USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 777 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 106 GLN : amide:sc= -0.221 K(o=0.65,f=-6.8!) USER MOD Set 1.2: A 107 LYS NZ :NH3+ -144:sc= 0.874 (180deg=0) USER MOD Set 2.1: A 46 ASN : amide:sc= -0.224 K(o=1.2,f=-9.3!) USER MOD Set 2.2: A 50 LYS NZ :NH3+ 175:sc= 1.41 (180deg=0.029) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0186 USER MOD Single : A 22 GLN : amide:sc= -1.05 K(o=-1.1,f=-0.012) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc=-0.00262 X(o=-0.0026,f=-0.17) USER MOD Single : A 35 THR OG1 : rot 80:sc= 1.06 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 164:sc= 2.2 (180deg=1.79) USER MOD Single : A 44 THR OG1 : rot 90:sc= 1.23 USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0282) USER MOD Single : A 58 THR OG1 : rot 74:sc= 1.17 USER MOD Single : A 60 SER OG : rot 63:sc= 1.03 USER MOD Single : A 67 SER OG : rot 73:sc= 0.155 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.578 K(o=-0.58,f=-2.5) USER MOD Single : A 76 LYS NZ :NH3+ -150:sc= -1.17 (180deg=-3.01!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -161:sc= 1.17 (180deg=1.06) USER MOD Single : A 87 ASN : amide:sc= 0.188 X(o=0.19,f=-0.26) USER MOD Single : A 94 THR OG1 : rot 81:sc= 1.26 USER MOD Single : A 100 LYS NZ :NH3+ -149:sc= -1.15 (180deg=-2.66!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -3.79! K(o=-3.8!,f=-0.26) USER MOD Single : A 112 SER OG : rot 67:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 20 11.563 7.587 0.719 1.00 0.00 N ATOM 32 CA ALA A 20 10.828 6.341 0.817 1.00 0.00 C ATOM 33 C ALA A 20 9.334 6.585 0.831 1.00 0.00 C ATOM 34 O ALA A 20 8.577 5.937 0.108 1.00 0.00 O ATOM 35 CB ALA A 20 11.245 5.614 2.063 1.00 0.00 C ATOM 0 HA ALA A 20 11.057 5.733 -0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.694 4.677 2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.314 5.404 2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.031 6.233 2.934 1.00 0.00 H new ATOM 41 N THR A 21 8.919 7.534 1.630 1.00 0.00 N ATOM 42 CA THR A 21 7.526 7.884 1.747 1.00 0.00 C ATOM 43 C THR A 21 7.025 8.488 0.418 1.00 0.00 C ATOM 44 O THR A 21 5.863 8.313 0.036 1.00 0.00 O ATOM 45 CB THR A 21 7.356 8.906 2.856 1.00 0.00 C ATOM 46 OG1 THR A 21 8.208 8.542 3.967 1.00 0.00 O ATOM 47 CG2 THR A 21 5.924 8.931 3.334 1.00 0.00 C ATOM 0 H THR A 21 9.540 8.088 2.220 1.00 0.00 H new ATOM 0 HA THR A 21 6.949 6.989 1.977 1.00 0.00 H new ATOM 0 HB THR A 21 7.624 9.890 2.473 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.105 9.199 4.687 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.819 9.669 4.129 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.268 9.195 2.505 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.650 7.947 3.714 1.00 0.00 H new ATOM 55 N GLN A 22 7.927 9.184 -0.282 1.00 0.00 N ATOM 56 CA GLN A 22 7.633 9.754 -1.591 1.00 0.00 C ATOM 57 C GLN A 22 7.389 8.621 -2.579 1.00 0.00 C ATOM 58 O GLN A 22 6.472 8.670 -3.392 1.00 0.00 O ATOM 59 CB GLN A 22 8.808 10.614 -2.069 1.00 0.00 C ATOM 60 CG GLN A 22 8.598 11.279 -3.425 1.00 0.00 C ATOM 61 CD GLN A 22 9.826 12.027 -3.922 1.00 0.00 C ATOM 62 OE1 GLN A 22 9.716 13.027 -4.623 1.00 0.00 O ATOM 63 NE2 GLN A 22 11.001 11.529 -3.607 1.00 0.00 N ATOM 0 H GLN A 22 8.876 9.365 0.045 1.00 0.00 H new ATOM 0 HA GLN A 22 6.746 10.384 -1.522 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.001 11.388 -1.326 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.701 9.991 -2.119 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.323 10.519 -4.156 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.761 11.973 -3.356 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.061 10.696 -3.022 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.852 11.976 -3.948 1.00 0.00 H new ATOM 72 N ARG A 23 8.192 7.577 -2.467 1.00 0.00 N ATOM 73 CA ARG A 23 8.069 6.424 -3.327 1.00 0.00 C ATOM 74 C ARG A 23 6.770 5.665 -3.025 1.00 0.00 C ATOM 75 O ARG A 23 6.203 5.012 -3.898 1.00 0.00 O ATOM 76 CB ARG A 23 9.305 5.511 -3.208 1.00 0.00 C ATOM 77 CG ARG A 23 9.328 4.282 -4.139 1.00 0.00 C ATOM 78 CD ARG A 23 9.457 4.621 -5.641 1.00 0.00 C ATOM 79 NE ARG A 23 8.342 5.414 -6.178 1.00 0.00 N ATOM 80 CZ ARG A 23 7.349 4.948 -6.949 1.00 0.00 C ATOM 81 NH1 ARG A 23 7.274 3.652 -7.272 1.00 0.00 N ATOM 82 NH2 ARG A 23 6.430 5.791 -7.379 1.00 0.00 N ATOM 0 H ARG A 23 8.942 7.509 -1.779 1.00 0.00 H new ATOM 0 HA ARG A 23 8.021 6.767 -4.361 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.195 6.109 -3.406 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.378 5.163 -2.178 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.160 3.639 -3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.414 3.708 -3.986 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.386 5.168 -5.800 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.533 3.692 -6.206 1.00 0.00 H new ATOM 0 HE ARG A 23 8.322 6.406 -5.943 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.980 3.000 -6.931 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.511 3.316 -7.860 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.483 6.777 -7.124 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.666 5.457 -7.967 1.00 0.00 H new ATOM 96 N PHE A 24 6.275 5.777 -1.803 1.00 0.00 N ATOM 97 CA PHE A 24 5.004 5.151 -1.482 1.00 0.00 C ATOM 98 C PHE A 24 3.845 6.137 -1.511 1.00 0.00 C ATOM 99 O PHE A 24 2.748 5.833 -1.048 1.00 0.00 O ATOM 100 CB PHE A 24 5.035 4.293 -0.192 1.00 0.00 C ATOM 101 CG PHE A 24 5.683 2.928 -0.379 1.00 0.00 C ATOM 102 CD1 PHE A 24 5.510 2.224 -1.575 1.00 0.00 C ATOM 103 CD2 PHE A 24 6.438 2.325 0.629 1.00 0.00 C ATOM 104 CE1 PHE A 24 6.066 0.985 -1.759 1.00 0.00 C ATOM 105 CE2 PHE A 24 6.992 1.078 0.424 1.00 0.00 C ATOM 106 CZ PHE A 24 6.806 0.415 -0.761 1.00 0.00 C ATOM 0 H PHE A 24 6.720 6.281 -1.036 1.00 0.00 H new ATOM 0 HA PHE A 24 4.823 4.438 -2.286 1.00 0.00 H new ATOM 0 HB2 PHE A 24 5.574 4.838 0.583 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.015 4.155 0.166 1.00 0.00 H new ATOM 0 HD1 PHE A 24 4.927 2.666 -2.369 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.588 2.835 1.569 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.920 0.460 -2.691 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.579 0.619 1.206 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.245 -0.561 -0.907 1.00 0.00 H new ATOM 116 N HIS A 25 4.066 7.287 -2.152 1.00 0.00 N ATOM 117 CA HIS A 25 3.023 8.312 -2.293 1.00 0.00 C ATOM 118 C HIS A 25 1.859 7.779 -3.129 1.00 0.00 C ATOM 119 O HIS A 25 0.704 8.149 -2.913 1.00 0.00 O ATOM 120 CB HIS A 25 3.593 9.605 -2.907 1.00 0.00 C ATOM 121 CG HIS A 25 2.603 10.726 -3.048 1.00 0.00 C ATOM 122 ND1 HIS A 25 2.275 11.292 -4.255 1.00 0.00 N ATOM 123 CD2 HIS A 25 1.893 11.400 -2.118 1.00 0.00 C ATOM 124 CE1 HIS A 25 1.415 12.264 -4.059 1.00 0.00 C ATOM 125 NE2 HIS A 25 1.165 12.347 -2.776 1.00 0.00 N ATOM 0 H HIS A 25 4.957 7.534 -2.582 1.00 0.00 H new ATOM 0 HA HIS A 25 2.650 8.555 -1.298 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.423 9.948 -2.290 1.00 0.00 H new ATOM 0 HB3 HIS A 25 4.001 9.374 -3.891 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.900 11.222 -1.053 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.986 12.890 -4.827 1.00 0.00 H new ATOM 0 HE2 HIS A 25 0.528 13.013 -2.339 1.00 0.00 H new ATOM 134 N GLU A 26 2.165 6.890 -4.060 1.00 0.00 N ATOM 135 CA GLU A 26 1.139 6.276 -4.873 1.00 0.00 C ATOM 136 C GLU A 26 0.276 5.340 -4.034 1.00 0.00 C ATOM 137 O GLU A 26 -0.921 5.234 -4.237 1.00 0.00 O ATOM 138 CB GLU A 26 1.728 5.537 -6.078 1.00 0.00 C ATOM 139 CG GLU A 26 2.401 6.447 -7.091 1.00 0.00 C ATOM 140 CD GLU A 26 2.881 5.707 -8.325 1.00 0.00 C ATOM 141 OE1 GLU A 26 2.056 5.116 -9.029 1.00 0.00 O ATOM 142 OE2 GLU A 26 4.096 5.718 -8.615 1.00 0.00 O ATOM 0 H GLU A 26 3.115 6.581 -4.268 1.00 0.00 H new ATOM 0 HA GLU A 26 0.509 7.077 -5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.454 4.805 -5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.933 4.982 -6.575 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.702 7.227 -7.391 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.249 6.943 -6.619 1.00 0.00 H new ATOM 149 N ILE A 27 0.868 4.722 -3.054 1.00 0.00 N ATOM 150 CA ILE A 27 0.127 3.807 -2.218 1.00 0.00 C ATOM 151 C ILE A 27 -0.692 4.612 -1.212 1.00 0.00 C ATOM 152 O ILE A 27 -1.818 4.246 -0.865 1.00 0.00 O ATOM 153 CB ILE A 27 1.045 2.808 -1.479 1.00 0.00 C ATOM 154 CG1 ILE A 27 2.058 2.171 -2.448 1.00 0.00 C ATOM 155 CG2 ILE A 27 0.199 1.721 -0.838 1.00 0.00 C ATOM 156 CD1 ILE A 27 1.438 1.405 -3.598 1.00 0.00 C ATOM 0 H ILE A 27 1.853 4.829 -2.811 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.528 3.217 -2.859 1.00 0.00 H new ATOM 0 HB ILE A 27 1.598 3.349 -0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.695 2.957 -2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.703 1.496 -1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.846 1.016 -0.317 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.494 2.171 -0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.363 1.195 -1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.226 0.992 -4.227 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.824 0.594 -3.206 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.816 2.077 -4.190 1.00 0.00 H new ATOM 168 N GLU A 28 -0.119 5.728 -0.780 1.00 0.00 N ATOM 169 CA GLU A 28 -0.774 6.645 0.141 1.00 0.00 C ATOM 170 C GLU A 28 -2.071 7.147 -0.485 1.00 0.00 C ATOM 171 O GLU A 28 -3.138 7.126 0.150 1.00 0.00 O ATOM 172 CB GLU A 28 0.141 7.842 0.421 1.00 0.00 C ATOM 173 CG GLU A 28 -0.348 8.767 1.528 1.00 0.00 C ATOM 174 CD GLU A 28 -0.172 8.170 2.902 1.00 0.00 C ATOM 175 OE1 GLU A 28 -0.883 7.229 3.270 1.00 0.00 O ATOM 176 OE2 GLU A 28 0.716 8.651 3.660 1.00 0.00 O ATOM 0 H GLU A 28 0.816 6.023 -1.060 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.987 6.124 1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.131 7.472 0.686 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.252 8.421 -0.496 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.194 9.711 1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.402 8.995 1.367 1.00 0.00 H new ATOM 183 N LYS A 29 -1.980 7.565 -1.757 1.00 0.00 N ATOM 184 CA LYS A 29 -3.145 8.059 -2.467 1.00 0.00 C ATOM 185 C LYS A 29 -4.177 6.957 -2.599 1.00 0.00 C ATOM 186 O LYS A 29 -5.345 7.218 -2.444 1.00 0.00 O ATOM 187 CB LYS A 29 -2.821 8.694 -3.849 1.00 0.00 C ATOM 188 CG LYS A 29 -2.365 7.712 -4.913 1.00 0.00 C ATOM 189 CD LYS A 29 -2.084 8.376 -6.243 1.00 0.00 C ATOM 190 CE LYS A 29 -1.571 7.362 -7.262 1.00 0.00 C ATOM 191 NZ LYS A 29 -1.178 7.993 -8.540 1.00 0.00 N ATOM 0 H LYS A 29 -1.117 7.567 -2.301 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.553 8.872 -1.867 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.708 9.213 -4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.044 9.447 -3.713 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.465 7.203 -4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.131 6.948 -5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.993 8.846 -6.618 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.347 9.168 -6.110 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.715 6.833 -6.844 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.345 6.618 -7.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.837 7.263 -9.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.000 8.477 -8.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.420 8.684 -8.367 1.00 0.00 H new ATOM 205 N PHE A 30 -3.730 5.712 -2.849 1.00 0.00 N ATOM 206 CA PHE A 30 -4.649 4.575 -2.903 1.00 0.00 C ATOM 207 C PHE A 30 -5.401 4.412 -1.611 1.00 0.00 C ATOM 208 O PHE A 30 -6.614 4.310 -1.615 1.00 0.00 O ATOM 209 CB PHE A 30 -3.942 3.260 -3.213 1.00 0.00 C ATOM 210 CG PHE A 30 -3.856 2.920 -4.663 1.00 0.00 C ATOM 211 CD1 PHE A 30 -4.974 2.454 -5.331 1.00 0.00 C ATOM 212 CD2 PHE A 30 -2.676 3.050 -5.357 1.00 0.00 C ATOM 213 CE1 PHE A 30 -4.911 2.127 -6.663 1.00 0.00 C ATOM 214 CE2 PHE A 30 -2.603 2.722 -6.689 1.00 0.00 C ATOM 215 CZ PHE A 30 -3.722 2.261 -7.345 1.00 0.00 C ATOM 0 H PHE A 30 -2.751 5.476 -3.014 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.341 4.802 -3.714 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.933 3.302 -2.804 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.462 2.454 -2.696 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.907 2.346 -4.799 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.796 3.415 -4.849 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.791 1.766 -7.174 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.669 2.826 -7.221 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.668 2.005 -8.393 1.00 0.00 H new ATOM 225 N LEU A 31 -4.684 4.441 -0.516 1.00 0.00 N ATOM 226 CA LEU A 31 -5.260 4.214 0.796 1.00 0.00 C ATOM 227 C LEU A 31 -6.333 5.255 1.126 1.00 0.00 C ATOM 228 O LEU A 31 -7.467 4.902 1.535 1.00 0.00 O ATOM 229 CB LEU A 31 -4.142 4.203 1.852 1.00 0.00 C ATOM 230 CG LEU A 31 -4.548 3.941 3.304 1.00 0.00 C ATOM 231 CD1 LEU A 31 -5.164 2.571 3.447 1.00 0.00 C ATOM 232 CD2 LEU A 31 -3.345 4.063 4.211 1.00 0.00 C ATOM 0 H LEU A 31 -3.680 4.623 -0.504 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.755 3.243 0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.414 3.445 1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.632 5.166 1.813 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.290 4.686 3.592 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.445 2.405 4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.050 2.503 2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.442 1.814 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.646 3.875 5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.590 3.335 3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.930 5.068 4.132 1.00 0.00 H new ATOM 244 N LEU A 32 -6.022 6.510 0.907 1.00 0.00 N ATOM 245 CA LEU A 32 -6.977 7.556 1.175 1.00 0.00 C ATOM 246 C LEU A 32 -8.135 7.521 0.164 1.00 0.00 C ATOM 247 O LEU A 32 -9.305 7.731 0.521 1.00 0.00 O ATOM 248 CB LEU A 32 -6.283 8.941 1.329 1.00 0.00 C ATOM 249 CG LEU A 32 -5.418 9.467 0.168 1.00 0.00 C ATOM 250 CD1 LEU A 32 -6.254 10.014 -0.971 1.00 0.00 C ATOM 251 CD2 LEU A 32 -4.437 10.510 0.667 1.00 0.00 C ATOM 0 H LEU A 32 -5.123 6.829 0.547 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.440 7.372 2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.060 9.680 1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.653 8.898 2.218 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.859 8.619 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.598 10.372 -1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.898 9.226 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.868 10.838 -0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.834 10.871 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.985 11.344 1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.786 10.066 1.420 1.00 0.00 H new ATOM 263 N HIS A 33 -7.799 7.169 -1.076 1.00 0.00 N ATOM 264 CA HIS A 33 -8.755 7.043 -2.176 1.00 0.00 C ATOM 265 C HIS A 33 -9.779 5.990 -1.844 1.00 0.00 C ATOM 266 O HIS A 33 -10.975 6.242 -1.952 1.00 0.00 O ATOM 267 CB HIS A 33 -8.020 6.630 -3.459 1.00 0.00 C ATOM 268 CG HIS A 33 -8.846 6.538 -4.702 1.00 0.00 C ATOM 269 ND1 HIS A 33 -9.434 5.368 -5.144 1.00 0.00 N ATOM 270 CD2 HIS A 33 -9.112 7.460 -5.646 1.00 0.00 C ATOM 271 CE1 HIS A 33 -9.999 5.587 -6.302 1.00 0.00 C ATOM 272 NE2 HIS A 33 -9.823 6.843 -6.624 1.00 0.00 N ATOM 0 H HIS A 33 -6.839 6.960 -1.349 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.248 8.004 -2.325 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -7.216 7.344 -3.636 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.553 5.660 -3.287 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.815 8.498 -5.629 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -10.524 4.853 -6.895 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -10.166 7.288 -7.475 1.00 0.00 H new ATOM 281 N ILE A 34 -9.292 4.820 -1.409 1.00 0.00 N ATOM 282 CA ILE A 34 -10.121 3.687 -1.118 1.00 0.00 C ATOM 283 C ILE A 34 -11.079 4.002 0.001 1.00 0.00 C ATOM 284 O ILE A 34 -12.237 3.732 -0.117 1.00 0.00 O ATOM 285 CB ILE A 34 -9.251 2.426 -0.809 1.00 0.00 C ATOM 286 CG1 ILE A 34 -8.521 1.980 -2.092 1.00 0.00 C ATOM 287 CG2 ILE A 34 -10.077 1.279 -0.219 1.00 0.00 C ATOM 288 CD1 ILE A 34 -7.578 0.814 -1.907 1.00 0.00 C ATOM 0 H ILE A 34 -8.298 4.652 -1.254 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.718 3.457 -2.000 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.518 2.698 -0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.265 1.713 -2.843 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.958 2.826 -2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.427 0.426 -0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.540 1.605 0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.853 0.988 -0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.110 0.570 -2.861 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.808 1.080 -1.182 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.135 -0.050 -1.544 1.00 0.00 H new ATOM 300 N THR A 35 -10.598 4.665 1.035 1.00 0.00 N ATOM 301 CA THR A 35 -11.439 5.010 2.179 1.00 0.00 C ATOM 302 C THR A 35 -12.636 5.920 1.748 1.00 0.00 C ATOM 303 O THR A 35 -13.815 5.636 2.064 1.00 0.00 O ATOM 304 CB THR A 35 -10.598 5.723 3.243 1.00 0.00 C ATOM 305 OG1 THR A 35 -9.383 4.968 3.473 1.00 0.00 O ATOM 306 CG2 THR A 35 -11.365 5.838 4.553 1.00 0.00 C ATOM 0 H THR A 35 -9.630 4.978 1.112 1.00 0.00 H new ATOM 0 HA THR A 35 -11.847 4.088 2.593 1.00 0.00 H new ATOM 0 HB THR A 35 -10.362 6.725 2.886 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.735 5.167 2.765 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.747 6.348 5.293 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.280 6.407 4.390 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.617 4.842 4.916 1.00 0.00 H new ATOM 314 N HIS A 36 -12.345 6.965 0.973 1.00 0.00 N ATOM 315 CA HIS A 36 -13.404 7.864 0.504 1.00 0.00 C ATOM 316 C HIS A 36 -14.319 7.120 -0.452 1.00 0.00 C ATOM 317 O HIS A 36 -15.521 7.353 -0.497 1.00 0.00 O ATOM 318 CB HIS A 36 -12.819 9.099 -0.187 1.00 0.00 C ATOM 319 CG HIS A 36 -13.855 10.108 -0.585 1.00 0.00 C ATOM 320 ND1 HIS A 36 -14.308 10.263 -1.871 1.00 0.00 N ATOM 321 CD2 HIS A 36 -14.536 11.004 0.160 1.00 0.00 C ATOM 322 CE1 HIS A 36 -15.218 11.208 -1.894 1.00 0.00 C ATOM 323 NE2 HIS A 36 -15.380 11.674 -0.678 1.00 0.00 N ATOM 0 H HIS A 36 -11.405 7.209 0.661 1.00 0.00 H new ATOM 0 HA HIS A 36 -13.974 8.201 1.369 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -12.099 9.573 0.481 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.270 8.784 -1.075 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -14.432 11.162 1.223 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.748 11.547 -2.772 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -16.028 12.413 -0.405 1.00 0.00 H new ATOM 332 N GLU A 37 -13.729 6.214 -1.175 1.00 0.00 N ATOM 333 CA GLU A 37 -14.411 5.390 -2.118 1.00 0.00 C ATOM 334 C GLU A 37 -15.340 4.419 -1.375 1.00 0.00 C ATOM 335 O GLU A 37 -16.385 4.091 -1.856 1.00 0.00 O ATOM 336 CB GLU A 37 -13.377 4.710 -3.010 1.00 0.00 C ATOM 337 CG GLU A 37 -13.897 4.000 -4.229 1.00 0.00 C ATOM 338 CD GLU A 37 -12.788 3.807 -5.242 1.00 0.00 C ATOM 339 OE1 GLU A 37 -11.660 3.417 -4.859 1.00 0.00 O ATOM 340 OE2 GLU A 37 -13.012 4.069 -6.457 1.00 0.00 O ATOM 0 H GLU A 37 -12.728 6.026 -1.120 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.056 5.975 -2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.660 5.464 -3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.828 3.989 -2.405 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -14.311 3.032 -3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.709 4.576 -4.674 1.00 0.00 H new ATOM 347 N VAL A 38 -14.951 4.025 -0.160 1.00 0.00 N ATOM 348 CA VAL A 38 -15.743 3.150 0.693 1.00 0.00 C ATOM 349 C VAL A 38 -17.045 3.815 0.994 1.00 0.00 C ATOM 350 O VAL A 38 -18.130 3.183 0.881 1.00 0.00 O ATOM 351 CB VAL A 38 -15.017 2.830 2.037 1.00 0.00 C ATOM 352 CG1 VAL A 38 -15.922 2.070 2.998 1.00 0.00 C ATOM 353 CG2 VAL A 38 -13.773 2.027 1.782 1.00 0.00 C ATOM 0 H VAL A 38 -14.066 4.311 0.260 1.00 0.00 H new ATOM 0 HA VAL A 38 -15.896 2.211 0.161 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.751 3.782 2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.381 1.865 3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -16.804 2.671 3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -16.229 1.129 2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.278 1.812 2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.038 1.091 1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.099 2.595 1.141 1.00 0.00 H new ATOM 363 N ASP A 39 -16.956 5.081 1.371 1.00 0.00 N ATOM 364 CA ASP A 39 -18.157 5.857 1.621 1.00 0.00 C ATOM 365 C ASP A 39 -18.952 6.049 0.345 1.00 0.00 C ATOM 366 O ASP A 39 -20.186 5.933 0.336 1.00 0.00 O ATOM 367 CB ASP A 39 -17.880 7.212 2.285 1.00 0.00 C ATOM 368 CG ASP A 39 -19.119 8.113 2.291 1.00 0.00 C ATOM 369 OD1 ASP A 39 -20.118 7.796 2.973 1.00 0.00 O ATOM 370 OD2 ASP A 39 -19.106 9.168 1.616 1.00 0.00 O ATOM 0 H ASP A 39 -16.080 5.585 1.508 1.00 0.00 H new ATOM 0 HA ASP A 39 -18.747 5.277 2.331 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -17.544 7.052 3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.069 7.715 1.758 1.00 0.00 H new ATOM 375 N ASP A 40 -18.231 6.253 -0.742 1.00 0.00 N ATOM 376 CA ASP A 40 -18.806 6.502 -2.022 1.00 0.00 C ATOM 377 C ASP A 40 -19.625 5.329 -2.444 1.00 0.00 C ATOM 378 O ASP A 40 -20.777 5.497 -2.736 1.00 0.00 O ATOM 379 CB ASP A 40 -17.705 6.790 -3.045 1.00 0.00 C ATOM 380 CG ASP A 40 -18.216 7.106 -4.427 1.00 0.00 C ATOM 381 OD1 ASP A 40 -18.511 6.188 -5.186 1.00 0.00 O ATOM 382 OD2 ASP A 40 -18.292 8.306 -4.786 1.00 0.00 O ATOM 0 H ASP A 40 -17.211 6.247 -0.745 1.00 0.00 H new ATOM 0 HA ASP A 40 -19.455 7.376 -1.962 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -17.105 7.628 -2.691 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -17.043 5.926 -3.103 1.00 0.00 H new ATOM 387 N LEU A 41 -19.067 4.124 -2.326 1.00 0.00 N ATOM 388 CA LEU A 41 -19.760 2.900 -2.743 1.00 0.00 C ATOM 389 C LEU A 41 -20.977 2.760 -1.930 1.00 0.00 C ATOM 390 O LEU A 41 -22.031 2.473 -2.419 1.00 0.00 O ATOM 391 CB LEU A 41 -18.978 1.665 -2.400 1.00 0.00 C ATOM 392 CG LEU A 41 -17.543 1.589 -2.764 1.00 0.00 C ATOM 393 CD1 LEU A 41 -17.028 0.305 -2.217 1.00 0.00 C ATOM 394 CD2 LEU A 41 -17.326 1.690 -4.269 1.00 0.00 C ATOM 0 H LEU A 41 -18.134 3.967 -1.944 1.00 0.00 H new ATOM 0 HA LEU A 41 -19.927 2.984 -3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -19.050 1.521 -1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -19.480 0.819 -2.869 1.00 0.00 H new ATOM 0 HG LEU A 41 -17.000 2.434 -2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -15.970 0.204 -2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -17.153 0.294 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -17.582 -0.525 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -16.260 1.630 -4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.846 0.872 -4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -17.717 2.641 -4.630 1.00 0.00 H new ATOM 406 N GLU A 42 -20.791 3.017 -0.665 1.00 0.00 N ATOM 407 CA GLU A 42 -21.787 2.815 0.332 1.00 0.00 C ATOM 408 C GLU A 42 -23.031 3.648 0.065 1.00 0.00 C ATOM 409 O GLU A 42 -24.148 3.204 0.310 1.00 0.00 O ATOM 410 CB GLU A 42 -21.194 3.131 1.682 1.00 0.00 C ATOM 411 CG GLU A 42 -22.000 2.659 2.855 1.00 0.00 C ATOM 412 CD GLU A 42 -21.238 2.838 4.121 1.00 0.00 C ATOM 413 OE1 GLU A 42 -20.350 2.006 4.411 1.00 0.00 O ATOM 414 OE2 GLU A 42 -21.478 3.826 4.821 1.00 0.00 O ATOM 0 H GLU A 42 -19.914 3.383 -0.296 1.00 0.00 H new ATOM 0 HA GLU A 42 -22.106 1.773 0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -20.201 2.685 1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -21.063 4.210 1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -22.937 3.214 2.906 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -22.259 1.608 2.726 1.00 0.00 H new ATOM 421 N LYS A 43 -22.844 4.833 -0.484 1.00 0.00 N ATOM 422 CA LYS A 43 -23.972 5.702 -0.718 1.00 0.00 C ATOM 423 C LYS A 43 -24.424 5.592 -2.155 1.00 0.00 C ATOM 424 O LYS A 43 -25.548 5.942 -2.506 1.00 0.00 O ATOM 425 CB LYS A 43 -23.633 7.147 -0.334 1.00 0.00 C ATOM 426 CG LYS A 43 -23.087 7.288 1.092 1.00 0.00 C ATOM 427 CD LYS A 43 -23.914 6.467 2.077 1.00 0.00 C ATOM 428 CE LYS A 43 -23.515 6.717 3.540 1.00 0.00 C ATOM 429 NZ LYS A 43 -22.114 6.323 3.887 1.00 0.00 N ATOM 0 H LYS A 43 -21.939 5.207 -0.770 1.00 0.00 H new ATOM 0 HA LYS A 43 -24.800 5.387 -0.084 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -22.897 7.538 -1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -24.528 7.761 -0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.048 6.960 1.122 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -23.098 8.337 1.388 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.969 6.706 1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -23.797 5.408 1.849 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -23.644 7.777 3.761 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -24.201 6.171 4.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -21.843 6.763 4.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -22.056 5.288 3.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -21.468 6.643 3.138 1.00 0.00 H new ATOM 443 N THR A 44 -23.551 5.073 -2.950 1.00 0.00 N ATOM 444 CA THR A 44 -23.758 4.848 -4.345 1.00 0.00 C ATOM 445 C THR A 44 -24.528 3.538 -4.577 1.00 0.00 C ATOM 446 O THR A 44 -25.280 3.410 -5.545 1.00 0.00 O ATOM 447 CB THR A 44 -22.373 4.867 -5.025 1.00 0.00 C ATOM 448 OG1 THR A 44 -21.844 6.202 -4.996 1.00 0.00 O ATOM 449 CG2 THR A 44 -22.344 4.348 -6.416 1.00 0.00 C ATOM 0 H THR A 44 -22.628 4.779 -2.631 1.00 0.00 H new ATOM 0 HA THR A 44 -24.378 5.629 -4.786 1.00 0.00 H new ATOM 0 HB THR A 44 -21.755 4.179 -4.448 1.00 0.00 H new ATOM 0 HG1 THR A 44 -21.329 6.332 -4.173 1.00 0.00 H new ATOM 0 HG21 THR A 44 -21.327 4.404 -6.804 1.00 0.00 H new ATOM 0 HG22 THR A 44 -22.679 3.311 -6.424 1.00 0.00 H new ATOM 0 HG23 THR A 44 -23.005 4.948 -7.042 1.00 0.00 H new ATOM 457 N GLY A 45 -24.372 2.591 -3.680 1.00 0.00 N ATOM 458 CA GLY A 45 -25.107 1.358 -3.811 1.00 0.00 C ATOM 459 C GLY A 45 -24.745 0.377 -2.746 1.00 0.00 C ATOM 460 O GLY A 45 -25.608 -0.043 -1.968 1.00 0.00 O ATOM 0 H GLY A 45 -23.756 2.649 -2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -26.176 1.566 -3.764 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -24.910 0.920 -4.790 1.00 0.00 H new ATOM 464 N ASN A 46 -23.464 -0.003 -2.740 1.00 0.00 N ATOM 465 CA ASN A 46 -22.855 -0.919 -1.758 1.00 0.00 C ATOM 466 C ASN A 46 -23.284 -2.347 -2.109 1.00 0.00 C ATOM 467 O ASN A 46 -23.259 -3.250 -1.278 1.00 0.00 O ATOM 468 CB ASN A 46 -23.299 -0.523 -0.319 1.00 0.00 C ATOM 469 CG ASN A 46 -22.441 -1.084 0.794 1.00 0.00 C ATOM 470 OD1 ASN A 46 -21.444 -0.471 1.186 1.00 0.00 O ATOM 471 ND2 ASN A 46 -22.829 -2.194 1.342 1.00 0.00 N ATOM 0 H ASN A 46 -22.797 0.326 -3.438 1.00 0.00 H new ATOM 0 HA ASN A 46 -21.767 -0.856 -1.790 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -23.301 0.564 -0.242 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -24.326 -0.855 -0.168 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -22.305 -2.587 2.124 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -23.658 -2.673 0.991 1.00 0.00 H new ATOM 478 N LYS A 47 -23.621 -2.546 -3.382 1.00 0.00 N ATOM 479 CA LYS A 47 -24.210 -3.815 -3.836 1.00 0.00 C ATOM 480 C LYS A 47 -23.219 -4.993 -3.784 1.00 0.00 C ATOM 481 O LYS A 47 -23.496 -6.017 -3.160 1.00 0.00 O ATOM 482 CB LYS A 47 -24.767 -3.640 -5.250 1.00 0.00 C ATOM 483 CG LYS A 47 -25.664 -2.418 -5.407 1.00 0.00 C ATOM 484 CD LYS A 47 -26.135 -2.243 -6.838 1.00 0.00 C ATOM 485 CE LYS A 47 -26.869 -0.921 -7.031 1.00 0.00 C ATOM 486 NZ LYS A 47 -28.084 -0.804 -6.190 1.00 0.00 N ATOM 0 H LYS A 47 -23.499 -1.851 -4.119 1.00 0.00 H new ATOM 0 HA LYS A 47 -25.016 -4.067 -3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -23.936 -3.563 -5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -25.332 -4.532 -5.522 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -26.528 -2.515 -4.750 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -25.122 -1.527 -5.092 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -25.279 -2.286 -7.511 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -26.794 -3.068 -7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -26.192 -0.099 -6.798 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -27.148 -0.817 -8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -28.577 0.084 -6.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -28.716 -1.608 -6.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -27.813 -0.806 -5.186 1.00 0.00 H new ATOM 500 N ASP A 48 -22.062 -4.811 -4.380 1.00 0.00 N ATOM 501 CA ASP A 48 -20.957 -5.812 -4.326 1.00 0.00 C ATOM 502 C ASP A 48 -19.659 -5.083 -4.610 1.00 0.00 C ATOM 503 O ASP A 48 -18.583 -5.659 -4.773 1.00 0.00 O ATOM 504 CB ASP A 48 -21.157 -7.001 -5.317 1.00 0.00 C ATOM 505 CG ASP A 48 -20.925 -6.685 -6.786 1.00 0.00 C ATOM 506 OD1 ASP A 48 -21.862 -6.256 -7.483 1.00 0.00 O ATOM 507 OD2 ASP A 48 -19.806 -6.940 -7.288 1.00 0.00 O ATOM 0 H ASP A 48 -21.836 -3.976 -4.921 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.943 -6.263 -3.334 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -20.483 -7.808 -5.028 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -22.173 -7.378 -5.202 1.00 0.00 H new ATOM 512 N GLU A 49 -19.793 -3.790 -4.563 1.00 0.00 N ATOM 513 CA GLU A 49 -18.763 -2.815 -4.849 1.00 0.00 C ATOM 514 C GLU A 49 -17.764 -2.808 -3.743 1.00 0.00 C ATOM 515 O GLU A 49 -16.590 -2.606 -3.978 1.00 0.00 O ATOM 516 CB GLU A 49 -19.424 -1.465 -5.020 1.00 0.00 C ATOM 517 CG GLU A 49 -20.525 -1.481 -6.068 1.00 0.00 C ATOM 518 CD GLU A 49 -21.480 -0.332 -5.927 1.00 0.00 C ATOM 519 OE1 GLU A 49 -22.387 -0.438 -5.096 1.00 0.00 O ATOM 520 OE2 GLU A 49 -21.345 0.680 -6.649 1.00 0.00 O ATOM 0 H GLU A 49 -20.679 -3.353 -4.308 1.00 0.00 H new ATOM 0 HA GLU A 49 -18.231 -3.063 -5.768 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -19.841 -1.145 -4.065 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -18.671 -0.729 -5.301 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -20.076 -1.454 -7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -21.077 -2.418 -5.994 1.00 0.00 H new ATOM 527 N LYS A 50 -18.245 -3.021 -2.537 1.00 0.00 N ATOM 528 CA LYS A 50 -17.399 -3.067 -1.353 1.00 0.00 C ATOM 529 C LYS A 50 -16.368 -4.166 -1.559 1.00 0.00 C ATOM 530 O LYS A 50 -15.170 -3.960 -1.401 1.00 0.00 O ATOM 531 CB LYS A 50 -18.258 -3.418 -0.150 1.00 0.00 C ATOM 532 CG LYS A 50 -17.932 -2.711 1.134 1.00 0.00 C ATOM 533 CD LYS A 50 -18.458 -1.301 1.078 1.00 0.00 C ATOM 534 CE LYS A 50 -18.521 -0.654 2.455 1.00 0.00 C ATOM 535 NZ LYS A 50 -19.239 0.640 2.414 1.00 0.00 N ATOM 0 H LYS A 50 -19.236 -3.168 -2.344 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.911 -2.106 -1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -19.298 -3.209 -0.400 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.182 -4.492 0.022 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.374 -3.242 1.977 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.854 -2.702 1.293 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -17.821 -0.703 0.427 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -19.454 -1.304 0.634 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -19.021 -1.327 3.152 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -17.510 -0.499 2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -19.338 1.013 3.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -18.702 1.317 1.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -20.182 0.501 1.998 1.00 0.00 H new ATOM 549 N ALA A 51 -16.871 -5.308 -1.967 1.00 0.00 N ATOM 550 CA ALA A 51 -16.059 -6.476 -2.270 1.00 0.00 C ATOM 551 C ALA A 51 -15.068 -6.175 -3.396 1.00 0.00 C ATOM 552 O ALA A 51 -13.886 -6.525 -3.303 1.00 0.00 O ATOM 553 CB ALA A 51 -16.948 -7.650 -2.639 1.00 0.00 C ATOM 0 H ALA A 51 -17.871 -5.460 -2.102 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.486 -6.737 -1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -16.329 -8.519 -2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -17.609 -7.882 -1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -17.545 -7.393 -3.514 1.00 0.00 H new ATOM 559 N ARG A 52 -15.553 -5.498 -4.438 1.00 0.00 N ATOM 560 CA ARG A 52 -14.718 -5.103 -5.587 1.00 0.00 C ATOM 561 C ARG A 52 -13.619 -4.175 -5.154 1.00 0.00 C ATOM 562 O ARG A 52 -12.462 -4.339 -5.549 1.00 0.00 O ATOM 563 CB ARG A 52 -15.526 -4.397 -6.661 1.00 0.00 C ATOM 564 CG ARG A 52 -16.617 -5.219 -7.255 1.00 0.00 C ATOM 565 CD ARG A 52 -17.343 -4.439 -8.328 1.00 0.00 C ATOM 566 NE ARG A 52 -18.551 -5.118 -8.766 1.00 0.00 N ATOM 567 CZ ARG A 52 -19.229 -4.851 -9.875 1.00 0.00 C ATOM 568 NH1 ARG A 52 -18.771 -3.963 -10.755 1.00 0.00 N ATOM 569 NH2 ARG A 52 -20.380 -5.471 -10.085 1.00 0.00 N ATOM 0 H ARG A 52 -16.528 -5.207 -4.515 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.303 -6.025 -5.994 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -15.961 -3.493 -6.235 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.851 -4.082 -7.457 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -16.202 -6.133 -7.679 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -17.319 -5.519 -6.477 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.600 -3.450 -7.948 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.680 -4.290 -9.181 1.00 0.00 H new ATOM 0 HE ARG A 52 -18.909 -5.864 -8.169 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -17.890 -3.480 -10.580 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -19.301 -3.766 -11.604 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -20.731 -6.141 -9.400 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -20.916 -5.279 -10.932 1.00 0.00 H new ATOM 583 N LEU A 53 -13.970 -3.200 -4.341 1.00 0.00 N ATOM 584 CA LEU A 53 -13.017 -2.264 -3.854 1.00 0.00 C ATOM 585 C LEU A 53 -11.963 -2.959 -2.965 1.00 0.00 C ATOM 586 O LEU A 53 -10.777 -2.627 -2.991 1.00 0.00 O ATOM 587 CB LEU A 53 -13.729 -1.170 -3.109 1.00 0.00 C ATOM 588 CG LEU A 53 -12.818 -0.216 -2.426 1.00 0.00 C ATOM 589 CD1 LEU A 53 -11.982 0.565 -3.437 1.00 0.00 C ATOM 590 CD2 LEU A 53 -13.553 0.690 -1.476 1.00 0.00 C ATOM 0 H LEU A 53 -14.922 -3.047 -4.009 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.484 -1.824 -4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.359 -0.619 -3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.391 -1.619 -2.368 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.130 -0.802 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.324 1.256 -2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.382 -0.129 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.642 1.126 -4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.846 1.369 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -14.297 1.267 -2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.050 0.091 -0.713 1.00 0.00 H new ATOM 602 N LEU A 54 -12.393 -3.934 -2.211 1.00 0.00 N ATOM 603 CA LEU A 54 -11.477 -4.714 -1.407 1.00 0.00 C ATOM 604 C LEU A 54 -10.528 -5.507 -2.294 1.00 0.00 C ATOM 605 O LEU A 54 -9.364 -5.714 -1.957 1.00 0.00 O ATOM 606 CB LEU A 54 -12.209 -5.584 -0.391 1.00 0.00 C ATOM 607 CG LEU A 54 -13.047 -4.804 0.625 1.00 0.00 C ATOM 608 CD1 LEU A 54 -13.672 -5.725 1.654 1.00 0.00 C ATOM 609 CD2 LEU A 54 -12.218 -3.711 1.287 1.00 0.00 C ATOM 0 H LEU A 54 -13.371 -4.211 -2.133 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.868 -4.027 -0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.860 -6.275 -0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.477 -6.187 0.147 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.863 -4.324 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.260 -5.137 2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.320 -6.444 1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.887 -6.257 2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.835 -3.171 2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.370 -4.160 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.855 -3.019 0.527 1.00 0.00 H new ATOM 621 N ARG A 55 -11.023 -5.918 -3.443 1.00 0.00 N ATOM 622 CA ARG A 55 -10.202 -6.633 -4.424 1.00 0.00 C ATOM 623 C ARG A 55 -9.148 -5.681 -4.974 1.00 0.00 C ATOM 624 O ARG A 55 -8.011 -6.068 -5.213 1.00 0.00 O ATOM 625 CB ARG A 55 -11.031 -7.183 -5.584 1.00 0.00 C ATOM 626 CG ARG A 55 -12.070 -8.215 -5.215 1.00 0.00 C ATOM 627 CD ARG A 55 -12.797 -8.693 -6.451 1.00 0.00 C ATOM 628 NE ARG A 55 -13.859 -9.662 -6.152 1.00 0.00 N ATOM 629 CZ ARG A 55 -14.362 -10.525 -7.051 1.00 0.00 C ATOM 630 NH1 ARG A 55 -13.848 -10.592 -8.274 1.00 0.00 N ATOM 631 NH2 ARG A 55 -15.377 -11.313 -6.726 1.00 0.00 N ATOM 0 H ARG A 55 -11.991 -5.773 -3.730 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.740 -7.480 -3.917 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.532 -6.349 -6.076 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.352 -7.623 -6.315 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.593 -9.059 -4.716 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.782 -7.788 -4.509 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.230 -7.835 -6.966 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.080 -9.147 -7.135 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.238 -9.681 -5.205 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.069 -9.987 -8.534 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.233 -11.248 -8.954 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.780 -11.266 -5.790 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.755 -11.966 -7.412 1.00 0.00 H new ATOM 645 N GLU A 56 -9.536 -4.422 -5.110 1.00 0.00 N ATOM 646 CA GLU A 56 -8.659 -3.367 -5.586 1.00 0.00 C ATOM 647 C GLU A 56 -7.463 -3.193 -4.616 1.00 0.00 C ATOM 648 O GLU A 56 -6.308 -3.099 -5.047 1.00 0.00 O ATOM 649 CB GLU A 56 -9.466 -2.070 -5.690 1.00 0.00 C ATOM 650 CG GLU A 56 -8.738 -0.910 -6.312 1.00 0.00 C ATOM 651 CD GLU A 56 -8.409 -1.153 -7.757 1.00 0.00 C ATOM 652 OE1 GLU A 56 -9.289 -0.944 -8.619 1.00 0.00 O ATOM 653 OE2 GLU A 56 -7.282 -1.550 -8.065 1.00 0.00 O ATOM 0 H GLU A 56 -10.479 -4.102 -4.890 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.261 -3.625 -6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.366 -2.267 -6.272 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.789 -1.781 -4.690 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.350 -0.012 -6.227 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.818 -0.722 -5.759 1.00 0.00 H new ATOM 660 N LEU A 57 -7.731 -3.226 -3.304 1.00 0.00 N ATOM 661 CA LEU A 57 -6.651 -3.121 -2.321 1.00 0.00 C ATOM 662 C LEU A 57 -5.797 -4.373 -2.354 1.00 0.00 C ATOM 663 O LEU A 57 -4.609 -4.341 -2.067 1.00 0.00 O ATOM 664 CB LEU A 57 -7.134 -2.747 -0.884 1.00 0.00 C ATOM 665 CG LEU A 57 -7.994 -3.738 -0.078 1.00 0.00 C ATOM 666 CD1 LEU A 57 -7.165 -4.869 0.528 1.00 0.00 C ATOM 667 CD2 LEU A 57 -8.741 -3.002 1.000 1.00 0.00 C ATOM 0 H LEU A 57 -8.666 -3.322 -2.907 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.029 -2.275 -2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.246 -2.531 -0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.699 -1.818 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.701 -4.197 -0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.818 -5.540 1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.670 -5.424 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.415 -4.451 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.348 -3.707 1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.030 -2.515 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.387 -2.250 0.547 1.00 0.00 H new ATOM 679 N THR A 58 -6.427 -5.473 -2.700 1.00 0.00 N ATOM 680 CA THR A 58 -5.749 -6.736 -2.833 1.00 0.00 C ATOM 681 C THR A 58 -4.695 -6.634 -3.975 1.00 0.00 C ATOM 682 O THR A 58 -3.541 -7.090 -3.847 1.00 0.00 O ATOM 683 CB THR A 58 -6.780 -7.858 -3.103 1.00 0.00 C ATOM 684 OG1 THR A 58 -7.782 -7.837 -2.066 1.00 0.00 O ATOM 685 CG2 THR A 58 -6.127 -9.226 -3.131 1.00 0.00 C ATOM 0 H THR A 58 -7.427 -5.514 -2.897 1.00 0.00 H new ATOM 0 HA THR A 58 -5.227 -6.983 -1.909 1.00 0.00 H new ATOM 0 HB THR A 58 -7.229 -7.676 -4.080 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.379 -7.072 -2.204 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.884 -9.987 -3.323 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.376 -9.254 -3.920 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.652 -9.422 -2.170 1.00 0.00 H new ATOM 693 N VAL A 59 -5.090 -5.977 -5.058 1.00 0.00 N ATOM 694 CA VAL A 59 -4.185 -5.695 -6.165 1.00 0.00 C ATOM 695 C VAL A 59 -3.103 -4.730 -5.664 1.00 0.00 C ATOM 696 O VAL A 59 -1.918 -4.858 -6.001 1.00 0.00 O ATOM 697 CB VAL A 59 -4.932 -5.069 -7.387 1.00 0.00 C ATOM 698 CG1 VAL A 59 -3.977 -4.824 -8.552 1.00 0.00 C ATOM 699 CG2 VAL A 59 -6.080 -5.960 -7.838 1.00 0.00 C ATOM 0 H VAL A 59 -6.038 -5.627 -5.194 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.744 -6.632 -6.506 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.338 -4.110 -7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.526 -4.388 -9.387 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.189 -4.139 -8.239 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.533 -5.769 -8.864 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.583 -5.502 -8.689 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.691 -6.936 -8.129 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.789 -6.082 -7.019 1.00 0.00 H new ATOM 709 N SER A 60 -3.525 -3.795 -4.829 1.00 0.00 N ATOM 710 CA SER A 60 -2.640 -2.813 -4.248 1.00 0.00 C ATOM 711 C SER A 60 -1.520 -3.460 -3.430 1.00 0.00 C ATOM 712 O SER A 60 -0.352 -3.068 -3.547 1.00 0.00 O ATOM 713 CB SER A 60 -3.416 -1.765 -3.442 1.00 0.00 C ATOM 714 OG SER A 60 -4.447 -1.167 -4.230 1.00 0.00 O ATOM 0 H SER A 60 -4.498 -3.700 -4.537 1.00 0.00 H new ATOM 0 HA SER A 60 -2.155 -2.288 -5.071 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.854 -2.232 -2.560 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.731 -0.994 -3.088 1.00 0.00 H new ATOM 0 HG SER A 60 -5.095 -1.852 -4.495 1.00 0.00 H new ATOM 720 N GLU A 61 -1.849 -4.461 -2.638 1.00 0.00 N ATOM 721 CA GLU A 61 -0.803 -5.139 -1.894 1.00 0.00 C ATOM 722 C GLU A 61 0.087 -5.937 -2.835 1.00 0.00 C ATOM 723 O GLU A 61 1.264 -6.082 -2.588 1.00 0.00 O ATOM 724 CB GLU A 61 -1.255 -5.988 -0.669 1.00 0.00 C ATOM 725 CG GLU A 61 -1.878 -7.344 -0.959 1.00 0.00 C ATOM 726 CD GLU A 61 -1.299 -8.427 -0.040 1.00 0.00 C ATOM 727 OE1 GLU A 61 -1.741 -8.572 1.120 1.00 0.00 O ATOM 728 OE2 GLU A 61 -0.376 -9.146 -0.465 1.00 0.00 O ATOM 0 H GLU A 61 -2.795 -4.814 -2.494 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.233 -4.332 -1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.388 -6.144 -0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.973 -5.401 -0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.958 -7.288 -0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.701 -7.614 -2.000 1.00 0.00 H new ATOM 735 N ALA A 62 -0.480 -6.415 -3.946 1.00 0.00 N ATOM 736 CA ALA A 62 0.304 -7.191 -4.911 1.00 0.00 C ATOM 737 C ALA A 62 1.480 -6.378 -5.462 1.00 0.00 C ATOM 738 O ALA A 62 2.633 -6.849 -5.482 1.00 0.00 O ATOM 739 CB ALA A 62 -0.570 -7.737 -6.033 1.00 0.00 C ATOM 0 H ALA A 62 -1.460 -6.282 -4.197 1.00 0.00 H new ATOM 0 HA ALA A 62 0.720 -8.046 -4.378 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.045 -8.307 -6.729 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.338 -8.386 -5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.043 -6.909 -6.561 1.00 0.00 H new ATOM 745 N PHE A 63 1.236 -5.137 -5.845 1.00 0.00 N ATOM 746 CA PHE A 63 2.351 -4.330 -6.323 1.00 0.00 C ATOM 747 C PHE A 63 3.247 -3.864 -5.193 1.00 0.00 C ATOM 748 O PHE A 63 4.455 -3.692 -5.380 1.00 0.00 O ATOM 749 CB PHE A 63 2.002 -3.237 -7.359 1.00 0.00 C ATOM 750 CG PHE A 63 0.808 -2.426 -7.046 1.00 0.00 C ATOM 751 CD1 PHE A 63 0.853 -1.431 -6.098 1.00 0.00 C ATOM 752 CD2 PHE A 63 -0.376 -2.671 -7.707 1.00 0.00 C ATOM 753 CE1 PHE A 63 -0.271 -0.707 -5.805 1.00 0.00 C ATOM 754 CE2 PHE A 63 -1.494 -1.944 -7.427 1.00 0.00 C ATOM 755 CZ PHE A 63 -1.441 -0.968 -6.473 1.00 0.00 C ATOM 0 H PHE A 63 0.324 -4.681 -5.838 1.00 0.00 H new ATOM 0 HA PHE A 63 2.947 -5.017 -6.924 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.858 -2.569 -7.460 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.853 -3.713 -8.328 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.778 -1.220 -5.583 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.418 -3.448 -8.456 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.237 0.066 -5.052 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.415 -2.138 -7.956 1.00 0.00 H new ATOM 0 HZ PHE A 63 -2.328 -0.396 -6.242 1.00 0.00 H new ATOM 765 N ILE A 64 2.668 -3.665 -4.005 1.00 0.00 N ATOM 766 CA ILE A 64 3.468 -3.293 -2.854 1.00 0.00 C ATOM 767 C ILE A 64 4.454 -4.442 -2.527 1.00 0.00 C ATOM 768 O ILE A 64 5.582 -4.186 -2.159 1.00 0.00 O ATOM 769 CB ILE A 64 2.597 -2.834 -1.603 1.00 0.00 C ATOM 770 CG1 ILE A 64 3.276 -1.682 -0.826 1.00 0.00 C ATOM 771 CG2 ILE A 64 2.299 -3.980 -0.633 1.00 0.00 C ATOM 772 CD1 ILE A 64 4.538 -2.048 -0.049 1.00 0.00 C ATOM 0 H ILE A 64 1.668 -3.755 -3.825 1.00 0.00 H new ATOM 0 HA ILE A 64 4.046 -2.405 -3.108 1.00 0.00 H new ATOM 0 HB ILE A 64 1.653 -2.485 -2.021 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.526 -0.892 -1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.551 -1.266 -0.126 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.702 -3.606 0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.746 -4.763 -1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.236 -4.388 -0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.925 -1.162 0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.301 -2.812 0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.291 -2.432 -0.738 1.00 0.00 H new ATOM 784 N GLU A 65 4.028 -5.708 -2.731 1.00 0.00 N ATOM 785 CA GLU A 65 4.924 -6.874 -2.561 1.00 0.00 C ATOM 786 C GLU A 65 6.086 -6.756 -3.515 1.00 0.00 C ATOM 787 O GLU A 65 7.239 -6.972 -3.134 1.00 0.00 O ATOM 788 CB GLU A 65 4.239 -8.189 -2.891 1.00 0.00 C ATOM 789 CG GLU A 65 3.037 -8.537 -2.074 1.00 0.00 C ATOM 790 CD GLU A 65 2.492 -9.872 -2.482 1.00 0.00 C ATOM 791 OE1 GLU A 65 1.924 -9.988 -3.576 1.00 0.00 O ATOM 792 OE2 GLU A 65 2.654 -10.855 -1.725 1.00 0.00 O ATOM 0 H GLU A 65 3.077 -5.948 -3.011 1.00 0.00 H new ATOM 0 HA GLU A 65 5.234 -6.874 -1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.944 -8.166 -3.940 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.969 -8.991 -2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.301 -8.554 -1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.271 -7.772 -2.199 1.00 0.00 H new ATOM 799 N GLY A 66 5.764 -6.406 -4.758 1.00 0.00 N ATOM 800 CA GLY A 66 6.775 -6.229 -5.788 1.00 0.00 C ATOM 801 C GLY A 66 7.779 -5.156 -5.421 1.00 0.00 C ATOM 802 O GLY A 66 9.003 -5.386 -5.457 1.00 0.00 O ATOM 0 H GLY A 66 4.808 -6.240 -5.073 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.296 -7.173 -5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.292 -5.966 -6.729 1.00 0.00 H new ATOM 806 N SER A 67 7.272 -4.011 -5.000 1.00 0.00 N ATOM 807 CA SER A 67 8.107 -2.903 -4.618 1.00 0.00 C ATOM 808 C SER A 67 8.902 -3.267 -3.376 1.00 0.00 C ATOM 809 O SER A 67 10.081 -2.957 -3.267 1.00 0.00 O ATOM 810 CB SER A 67 7.248 -1.662 -4.355 1.00 0.00 C ATOM 811 OG SER A 67 6.487 -1.307 -5.508 1.00 0.00 O ATOM 0 H SER A 67 6.272 -3.830 -4.916 1.00 0.00 H new ATOM 0 HA SER A 67 8.799 -2.679 -5.430 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.577 -1.852 -3.518 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.888 -0.828 -4.068 1.00 0.00 H new ATOM 0 HG SER A 67 5.762 -1.954 -5.633 1.00 0.00 H new ATOM 817 N ARG A 68 8.265 -3.993 -2.479 1.00 0.00 N ATOM 818 CA ARG A 68 8.873 -4.360 -1.229 1.00 0.00 C ATOM 819 C ARG A 68 10.002 -5.326 -1.437 1.00 0.00 C ATOM 820 O ARG A 68 11.091 -5.142 -0.886 1.00 0.00 O ATOM 821 CB ARG A 68 7.844 -4.867 -0.216 1.00 0.00 C ATOM 822 CG ARG A 68 8.396 -5.167 1.156 1.00 0.00 C ATOM 823 CD ARG A 68 7.305 -5.618 2.104 1.00 0.00 C ATOM 824 NE ARG A 68 7.808 -5.754 3.470 1.00 0.00 N ATOM 825 CZ ARG A 68 7.054 -5.841 4.568 1.00 0.00 C ATOM 826 NH1 ARG A 68 5.727 -5.946 4.491 1.00 0.00 N ATOM 827 NH2 ARG A 68 7.630 -5.846 5.752 1.00 0.00 N ATOM 0 H ARG A 68 7.314 -4.341 -2.602 1.00 0.00 H new ATOM 0 HA ARG A 68 9.303 -3.457 -0.795 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.054 -4.122 -0.119 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.382 -5.772 -0.611 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.159 -5.942 1.081 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.883 -4.278 1.556 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.486 -4.899 2.086 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.900 -6.572 1.767 1.00 0.00 H new ATOM 0 HE ARG A 68 8.820 -5.785 3.594 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.269 -5.961 3.580 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.170 -6.011 5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.645 -5.784 5.825 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.061 -5.912 6.596 1.00 0.00 H new ATOM 841 N GLY A 69 9.765 -6.312 -2.264 1.00 0.00 N ATOM 842 CA GLY A 69 10.795 -7.245 -2.602 1.00 0.00 C ATOM 843 C GLY A 69 11.912 -6.548 -3.332 1.00 0.00 C ATOM 844 O GLY A 69 13.072 -6.932 -3.215 1.00 0.00 O ATOM 0 H GLY A 69 8.866 -6.485 -2.713 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.180 -7.715 -1.697 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.385 -8.040 -3.225 1.00 0.00 H new ATOM 848 N TYR A 70 11.565 -5.453 -4.012 1.00 0.00 N ATOM 849 CA TYR A 70 12.530 -4.724 -4.799 1.00 0.00 C ATOM 850 C TYR A 70 13.489 -4.016 -3.876 1.00 0.00 C ATOM 851 O TYR A 70 14.681 -4.058 -4.081 1.00 0.00 O ATOM 852 CB TYR A 70 11.866 -3.737 -5.768 1.00 0.00 C ATOM 853 CG TYR A 70 12.827 -3.170 -6.789 1.00 0.00 C ATOM 854 CD1 TYR A 70 13.177 -3.917 -7.902 1.00 0.00 C ATOM 855 CD2 TYR A 70 13.399 -1.908 -6.639 1.00 0.00 C ATOM 856 CE1 TYR A 70 14.061 -3.438 -8.835 1.00 0.00 C ATOM 857 CE2 TYR A 70 14.294 -1.419 -7.576 1.00 0.00 C ATOM 858 CZ TYR A 70 14.619 -2.191 -8.671 1.00 0.00 C ATOM 859 OH TYR A 70 15.519 -1.716 -9.611 1.00 0.00 O ATOM 0 H TYR A 70 10.623 -5.062 -4.026 1.00 0.00 H new ATOM 0 HA TYR A 70 13.076 -5.437 -5.416 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.050 -4.240 -6.286 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.426 -2.918 -5.198 1.00 0.00 H new ATOM 0 HD1 TYR A 70 12.745 -4.897 -8.038 1.00 0.00 H new ATOM 0 HD2 TYR A 70 13.141 -1.304 -5.782 1.00 0.00 H new ATOM 0 HE1 TYR A 70 14.318 -4.038 -9.696 1.00 0.00 H new ATOM 0 HE2 TYR A 70 14.734 -0.441 -7.450 1.00 0.00 H new ATOM 0 HH TYR A 70 15.821 -0.821 -9.351 1.00 0.00 H new ATOM 869 N PHE A 71 12.951 -3.401 -2.831 1.00 0.00 N ATOM 870 CA PHE A 71 13.764 -2.698 -1.843 1.00 0.00 C ATOM 871 C PHE A 71 14.727 -3.650 -1.141 1.00 0.00 C ATOM 872 O PHE A 71 15.891 -3.315 -0.886 1.00 0.00 O ATOM 873 CB PHE A 71 12.906 -1.943 -0.825 1.00 0.00 C ATOM 874 CG PHE A 71 12.100 -0.826 -1.409 1.00 0.00 C ATOM 875 CD1 PHE A 71 12.717 0.218 -2.068 1.00 0.00 C ATOM 876 CD2 PHE A 71 10.731 -0.814 -1.290 1.00 0.00 C ATOM 877 CE1 PHE A 71 11.977 1.249 -2.602 1.00 0.00 C ATOM 878 CE2 PHE A 71 9.989 0.211 -1.822 1.00 0.00 C ATOM 879 CZ PHE A 71 10.608 1.241 -2.478 1.00 0.00 C ATOM 0 H PHE A 71 11.949 -3.374 -2.644 1.00 0.00 H new ATOM 0 HA PHE A 71 14.352 -1.958 -2.385 1.00 0.00 H new ATOM 0 HB2 PHE A 71 12.231 -2.649 -0.342 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.555 -1.540 -0.048 1.00 0.00 H new ATOM 0 HD1 PHE A 71 13.793 0.226 -2.166 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.233 -1.620 -0.772 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.470 2.061 -3.116 1.00 0.00 H new ATOM 0 HE2 PHE A 71 8.914 0.205 -1.723 1.00 0.00 H new ATOM 0 HZ PHE A 71 10.022 2.046 -2.897 1.00 0.00 H new ATOM 889 N GLN A 72 14.232 -4.841 -0.842 1.00 0.00 N ATOM 890 CA GLN A 72 15.040 -5.882 -0.218 1.00 0.00 C ATOM 891 C GLN A 72 16.194 -6.263 -1.153 1.00 0.00 C ATOM 892 O GLN A 72 17.325 -6.432 -0.726 1.00 0.00 O ATOM 893 CB GLN A 72 14.165 -7.097 0.089 1.00 0.00 C ATOM 894 CG GLN A 72 12.980 -6.771 0.988 1.00 0.00 C ATOM 895 CD GLN A 72 12.010 -7.921 1.141 1.00 0.00 C ATOM 896 OE1 GLN A 72 11.871 -8.761 0.247 1.00 0.00 O ATOM 897 NE2 GLN A 72 11.303 -7.953 2.244 1.00 0.00 N ATOM 0 H GLN A 72 13.266 -5.114 -1.023 1.00 0.00 H new ATOM 0 HA GLN A 72 15.459 -5.513 0.718 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.798 -7.518 -0.847 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.775 -7.864 0.566 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.348 -6.482 1.972 1.00 0.00 H new ATOM 0 HG3 GLN A 72 12.450 -5.910 0.581 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.445 -7.242 2.961 1.00 0.00 H new ATOM 0 HE22 GLN A 72 10.611 -8.689 2.385 1.00 0.00 H new ATOM 906 N ARG A 73 15.891 -6.366 -2.437 1.00 0.00 N ATOM 907 CA ARG A 73 16.900 -6.646 -3.452 1.00 0.00 C ATOM 908 C ARG A 73 17.839 -5.472 -3.657 1.00 0.00 C ATOM 909 O ARG A 73 19.013 -5.655 -3.956 1.00 0.00 O ATOM 910 CB ARG A 73 16.268 -7.107 -4.759 1.00 0.00 C ATOM 911 CG ARG A 73 16.022 -8.609 -4.821 1.00 0.00 C ATOM 912 CD ARG A 73 15.210 -9.141 -3.642 1.00 0.00 C ATOM 913 NE ARG A 73 15.095 -10.603 -3.665 1.00 0.00 N ATOM 914 CZ ARG A 73 14.376 -11.347 -2.807 1.00 0.00 C ATOM 915 NH1 ARG A 73 13.588 -10.767 -1.892 1.00 0.00 N ATOM 916 NH2 ARG A 73 14.428 -12.672 -2.885 1.00 0.00 N ATOM 0 H ARG A 73 14.946 -6.259 -2.806 1.00 0.00 H new ATOM 0 HA ARG A 73 17.508 -7.472 -3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 73 15.321 -6.586 -4.898 1.00 0.00 H new ATOM 0 HB3 ARG A 73 16.915 -6.819 -5.587 1.00 0.00 H new ATOM 0 HG2 ARG A 73 15.500 -8.846 -5.748 1.00 0.00 H new ATOM 0 HG3 ARG A 73 16.981 -9.126 -4.854 1.00 0.00 H new ATOM 0 HD2 ARG A 73 15.680 -8.830 -2.709 1.00 0.00 H new ATOM 0 HD3 ARG A 73 14.214 -8.699 -3.660 1.00 0.00 H new ATOM 0 HE ARG A 73 15.605 -11.099 -4.396 1.00 0.00 H new ATOM 0 HH11 ARG A 73 13.529 -9.750 -1.841 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.047 -11.342 -1.246 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.011 -13.119 -3.593 1.00 0.00 H new ATOM 0 HH22 ARG A 73 13.885 -13.243 -2.237 1.00 0.00 H new ATOM 930 N GLU A 74 17.318 -4.285 -3.498 1.00 0.00 N ATOM 931 CA GLU A 74 18.110 -3.049 -3.523 1.00 0.00 C ATOM 932 C GLU A 74 19.172 -3.049 -2.431 1.00 0.00 C ATOM 933 O GLU A 74 20.233 -2.465 -2.590 1.00 0.00 O ATOM 934 CB GLU A 74 17.222 -1.822 -3.395 1.00 0.00 C ATOM 935 CG GLU A 74 16.471 -1.446 -4.652 1.00 0.00 C ATOM 936 CD GLU A 74 17.386 -0.897 -5.721 1.00 0.00 C ATOM 937 OE1 GLU A 74 17.610 0.332 -5.747 1.00 0.00 O ATOM 938 OE2 GLU A 74 17.884 -1.671 -6.550 1.00 0.00 O ATOM 0 H GLU A 74 16.322 -4.130 -3.345 1.00 0.00 H new ATOM 0 HA GLU A 74 18.613 -3.008 -4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 74 16.501 -1.995 -2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 74 17.838 -0.976 -3.090 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.950 -2.322 -5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.711 -0.703 -4.410 1.00 0.00 H new ATOM 945 N LEU A 75 18.890 -3.715 -1.324 1.00 0.00 N ATOM 946 CA LEU A 75 19.882 -3.887 -0.254 1.00 0.00 C ATOM 947 C LEU A 75 21.082 -4.731 -0.737 1.00 0.00 C ATOM 948 O LEU A 75 22.138 -4.722 -0.133 1.00 0.00 O ATOM 949 CB LEU A 75 19.243 -4.531 0.984 1.00 0.00 C ATOM 950 CG LEU A 75 18.194 -3.688 1.718 1.00 0.00 C ATOM 951 CD1 LEU A 75 17.483 -4.532 2.759 1.00 0.00 C ATOM 952 CD2 LEU A 75 18.856 -2.496 2.397 1.00 0.00 C ATOM 0 H LEU A 75 17.986 -4.148 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 75 20.249 -2.898 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 75 18.778 -5.469 0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 75 20.036 -4.781 1.689 1.00 0.00 H new ATOM 0 HG LEU A 75 17.468 -3.327 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.740 -3.924 3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 75 16.989 -5.372 2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 75 18.209 -4.907 3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 75 18.100 -1.906 2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 75 19.594 -2.851 3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 75 19.348 -1.877 1.647 1.00 0.00 H new ATOM 964 N LYS A 76 20.897 -5.430 -1.842 1.00 0.00 N ATOM 965 CA LYS A 76 21.916 -6.276 -2.443 1.00 0.00 C ATOM 966 C LYS A 76 22.588 -5.575 -3.628 1.00 0.00 C ATOM 967 O LYS A 76 23.532 -6.113 -4.223 1.00 0.00 O ATOM 968 CB LYS A 76 21.309 -7.591 -2.918 1.00 0.00 C ATOM 969 CG LYS A 76 20.675 -8.421 -1.823 1.00 0.00 C ATOM 970 CD LYS A 76 20.049 -9.713 -2.356 1.00 0.00 C ATOM 971 CE LYS A 76 21.075 -10.821 -2.718 1.00 0.00 C ATOM 972 NZ LYS A 76 21.957 -10.498 -3.874 1.00 0.00 N ATOM 0 H LYS A 76 20.017 -5.426 -2.358 1.00 0.00 H new ATOM 0 HA LYS A 76 22.667 -6.477 -1.679 1.00 0.00 H new ATOM 0 HB2 LYS A 76 20.556 -7.376 -3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 76 22.087 -8.182 -3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 76 21.429 -8.668 -1.075 1.00 0.00 H new ATOM 0 HG3 LYS A 76 19.909 -7.830 -1.321 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.359 -10.104 -1.608 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.459 -9.478 -3.242 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.699 -11.018 -1.846 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.533 -11.741 -2.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.223 -11.376 -4.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.450 -9.874 -4.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 22.815 -10.019 -3.533 1.00 0.00 H new ATOM 986 N ARG A 77 22.074 -4.387 -3.975 1.00 0.00 N ATOM 987 CA ARG A 77 22.470 -3.602 -5.171 1.00 0.00 C ATOM 988 C ARG A 77 23.976 -3.363 -5.265 1.00 0.00 C ATOM 989 O ARG A 77 24.494 -3.049 -6.346 1.00 0.00 O ATOM 990 CB ARG A 77 21.754 -2.245 -5.148 1.00 0.00 C ATOM 991 CG ARG A 77 21.879 -1.430 -6.416 1.00 0.00 C ATOM 992 CD ARG A 77 21.044 -0.174 -6.332 1.00 0.00 C ATOM 993 NE ARG A 77 21.226 0.672 -7.505 1.00 0.00 N ATOM 994 CZ ARG A 77 20.429 1.674 -7.856 1.00 0.00 C ATOM 995 NH1 ARG A 77 19.222 1.792 -7.311 1.00 0.00 N ATOM 996 NH2 ARG A 77 20.796 2.494 -8.825 1.00 0.00 N ATOM 0 H ARG A 77 21.351 -3.926 -3.422 1.00 0.00 H new ATOM 0 HA ARG A 77 22.180 -4.190 -6.042 1.00 0.00 H new ATOM 0 HB2 ARG A 77 20.696 -2.414 -4.946 1.00 0.00 H new ATOM 0 HB3 ARG A 77 22.147 -1.659 -4.318 1.00 0.00 H new ATOM 0 HG2 ARG A 77 22.924 -1.167 -6.583 1.00 0.00 H new ATOM 0 HG3 ARG A 77 21.560 -2.027 -7.270 1.00 0.00 H new ATOM 0 HD2 ARG A 77 19.992 -0.442 -6.236 1.00 0.00 H new ATOM 0 HD3 ARG A 77 21.314 0.384 -5.435 1.00 0.00 H new ATOM 0 HE ARG A 77 22.029 0.479 -8.103 1.00 0.00 H new ATOM 0 HH11 ARG A 77 18.905 1.111 -6.621 1.00 0.00 H new ATOM 0 HH12 ARG A 77 18.613 2.563 -7.583 1.00 0.00 H new ATOM 0 HH21 ARG A 77 21.688 2.356 -9.300 1.00 0.00 H new ATOM 0 HH22 ARG A 77 20.187 3.265 -9.098 1.00 0.00 H new ATOM 1010 N THR A 78 24.670 -3.479 -4.130 1.00 0.00 N ATOM 1011 CA THR A 78 26.104 -3.245 -4.015 1.00 0.00 C ATOM 1012 C THR A 78 26.414 -1.735 -4.026 1.00 0.00 C ATOM 1013 O THR A 78 27.199 -1.248 -3.208 1.00 0.00 O ATOM 1014 CB THR A 78 26.899 -4.019 -5.097 1.00 0.00 C ATOM 1015 OG1 THR A 78 26.449 -5.395 -5.089 1.00 0.00 O ATOM 1016 CG2 THR A 78 28.389 -3.986 -4.804 1.00 0.00 C ATOM 0 H THR A 78 24.236 -3.745 -3.246 1.00 0.00 H new ATOM 0 HA THR A 78 26.435 -3.637 -3.053 1.00 0.00 H new ATOM 0 HB THR A 78 26.729 -3.554 -6.068 1.00 0.00 H new ATOM 0 HG1 THR A 78 26.939 -5.903 -5.769 1.00 0.00 H new ATOM 0 HG21 THR A 78 28.924 -4.536 -5.578 1.00 0.00 H new ATOM 0 HG22 THR A 78 28.734 -2.952 -4.789 1.00 0.00 H new ATOM 0 HG23 THR A 78 28.579 -4.446 -3.834 1.00 0.00 H new ATOM 1024 N ASP A 79 25.758 -1.000 -4.900 1.00 0.00 N ATOM 1025 CA ASP A 79 25.899 0.435 -4.929 1.00 0.00 C ATOM 1026 C ASP A 79 24.723 1.075 -4.230 1.00 0.00 C ATOM 1027 O ASP A 79 23.650 1.257 -4.800 1.00 0.00 O ATOM 1028 CB ASP A 79 26.053 1.002 -6.336 1.00 0.00 C ATOM 1029 CG ASP A 79 26.217 2.515 -6.312 1.00 0.00 C ATOM 1030 OD1 ASP A 79 27.357 3.002 -6.182 1.00 0.00 O ATOM 1031 OD2 ASP A 79 25.213 3.243 -6.407 1.00 0.00 O ATOM 0 H ASP A 79 25.120 -1.378 -5.601 1.00 0.00 H new ATOM 0 HA ASP A 79 26.824 0.673 -4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 79 26.918 0.549 -6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 79 25.180 0.739 -6.933 1.00 0.00 H new ATOM 1036 N LEU A 80 24.910 1.267 -2.978 1.00 0.00 N ATOM 1037 CA LEU A 80 23.990 1.913 -2.085 1.00 0.00 C ATOM 1038 C LEU A 80 24.808 2.253 -0.885 1.00 0.00 C ATOM 1039 O LEU A 80 25.784 1.554 -0.567 1.00 0.00 O ATOM 1040 CB LEU A 80 22.825 0.961 -1.666 1.00 0.00 C ATOM 1041 CG LEU A 80 23.161 -0.181 -0.692 1.00 0.00 C ATOM 1042 CD1 LEU A 80 21.889 -0.787 -0.138 1.00 0.00 C ATOM 1043 CD2 LEU A 80 23.994 -1.270 -1.350 1.00 0.00 C ATOM 0 H LEU A 80 25.762 0.962 -2.507 1.00 0.00 H new ATOM 0 HA LEU A 80 23.527 2.781 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 80 22.039 1.568 -1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.408 0.520 -2.571 1.00 0.00 H new ATOM 0 HG LEU A 80 23.751 0.251 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.140 -1.594 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.322 -0.022 0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.288 -1.182 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 80 24.206 -2.055 -0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 80 23.442 -1.693 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 80 24.931 -0.844 -1.709 1.00 0.00 H new ATOM 1055 N ASP A 81 24.464 3.283 -0.260 1.00 0.00 N ATOM 1056 CA ASP A 81 25.136 3.725 0.907 1.00 0.00 C ATOM 1057 C ASP A 81 24.048 3.847 1.942 1.00 0.00 C ATOM 1058 O ASP A 81 22.954 3.307 1.728 1.00 0.00 O ATOM 1059 CB ASP A 81 25.808 5.083 0.624 1.00 0.00 C ATOM 1060 CG ASP A 81 26.868 5.483 1.635 1.00 0.00 C ATOM 1061 OD1 ASP A 81 26.527 6.001 2.726 1.00 0.00 O ATOM 1062 OD2 ASP A 81 28.062 5.311 1.347 1.00 0.00 O ATOM 0 H ASP A 81 23.683 3.877 -0.539 1.00 0.00 H new ATOM 0 HA ASP A 81 25.925 3.050 1.239 1.00 0.00 H new ATOM 0 HB2 ASP A 81 26.262 5.050 -0.366 1.00 0.00 H new ATOM 0 HB3 ASP A 81 25.040 5.856 0.597 1.00 0.00 H new ATOM 1067 N LEU A 82 24.288 4.556 3.004 1.00 0.00 N ATOM 1068 CA LEU A 82 23.319 4.720 4.060 1.00 0.00 C ATOM 1069 C LEU A 82 22.045 5.382 3.555 1.00 0.00 C ATOM 1070 O LEU A 82 20.979 5.093 4.048 1.00 0.00 O ATOM 1071 CB LEU A 82 23.906 5.508 5.232 1.00 0.00 C ATOM 1072 CG LEU A 82 25.128 4.897 5.926 1.00 0.00 C ATOM 1073 CD1 LEU A 82 25.611 5.809 7.038 1.00 0.00 C ATOM 1074 CD2 LEU A 82 24.805 3.512 6.479 1.00 0.00 C ATOM 0 H LEU A 82 25.169 5.044 3.169 1.00 0.00 H new ATOM 0 HA LEU A 82 23.059 3.723 4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 82 24.179 6.500 4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 82 23.123 5.643 5.978 1.00 0.00 H new ATOM 0 HG LEU A 82 25.922 4.791 5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 82 26.479 5.363 7.523 1.00 0.00 H new ATOM 0 HD12 LEU A 82 25.886 6.778 6.621 1.00 0.00 H new ATOM 0 HD13 LEU A 82 24.815 5.942 7.771 1.00 0.00 H new ATOM 0 HD21 LEU A 82 25.688 3.100 6.967 1.00 0.00 H new ATOM 0 HD22 LEU A 82 23.994 3.589 7.203 1.00 0.00 H new ATOM 0 HD23 LEU A 82 24.502 2.856 5.663 1.00 0.00 H new ATOM 1086 N LEU A 83 22.171 6.236 2.553 1.00 0.00 N ATOM 1087 CA LEU A 83 21.030 6.987 2.021 1.00 0.00 C ATOM 1088 C LEU A 83 20.047 6.059 1.366 1.00 0.00 C ATOM 1089 O LEU A 83 18.852 6.079 1.675 1.00 0.00 O ATOM 1090 CB LEU A 83 21.562 7.992 0.972 1.00 0.00 C ATOM 1091 CG LEU A 83 20.610 9.091 0.390 1.00 0.00 C ATOM 1092 CD1 LEU A 83 19.578 8.537 -0.592 1.00 0.00 C ATOM 1093 CD2 LEU A 83 19.917 9.854 1.511 1.00 0.00 C ATOM 0 H LEU A 83 23.055 6.432 2.084 1.00 0.00 H new ATOM 0 HA LEU A 83 20.524 7.507 2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 83 22.415 8.504 1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 83 21.941 7.412 0.130 1.00 0.00 H new ATOM 0 HG LEU A 83 21.244 9.775 -0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 83 18.951 9.350 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.090 8.068 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 83 18.956 7.798 -0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 83 19.261 10.612 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 83 19.328 9.162 2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 83 20.666 10.335 2.141 1.00 0.00 H new ATOM 1105 N GLU A 84 20.550 5.226 0.516 1.00 0.00 N ATOM 1106 CA GLU A 84 19.736 4.320 -0.200 1.00 0.00 C ATOM 1107 C GLU A 84 19.215 3.268 0.738 1.00 0.00 C ATOM 1108 O GLU A 84 18.031 2.974 0.746 1.00 0.00 O ATOM 1109 CB GLU A 84 20.491 3.701 -1.368 1.00 0.00 C ATOM 1110 CG GLU A 84 21.008 4.686 -2.408 1.00 0.00 C ATOM 1111 CD GLU A 84 22.416 5.169 -2.130 1.00 0.00 C ATOM 1112 OE1 GLU A 84 22.763 5.436 -0.956 1.00 0.00 O ATOM 1113 OE2 GLU A 84 23.216 5.246 -3.085 1.00 0.00 O ATOM 0 H GLU A 84 21.545 5.160 0.302 1.00 0.00 H new ATOM 0 HA GLU A 84 18.891 4.862 -0.624 1.00 0.00 H new ATOM 0 HB2 GLU A 84 21.337 3.138 -0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 84 19.835 2.986 -1.864 1.00 0.00 H new ATOM 0 HG2 GLU A 84 20.981 4.214 -3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 84 20.338 5.545 -2.449 1.00 0.00 H new ATOM 1120 N LYS A 85 20.102 2.780 1.582 1.00 0.00 N ATOM 1121 CA LYS A 85 19.812 1.767 2.572 1.00 0.00 C ATOM 1122 C LYS A 85 18.689 2.233 3.454 1.00 0.00 C ATOM 1123 O LYS A 85 17.726 1.502 3.692 1.00 0.00 O ATOM 1124 CB LYS A 85 21.067 1.515 3.418 1.00 0.00 C ATOM 1125 CG LYS A 85 20.906 0.514 4.547 1.00 0.00 C ATOM 1126 CD LYS A 85 22.175 0.434 5.386 1.00 0.00 C ATOM 1127 CE LYS A 85 22.037 -0.553 6.532 1.00 0.00 C ATOM 1128 NZ LYS A 85 21.024 -0.127 7.519 1.00 0.00 N ATOM 0 H LYS A 85 21.074 3.088 1.597 1.00 0.00 H new ATOM 0 HA LYS A 85 19.516 0.842 2.076 1.00 0.00 H new ATOM 0 HB2 LYS A 85 21.864 1.168 2.760 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.394 2.464 3.842 1.00 0.00 H new ATOM 0 HG2 LYS A 85 20.065 0.803 5.178 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.674 -0.469 4.137 1.00 0.00 H new ATOM 0 HD2 LYS A 85 23.011 0.139 4.752 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.410 1.421 5.784 1.00 0.00 H new ATOM 0 HE2 LYS A 85 21.766 -1.531 6.135 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.000 -0.666 7.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 21.180 -0.630 8.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.104 0.898 7.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.074 -0.349 7.159 1.00 0.00 H new ATOM 1142 N PHE A 86 18.767 3.496 3.856 1.00 0.00 N ATOM 1143 CA PHE A 86 17.808 4.038 4.774 1.00 0.00 C ATOM 1144 C PHE A 86 16.459 4.153 4.100 1.00 0.00 C ATOM 1145 O PHE A 86 15.462 3.954 4.706 1.00 0.00 O ATOM 1146 CB PHE A 86 18.272 5.385 5.358 1.00 0.00 C ATOM 1147 CG PHE A 86 17.484 5.886 6.545 1.00 0.00 C ATOM 1148 CD1 PHE A 86 16.307 6.593 6.374 1.00 0.00 C ATOM 1149 CD2 PHE A 86 17.937 5.651 7.833 1.00 0.00 C ATOM 1150 CE1 PHE A 86 15.599 7.051 7.464 1.00 0.00 C ATOM 1151 CE2 PHE A 86 17.231 6.109 8.923 1.00 0.00 C ATOM 1152 CZ PHE A 86 16.061 6.808 8.740 1.00 0.00 C ATOM 0 H PHE A 86 19.487 4.152 3.554 1.00 0.00 H new ATOM 0 HA PHE A 86 17.715 3.354 5.618 1.00 0.00 H new ATOM 0 HB2 PHE A 86 19.318 5.293 5.651 1.00 0.00 H new ATOM 0 HB3 PHE A 86 18.227 6.137 4.571 1.00 0.00 H new ATOM 0 HD1 PHE A 86 15.940 6.788 5.377 1.00 0.00 H new ATOM 0 HD2 PHE A 86 18.855 5.102 7.984 1.00 0.00 H new ATOM 0 HE1 PHE A 86 14.681 7.601 7.318 1.00 0.00 H new ATOM 0 HE2 PHE A 86 17.596 5.919 9.922 1.00 0.00 H new ATOM 0 HZ PHE A 86 15.505 7.166 9.594 1.00 0.00 H new ATOM 1162 N ASN A 87 16.490 4.410 2.833 1.00 0.00 N ATOM 1163 CA ASN A 87 15.328 4.599 2.001 1.00 0.00 C ATOM 1164 C ASN A 87 14.620 3.284 1.791 1.00 0.00 C ATOM 1165 O ASN A 87 13.407 3.221 1.813 1.00 0.00 O ATOM 1166 CB ASN A 87 15.756 5.211 0.648 1.00 0.00 C ATOM 1167 CG ASN A 87 14.648 5.264 -0.396 1.00 0.00 C ATOM 1168 OD1 ASN A 87 13.885 6.200 -0.449 1.00 0.00 O ATOM 1169 ND2 ASN A 87 14.599 4.280 -1.266 1.00 0.00 N ATOM 0 H ASN A 87 17.365 4.500 2.317 1.00 0.00 H new ATOM 0 HA ASN A 87 14.637 5.283 2.494 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.125 6.222 0.821 1.00 0.00 H new ATOM 0 HB3 ASN A 87 16.588 4.632 0.248 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.903 4.293 -2.012 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.257 3.504 -1.195 1.00 0.00 H new ATOM 1176 N PHE A 88 15.384 2.218 1.637 1.00 0.00 N ATOM 1177 CA PHE A 88 14.788 0.916 1.401 1.00 0.00 C ATOM 1178 C PHE A 88 14.159 0.450 2.648 1.00 0.00 C ATOM 1179 O PHE A 88 13.006 0.064 2.650 1.00 0.00 O ATOM 1180 CB PHE A 88 15.797 -0.127 0.917 1.00 0.00 C ATOM 1181 CG PHE A 88 16.653 0.342 -0.193 1.00 0.00 C ATOM 1182 CD1 PHE A 88 16.144 1.139 -1.204 1.00 0.00 C ATOM 1183 CD2 PHE A 88 17.985 0.022 -0.203 1.00 0.00 C ATOM 1184 CE1 PHE A 88 16.961 1.612 -2.187 1.00 0.00 C ATOM 1185 CE2 PHE A 88 18.798 0.479 -1.192 1.00 0.00 C ATOM 1186 CZ PHE A 88 18.290 1.277 -2.175 1.00 0.00 C ATOM 0 H PHE A 88 16.403 2.226 1.670 1.00 0.00 H new ATOM 0 HA PHE A 88 14.051 1.032 0.606 1.00 0.00 H new ATOM 0 HB2 PHE A 88 16.431 -0.421 1.753 1.00 0.00 H new ATOM 0 HB3 PHE A 88 15.258 -1.019 0.596 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.093 1.387 -1.214 1.00 0.00 H new ATOM 0 HD2 PHE A 88 18.393 -0.599 0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 88 16.565 2.245 -2.968 1.00 0.00 H new ATOM 0 HE2 PHE A 88 19.844 0.211 -1.200 1.00 0.00 H new ATOM 0 HZ PHE A 88 18.942 1.649 -2.952 1.00 0.00 H new ATOM 1196 N GLU A 89 14.891 0.572 3.729 1.00 0.00 N ATOM 1197 CA GLU A 89 14.416 0.153 4.999 1.00 0.00 C ATOM 1198 C GLU A 89 13.296 1.059 5.437 1.00 0.00 C ATOM 1199 O GLU A 89 12.346 0.617 6.093 1.00 0.00 O ATOM 1200 CB GLU A 89 15.553 0.088 6.002 1.00 0.00 C ATOM 1201 CG GLU A 89 16.647 -0.879 5.562 1.00 0.00 C ATOM 1202 CD GLU A 89 17.785 -0.956 6.524 1.00 0.00 C ATOM 1203 OE1 GLU A 89 18.564 0.000 6.614 1.00 0.00 O ATOM 1204 OE2 GLU A 89 17.928 -1.987 7.213 1.00 0.00 O ATOM 0 H GLU A 89 15.832 0.966 3.739 1.00 0.00 H new ATOM 0 HA GLU A 89 14.014 -0.858 4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.979 1.083 6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.164 -0.222 6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.216 -1.873 5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.024 -0.571 4.587 1.00 0.00 H new ATOM 1211 N ALA A 90 13.363 2.332 5.028 1.00 0.00 N ATOM 1212 CA ALA A 90 12.287 3.251 5.419 1.00 0.00 C ATOM 1213 C ALA A 90 11.019 2.927 4.655 1.00 0.00 C ATOM 1214 O ALA A 90 9.907 2.996 5.195 1.00 0.00 O ATOM 1215 CB ALA A 90 12.661 4.717 5.254 1.00 0.00 C ATOM 0 H ALA A 90 14.107 2.734 4.458 1.00 0.00 H new ATOM 0 HA ALA A 90 12.115 3.101 6.485 1.00 0.00 H new ATOM 0 HB1 ALA A 90 11.823 5.343 5.560 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.528 4.943 5.874 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.900 4.916 4.209 1.00 0.00 H new ATOM 1221 N ALA A 91 11.184 2.552 3.407 1.00 0.00 N ATOM 1222 CA ALA A 91 10.072 2.181 2.577 1.00 0.00 C ATOM 1223 C ALA A 91 9.511 0.851 3.012 1.00 0.00 C ATOM 1224 O ALA A 91 8.323 0.678 3.033 1.00 0.00 O ATOM 1225 CB ALA A 91 10.450 2.169 1.111 1.00 0.00 C ATOM 0 H ALA A 91 12.091 2.497 2.944 1.00 0.00 H new ATOM 0 HA ALA A 91 9.294 2.935 2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.584 1.884 0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.785 3.163 0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.254 1.452 0.949 1.00 0.00 H new ATOM 1231 N LEU A 92 10.373 -0.070 3.401 1.00 0.00 N ATOM 1232 CA LEU A 92 9.932 -1.376 3.902 1.00 0.00 C ATOM 1233 C LEU A 92 9.046 -1.194 5.116 1.00 0.00 C ATOM 1234 O LEU A 92 8.051 -1.897 5.282 1.00 0.00 O ATOM 1235 CB LEU A 92 11.124 -2.286 4.262 1.00 0.00 C ATOM 1236 CG LEU A 92 12.060 -2.696 3.121 1.00 0.00 C ATOM 1237 CD1 LEU A 92 13.228 -3.510 3.645 1.00 0.00 C ATOM 1238 CD2 LEU A 92 11.314 -3.479 2.070 1.00 0.00 C ATOM 0 H LEU A 92 11.385 0.054 3.383 1.00 0.00 H new ATOM 0 HA LEU A 92 9.370 -1.860 3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.719 -1.779 5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.730 -3.194 4.719 1.00 0.00 H new ATOM 0 HG LEU A 92 12.448 -1.785 2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.878 -3.789 2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.792 -2.916 4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.854 -4.411 4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.999 -3.759 1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.892 -4.379 2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.511 -2.866 1.661 1.00 0.00 H new ATOM 1250 N ALA A 93 9.385 -0.222 5.932 1.00 0.00 N ATOM 1251 CA ALA A 93 8.629 0.066 7.110 1.00 0.00 C ATOM 1252 C ALA A 93 7.327 0.732 6.762 1.00 0.00 C ATOM 1253 O ALA A 93 6.280 0.391 7.311 1.00 0.00 O ATOM 1254 CB ALA A 93 9.432 0.899 8.079 1.00 0.00 C ATOM 0 H ALA A 93 10.192 0.385 5.790 1.00 0.00 H new ATOM 0 HA ALA A 93 8.397 -0.878 7.602 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.833 1.104 8.966 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.332 0.356 8.366 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.712 1.840 7.605 1.00 0.00 H new ATOM 1260 N THR A 94 7.378 1.619 5.799 1.00 0.00 N ATOM 1261 CA THR A 94 6.213 2.345 5.403 1.00 0.00 C ATOM 1262 C THR A 94 5.226 1.385 4.726 1.00 0.00 C ATOM 1263 O THR A 94 4.034 1.360 5.050 1.00 0.00 O ATOM 1264 CB THR A 94 6.593 3.524 4.465 1.00 0.00 C ATOM 1265 OG1 THR A 94 7.547 4.383 5.133 1.00 0.00 O ATOM 1266 CG2 THR A 94 5.370 4.345 4.073 1.00 0.00 C ATOM 0 H THR A 94 8.223 1.851 5.277 1.00 0.00 H new ATOM 0 HA THR A 94 5.735 2.775 6.283 1.00 0.00 H new ATOM 0 HB THR A 94 7.028 3.105 3.558 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.444 3.996 5.058 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.674 5.161 3.417 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.656 3.708 3.552 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.904 4.755 4.969 1.00 0.00 H new ATOM 1274 N GLY A 95 5.775 0.528 3.876 1.00 0.00 N ATOM 1275 CA GLY A 95 5.014 -0.418 3.129 1.00 0.00 C ATOM 1276 C GLY A 95 4.387 -1.460 3.996 1.00 0.00 C ATOM 1277 O GLY A 95 3.288 -1.901 3.725 1.00 0.00 O ATOM 0 H GLY A 95 6.778 0.484 3.696 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.235 0.105 2.573 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.660 -0.901 2.395 1.00 0.00 H new ATOM 1281 N ASP A 96 5.081 -1.860 5.041 1.00 0.00 N ATOM 1282 CA ASP A 96 4.558 -2.866 5.941 1.00 0.00 C ATOM 1283 C ASP A 96 3.375 -2.323 6.695 1.00 0.00 C ATOM 1284 O ASP A 96 2.329 -2.964 6.764 1.00 0.00 O ATOM 1285 CB ASP A 96 5.617 -3.349 6.925 1.00 0.00 C ATOM 1286 CG ASP A 96 5.128 -4.519 7.743 1.00 0.00 C ATOM 1287 OD1 ASP A 96 5.193 -5.673 7.238 1.00 0.00 O ATOM 1288 OD2 ASP A 96 4.660 -4.332 8.867 1.00 0.00 O ATOM 0 H ASP A 96 6.005 -1.505 5.287 1.00 0.00 H new ATOM 0 HA ASP A 96 4.247 -3.718 5.336 1.00 0.00 H new ATOM 0 HB2 ASP A 96 6.516 -3.637 6.380 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.896 -2.531 7.590 1.00 0.00 H new ATOM 1293 N LEU A 97 3.523 -1.114 7.198 1.00 0.00 N ATOM 1294 CA LEU A 97 2.485 -0.474 7.983 1.00 0.00 C ATOM 1295 C LEU A 97 1.240 -0.192 7.172 1.00 0.00 C ATOM 1296 O LEU A 97 0.141 -0.477 7.619 1.00 0.00 O ATOM 1297 CB LEU A 97 3.001 0.785 8.665 1.00 0.00 C ATOM 1298 CG LEU A 97 4.102 0.563 9.698 1.00 0.00 C ATOM 1299 CD1 LEU A 97 4.514 1.875 10.332 1.00 0.00 C ATOM 1300 CD2 LEU A 97 3.645 -0.435 10.755 1.00 0.00 C ATOM 0 H LEU A 97 4.363 -0.549 7.075 1.00 0.00 H new ATOM 0 HA LEU A 97 2.199 -1.182 8.761 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.375 1.465 7.900 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.163 1.283 9.153 1.00 0.00 H new ATOM 0 HG LEU A 97 4.973 0.148 9.192 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.300 1.694 11.065 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.885 2.551 9.562 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.654 2.326 10.826 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.441 -0.583 11.484 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.758 -0.051 11.259 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.408 -1.386 10.279 1.00 0.00 H new ATOM 1312 N LEU A 98 1.402 0.328 5.976 1.00 0.00 N ATOM 1313 CA LEU A 98 0.251 0.588 5.123 1.00 0.00 C ATOM 1314 C LEU A 98 -0.372 -0.709 4.627 1.00 0.00 C ATOM 1315 O LEU A 98 -1.545 -0.745 4.306 1.00 0.00 O ATOM 1316 CB LEU A 98 0.578 1.547 3.975 1.00 0.00 C ATOM 1317 CG LEU A 98 1.671 1.096 3.024 1.00 0.00 C ATOM 1318 CD1 LEU A 98 1.183 0.085 1.992 1.00 0.00 C ATOM 1319 CD2 LEU A 98 2.392 2.264 2.382 1.00 0.00 C ATOM 0 H LEU A 98 2.304 0.578 5.571 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.494 1.095 5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.331 1.716 3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.868 2.507 4.401 1.00 0.00 H new ATOM 0 HG LEU A 98 2.403 0.571 3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.010 -0.199 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.802 -0.800 2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.388 0.530 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.165 1.890 1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.680 2.865 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.851 2.878 3.157 1.00 0.00 H new ATOM 1331 N LEU A 99 0.433 -1.774 4.534 1.00 0.00 N ATOM 1332 CA LEU A 99 -0.076 -3.061 4.103 1.00 0.00 C ATOM 1333 C LEU A 99 -1.003 -3.544 5.205 1.00 0.00 C ATOM 1334 O LEU A 99 -2.071 -4.120 4.960 1.00 0.00 O ATOM 1335 CB LEU A 99 1.087 -4.057 3.860 1.00 0.00 C ATOM 1336 CG LEU A 99 0.858 -5.213 2.853 1.00 0.00 C ATOM 1337 CD1 LEU A 99 2.115 -6.057 2.723 1.00 0.00 C ATOM 1338 CD2 LEU A 99 -0.318 -6.091 3.238 1.00 0.00 C ATOM 0 H LEU A 99 1.429 -1.761 4.751 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.612 -2.982 3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.951 -3.485 3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.354 -4.499 4.820 1.00 0.00 H new ATOM 0 HG LEU A 99 0.623 -4.756 1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.939 -6.865 2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.936 -5.434 2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.373 -6.478 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.436 -6.885 2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.138 -6.530 4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.226 -5.489 3.271 1.00 0.00 H new ATOM 1350 N LYS A 100 -0.607 -3.243 6.424 1.00 0.00 N ATOM 1351 CA LYS A 100 -1.403 -3.531 7.570 1.00 0.00 C ATOM 1352 C LYS A 100 -2.625 -2.638 7.544 1.00 0.00 C ATOM 1353 O LYS A 100 -3.713 -3.056 7.942 1.00 0.00 O ATOM 1354 CB LYS A 100 -0.610 -3.338 8.858 1.00 0.00 C ATOM 1355 CG LYS A 100 0.620 -4.233 8.960 1.00 0.00 C ATOM 1356 CD LYS A 100 1.449 -3.987 10.224 1.00 0.00 C ATOM 1357 CE LYS A 100 0.854 -4.623 11.500 1.00 0.00 C ATOM 1358 NZ LYS A 100 -0.479 -4.101 11.875 1.00 0.00 N ATOM 0 H LYS A 100 0.282 -2.790 6.635 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.712 -4.576 7.544 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.297 -2.296 8.929 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.263 -3.534 9.709 1.00 0.00 H new ATOM 0 HG2 LYS A 100 0.304 -5.276 8.939 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.250 -4.073 8.085 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.454 -4.380 10.069 1.00 0.00 H new ATOM 0 HD3 LYS A 100 1.547 -2.912 10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.782 -5.701 11.355 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.542 -4.458 12.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.586 -4.134 12.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.571 -3.118 11.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.217 -4.684 11.432 1.00 0.00 H new ATOM 1372 N ASP A 101 -2.457 -1.410 7.017 1.00 0.00 N ATOM 1373 CA ASP A 101 -3.595 -0.495 6.890 1.00 0.00 C ATOM 1374 C ASP A 101 -4.604 -1.023 5.891 1.00 0.00 C ATOM 1375 O ASP A 101 -5.814 -0.914 6.115 1.00 0.00 O ATOM 1376 CB ASP A 101 -3.207 0.953 6.526 1.00 0.00 C ATOM 1377 CG ASP A 101 -2.652 1.754 7.681 1.00 0.00 C ATOM 1378 OD1 ASP A 101 -3.424 2.086 8.600 1.00 0.00 O ATOM 1379 OD2 ASP A 101 -1.457 2.106 7.681 1.00 0.00 O ATOM 0 H ASP A 101 -1.567 -1.040 6.682 1.00 0.00 H new ATOM 0 HA ASP A 101 -4.040 -0.453 7.884 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.467 0.929 5.726 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.085 1.465 6.132 1.00 0.00 H new ATOM 1384 N LEU A 102 -4.098 -1.605 4.801 1.00 0.00 N ATOM 1385 CA LEU A 102 -4.922 -2.204 3.755 1.00 0.00 C ATOM 1386 C LEU A 102 -5.813 -3.295 4.338 1.00 0.00 C ATOM 1387 O LEU A 102 -7.028 -3.287 4.151 1.00 0.00 O ATOM 1388 CB LEU A 102 -4.046 -2.807 2.631 1.00 0.00 C ATOM 1389 CG LEU A 102 -3.146 -1.842 1.837 1.00 0.00 C ATOM 1390 CD1 LEU A 102 -2.274 -2.618 0.866 1.00 0.00 C ATOM 1391 CD2 LEU A 102 -3.977 -0.821 1.074 1.00 0.00 C ATOM 0 H LEU A 102 -3.096 -1.673 4.621 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.542 -1.414 3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.410 -3.573 3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.705 -3.311 1.924 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.513 -1.311 2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.642 -1.925 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.647 -3.317 1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.906 -3.170 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.316 -0.153 0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -4.636 -1.337 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.575 -0.241 1.776 1.00 0.00 H new ATOM 1403 N LYS A 103 -5.216 -4.200 5.089 1.00 0.00 N ATOM 1404 CA LYS A 103 -5.957 -5.311 5.660 1.00 0.00 C ATOM 1405 C LYS A 103 -6.887 -4.874 6.786 1.00 0.00 C ATOM 1406 O LYS A 103 -7.993 -5.420 6.935 1.00 0.00 O ATOM 1407 CB LYS A 103 -5.020 -6.428 6.104 1.00 0.00 C ATOM 1408 CG LYS A 103 -4.271 -7.059 4.947 1.00 0.00 C ATOM 1409 CD LYS A 103 -3.386 -8.201 5.397 1.00 0.00 C ATOM 1410 CE LYS A 103 -2.710 -8.842 4.202 1.00 0.00 C ATOM 1411 NZ LYS A 103 -1.867 -9.993 4.578 1.00 0.00 N ATOM 0 H LYS A 103 -4.222 -4.189 5.318 1.00 0.00 H new ATOM 0 HA LYS A 103 -6.596 -5.706 4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.303 -6.031 6.822 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.596 -7.196 6.620 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.985 -7.424 4.209 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -3.662 -6.301 4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -2.634 -7.834 6.096 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -3.981 -8.944 5.929 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -3.469 -9.169 3.492 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -2.097 -8.098 3.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -1.428 -10.395 3.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -1.124 -9.679 5.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -2.454 -10.717 5.039 1.00 0.00 H new ATOM 1425 N ALA A 104 -6.481 -3.862 7.532 1.00 0.00 N ATOM 1426 CA ALA A 104 -7.281 -3.363 8.627 1.00 0.00 C ATOM 1427 C ALA A 104 -8.489 -2.648 8.086 1.00 0.00 C ATOM 1428 O ALA A 104 -9.603 -2.796 8.605 1.00 0.00 O ATOM 1429 CB ALA A 104 -6.472 -2.440 9.522 1.00 0.00 C ATOM 0 H ALA A 104 -5.598 -3.371 7.395 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.606 -4.209 9.233 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.100 -2.080 10.337 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.622 -2.985 9.933 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.112 -1.592 8.940 1.00 0.00 H new ATOM 1435 N LEU A 105 -8.293 -1.914 6.997 1.00 0.00 N ATOM 1436 CA LEU A 105 -9.373 -1.187 6.403 1.00 0.00 C ATOM 1437 C LEU A 105 -10.308 -2.174 5.785 1.00 0.00 C ATOM 1438 O LEU A 105 -11.468 -1.991 5.830 1.00 0.00 O ATOM 1439 CB LEU A 105 -8.910 -0.113 5.375 1.00 0.00 C ATOM 1440 CG LEU A 105 -8.736 -0.550 3.910 1.00 0.00 C ATOM 1441 CD1 LEU A 105 -10.017 -0.358 3.116 1.00 0.00 C ATOM 1442 CD2 LEU A 105 -7.595 0.163 3.248 1.00 0.00 C ATOM 0 H LEU A 105 -7.396 -1.816 6.521 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.878 -0.619 7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.631 0.705 5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.958 0.292 5.719 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.501 -1.614 3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.858 -0.677 2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.814 -0.954 3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.300 0.695 3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.506 -0.174 2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.778 1.237 3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.670 -0.056 3.782 1.00 0.00 H new ATOM 1454 N GLN A 106 -9.756 -3.262 5.253 1.00 0.00 N ATOM 1455 CA GLN A 106 -10.527 -4.293 4.600 1.00 0.00 C ATOM 1456 C GLN A 106 -11.518 -4.863 5.557 1.00 0.00 C ATOM 1457 O GLN A 106 -12.657 -5.040 5.217 1.00 0.00 O ATOM 1458 CB GLN A 106 -9.605 -5.377 4.037 1.00 0.00 C ATOM 1459 CG GLN A 106 -10.322 -6.552 3.408 1.00 0.00 C ATOM 1460 CD GLN A 106 -9.370 -7.624 2.940 1.00 0.00 C ATOM 1461 OE1 GLN A 106 -9.010 -8.522 3.701 1.00 0.00 O ATOM 1462 NE2 GLN A 106 -8.974 -7.565 1.696 1.00 0.00 N ATOM 0 H GLN A 106 -8.753 -3.445 5.268 1.00 0.00 H new ATOM 0 HA GLN A 106 -11.072 -3.859 3.762 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.950 -4.927 3.291 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.967 -5.746 4.840 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -11.018 -6.978 4.131 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -10.915 -6.202 2.563 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.293 -6.806 1.095 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.346 -8.278 1.326 1.00 0.00 H new ATOM 1471 N LYS A 107 -11.090 -5.090 6.760 1.00 0.00 N ATOM 1472 CA LYS A 107 -11.965 -5.599 7.784 1.00 0.00 C ATOM 1473 C LYS A 107 -13.021 -4.559 8.182 1.00 0.00 C ATOM 1474 O LYS A 107 -14.172 -4.905 8.393 1.00 0.00 O ATOM 1475 CB LYS A 107 -11.151 -6.082 8.971 1.00 0.00 C ATOM 1476 CG LYS A 107 -11.233 -7.584 9.217 1.00 0.00 C ATOM 1477 CD LYS A 107 -10.859 -8.446 7.999 1.00 0.00 C ATOM 1478 CE LYS A 107 -9.406 -8.277 7.577 1.00 0.00 C ATOM 1479 NZ LYS A 107 -9.046 -9.208 6.484 1.00 0.00 N ATOM 0 H LYS A 107 -10.130 -4.930 7.065 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.512 -6.455 7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.107 -5.807 8.817 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -11.490 -5.560 9.866 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -10.573 -7.841 10.046 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -12.247 -7.835 9.527 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -11.045 -9.495 8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -11.508 -8.185 7.163 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -9.238 -7.250 7.252 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.755 -8.451 8.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -8.065 -9.530 6.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -9.685 -10.029 6.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -9.135 -8.721 5.570 1.00 0.00 H new ATOM 1493 N ARG A 108 -12.632 -3.297 8.214 1.00 0.00 N ATOM 1494 CA ARG A 108 -13.549 -2.205 8.549 1.00 0.00 C ATOM 1495 C ARG A 108 -14.580 -2.041 7.436 1.00 0.00 C ATOM 1496 O ARG A 108 -15.777 -1.892 7.676 1.00 0.00 O ATOM 1497 CB ARG A 108 -12.789 -0.880 8.769 1.00 0.00 C ATOM 1498 CG ARG A 108 -11.816 -0.892 9.944 1.00 0.00 C ATOM 1499 CD ARG A 108 -11.195 0.486 10.185 1.00 0.00 C ATOM 1500 NE ARG A 108 -10.291 0.935 9.102 1.00 0.00 N ATOM 1501 CZ ARG A 108 -10.395 2.113 8.446 1.00 0.00 C ATOM 1502 NH1 ARG A 108 -11.452 2.889 8.626 1.00 0.00 N ATOM 1503 NH2 ARG A 108 -9.435 2.497 7.612 1.00 0.00 N ATOM 0 H ARG A 108 -11.679 -2.994 8.011 1.00 0.00 H new ATOM 0 HA ARG A 108 -14.055 -2.457 9.481 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.238 -0.638 7.860 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.515 -0.082 8.924 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.338 -1.217 10.844 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -11.026 -1.618 9.753 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -11.994 1.218 10.305 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -10.640 0.464 11.123 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.533 0.309 8.830 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -12.195 2.600 9.263 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -11.524 3.776 8.128 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.619 1.903 7.466 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -9.514 3.386 7.118 1.00 0.00 H new ATOM 1517 N VAL A 109 -14.103 -2.111 6.226 1.00 0.00 N ATOM 1518 CA VAL A 109 -14.913 -1.982 5.053 1.00 0.00 C ATOM 1519 C VAL A 109 -15.826 -3.192 4.889 1.00 0.00 C ATOM 1520 O VAL A 109 -16.999 -3.055 4.519 1.00 0.00 O ATOM 1521 CB VAL A 109 -14.039 -1.736 3.820 1.00 0.00 C ATOM 1522 CG1 VAL A 109 -14.846 -1.711 2.541 1.00 0.00 C ATOM 1523 CG2 VAL A 109 -13.317 -0.434 3.993 1.00 0.00 C ATOM 0 H VAL A 109 -13.115 -2.263 6.025 1.00 0.00 H new ATOM 0 HA VAL A 109 -15.560 -1.112 5.165 1.00 0.00 H new ATOM 0 HB VAL A 109 -13.331 -2.560 3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.182 -1.534 1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -15.351 -2.668 2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.587 -0.913 2.594 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.690 -0.247 3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.042 0.373 4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -12.693 -0.480 4.885 1.00 0.00 H new ATOM 1533 N GLN A 110 -15.286 -4.357 5.187 1.00 0.00 N ATOM 1534 CA GLN A 110 -16.034 -5.602 5.210 1.00 0.00 C ATOM 1535 C GLN A 110 -17.153 -5.477 6.224 1.00 0.00 C ATOM 1536 O GLN A 110 -18.275 -5.918 5.996 1.00 0.00 O ATOM 1537 CB GLN A 110 -15.082 -6.738 5.591 1.00 0.00 C ATOM 1538 CG GLN A 110 -15.663 -8.129 5.830 1.00 0.00 C ATOM 1539 CD GLN A 110 -16.312 -8.820 4.615 1.00 0.00 C ATOM 1540 OE1 GLN A 110 -16.204 -10.038 4.475 1.00 0.00 O ATOM 1541 NE2 GLN A 110 -17.063 -8.109 3.806 1.00 0.00 N ATOM 0 H GLN A 110 -14.300 -4.469 5.424 1.00 0.00 H new ATOM 0 HA GLN A 110 -16.466 -5.816 4.232 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -14.335 -6.822 4.802 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.556 -6.439 6.497 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -14.866 -8.772 6.203 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.410 -8.056 6.620 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -17.141 -7.100 3.937 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.569 -8.565 3.047 1.00 0.00 H new ATOM 1550 N ASP A 111 -16.824 -4.817 7.306 1.00 0.00 N ATOM 1551 CA ASP A 111 -17.733 -4.530 8.387 1.00 0.00 C ATOM 1552 C ASP A 111 -18.817 -3.529 7.962 1.00 0.00 C ATOM 1553 O ASP A 111 -19.949 -3.581 8.437 1.00 0.00 O ATOM 1554 CB ASP A 111 -16.933 -4.005 9.602 1.00 0.00 C ATOM 1555 CG ASP A 111 -17.763 -3.408 10.713 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -18.404 -4.164 11.467 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -17.756 -2.162 10.880 1.00 0.00 O ATOM 0 H ASP A 111 -15.884 -4.453 7.464 1.00 0.00 H new ATOM 0 HA ASP A 111 -18.246 -5.450 8.667 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -16.345 -4.827 10.011 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -16.227 -3.251 9.253 1.00 0.00 H new ATOM 1562 N SER A 112 -18.477 -2.655 7.032 1.00 0.00 N ATOM 1563 CA SER A 112 -19.376 -1.611 6.612 1.00 0.00 C ATOM 1564 C SER A 112 -20.511 -2.112 5.691 1.00 0.00 C ATOM 1565 O SER A 112 -21.563 -1.490 5.636 1.00 0.00 O ATOM 1566 CB SER A 112 -18.593 -0.496 5.942 1.00 0.00 C ATOM 1567 OG SER A 112 -17.535 -0.056 6.769 1.00 0.00 O ATOM 0 H SER A 112 -17.576 -2.653 6.554 1.00 0.00 H new ATOM 0 HA SER A 112 -19.864 -1.232 7.510 1.00 0.00 H new ATOM 0 HB2 SER A 112 -18.194 -0.847 4.990 1.00 0.00 H new ATOM 0 HB3 SER A 112 -19.258 0.339 5.720 1.00 0.00 H new ATOM 0 HG SER A 112 -16.868 -0.769 6.855 1.00 0.00 H new