM 753 CD LYS A 50 -0.513 11.902 14.132 1.00 10.00 C ATOM 754 CE LYS A 50 -0.918 10.694 14.983 1.00 10.00 C ATOM 755 NZ LYS A 50 -0.034 10.514 16.149 1.00 10.00 N ATOM 0 H LYS A 50 -0.278 10.729 9.811 1.00 10.00 H new ATOM 0 HA LYS A 50 1.102 13.202 10.652 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -0.243 13.710 12.358 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -1.417 13.237 11.146 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -2.297 12.095 12.925 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -1.192 10.856 12.365 1.00 10.00 H new ATOM 0 HD2 LYS A 50 0.565 11.900 13.973 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -0.755 12.825 14.658 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -1.946 10.820 15.324 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -0.894 9.794 14.368 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -0.138 9.547 16.517 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 0.954 10.672 15.864 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -0.293 11.196 16.890 1.00 10.00 H new ATOM 769 N GLU A 51 1.242 10.072 11.609 1.00 10.00 N ATOM 770 CA GLU A 51 2.158 9.086 12.167 1.00 10.00 C ATOM 771 C GLU A 51 3.159 8.630 11.096 1.00 10.00 C ATOM 772 O GLU A 51 4.364 8.622 11.331 1.00 10.00 O ATOM 773 CB GLU A 51 1.349 7.900 12.731 1.00 10.00 C ATOM 774 CG GLU A 51 1.896 7.394 14.074 1.00 10.00 C ATOM 775 CD GLU A 51 1.526 8.309 15.226 1.00 10.00 C ATOM 776 OE1 GLU A 51 2.137 9.392 15.368 1.00 10.00 O ATOM 777 OE2 GLU A 51 0.511 8.030 15.905 1.00 10.00 O ATOM 0 H GLU A 51 0.378 9.672 11.242 1.00 10.00 H new ATOM 0 HA GLU A 51 2.729 9.530 12.982 1.00 10.00 H new ATOM 0 HB2 GLU A 51 0.309 8.202 12.858 1.00 10.00 H new ATOM 0 HB3 GLU A 51 1.358 7.083 12.009 1.00 10.00 H new ATOM 0 HG2 GLU A 51 1.509 6.394 14.268 1.00 10.00 H new ATOM 0 HG3 GLU A 51 2.981 7.310 14.014 1.00 10.00 H new ATOM 784 N ALA A 52 2.647 8.229 9.925 1.00 10.00 N ATOM 785 CA ALA A 52 3.414 7.600 8.851 1.00 10.00 C ATOM 786 C ALA A 52 3.264 8.389 7.541 1.00 10.00 C ATOM 787 O ALA A 52 2.626 9.442 7.529 1.00 10.00 O ATOM 788 CB ALA A 52 2.919 6.172 8.697 1.00 10.00 C ATOM 0 H ALA A 52 1.659 8.338 9.696 1.00 10.00 H new ATOM 0 HA ALA A 52 4.476 7.596 9.097 1.00 10.00 H new ATOM 0 HB1 ALA A 52 3.475 5.678 7.900 1.00 10.00 H new ATOM 0 HB2 ALA A 52 3.068 5.632 9.632 1.00 10.00 H new ATOM 0 HB3 ALA A 52 1.858 6.180 8.448 1.00 10.00 H new ATOM 794 N SER A 53 3.824 7.887 6.431 1.00 10.00 N ATOM 795 CA SER A 53 3.714 8.514 5.116 1.00 10.00 C ATOM 796 C SER A 53 3.621 7.491 3.980 1.00 10.00 C ATOM 797 O SER A 53 3.951 6.316 4.140 1.00 10.00 O ATOM 798 CB SER A 53 4.922 9.427 4.879 1.00 10.00 C ATOM 799 OG SER A 53 6.100 8.651 4.726 1.00 10.00 O ATOM 0 H SER A 53 4.370 7.026 6.426 1.00 10.00 H new ATOM 0 HA SER A 53 2.790 9.091 5.112 1.00 10.00 H new ATOM 0 HB2 SER A 53 4.759 10.034 3.988 1.00 10.00 H new ATOM 0 HB3 SER A 53 5.037 10.115 5.717 1.00 10.00 H new ATOM 0 HG SER A 53 6.865 9.244 4.573 1.00 10.00 H new ATOM 805 N VAL A 54 3.268 7.992 2.792 1.00 10.00 N ATOM 806 CA VAL A 54 3.428 7.296 1.519 1.00 10.00 C ATOM 807 C VAL A 54 4.830 6.679 1.386 1.00 10.00 C ATOM 808 O VAL A 54 4.978 5.543 0.937 1.00 10.00 O ATOM 809 CB VAL A 54 3.113 8.250 0.344 1.00 10.00 C ATOM 810 CG1 VAL A 54 1.631 8.639 0.335 1.00 10.00 C ATOM 811 CG2 VAL A 54 3.942 9.543 0.337 1.00 10.00 C ATOM 0 H VAL A 54 2.852 8.918 2.691 1.00 10.00 H new ATOM 0 HA VAL A 54 2.716 6.472 1.489 1.00 10.00 H new ATOM 0 HB VAL A 54 3.379 7.681 -0.547 1.00 10.00 H new ATOM 0 HG11 VAL A 54 1.436 9.310 -0.501 1.00 10.00 H new ATOM 0 HG12 VAL A 54 1.020 7.742 0.230 1.00 10.00 H new ATOM 0 HG13 VAL A 54 1.381 9.141 1.269 1.00 10.00 H new ATOM 0 HG21 VAL A 54 3.657 10.153 -0.520 1.00 10.00 H new ATOM 0 HG22 VAL A 54 3.757 10.099 1.256 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.001 9.296 0.270 1.00 10.00 H new ATOM 821 N SER A 55 5.866 7.430 1.775 1.00 10.00 N ATOM 822 CA SER A 55 7.249 6.993 1.646 1.00 10.00 C ATOM 823 C SER A 55 7.543 5.839 2.603 1.00 10.00 C ATOM 824 O SER A 55 8.237 4.890 2.223 1.00 10.00 O ATOM 825 CB SER A 55 8.196 8.171 1.889 1.00 10.00 C ATOM 826 OG SER A 55 7.984 9.154 0.894 1.00 10.00 O ATOM 0 H SER A 55 5.763 8.357 2.187 1.00 10.00 H new ATOM 0 HA SER A 55 7.410 6.628 0.632 1.00 10.00 H new ATOM 0 HB2 SER A 55 8.022 8.595 2.878 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.231 7.831 1.866 1.00 10.00 H new ATOM 0 HG SER A 55 8.588 9.911 1.048 1.00 10.00 H new ATOM 832 N ASP A 56 7.018 5.935 3.827 1.00 10.00 N ATOM 833 CA ASP A 56 7.140 4.888 4.830 1.00 10.00 C ATOM 834 C ASP A 56 6.552 3.590 4.279 1.00 10.00 C ATOM 835 O ASP A 56 7.257 2.596 4.112 1.00 10.00 O ATOM 836 CB ASP A 56 6.422 5.321 6.112 1.00 10.00 C ATOM 837 CG ASP A 56 6.589 4.292 7.219 1.00 10.00 C ATOM 838 OD1 ASP A 56 5.993 3.205 7.076 1.00 10.00 O ATOM 839 OD2 ASP A 56 7.296 4.629 8.190 1.00 10.00 O ATOM 0 H ASP A 56 6.494 6.749 4.147 1.00 10.00 H new ATOM 0 HA ASP A 56 8.190 4.717 5.069 1.00 10.00 H new ATOM 0 HB2 ASP A 56 6.816 6.281 6.444 1.00 10.00 H new ATOM 0 HB3 ASP A 56 5.362 5.466 5.905 1.00 10.00 H new ATOM 844 N LEU A 57 5.267 3.617 3.923 1.00 10.00 N ATOM 845 CA LEU A 57 4.561 2.398 3.560 1.00 10.00 C ATOM 846 C LEU A 57 5.145 1.787 2.281 1.00 10.00 C ATOM 847 O LEU A 57 5.350 0.575 2.207 1.00 10.00 O ATOM 848 CB LEU A 57 3.043 2.622 3.560 1.00 10.00 C ATOM 849 CG LEU A 57 2.544 3.612 2.499 1.00 10.00 C ATOM 850 CD1 LEU A 57 2.237 2.905 1.172 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.330 4.402 3.016 1.00 10.00 C ATOM 0 H LEU A 57 4.702 4.465 3.880 1.00 10.00 H new ATOM 0 HA LEU A 57 4.721 1.635 4.322 1.00 10.00 H new ATOM 0 HB2 LEU A 57 2.547 1.664 3.406 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.742 2.982 4.544 1.00 10.00 H new ATOM 0 HG LEU A 57 3.344 4.325 2.303 1.00 10.00 H new ATOM 0 HD11 LEU A 57 1.886 3.636 0.443 1.00 10.00 H new ATOM 0 HD12 LEU A 57 3.141 2.425 0.798 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.465 2.152 1.331 1.00 10.00 H new ATOM 0 HD21 LEU A 57 0.994 5.097 2.247 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.523 3.711 3.258 1.00 10.00 H new ATOM 0 HD23 LEU A 57 1.612 4.958 3.910 1.00 10.00 H new ATOM 863 N LYS A 58 5.509 2.624 1.301 1.00 10.00 N ATOM 864 CA LYS A 58 6.371 2.226 0.205 1.00 10.00 C ATOM 865 C LYS A 58 7.564 1.386 0.653 1.00 10.00 C ATOM 866 O LYS A 58 7.847 0.389 0.003 1.00 10.00 O ATOM 867 CB LYS A 58 6.764 3.487 -0.572 1.00 10.00 C ATOM 868 CG LYS A 58 7.571 3.278 -1.852 1.00 10.00 C ATOM 869 CD LYS A 58 9.078 3.006 -1.724 1.00 10.00 C ATOM 870 CE LYS A 58 9.894 4.070 -0.967 1.00 10.00 C ATOM 871 NZ LYS A 58 9.975 3.834 0.493 1.00 10.00 N ATOM 0 H LYS A 58 5.207 3.597 1.255 1.00 10.00 H new ATOM 0 HA LYS A 58 5.827 1.555 -0.460 1.00 10.00 H new ATOM 0 HB2 LYS A 58 5.853 4.027 -0.828 1.00 10.00 H new ATOM 0 HB3 LYS A 58 7.340 4.131 0.093 1.00 10.00 H new ATOM 0 HG2 LYS A 58 7.127 2.443 -2.393 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.444 4.164 -2.474 1.00 10.00 H new ATOM 0 HD2 LYS A 58 9.213 2.048 -1.222 1.00 10.00 H new ATOM 0 HD3 LYS A 58 9.495 2.902 -2.726 1.00 10.00 H new ATOM 0 HE2 LYS A 58 10.903 4.100 -1.377 1.00 10.00 H new ATOM 0 HE3 LYS A 58 9.449 5.049 -1.143 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 10.741 4.410 0.896 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 9.073 4.098 0.938 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 10.168 2.828 0.672 1.00 10.00 H new ATOM 885 N GLU A 59 8.285 1.754 1.718 1.00 10.00 N ATOM 886 CA GLU A 59 9.425 0.973 2.173 1.00 10.00 C ATOM 887 C GLU A 59 9.003 -0.447 2.545 1.00 10.00 C ATOM 888 O GLU A 59 9.689 -1.407 2.209 1.00 10.00 O ATOM 889 CB GLU A 59 10.094 1.693 3.347 1.00 10.00 C ATOM 890 CG GLU A 59 11.590 1.351 3.465 1.00 10.00 C ATOM 891 CD GLU A 59 11.931 0.330 4.554 1.00 10.00 C ATOM 892 OE1 GLU A 59 11.307 0.391 5.632 1.00 10.00 O ATOM 893 OE2 GLU A 59 12.841 -0.495 4.311 1.00 10.00 O ATOM 0 H GLU A 59 8.095 2.587 2.275 1.00 10.00 H new ATOM 0 HA GLU A 59 10.149 0.883 1.363 1.00 10.00 H new ATOM 0 HB2 GLU A 59 9.978 2.770 3.224 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.587 1.422 4.273 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.938 0.968 2.506 1.00 10.00 H new ATOM 0 HG3 GLU A 59 12.144 2.269 3.661 1.00 10.00 H new ATOM 900 N ALA A 60 7.850 -0.594 3.201 1.00 10.00 N ATOM 901 CA ALA A 60 7.346 -1.911 3.568 1.00 10.00 C ATOM 902 C ALA A 60 7.239 -2.801 2.322 1.00 10.00 C ATOM 903 O ALA A 60 7.731 -3.932 2.313 1.00 10.00 O ATOM 904 CB ALA A 60 6.013 -1.784 4.311 1.00 10.00 C ATOM 0 H ALA A 60 7.253 0.182 3.486 1.00 10.00 H new ATOM 0 HA ALA A 60 8.047 -2.391 4.251 1.00 10.00 H new ATOM 0 HB1 ALA A 60 5.649 -2.776 4.578 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.156 -1.194 5.216 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.284 -1.291 3.668 1.00 10.00 H new ATOM 910 N VAL A 61 6.614 -2.277 1.264 1.00 10.00 N ATOM 911 CA VAL A 61 6.510 -2.979 -0.014 1.00 10.00 C ATOM 912 C VAL A 61 7.874 -3.167 -0.705 1.00 10.00 C ATOM 913 O VAL A 61 8.188 -4.256 -1.190 1.00 10.00 O ATOM 914 CB VAL A 61 5.465 -2.303 -0.913 1.00 10.00 C ATOM 915 CG1 VAL A 61 5.255 -3.157 -2.170 1.00 10.00 C ATOM 916 CG2 VAL A 61 4.123 -2.174 -0.178 1.00 10.00 C ATOM 0 H VAL A 61 6.169 -1.359 1.271 1.00 10.00 H new ATOM 0 HA VAL A 61 6.160 -3.991 0.189 1.00 10.00 H new ATOM 0 HB VAL A 61 5.824 -1.309 -1.180 1.00 10.00 H new ATOM 0 HG11 VAL A 61 4.514 -2.682 -2.813 1.00 10.00 H new ATOM 0 HG12 VAL A 61 6.198 -3.248 -2.709 1.00 10.00 H new ATOM 0 HG13 VAL A 61 4.904 -4.148 -1.882 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.395 -1.693 -0.831 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.763 -3.165 0.098 1.00 10.00 H new ATOM 0 HG23 VAL A 61 4.257 -1.573 0.721 1.00 10.00 H new ATOM 926 N ASP A 62 8.708 -2.128 -0.711 1.00 10.00 N ATOM 927 CA ASP A 62 10.047 -2.173 -1.286 1.00 10.00 C ATOM 928 C ASP A 62 10.810 -3.353 -0.684 1.00 10.00 C ATOM 929 O ASP A 62 11.434 -4.146 -1.384 1.00 10.00 O ATOM 930 CB ASP A 62 10.750 -0.841 -0.998 1.00 10.00 C ATOM 931 CG ASP A 62 11.962 -0.616 -1.885 1.00 10.00 C ATOM 932 OD1 ASP A 62 11.734 -0.274 -3.066 1.00 10.00 O ATOM 933 OD2 ASP A 62 13.085 -0.726 -1.350 1.00 10.00 O ATOM 0 H ASP A 62 8.467 -1.221 -0.311 1.00 10.00 H new ATOM 0 HA ASP A 62 10.004 -2.314 -2.366 1.00 10.00 H new ATOM 0 HB2 ASP A 62 10.043 -0.023 -1.141 1.00 10.00 H new ATOM 0 HB3 ASP A 62 11.060 -0.816 0.047 1.00 10.00 H new ATOM 938 N LYS A 63 10.680 -3.499 0.637 1.00 10.00 N ATOM 939 CA LYS A 63 11.386 -4.481 1.431 1.00 10.00 C ATOM 940 C LYS A 63 10.728 -5.860 1.337 1.00 10.00 C ATOM 941 O LYS A 63 11.431 -6.863 1.423 1.00 10.00 O ATOM 942 CB LYS A 63 11.495 -3.970 2.872 1.00 10.00 C ATOM 943 CG LYS A 63 12.748 -4.518 3.563 1.00 10.00 C ATOM 944 CD LYS A 63 12.807 -4.015 5.013 1.00 10.00 C ATOM 945 CE LYS A 63 14.220 -3.586 5.427 1.00 10.00 C ATOM 946 NZ LYS A 63 14.611 -2.311 4.787 1.00 10.00 N ATOM 0 H LYS A 63 10.057 -2.912 1.192 1.00 10.00 H new ATOM 0 HA LYS A 63 12.394 -4.614 1.038 1.00 10.00 H new ATOM 0 HB2 LYS A 63 11.524 -2.880 2.873 1.00 10.00 H new ATOM 0 HB3 LYS A 63 10.609 -4.266 3.433 1.00 10.00 H new ATOM 0 HG2 LYS A 63 12.736 -5.608 3.547 1.00 10.00 H new ATOM 0 HG3 LYS A 63 13.640 -4.201 3.022 1.00 10.00 H new ATOM 0 HD2 LYS A 63 12.126 -3.172 5.130 1.00 10.00 H new ATOM 0 HD3 LYS A 63 12.459 -4.802 5.682 1.00 10.00 H new ATOM 0 HE2 LYS A 63 14.266 -3.479 6.511 1.00 10.00 H new ATOM 0 HE3 LYS A 63 14.932 -4.365 5.153 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 15.099 -1.709 5.481 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 15.248 -2.505 3.988 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 13.761 -1.821 4.441 1.00 10.00 H new ATOM 960 N LEU A 64 9.402 -5.946 1.146 1.00 10.00 N ATOM 961 CA LEU A 64 8.791 -7.183 0.676 1.00 10.00 C ATOM 962 C LEU A 64 9.488 -7.711 -0.586 1.00 10.00 C ATOM 963 O LEU A 64 9.602 -8.924 -0.744 1.00 10.00 O ATOM 964 CB LEU A 64 7.305 -6.963 0.385 1.00 10.00 C ATOM 965 CG LEU A 64 6.402 -7.054 1.615 1.00 10.00 C ATOM 966 CD1 LEU A 64 5.079 -6.351 1.299 1.00 10.00 C ATOM 967 CD2 LEU A 64 6.161 -8.517 1.993 1.00 10.00 C ATOM 0 H LEU A 64 8.747 -5.181 1.309 1.00 10.00 H new ATOM 0 HA LEU A 64 8.903 -7.926 1.466 1.00 10.00 H new ATOM 0 HB2 LEU A 64 7.178 -5.982 -0.073 1.00 10.00 H new ATOM 0 HB3 LEU A 64 6.977 -7.701 -0.347 1.00 10.00 H new ATOM 0 HG LEU A 64 6.881 -6.568 2.465 1.00 10.00 H new ATOM 0 HD11 LEU A 64 4.421 -6.406 2.167 1.00 10.00 H new ATOM 0 HD12 LEU A 64 5.271 -5.306 1.055 1.00 10.00 H new ATOM 0 HD13 LEU A 64 4.601 -6.840 0.450 1.00 10.00 H new ATOM 0 HD21 LEU A 64 5.516 -8.565 2.871 1.00 10.00 H new ATOM 0 HD22 LEU A 64 5.681 -9.033 1.162 1.00 10.00 H new ATOM 0 HD23 LEU A 64 7.114 -8.997 2.216 1.00 10.00 H new ATOM 979 N GLY A 65 9.944 -6.814 -1.467 1.00 10.00 N ATOM 980 CA GLY A 65 10.820 -7.166 -2.580 1.00 10.00 C ATOM 981 C GLY A 65 10.173 -6.928 -3.940 1.00 10.00 C ATOM 982 O GLY A 65 10.517 -7.599 -4.911 1.00 10.00 O ATOM 0 H GLY A 65 9.713 -5.821 -1.424 1.00 10.00 H new ATOM 0 HA2 GLY A 65 11.738 -6.582 -2.512 1.00 10.00 H new ATOM 0 HA3 GLY A 65 11.103 -8.215 -2.496 1.00 10.00 H new ATOM 986 N TYR A 66 9.250 -5.969 -4.033 1.00 10.00 N ATOM 987 CA TYR A 66 8.730 -5.470 -5.296 1.00 10.00 C ATOM 988 C TYR A 66 8.448 -3.984 -5.113 1.00 10.00 C ATOM 989 O TYR A 66 8.351 -3.513 -3.985 1.00 10.00 O ATOM 990 CB TYR A 66 7.515 -6.280 -5.767 1.00 10.00 C ATOM 991 CG TYR A 66 6.719 -6.961 -4.680 1.00 10.00 C ATOM 992 CD1 TYR A 66 5.728 -6.262 -3.973 1.00 10.00 C ATOM 993 CD2 TYR A 66 7.036 -8.282 -4.318 1.00 10.00 C ATOM 994 CE1 TYR A 66 5.081 -6.878 -2.894 1.00 10.00 C ATOM 995 CE2 TYR A 66 6.376 -8.898 -3.247 1.00 10.00 C ATOM 996 CZ TYR A 66 5.383 -8.201 -2.541 1.00 10.00 C ATOM 997 OH TYR A 66 4.748 -8.790 -1.488 1.00 10.00 O ATOM 0 H TYR A 66 8.840 -5.514 -3.217 1.00 10.00 H new ATOM 0 HA TYR A 66 9.458 -5.593 -6.098 1.00 10.00 H new ATOM 0 HB2 TYR A 66 6.849 -5.615 -6.316 1.00 10.00 H new ATOM 0 HB3 TYR A 66 7.858 -7.039 -6.470 1.00 10.00 H new ATOM 0 HD1 TYR A 66 5.466 -5.254 -4.260 1.00 10.00 H new ATOM 0 HD2 TYR A 66 7.791 -8.824 -4.868 1.00 10.00 H new ATOM 0 HE1 TYR A 66 4.343 -6.329 -2.329 1.00 10.00 H new ATOM 0 HE2 TYR A 66 6.631 -9.909 -2.965 1.00 10.00 H new ATOM 0 HH TYR A 66 5.074 -9.708 -1.381 1.00 10.00 H new ATOM 1007 N LYS A 67 8.395 -3.234 -6.212 1.00 10.00 N ATOM 1008 CA LYS A 67 8.429 -1.786 -6.161 1.00 10.00 C ATOM 1009 C LYS A 67 7.003 -1.239 -6.109 1.00 10.00 C ATOM 1010 O LYS A 67 6.149 -1.630 -6.907 1.00 10.00 O ATOM 1011 CB LYS A 67 9.267 -1.194 -7.310 1.00 10.00 C ATOM 1012 CG LYS A 67 9.620 -2.130 -8.473 1.00 10.00 C ATOM 1013 CD LYS A 67 10.186 -1.334 -9.659 1.00 10.00 C ATOM 1014 CE LYS A 67 10.567 -2.226 -10.852 1.00 10.00 C ATOM 1015 NZ LYS A 67 11.900 -2.839 -10.720 1.00 10.00 N ATOM 0 H LYS A 67 8.328 -3.617 -7.155 1.00 10.00 H new ATOM 0 HA LYS A 67 8.934 -1.472 -5.247 1.00 10.00 H new ATOM 0 HB2 LYS A 67 8.727 -0.339 -7.716 1.00 10.00 H new ATOM 0 HB3 LYS A 67 10.197 -0.813 -6.888 1.00 10.00 H new ATOM 0 HG2 LYS A 67 10.350 -2.869 -8.143 1.00 10.00 H new ATOM 0 HG3 LYS A 67 8.732 -2.678 -8.787 1.00 10.00 H new ATOM 0 HD2 LYS A 67 9.448 -0.600 -9.982 1.00 10.00 H new ATOM 0 HD3 LYS A 67 11.065 -0.779 -9.331 1.00 10.00 H new ATOM 0 HE2 LYS A 67 9.822 -3.014 -10.960 1.00 10.00 H new ATOM 0 HE3 LYS A 67 10.537 -1.632 -11.765 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 12.096 -3.427 -11.555 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 12.620 -2.092 -10.646 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 11.927 -3.432 -9.866 1.00 10.00 H new ATOM 1029 N LEU A 68 6.772 -0.327 -5.158 1.00 10.00 N ATOM 1030 CA LEU A 68 5.551 0.436 -4.993 1.00 10.00 C ATOM 1031 C LEU A 68 5.920 1.891 -5.246 1.00 10.00 C ATOM 1032 O LEU A 68 7.019 2.319 -4.882 1.00 10.00 O ATOM 1033 CB LEU A 68 5.082 0.277 -3.541 1.00 10.00 C ATOM 1034 CG LEU A 68 3.712 0.906 -3.248 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.593 -0.044 -3.666 1.00 10.00 C ATOM 1036 CD2 LEU A 68 3.537 1.313 -1.788 1.00 10.00 C ATOM 0 H LEU A 68 7.472 -0.097 -4.453 1.00 10.00 H new ATOM 0 HA LEU A 68 4.762 0.106 -5.668 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.041 -0.785 -3.299 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.824 0.726 -2.880 1.00 10.00 H new ATOM 0 HG LEU A 68 3.659 1.822 -3.837 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.628 0.415 -3.453 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.669 -0.249 -4.734 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.682 -0.978 -3.110 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.548 1.750 -1.648 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.639 0.435 -1.151 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.299 2.045 -1.521 1.00 10.00 H new ATOM 1048 N LYS A 69 5.002 2.671 -5.807 1.00 10.00 N ATOM 1049 CA LYS A 69 5.136 4.107 -5.876 1.00 10.00 C ATOM 1050 C LYS A 69 3.755 4.731 -5.930 1.00 10.00 C ATOM 1051 O LYS A 69 2.837 4.090 -6.424 1.00 10.00 O ATOM 1052 CB LYS A 69 5.967 4.475 -7.112 1.00 10.00 C ATOM 1053 CG LYS A 69 6.669 5.818 -6.935 1.00 10.00 C ATOM 1054 CD LYS A 69 7.526 5.779 -5.661 1.00 10.00 C ATOM 1055 CE LYS A 69 8.759 6.678 -5.832 1.00 10.00 C ATOM 1056 NZ LYS A 69 9.632 6.671 -4.641 1.00 10.00 N ATOM 0 H LYS A 69 4.143 2.315 -6.226 1.00 10.00 H new ATOM 0 HA LYS A 69 5.650 4.489 -4.994 1.00 10.00 H new ATOM 0 HB2 LYS A 69 6.708 3.698 -7.298 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.320 4.514 -7.988 1.00 10.00 H new ATOM 0 HG2 LYS A 69 7.295 6.031 -7.802 1.00 10.00 H new ATOM 0 HG3 LYS A 69 5.934 6.620 -6.868 1.00 10.00 H new ATOM 0 HD2 LYS A 69 6.938 6.113 -4.806 1.00 10.00 H new ATOM 0 HD3 LYS A 69 7.838 4.755 -5.453 1.00 10.00 H new ATOM 0 HE2 LYS A 69 9.330 6.346 -6.699 1.00 10.00 H new ATOM 0 HE3 LYS A 69 8.435 7.699 -6.036 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 10.449 7.292 -4.806 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 9.098 7.013 -3.817 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 9.964 5.702 -4.460 1.00 10.00 H new ATOM 1070 N LEU A 70 3.603 5.950 -5.403 1.00 10.00 N ATOM 1071 CA LEU A 70 2.323 6.645 -5.447 1.00 10.00 C ATOM 1072 C LEU A 70 1.931 6.891 -6.904 1.00 10.00 C ATOM 1073 O LEU A 70 2.784 6.966 -7.787 1.00 10.00 O ATOM 1074 CB LEU A 70 2.408 7.991 -4.718 1.00 10.00 C ATOM 1075 CG LEU A 70 1.076 8.574 -4.218 1.00 10.00 C ATOM 1076 CD1 LEU A 70 0.590 7.830 -2.973 1.00 10.00 C ATOM 1077 CD2 LEU A 70 1.282 10.048 -3.854 1.00 10.00 C ATOM 0 H LEU A 70 4.351 6.470 -4.944 1.00 10.00 H new ATOM 0 HA LEU A 70 1.575 6.025 -4.953 1.00 10.00 H new ATOM 0 HB2 LEU A 70 3.075 7.877 -3.863 1.00 10.00 H new ATOM 0 HB3 LEU A 70 2.870 8.716 -5.388 1.00 10.00 H new ATOM 0 HG LEU A 70 0.333 8.469 -5.008 1.00 10.00 H new ATOM 0 HD11 LEU A 70 -0.354 8.260 -2.637 1.00 10.00 H new ATOM 0 HD12 LEU A 70 0.444 6.777 -3.212 1.00 10.00 H new ATOM 0 HD13 LEU A 70 1.333 7.922 -2.181 1.00 10.00 H new ATOM 0 HD21 LEU A 70 0.342 10.470 -3.498 1.00 10.00 H new ATOM 0 HD22 LEU A 70 2.035 10.127 -3.070 1.00 10.00 H new ATOM 0 HD23 LEU A 70 1.616 10.597 -4.735 1.00 10.00 H new ATOM 1089 N LYS A 71 0.632 7.057 -7.115 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.002 7.325 -8.387 1.00 10.00 C ATOM 1091 C LYS A 71 -0.672 8.697 -8.294 1.00 10.00 C ATOM 1092 O LYS A 71 -0.263 9.626 -8.984 1.00 10.00 O ATOM 1093 CB LYS A 71 -0.953 6.153 -8.656 1.00 10.00 C ATOM 1094 CG LYS A 71 -2.065 6.435 -9.662 1.00 10.00 C ATOM 1095 CD LYS A 71 -2.812 5.118 -9.914 1.00 10.00 C ATOM 1096 CE LYS A 71 -4.217 5.351 -10.482 1.00 10.00 C ATOM 1097 NZ LYS A 71 -5.030 4.122 -10.396 1.00 10.00 N ATOM 0 H LYS A 71 -0.043 7.004 -6.352 1.00 10.00 H new ATOM 0 HA LYS A 71 0.683 7.383 -9.233 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.368 5.306 -9.014 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -1.407 5.851 -7.712 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -2.746 7.193 -9.276 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.650 6.823 -10.592 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -2.238 4.503 -10.608 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -2.887 4.560 -8.981 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -4.707 6.155 -9.933 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -4.145 5.672 -11.521 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -6.030 4.355 -10.559 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -4.711 3.443 -11.117 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -4.923 3.700 -9.452 1.00 10.00 H new ATOM 1111 N GLY A 72 -1.675 8.836 -7.420 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.319 10.122 -7.165 1.00 10.00 C ATOM 1113 C GLY A 72 -3.755 9.964 -6.671 1.00 10.00 C ATOM 1114 O GLY A 72 -4.654 10.611 -7.200 1.00 10.00 O ATOM 0 H GLY A 72 -2.058 8.064 -6.875 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -1.741 10.674 -6.424 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -2.315 10.715 -8.079 1.00 10.00 H new ATOM 1118 N GLU A 73 -3.939 9.125 -5.644 1.00 10.00 N ATOM 1119 CA GLU A 73 -5.205 8.905 -4.952 1.00 10.00 C ATOM 1120 C GLU A 73 -6.244 8.222 -5.856 1.00 10.00 C ATOM 1121 O GLU A 73 -6.108 8.196 -7.077 1.00 10.00 O ATOM 1122 CB GLU A 73 -5.723 10.207 -4.314 1.00 10.00 C ATOM 1123 CG GLU A 73 -4.605 11.021 -3.633 1.00 10.00 C ATOM 1124 CD GLU A 73 -5.133 12.285 -2.962 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -6.326 12.292 -2.591 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -4.322 13.230 -2.852 1.00 10.00 O ATOM 0 H GLU A 73 -3.179 8.562 -5.262 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.022 8.208 -4.134 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -6.197 10.819 -5.081 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -6.491 9.966 -3.579 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -4.108 10.399 -2.889 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -3.854 11.293 -4.375 1.00 10.00 H new ATOM 1133 N GLN A 74 -7.266 7.606 -5.251 1.00 10.00 N ATOM 1134 CA GLN A 74 -8.392 7.058 -6.003 1.00 10.00 C ATOM 1135 C GLN A 74 -9.376 8.170 -6.369 1.00 10.00 C ATOM 1136 O GLN A 74 -9.914 8.172 -7.473 1.00 10.00 O ATOM 1137 CB GLN A 74 -9.106 5.950 -5.206 1.00 10.00 C ATOM 1138 CG GLN A 74 -8.670 4.532 -5.622 1.00 10.00 C ATOM 1139 CD GLN A 74 -9.795 3.498 -5.519 1.00 10.00 C ATOM 1140 OE1 GLN A 74 -10.972 3.818 -5.681 1.00 10.00 O ATOM 1141 NE2 GLN A 74 -9.450 2.239 -5.260 1.00 10.00 N ATOM 0 H GLN A 74 -7.333 7.476 -4.242 1.00 10.00 H new ATOM 0 HA GLN A 74 -8.003 6.615 -6.920 1.00 10.00 H new ATOM 0 HB2 GLN A 74 -8.906 6.088 -4.143 1.00 10.00 H new ATOM 0 HB3 GLN A 74 -10.183 6.048 -5.343 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -8.303 4.559 -6.648 1.00 10.00 H new ATOM 0 HG3 GLN A 74 -7.837 4.216 -4.994 1.00 10.00 H new ATOM 0 HE21 GLN A 74 -8.468 1.996 -5.129 1.00 10.00 H new ATOM 0 HE22 GLN A 74 -10.168 1.517 -5.192 1.00 10.00 H new ATOM 1150 N ASP A 75 -9.622 9.074 -5.417 1.00 10.00 N ATOM 1151 CA ASP A 75 -10.650 10.106 -5.480 1.00 10.00 C ATOM 1152 C ASP A 75 -12.024 9.488 -5.773 1.00 10.00 C ATOM 1153 O ASP A 75 -12.635 9.713 -6.816 1.00 10.00 O ATOM 1154 CB ASP A 75 -10.251 11.222 -6.454 1.00 10.00 C ATOM 1155 CG ASP A 75 -11.099 12.476 -6.262 1.00 10.00 C ATOM 1156 OD1 ASP A 75 -12.044 12.421 -5.442 1.00 10.00 O ATOM 1157 OD2 ASP A 75 -10.765 13.483 -6.922 1.00 10.00 O ATOM 0 H ASP A 75 -9.087 9.105 -4.549 1.00 10.00 H new ATOM 0 HA ASP A 75 -10.737 10.584 -4.504 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -9.199 11.470 -6.311 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -10.358 10.865 -7.478 1.00 10.00 H new ATOM 1162 N SER A 76 -12.488 8.668 -4.822 1.00 10.00 N ATOM 1163 CA SER A 76 -13.738 7.920 -4.906 1.00 10.00 C ATOM 1164 C SER A 76 -14.578 8.159 -3.646 1.00 10.00 C ATOM 1165 O SER A 76 -15.123 7.206 -3.092 1.00 10.00 O ATOM 1166 CB SER A 76 -13.429 6.419 -5.062 1.00 10.00 C ATOM 1167 OG SER A 76 -12.540 6.174 -6.136 1.00 10.00 O ATOM 0 H SER A 76 -11.986 8.505 -3.949 1.00 10.00 H new ATOM 0 HA SER A 76 -14.305 8.261 -5.772 1.00 10.00 H new ATOM 0 HB2 SER A 76 -12.995 6.039 -4.137 1.00 10.00 H new ATOM 0 HB3 SER A 76 -14.357 5.872 -5.227 1.00 10.00 H new ATOM 0 HG SER A 76 -12.076 5.324 -5.989 1.00 10.00 H new ATOM 1173 N ILE A 77 -14.639 9.408 -3.164 1.00 10.00 N ATOM 1174 CA ILE A 77 -15.401 9.778 -1.969 1.00 10.00 C ATOM 1175 C ILE A 77 -16.690 10.488 -2.422 1.00 10.00 C ATOM 1176 O ILE A 77 -17.329 10.027 -3.365 1.00 10.00 O ATOM 1177 CB ILE A 77 -14.505 10.565 -0.973 1.00 10.00 C ATOM 1178 CG1 ILE A 77 -13.107 9.930 -0.811 1.00 10.00 C ATOM 1179 CG2 ILE A 77 -15.139 10.684 0.431 1.00 10.00 C ATOM 1180 CD1 ILE A 77 -13.134 8.505 -0.247 1.00 10.00 C ATOM 0 H ILE A 77 -14.156 10.195 -3.598 1.00 10.00 H new ATOM 0 HA ILE A 77 -15.718 8.906 -1.397 1.00 10.00 H new ATOM 0 HB ILE A 77 -14.409 11.558 -1.413 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -12.610 9.917 -1.781 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -12.507 10.559 -0.154 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -14.471 11.243 1.086 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -16.093 11.205 0.356 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -15.301 9.688 0.843 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -12.115 8.128 -0.163 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -13.601 8.512 0.738 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -13.706 7.860 -0.915 1.00 10.00 H new ATOM 1192 N GLU A 78 -17.067 11.596 -1.779 1.00 10.00 N ATOM 1193 CA GLU A 78 -18.259 12.389 -2.034 1.00 10.00 C ATOM 1194 C GLU A 78 -17.988 13.778 -1.445 1.00 10.00 C ATOM 1195 O GLU A 78 -16.921 14.000 -0.868 1.00 10.00 O ATOM 1196 CB GLU A 78 -19.501 11.731 -1.399 1.00 10.00 C ATOM 1197 CG GLU A 78 -20.441 11.167 -2.472 1.00 10.00 C ATOM 1198 CD GLU A 78 -21.699 10.577 -1.849 1.00 10.00 C ATOM 1199 OE1 GLU A 78 -21.605 9.434 -1.352 1.00 10.00 O ATOM 1200 OE2 GLU A 78 -22.725 11.290 -1.868 1.00 10.00 O ATOM 0 H GLU A 78 -16.508 11.983 -1.019 1.00 10.00 H new ATOM 0 HA GLU A 78 -18.469 12.461 -3.101 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -19.189 10.930 -0.729 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -20.034 12.464 -0.794 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -20.715 11.957 -3.171 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -19.922 10.399 -3.046 1.00 10.00 H new ATOM 1207 N GLY A 79 -18.936 14.704 -1.607 1.00 10.00 N ATOM 1208 CA GLY A 79 -18.828 16.061 -1.093 1.00 10.00 C ATOM 1209 C GLY A 79 -19.175 16.139 0.397 1.00 10.00 C ATOM 1210 O GLY A 79 -19.108 15.140 1.113 1.00 10.00 O ATOM 0 H GLY A 79 -19.808 14.525 -2.105 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -17.814 16.428 -1.249 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -19.494 16.716 -1.655 1.00 10.00 H new ATOM 1214 N ARG A 80 -19.563 17.335 0.848 1.00 10.00 N ATOM 1215 CA ARG A 80 -20.322 17.505 2.077 1.00 10.00 C ATOM 1216 C ARG A 80 -21.798 17.504 1.692 1.00 10.00 C ATOM 1217 O ARG A 80 -22.621 17.207 2.584 1.00 10.00 O ATOM 1218 CB ARG A 80 -20.001 18.846 2.743 1.00 10.00 C ATOM 1219 CG ARG A 80 -18.540 18.991 3.181 1.00 10.00 C ATOM 1220 CD ARG A 80 -18.443 20.196 4.128 1.00 10.00 C ATOM 1221 NE ARG A 80 -17.053 20.492 4.509 1.00 10.00 N ATOM 1222 CZ ARG A 80 -16.702 21.390 5.445 1.00 10.00 C ATOM 1223 NH1 ARG A 80 -17.647 22.056 6.117 1.00 10.00 N ATOM 1224 NH2 ARG A 80 -15.409 21.622 5.703 1.00 10.00 N ATOM 1225 OXT ARG A 80 -22.068 17.854 0.520 1.00 10.00 O ATOM 0 H ARG A 80 -19.356 18.210 0.366 1.00 10.00 H new ATOM 0 HA ARG A 80 -20.073 16.706 2.775 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -20.243 19.651 2.050 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -20.645 18.971 3.614 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -18.201 18.084 3.683 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -17.895 19.135 2.314 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -18.880 21.071 3.646 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -19.030 19.999 5.025 1.00 10.00 H new ATOM 0 HE ARG A 80 -16.308 19.983 4.032 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -18.632 21.882 5.919 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -17.383 22.738 6.828 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -14.688 21.117 5.189 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -15.145 22.304 6.414 1.00 10.00 H new TER 1239 ARG A 80