USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 435 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 36 LYS NZ :NH3+ 167:sc= 2.51 (180deg=0.589) USER MOD Set 1.2: A 62 GLN : amide:sc= 1.32 K(o=3.8,f=-9.2!) USER MOD Set 2.1: A 18 THR OG1 : rot 3:sc= 1.04 USER MOD Set 2.2: A 19 ASN : amide:sc= 0 X(o=1,f=0.75) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 161:sc= -1.53! USER MOD Single : A 11 THR OG1 : rot 135:sc= 2.33 USER MOD Single : A 15 TYR OH : rot -115:sc= 1.21 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.656 USER MOD Single : A 32 HIS : no HE2:sc= 0.955 K(o=0.96,f=-4.3!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.162 USER MOD Single : A 38 THR OG1 : rot -110:sc= 1.36 USER MOD Single : A 45 LYS NZ :NH3+ 151:sc= 0.0162 (180deg=0) USER MOD Single : A 49 ASN :FLIP amide:sc= -1.17 F(o=-2.6!,f=-1.2) USER MOD Single : A 51 LYS NZ :NH3+ -134:sc= 0.131 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N GLU A 7 -10.159 2.227 -2.583 1.00 0.00 N ATOM 77 CA GLU A 7 -9.675 2.693 -1.334 1.00 0.00 C ATOM 78 C GLU A 7 -8.261 3.199 -1.584 1.00 0.00 C ATOM 79 O GLU A 7 -7.513 2.590 -2.360 1.00 0.00 O ATOM 80 CB GLU A 7 -9.721 1.527 -0.323 1.00 0.00 C ATOM 81 CG GLU A 7 -11.106 0.852 -0.283 1.00 0.00 C ATOM 82 CD GLU A 7 -11.238 -0.273 0.725 1.00 0.00 C ATOM 83 OE1 GLU A 7 -10.890 -1.426 0.416 1.00 0.00 O ATOM 84 OE2 GLU A 7 -11.747 -0.025 1.842 1.00 0.00 O ATOM 0 HA GLU A 7 -10.275 3.501 -0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.965 0.788 -0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.470 1.898 0.671 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.857 1.610 -0.061 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.332 0.460 -1.275 1.00 0.00 H new ATOM 91 N TYR A 8 -7.904 4.319 -1.018 1.00 0.00 N ATOM 92 CA TYR A 8 -6.597 4.892 -1.294 1.00 0.00 C ATOM 93 C TYR A 8 -5.924 5.232 -0.013 1.00 0.00 C ATOM 94 O TYR A 8 -6.565 5.727 0.915 1.00 0.00 O ATOM 95 CB TYR A 8 -6.695 6.144 -2.186 1.00 0.00 C ATOM 96 CG TYR A 8 -7.426 5.900 -3.490 1.00 0.00 C ATOM 97 CD1 TYR A 8 -6.770 5.343 -4.572 1.00 0.00 C ATOM 98 CD2 TYR A 8 -8.779 6.200 -3.626 1.00 0.00 C ATOM 99 CE1 TYR A 8 -7.434 5.094 -5.753 1.00 0.00 C ATOM 100 CE2 TYR A 8 -9.450 5.946 -4.804 1.00 0.00 C ATOM 101 CZ TYR A 8 -8.771 5.394 -5.863 1.00 0.00 C ATOM 102 OH TYR A 8 -9.428 5.133 -7.039 1.00 0.00 O ATOM 0 H TYR A 8 -8.483 4.854 -0.371 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.012 4.149 -1.836 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.205 6.934 -1.635 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.690 6.505 -2.404 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.721 5.099 -4.490 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.312 6.639 -2.795 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -6.905 4.664 -6.591 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -10.501 6.179 -4.893 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.367 5.401 -6.956 1.00 0.00 H new ATOM 112 N CYS A 9 -4.663 4.974 0.060 1.00 0.00 N ATOM 113 CA CYS A 9 -3.929 5.225 1.254 1.00 0.00 C ATOM 114 C CYS A 9 -2.746 6.134 0.993 1.00 0.00 C ATOM 115 O CYS A 9 -2.187 6.139 -0.106 1.00 0.00 O ATOM 116 CB CYS A 9 -3.499 3.896 1.891 1.00 0.00 C ATOM 117 SG CYS A 9 -2.612 2.776 0.778 1.00 0.00 S ATOM 0 H CYS A 9 -4.112 4.584 -0.705 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.575 5.748 1.959 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.864 4.109 2.751 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.385 3.386 2.268 1.00 0.00 H new ATOM 0 HG CYS A 9 -1.947 1.905 1.478 1.00 0.00 H new ATOM 123 N ARG A 10 -2.412 6.938 1.974 1.00 0.00 N ATOM 124 CA ARG A 10 -1.258 7.787 1.900 1.00 0.00 C ATOM 125 C ARG A 10 -0.227 7.226 2.832 1.00 0.00 C ATOM 126 O ARG A 10 -0.554 6.831 3.959 1.00 0.00 O ATOM 127 CB ARG A 10 -1.577 9.231 2.298 1.00 0.00 C ATOM 128 CG ARG A 10 -0.381 10.167 2.164 1.00 0.00 C ATOM 129 CD ARG A 10 -0.687 11.579 2.638 1.00 0.00 C ATOM 130 NE ARG A 10 -1.095 11.629 4.053 1.00 0.00 N ATOM 131 CZ ARG A 10 -0.255 11.681 5.108 1.00 0.00 C ATOM 132 NH1 ARG A 10 1.054 11.511 4.940 1.00 0.00 N ATOM 133 NH2 ARG A 10 -0.730 11.876 6.328 1.00 0.00 N ATOM 0 H ARG A 10 -2.937 7.019 2.845 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.900 7.813 0.871 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.392 9.601 1.676 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.930 9.248 3.329 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.454 9.768 2.739 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.064 10.198 1.122 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.194 12.204 2.496 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.480 12.001 2.021 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.095 11.624 4.252 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.431 11.340 4.008 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.681 11.552 5.744 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.734 11.987 6.473 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.093 11.915 7.123 1.00 0.00 H new ATOM 147 N THR A 11 0.974 7.166 2.388 1.00 0.00 N ATOM 148 CA THR A 11 2.028 6.608 3.160 1.00 0.00 C ATOM 149 C THR A 11 2.555 7.584 4.212 1.00 0.00 C ATOM 150 O THR A 11 2.723 8.788 3.952 1.00 0.00 O ATOM 151 CB THR A 11 3.131 6.128 2.233 1.00 0.00 C ATOM 152 OG1 THR A 11 3.539 7.209 1.389 1.00 0.00 O ATOM 153 CG2 THR A 11 2.597 5.011 1.369 1.00 0.00 C ATOM 0 H THR A 11 1.259 7.506 1.469 1.00 0.00 H new ATOM 0 HA THR A 11 1.636 5.756 3.715 1.00 0.00 H new ATOM 0 HB THR A 11 3.978 5.775 2.821 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.518 7.247 1.356 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.383 4.661 0.700 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.266 4.188 2.002 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.756 5.377 0.780 1.00 0.00 H new ATOM 161 N LEU A 12 2.773 7.063 5.393 1.00 0.00 N ATOM 162 CA LEU A 12 3.264 7.828 6.521 1.00 0.00 C ATOM 163 C LEU A 12 4.755 7.598 6.684 1.00 0.00 C ATOM 164 O LEU A 12 5.440 8.354 7.350 1.00 0.00 O ATOM 165 CB LEU A 12 2.550 7.377 7.799 1.00 0.00 C ATOM 166 CG LEU A 12 1.031 7.544 7.835 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.465 6.934 9.108 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.656 9.012 7.747 1.00 0.00 C ATOM 0 H LEU A 12 2.613 6.078 5.606 1.00 0.00 H new ATOM 0 HA LEU A 12 3.071 8.886 6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.780 6.324 7.963 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.973 7.930 8.638 1.00 0.00 H new ATOM 0 HG LEU A 12 0.605 7.025 6.976 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.618 7.060 9.121 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.708 5.872 9.142 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.899 7.433 9.975 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.429 9.113 7.774 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.091 9.550 8.589 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.036 9.429 6.815 1.00 0.00 H new ATOM 180 N PHE A 13 5.240 6.541 6.083 1.00 0.00 N ATOM 181 CA PHE A 13 6.636 6.171 6.150 1.00 0.00 C ATOM 182 C PHE A 13 7.004 5.558 4.824 1.00 0.00 C ATOM 183 O PHE A 13 6.114 5.114 4.106 1.00 0.00 O ATOM 184 CB PHE A 13 6.881 5.118 7.259 1.00 0.00 C ATOM 185 CG PHE A 13 6.571 5.565 8.664 1.00 0.00 C ATOM 186 CD1 PHE A 13 7.509 6.261 9.401 1.00 0.00 C ATOM 187 CD2 PHE A 13 5.345 5.284 9.244 1.00 0.00 C ATOM 188 CE1 PHE A 13 7.232 6.669 10.689 1.00 0.00 C ATOM 189 CE2 PHE A 13 5.062 5.689 10.529 1.00 0.00 C ATOM 190 CZ PHE A 13 6.006 6.382 11.254 1.00 0.00 C ATOM 0 H PHE A 13 4.671 5.903 5.526 1.00 0.00 H new ATOM 0 HA PHE A 13 7.235 7.054 6.374 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.280 4.237 7.037 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.926 4.810 7.218 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.470 6.488 8.964 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.601 4.740 8.681 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.974 7.213 11.255 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.101 5.464 10.968 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.787 6.700 12.263 1.00 0.00 H new ATOM 200 N PRO A 14 8.283 5.569 4.444 1.00 0.00 N ATOM 201 CA PRO A 14 8.738 4.890 3.245 1.00 0.00 C ATOM 202 C PRO A 14 9.015 3.395 3.517 1.00 0.00 C ATOM 203 O PRO A 14 9.377 3.000 4.650 1.00 0.00 O ATOM 204 CB PRO A 14 10.036 5.621 2.908 1.00 0.00 C ATOM 205 CG PRO A 14 10.579 6.051 4.227 1.00 0.00 C ATOM 206 CD PRO A 14 9.389 6.285 5.125 1.00 0.00 C ATOM 0 HA PRO A 14 8.002 4.912 2.441 1.00 0.00 H new ATOM 0 HB2 PRO A 14 10.735 4.968 2.386 1.00 0.00 H new ATOM 0 HB3 PRO A 14 9.852 6.476 2.257 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.235 5.287 4.644 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.172 6.960 4.125 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.562 5.893 6.127 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.171 7.348 5.231 1.00 0.00 H new ATOM 214 N TYR A 15 8.860 2.581 2.511 1.00 0.00 N ATOM 215 CA TYR A 15 9.104 1.160 2.632 1.00 0.00 C ATOM 216 C TYR A 15 9.844 0.714 1.404 1.00 0.00 C ATOM 217 O TYR A 15 9.406 0.978 0.286 1.00 0.00 O ATOM 218 CB TYR A 15 7.786 0.381 2.777 1.00 0.00 C ATOM 219 CG TYR A 15 7.941 -1.107 3.054 1.00 0.00 C ATOM 220 CD1 TYR A 15 8.226 -1.557 4.333 1.00 0.00 C ATOM 221 CD2 TYR A 15 7.789 -2.060 2.046 1.00 0.00 C ATOM 222 CE1 TYR A 15 8.357 -2.903 4.610 1.00 0.00 C ATOM 223 CE2 TYR A 15 7.922 -3.409 2.316 1.00 0.00 C ATOM 224 CZ TYR A 15 8.206 -3.825 3.600 1.00 0.00 C ATOM 225 OH TYR A 15 8.328 -5.175 3.878 1.00 0.00 O ATOM 0 H TYR A 15 8.561 2.878 1.582 1.00 0.00 H new ATOM 0 HA TYR A 15 9.695 0.962 3.527 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.206 0.826 3.585 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.206 0.506 1.863 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.348 -0.839 5.131 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.564 -1.739 1.040 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.577 -3.231 5.615 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.804 -4.134 1.525 1.00 0.00 H new ATOM 0 HH TYR A 15 9.110 -5.536 3.411 1.00 0.00 H new ATOM 235 N THR A 16 10.962 0.083 1.600 1.00 0.00 N ATOM 236 CA THR A 16 11.762 -0.370 0.503 1.00 0.00 C ATOM 237 C THR A 16 11.767 -1.883 0.480 1.00 0.00 C ATOM 238 O THR A 16 12.312 -2.519 1.394 1.00 0.00 O ATOM 239 CB THR A 16 13.209 0.148 0.629 1.00 0.00 C ATOM 240 OG1 THR A 16 13.190 1.572 0.859 1.00 0.00 O ATOM 241 CG2 THR A 16 13.999 -0.147 -0.644 1.00 0.00 C ATOM 0 H THR A 16 11.344 -0.132 2.521 1.00 0.00 H new ATOM 0 HA THR A 16 11.336 0.016 -0.423 1.00 0.00 H new ATOM 0 HB THR A 16 13.690 -0.359 1.466 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.109 1.902 0.941 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.017 0.226 -0.535 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.023 -1.223 -0.816 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.521 0.345 -1.491 1.00 0.00 H new ATOM 249 N GLY A 17 11.133 -2.457 -0.512 1.00 0.00 N ATOM 250 CA GLY A 17 11.102 -3.863 -0.634 1.00 0.00 C ATOM 251 C GLY A 17 12.456 -4.430 -0.947 1.00 0.00 C ATOM 252 O GLY A 17 13.246 -3.818 -1.665 1.00 0.00 O ATOM 0 H GLY A 17 10.633 -1.953 -1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.732 -4.299 0.294 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.401 -4.143 -1.420 1.00 0.00 H new ATOM 256 N THR A 18 12.727 -5.578 -0.412 1.00 0.00 N ATOM 257 CA THR A 18 13.963 -6.254 -0.659 1.00 0.00 C ATOM 258 C THR A 18 13.764 -7.136 -1.873 1.00 0.00 C ATOM 259 O THR A 18 14.706 -7.513 -2.584 1.00 0.00 O ATOM 260 CB THR A 18 14.425 -7.068 0.580 1.00 0.00 C ATOM 261 OG1 THR A 18 13.349 -7.895 1.103 1.00 0.00 O ATOM 262 CG2 THR A 18 14.922 -6.135 1.673 1.00 0.00 C ATOM 0 H THR A 18 12.094 -6.077 0.213 1.00 0.00 H new ATOM 0 HA THR A 18 14.757 -5.532 -0.851 1.00 0.00 H new ATOM 0 HB THR A 18 15.238 -7.719 0.259 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.557 -7.800 0.534 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.242 -6.721 2.534 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.763 -5.551 1.299 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.118 -5.462 1.971 1.00 0.00 H new ATOM 270 N ASN A 19 12.510 -7.419 -2.109 1.00 0.00 N ATOM 271 CA ASN A 19 12.041 -8.131 -3.252 1.00 0.00 C ATOM 272 C ASN A 19 11.086 -7.204 -3.933 1.00 0.00 C ATOM 273 O ASN A 19 10.527 -6.334 -3.270 1.00 0.00 O ATOM 274 CB ASN A 19 11.268 -9.389 -2.833 1.00 0.00 C ATOM 275 CG ASN A 19 12.076 -10.365 -2.021 1.00 0.00 C ATOM 276 OD1 ASN A 19 12.776 -11.225 -2.559 1.00 0.00 O ATOM 277 ND2 ASN A 19 11.959 -10.274 -0.728 1.00 0.00 N ATOM 0 H ASN A 19 11.759 -7.143 -1.476 1.00 0.00 H new ATOM 0 HA ASN A 19 12.873 -8.438 -3.885 1.00 0.00 H new ATOM 0 HB2 ASN A 19 10.393 -9.089 -2.256 1.00 0.00 H new ATOM 0 HB3 ASN A 19 10.902 -9.893 -3.728 1.00 0.00 H new ATOM 0 HD21 ASN A 19 12.456 -10.928 -0.124 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.370 -9.549 -0.319 1.00 0.00 H new ATOM 284 N GLU A 20 10.848 -7.381 -5.208 1.00 0.00 N ATOM 285 CA GLU A 20 9.900 -6.521 -5.906 1.00 0.00 C ATOM 286 C GLU A 20 8.485 -7.099 -5.784 1.00 0.00 C ATOM 287 O GLU A 20 7.540 -6.687 -6.463 1.00 0.00 O ATOM 288 CB GLU A 20 10.331 -6.271 -7.354 1.00 0.00 C ATOM 289 CG GLU A 20 10.392 -7.495 -8.221 1.00 0.00 C ATOM 290 CD GLU A 20 11.057 -7.213 -9.530 1.00 0.00 C ATOM 291 OE1 GLU A 20 10.499 -6.476 -10.361 1.00 0.00 O ATOM 292 OE2 GLU A 20 12.165 -7.726 -9.752 1.00 0.00 O ATOM 0 H GLU A 20 11.286 -8.099 -5.785 1.00 0.00 H new ATOM 0 HA GLU A 20 9.889 -5.539 -5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.639 -5.560 -7.805 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.314 -5.800 -7.348 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.935 -8.284 -7.700 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.383 -7.866 -8.398 1.00 0.00 H new ATOM 299 N ASP A 21 8.385 -8.072 -4.892 1.00 0.00 N ATOM 300 CA ASP A 21 7.126 -8.655 -4.437 1.00 0.00 C ATOM 301 C ASP A 21 6.541 -7.679 -3.426 1.00 0.00 C ATOM 302 O ASP A 21 5.320 -7.501 -3.300 1.00 0.00 O ATOM 303 CB ASP A 21 7.409 -10.016 -3.775 1.00 0.00 C ATOM 304 CG ASP A 21 6.194 -10.666 -3.137 1.00 0.00 C ATOM 305 OD1 ASP A 21 5.220 -10.976 -3.853 1.00 0.00 O ATOM 306 OD2 ASP A 21 6.210 -10.902 -1.905 1.00 0.00 O ATOM 0 H ASP A 21 9.202 -8.493 -4.449 1.00 0.00 H new ATOM 0 HA ASP A 21 6.430 -8.820 -5.260 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.817 -10.694 -4.525 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.177 -9.883 -3.013 1.00 0.00 H new ATOM 311 N GLU A 22 7.454 -7.019 -2.752 1.00 0.00 N ATOM 312 CA GLU A 22 7.170 -5.953 -1.844 1.00 0.00 C ATOM 313 C GLU A 22 7.004 -4.705 -2.664 1.00 0.00 C ATOM 314 O GLU A 22 7.607 -4.581 -3.742 1.00 0.00 O ATOM 315 CB GLU A 22 8.349 -5.760 -0.906 1.00 0.00 C ATOM 316 CG GLU A 22 8.518 -6.821 0.147 1.00 0.00 C ATOM 317 CD GLU A 22 9.858 -6.726 0.854 1.00 0.00 C ATOM 318 OE1 GLU A 22 10.866 -7.279 0.330 1.00 0.00 O ATOM 319 OE2 GLU A 22 9.953 -6.072 1.927 1.00 0.00 O ATOM 0 H GLU A 22 8.450 -7.224 -2.830 1.00 0.00 H new ATOM 0 HA GLU A 22 6.276 -6.172 -1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.261 -5.715 -1.501 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.243 -4.795 -0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.716 -6.732 0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.422 -7.804 -0.313 1.00 0.00 H new ATOM 326 N LEU A 23 6.212 -3.804 -2.215 1.00 0.00 N ATOM 327 CA LEU A 23 6.042 -2.593 -2.958 1.00 0.00 C ATOM 328 C LEU A 23 6.816 -1.477 -2.294 1.00 0.00 C ATOM 329 O LEU A 23 6.672 -1.223 -1.099 1.00 0.00 O ATOM 330 CB LEU A 23 4.543 -2.278 -3.203 1.00 0.00 C ATOM 331 CG LEU A 23 4.183 -1.105 -4.153 1.00 0.00 C ATOM 332 CD1 LEU A 23 4.256 0.234 -3.449 1.00 0.00 C ATOM 333 CD2 LEU A 23 5.087 -1.093 -5.386 1.00 0.00 C ATOM 0 H LEU A 23 5.674 -3.870 -1.351 1.00 0.00 H new ATOM 0 HA LEU A 23 6.461 -2.712 -3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.074 -3.180 -3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.084 -2.075 -2.236 1.00 0.00 H new ATOM 0 HG LEU A 23 3.153 -1.266 -4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.997 1.028 -4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.556 0.244 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.268 0.395 -3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.810 -0.260 -6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.126 -0.981 -5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.971 -2.029 -5.932 1.00 0.00 H new ATOM 345 N THR A 24 7.642 -0.844 -3.072 1.00 0.00 N ATOM 346 CA THR A 24 8.502 0.200 -2.593 1.00 0.00 C ATOM 347 C THR A 24 7.850 1.559 -2.809 1.00 0.00 C ATOM 348 O THR A 24 7.485 1.924 -3.943 1.00 0.00 O ATOM 349 CB THR A 24 9.888 0.127 -3.295 1.00 0.00 C ATOM 350 OG1 THR A 24 10.523 -1.133 -2.983 1.00 0.00 O ATOM 351 CG2 THR A 24 10.802 1.281 -2.875 1.00 0.00 C ATOM 0 H THR A 24 7.740 -1.039 -4.068 1.00 0.00 H new ATOM 0 HA THR A 24 8.659 0.064 -1.523 1.00 0.00 H new ATOM 0 HB THR A 24 9.722 0.208 -4.369 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.395 -1.179 -3.427 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.760 1.192 -3.388 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.335 2.230 -3.140 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.963 1.244 -1.798 1.00 0.00 H new ATOM 359 N PHE A 25 7.654 2.259 -1.719 1.00 0.00 N ATOM 360 CA PHE A 25 7.074 3.571 -1.727 1.00 0.00 C ATOM 361 C PHE A 25 7.844 4.520 -0.838 1.00 0.00 C ATOM 362 O PHE A 25 8.560 4.088 0.081 1.00 0.00 O ATOM 363 CB PHE A 25 5.595 3.533 -1.323 1.00 0.00 C ATOM 364 CG PHE A 25 5.294 2.824 -0.028 1.00 0.00 C ATOM 365 CD1 PHE A 25 5.513 3.432 1.193 1.00 0.00 C ATOM 366 CD2 PHE A 25 4.766 1.557 -0.045 1.00 0.00 C ATOM 367 CE1 PHE A 25 5.212 2.782 2.367 1.00 0.00 C ATOM 368 CE2 PHE A 25 4.461 0.910 1.118 1.00 0.00 C ATOM 369 CZ PHE A 25 4.679 1.519 2.327 1.00 0.00 C ATOM 0 H PHE A 25 7.899 1.923 -0.787 1.00 0.00 H new ATOM 0 HA PHE A 25 7.134 3.943 -2.750 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.230 4.557 -1.249 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.031 3.050 -2.121 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.925 4.430 1.226 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.590 1.066 -0.990 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.395 3.264 3.316 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.046 -0.087 1.085 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.432 1.006 3.245 1.00 0.00 H new ATOM 379 N ARG A 26 7.687 5.794 -1.088 1.00 0.00 N ATOM 380 CA ARG A 26 8.270 6.817 -0.250 1.00 0.00 C ATOM 381 C ARG A 26 7.188 7.348 0.699 1.00 0.00 C ATOM 382 O ARG A 26 6.052 6.872 0.666 1.00 0.00 O ATOM 383 CB ARG A 26 8.841 7.959 -1.100 1.00 0.00 C ATOM 384 CG ARG A 26 9.893 7.520 -2.104 1.00 0.00 C ATOM 385 CD ARG A 26 10.511 8.711 -2.812 1.00 0.00 C ATOM 386 NE ARG A 26 11.471 8.302 -3.849 1.00 0.00 N ATOM 387 CZ ARG A 26 12.751 8.695 -3.915 1.00 0.00 C ATOM 388 NH1 ARG A 26 13.288 9.432 -2.943 1.00 0.00 N ATOM 389 NH2 ARG A 26 13.502 8.330 -4.943 1.00 0.00 N ATOM 0 H ARG A 26 7.152 6.155 -1.878 1.00 0.00 H new ATOM 0 HA ARG A 26 9.092 6.390 0.325 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.024 8.443 -1.635 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.276 8.708 -0.438 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.672 6.954 -1.593 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.442 6.852 -2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.723 9.312 -3.265 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.015 9.345 -2.082 1.00 0.00 H new ATOM 0 HE ARG A 26 11.136 7.669 -4.575 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.724 9.703 -2.138 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.263 9.725 -3.005 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.106 7.751 -5.683 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.476 8.628 -4.994 1.00 0.00 H new ATOM 403 N GLU A 27 7.531 8.303 1.535 1.00 0.00 N ATOM 404 CA GLU A 27 6.573 8.909 2.455 1.00 0.00 C ATOM 405 C GLU A 27 5.739 9.973 1.728 1.00 0.00 C ATOM 406 O GLU A 27 6.285 10.794 0.994 1.00 0.00 O ATOM 407 CB GLU A 27 7.309 9.565 3.632 1.00 0.00 C ATOM 408 CG GLU A 27 6.393 10.329 4.577 1.00 0.00 C ATOM 409 CD GLU A 27 7.137 11.179 5.569 1.00 0.00 C ATOM 410 OE1 GLU A 27 7.839 12.119 5.143 1.00 0.00 O ATOM 411 OE2 GLU A 27 6.981 10.978 6.774 1.00 0.00 O ATOM 0 H GLU A 27 8.474 8.685 1.602 1.00 0.00 H new ATOM 0 HA GLU A 27 5.915 8.125 2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.836 8.794 4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.064 10.247 3.242 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.727 10.964 3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.765 9.619 5.116 1.00 0.00 H new ATOM 418 N GLY A 28 4.439 9.947 1.926 1.00 0.00 N ATOM 419 CA GLY A 28 3.581 10.955 1.354 1.00 0.00 C ATOM 420 C GLY A 28 3.127 10.622 -0.039 1.00 0.00 C ATOM 421 O GLY A 28 2.834 11.511 -0.827 1.00 0.00 O ATOM 0 H GLY A 28 3.956 9.239 2.478 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.708 11.085 1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.110 11.908 1.339 1.00 0.00 H new ATOM 425 N GLU A 29 3.060 9.364 -0.342 1.00 0.00 N ATOM 426 CA GLU A 29 2.632 8.922 -1.645 1.00 0.00 C ATOM 427 C GLU A 29 1.225 8.360 -1.524 1.00 0.00 C ATOM 428 O GLU A 29 0.838 7.885 -0.448 1.00 0.00 O ATOM 429 CB GLU A 29 3.584 7.844 -2.178 1.00 0.00 C ATOM 430 CG GLU A 29 5.052 8.268 -2.239 1.00 0.00 C ATOM 431 CD GLU A 29 5.319 9.429 -3.174 1.00 0.00 C ATOM 432 OE1 GLU A 29 5.434 9.219 -4.394 1.00 0.00 O ATOM 433 OE2 GLU A 29 5.469 10.583 -2.705 1.00 0.00 O ATOM 0 H GLU A 29 3.299 8.610 0.302 1.00 0.00 H new ATOM 0 HA GLU A 29 2.641 9.760 -2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.500 6.959 -1.547 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.261 7.554 -3.178 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.383 8.538 -1.236 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.653 7.415 -2.554 1.00 0.00 H new ATOM 440 N ILE A 30 0.460 8.442 -2.586 1.00 0.00 N ATOM 441 CA ILE A 30 -0.892 7.908 -2.609 1.00 0.00 C ATOM 442 C ILE A 30 -0.865 6.577 -3.338 1.00 0.00 C ATOM 443 O ILE A 30 -0.404 6.501 -4.476 1.00 0.00 O ATOM 444 CB ILE A 30 -1.886 8.872 -3.333 1.00 0.00 C ATOM 445 CG1 ILE A 30 -1.880 10.275 -2.679 1.00 0.00 C ATOM 446 CG2 ILE A 30 -3.310 8.287 -3.344 1.00 0.00 C ATOM 447 CD1 ILE A 30 -2.334 10.305 -1.229 1.00 0.00 C ATOM 0 H ILE A 30 0.751 8.879 -3.460 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.237 7.789 -1.582 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.551 8.978 -4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.871 10.683 -2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.525 10.934 -3.260 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.983 8.977 -3.853 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.306 7.331 -3.867 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.650 8.139 -2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.296 11.329 -0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.356 9.931 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.676 9.676 -0.629 1.00 0.00 H new ATOM 459 N ILE A 31 -1.338 5.550 -2.698 1.00 0.00 N ATOM 460 CA ILE A 31 -1.313 4.223 -3.266 1.00 0.00 C ATOM 461 C ILE A 31 -2.729 3.794 -3.613 1.00 0.00 C ATOM 462 O ILE A 31 -3.685 4.136 -2.893 1.00 0.00 O ATOM 463 CB ILE A 31 -0.668 3.197 -2.271 1.00 0.00 C ATOM 464 CG1 ILE A 31 0.778 3.599 -1.947 1.00 0.00 C ATOM 465 CG2 ILE A 31 -0.708 1.769 -2.820 1.00 0.00 C ATOM 466 CD1 ILE A 31 1.477 2.655 -0.989 1.00 0.00 C ATOM 0 H ILE A 31 -1.753 5.602 -1.768 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.705 4.243 -4.170 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.258 3.217 -1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.348 3.647 -2.875 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.779 4.602 -1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.251 1.090 -2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.743 1.474 -2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.158 1.725 -3.760 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.493 3.006 -0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.932 2.624 -0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.509 1.655 -1.422 1.00 0.00 H new ATOM 478 N HIS A 32 -2.872 3.067 -4.704 1.00 0.00 N ATOM 479 CA HIS A 32 -4.151 2.544 -5.108 1.00 0.00 C ATOM 480 C HIS A 32 -4.278 1.194 -4.440 1.00 0.00 C ATOM 481 O HIS A 32 -3.593 0.244 -4.822 1.00 0.00 O ATOM 482 CB HIS A 32 -4.232 2.367 -6.646 1.00 0.00 C ATOM 483 CG HIS A 32 -3.915 3.598 -7.468 1.00 0.00 C ATOM 484 ND1 HIS A 32 -3.132 3.576 -8.603 1.00 0.00 N ATOM 485 CD2 HIS A 32 -4.320 4.889 -7.327 1.00 0.00 C ATOM 486 CE1 HIS A 32 -3.082 4.809 -9.102 1.00 0.00 C ATOM 487 NE2 HIS A 32 -3.789 5.654 -8.368 1.00 0.00 N ATOM 0 H HIS A 32 -2.104 2.826 -5.330 1.00 0.00 H new ATOM 0 HA HIS A 32 -4.950 3.228 -4.822 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -3.546 1.572 -6.938 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -5.237 2.031 -6.902 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -2.670 2.755 -8.994 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -4.952 5.263 -6.535 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -2.535 5.085 -9.991 1.00 0.00 H new ATOM 495 N LEU A 33 -5.082 1.125 -3.412 1.00 0.00 N ATOM 496 CA LEU A 33 -5.209 -0.078 -2.622 1.00 0.00 C ATOM 497 C LEU A 33 -5.954 -1.140 -3.418 1.00 0.00 C ATOM 498 O LEU A 33 -7.031 -0.895 -3.953 1.00 0.00 O ATOM 499 CB LEU A 33 -5.894 0.265 -1.276 1.00 0.00 C ATOM 500 CG LEU A 33 -5.966 -0.804 -0.171 1.00 0.00 C ATOM 501 CD1 LEU A 33 -6.389 -0.130 1.120 1.00 0.00 C ATOM 502 CD2 LEU A 33 -6.974 -1.897 -0.508 1.00 0.00 C ATOM 0 H LEU A 33 -5.668 1.898 -3.096 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.228 -0.492 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.381 1.132 -0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.915 0.575 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.984 -1.268 -0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.446 -0.872 1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.659 0.634 1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.366 0.333 0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.996 -2.633 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.964 -1.456 -0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.684 -2.385 -1.438 1.00 0.00 H new ATOM 514 N ILE A 34 -5.362 -2.306 -3.491 1.00 0.00 N ATOM 515 CA ILE A 34 -5.919 -3.400 -4.246 1.00 0.00 C ATOM 516 C ILE A 34 -6.561 -4.410 -3.302 1.00 0.00 C ATOM 517 O ILE A 34 -7.709 -4.801 -3.478 1.00 0.00 O ATOM 518 CB ILE A 34 -4.817 -4.113 -5.097 1.00 0.00 C ATOM 519 CG1 ILE A 34 -4.116 -3.125 -6.053 1.00 0.00 C ATOM 520 CG2 ILE A 34 -5.389 -5.297 -5.878 1.00 0.00 C ATOM 521 CD1 ILE A 34 -5.038 -2.445 -7.052 1.00 0.00 C ATOM 0 H ILE A 34 -4.479 -2.523 -3.028 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.673 -2.995 -4.921 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.073 -4.497 -4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.617 -2.359 -5.460 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.340 -3.659 -6.601 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.595 -5.768 -6.458 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.810 -6.023 -5.182 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.170 -4.945 -6.552 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.458 -1.770 -7.681 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.518 -3.199 -7.676 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.800 -1.878 -6.517 1.00 0.00 H new ATOM 533 N SER A 35 -5.827 -4.821 -2.290 1.00 0.00 N ATOM 534 CA SER A 35 -6.313 -5.831 -1.384 1.00 0.00 C ATOM 535 C SER A 35 -5.843 -5.555 0.046 1.00 0.00 C ATOM 536 O SER A 35 -4.668 -5.269 0.270 1.00 0.00 O ATOM 537 CB SER A 35 -5.797 -7.210 -1.843 1.00 0.00 C ATOM 538 OG SER A 35 -6.103 -7.445 -3.215 1.00 0.00 O ATOM 0 H SER A 35 -4.893 -4.470 -2.077 1.00 0.00 H new ATOM 0 HA SER A 35 -7.403 -5.817 -1.393 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.719 -7.266 -1.694 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.245 -7.991 -1.229 1.00 0.00 H new ATOM 0 HG SER A 35 -5.763 -8.325 -3.480 1.00 0.00 H new ATOM 544 N LYS A 36 -6.762 -5.602 0.996 1.00 0.00 N ATOM 545 CA LYS A 36 -6.411 -5.475 2.413 1.00 0.00 C ATOM 546 C LYS A 36 -6.315 -6.834 3.056 1.00 0.00 C ATOM 547 O LYS A 36 -5.649 -7.020 4.063 1.00 0.00 O ATOM 548 CB LYS A 36 -7.392 -4.582 3.183 1.00 0.00 C ATOM 549 CG LYS A 36 -7.060 -3.112 3.089 1.00 0.00 C ATOM 550 CD LYS A 36 -8.035 -2.220 3.841 1.00 0.00 C ATOM 551 CE LYS A 36 -9.382 -2.149 3.160 1.00 0.00 C ATOM 552 NZ LYS A 36 -10.242 -1.118 3.767 1.00 0.00 N ATOM 0 H LYS A 36 -7.759 -5.727 0.818 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.436 -4.989 2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.399 -4.745 2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.398 -4.880 4.231 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.056 -2.949 3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.046 -2.817 2.040 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.162 -2.597 4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.618 -1.216 3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.244 -1.931 2.101 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.875 -3.119 3.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.061 -0.942 3.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.573 -1.446 4.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.700 -0.238 3.883 1.00 0.00 H new ATOM 566 N GLU A 37 -6.966 -7.786 2.457 1.00 0.00 N ATOM 567 CA GLU A 37 -6.934 -9.119 2.950 1.00 0.00 C ATOM 568 C GLU A 37 -6.129 -9.930 1.966 1.00 0.00 C ATOM 569 O GLU A 37 -6.652 -10.457 0.985 1.00 0.00 O ATOM 570 CB GLU A 37 -8.356 -9.635 3.119 1.00 0.00 C ATOM 571 CG GLU A 37 -8.517 -10.964 3.831 1.00 0.00 C ATOM 572 CD GLU A 37 -9.968 -11.224 4.155 1.00 0.00 C ATOM 573 OE1 GLU A 37 -10.790 -11.331 3.223 1.00 0.00 O ATOM 574 OE2 GLU A 37 -10.328 -11.233 5.356 1.00 0.00 O ATOM 0 H GLU A 37 -7.530 -7.656 1.617 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.466 -9.186 3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.928 -8.885 3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.807 -9.722 2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.130 -11.767 3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.929 -10.964 4.749 1.00 0.00 H new ATOM 581 N THR A 38 -4.842 -9.915 2.174 1.00 0.00 N ATOM 582 CA THR A 38 -3.896 -10.558 1.298 1.00 0.00 C ATOM 583 C THR A 38 -3.702 -12.001 1.690 1.00 0.00 C ATOM 584 O THR A 38 -3.268 -12.840 0.898 1.00 0.00 O ATOM 585 CB THR A 38 -2.578 -9.806 1.399 1.00 0.00 C ATOM 586 OG1 THR A 38 -2.357 -9.509 2.793 1.00 0.00 O ATOM 587 CG2 THR A 38 -2.633 -8.515 0.602 1.00 0.00 C ATOM 0 H THR A 38 -4.411 -9.447 2.971 1.00 0.00 H new ATOM 0 HA THR A 38 -4.267 -10.540 0.273 1.00 0.00 H new ATOM 0 HB THR A 38 -1.768 -10.413 0.994 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.450 -8.545 2.941 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.680 -7.993 0.688 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.829 -8.742 -0.446 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.430 -7.881 0.991 1.00 0.00 H new ATOM 595 N GLY A 39 -4.089 -12.269 2.880 1.00 0.00 N ATOM 596 CA GLY A 39 -3.929 -13.544 3.492 1.00 0.00 C ATOM 597 C GLY A 39 -3.634 -13.313 4.926 1.00 0.00 C ATOM 598 O GLY A 39 -4.199 -13.943 5.804 1.00 0.00 O ATOM 0 H GLY A 39 -4.544 -11.583 3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.834 -14.141 3.378 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.119 -14.098 3.018 1.00 0.00 H new ATOM 602 N GLU A 40 -2.785 -12.355 5.160 1.00 0.00 N ATOM 603 CA GLU A 40 -2.440 -11.949 6.478 1.00 0.00 C ATOM 604 C GLU A 40 -2.805 -10.490 6.625 1.00 0.00 C ATOM 605 O GLU A 40 -2.216 -9.629 5.955 1.00 0.00 O ATOM 606 CB GLU A 40 -0.947 -12.129 6.715 1.00 0.00 C ATOM 607 CG GLU A 40 -0.509 -11.826 8.136 1.00 0.00 C ATOM 608 CD GLU A 40 0.983 -11.855 8.299 1.00 0.00 C ATOM 609 OE1 GLU A 40 1.599 -12.917 8.082 1.00 0.00 O ATOM 610 OE2 GLU A 40 1.573 -10.825 8.681 1.00 0.00 O ATOM 0 H GLU A 40 -2.310 -11.831 4.425 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.977 -12.556 7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.672 -13.155 6.471 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.400 -11.481 6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.883 -10.844 8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.959 -12.552 8.813 1.00 0.00 H new ATOM 617 N ALA A 41 -3.808 -10.216 7.434 1.00 0.00 N ATOM 618 CA ALA A 41 -4.204 -8.852 7.714 1.00 0.00 C ATOM 619 C ALA A 41 -3.063 -8.158 8.424 1.00 0.00 C ATOM 620 O ALA A 41 -2.724 -8.485 9.573 1.00 0.00 O ATOM 621 CB ALA A 41 -5.472 -8.810 8.543 1.00 0.00 C ATOM 0 H ALA A 41 -4.366 -10.924 7.911 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.421 -8.335 6.780 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.745 -7.773 8.738 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.279 -9.302 7.999 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.305 -9.325 9.489 1.00 0.00 H new ATOM 627 N GLY A 42 -2.453 -7.268 7.723 1.00 0.00 N ATOM 628 CA GLY A 42 -1.284 -6.596 8.180 1.00 0.00 C ATOM 629 C GLY A 42 -0.493 -6.206 6.981 1.00 0.00 C ATOM 630 O GLY A 42 0.178 -5.178 6.956 1.00 0.00 O ATOM 0 H GLY A 42 -2.759 -6.979 6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.552 -5.716 8.765 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.698 -7.245 8.831 1.00 0.00 H new ATOM 634 N TRP A 43 -0.581 -7.043 5.975 1.00 0.00 N ATOM 635 CA TRP A 43 -0.006 -6.764 4.699 1.00 0.00 C ATOM 636 C TRP A 43 -1.097 -6.282 3.777 1.00 0.00 C ATOM 637 O TRP A 43 -2.115 -6.955 3.597 1.00 0.00 O ATOM 638 CB TRP A 43 0.666 -8.006 4.091 1.00 0.00 C ATOM 639 CG TRP A 43 1.924 -8.451 4.780 1.00 0.00 C ATOM 640 CD1 TRP A 43 2.028 -9.312 5.828 1.00 0.00 C ATOM 641 CD2 TRP A 43 3.266 -8.065 4.443 1.00 0.00 C ATOM 642 NE1 TRP A 43 3.350 -9.484 6.167 1.00 0.00 N ATOM 643 CE2 TRP A 43 4.127 -8.728 5.332 1.00 0.00 C ATOM 644 CE3 TRP A 43 3.818 -7.223 3.475 1.00 0.00 C ATOM 645 CZ2 TRP A 43 5.511 -8.574 5.282 1.00 0.00 C ATOM 646 CZ3 TRP A 43 5.190 -7.073 3.424 1.00 0.00 C ATOM 647 CH2 TRP A 43 6.022 -7.745 4.322 1.00 0.00 C ATOM 0 H TRP A 43 -1.060 -7.942 6.029 1.00 0.00 H new ATOM 0 HA TRP A 43 0.763 -6.002 4.825 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.048 -8.830 4.104 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.896 -7.800 3.046 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.195 -9.790 6.321 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.696 -10.079 6.920 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.182 -6.698 2.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.157 -9.091 5.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.626 -6.426 2.678 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.091 -7.607 4.257 1.00 0.00 H new ATOM 658 N TRP A 44 -0.901 -5.143 3.220 1.00 0.00 N ATOM 659 CA TRP A 44 -1.813 -4.579 2.282 1.00 0.00 C ATOM 660 C TRP A 44 -1.186 -4.657 0.932 1.00 0.00 C ATOM 661 O TRP A 44 0.035 -4.576 0.803 1.00 0.00 O ATOM 662 CB TRP A 44 -2.113 -3.108 2.600 1.00 0.00 C ATOM 663 CG TRP A 44 -3.067 -2.866 3.730 1.00 0.00 C ATOM 664 CD1 TRP A 44 -3.538 -3.770 4.638 1.00 0.00 C ATOM 665 CD2 TRP A 44 -3.681 -1.614 4.056 1.00 0.00 C ATOM 666 NE1 TRP A 44 -4.412 -3.154 5.496 1.00 0.00 N ATOM 667 CE2 TRP A 44 -4.513 -1.834 5.165 1.00 0.00 C ATOM 668 CE3 TRP A 44 -3.606 -0.327 3.514 1.00 0.00 C ATOM 669 CZ2 TRP A 44 -5.267 -0.820 5.745 1.00 0.00 C ATOM 670 CZ3 TRP A 44 -4.356 0.678 4.091 1.00 0.00 C ATOM 671 CH2 TRP A 44 -5.177 0.424 5.195 1.00 0.00 C ATOM 0 H TRP A 44 -0.085 -4.560 3.405 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.751 -5.132 2.325 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.173 -2.607 2.830 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.515 -2.637 1.703 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.263 -4.814 4.675 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.909 -3.610 6.261 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.974 -0.124 2.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.900 -1.011 6.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.308 1.677 3.683 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.753 1.232 5.621 1.00 0.00 H new ATOM 682 N LYS A 45 -1.982 -4.851 -0.053 1.00 0.00 N ATOM 683 CA LYS A 45 -1.501 -4.896 -1.385 1.00 0.00 C ATOM 684 C LYS A 45 -1.995 -3.664 -2.076 1.00 0.00 C ATOM 685 O LYS A 45 -3.201 -3.363 -2.050 1.00 0.00 O ATOM 686 CB LYS A 45 -2.024 -6.143 -2.085 1.00 0.00 C ATOM 687 CG LYS A 45 -1.529 -6.341 -3.502 1.00 0.00 C ATOM 688 CD LYS A 45 -2.120 -7.599 -4.089 1.00 0.00 C ATOM 689 CE LYS A 45 -1.609 -7.860 -5.489 1.00 0.00 C ATOM 690 NZ LYS A 45 -2.189 -9.087 -6.069 1.00 0.00 N ATOM 0 H LYS A 45 -2.989 -4.984 0.041 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.412 -4.935 -1.405 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.746 -7.016 -1.494 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.113 -6.102 -2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.803 -5.482 -4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.441 -6.404 -3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.877 -8.447 -3.449 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.207 -7.515 -4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.848 -7.009 -6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.523 -7.947 -5.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.237 -8.993 -7.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.593 -9.903 -5.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.147 -9.231 -5.690 1.00 0.00 H new ATOM 704 N GLY A 46 -1.109 -2.978 -2.692 1.00 0.00 N ATOM 705 CA GLY A 46 -1.455 -1.778 -3.346 1.00 0.00 C ATOM 706 C GLY A 46 -0.653 -1.599 -4.573 1.00 0.00 C ATOM 707 O GLY A 46 0.409 -2.220 -4.722 1.00 0.00 O ATOM 0 H GLY A 46 -0.124 -3.233 -2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.515 -1.789 -3.598 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.295 -0.934 -2.675 1.00 0.00 H new ATOM 711 N GLU A 47 -1.147 -0.788 -5.438 1.00 0.00 N ATOM 712 CA GLU A 47 -0.514 -0.503 -6.670 1.00 0.00 C ATOM 713 C GLU A 47 -0.009 0.921 -6.656 1.00 0.00 C ATOM 714 O GLU A 47 -0.729 1.856 -6.256 1.00 0.00 O ATOM 715 CB GLU A 47 -1.490 -0.810 -7.826 1.00 0.00 C ATOM 716 CG GLU A 47 -0.989 -0.541 -9.243 1.00 0.00 C ATOM 717 CD GLU A 47 -1.134 0.902 -9.652 1.00 0.00 C ATOM 718 OE1 GLU A 47 -2.285 1.335 -9.886 1.00 0.00 O ATOM 719 OE2 GLU A 47 -0.123 1.619 -9.722 1.00 0.00 O ATOM 0 H GLU A 47 -2.028 -0.292 -5.302 1.00 0.00 H new ATOM 0 HA GLU A 47 0.359 -1.137 -6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.774 -1.860 -7.760 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.396 -0.224 -7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.060 -0.830 -9.313 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.540 -1.169 -9.943 1.00 0.00 H new ATOM 726 N LEU A 48 1.227 1.066 -7.024 1.00 0.00 N ATOM 727 CA LEU A 48 1.868 2.333 -7.094 1.00 0.00 C ATOM 728 C LEU A 48 2.827 2.316 -8.269 1.00 0.00 C ATOM 729 O LEU A 48 3.634 1.381 -8.410 1.00 0.00 O ATOM 730 CB LEU A 48 2.628 2.603 -5.807 1.00 0.00 C ATOM 731 CG LEU A 48 3.250 3.986 -5.669 1.00 0.00 C ATOM 732 CD1 LEU A 48 2.183 5.057 -5.678 1.00 0.00 C ATOM 733 CD2 LEU A 48 4.078 4.070 -4.412 1.00 0.00 C ATOM 0 H LEU A 48 1.828 0.285 -7.289 1.00 0.00 H new ATOM 0 HA LEU A 48 1.127 3.121 -7.227 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.948 2.448 -4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.421 1.861 -5.715 1.00 0.00 H new ATOM 0 HG LEU A 48 3.905 4.153 -6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.650 6.037 -5.578 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.630 5.012 -6.617 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.498 4.895 -4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.515 5.065 -4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.445 3.879 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.874 3.326 -4.450 1.00 0.00 H new ATOM 745 N ASN A 49 2.695 3.312 -9.137 1.00 0.00 N ATOM 746 CA ASN A 49 3.527 3.492 -10.347 1.00 0.00 C ATOM 747 C ASN A 49 3.308 2.368 -11.345 1.00 0.00 C ATOM 748 O ASN A 49 4.115 2.174 -12.273 1.00 0.00 O ATOM 749 CB ASN A 49 5.037 3.634 -10.028 1.00 0.00 C ATOM 750 CG ASN A 49 5.372 4.861 -9.208 1.00 0.00 C ATOM 751 OD1 ASN A 49 5.519 4.693 -7.922 1.00 0.00 O flip ATOM 752 ND2 ASN A 49 5.574 5.953 -9.752 1.00 0.00 N flip ATOM 0 H ASN A 49 1.991 4.042 -9.027 1.00 0.00 H new ATOM 0 HA ASN A 49 3.201 4.431 -10.794 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.371 2.746 -9.491 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.595 3.669 -10.963 1.00 0.00 H new ATOM 0 HD21 ASN A 49 5.450 6.051 -10.760 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.864 6.755 -9.193 1.00 0.00 H new ATOM 759 N GLY A 50 2.207 1.654 -11.182 1.00 0.00 N ATOM 760 CA GLY A 50 1.891 0.558 -12.044 1.00 0.00 C ATOM 761 C GLY A 50 2.171 -0.782 -11.398 1.00 0.00 C ATOM 762 O GLY A 50 1.670 -1.812 -11.861 1.00 0.00 O ATOM 0 H GLY A 50 1.519 1.827 -10.449 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.839 0.611 -12.324 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.470 0.643 -12.963 1.00 0.00 H new ATOM 766 N LYS A 51 2.932 -0.780 -10.315 1.00 0.00 N ATOM 767 CA LYS A 51 3.337 -2.012 -9.677 1.00 0.00 C ATOM 768 C LYS A 51 2.487 -2.280 -8.484 1.00 0.00 C ATOM 769 O LYS A 51 2.255 -1.397 -7.669 1.00 0.00 O ATOM 770 CB LYS A 51 4.819 -2.013 -9.241 1.00 0.00 C ATOM 771 CG LYS A 51 5.859 -1.975 -10.358 1.00 0.00 C ATOM 772 CD LYS A 51 5.877 -0.644 -11.088 1.00 0.00 C ATOM 773 CE LYS A 51 6.964 -0.590 -12.132 1.00 0.00 C ATOM 774 NZ LYS A 51 6.934 0.684 -12.863 1.00 0.00 N ATOM 0 H LYS A 51 3.280 0.065 -9.862 1.00 0.00 H new ATOM 0 HA LYS A 51 3.211 -2.795 -10.425 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.984 -1.153 -8.592 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.997 -2.905 -8.640 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.846 -2.169 -9.938 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.653 -2.774 -11.070 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.910 -0.477 -11.562 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.023 0.162 -10.369 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.936 -0.716 -11.656 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.842 -1.417 -12.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.018 0.501 -13.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.036 1.173 -12.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.727 1.281 -12.552 1.00 0.00 H new ATOM 788 N GLU A 52 2.038 -3.483 -8.385 1.00 0.00 N ATOM 789 CA GLU A 52 1.236 -3.905 -7.286 1.00 0.00 C ATOM 790 C GLU A 52 2.023 -4.881 -6.449 1.00 0.00 C ATOM 791 O GLU A 52 2.508 -5.912 -6.951 1.00 0.00 O ATOM 792 CB GLU A 52 -0.117 -4.491 -7.745 1.00 0.00 C ATOM 793 CG GLU A 52 -0.016 -5.619 -8.762 1.00 0.00 C ATOM 794 CD GLU A 52 -1.355 -6.215 -9.102 1.00 0.00 C ATOM 795 OE1 GLU A 52 -2.127 -5.588 -9.858 1.00 0.00 O ATOM 796 OE2 GLU A 52 -1.665 -7.323 -8.624 1.00 0.00 O ATOM 0 H GLU A 52 2.219 -4.213 -9.074 1.00 0.00 H new ATOM 0 HA GLU A 52 0.988 -3.037 -6.676 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.653 -4.858 -6.870 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.717 -3.688 -8.173 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.451 -5.242 -9.672 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.636 -6.400 -8.369 1.00 0.00 H new ATOM 803 N GLY A 53 2.193 -4.550 -5.217 1.00 0.00 N ATOM 804 CA GLY A 53 2.927 -5.387 -4.327 1.00 0.00 C ATOM 805 C GLY A 53 2.343 -5.322 -2.962 1.00 0.00 C ATOM 806 O GLY A 53 1.274 -4.726 -2.774 1.00 0.00 O ATOM 0 H GLY A 53 1.830 -3.695 -4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.912 -6.415 -4.688 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.971 -5.074 -4.299 1.00 0.00 H new ATOM 810 N VAL A 54 3.023 -5.873 -2.009 1.00 0.00 N ATOM 811 CA VAL A 54 2.520 -5.908 -0.660 1.00 0.00 C ATOM 812 C VAL A 54 3.397 -5.095 0.253 1.00 0.00 C ATOM 813 O VAL A 54 4.597 -4.912 -0.014 1.00 0.00 O ATOM 814 CB VAL A 54 2.349 -7.354 -0.106 1.00 0.00 C ATOM 815 CG1 VAL A 54 1.252 -8.093 -0.857 1.00 0.00 C ATOM 816 CG2 VAL A 54 3.658 -8.135 -0.182 1.00 0.00 C ATOM 0 H VAL A 54 3.936 -6.310 -2.134 1.00 0.00 H new ATOM 0 HA VAL A 54 1.523 -5.468 -0.691 1.00 0.00 H new ATOM 0 HB VAL A 54 2.062 -7.273 0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.150 -9.100 -0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.309 -7.559 -0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.510 -8.150 -1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.506 -9.140 0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.984 -8.198 -1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.420 -7.626 0.408 1.00 0.00 H new ATOM 826 N PHE A 55 2.791 -4.567 1.278 1.00 0.00 N ATOM 827 CA PHE A 55 3.458 -3.743 2.240 1.00 0.00 C ATOM 828 C PHE A 55 2.686 -3.784 3.554 1.00 0.00 C ATOM 829 O PHE A 55 1.484 -3.990 3.538 1.00 0.00 O ATOM 830 CB PHE A 55 3.542 -2.300 1.704 1.00 0.00 C ATOM 831 CG PHE A 55 2.205 -1.606 1.458 1.00 0.00 C ATOM 832 CD1 PHE A 55 1.577 -1.703 0.226 1.00 0.00 C ATOM 833 CD2 PHE A 55 1.596 -0.851 2.455 1.00 0.00 C ATOM 834 CE1 PHE A 55 0.375 -1.067 -0.005 1.00 0.00 C ATOM 835 CE2 PHE A 55 0.396 -0.212 2.226 1.00 0.00 C ATOM 836 CZ PHE A 55 -0.217 -0.322 0.996 1.00 0.00 C ATOM 0 H PHE A 55 1.798 -4.701 1.470 1.00 0.00 H new ATOM 0 HA PHE A 55 4.469 -4.111 2.414 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.116 -1.702 2.412 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.102 -2.311 0.769 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.034 -2.283 -0.562 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.070 -0.764 3.422 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.104 -1.152 -0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.063 0.374 3.009 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.159 0.174 0.815 1.00 0.00 H new ATOM 846 N PRO A 56 3.349 -3.654 4.702 1.00 0.00 N ATOM 847 CA PRO A 56 2.662 -3.596 5.995 1.00 0.00 C ATOM 848 C PRO A 56 1.819 -2.315 6.126 1.00 0.00 C ATOM 849 O PRO A 56 2.273 -1.209 5.785 1.00 0.00 O ATOM 850 CB PRO A 56 3.808 -3.602 7.013 1.00 0.00 C ATOM 851 CG PRO A 56 4.970 -4.132 6.247 1.00 0.00 C ATOM 852 CD PRO A 56 4.801 -3.599 4.865 1.00 0.00 C ATOM 0 HA PRO A 56 1.963 -4.421 6.134 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.006 -2.601 7.396 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.575 -4.232 7.872 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.913 -3.803 6.684 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.980 -5.222 6.250 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.186 -2.584 4.768 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.319 -4.209 4.125 1.00 0.00 H new ATOM 860 N ASP A 57 0.607 -2.472 6.653 1.00 0.00 N ATOM 861 CA ASP A 57 -0.396 -1.378 6.782 1.00 0.00 C ATOM 862 C ASP A 57 0.072 -0.254 7.702 1.00 0.00 C ATOM 863 O ASP A 57 -0.485 0.843 7.695 1.00 0.00 O ATOM 864 CB ASP A 57 -1.748 -1.910 7.316 1.00 0.00 C ATOM 865 CG ASP A 57 -1.757 -2.266 8.807 1.00 0.00 C ATOM 866 OD1 ASP A 57 -1.944 -1.359 9.645 1.00 0.00 O ATOM 867 OD2 ASP A 57 -1.628 -3.462 9.160 1.00 0.00 O ATOM 0 H ASP A 57 0.274 -3.367 7.011 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.520 -0.979 5.775 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.516 -1.159 7.132 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.025 -2.796 6.744 1.00 0.00 H new ATOM 872 N ASN A 58 1.122 -0.516 8.445 1.00 0.00 N ATOM 873 CA ASN A 58 1.628 0.399 9.463 1.00 0.00 C ATOM 874 C ASN A 58 2.293 1.611 8.852 1.00 0.00 C ATOM 875 O ASN A 58 2.613 2.571 9.545 1.00 0.00 O ATOM 876 CB ASN A 58 2.636 -0.316 10.367 1.00 0.00 C ATOM 877 CG ASN A 58 2.087 -1.585 10.962 1.00 0.00 C ATOM 878 OD1 ASN A 58 2.221 -2.660 10.379 1.00 0.00 O ATOM 879 ND2 ASN A 58 1.473 -1.491 12.103 1.00 0.00 N ATOM 0 H ASN A 58 1.661 -1.378 8.365 1.00 0.00 H new ATOM 0 HA ASN A 58 0.770 0.732 10.047 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.533 -0.548 9.792 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.937 0.356 11.170 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.084 -2.325 12.543 1.00 0.00 H new ATOM 0 HD22 ASN A 58 1.380 -0.583 12.559 1.00 0.00 H new ATOM 886 N PHE A 59 2.514 1.575 7.568 1.00 0.00 N ATOM 887 CA PHE A 59 3.200 2.651 6.925 1.00 0.00 C ATOM 888 C PHE A 59 2.264 3.485 6.083 1.00 0.00 C ATOM 889 O PHE A 59 2.703 4.376 5.367 1.00 0.00 O ATOM 890 CB PHE A 59 4.350 2.112 6.086 1.00 0.00 C ATOM 891 CG PHE A 59 5.288 1.249 6.872 1.00 0.00 C ATOM 892 CD1 PHE A 59 5.946 1.750 7.981 1.00 0.00 C ATOM 893 CD2 PHE A 59 5.502 -0.065 6.513 1.00 0.00 C ATOM 894 CE1 PHE A 59 6.795 0.962 8.710 1.00 0.00 C ATOM 895 CE2 PHE A 59 6.356 -0.857 7.242 1.00 0.00 C ATOM 896 CZ PHE A 59 7.001 -0.343 8.342 1.00 0.00 C ATOM 0 H PHE A 59 2.229 0.814 6.951 1.00 0.00 H new ATOM 0 HA PHE A 59 3.605 3.303 7.699 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.947 1.537 5.252 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.904 2.947 5.658 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.788 2.777 8.276 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.994 -0.475 5.652 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.302 1.367 9.573 1.00 0.00 H new ATOM 0 HE2 PHE A 59 6.521 -1.884 6.951 1.00 0.00 H new ATOM 0 HZ PHE A 59 7.670 -0.967 8.916 1.00 0.00 H new ATOM 906 N ALA A 60 0.976 3.234 6.192 1.00 0.00 N ATOM 907 CA ALA A 60 0.012 3.958 5.398 1.00 0.00 C ATOM 908 C ALA A 60 -1.259 4.233 6.183 1.00 0.00 C ATOM 909 O ALA A 60 -1.572 3.529 7.143 1.00 0.00 O ATOM 910 CB ALA A 60 -0.305 3.185 4.123 1.00 0.00 C ATOM 0 H ALA A 60 0.576 2.537 6.820 1.00 0.00 H new ATOM 0 HA ALA A 60 0.450 4.920 5.130 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.033 3.741 3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.608 3.051 3.542 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.716 2.209 4.382 1.00 0.00 H new ATOM 916 N VAL A 61 -1.951 5.275 5.797 1.00 0.00 N ATOM 917 CA VAL A 61 -3.236 5.631 6.366 1.00 0.00 C ATOM 918 C VAL A 61 -4.256 5.720 5.230 1.00 0.00 C ATOM 919 O VAL A 61 -3.969 6.319 4.184 1.00 0.00 O ATOM 920 CB VAL A 61 -3.175 6.980 7.177 1.00 0.00 C ATOM 921 CG1 VAL A 61 -2.679 8.147 6.323 1.00 0.00 C ATOM 922 CG2 VAL A 61 -4.529 7.314 7.792 1.00 0.00 C ATOM 0 H VAL A 61 -1.636 5.914 5.067 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.533 4.862 7.079 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.453 6.829 7.980 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.654 9.055 6.926 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.676 7.928 5.955 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.352 8.291 5.478 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.456 8.250 8.346 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.272 7.417 7.001 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.828 6.514 8.469 1.00 0.00 H new ATOM 932 N GLN A 62 -5.403 5.094 5.394 1.00 0.00 N ATOM 933 CA GLN A 62 -6.400 5.096 4.344 1.00 0.00 C ATOM 934 C GLN A 62 -7.098 6.452 4.329 1.00 0.00 C ATOM 935 O GLN A 62 -7.564 6.940 5.366 1.00 0.00 O ATOM 936 CB GLN A 62 -7.418 3.962 4.533 1.00 0.00 C ATOM 937 CG GLN A 62 -8.053 3.481 3.227 1.00 0.00 C ATOM 938 CD GLN A 62 -9.118 2.419 3.443 1.00 0.00 C ATOM 939 OE1 GLN A 62 -8.816 1.226 3.526 1.00 0.00 O ATOM 940 NE2 GLN A 62 -10.361 2.818 3.432 1.00 0.00 N ATOM 0 H GLN A 62 -5.666 4.582 6.236 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.907 4.926 3.387 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.925 3.120 5.018 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.205 4.301 5.206 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.495 4.332 2.709 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.275 3.081 2.576 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.577 3.812 3.362 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.116 2.135 3.493 1.00 0.00 H new ATOM 949 N ILE A 63 -7.133 7.059 3.182 1.00 0.00 N ATOM 950 CA ILE A 63 -7.721 8.372 3.005 1.00 0.00 C ATOM 951 C ILE A 63 -9.178 8.190 2.653 1.00 0.00 C ATOM 952 O ILE A 63 -10.065 8.793 3.245 1.00 0.00 O ATOM 953 CB ILE A 63 -7.028 9.132 1.836 1.00 0.00 C ATOM 954 CG1 ILE A 63 -5.501 9.136 2.010 1.00 0.00 C ATOM 955 CG2 ILE A 63 -7.560 10.562 1.710 1.00 0.00 C ATOM 956 CD1 ILE A 63 -5.021 9.767 3.303 1.00 0.00 C ATOM 0 H ILE A 63 -6.751 6.659 2.325 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.599 8.946 3.924 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.265 8.603 0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.139 8.109 1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.053 9.669 1.171 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.057 11.066 0.885 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.633 10.536 1.519 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.370 11.104 2.637 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.932 9.728 3.345 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.349 10.806 3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.436 9.221 4.150 1.00 0.00 H new ATOM 968 N SER A 64 -9.394 7.351 1.697 1.00 0.00 N ATOM 969 CA SER A 64 -10.679 7.039 1.209 1.00 0.00 C ATOM 970 C SER A 64 -10.871 5.563 1.433 1.00 0.00 C ATOM 971 O SER A 64 -11.734 5.166 2.259 1.00 0.00 O ATOM 972 CB SER A 64 -10.736 7.372 -0.278 1.00 0.00 C ATOM 973 OG SER A 64 -10.307 8.718 -0.509 1.00 0.00 O ATOM 974 OXT SER A 64 -10.081 4.806 0.875 1.00 0.00 O ATOM 0 H SER A 64 -8.645 6.848 1.221 1.00 0.00 H new ATOM 0 HA SER A 64 -11.462 7.606 1.712 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.103 6.682 -0.835 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.753 7.240 -0.647 1.00 0.00 H new ATOM 0 HG SER A 64 -10.348 8.914 -1.468 1.00 0.00 H new