USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 513 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 27 THR OG1 : rot -63:sc= 0.559 USER MOD Set 1.2: A 30 GLN : amide:sc= 0.921 K(o=1.5,f=-0.86!) USER MOD Single : A 21 HIS : no HD1:sc= -0.0331 X(o=-0.033,f=0) USER MOD Single : A 24 THR OG1 : rot 85:sc= 0.325 USER MOD Single : A 35 LYS NZ :NH3+ -155:sc= 1.06 (180deg=0.716) USER MOD Single : A 37 TYR OH : rot -129:sc= 0.0697 USER MOD Single : A 43 THR OG1 : rot 45:sc= 0.16 USER MOD Single : A 47 ASN :FLIP amide:sc= -0.29 F(o=-1.8,f=-0.29) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 10:sc= 0.394 USER MOD Single : A 67 SER OG : rot 160:sc= -0.0375 USER MOD Single : A 69 TYR OH : rot 180:sc=-0.00101 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 66:sc= 0.471 USER MOD Single : A 78 ASN : amide:sc= 0.371 K(o=0.37,f=-2.7!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -1.4 K(o=-1.4,f=-7.3!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -154:sc= 1.26 (180deg=-0.291) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 21 3.906 -0.816 -1.015 1.00 0.00 N ATOM 2 CA HIS A 21 2.460 -0.504 -1.172 1.00 0.00 C ATOM 3 C HIS A 21 1.794 -1.608 -2.008 1.00 0.00 C ATOM 4 O HIS A 21 0.923 -2.338 -1.522 1.00 0.00 O ATOM 5 CB HIS A 21 2.257 0.903 -1.823 1.00 0.00 C ATOM 6 CG HIS A 21 2.676 2.083 -0.969 1.00 0.00 C ATOM 7 ND1 HIS A 21 2.039 3.313 -1.011 1.00 0.00 N ATOM 8 CD2 HIS A 21 3.671 2.225 -0.056 1.00 0.00 C ATOM 9 CE1 HIS A 21 2.632 4.149 -0.178 1.00 0.00 C ATOM 10 NE2 HIS A 21 3.621 3.513 0.416 1.00 0.00 N ATOM 0 HA HIS A 21 1.990 -0.471 -0.189 1.00 0.00 H new ATOM 0 HB2 HIS A 21 2.817 0.936 -2.758 1.00 0.00 H new ATOM 0 HB3 HIS A 21 1.204 1.017 -2.078 1.00 0.00 H new ATOM 0 HD2 HIS A 21 4.374 1.463 0.244 1.00 0.00 H new ATOM 0 HE1 HIS A 21 2.353 5.179 -0.012 1.00 0.00 H new ATOM 0 HE2 HIS A 21 4.248 3.913 1.114 1.00 0.00 H new ATOM 19 N ALA A 22 2.242 -1.718 -3.265 1.00 0.00 N ATOM 20 CA ALA A 22 1.834 -2.765 -4.217 1.00 0.00 C ATOM 21 C ALA A 22 2.768 -2.685 -5.435 1.00 0.00 C ATOM 22 O ALA A 22 3.015 -1.580 -5.942 1.00 0.00 O ATOM 23 CB ALA A 22 0.357 -2.619 -4.642 1.00 0.00 C ATOM 0 H ALA A 22 2.917 -1.064 -3.661 1.00 0.00 H new ATOM 0 HA ALA A 22 1.916 -3.741 -3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.100 -3.412 -5.344 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.283 -2.691 -3.763 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.210 -1.650 -5.119 1.00 0.00 H new ATOM 29 N ALA A 23 3.304 -3.840 -5.876 1.00 0.00 N ATOM 30 CA ALA A 23 4.188 -3.912 -7.053 1.00 0.00 C ATOM 31 C ALA A 23 3.426 -3.460 -8.310 1.00 0.00 C ATOM 32 O ALA A 23 2.257 -3.828 -8.485 1.00 0.00 O ATOM 33 CB ALA A 23 4.737 -5.334 -7.232 1.00 0.00 C ATOM 0 H ALA A 23 3.137 -4.742 -5.430 1.00 0.00 H new ATOM 0 HA ALA A 23 5.034 -3.242 -6.898 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.387 -5.366 -8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.305 -5.619 -6.347 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.909 -6.029 -7.370 1.00 0.00 H new ATOM 39 N THR A 24 4.089 -2.651 -9.154 1.00 0.00 N ATOM 40 CA THR A 24 3.493 -2.097 -10.389 1.00 0.00 C ATOM 41 C THR A 24 3.104 -3.228 -11.359 1.00 0.00 C ATOM 42 O THR A 24 3.873 -4.177 -11.547 1.00 0.00 O ATOM 43 CB THR A 24 4.497 -1.126 -11.104 1.00 0.00 C ATOM 44 OG1 THR A 24 4.999 -0.172 -10.156 1.00 0.00 O ATOM 45 CG2 THR A 24 3.859 -0.378 -12.292 1.00 0.00 C ATOM 0 H THR A 24 5.055 -2.360 -9.002 1.00 0.00 H new ATOM 0 HA THR A 24 2.599 -1.542 -10.105 1.00 0.00 H new ATOM 0 HB THR A 24 5.307 -1.737 -11.502 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.764 -0.556 -9.679 1.00 0.00 H new ATOM 0 HG21 THR A 24 4.599 0.279 -12.748 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.510 -1.099 -13.031 1.00 0.00 H new ATOM 0 HG23 THR A 24 3.016 0.216 -11.938 1.00 0.00 H new ATOM 53 N GLU A 25 1.902 -3.140 -11.953 1.00 0.00 N ATOM 54 CA GLU A 25 1.460 -4.114 -12.954 1.00 0.00 C ATOM 55 C GLU A 25 2.249 -3.885 -14.245 1.00 0.00 C ATOM 56 O GLU A 25 2.179 -2.804 -14.832 1.00 0.00 O ATOM 57 CB GLU A 25 -0.062 -3.996 -13.200 1.00 0.00 C ATOM 58 CG GLU A 25 -0.672 -5.146 -14.025 1.00 0.00 C ATOM 59 CD GLU A 25 -2.205 -5.065 -14.133 1.00 0.00 C ATOM 60 OE1 GLU A 25 -2.886 -5.290 -13.110 1.00 0.00 O ATOM 61 OE2 GLU A 25 -2.732 -4.746 -15.225 1.00 0.00 O ATOM 0 H GLU A 25 1.223 -2.405 -11.755 1.00 0.00 H new ATOM 0 HA GLU A 25 1.649 -5.124 -12.592 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.569 -3.949 -12.236 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.262 -3.054 -13.711 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.242 -5.134 -15.027 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.396 -6.097 -13.571 1.00 0.00 H new ATOM 68 N LEU A 26 3.022 -4.895 -14.650 1.00 0.00 N ATOM 69 CA LEU A 26 3.879 -4.826 -15.835 1.00 0.00 C ATOM 70 C LEU A 26 3.089 -5.331 -17.052 1.00 0.00 C ATOM 71 O LEU A 26 2.276 -6.260 -16.930 1.00 0.00 O ATOM 72 CB LEU A 26 5.172 -5.670 -15.604 1.00 0.00 C ATOM 73 CG LEU A 26 6.412 -5.255 -16.441 1.00 0.00 C ATOM 74 CD1 LEU A 26 6.932 -3.866 -16.015 1.00 0.00 C ATOM 75 CD2 LEU A 26 7.527 -6.305 -16.351 1.00 0.00 C ATOM 0 H LEU A 26 3.071 -5.789 -14.162 1.00 0.00 H new ATOM 0 HA LEU A 26 4.184 -3.796 -16.021 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.435 -5.614 -14.548 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.945 -6.714 -15.820 1.00 0.00 H new ATOM 0 HG LEU A 26 6.096 -5.194 -17.482 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.801 -3.602 -16.618 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.148 -3.123 -16.163 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.215 -3.890 -14.963 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.380 -5.982 -16.949 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.835 -6.420 -15.312 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.160 -7.259 -16.729 1.00 0.00 H new ATOM 87 N THR A 27 3.297 -4.696 -18.207 1.00 0.00 N ATOM 88 CA THR A 27 2.652 -5.087 -19.467 1.00 0.00 C ATOM 89 C THR A 27 3.585 -6.004 -20.290 1.00 0.00 C ATOM 90 O THR A 27 4.809 -5.944 -20.111 1.00 0.00 O ATOM 91 CB THR A 27 2.230 -3.826 -20.292 1.00 0.00 C ATOM 92 OG1 THR A 27 3.340 -2.931 -20.429 1.00 0.00 O ATOM 93 CG2 THR A 27 1.049 -3.087 -19.643 1.00 0.00 C ATOM 0 H THR A 27 3.919 -3.893 -18.298 1.00 0.00 H new ATOM 0 HA THR A 27 1.747 -5.647 -19.231 1.00 0.00 H new ATOM 0 HB THR A 27 1.912 -4.171 -21.276 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.608 -2.605 -19.545 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.787 -2.218 -20.247 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.191 -3.757 -19.580 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.330 -2.761 -18.641 1.00 0.00 H new ATOM 101 N PRO A 28 3.009 -6.895 -21.168 1.00 0.00 N ATOM 102 CA PRO A 28 3.779 -7.825 -22.046 1.00 0.00 C ATOM 103 C PRO A 28 4.997 -7.203 -22.777 1.00 0.00 C ATOM 104 O PRO A 28 6.038 -7.853 -22.901 1.00 0.00 O ATOM 105 CB PRO A 28 2.714 -8.298 -23.053 1.00 0.00 C ATOM 106 CG PRO A 28 1.445 -8.305 -22.262 1.00 0.00 C ATOM 107 CD PRO A 28 1.533 -7.119 -21.327 1.00 0.00 C ATOM 0 HA PRO A 28 4.243 -8.614 -21.455 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.647 -7.626 -23.908 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.946 -9.289 -23.444 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.577 -8.223 -22.916 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.338 -9.235 -21.704 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.038 -6.242 -21.746 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.055 -7.328 -20.370 1.00 0.00 H new ATOM 115 N GLU A 29 4.848 -5.949 -23.241 1.00 0.00 N ATOM 116 CA GLU A 29 5.932 -5.196 -23.922 1.00 0.00 C ATOM 117 C GLU A 29 7.157 -5.039 -23.009 1.00 0.00 C ATOM 118 O GLU A 29 8.292 -5.348 -23.398 1.00 0.00 O ATOM 119 CB GLU A 29 5.424 -3.794 -24.345 1.00 0.00 C ATOM 120 CG GLU A 29 4.355 -3.800 -25.444 1.00 0.00 C ATOM 121 CD GLU A 29 4.872 -4.349 -26.779 1.00 0.00 C ATOM 122 OE1 GLU A 29 5.753 -3.712 -27.392 1.00 0.00 O ATOM 123 OE2 GLU A 29 4.409 -5.415 -27.224 1.00 0.00 O ATOM 0 H GLU A 29 3.977 -5.425 -23.158 1.00 0.00 H new ATOM 0 HA GLU A 29 6.227 -5.762 -24.806 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.019 -3.290 -23.467 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.274 -3.204 -24.688 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.507 -4.400 -25.115 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.989 -2.784 -25.593 1.00 0.00 H new ATOM 130 N GLN A 30 6.894 -4.563 -21.784 1.00 0.00 N ATOM 131 CA GLN A 30 7.936 -4.321 -20.779 1.00 0.00 C ATOM 132 C GLN A 30 8.565 -5.658 -20.347 1.00 0.00 C ATOM 133 O GLN A 30 9.779 -5.799 -20.328 1.00 0.00 O ATOM 134 CB GLN A 30 7.328 -3.594 -19.560 1.00 0.00 C ATOM 135 CG GLN A 30 6.584 -2.283 -19.878 1.00 0.00 C ATOM 136 CD GLN A 30 5.969 -1.642 -18.629 1.00 0.00 C ATOM 137 OE1 GLN A 30 4.828 -1.929 -18.265 1.00 0.00 O ATOM 138 NE2 GLN A 30 6.714 -0.769 -17.966 1.00 0.00 N ATOM 0 H GLN A 30 5.953 -4.335 -21.463 1.00 0.00 H new ATOM 0 HA GLN A 30 8.714 -3.691 -21.210 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.637 -4.273 -19.061 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.128 -3.376 -18.852 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.276 -1.579 -20.341 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.797 -2.482 -20.606 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.656 -0.551 -18.292 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.346 -0.315 -17.130 1.00 0.00 H new ATOM 147 N ALA A 31 7.704 -6.653 -20.071 1.00 0.00 N ATOM 148 CA ALA A 31 8.117 -7.997 -19.603 1.00 0.00 C ATOM 149 C ALA A 31 8.939 -8.764 -20.661 1.00 0.00 C ATOM 150 O ALA A 31 9.739 -9.646 -20.320 1.00 0.00 O ATOM 151 CB ALA A 31 6.879 -8.801 -19.197 1.00 0.00 C ATOM 0 H ALA A 31 6.694 -6.551 -20.166 1.00 0.00 H new ATOM 0 HA ALA A 31 8.768 -7.862 -18.739 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.184 -9.789 -18.853 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.356 -8.282 -18.394 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.215 -8.904 -20.055 1.00 0.00 H new ATOM 157 N ALA A 32 8.726 -8.418 -21.942 1.00 0.00 N ATOM 158 CA ALA A 32 9.471 -8.996 -23.080 1.00 0.00 C ATOM 159 C ALA A 32 10.869 -8.357 -23.201 1.00 0.00 C ATOM 160 O ALA A 32 11.791 -8.958 -23.770 1.00 0.00 O ATOM 161 CB ALA A 32 8.672 -8.791 -24.380 1.00 0.00 C ATOM 0 H ALA A 32 8.030 -7.727 -22.221 1.00 0.00 H new ATOM 0 HA ALA A 32 9.603 -10.064 -22.906 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.224 -9.218 -25.217 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.704 -9.285 -24.294 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.522 -7.725 -24.551 1.00 0.00 H new ATOM 167 N ALA A 33 11.005 -7.126 -22.676 1.00 0.00 N ATOM 168 CA ALA A 33 12.266 -6.349 -22.717 1.00 0.00 C ATOM 169 C ALA A 33 13.112 -6.566 -21.448 1.00 0.00 C ATOM 170 O ALA A 33 14.348 -6.552 -21.502 1.00 0.00 O ATOM 171 CB ALA A 33 11.941 -4.852 -22.888 1.00 0.00 C ATOM 0 H ALA A 33 10.242 -6.636 -22.208 1.00 0.00 H new ATOM 0 HA ALA A 33 12.854 -6.700 -23.566 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.868 -4.280 -22.918 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.392 -4.703 -23.818 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.333 -4.514 -22.049 1.00 0.00 H new ATOM 177 N LEU A 34 12.432 -6.764 -20.309 1.00 0.00 N ATOM 178 CA LEU A 34 13.065 -6.769 -18.978 1.00 0.00 C ATOM 179 C LEU A 34 13.315 -8.204 -18.487 1.00 0.00 C ATOM 180 O LEU A 34 12.615 -9.145 -18.885 1.00 0.00 O ATOM 181 CB LEU A 34 12.169 -6.002 -17.964 1.00 0.00 C ATOM 182 CG LEU A 34 11.811 -4.524 -18.340 1.00 0.00 C ATOM 183 CD1 LEU A 34 10.817 -3.907 -17.328 1.00 0.00 C ATOM 184 CD2 LEU A 34 13.078 -3.659 -18.499 1.00 0.00 C ATOM 0 H LEU A 34 11.425 -6.926 -20.283 1.00 0.00 H new ATOM 0 HA LEU A 34 14.030 -6.269 -19.056 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.240 -6.558 -17.838 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.672 -5.998 -16.997 1.00 0.00 H new ATOM 0 HG LEU A 34 11.312 -4.544 -19.309 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.591 -2.881 -17.619 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.898 -4.493 -17.318 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.261 -3.912 -16.333 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.792 -2.640 -18.760 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.633 -3.651 -17.561 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.705 -4.074 -19.289 1.00 0.00 H new ATOM 196 N LYS A 35 14.333 -8.348 -17.623 1.00 0.00 N ATOM 197 CA LYS A 35 14.678 -9.616 -16.946 1.00 0.00 C ATOM 198 C LYS A 35 14.221 -9.551 -15.469 1.00 0.00 C ATOM 199 O LYS A 35 14.539 -8.578 -14.771 1.00 0.00 O ATOM 200 CB LYS A 35 16.220 -9.912 -17.033 1.00 0.00 C ATOM 201 CG LYS A 35 16.665 -10.753 -18.265 1.00 0.00 C ATOM 202 CD LYS A 35 16.322 -10.106 -19.625 1.00 0.00 C ATOM 203 CE LYS A 35 17.050 -8.776 -19.874 1.00 0.00 C ATOM 204 NZ LYS A 35 16.631 -8.156 -21.156 1.00 0.00 N ATOM 0 H LYS A 35 14.951 -7.577 -17.369 1.00 0.00 H new ATOM 0 HA LYS A 35 14.160 -10.431 -17.451 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.756 -8.963 -17.049 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.525 -10.435 -16.127 1.00 0.00 H new ATOM 0 HG2 LYS A 35 17.742 -10.914 -18.212 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.193 -11.734 -18.212 1.00 0.00 H new ATOM 0 HD2 LYS A 35 16.574 -10.804 -20.424 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.246 -9.937 -19.677 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.845 -8.089 -19.053 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.127 -8.946 -19.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.388 -7.533 -21.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.445 -8.901 -21.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.766 -7.599 -21.006 1.00 0.00 H new ATOM 218 N PRO A 36 13.452 -10.572 -14.975 1.00 0.00 N ATOM 219 CA PRO A 36 13.066 -10.663 -13.553 1.00 0.00 C ATOM 220 C PRO A 36 14.218 -11.196 -12.684 1.00 0.00 C ATOM 221 O PRO A 36 15.049 -11.986 -13.152 1.00 0.00 O ATOM 222 CB PRO A 36 11.882 -11.644 -13.584 1.00 0.00 C ATOM 223 CG PRO A 36 12.204 -12.562 -14.723 1.00 0.00 C ATOM 224 CD PRO A 36 12.889 -11.703 -15.762 1.00 0.00 C ATOM 0 HA PRO A 36 12.814 -9.697 -13.115 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.791 -12.190 -12.645 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.937 -11.125 -13.744 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.853 -13.375 -14.398 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.299 -13.017 -15.126 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.671 -12.255 -16.284 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.186 -11.353 -16.518 1.00 0.00 H new ATOM 232 N TYR A 37 14.279 -10.738 -11.429 1.00 0.00 N ATOM 233 CA TYR A 37 15.289 -11.204 -10.459 1.00 0.00 C ATOM 234 C TYR A 37 14.872 -12.560 -9.856 1.00 0.00 C ATOM 235 O TYR A 37 15.721 -13.339 -9.402 1.00 0.00 O ATOM 236 CB TYR A 37 15.536 -10.139 -9.348 1.00 0.00 C ATOM 237 CG TYR A 37 14.334 -9.835 -8.429 1.00 0.00 C ATOM 238 CD1 TYR A 37 13.400 -8.853 -8.756 1.00 0.00 C ATOM 239 CD2 TYR A 37 14.139 -10.534 -7.234 1.00 0.00 C ATOM 240 CE1 TYR A 37 12.327 -8.582 -7.930 1.00 0.00 C ATOM 241 CE2 TYR A 37 13.069 -10.267 -6.411 1.00 0.00 C ATOM 242 CZ TYR A 37 12.166 -9.296 -6.761 1.00 0.00 C ATOM 243 OH TYR A 37 11.099 -9.037 -5.939 1.00 0.00 O ATOM 0 H TYR A 37 13.637 -10.039 -11.054 1.00 0.00 H new ATOM 0 HA TYR A 37 16.232 -11.345 -10.988 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.367 -10.475 -8.728 1.00 0.00 H new ATOM 0 HB3 TYR A 37 15.849 -9.210 -9.825 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.518 -8.294 -9.672 1.00 0.00 H new ATOM 0 HD2 TYR A 37 14.844 -11.301 -6.950 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.617 -7.814 -8.198 1.00 0.00 H new ATOM 0 HE2 TYR A 37 12.941 -10.820 -5.492 1.00 0.00 H new ATOM 0 HH TYR A 37 11.418 -8.894 -5.024 1.00 0.00 H new ATOM 253 N ASP A 38 13.551 -12.825 -9.883 1.00 0.00 N ATOM 254 CA ASP A 38 12.936 -14.030 -9.295 1.00 0.00 C ATOM 255 C ASP A 38 11.539 -14.235 -9.920 1.00 0.00 C ATOM 256 O ASP A 38 11.095 -13.411 -10.730 1.00 0.00 O ATOM 257 CB ASP A 38 12.856 -13.879 -7.744 1.00 0.00 C ATOM 258 CG ASP A 38 12.502 -15.184 -7.017 1.00 0.00 C ATOM 259 OD1 ASP A 38 13.334 -16.120 -7.034 1.00 0.00 O ATOM 260 OD2 ASP A 38 11.390 -15.303 -6.464 1.00 0.00 O ATOM 0 H ASP A 38 12.873 -12.200 -10.319 1.00 0.00 H new ATOM 0 HA ASP A 38 13.543 -14.909 -9.510 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.814 -13.514 -7.373 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.110 -13.123 -7.499 1.00 0.00 H new ATOM 265 N ARG A 39 10.865 -15.349 -9.575 1.00 0.00 N ATOM 266 CA ARG A 39 9.478 -15.628 -9.993 1.00 0.00 C ATOM 267 C ARG A 39 8.690 -16.079 -8.750 1.00 0.00 C ATOM 268 O ARG A 39 9.066 -17.078 -8.121 1.00 0.00 O ATOM 269 CB ARG A 39 9.433 -16.760 -11.073 1.00 0.00 C ATOM 270 CG ARG A 39 10.554 -16.708 -12.139 1.00 0.00 C ATOM 271 CD ARG A 39 10.410 -17.810 -13.201 1.00 0.00 C ATOM 272 NE ARG A 39 9.237 -17.579 -14.054 1.00 0.00 N ATOM 273 CZ ARG A 39 8.561 -18.496 -14.743 1.00 0.00 C ATOM 274 NH1 ARG A 39 8.812 -19.798 -14.616 1.00 0.00 N ATOM 275 NH2 ARG A 39 7.592 -18.099 -15.544 1.00 0.00 N ATOM 0 H ARG A 39 11.270 -16.084 -8.995 1.00 0.00 H new ATOM 0 HA ARG A 39 9.043 -14.728 -10.429 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.482 -17.724 -10.566 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.470 -16.715 -11.581 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.541 -15.734 -12.627 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.522 -16.806 -11.648 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.309 -17.844 -13.817 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.321 -18.780 -12.712 1.00 0.00 H new ATOM 0 HE ARG A 39 8.906 -16.617 -14.126 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.540 -20.117 -13.977 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.276 -20.476 -15.158 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.373 -17.106 -15.627 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.061 -18.785 -16.081 1.00 0.00 H new ATOM 289 N ILE A 40 7.608 -15.361 -8.392 1.00 0.00 N ATOM 290 CA ILE A 40 6.724 -15.773 -7.279 1.00 0.00 C ATOM 291 C ILE A 40 5.607 -16.687 -7.802 1.00 0.00 C ATOM 292 O ILE A 40 5.183 -16.568 -8.961 1.00 0.00 O ATOM 293 CB ILE A 40 6.094 -14.551 -6.504 1.00 0.00 C ATOM 294 CG1 ILE A 40 5.173 -13.694 -7.425 1.00 0.00 C ATOM 295 CG2 ILE A 40 7.203 -13.684 -5.862 1.00 0.00 C ATOM 296 CD1 ILE A 40 4.428 -12.575 -6.718 1.00 0.00 C ATOM 0 H ILE A 40 7.324 -14.497 -8.853 1.00 0.00 H new ATOM 0 HA ILE A 40 7.349 -16.313 -6.568 1.00 0.00 H new ATOM 0 HB ILE A 40 5.467 -14.952 -5.708 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.780 -13.261 -8.220 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.446 -14.352 -7.901 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.749 -12.846 -5.332 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.777 -14.289 -5.160 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.865 -13.305 -6.641 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.814 -12.035 -7.439 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.790 -12.997 -5.941 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.145 -11.889 -6.266 1.00 0.00 H new ATOM 308 N VAL A 41 5.154 -17.610 -6.948 1.00 0.00 N ATOM 309 CA VAL A 41 4.033 -18.512 -7.248 1.00 0.00 C ATOM 310 C VAL A 41 3.060 -18.507 -6.063 1.00 0.00 C ATOM 311 O VAL A 41 3.461 -18.776 -4.921 1.00 0.00 O ATOM 312 CB VAL A 41 4.491 -19.998 -7.539 1.00 0.00 C ATOM 313 CG1 VAL A 41 3.266 -20.902 -7.870 1.00 0.00 C ATOM 314 CG2 VAL A 41 5.545 -20.056 -8.673 1.00 0.00 C ATOM 0 H VAL A 41 5.556 -17.755 -6.022 1.00 0.00 H new ATOM 0 HA VAL A 41 3.555 -18.143 -8.156 1.00 0.00 H new ATOM 0 HB VAL A 41 4.962 -20.381 -6.634 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.607 -21.919 -8.066 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.578 -20.907 -7.024 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.755 -20.514 -8.751 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.837 -21.092 -8.846 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.119 -19.641 -9.587 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.421 -19.475 -8.385 1.00 0.00 H new ATOM 324 N ILE A 42 1.796 -18.157 -6.329 1.00 0.00 N ATOM 325 CA ILE A 42 0.689 -18.337 -5.372 1.00 0.00 C ATOM 326 C ILE A 42 -0.236 -19.457 -5.886 1.00 0.00 C ATOM 327 O ILE A 42 -0.086 -19.933 -7.019 1.00 0.00 O ATOM 328 CB ILE A 42 -0.142 -17.005 -5.146 1.00 0.00 C ATOM 329 CG1 ILE A 42 -0.887 -16.579 -6.447 1.00 0.00 C ATOM 330 CG2 ILE A 42 0.768 -15.865 -4.619 1.00 0.00 C ATOM 331 CD1 ILE A 42 -1.870 -15.435 -6.278 1.00 0.00 C ATOM 0 H ILE A 42 1.508 -17.740 -7.214 1.00 0.00 H new ATOM 0 HA ILE A 42 1.118 -18.607 -4.407 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.897 -17.206 -4.386 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.147 -16.295 -7.195 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.422 -17.443 -6.841 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.174 -14.963 -4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.213 -16.164 -3.670 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.558 -15.665 -5.343 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.337 -15.212 -7.237 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.637 -15.718 -5.558 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.342 -14.552 -5.918 1.00 0.00 H new ATOM 343 N THR A 43 -1.185 -19.884 -5.041 1.00 0.00 N ATOM 344 CA THR A 43 -2.192 -20.895 -5.391 1.00 0.00 C ATOM 345 C THR A 43 -3.588 -20.327 -5.122 1.00 0.00 C ATOM 346 O THR A 43 -4.002 -20.170 -3.965 1.00 0.00 O ATOM 347 CB THR A 43 -1.973 -22.231 -4.598 1.00 0.00 C ATOM 348 OG1 THR A 43 -1.809 -21.959 -3.196 1.00 0.00 O ATOM 349 CG2 THR A 43 -0.753 -23.008 -5.116 1.00 0.00 C ATOM 0 H THR A 43 -1.276 -19.534 -4.087 1.00 0.00 H new ATOM 0 HA THR A 43 -2.092 -21.134 -6.450 1.00 0.00 H new ATOM 0 HB THR A 43 -2.859 -22.848 -4.751 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.486 -21.312 -2.907 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.636 -23.927 -4.541 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.898 -23.254 -6.168 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.142 -22.395 -5.007 1.00 0.00 H new ATOM 357 N GLY A 44 -4.292 -19.983 -6.210 1.00 0.00 N ATOM 358 CA GLY A 44 -5.628 -19.428 -6.135 1.00 0.00 C ATOM 359 C GLY A 44 -6.682 -20.521 -6.053 1.00 0.00 C ATOM 360 O GLY A 44 -7.184 -20.977 -7.087 1.00 0.00 O ATOM 0 H GLY A 44 -3.940 -20.086 -7.162 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.705 -18.780 -5.262 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.814 -18.806 -7.011 1.00 0.00 H new ATOM 364 N ARG A 45 -7.008 -20.957 -4.822 1.00 0.00 N ATOM 365 CA ARG A 45 -7.960 -22.058 -4.592 1.00 0.00 C ATOM 366 C ARG A 45 -9.401 -21.526 -4.608 1.00 0.00 C ATOM 367 O ARG A 45 -9.883 -21.013 -3.589 1.00 0.00 O ATOM 368 CB ARG A 45 -7.652 -22.780 -3.255 1.00 0.00 C ATOM 369 CG ARG A 45 -8.335 -24.163 -3.096 1.00 0.00 C ATOM 370 CD ARG A 45 -8.102 -24.792 -1.707 1.00 0.00 C ATOM 371 NE ARG A 45 -6.680 -24.737 -1.291 1.00 0.00 N ATOM 372 CZ ARG A 45 -5.936 -25.774 -0.887 1.00 0.00 C ATOM 373 NH1 ARG A 45 -6.407 -27.011 -0.925 1.00 0.00 N ATOM 374 NH2 ARG A 45 -4.696 -25.562 -0.467 1.00 0.00 N ATOM 0 H ARG A 45 -6.622 -20.559 -3.966 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.852 -22.785 -5.397 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.573 -22.910 -3.168 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.964 -22.139 -2.431 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.406 -24.055 -3.265 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.958 -24.839 -3.863 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.714 -24.273 -0.969 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.433 -25.830 -1.722 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.226 -23.824 -1.315 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.352 -27.187 -1.266 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.825 -27.788 -0.613 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.317 -24.615 -0.454 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.121 -26.346 -0.157 1.00 0.00 H new ATOM 388 N PHE A 46 -10.053 -21.642 -5.790 1.00 0.00 N ATOM 389 CA PHE A 46 -11.411 -21.128 -6.043 1.00 0.00 C ATOM 390 C PHE A 46 -11.442 -19.594 -5.847 1.00 0.00 C ATOM 391 O PHE A 46 -11.639 -19.112 -4.730 1.00 0.00 O ATOM 392 CB PHE A 46 -12.483 -21.852 -5.165 1.00 0.00 C ATOM 393 CG PHE A 46 -13.931 -21.462 -5.477 1.00 0.00 C ATOM 394 CD1 PHE A 46 -14.629 -22.083 -6.513 1.00 0.00 C ATOM 395 CD2 PHE A 46 -14.589 -20.466 -4.745 1.00 0.00 C ATOM 396 CE1 PHE A 46 -15.932 -21.723 -6.806 1.00 0.00 C ATOM 397 CE2 PHE A 46 -15.891 -20.106 -5.043 1.00 0.00 C ATOM 398 CZ PHE A 46 -16.561 -20.734 -6.074 1.00 0.00 C ATOM 0 H PHE A 46 -9.641 -22.102 -6.602 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.671 -21.345 -7.079 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.374 -22.929 -5.296 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -12.280 -21.636 -4.116 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -14.146 -22.855 -7.094 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -14.072 -19.972 -3.936 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -16.459 -22.216 -7.609 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -16.383 -19.334 -4.470 1.00 0.00 H new ATOM 0 HZ PHE A 46 -17.577 -20.452 -6.308 1.00 0.00 H new ATOM 408 N ASN A 47 -11.192 -18.844 -6.938 1.00 0.00 N ATOM 409 CA ASN A 47 -11.181 -17.360 -6.932 1.00 0.00 C ATOM 410 C ASN A 47 -11.160 -16.831 -8.369 1.00 0.00 C ATOM 411 O ASN A 47 -10.826 -17.571 -9.299 1.00 0.00 O ATOM 412 CB ASN A 47 -9.954 -16.779 -6.148 1.00 0.00 C ATOM 413 CG ASN A 47 -8.577 -16.992 -6.816 1.00 0.00 C ATOM 414 OD1 ASN A 47 -8.370 -18.133 -7.460 1.00 0.00 O flip ATOM 415 ND2 ASN A 47 -7.683 -16.148 -6.706 1.00 0.00 N flip ATOM 0 H ASN A 47 -10.991 -19.247 -7.853 1.00 0.00 H new ATOM 0 HA ASN A 47 -12.088 -17.034 -6.423 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.108 -15.709 -6.007 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.931 -17.231 -5.156 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.863 -15.277 -6.207 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -6.765 -16.322 -7.114 1.00 0.00 H new ATOM 422 N ALA A 48 -11.502 -15.541 -8.532 1.00 0.00 N ATOM 423 CA ALA A 48 -11.399 -14.849 -9.825 1.00 0.00 C ATOM 424 C ALA A 48 -9.948 -14.396 -10.066 1.00 0.00 C ATOM 425 O ALA A 48 -9.150 -14.306 -9.121 1.00 0.00 O ATOM 426 CB ALA A 48 -12.372 -13.654 -9.878 1.00 0.00 C ATOM 0 H ALA A 48 -11.855 -14.954 -7.776 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.678 -15.540 -10.620 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.282 -13.154 -10.842 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.394 -14.011 -9.748 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.129 -12.951 -9.081 1.00 0.00 H new ATOM 432 N ILE A 49 -9.626 -14.097 -11.337 1.00 0.00 N ATOM 433 CA ILE A 49 -8.283 -13.643 -11.747 1.00 0.00 C ATOM 434 C ILE A 49 -7.959 -12.273 -11.113 1.00 0.00 C ATOM 435 O ILE A 49 -6.800 -11.991 -10.814 1.00 0.00 O ATOM 436 CB ILE A 49 -8.134 -13.601 -13.322 1.00 0.00 C ATOM 437 CG1 ILE A 49 -6.690 -13.179 -13.767 1.00 0.00 C ATOM 438 CG2 ILE A 49 -9.200 -12.685 -13.962 1.00 0.00 C ATOM 439 CD1 ILE A 49 -5.571 -14.114 -13.328 1.00 0.00 C ATOM 0 H ILE A 49 -10.289 -14.163 -12.110 1.00 0.00 H new ATOM 0 HA ILE A 49 -7.557 -14.369 -11.380 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.299 -14.616 -13.683 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.671 -13.103 -14.854 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.484 -12.183 -13.374 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -9.071 -12.677 -15.044 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -10.195 -13.058 -13.718 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.088 -11.672 -13.576 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.615 -13.731 -13.687 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.553 -14.174 -12.240 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.743 -15.107 -13.743 1.00 0.00 H new ATOM 451 N GLY A 50 -9.004 -11.460 -10.856 1.00 0.00 N ATOM 452 CA GLY A 50 -8.845 -10.179 -10.156 1.00 0.00 C ATOM 453 C GLY A 50 -8.277 -10.333 -8.742 1.00 0.00 C ATOM 454 O GLY A 50 -7.429 -9.543 -8.313 1.00 0.00 O ATOM 0 H GLY A 50 -9.965 -11.672 -11.125 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.186 -9.534 -10.737 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.812 -9.680 -10.100 1.00 0.00 H new ATOM 458 N ASP A 51 -8.745 -11.382 -8.032 1.00 0.00 N ATOM 459 CA ASP A 51 -8.265 -11.731 -6.678 1.00 0.00 C ATOM 460 C ASP A 51 -6.804 -12.201 -6.731 1.00 0.00 C ATOM 461 O ASP A 51 -5.977 -11.802 -5.898 1.00 0.00 O ATOM 462 CB ASP A 51 -9.137 -12.848 -6.040 1.00 0.00 C ATOM 463 CG ASP A 51 -10.612 -12.453 -5.921 1.00 0.00 C ATOM 464 OD1 ASP A 51 -10.968 -11.719 -4.973 1.00 0.00 O ATOM 465 OD2 ASP A 51 -11.419 -12.834 -6.799 1.00 0.00 O ATOM 0 H ASP A 51 -9.467 -12.011 -8.382 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.340 -10.834 -6.064 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.055 -13.754 -6.640 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.748 -13.086 -5.050 1.00 0.00 H new ATOM 470 N ALA A 52 -6.508 -13.044 -7.740 1.00 0.00 N ATOM 471 CA ALA A 52 -5.173 -13.638 -7.958 1.00 0.00 C ATOM 472 C ALA A 52 -4.106 -12.556 -8.225 1.00 0.00 C ATOM 473 O ALA A 52 -3.072 -12.533 -7.568 1.00 0.00 O ATOM 474 CB ALA A 52 -5.220 -14.649 -9.116 1.00 0.00 C ATOM 0 H ALA A 52 -7.196 -13.335 -8.434 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.888 -14.161 -7.045 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.229 -15.078 -9.265 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.927 -15.443 -8.877 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.537 -14.143 -10.028 1.00 0.00 H new ATOM 480 N VAL A 53 -4.403 -11.643 -9.164 1.00 0.00 N ATOM 481 CA VAL A 53 -3.505 -10.534 -9.555 1.00 0.00 C ATOM 482 C VAL A 53 -3.291 -9.553 -8.380 1.00 0.00 C ATOM 483 O VAL A 53 -2.181 -9.036 -8.186 1.00 0.00 O ATOM 484 CB VAL A 53 -4.070 -9.789 -10.827 1.00 0.00 C ATOM 485 CG1 VAL A 53 -3.246 -8.530 -11.185 1.00 0.00 C ATOM 486 CG2 VAL A 53 -4.137 -10.757 -12.034 1.00 0.00 C ATOM 0 H VAL A 53 -5.282 -11.651 -9.681 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.533 -10.954 -9.812 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.078 -9.453 -10.583 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.675 -8.053 -12.067 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.267 -7.832 -10.348 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.215 -8.817 -11.393 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.529 -10.228 -12.903 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.138 -11.131 -12.257 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.792 -11.594 -11.793 1.00 0.00 H new ATOM 496 N SER A 54 -4.352 -9.345 -7.577 1.00 0.00 N ATOM 497 CA SER A 54 -4.291 -8.505 -6.362 1.00 0.00 C ATOM 498 C SER A 54 -3.393 -9.162 -5.292 1.00 0.00 C ATOM 499 O SER A 54 -2.668 -8.475 -4.559 1.00 0.00 O ATOM 500 CB SER A 54 -5.714 -8.247 -5.816 1.00 0.00 C ATOM 501 OG SER A 54 -5.704 -7.350 -4.718 1.00 0.00 O ATOM 0 H SER A 54 -5.272 -9.751 -7.749 1.00 0.00 H new ATOM 0 HA SER A 54 -3.849 -7.543 -6.623 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.340 -7.841 -6.611 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.162 -9.192 -5.509 1.00 0.00 H new ATOM 0 HG SER A 54 -6.621 -7.210 -4.401 1.00 0.00 H new ATOM 507 N ALA A 55 -3.425 -10.503 -5.236 1.00 0.00 N ATOM 508 CA ALA A 55 -2.586 -11.289 -4.314 1.00 0.00 C ATOM 509 C ALA A 55 -1.119 -11.310 -4.784 1.00 0.00 C ATOM 510 O ALA A 55 -0.201 -11.329 -3.963 1.00 0.00 O ATOM 511 CB ALA A 55 -3.138 -12.711 -4.198 1.00 0.00 C ATOM 0 H ALA A 55 -4.031 -11.073 -5.826 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.611 -10.818 -3.331 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.515 -13.289 -3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.158 -12.675 -3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.135 -13.184 -5.180 1.00 0.00 H new ATOM 517 N VAL A 56 -0.923 -11.306 -6.118 1.00 0.00 N ATOM 518 CA VAL A 56 0.412 -11.268 -6.738 1.00 0.00 C ATOM 519 C VAL A 56 1.086 -9.896 -6.515 1.00 0.00 C ATOM 520 O VAL A 56 2.266 -9.843 -6.208 1.00 0.00 O ATOM 521 CB VAL A 56 0.345 -11.606 -8.276 1.00 0.00 C ATOM 522 CG1 VAL A 56 1.702 -11.389 -8.970 1.00 0.00 C ATOM 523 CG2 VAL A 56 -0.132 -13.055 -8.508 1.00 0.00 C ATOM 0 H VAL A 56 -1.687 -11.329 -6.793 1.00 0.00 H new ATOM 0 HA VAL A 56 1.018 -12.033 -6.253 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.378 -10.920 -8.717 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.612 -11.633 -10.029 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.003 -10.347 -8.862 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.452 -12.033 -8.511 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.168 -13.259 -9.578 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.561 -13.747 -8.030 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.126 -13.184 -8.080 1.00 0.00 H new ATOM 533 N SER A 57 0.317 -8.797 -6.650 1.00 0.00 N ATOM 534 CA SER A 57 0.833 -7.419 -6.441 1.00 0.00 C ATOM 535 C SER A 57 1.230 -7.192 -4.970 1.00 0.00 C ATOM 536 O SER A 57 2.197 -6.474 -4.678 1.00 0.00 O ATOM 537 CB SER A 57 -0.217 -6.377 -6.893 1.00 0.00 C ATOM 538 OG SER A 57 -1.486 -6.660 -6.350 1.00 0.00 O ATOM 0 H SER A 57 -0.670 -8.833 -6.904 1.00 0.00 H new ATOM 0 HA SER A 57 1.729 -7.295 -7.050 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.099 -5.381 -6.583 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.279 -6.368 -7.981 1.00 0.00 H new ATOM 0 HG SER A 57 -1.404 -7.369 -5.678 1.00 0.00 H new ATOM 544 N ARG A 58 0.473 -7.832 -4.062 1.00 0.00 N ATOM 545 CA ARG A 58 0.761 -7.843 -2.619 1.00 0.00 C ATOM 546 C ARG A 58 2.079 -8.603 -2.358 1.00 0.00 C ATOM 547 O ARG A 58 3.048 -8.035 -1.857 1.00 0.00 O ATOM 548 CB ARG A 58 -0.425 -8.515 -1.858 1.00 0.00 C ATOM 549 CG ARG A 58 -0.334 -8.492 -0.313 1.00 0.00 C ATOM 550 CD ARG A 58 -0.290 -7.061 0.260 1.00 0.00 C ATOM 551 NE ARG A 58 -0.426 -7.039 1.734 1.00 0.00 N ATOM 552 CZ ARG A 58 0.368 -6.374 2.589 1.00 0.00 C ATOM 553 NH1 ARG A 58 1.467 -5.770 2.170 1.00 0.00 N ATOM 554 NH2 ARG A 58 0.077 -6.355 3.879 1.00 0.00 N ATOM 0 H ARG A 58 -0.363 -8.360 -4.312 1.00 0.00 H new ATOM 0 HA ARG A 58 0.874 -6.821 -2.257 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.350 -8.021 -2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.499 -9.553 -2.183 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.191 -9.020 0.105 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.558 -9.033 0.002 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.651 -6.588 -0.022 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.090 -6.470 -0.185 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.193 -7.578 2.137 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.723 -5.805 1.183 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.058 -5.269 2.833 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.749 -6.845 4.223 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.679 -5.851 4.530 1.00 0.00 H new ATOM 568 N ARG A 59 2.097 -9.869 -2.809 1.00 0.00 N ATOM 569 CA ARG A 59 3.198 -10.832 -2.592 1.00 0.00 C ATOM 570 C ARG A 59 4.532 -10.345 -3.195 1.00 0.00 C ATOM 571 O ARG A 59 5.592 -10.490 -2.583 1.00 0.00 O ATOM 572 CB ARG A 59 2.787 -12.206 -3.199 1.00 0.00 C ATOM 573 CG ARG A 59 3.828 -13.341 -3.084 1.00 0.00 C ATOM 574 CD ARG A 59 4.180 -13.689 -1.635 1.00 0.00 C ATOM 575 NE ARG A 59 5.239 -14.710 -1.580 1.00 0.00 N ATOM 576 CZ ARG A 59 6.301 -14.683 -0.768 1.00 0.00 C ATOM 577 NH1 ARG A 59 6.450 -13.713 0.134 1.00 0.00 N ATOM 578 NH2 ARG A 59 7.206 -15.640 -0.853 1.00 0.00 N ATOM 0 H ARG A 59 1.327 -10.264 -3.349 1.00 0.00 H new ATOM 0 HA ARG A 59 3.364 -10.930 -1.519 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.868 -12.534 -2.714 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.555 -12.059 -4.254 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.443 -14.231 -3.582 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.736 -13.048 -3.612 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.508 -12.791 -1.111 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.292 -14.053 -1.119 1.00 0.00 H new ATOM 0 HE ARG A 59 5.156 -15.504 -2.214 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.748 -12.977 0.212 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.266 -13.707 0.746 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.092 -16.391 -1.534 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.020 -15.628 -0.238 1.00 0.00 H new ATOM 592 N ALA A 60 4.445 -9.750 -4.386 1.00 0.00 N ATOM 593 CA ALA A 60 5.609 -9.260 -5.146 1.00 0.00 C ATOM 594 C ALA A 60 6.256 -8.076 -4.420 1.00 0.00 C ATOM 595 O ALA A 60 7.474 -8.016 -4.278 1.00 0.00 O ATOM 596 CB ALA A 60 5.186 -8.843 -6.558 1.00 0.00 C ATOM 0 H ALA A 60 3.556 -9.590 -4.860 1.00 0.00 H new ATOM 0 HA ALA A 60 6.338 -10.067 -5.223 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.056 -8.483 -7.107 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.758 -9.700 -7.078 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.443 -8.048 -6.495 1.00 0.00 H new ATOM 602 N ASP A 61 5.406 -7.155 -3.937 1.00 0.00 N ATOM 603 CA ASP A 61 5.846 -5.954 -3.193 1.00 0.00 C ATOM 604 C ASP A 61 6.534 -6.354 -1.872 1.00 0.00 C ATOM 605 O ASP A 61 7.465 -5.680 -1.423 1.00 0.00 O ATOM 606 CB ASP A 61 4.630 -5.031 -2.939 1.00 0.00 C ATOM 607 CG ASP A 61 4.973 -3.693 -2.248 1.00 0.00 C ATOM 608 OD1 ASP A 61 5.423 -2.754 -2.938 1.00 0.00 O ATOM 609 OD2 ASP A 61 4.764 -3.560 -1.018 1.00 0.00 O ATOM 0 H ASP A 61 4.394 -7.218 -4.049 1.00 0.00 H new ATOM 0 HA ASP A 61 6.578 -5.408 -3.788 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.146 -4.819 -3.892 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.906 -5.567 -2.326 1.00 0.00 H new ATOM 614 N GLU A 62 6.093 -7.487 -1.286 1.00 0.00 N ATOM 615 CA GLU A 62 6.723 -8.070 -0.083 1.00 0.00 C ATOM 616 C GLU A 62 8.121 -8.636 -0.403 1.00 0.00 C ATOM 617 O GLU A 62 8.999 -8.672 0.465 1.00 0.00 O ATOM 618 CB GLU A 62 5.829 -9.183 0.514 1.00 0.00 C ATOM 619 CG GLU A 62 4.414 -8.737 0.926 1.00 0.00 C ATOM 620 CD GLU A 62 4.408 -7.510 1.846 1.00 0.00 C ATOM 621 OE1 GLU A 62 4.685 -7.668 3.061 1.00 0.00 O ATOM 622 OE2 GLU A 62 4.141 -6.384 1.367 1.00 0.00 O ATOM 0 H GLU A 62 5.295 -8.021 -1.631 1.00 0.00 H new ATOM 0 HA GLU A 62 6.835 -7.272 0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.741 -9.987 -0.217 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.330 -9.600 1.388 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.836 -8.513 0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.913 -9.563 1.430 1.00 0.00 H new ATOM 629 N GLU A 63 8.310 -9.084 -1.650 1.00 0.00 N ATOM 630 CA GLU A 63 9.625 -9.542 -2.151 1.00 0.00 C ATOM 631 C GLU A 63 10.480 -8.354 -2.634 1.00 0.00 C ATOM 632 O GLU A 63 11.636 -8.536 -3.038 1.00 0.00 O ATOM 633 CB GLU A 63 9.430 -10.594 -3.277 1.00 0.00 C ATOM 634 CG GLU A 63 8.587 -11.824 -2.861 1.00 0.00 C ATOM 635 CD GLU A 63 9.166 -12.615 -1.669 1.00 0.00 C ATOM 636 OE1 GLU A 63 8.881 -12.266 -0.499 1.00 0.00 O ATOM 637 OE2 GLU A 63 9.903 -13.599 -1.888 1.00 0.00 O ATOM 0 H GLU A 63 7.563 -9.142 -2.343 1.00 0.00 H new ATOM 0 HA GLU A 63 10.164 -10.015 -1.330 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.952 -10.112 -4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.409 -10.936 -3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.581 -11.491 -2.607 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.495 -12.493 -3.716 1.00 0.00 H new ATOM 644 N GLY A 64 9.906 -7.139 -2.567 1.00 0.00 N ATOM 645 CA GLY A 64 10.602 -5.910 -2.948 1.00 0.00 C ATOM 646 C GLY A 64 10.585 -5.648 -4.450 1.00 0.00 C ATOM 647 O GLY A 64 11.365 -4.832 -4.943 1.00 0.00 O ATOM 0 H GLY A 64 8.949 -6.988 -2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.142 -5.066 -2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.636 -5.966 -2.608 1.00 0.00 H new ATOM 651 N ALA A 65 9.689 -6.339 -5.174 1.00 0.00 N ATOM 652 CA ALA A 65 9.529 -6.183 -6.626 1.00 0.00 C ATOM 653 C ALA A 65 8.922 -4.827 -6.962 1.00 0.00 C ATOM 654 O ALA A 65 7.847 -4.482 -6.459 1.00 0.00 O ATOM 655 CB ALA A 65 8.660 -7.308 -7.198 1.00 0.00 C ATOM 0 H ALA A 65 9.053 -7.024 -4.765 1.00 0.00 H new ATOM 0 HA ALA A 65 10.518 -6.241 -7.081 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.554 -7.174 -8.275 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.131 -8.270 -6.997 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.676 -7.281 -6.730 1.00 0.00 H new ATOM 661 N ALA A 66 9.621 -4.073 -7.809 1.00 0.00 N ATOM 662 CA ALA A 66 9.134 -2.793 -8.340 1.00 0.00 C ATOM 663 C ALA A 66 7.946 -3.024 -9.281 1.00 0.00 C ATOM 664 O ALA A 66 7.080 -2.160 -9.435 1.00 0.00 O ATOM 665 CB ALA A 66 10.261 -2.070 -9.081 1.00 0.00 C ATOM 0 H ALA A 66 10.547 -4.331 -8.150 1.00 0.00 H new ATOM 0 HA ALA A 66 8.803 -2.172 -7.508 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.890 -1.122 -9.471 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.086 -1.882 -8.394 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.610 -2.690 -9.906 1.00 0.00 H new ATOM 671 N SER A 67 7.951 -4.197 -9.937 1.00 0.00 N ATOM 672 CA SER A 67 6.886 -4.638 -10.840 1.00 0.00 C ATOM 673 C SER A 67 6.685 -6.160 -10.710 1.00 0.00 C ATOM 674 O SER A 67 7.588 -6.875 -10.288 1.00 0.00 O ATOM 675 CB SER A 67 7.241 -4.262 -12.300 1.00 0.00 C ATOM 676 OG SER A 67 7.335 -2.848 -12.471 1.00 0.00 O ATOM 0 H SER A 67 8.710 -4.873 -9.850 1.00 0.00 H new ATOM 0 HA SER A 67 5.956 -4.138 -10.568 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.188 -4.726 -12.576 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.483 -4.661 -12.974 1.00 0.00 H new ATOM 0 HG SER A 67 7.857 -2.650 -13.277 1.00 0.00 H new ATOM 682 N PHE A 68 5.482 -6.622 -11.053 1.00 0.00 N ATOM 683 CA PHE A 68 5.157 -8.050 -11.195 1.00 0.00 C ATOM 684 C PHE A 68 4.594 -8.272 -12.597 1.00 0.00 C ATOM 685 O PHE A 68 4.092 -7.329 -13.220 1.00 0.00 O ATOM 686 CB PHE A 68 4.109 -8.500 -10.133 1.00 0.00 C ATOM 687 CG PHE A 68 2.681 -7.977 -10.367 1.00 0.00 C ATOM 688 CD1 PHE A 68 2.291 -6.725 -9.912 1.00 0.00 C ATOM 689 CD2 PHE A 68 1.734 -8.744 -11.059 1.00 0.00 C ATOM 690 CE1 PHE A 68 1.010 -6.260 -10.130 1.00 0.00 C ATOM 691 CE2 PHE A 68 0.455 -8.277 -11.270 1.00 0.00 C ATOM 692 CZ PHE A 68 0.092 -7.036 -10.808 1.00 0.00 C ATOM 0 H PHE A 68 4.690 -6.008 -11.244 1.00 0.00 H new ATOM 0 HA PHE A 68 6.060 -8.641 -11.041 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.082 -9.589 -10.110 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.445 -8.169 -9.150 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.999 -6.107 -9.380 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.012 -9.718 -11.433 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.724 -5.283 -9.768 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.262 -8.887 -11.799 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.910 -6.668 -10.975 1.00 0.00 H new ATOM 702 N TYR A 69 4.613 -9.522 -13.053 1.00 0.00 N ATOM 703 CA TYR A 69 3.992 -9.909 -14.316 1.00 0.00 C ATOM 704 C TYR A 69 3.509 -11.357 -14.233 1.00 0.00 C ATOM 705 O TYR A 69 4.322 -12.287 -14.267 1.00 0.00 O ATOM 706 CB TYR A 69 4.980 -9.730 -15.493 1.00 0.00 C ATOM 707 CG TYR A 69 4.391 -10.093 -16.863 1.00 0.00 C ATOM 708 CD1 TYR A 69 3.472 -9.250 -17.488 1.00 0.00 C ATOM 709 CD2 TYR A 69 4.746 -11.274 -17.529 1.00 0.00 C ATOM 710 CE1 TYR A 69 2.931 -9.565 -18.718 1.00 0.00 C ATOM 711 CE2 TYR A 69 4.204 -11.593 -18.761 1.00 0.00 C ATOM 712 CZ TYR A 69 3.300 -10.736 -19.350 1.00 0.00 C ATOM 713 OH TYR A 69 2.769 -11.046 -20.585 1.00 0.00 O ATOM 0 H TYR A 69 5.059 -10.294 -12.558 1.00 0.00 H new ATOM 0 HA TYR A 69 3.135 -9.260 -14.498 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.317 -8.694 -15.517 1.00 0.00 H new ATOM 0 HB3 TYR A 69 5.860 -10.347 -15.312 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.178 -8.333 -17.000 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.456 -11.947 -17.072 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.221 -8.898 -19.185 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.488 -12.509 -19.258 1.00 0.00 H new ATOM 0 HH TYR A 69 3.132 -11.903 -20.892 1.00 0.00 H new ATOM 723 N VAL A 70 2.182 -11.529 -14.103 1.00 0.00 N ATOM 724 CA VAL A 70 1.529 -12.838 -14.231 1.00 0.00 C ATOM 725 C VAL A 70 1.789 -13.364 -15.650 1.00 0.00 C ATOM 726 O VAL A 70 1.263 -12.813 -16.630 1.00 0.00 O ATOM 727 CB VAL A 70 -0.018 -12.751 -13.943 1.00 0.00 C ATOM 728 CG1 VAL A 70 -0.716 -14.121 -14.148 1.00 0.00 C ATOM 729 CG2 VAL A 70 -0.285 -12.189 -12.517 1.00 0.00 C ATOM 0 H VAL A 70 1.536 -10.765 -13.907 1.00 0.00 H new ATOM 0 HA VAL A 70 1.945 -13.522 -13.491 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.450 -12.058 -14.665 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.781 -14.021 -13.940 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.576 -14.450 -15.178 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.281 -14.856 -13.470 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.360 -12.138 -12.341 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.173 -12.844 -11.776 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.144 -11.190 -12.433 1.00 0.00 H new ATOM 739 N VAL A 71 2.651 -14.384 -15.755 1.00 0.00 N ATOM 740 CA VAL A 71 3.085 -14.926 -17.049 1.00 0.00 C ATOM 741 C VAL A 71 2.197 -16.109 -17.455 1.00 0.00 C ATOM 742 O VAL A 71 1.864 -16.272 -18.633 1.00 0.00 O ATOM 743 CB VAL A 71 4.603 -15.349 -17.010 1.00 0.00 C ATOM 744 CG1 VAL A 71 4.859 -16.463 -15.971 1.00 0.00 C ATOM 745 CG2 VAL A 71 5.140 -15.753 -18.413 1.00 0.00 C ATOM 0 H VAL A 71 3.065 -14.854 -14.950 1.00 0.00 H new ATOM 0 HA VAL A 71 2.981 -14.142 -17.799 1.00 0.00 H new ATOM 0 HB VAL A 71 5.162 -14.468 -16.696 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.916 -16.727 -15.974 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.576 -16.108 -14.980 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.265 -17.341 -16.225 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.190 -16.036 -18.333 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.565 -16.597 -18.794 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.043 -14.910 -19.097 1.00 0.00 H new ATOM 755 N ASP A 72 1.777 -16.906 -16.457 1.00 0.00 N ATOM 756 CA ASP A 72 1.052 -18.156 -16.693 1.00 0.00 C ATOM 757 C ASP A 72 0.202 -18.509 -15.459 1.00 0.00 C ATOM 758 O ASP A 72 0.594 -18.234 -14.317 1.00 0.00 O ATOM 759 CB ASP A 72 2.062 -19.298 -16.997 1.00 0.00 C ATOM 760 CG ASP A 72 1.395 -20.628 -17.385 1.00 0.00 C ATOM 761 OD1 ASP A 72 1.043 -21.420 -16.479 1.00 0.00 O ATOM 762 OD2 ASP A 72 1.224 -20.892 -18.592 1.00 0.00 O ATOM 0 H ASP A 72 1.932 -16.699 -15.470 1.00 0.00 H new ATOM 0 HA ASP A 72 0.390 -18.033 -17.550 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.720 -18.982 -17.806 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.689 -19.459 -16.120 1.00 0.00 H new ATOM 767 N THR A 73 -0.973 -19.107 -15.719 1.00 0.00 N ATOM 768 CA THR A 73 -1.864 -19.680 -14.704 1.00 0.00 C ATOM 769 C THR A 73 -2.258 -21.098 -15.168 1.00 0.00 C ATOM 770 O THR A 73 -2.563 -21.291 -16.356 1.00 0.00 O ATOM 771 CB THR A 73 -3.139 -18.786 -14.500 1.00 0.00 C ATOM 772 OG1 THR A 73 -3.865 -18.663 -15.735 1.00 0.00 O ATOM 773 CG2 THR A 73 -2.780 -17.371 -13.998 1.00 0.00 C ATOM 0 H THR A 73 -1.336 -19.206 -16.667 1.00 0.00 H new ATOM 0 HA THR A 73 -1.352 -19.726 -13.743 1.00 0.00 H new ATOM 0 HB THR A 73 -3.752 -19.278 -13.745 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.658 -18.105 -15.594 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.692 -16.788 -13.871 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.260 -17.445 -13.043 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.134 -16.880 -14.725 1.00 0.00 H new ATOM 781 N SER A 74 -2.208 -22.087 -14.255 1.00 0.00 N ATOM 782 CA SER A 74 -2.477 -23.510 -14.584 1.00 0.00 C ATOM 783 C SER A 74 -3.310 -24.160 -13.474 1.00 0.00 C ATOM 784 O SER A 74 -2.918 -24.113 -12.297 1.00 0.00 O ATOM 785 CB SER A 74 -1.150 -24.287 -14.765 1.00 0.00 C ATOM 786 OG SER A 74 -0.386 -23.781 -15.842 1.00 0.00 O ATOM 0 H SER A 74 -1.982 -21.929 -13.273 1.00 0.00 H new ATOM 0 HA SER A 74 -3.035 -23.546 -15.520 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.566 -24.228 -13.846 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.367 -25.341 -14.937 1.00 0.00 H new ATOM 0 HG SER A 74 -0.095 -22.868 -15.636 1.00 0.00 H new ATOM 792 N GLU A 75 -4.444 -24.777 -13.852 1.00 0.00 N ATOM 793 CA GLU A 75 -5.347 -25.450 -12.901 1.00 0.00 C ATOM 794 C GLU A 75 -4.724 -26.758 -12.388 1.00 0.00 C ATOM 795 O GLU A 75 -4.269 -27.599 -13.179 1.00 0.00 O ATOM 796 CB GLU A 75 -6.748 -25.721 -13.523 1.00 0.00 C ATOM 797 CG GLU A 75 -7.585 -24.465 -13.864 1.00 0.00 C ATOM 798 CD GLU A 75 -7.020 -23.627 -15.021 1.00 0.00 C ATOM 799 OE1 GLU A 75 -7.158 -24.058 -16.185 1.00 0.00 O ATOM 800 OE2 GLU A 75 -6.403 -22.567 -14.780 1.00 0.00 O ATOM 0 H GLU A 75 -4.759 -24.823 -14.821 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.487 -24.775 -12.057 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.614 -26.304 -14.434 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.319 -26.339 -12.830 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.599 -24.775 -14.116 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.656 -23.837 -12.976 1.00 0.00 H new ATOM 807 N PHE A 76 -4.697 -26.906 -11.055 1.00 0.00 N ATOM 808 CA PHE A 76 -4.176 -28.098 -10.389 1.00 0.00 C ATOM 809 C PHE A 76 -5.300 -29.153 -10.275 1.00 0.00 C ATOM 810 O PHE A 76 -5.111 -30.309 -10.677 1.00 0.00 O ATOM 811 CB PHE A 76 -3.584 -27.715 -9.009 1.00 0.00 C ATOM 812 CG PHE A 76 -2.832 -28.842 -8.315 1.00 0.00 C ATOM 813 CD1 PHE A 76 -1.622 -29.303 -8.832 1.00 0.00 C ATOM 814 CD2 PHE A 76 -3.325 -29.440 -7.157 1.00 0.00 C ATOM 815 CE1 PHE A 76 -0.934 -30.324 -8.214 1.00 0.00 C ATOM 816 CE2 PHE A 76 -2.634 -30.463 -6.540 1.00 0.00 C ATOM 817 CZ PHE A 76 -1.441 -30.905 -7.067 1.00 0.00 C ATOM 0 H PHE A 76 -5.039 -26.195 -10.409 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.368 -28.536 -10.975 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.909 -26.869 -9.139 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.393 -27.380 -8.360 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.219 -28.854 -9.728 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.260 -29.099 -6.737 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.002 -30.671 -8.626 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.029 -30.917 -5.643 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.901 -31.706 -6.584 1.00 0.00 H new ATOM 827 N GLY A 77 -6.463 -28.750 -9.723 1.00 0.00 N ATOM 828 CA GLY A 77 -7.644 -29.631 -9.669 1.00 0.00 C ATOM 829 C GLY A 77 -8.488 -29.470 -8.407 1.00 0.00 C ATOM 830 O GLY A 77 -9.710 -29.280 -8.496 1.00 0.00 O ATOM 0 H GLY A 77 -6.608 -27.828 -9.312 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.270 -29.434 -10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.314 -30.667 -9.742 1.00 0.00 H new ATOM 834 N ASN A 78 -7.821 -29.533 -7.235 1.00 0.00 N ATOM 835 CA ASN A 78 -8.477 -29.494 -5.901 1.00 0.00 C ATOM 836 C ASN A 78 -9.346 -28.225 -5.704 1.00 0.00 C ATOM 837 O ASN A 78 -8.808 -27.120 -5.581 1.00 0.00 O ATOM 838 CB ASN A 78 -7.402 -29.581 -4.776 1.00 0.00 C ATOM 839 CG ASN A 78 -7.967 -29.405 -3.349 1.00 0.00 C ATOM 840 OD1 ASN A 78 -8.000 -28.296 -2.806 1.00 0.00 O ATOM 841 ND2 ASN A 78 -8.430 -30.487 -2.740 1.00 0.00 N ATOM 0 H ASN A 78 -6.805 -29.613 -7.182 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.144 -30.355 -5.845 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.901 -30.547 -4.840 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.645 -28.817 -4.952 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.825 -30.415 -1.802 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.392 -31.392 -3.209 1.00 0.00 H new ATOM 848 N SER A 79 -10.683 -28.410 -5.719 1.00 0.00 N ATOM 849 CA SER A 79 -11.672 -27.335 -5.460 1.00 0.00 C ATOM 850 C SER A 79 -11.594 -26.202 -6.516 1.00 0.00 C ATOM 851 O SER A 79 -12.049 -25.077 -6.278 1.00 0.00 O ATOM 852 CB SER A 79 -11.505 -26.789 -4.015 1.00 0.00 C ATOM 853 OG SER A 79 -11.605 -27.840 -3.058 1.00 0.00 O ATOM 0 H SER A 79 -11.112 -29.315 -5.912 1.00 0.00 H new ATOM 0 HA SER A 79 -12.669 -27.767 -5.550 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.538 -26.295 -3.918 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.269 -26.037 -3.816 1.00 0.00 H new ATOM 0 HG SER A 79 -11.495 -27.473 -2.156 1.00 0.00 H new ATOM 859 N GLY A 80 -11.052 -26.540 -7.700 1.00 0.00 N ATOM 860 CA GLY A 80 -10.819 -25.564 -8.754 1.00 0.00 C ATOM 861 C GLY A 80 -9.690 -24.601 -8.408 1.00 0.00 C ATOM 862 O GLY A 80 -9.790 -23.395 -8.672 1.00 0.00 O ATOM 0 H GLY A 80 -10.769 -27.490 -7.941 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.579 -26.084 -9.682 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.734 -24.999 -8.932 1.00 0.00 H new ATOM 866 N ASN A 81 -8.625 -25.137 -7.770 1.00 0.00 N ATOM 867 CA ASN A 81 -7.405 -24.366 -7.491 1.00 0.00 C ATOM 868 C ASN A 81 -6.561 -24.285 -8.763 1.00 0.00 C ATOM 869 O ASN A 81 -6.561 -25.215 -9.583 1.00 0.00 O ATOM 870 CB ASN A 81 -6.572 -24.962 -6.310 1.00 0.00 C ATOM 871 CG ASN A 81 -5.939 -26.329 -6.576 1.00 0.00 C ATOM 872 OD1 ASN A 81 -6.427 -27.113 -7.383 1.00 0.00 O ATOM 873 ND2 ASN A 81 -4.860 -26.639 -5.870 1.00 0.00 N ATOM 0 H ASN A 81 -8.592 -26.102 -7.441 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.704 -23.366 -7.178 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.780 -24.258 -6.055 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -7.219 -25.044 -5.437 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.415 -27.549 -5.992 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.475 -25.968 -5.206 1.00 0.00 H new ATOM 880 N TRP A 82 -5.871 -23.158 -8.923 1.00 0.00 N ATOM 881 CA TRP A 82 -5.001 -22.893 -10.063 1.00 0.00 C ATOM 882 C TRP A 82 -3.813 -22.047 -9.603 1.00 0.00 C ATOM 883 O TRP A 82 -3.995 -21.014 -8.944 1.00 0.00 O ATOM 884 CB TRP A 82 -5.792 -22.216 -11.226 1.00 0.00 C ATOM 885 CG TRP A 82 -6.697 -21.061 -10.826 1.00 0.00 C ATOM 886 CD1 TRP A 82 -7.892 -21.139 -10.160 1.00 0.00 C ATOM 887 CD2 TRP A 82 -6.494 -19.677 -11.098 1.00 0.00 C ATOM 888 NE1 TRP A 82 -8.421 -19.886 -9.991 1.00 0.00 N ATOM 889 CE2 TRP A 82 -7.592 -18.975 -10.562 1.00 0.00 C ATOM 890 CE3 TRP A 82 -5.498 -18.953 -11.739 1.00 0.00 C ATOM 891 CZ2 TRP A 82 -7.714 -17.599 -10.654 1.00 0.00 C ATOM 892 CZ3 TRP A 82 -5.623 -17.586 -11.827 1.00 0.00 C ATOM 893 CH2 TRP A 82 -6.723 -16.925 -11.290 1.00 0.00 C ATOM 0 H TRP A 82 -5.902 -22.391 -8.251 1.00 0.00 H new ATOM 0 HA TRP A 82 -4.619 -23.835 -10.458 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -5.077 -21.854 -11.964 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.400 -22.976 -11.717 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -8.351 -22.055 -9.818 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -9.296 -19.672 -9.513 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -4.640 -19.454 -12.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.565 -17.082 -10.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -4.852 -17.015 -12.323 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -6.790 -15.851 -11.381 1.00 0.00 H new ATOM 904 N ARG A 83 -2.600 -22.532 -9.920 1.00 0.00 N ATOM 905 CA ARG A 83 -1.357 -21.832 -9.611 1.00 0.00 C ATOM 906 C ARG A 83 -1.277 -20.566 -10.460 1.00 0.00 C ATOM 907 O ARG A 83 -1.797 -20.522 -11.582 1.00 0.00 O ATOM 908 CB ARG A 83 -0.112 -22.761 -9.838 1.00 0.00 C ATOM 909 CG ARG A 83 0.288 -23.075 -11.322 1.00 0.00 C ATOM 910 CD ARG A 83 1.271 -22.048 -11.939 1.00 0.00 C ATOM 911 NE ARG A 83 1.626 -22.351 -13.347 1.00 0.00 N ATOM 912 CZ ARG A 83 2.831 -22.769 -13.780 1.00 0.00 C ATOM 913 NH1 ARG A 83 3.820 -23.019 -12.923 1.00 0.00 N ATOM 914 NH2 ARG A 83 3.042 -22.930 -15.074 1.00 0.00 N ATOM 0 H ARG A 83 -2.462 -23.422 -10.398 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.350 -21.553 -8.557 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.746 -22.302 -9.347 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.300 -23.708 -9.331 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.740 -24.066 -11.364 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.615 -23.110 -11.932 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.826 -21.054 -11.889 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.181 -22.021 -11.340 1.00 0.00 H new ATOM 0 HE ARG A 83 0.894 -22.233 -14.048 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.671 -22.895 -11.922 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.726 -23.335 -13.268 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.294 -22.738 -15.740 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.953 -23.246 -15.407 1.00 0.00 H new ATOM 928 N VAL A 84 -0.628 -19.546 -9.915 1.00 0.00 N ATOM 929 CA VAL A 84 -0.339 -18.304 -10.627 1.00 0.00 C ATOM 930 C VAL A 84 1.159 -18.062 -10.488 1.00 0.00 C ATOM 931 O VAL A 84 1.634 -17.706 -9.404 1.00 0.00 O ATOM 932 CB VAL A 84 -1.141 -17.073 -10.041 1.00 0.00 C ATOM 933 CG1 VAL A 84 -0.937 -15.800 -10.899 1.00 0.00 C ATOM 934 CG2 VAL A 84 -2.641 -17.401 -9.884 1.00 0.00 C ATOM 0 H VAL A 84 -0.283 -19.556 -8.955 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.644 -18.399 -11.669 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.739 -16.869 -9.048 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.503 -14.975 -10.466 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.122 -15.542 -10.921 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.286 -15.986 -11.915 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.163 -16.534 -9.479 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.061 -17.656 -10.857 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.760 -18.245 -9.205 1.00 0.00 H new ATOM 944 N VAL A 85 1.903 -18.302 -11.573 1.00 0.00 N ATOM 945 CA VAL A 85 3.333 -17.985 -11.631 1.00 0.00 C ATOM 946 C VAL A 85 3.482 -16.591 -12.246 1.00 0.00 C ATOM 947 O VAL A 85 2.862 -16.272 -13.275 1.00 0.00 O ATOM 948 CB VAL A 85 4.188 -19.061 -12.411 1.00 0.00 C ATOM 949 CG1 VAL A 85 3.711 -19.258 -13.858 1.00 0.00 C ATOM 950 CG2 VAL A 85 5.709 -18.737 -12.351 1.00 0.00 C ATOM 0 H VAL A 85 1.535 -18.718 -12.428 1.00 0.00 H new ATOM 0 HA VAL A 85 3.733 -18.001 -10.617 1.00 0.00 H new ATOM 0 HB VAL A 85 4.031 -20.011 -11.900 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.333 -20.008 -14.347 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.673 -19.592 -13.857 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.788 -18.314 -14.398 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.265 -19.498 -12.898 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.891 -17.761 -12.801 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.038 -18.724 -11.312 1.00 0.00 H new ATOM 960 N ALA A 86 4.276 -15.758 -11.582 1.00 0.00 N ATOM 961 CA ALA A 86 4.408 -14.354 -11.903 1.00 0.00 C ATOM 962 C ALA A 86 5.854 -13.926 -11.692 1.00 0.00 C ATOM 963 O ALA A 86 6.348 -13.922 -10.559 1.00 0.00 O ATOM 964 CB ALA A 86 3.453 -13.524 -11.039 1.00 0.00 C ATOM 0 H ALA A 86 4.853 -16.051 -10.793 1.00 0.00 H new ATOM 0 HA ALA A 86 4.143 -14.187 -12.947 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.561 -12.468 -11.289 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.426 -13.838 -11.227 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.692 -13.674 -9.986 1.00 0.00 H new ATOM 970 N ASP A 87 6.528 -13.605 -12.788 1.00 0.00 N ATOM 971 CA ASP A 87 7.890 -13.085 -12.762 1.00 0.00 C ATOM 972 C ASP A 87 7.889 -11.706 -12.096 1.00 0.00 C ATOM 973 O ASP A 87 7.030 -10.871 -12.394 1.00 0.00 O ATOM 974 CB ASP A 87 8.446 -13.004 -14.202 1.00 0.00 C ATOM 975 CG ASP A 87 8.616 -14.378 -14.875 1.00 0.00 C ATOM 976 OD1 ASP A 87 7.608 -15.073 -15.097 1.00 0.00 O ATOM 977 OD2 ASP A 87 9.756 -14.789 -15.173 1.00 0.00 O ATOM 0 H ASP A 87 6.143 -13.699 -13.728 1.00 0.00 H new ATOM 0 HA ASP A 87 8.533 -13.751 -12.187 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.777 -12.393 -14.807 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.410 -12.497 -14.182 1.00 0.00 H new ATOM 982 N VAL A 88 8.831 -11.487 -11.183 1.00 0.00 N ATOM 983 CA VAL A 88 8.922 -10.243 -10.418 1.00 0.00 C ATOM 984 C VAL A 88 10.205 -9.494 -10.793 1.00 0.00 C ATOM 985 O VAL A 88 11.311 -10.050 -10.764 1.00 0.00 O ATOM 986 CB VAL A 88 8.818 -10.509 -8.869 1.00 0.00 C ATOM 987 CG1 VAL A 88 7.385 -10.941 -8.493 1.00 0.00 C ATOM 988 CG2 VAL A 88 9.848 -11.548 -8.365 1.00 0.00 C ATOM 0 H VAL A 88 9.555 -12.167 -10.951 1.00 0.00 H new ATOM 0 HA VAL A 88 8.074 -9.609 -10.676 1.00 0.00 H new ATOM 0 HB VAL A 88 9.055 -9.569 -8.371 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.329 -11.121 -7.419 1.00 0.00 H new ATOM 0 HG12 VAL A 88 6.684 -10.152 -8.766 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.128 -11.855 -9.028 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.727 -11.689 -7.291 1.00 0.00 H new ATOM 0 HG22 VAL A 88 9.687 -12.497 -8.876 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.857 -11.191 -8.573 1.00 0.00 H new ATOM 998 N TYR A 89 10.018 -8.226 -11.179 1.00 0.00 N ATOM 999 CA TYR A 89 11.038 -7.383 -11.812 1.00 0.00 C ATOM 1000 C TYR A 89 11.393 -6.204 -10.899 1.00 0.00 C ATOM 1001 O TYR A 89 10.654 -5.867 -9.964 1.00 0.00 O ATOM 1002 CB TYR A 89 10.504 -6.830 -13.167 1.00 0.00 C ATOM 1003 CG TYR A 89 10.091 -7.885 -14.207 1.00 0.00 C ATOM 1004 CD1 TYR A 89 8.923 -8.631 -14.051 1.00 0.00 C ATOM 1005 CD2 TYR A 89 10.846 -8.108 -15.361 1.00 0.00 C ATOM 1006 CE1 TYR A 89 8.533 -9.558 -14.996 1.00 0.00 C ATOM 1007 CE2 TYR A 89 10.455 -9.038 -16.309 1.00 0.00 C ATOM 1008 CZ TYR A 89 9.298 -9.761 -16.124 1.00 0.00 C ATOM 1009 OH TYR A 89 8.907 -10.694 -17.070 1.00 0.00 O ATOM 0 H TYR A 89 9.127 -7.745 -11.056 1.00 0.00 H new ATOM 0 HA TYR A 89 11.927 -7.989 -11.986 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.644 -6.192 -12.963 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.274 -6.196 -13.607 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.312 -8.480 -13.173 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.753 -7.543 -15.517 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.626 -10.126 -14.851 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.056 -9.196 -17.192 1.00 0.00 H new ATOM 0 HH TYR A 89 9.558 -10.710 -17.802 1.00 0.00 H new ATOM 1019 N LYS A 90 12.542 -5.585 -11.187 1.00 0.00 N ATOM 1020 CA LYS A 90 12.951 -4.308 -10.588 1.00 0.00 C ATOM 1021 C LYS A 90 12.830 -3.191 -11.639 1.00 0.00 C ATOM 1022 O LYS A 90 12.591 -3.460 -12.825 1.00 0.00 O ATOM 1023 CB LYS A 90 14.401 -4.409 -10.043 1.00 0.00 C ATOM 1024 CG LYS A 90 14.587 -5.413 -8.878 1.00 0.00 C ATOM 1025 CD LYS A 90 13.759 -5.042 -7.617 1.00 0.00 C ATOM 1026 CE LYS A 90 14.127 -3.661 -7.037 1.00 0.00 C ATOM 1027 NZ LYS A 90 13.401 -3.371 -5.778 1.00 0.00 N ATOM 0 H LYS A 90 13.222 -5.959 -11.849 1.00 0.00 H new ATOM 0 HA LYS A 90 12.297 -4.071 -9.749 1.00 0.00 H new ATOM 0 HB2 LYS A 90 15.063 -4.696 -10.860 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.718 -3.422 -9.708 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.299 -6.409 -9.215 1.00 0.00 H new ATOM 0 HG3 LYS A 90 15.643 -5.460 -8.611 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.699 -5.053 -7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 90 13.912 -5.803 -6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 90 15.201 -3.621 -6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.900 -2.888 -7.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 13.315 -2.342 -5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.452 -3.795 -5.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 13.925 -3.772 -4.975 1.00 0.00 H new ATOM 1041 N ALA A 91 12.973 -1.936 -11.187 1.00 0.00 N ATOM 1042 CA ALA A 91 12.909 -0.754 -12.063 1.00 0.00 C ATOM 1043 C ALA A 91 14.333 -0.365 -12.525 1.00 0.00 C ATOM 1044 O ALA A 91 15.164 -0.005 -11.663 1.00 0.00 O ATOM 1045 CB ALA A 91 12.199 0.410 -11.344 1.00 0.00 C ATOM 1046 OXT ALA A 91 14.628 -0.429 -13.735 1.00 0.00 O ATOM 0 H ALA A 91 13.136 -1.711 -10.206 1.00 0.00 H new ATOM 0 HA ALA A 91 12.323 -0.991 -12.951 1.00 0.00 H new ATOM 0 HB1 ALA A 91 12.160 1.276 -12.005 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.185 0.110 -11.079 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.749 0.669 -10.439 1.00 0.00 H new TER 1052 ALA A 91