USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 491 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 54:sc= 0.035 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 31:sc= 0.215 USER MOD Single : A 8 ASN : amide:sc= -0.108 K(o=-0.11,f=-2.3!) USER MOD Single : A 10 MET CE :methyl -132:sc= 0 (180deg=-0.0529) USER MOD Single : A 14 GLN : amide:sc= -0.243 K(o=-0.24,f=-1.2) USER MOD Single : A 16 GLN : amide:sc= -0.59 K(o=-0.59,f=-1.5) USER MOD Single : A 17 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.39) USER MOD Single : A 28 TYR OH : rot 165:sc= 0 USER MOD Single : A 31 THR OG1 : rot 87:sc= 1.19 USER MOD Single : A 35 GLN : amide:sc= -0.196 K(o=-0.2,f=-1.4!) USER MOD Single : A 37 MET CE :methyl -154:sc= -5.39! (180deg=-7.37!) USER MOD Single : A 38 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.009) USER MOD Single : A 39 ASN : amide:sc= -1.42 X(o=-1.4,f=-1.5) USER MOD Single : A 46 LYS NZ :NH3+ -167:sc= -0.0558 (180deg=-0.28) USER MOD Single : A 50 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.3!) USER MOD Single : A 52 LYS NZ :NH3+ 127:sc= -0.171 (180deg=-0.692) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.73 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.658 -3.944 -7.720 1.00 0.00 N ATOM 2 CA GLY A 1 -30.975 -3.123 -6.738 1.00 0.00 C ATOM 3 C GLY A 1 -30.817 -3.824 -5.404 1.00 0.00 C ATOM 4 O GLY A 1 -29.983 -4.718 -5.259 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.741 -3.419 -8.614 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.116 -4.817 -7.880 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.608 -4.185 -7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.991 -2.849 -7.119 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.531 -2.196 -6.594 1.00 0.00 H new ATOM 8 N SER A 2 -31.619 -3.418 -4.424 1.00 0.00 N ATOM 9 CA SER A 2 -31.561 -4.011 -3.093 1.00 0.00 C ATOM 10 C SER A 2 -30.117 -4.131 -2.615 1.00 0.00 C ATOM 11 O SER A 2 -29.749 -5.102 -1.954 1.00 0.00 O ATOM 12 CB SER A 2 -32.226 -5.389 -3.096 1.00 0.00 C ATOM 13 OG SER A 2 -31.927 -6.097 -4.286 1.00 0.00 O ATOM 0 H SER A 2 -32.316 -2.681 -4.527 1.00 0.00 H new ATOM 0 HA SER A 2 -32.100 -3.358 -2.407 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.886 -5.962 -2.233 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.306 -5.275 -2.998 1.00 0.00 H new ATOM 0 HG SER A 2 -30.955 -6.135 -4.409 1.00 0.00 H new ATOM 19 N SER A 3 -29.304 -3.136 -2.954 1.00 0.00 N ATOM 20 CA SER A 3 -27.899 -3.131 -2.563 1.00 0.00 C ATOM 21 C SER A 3 -27.737 -2.648 -1.125 1.00 0.00 C ATOM 22 O SER A 3 -27.085 -3.299 -0.309 1.00 0.00 O ATOM 23 CB SER A 3 -27.088 -2.239 -3.506 1.00 0.00 C ATOM 24 OG SER A 3 -25.747 -2.686 -3.603 1.00 0.00 O ATOM 0 H SER A 3 -29.594 -2.323 -3.498 1.00 0.00 H new ATOM 0 HA SER A 3 -27.526 -4.153 -2.630 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.547 -2.238 -4.495 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.107 -1.211 -3.145 1.00 0.00 H new ATOM 0 HG SER A 3 -25.250 -2.101 -4.212 1.00 0.00 H new ATOM 30 N GLY A 4 -28.336 -1.501 -0.821 1.00 0.00 N ATOM 31 CA GLY A 4 -28.247 -0.949 0.519 1.00 0.00 C ATOM 32 C GLY A 4 -27.177 0.117 0.636 1.00 0.00 C ATOM 33 O GLY A 4 -25.999 -0.193 0.819 1.00 0.00 O ATOM 0 H GLY A 4 -28.882 -0.944 -1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -29.211 -0.524 0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.035 -1.751 1.226 1.00 0.00 H new ATOM 37 N SER A 5 -27.585 1.378 0.530 1.00 0.00 N ATOM 38 CA SER A 5 -26.651 2.494 0.620 1.00 0.00 C ATOM 39 C SER A 5 -26.959 3.363 1.836 1.00 0.00 C ATOM 40 O SER A 5 -27.817 4.244 1.782 1.00 0.00 O ATOM 41 CB SER A 5 -26.710 3.340 -0.653 1.00 0.00 C ATOM 42 OG SER A 5 -26.265 2.600 -1.777 1.00 0.00 O ATOM 0 H SER A 5 -28.556 1.652 0.382 1.00 0.00 H new ATOM 0 HA SER A 5 -25.646 2.087 0.731 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.732 3.682 -0.820 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.092 4.230 -0.531 1.00 0.00 H new ATOM 0 HG SER A 5 -26.314 3.162 -2.579 1.00 0.00 H new ATOM 48 N SER A 6 -26.252 3.108 2.932 1.00 0.00 N ATOM 49 CA SER A 6 -26.451 3.863 4.163 1.00 0.00 C ATOM 50 C SER A 6 -25.120 4.366 4.714 1.00 0.00 C ATOM 51 O SER A 6 -24.177 3.595 4.890 1.00 0.00 O ATOM 52 CB SER A 6 -27.154 2.996 5.210 1.00 0.00 C ATOM 53 OG SER A 6 -26.365 1.870 5.553 1.00 0.00 O ATOM 0 H SER A 6 -25.536 2.384 2.992 1.00 0.00 H new ATOM 0 HA SER A 6 -27.078 4.725 3.934 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.354 3.589 6.102 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.118 2.665 4.824 1.00 0.00 H new ATOM 0 HG SER A 6 -25.416 2.099 5.471 1.00 0.00 H new ATOM 59 N GLY A 7 -25.051 5.666 4.983 1.00 0.00 N ATOM 60 CA GLY A 7 -23.832 6.251 5.510 1.00 0.00 C ATOM 61 C GLY A 7 -24.020 7.692 5.943 1.00 0.00 C ATOM 62 O GLY A 7 -23.982 8.604 5.119 1.00 0.00 O ATOM 0 H GLY A 7 -25.818 6.325 4.845 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.488 5.662 6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.051 6.202 4.751 1.00 0.00 H new ATOM 66 N ASN A 8 -24.226 7.896 7.240 1.00 0.00 N ATOM 67 CA ASN A 8 -24.423 9.236 7.781 1.00 0.00 C ATOM 68 C ASN A 8 -23.179 9.711 8.525 1.00 0.00 C ATOM 69 O ASN A 8 -22.876 10.903 8.551 1.00 0.00 O ATOM 70 CB ASN A 8 -25.631 9.258 8.719 1.00 0.00 C ATOM 71 CG ASN A 8 -26.930 9.521 7.983 1.00 0.00 C ATOM 72 OD1 ASN A 8 -26.936 9.748 6.773 1.00 0.00 O ATOM 73 ND2 ASN A 8 -28.040 9.491 8.712 1.00 0.00 N ATOM 0 H ASN A 8 -24.261 7.151 7.936 1.00 0.00 H new ATOM 0 HA ASN A 8 -24.607 9.913 6.947 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -25.699 8.304 9.241 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -25.484 10.027 9.478 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -28.944 9.660 8.271 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -27.988 9.299 9.712 1.00 0.00 H new ATOM 80 N GLY A 9 -22.460 8.769 9.128 1.00 0.00 N ATOM 81 CA GLY A 9 -21.257 9.110 9.864 1.00 0.00 C ATOM 82 C GLY A 9 -20.002 8.951 9.029 1.00 0.00 C ATOM 83 O GLY A 9 -20.075 8.654 7.837 1.00 0.00 O ATOM 0 H GLY A 9 -22.690 7.775 9.120 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -21.329 10.140 10.214 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -21.184 8.477 10.748 1.00 0.00 H new ATOM 87 N MET A 10 -18.847 9.150 9.655 1.00 0.00 N ATOM 88 CA MET A 10 -17.570 9.027 8.961 1.00 0.00 C ATOM 89 C MET A 10 -16.854 7.742 9.365 1.00 0.00 C ATOM 90 O MET A 10 -16.248 7.070 8.531 1.00 0.00 O ATOM 91 CB MET A 10 -16.683 10.236 9.263 1.00 0.00 C ATOM 92 CG MET A 10 -16.870 11.386 8.286 1.00 0.00 C ATOM 93 SD MET A 10 -18.412 12.281 8.553 1.00 0.00 S ATOM 94 CE MET A 10 -17.981 13.281 9.974 1.00 0.00 C ATOM 0 H MET A 10 -18.769 9.397 10.642 1.00 0.00 H new ATOM 0 HA MET A 10 -17.768 8.990 7.890 1.00 0.00 H new ATOM 0 HB2 MET A 10 -16.895 10.589 10.272 1.00 0.00 H new ATOM 0 HB3 MET A 10 -15.639 9.923 9.248 1.00 0.00 H new ATOM 0 HG2 MET A 10 -16.032 12.077 8.380 1.00 0.00 H new ATOM 0 HG3 MET A 10 -16.851 10.999 7.267 1.00 0.00 H new ATOM 0 HE1 MET A 10 -18.766 13.202 10.726 1.00 0.00 H new ATOM 0 HE2 MET A 10 -17.039 12.929 10.395 1.00 0.00 H new ATOM 0 HE3 MET A 10 -17.875 14.322 9.668 1.00 0.00 H new ATOM 104 N ASP A 11 -16.927 7.408 10.649 1.00 0.00 N ATOM 105 CA ASP A 11 -16.286 6.203 11.163 1.00 0.00 C ATOM 106 C ASP A 11 -16.945 4.951 10.593 1.00 0.00 C ATOM 107 O ASP A 11 -16.299 3.917 10.432 1.00 0.00 O ATOM 108 CB ASP A 11 -16.350 6.178 12.691 1.00 0.00 C ATOM 109 CG ASP A 11 -15.496 7.258 13.324 1.00 0.00 C ATOM 110 OD1 ASP A 11 -15.878 8.444 13.237 1.00 0.00 O ATOM 111 OD2 ASP A 11 -14.446 6.918 13.907 1.00 0.00 O ATOM 0 H ASP A 11 -17.423 7.955 11.353 1.00 0.00 H new ATOM 0 HA ASP A 11 -15.242 6.215 10.851 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -17.385 6.303 13.010 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -16.022 5.202 13.050 1.00 0.00 H new ATOM 116 N GLU A 12 -18.236 5.053 10.291 1.00 0.00 N ATOM 117 CA GLU A 12 -18.983 3.928 9.740 1.00 0.00 C ATOM 118 C GLU A 12 -18.322 3.407 8.467 1.00 0.00 C ATOM 119 O GLU A 12 -18.442 2.230 8.131 1.00 0.00 O ATOM 120 CB GLU A 12 -20.427 4.340 9.447 1.00 0.00 C ATOM 121 CG GLU A 12 -21.287 4.474 10.692 1.00 0.00 C ATOM 122 CD GLU A 12 -22.642 5.090 10.402 1.00 0.00 C ATOM 123 OE1 GLU A 12 -23.395 4.510 9.592 1.00 0.00 O ATOM 124 OE2 GLU A 12 -22.948 6.152 10.984 1.00 0.00 O ATOM 0 H GLU A 12 -18.786 5.903 10.419 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.985 3.128 10.481 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -20.423 5.291 8.914 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -20.878 3.604 8.782 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -21.428 3.490 11.139 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -20.764 5.086 11.426 1.00 0.00 H new ATOM 131 N GLU A 13 -17.624 4.294 7.764 1.00 0.00 N ATOM 132 CA GLU A 13 -16.946 3.924 6.527 1.00 0.00 C ATOM 133 C GLU A 13 -15.631 3.206 6.822 1.00 0.00 C ATOM 134 O GLU A 13 -15.226 2.307 6.086 1.00 0.00 O ATOM 135 CB GLU A 13 -16.682 5.166 5.673 1.00 0.00 C ATOM 136 CG GLU A 13 -16.255 4.846 4.250 1.00 0.00 C ATOM 137 CD GLU A 13 -17.432 4.550 3.341 1.00 0.00 C ATOM 138 OE1 GLU A 13 -18.464 4.063 3.848 1.00 0.00 O ATOM 139 OE2 GLU A 13 -17.321 4.805 2.124 1.00 0.00 O ATOM 0 H GLU A 13 -17.513 5.273 8.030 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.595 3.244 5.975 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.585 5.776 5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.907 5.767 6.150 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.691 5.687 3.846 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.584 3.987 4.260 1.00 0.00 H new ATOM 146 N GLN A 14 -14.972 3.612 7.902 1.00 0.00 N ATOM 147 CA GLN A 14 -13.703 3.009 8.293 1.00 0.00 C ATOM 148 C GLN A 14 -13.866 1.514 8.547 1.00 0.00 C ATOM 149 O GLN A 14 -12.941 0.733 8.326 1.00 0.00 O ATOM 150 CB GLN A 14 -13.153 3.694 9.545 1.00 0.00 C ATOM 151 CG GLN A 14 -12.637 5.102 9.291 1.00 0.00 C ATOM 152 CD GLN A 14 -11.574 5.522 10.287 1.00 0.00 C ATOM 153 OE1 GLN A 14 -10.437 5.813 9.913 1.00 0.00 O ATOM 154 NE2 GLN A 14 -11.938 5.556 11.563 1.00 0.00 N ATOM 0 H GLN A 14 -15.295 4.355 8.521 1.00 0.00 H new ATOM 0 HA GLN A 14 -12.997 3.145 7.473 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -13.937 3.734 10.301 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -12.345 3.088 9.955 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.227 5.158 8.283 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.470 5.804 9.336 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -12.891 5.307 11.828 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.265 5.831 12.278 1.00 0.00 H new ATOM 163 N ARG A 15 -15.048 1.124 9.013 1.00 0.00 N ATOM 164 CA ARG A 15 -15.331 -0.278 9.298 1.00 0.00 C ATOM 165 C ARG A 15 -15.048 -1.149 8.079 1.00 0.00 C ATOM 166 O ARG A 15 -14.374 -2.174 8.180 1.00 0.00 O ATOM 167 CB ARG A 15 -16.789 -0.447 9.732 1.00 0.00 C ATOM 168 CG ARG A 15 -17.006 -0.256 11.224 1.00 0.00 C ATOM 169 CD ARG A 15 -18.467 -0.443 11.603 1.00 0.00 C ATOM 170 NE ARG A 15 -18.971 -1.755 11.208 1.00 0.00 N ATOM 171 CZ ARG A 15 -20.230 -2.142 11.382 1.00 0.00 C ATOM 172 NH1 ARG A 15 -21.108 -1.321 11.941 1.00 0.00 N ATOM 173 NH2 ARG A 15 -20.613 -3.352 10.996 1.00 0.00 N ATOM 0 H ARG A 15 -15.824 1.758 9.201 1.00 0.00 H new ATOM 0 HA ARG A 15 -14.677 -0.597 10.110 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.406 0.269 9.189 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -17.131 -1.442 9.448 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -16.392 -0.967 11.776 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -16.678 0.742 11.516 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -18.581 -0.320 12.680 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -19.067 0.334 11.129 1.00 0.00 H new ATOM 0 HE ARG A 15 -18.321 -2.411 10.775 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -20.818 -0.390 12.239 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -22.074 -1.621 12.073 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -19.941 -3.986 10.565 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -21.580 -3.648 11.130 1.00 0.00 H new ATOM 187 N GLN A 16 -15.567 -0.735 6.928 1.00 0.00 N ATOM 188 CA GLN A 16 -15.371 -1.479 5.689 1.00 0.00 C ATOM 189 C GLN A 16 -13.910 -1.434 5.253 1.00 0.00 C ATOM 190 O GLN A 16 -13.362 -2.429 4.778 1.00 0.00 O ATOM 191 CB GLN A 16 -16.263 -0.914 4.583 1.00 0.00 C ATOM 192 CG GLN A 16 -17.749 -1.068 4.861 1.00 0.00 C ATOM 193 CD GLN A 16 -18.118 -2.473 5.297 1.00 0.00 C ATOM 194 OE1 GLN A 16 -17.505 -3.450 4.868 1.00 0.00 O ATOM 195 NE2 GLN A 16 -19.126 -2.581 6.156 1.00 0.00 N ATOM 0 H GLN A 16 -16.127 0.112 6.827 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.645 -2.518 5.871 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -16.035 0.143 4.448 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -16.024 -1.414 3.644 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -18.045 -0.361 5.636 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -18.311 -0.811 3.964 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -19.607 -1.744 6.486 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -19.419 -3.501 6.485 1.00 0.00 H new ATOM 204 N LYS A 17 -13.284 -0.274 5.418 1.00 0.00 N ATOM 205 CA LYS A 17 -11.886 -0.098 5.042 1.00 0.00 C ATOM 206 C LYS A 17 -11.015 -1.185 5.664 1.00 0.00 C ATOM 207 O LYS A 17 -10.087 -1.688 5.030 1.00 0.00 O ATOM 208 CB LYS A 17 -11.388 1.281 5.480 1.00 0.00 C ATOM 209 CG LYS A 17 -11.608 2.366 4.440 1.00 0.00 C ATOM 210 CD LYS A 17 -11.780 3.731 5.085 1.00 0.00 C ATOM 211 CE LYS A 17 -11.736 4.845 4.051 1.00 0.00 C ATOM 212 NZ LYS A 17 -12.925 4.818 3.155 1.00 0.00 N ATOM 0 H LYS A 17 -13.723 0.559 5.810 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.815 -0.175 3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.895 1.565 6.402 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.324 1.218 5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.761 2.391 3.754 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.491 2.129 3.847 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.730 3.765 5.618 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.994 3.887 5.824 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.685 5.809 4.558 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.829 4.750 3.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.612 4.758 2.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.513 3.991 3.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.481 5.686 3.290 1.00 0.00 H new ATOM 226 N ARG A 18 -11.321 -1.544 6.907 1.00 0.00 N ATOM 227 CA ARG A 18 -10.566 -2.571 7.613 1.00 0.00 C ATOM 228 C ARG A 18 -10.465 -3.844 6.777 1.00 0.00 C ATOM 229 O ARG A 18 -9.390 -4.429 6.645 1.00 0.00 O ATOM 230 CB ARG A 18 -11.223 -2.883 8.959 1.00 0.00 C ATOM 231 CG ARG A 18 -11.191 -1.720 9.936 1.00 0.00 C ATOM 232 CD ARG A 18 -9.767 -1.266 10.215 1.00 0.00 C ATOM 233 NE ARG A 18 -8.933 -2.355 10.717 1.00 0.00 N ATOM 234 CZ ARG A 18 -7.619 -2.256 10.886 1.00 0.00 C ATOM 235 NH1 ARG A 18 -6.993 -1.125 10.595 1.00 0.00 N ATOM 236 NH2 ARG A 18 -6.930 -3.292 11.348 1.00 0.00 N ATOM 0 H ARG A 18 -12.087 -1.138 7.445 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.559 -2.191 7.787 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.259 -3.175 8.789 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.720 -3.739 9.409 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.767 -0.888 9.531 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.670 -2.015 10.870 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.329 -0.866 9.301 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.781 -0.455 10.943 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.384 -3.240 10.951 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.520 -0.327 10.240 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.984 -1.052 10.726 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.409 -4.164 11.573 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.921 -3.216 11.478 1.00 0.00 H new ATOM 250 N ARG A 19 -11.593 -4.267 6.215 1.00 0.00 N ATOM 251 CA ARG A 19 -11.633 -5.470 5.393 1.00 0.00 C ATOM 252 C ARG A 19 -10.745 -5.317 4.162 1.00 0.00 C ATOM 253 O ARG A 19 -10.258 -6.304 3.609 1.00 0.00 O ATOM 254 CB ARG A 19 -13.069 -5.774 4.964 1.00 0.00 C ATOM 255 CG ARG A 19 -14.025 -5.968 6.130 1.00 0.00 C ATOM 256 CD ARG A 19 -13.985 -7.396 6.651 1.00 0.00 C ATOM 257 NE ARG A 19 -15.107 -7.685 7.541 1.00 0.00 N ATOM 258 CZ ARG A 19 -15.198 -7.224 8.783 1.00 0.00 C ATOM 259 NH1 ARG A 19 -14.239 -6.455 9.280 1.00 0.00 N ATOM 260 NH2 ARG A 19 -16.250 -7.531 9.531 1.00 0.00 N ATOM 0 H ARG A 19 -12.491 -3.794 6.314 1.00 0.00 H new ATOM 0 HA ARG A 19 -11.257 -6.300 5.991 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.433 -4.959 4.339 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.073 -6.674 4.349 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -13.765 -5.279 6.934 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -15.039 -5.723 5.815 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -14.001 -8.089 5.810 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -13.048 -7.562 7.183 1.00 0.00 H new ATOM 0 HE ARG A 19 -15.862 -8.273 7.189 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.429 -6.216 8.708 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.311 -6.102 10.234 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -16.990 -8.122 9.152 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -16.319 -7.176 10.485 1.00 0.00 H new ATOM 274 N ARG A 20 -10.538 -4.075 3.738 1.00 0.00 N ATOM 275 CA ARG A 20 -9.710 -3.793 2.571 1.00 0.00 C ATOM 276 C ARG A 20 -8.236 -4.034 2.880 1.00 0.00 C ATOM 277 O ARG A 20 -7.475 -4.472 2.017 1.00 0.00 O ATOM 278 CB ARG A 20 -9.916 -2.349 2.111 1.00 0.00 C ATOM 279 CG ARG A 20 -11.377 -1.937 2.030 1.00 0.00 C ATOM 280 CD ARG A 20 -12.125 -2.741 0.978 1.00 0.00 C ATOM 281 NE ARG A 20 -11.796 -2.308 -0.377 1.00 0.00 N ATOM 282 CZ ARG A 20 -12.345 -1.251 -0.965 1.00 0.00 C ATOM 283 NH1 ARG A 20 -13.245 -0.522 -0.319 1.00 0.00 N ATOM 284 NH2 ARG A 20 -11.994 -0.921 -2.201 1.00 0.00 N ATOM 0 H ARG A 20 -10.932 -3.247 4.185 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.011 -4.469 1.771 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.397 -1.681 2.798 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.456 -2.220 1.131 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.850 -2.078 3.002 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.444 -0.875 1.794 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.883 -3.798 1.090 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.198 -2.641 1.140 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.107 -2.847 -0.901 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.517 -0.772 0.632 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.665 0.289 -0.773 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.302 -1.479 -2.701 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.416 -0.109 -2.652 1.00 0.00 H new ATOM 298 N ILE A 21 -7.840 -3.746 4.115 1.00 0.00 N ATOM 299 CA ILE A 21 -6.457 -3.933 4.537 1.00 0.00 C ATOM 300 C ILE A 21 -6.174 -5.396 4.861 1.00 0.00 C ATOM 301 O ILE A 21 -5.141 -5.938 4.470 1.00 0.00 O ATOM 302 CB ILE A 21 -6.124 -3.072 5.770 1.00 0.00 C ATOM 303 CG1 ILE A 21 -6.407 -1.596 5.481 1.00 0.00 C ATOM 304 CG2 ILE A 21 -4.671 -3.269 6.177 1.00 0.00 C ATOM 305 CD1 ILE A 21 -6.425 -0.730 6.721 1.00 0.00 C ATOM 0 H ILE A 21 -8.457 -3.382 4.841 1.00 0.00 H new ATOM 0 HA ILE A 21 -5.828 -3.620 3.704 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.759 -3.388 6.598 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.650 -1.217 4.794 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.368 -1.511 4.974 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.451 -2.654 7.050 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.500 -4.318 6.420 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.020 -2.976 5.353 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.631 0.303 6.440 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.201 -1.083 7.400 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.456 -0.785 7.217 1.00 0.00 H new ATOM 317 N GLU A 22 -7.100 -6.028 5.575 1.00 0.00 N ATOM 318 CA GLU A 22 -6.949 -7.429 5.949 1.00 0.00 C ATOM 319 C GLU A 22 -6.640 -8.289 4.727 1.00 0.00 C ATOM 320 O GLU A 22 -5.580 -8.911 4.644 1.00 0.00 O ATOM 321 CB GLU A 22 -8.220 -7.937 6.634 1.00 0.00 C ATOM 322 CG GLU A 22 -8.339 -7.512 8.088 1.00 0.00 C ATOM 323 CD GLU A 22 -7.692 -8.499 9.039 1.00 0.00 C ATOM 324 OE1 GLU A 22 -6.449 -8.625 9.008 1.00 0.00 O ATOM 325 OE2 GLU A 22 -8.426 -9.146 9.815 1.00 0.00 O ATOM 0 H GLU A 22 -7.961 -5.593 5.906 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.114 -7.504 6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.089 -7.573 6.085 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.242 -9.025 6.579 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.876 -6.533 8.216 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.392 -7.402 8.345 1.00 0.00 H new ATOM 332 N VAL A 23 -7.572 -8.320 3.780 1.00 0.00 N ATOM 333 CA VAL A 23 -7.400 -9.102 2.562 1.00 0.00 C ATOM 334 C VAL A 23 -6.067 -8.789 1.892 1.00 0.00 C ATOM 335 O VAL A 23 -5.304 -9.693 1.552 1.00 0.00 O ATOM 336 CB VAL A 23 -8.540 -8.839 1.560 1.00 0.00 C ATOM 337 CG1 VAL A 23 -8.348 -9.672 0.302 1.00 0.00 C ATOM 338 CG2 VAL A 23 -9.889 -9.128 2.200 1.00 0.00 C ATOM 0 H VAL A 23 -8.455 -7.812 3.833 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.419 -10.152 2.855 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.516 -7.787 1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.163 -9.473 -0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.399 -9.411 -0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.344 -10.730 0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -10.683 -8.937 1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.927 -10.171 2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.025 -8.483 3.068 1.00 0.00 H new ATOM 348 N ALA A 24 -5.791 -7.502 1.707 1.00 0.00 N ATOM 349 CA ALA A 24 -4.549 -7.069 1.080 1.00 0.00 C ATOM 350 C ALA A 24 -3.339 -7.685 1.775 1.00 0.00 C ATOM 351 O ALA A 24 -2.469 -8.269 1.129 1.00 0.00 O ATOM 352 CB ALA A 24 -4.451 -5.551 1.094 1.00 0.00 C ATOM 0 H ALA A 24 -6.412 -6.741 1.983 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.555 -7.412 0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.518 -5.242 0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.292 -5.127 0.546 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.472 -5.195 2.124 1.00 0.00 H new ATOM 358 N LEU A 25 -3.291 -7.551 3.096 1.00 0.00 N ATOM 359 CA LEU A 25 -2.187 -8.094 3.880 1.00 0.00 C ATOM 360 C LEU A 25 -2.021 -9.589 3.625 1.00 0.00 C ATOM 361 O LEU A 25 -0.925 -10.058 3.318 1.00 0.00 O ATOM 362 CB LEU A 25 -2.422 -7.843 5.371 1.00 0.00 C ATOM 363 CG LEU A 25 -1.940 -6.495 5.908 1.00 0.00 C ATOM 364 CD1 LEU A 25 -2.287 -6.354 7.382 1.00 0.00 C ATOM 365 CD2 LEU A 25 -0.442 -6.340 5.694 1.00 0.00 C ATOM 0 H LEU A 25 -4.003 -7.071 3.646 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.272 -7.588 3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.490 -7.930 5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.927 -8.634 5.935 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.449 -5.703 5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.937 -5.389 7.748 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.368 -6.420 7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.806 -7.152 7.947 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.117 -5.375 6.082 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.085 -7.138 6.218 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.219 -6.396 4.629 1.00 0.00 H new ATOM 377 N ILE A 26 -3.116 -10.330 3.751 1.00 0.00 N ATOM 378 CA ILE A 26 -3.092 -11.771 3.530 1.00 0.00 C ATOM 379 C ILE A 26 -2.459 -12.111 2.185 1.00 0.00 C ATOM 380 O ILE A 26 -1.477 -12.849 2.120 1.00 0.00 O ATOM 381 CB ILE A 26 -4.509 -12.372 3.585 1.00 0.00 C ATOM 382 CG1 ILE A 26 -5.159 -12.080 4.939 1.00 0.00 C ATOM 383 CG2 ILE A 26 -4.459 -13.871 3.327 1.00 0.00 C ATOM 384 CD1 ILE A 26 -6.660 -12.267 4.941 1.00 0.00 C ATOM 0 H ILE A 26 -4.031 -9.957 4.005 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.491 -12.203 4.330 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.114 -11.909 2.806 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.719 -12.733 5.693 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.928 -11.055 5.230 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.468 -14.281 3.369 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.033 -14.056 2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.840 -14.350 4.086 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.053 -12.043 5.933 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.111 -11.595 4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.899 -13.298 4.681 1.00 0.00 H new ATOM 396 N GLU A 27 -3.028 -11.565 1.115 1.00 0.00 N ATOM 397 CA GLU A 27 -2.518 -11.810 -0.229 1.00 0.00 C ATOM 398 C GLU A 27 -1.020 -11.528 -0.302 1.00 0.00 C ATOM 399 O GLU A 27 -0.254 -12.322 -0.849 1.00 0.00 O ATOM 400 CB GLU A 27 -3.262 -10.943 -1.247 1.00 0.00 C ATOM 401 CG GLU A 27 -4.582 -11.539 -1.705 1.00 0.00 C ATOM 402 CD GLU A 27 -4.401 -12.638 -2.733 1.00 0.00 C ATOM 403 OE1 GLU A 27 -3.628 -12.433 -3.692 1.00 0.00 O ATOM 404 OE2 GLU A 27 -5.032 -13.705 -2.578 1.00 0.00 O ATOM 0 H GLU A 27 -3.841 -10.951 1.153 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.684 -12.861 -0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.448 -9.962 -0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.622 -10.788 -2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.115 -11.938 -0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.205 -10.751 -2.127 1.00 0.00 H new ATOM 411 N TYR A 28 -0.611 -10.393 0.252 1.00 0.00 N ATOM 412 CA TYR A 28 0.795 -10.003 0.247 1.00 0.00 C ATOM 413 C TYR A 28 1.650 -11.043 0.964 1.00 0.00 C ATOM 414 O TYR A 28 2.658 -11.509 0.431 1.00 0.00 O ATOM 415 CB TYR A 28 0.969 -8.637 0.912 1.00 0.00 C ATOM 416 CG TYR A 28 2.278 -7.961 0.572 1.00 0.00 C ATOM 417 CD1 TYR A 28 2.732 -7.903 -0.740 1.00 0.00 C ATOM 418 CD2 TYR A 28 3.061 -7.380 1.562 1.00 0.00 C ATOM 419 CE1 TYR A 28 3.928 -7.287 -1.055 1.00 0.00 C ATOM 420 CE2 TYR A 28 4.257 -6.761 1.256 1.00 0.00 C ATOM 421 CZ TYR A 28 4.686 -6.717 -0.054 1.00 0.00 C ATOM 422 OH TYR A 28 5.878 -6.102 -0.364 1.00 0.00 O ATOM 0 H TYR A 28 -1.232 -9.726 0.710 1.00 0.00 H new ATOM 0 HA TYR A 28 1.125 -9.939 -0.790 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.146 -7.988 0.612 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.902 -8.757 1.993 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.140 -8.347 -1.527 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.728 -7.413 2.589 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.267 -7.252 -2.080 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.853 -6.314 2.038 1.00 0.00 H new ATOM 0 HH TYR A 28 6.169 -5.552 0.393 1.00 0.00 H new ATOM 432 N ARG A 29 1.240 -11.404 2.176 1.00 0.00 N ATOM 433 CA ARG A 29 1.968 -12.388 2.968 1.00 0.00 C ATOM 434 C ARG A 29 2.213 -13.660 2.162 1.00 0.00 C ATOM 435 O ARG A 29 3.347 -14.123 2.044 1.00 0.00 O ATOM 436 CB ARG A 29 1.194 -12.721 4.244 1.00 0.00 C ATOM 437 CG ARG A 29 2.087 -13.042 5.432 1.00 0.00 C ATOM 438 CD ARG A 29 1.269 -13.367 6.672 1.00 0.00 C ATOM 439 NE ARG A 29 2.099 -13.890 7.754 1.00 0.00 N ATOM 440 CZ ARG A 29 1.678 -14.016 9.007 1.00 0.00 C ATOM 441 NH1 ARG A 29 0.444 -13.660 9.335 1.00 0.00 N ATOM 442 NH2 ARG A 29 2.493 -14.500 9.936 1.00 0.00 N ATOM 0 H ARG A 29 0.407 -11.029 2.631 1.00 0.00 H new ATOM 0 HA ARG A 29 2.932 -11.958 3.239 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.552 -11.878 4.500 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.541 -13.572 4.051 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.730 -13.887 5.187 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.740 -12.194 5.638 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.754 -12.469 7.012 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.501 -14.098 6.418 1.00 0.00 H new ATOM 0 HE ARG A 29 3.054 -14.174 7.535 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.186 -13.288 8.624 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.124 -13.758 10.298 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.443 -14.775 9.688 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.169 -14.597 10.898 1.00 0.00 H new ATOM 456 N GLU A 30 1.141 -14.221 1.610 1.00 0.00 N ATOM 457 CA GLU A 30 1.240 -15.440 0.817 1.00 0.00 C ATOM 458 C GLU A 30 2.229 -15.263 -0.332 1.00 0.00 C ATOM 459 O GLU A 30 3.139 -16.073 -0.515 1.00 0.00 O ATOM 460 CB GLU A 30 -0.133 -15.830 0.266 1.00 0.00 C ATOM 461 CG GLU A 30 -1.113 -16.278 1.337 1.00 0.00 C ATOM 462 CD GLU A 30 -0.636 -17.505 2.089 1.00 0.00 C ATOM 463 OE1 GLU A 30 0.158 -17.348 3.039 1.00 0.00 O ATOM 464 OE2 GLU A 30 -1.057 -18.624 1.725 1.00 0.00 O ATOM 0 H GLU A 30 0.195 -13.850 1.698 1.00 0.00 H new ATOM 0 HA GLU A 30 1.602 -16.237 1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.556 -14.979 -0.269 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.009 -16.633 -0.460 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.271 -15.463 2.043 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.077 -16.492 0.875 1.00 0.00 H new ATOM 471 N THR A 31 2.044 -14.198 -1.106 1.00 0.00 N ATOM 472 CA THR A 31 2.917 -13.914 -2.238 1.00 0.00 C ATOM 473 C THR A 31 4.377 -13.854 -1.804 1.00 0.00 C ATOM 474 O THR A 31 5.269 -14.296 -2.529 1.00 0.00 O ATOM 475 CB THR A 31 2.540 -12.585 -2.918 1.00 0.00 C ATOM 476 OG1 THR A 31 1.118 -12.491 -3.057 1.00 0.00 O ATOM 477 CG2 THR A 31 3.196 -12.472 -4.286 1.00 0.00 C ATOM 0 H THR A 31 1.297 -13.518 -0.969 1.00 0.00 H new ATOM 0 HA THR A 31 2.786 -14.728 -2.951 1.00 0.00 H new ATOM 0 HB THR A 31 2.898 -11.768 -2.292 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.734 -12.107 -2.241 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.915 -11.525 -4.747 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.279 -12.514 -4.175 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.864 -13.296 -4.918 1.00 0.00 H new ATOM 485 N LEU A 32 4.615 -13.305 -0.618 1.00 0.00 N ATOM 486 CA LEU A 32 5.969 -13.188 -0.087 1.00 0.00 C ATOM 487 C LEU A 32 6.557 -14.563 0.212 1.00 0.00 C ATOM 488 O LEU A 32 7.687 -14.863 -0.174 1.00 0.00 O ATOM 489 CB LEU A 32 5.968 -12.334 1.182 1.00 0.00 C ATOM 490 CG LEU A 32 5.765 -10.832 0.980 1.00 0.00 C ATOM 491 CD1 LEU A 32 5.797 -10.105 2.315 1.00 0.00 C ATOM 492 CD2 LEU A 32 6.823 -10.273 0.040 1.00 0.00 C ATOM 0 H LEU A 32 3.888 -12.934 -0.006 1.00 0.00 H new ATOM 0 HA LEU A 32 6.589 -12.705 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.182 -12.701 1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.915 -12.486 1.699 1.00 0.00 H new ATOM 0 HG LEU A 32 4.786 -10.674 0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.651 -9.037 2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.002 -10.486 2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.761 -10.270 2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.663 -9.203 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.813 -10.442 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.752 -10.773 -0.926 1.00 0.00 H new ATOM 504 N GLU A 33 5.782 -15.396 0.900 1.00 0.00 N ATOM 505 CA GLU A 33 6.227 -16.740 1.250 1.00 0.00 C ATOM 506 C GLU A 33 6.550 -17.549 -0.003 1.00 0.00 C ATOM 507 O GLU A 33 7.509 -18.319 -0.027 1.00 0.00 O ATOM 508 CB GLU A 33 5.155 -17.459 2.072 1.00 0.00 C ATOM 509 CG GLU A 33 5.257 -17.198 3.565 1.00 0.00 C ATOM 510 CD GLU A 33 4.208 -17.949 4.361 1.00 0.00 C ATOM 511 OE1 GLU A 33 3.064 -17.455 4.450 1.00 0.00 O ATOM 512 OE2 GLU A 33 4.530 -19.031 4.896 1.00 0.00 O ATOM 0 H GLU A 33 4.844 -15.164 1.226 1.00 0.00 H new ATOM 0 HA GLU A 33 7.134 -16.650 1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.171 -17.146 1.723 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.230 -18.532 1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.248 -17.487 3.914 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.153 -16.129 3.751 1.00 0.00 H new ATOM 519 N GLU A 34 5.741 -17.368 -1.043 1.00 0.00 N ATOM 520 CA GLU A 34 5.940 -18.082 -2.298 1.00 0.00 C ATOM 521 C GLU A 34 7.038 -17.425 -3.130 1.00 0.00 C ATOM 522 O GLU A 34 7.667 -18.072 -3.966 1.00 0.00 O ATOM 523 CB GLU A 34 4.636 -18.125 -3.098 1.00 0.00 C ATOM 524 CG GLU A 34 3.630 -19.134 -2.568 1.00 0.00 C ATOM 525 CD GLU A 34 4.007 -20.564 -2.902 1.00 0.00 C ATOM 526 OE1 GLU A 34 5.050 -20.766 -3.559 1.00 0.00 O ATOM 527 OE2 GLU A 34 3.259 -21.482 -2.506 1.00 0.00 O ATOM 0 H GLU A 34 4.942 -16.733 -1.041 1.00 0.00 H new ATOM 0 HA GLU A 34 6.247 -19.101 -2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.182 -17.134 -3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.864 -18.363 -4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.549 -19.027 -1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.647 -18.915 -2.985 1.00 0.00 H new ATOM 534 N GLN A 35 7.260 -16.136 -2.893 1.00 0.00 N ATOM 535 CA GLN A 35 8.280 -15.391 -3.621 1.00 0.00 C ATOM 536 C GLN A 35 9.679 -15.828 -3.198 1.00 0.00 C ATOM 537 O GLN A 35 10.672 -15.452 -3.819 1.00 0.00 O ATOM 538 CB GLN A 35 8.109 -13.889 -3.387 1.00 0.00 C ATOM 539 CG GLN A 35 7.382 -13.177 -4.516 1.00 0.00 C ATOM 540 CD GLN A 35 7.911 -11.777 -4.759 1.00 0.00 C ATOM 541 OE1 GLN A 35 9.093 -11.502 -4.551 1.00 0.00 O ATOM 542 NE2 GLN A 35 7.035 -10.881 -5.200 1.00 0.00 N ATOM 0 H GLN A 35 6.748 -15.587 -2.203 1.00 0.00 H new ATOM 0 HA GLN A 35 8.159 -15.602 -4.684 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.560 -13.735 -2.458 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.092 -13.436 -3.256 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.478 -13.762 -5.431 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.319 -13.124 -4.282 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.065 -11.152 -5.359 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.333 -9.922 -5.380 1.00 0.00 H new ATOM 551 N GLY A 36 9.748 -16.625 -2.136 1.00 0.00 N ATOM 552 CA GLY A 36 11.030 -17.099 -1.647 1.00 0.00 C ATOM 553 C GLY A 36 11.333 -16.611 -0.244 1.00 0.00 C ATOM 554 O GLY A 36 12.348 -16.982 0.343 1.00 0.00 O ATOM 0 H GLY A 36 8.940 -16.951 -1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.039 -18.189 -1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.818 -16.766 -2.322 1.00 0.00 H new ATOM 558 N MET A 37 10.449 -15.776 0.293 1.00 0.00 N ATOM 559 CA MET A 37 10.628 -15.236 1.636 1.00 0.00 C ATOM 560 C MET A 37 10.455 -16.327 2.688 1.00 0.00 C ATOM 561 O MET A 37 9.358 -16.852 2.879 1.00 0.00 O ATOM 562 CB MET A 37 9.631 -14.104 1.890 1.00 0.00 C ATOM 563 CG MET A 37 9.676 -13.007 0.839 1.00 0.00 C ATOM 564 SD MET A 37 10.965 -11.789 1.160 1.00 0.00 S ATOM 565 CE MET A 37 10.085 -10.633 2.207 1.00 0.00 C ATOM 0 H MET A 37 9.603 -15.459 -0.180 1.00 0.00 H new ATOM 0 HA MET A 37 11.641 -14.842 1.710 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.624 -14.519 1.927 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.832 -13.667 2.868 1.00 0.00 H new ATOM 0 HG2 MET A 37 9.841 -13.455 -0.141 1.00 0.00 H new ATOM 0 HG3 MET A 37 8.709 -12.505 0.802 1.00 0.00 H new ATOM 0 HE1 MET A 37 10.538 -9.645 2.119 1.00 0.00 H new ATOM 0 HE2 MET A 37 9.041 -10.583 1.897 1.00 0.00 H new ATOM 0 HE3 MET A 37 10.140 -10.966 3.243 1.00 0.00 H new ATOM 575 N LYS A 38 11.545 -16.665 3.368 1.00 0.00 N ATOM 576 CA LYS A 38 11.515 -17.693 4.402 1.00 0.00 C ATOM 577 C LYS A 38 11.926 -17.118 5.753 1.00 0.00 C ATOM 578 O LYS A 38 11.784 -17.772 6.785 1.00 0.00 O ATOM 579 CB LYS A 38 12.442 -18.852 4.025 1.00 0.00 C ATOM 580 CG LYS A 38 13.891 -18.436 3.840 1.00 0.00 C ATOM 581 CD LYS A 38 14.844 -19.568 4.185 1.00 0.00 C ATOM 582 CE LYS A 38 16.286 -19.085 4.238 1.00 0.00 C ATOM 583 NZ LYS A 38 16.766 -18.622 2.907 1.00 0.00 N ATOM 0 H LYS A 38 12.461 -16.242 3.222 1.00 0.00 H new ATOM 0 HA LYS A 38 10.493 -18.064 4.481 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.388 -19.616 4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.083 -19.308 3.102 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.052 -18.125 2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.106 -17.573 4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.567 -19.998 5.148 1.00 0.00 H new ATOM 0 HD3 LYS A 38 14.752 -20.362 3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 38 16.370 -18.271 4.958 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.926 -19.892 4.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.767 -18.349 2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.663 -19.391 2.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.204 -17.802 2.601 1.00 0.00 H new ATOM 597 N ASN A 39 12.435 -15.890 5.739 1.00 0.00 N ATOM 598 CA ASN A 39 12.866 -15.227 6.964 1.00 0.00 C ATOM 599 C ASN A 39 11.750 -14.354 7.531 1.00 0.00 C ATOM 600 O ASN A 39 10.944 -13.780 6.798 1.00 0.00 O ATOM 601 CB ASN A 39 14.109 -14.376 6.698 1.00 0.00 C ATOM 602 CG ASN A 39 15.264 -14.738 7.613 1.00 0.00 C ATOM 603 OD1 ASN A 39 15.665 -15.899 7.694 1.00 0.00 O ATOM 604 ND2 ASN A 39 15.803 -13.742 8.307 1.00 0.00 N ATOM 0 H ASN A 39 12.559 -15.334 4.893 1.00 0.00 H new ATOM 0 HA ASN A 39 13.111 -15.996 7.697 1.00 0.00 H new ATOM 0 HB2 ASN A 39 14.418 -14.503 5.660 1.00 0.00 H new ATOM 0 HB3 ASN A 39 13.860 -13.323 6.830 1.00 0.00 H new ATOM 0 HD21 ASN A 39 16.582 -13.924 8.939 1.00 0.00 H new ATOM 0 HD22 ASN A 39 15.438 -12.795 8.208 1.00 0.00 H new ATOM 611 N PRO A 40 11.702 -14.249 8.867 1.00 0.00 N ATOM 612 CA PRO A 40 10.691 -13.447 9.562 1.00 0.00 C ATOM 613 C PRO A 40 10.895 -11.950 9.355 1.00 0.00 C ATOM 614 O PRO A 40 9.957 -11.228 9.019 1.00 0.00 O ATOM 615 CB PRO A 40 10.896 -13.815 11.034 1.00 0.00 C ATOM 616 CG PRO A 40 12.317 -14.252 11.120 1.00 0.00 C ATOM 617 CD PRO A 40 12.631 -14.905 9.802 1.00 0.00 C ATOM 0 HA PRO A 40 9.686 -13.651 9.193 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.704 -12.963 11.686 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.218 -14.611 11.341 1.00 0.00 H new ATOM 0 HG2 PRO A 40 12.976 -13.403 11.301 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.461 -14.949 11.945 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.670 -14.748 9.513 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.470 -15.982 9.839 1.00 0.00 H new ATOM 625 N GLU A 41 12.127 -11.492 9.556 1.00 0.00 N ATOM 626 CA GLU A 41 12.452 -10.080 9.391 1.00 0.00 C ATOM 627 C GLU A 41 12.029 -9.582 8.012 1.00 0.00 C ATOM 628 O GLU A 41 11.382 -8.542 7.889 1.00 0.00 O ATOM 629 CB GLU A 41 13.953 -9.853 9.588 1.00 0.00 C ATOM 630 CG GLU A 41 14.489 -10.428 10.888 1.00 0.00 C ATOM 631 CD GLU A 41 15.958 -10.119 11.101 1.00 0.00 C ATOM 632 OE1 GLU A 41 16.307 -8.922 11.176 1.00 0.00 O ATOM 633 OE2 GLU A 41 16.759 -11.072 11.191 1.00 0.00 O ATOM 0 H GLU A 41 12.915 -12.077 9.833 1.00 0.00 H new ATOM 0 HA GLU A 41 11.904 -9.517 10.146 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.492 -10.300 8.753 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.157 -8.782 9.563 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.913 -10.028 11.722 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.345 -11.508 10.890 1.00 0.00 H new ATOM 640 N GLU A 42 12.399 -10.332 6.979 1.00 0.00 N ATOM 641 CA GLU A 42 12.059 -9.965 5.609 1.00 0.00 C ATOM 642 C GLU A 42 10.553 -9.766 5.457 1.00 0.00 C ATOM 643 O GLU A 42 10.089 -8.663 5.168 1.00 0.00 O ATOM 644 CB GLU A 42 12.542 -11.041 4.634 1.00 0.00 C ATOM 645 CG GLU A 42 13.174 -10.479 3.372 1.00 0.00 C ATOM 646 CD GLU A 42 14.541 -9.873 3.623 1.00 0.00 C ATOM 647 OE1 GLU A 42 15.032 -9.970 4.767 1.00 0.00 O ATOM 648 OE2 GLU A 42 15.119 -9.301 2.675 1.00 0.00 O ATOM 0 H GLU A 42 12.934 -11.196 7.064 1.00 0.00 H new ATOM 0 HA GLU A 42 12.558 -9.024 5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.267 -11.679 5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.699 -11.674 4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 42 13.264 -11.273 2.631 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.517 -9.720 2.948 1.00 0.00 H new ATOM 655 N ILE A 43 9.797 -10.840 5.654 1.00 0.00 N ATOM 656 CA ILE A 43 8.345 -10.784 5.540 1.00 0.00 C ATOM 657 C ILE A 43 7.768 -9.679 6.418 1.00 0.00 C ATOM 658 O ILE A 43 7.057 -8.798 5.935 1.00 0.00 O ATOM 659 CB ILE A 43 7.697 -12.125 5.930 1.00 0.00 C ATOM 660 CG1 ILE A 43 8.257 -13.257 5.066 1.00 0.00 C ATOM 661 CG2 ILE A 43 6.184 -12.043 5.790 1.00 0.00 C ATOM 662 CD1 ILE A 43 7.643 -14.607 5.367 1.00 0.00 C ATOM 0 H ILE A 43 10.166 -11.760 5.894 1.00 0.00 H new ATOM 0 HA ILE A 43 8.118 -10.571 4.495 1.00 0.00 H new ATOM 0 HB ILE A 43 7.935 -12.337 6.972 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.091 -13.018 4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.335 -13.316 5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.740 -12.999 6.069 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.800 -11.260 6.444 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.926 -11.812 4.757 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.087 -15.362 4.718 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.831 -14.868 6.408 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.568 -14.565 5.192 1.00 0.00 H new ATOM 674 N GLU A 44 8.080 -9.732 7.709 1.00 0.00 N ATOM 675 CA GLU A 44 7.592 -8.734 8.654 1.00 0.00 C ATOM 676 C GLU A 44 7.888 -7.322 8.156 1.00 0.00 C ATOM 677 O GLU A 44 7.090 -6.405 8.348 1.00 0.00 O ATOM 678 CB GLU A 44 8.230 -8.946 10.028 1.00 0.00 C ATOM 679 CG GLU A 44 7.677 -10.146 10.778 1.00 0.00 C ATOM 680 CD GLU A 44 6.301 -9.886 11.361 1.00 0.00 C ATOM 681 OE1 GLU A 44 5.301 -10.128 10.653 1.00 0.00 O ATOM 682 OE2 GLU A 44 6.226 -9.442 12.525 1.00 0.00 O ATOM 0 H GLU A 44 8.668 -10.455 8.124 1.00 0.00 H new ATOM 0 HA GLU A 44 6.512 -8.851 8.741 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.306 -9.070 9.904 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.080 -8.051 10.631 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.626 -11.000 10.103 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.363 -10.415 11.581 1.00 0.00 H new ATOM 689 N ARG A 45 9.041 -7.157 7.515 1.00 0.00 N ATOM 690 CA ARG A 45 9.444 -5.858 6.991 1.00 0.00 C ATOM 691 C ARG A 45 8.512 -5.412 5.868 1.00 0.00 C ATOM 692 O ARG A 45 7.852 -4.377 5.968 1.00 0.00 O ATOM 693 CB ARG A 45 10.885 -5.915 6.480 1.00 0.00 C ATOM 694 CG ARG A 45 11.448 -4.557 6.092 1.00 0.00 C ATOM 695 CD ARG A 45 12.952 -4.496 6.308 1.00 0.00 C ATOM 696 NE ARG A 45 13.574 -3.434 5.522 1.00 0.00 N ATOM 697 CZ ARG A 45 13.518 -2.148 5.849 1.00 0.00 C ATOM 698 NH1 ARG A 45 12.870 -1.766 6.941 1.00 0.00 N ATOM 699 NH2 ARG A 45 14.110 -1.240 5.083 1.00 0.00 N ATOM 0 H ARG A 45 9.712 -7.907 7.346 1.00 0.00 H new ATOM 0 HA ARG A 45 9.382 -5.132 7.802 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.518 -6.354 7.251 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.929 -6.578 5.616 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.221 -4.353 5.046 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.963 -3.779 6.681 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.160 -4.334 7.366 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.396 -5.454 6.039 1.00 0.00 H new ATOM 0 HE ARG A 45 14.079 -3.694 4.675 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.413 -2.460 7.532 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.828 -0.778 7.190 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.609 -1.529 4.242 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.066 -0.253 5.336 1.00 0.00 H new ATOM 713 N LYS A 46 8.463 -6.199 4.799 1.00 0.00 N ATOM 714 CA LYS A 46 7.612 -5.887 3.657 1.00 0.00 C ATOM 715 C LYS A 46 6.158 -5.730 4.089 1.00 0.00 C ATOM 716 O LYS A 46 5.511 -4.730 3.775 1.00 0.00 O ATOM 717 CB LYS A 46 7.724 -6.985 2.596 1.00 0.00 C ATOM 718 CG LYS A 46 8.956 -6.857 1.716 1.00 0.00 C ATOM 719 CD LYS A 46 8.887 -7.794 0.522 1.00 0.00 C ATOM 720 CE LYS A 46 10.131 -7.682 -0.346 1.00 0.00 C ATOM 721 NZ LYS A 46 10.357 -6.287 -0.815 1.00 0.00 N ATOM 0 H LYS A 46 9.003 -7.058 4.699 1.00 0.00 H new ATOM 0 HA LYS A 46 7.950 -4.942 3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.740 -7.956 3.091 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.834 -6.963 1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.050 -5.828 1.368 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.848 -7.078 2.302 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.776 -8.821 0.870 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.004 -7.562 -0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.000 -8.020 0.219 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.034 -8.343 -1.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.072 -6.286 -1.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.466 -5.895 -1.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.691 -5.704 -0.021 1.00 0.00 H new ATOM 735 N VAL A 47 5.649 -6.723 4.811 1.00 0.00 N ATOM 736 CA VAL A 47 4.272 -6.693 5.289 1.00 0.00 C ATOM 737 C VAL A 47 3.994 -5.424 6.086 1.00 0.00 C ATOM 738 O VAL A 47 3.022 -4.716 5.824 1.00 0.00 O ATOM 739 CB VAL A 47 3.956 -7.918 6.168 1.00 0.00 C ATOM 740 CG1 VAL A 47 2.532 -7.842 6.697 1.00 0.00 C ATOM 741 CG2 VAL A 47 4.176 -9.204 5.387 1.00 0.00 C ATOM 0 H VAL A 47 6.170 -7.558 5.078 1.00 0.00 H new ATOM 0 HA VAL A 47 3.631 -6.712 4.408 1.00 0.00 H new ATOM 0 HB VAL A 47 4.635 -7.917 7.021 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.327 -8.716 7.316 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.414 -6.938 7.295 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.834 -7.818 5.860 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.948 -10.059 6.023 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.523 -9.216 4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.215 -9.260 5.063 1.00 0.00 H new ATOM 751 N GLU A 48 4.854 -5.142 7.059 1.00 0.00 N ATOM 752 CA GLU A 48 4.700 -3.957 7.895 1.00 0.00 C ATOM 753 C GLU A 48 4.566 -2.701 7.038 1.00 0.00 C ATOM 754 O GLU A 48 3.617 -1.932 7.190 1.00 0.00 O ATOM 755 CB GLU A 48 5.892 -3.816 8.843 1.00 0.00 C ATOM 756 CG GLU A 48 5.786 -2.626 9.782 1.00 0.00 C ATOM 757 CD GLU A 48 7.133 -2.186 10.322 1.00 0.00 C ATOM 758 OE1 GLU A 48 8.137 -2.873 10.040 1.00 0.00 O ATOM 759 OE2 GLU A 48 7.183 -1.156 11.026 1.00 0.00 O ATOM 0 H GLU A 48 5.664 -5.718 7.288 1.00 0.00 H new ATOM 0 HA GLU A 48 3.790 -4.074 8.483 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.985 -4.727 9.434 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.805 -3.723 8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.320 -1.793 9.255 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.131 -2.883 10.615 1.00 0.00 H new ATOM 766 N ILE A 49 5.525 -2.500 6.140 1.00 0.00 N ATOM 767 CA ILE A 49 5.514 -1.338 5.259 1.00 0.00 C ATOM 768 C ILE A 49 4.194 -1.234 4.503 1.00 0.00 C ATOM 769 O ILE A 49 3.590 -0.164 4.433 1.00 0.00 O ATOM 770 CB ILE A 49 6.671 -1.391 4.244 1.00 0.00 C ATOM 771 CG1 ILE A 49 8.015 -1.449 4.973 1.00 0.00 C ATOM 772 CG2 ILE A 49 6.617 -0.186 3.317 1.00 0.00 C ATOM 773 CD1 ILE A 49 9.139 -2.002 4.124 1.00 0.00 C ATOM 0 H ILE A 49 6.319 -3.126 6.003 1.00 0.00 H new ATOM 0 HA ILE A 49 5.637 -0.460 5.893 1.00 0.00 H new ATOM 0 HB ILE A 49 6.566 -2.294 3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.282 -0.446 5.307 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.909 -2.064 5.866 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.441 -0.237 2.605 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.670 -0.185 2.777 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.701 0.729 3.904 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.061 -2.014 4.705 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.894 -3.017 3.812 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.273 -1.374 3.243 1.00 0.00 H new ATOM 785 N ASN A 50 3.750 -2.353 3.941 1.00 0.00 N ATOM 786 CA ASN A 50 2.500 -2.388 3.191 1.00 0.00 C ATOM 787 C ASN A 50 1.319 -2.017 4.083 1.00 0.00 C ATOM 788 O ASN A 50 0.503 -1.167 3.729 1.00 0.00 O ATOM 789 CB ASN A 50 2.281 -3.777 2.587 1.00 0.00 C ATOM 790 CG ASN A 50 1.630 -3.717 1.219 1.00 0.00 C ATOM 791 OD1 ASN A 50 1.866 -2.787 0.447 1.00 0.00 O ATOM 792 ND2 ASN A 50 0.806 -4.711 0.912 1.00 0.00 N ATOM 0 H ASN A 50 4.237 -3.248 3.991 1.00 0.00 H new ATOM 0 HA ASN A 50 2.568 -1.656 2.386 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.239 -4.291 2.508 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.657 -4.367 3.258 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.339 -4.725 0.005 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.640 -5.461 1.583 1.00 0.00 H new ATOM 799 N ARG A 51 1.236 -2.661 5.243 1.00 0.00 N ATOM 800 CA ARG A 51 0.156 -2.401 6.186 1.00 0.00 C ATOM 801 C ARG A 51 0.036 -0.907 6.476 1.00 0.00 C ATOM 802 O ARG A 51 -1.040 -0.323 6.349 1.00 0.00 O ATOM 803 CB ARG A 51 0.392 -3.167 7.489 1.00 0.00 C ATOM 804 CG ARG A 51 -0.644 -2.876 8.563 1.00 0.00 C ATOM 805 CD ARG A 51 -0.342 -3.631 9.848 1.00 0.00 C ATOM 806 NE ARG A 51 -1.348 -3.385 10.877 1.00 0.00 N ATOM 807 CZ ARG A 51 -1.516 -4.162 11.941 1.00 0.00 C ATOM 808 NH1 ARG A 51 -0.748 -5.229 12.115 1.00 0.00 N ATOM 809 NH2 ARG A 51 -2.454 -3.873 12.834 1.00 0.00 N ATOM 0 H ARG A 51 1.904 -3.367 5.552 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.776 -2.743 5.736 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.393 -4.236 7.277 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.381 -2.918 7.873 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.668 -1.805 8.766 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.634 -3.154 8.200 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.293 -4.699 9.638 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.638 -3.334 10.221 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.955 -2.572 10.773 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.026 -5.455 11.431 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.879 -5.824 12.933 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.047 -3.053 12.704 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.582 -4.471 13.651 1.00 0.00 H new ATOM 823 N LYS A 52 1.148 -0.295 6.868 1.00 0.00 N ATOM 824 CA LYS A 52 1.170 1.130 7.176 1.00 0.00 C ATOM 825 C LYS A 52 0.771 1.956 5.957 1.00 0.00 C ATOM 826 O LYS A 52 0.033 2.935 6.073 1.00 0.00 O ATOM 827 CB LYS A 52 2.562 1.548 7.655 1.00 0.00 C ATOM 828 CG LYS A 52 2.766 1.380 9.151 1.00 0.00 C ATOM 829 CD LYS A 52 3.924 2.226 9.655 1.00 0.00 C ATOM 830 CE LYS A 52 3.479 3.644 9.976 1.00 0.00 C ATOM 831 NZ LYS A 52 2.467 3.674 11.068 1.00 0.00 N ATOM 0 H LYS A 52 2.047 -0.764 6.980 1.00 0.00 H new ATOM 0 HA LYS A 52 0.448 1.316 7.971 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.311 0.959 7.126 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.731 2.591 7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.854 1.660 9.677 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.955 0.331 9.378 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.351 1.767 10.547 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.712 2.252 8.902 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.345 4.239 10.267 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.061 4.105 9.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.779 4.329 11.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.554 3.994 10.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.360 2.720 11.468 1.00 0.00 H new ATOM 845 N ARG A 53 1.263 1.555 4.789 1.00 0.00 N ATOM 846 CA ARG A 53 0.957 2.258 3.549 1.00 0.00 C ATOM 847 C ARG A 53 -0.549 2.302 3.306 1.00 0.00 C ATOM 848 O ARG A 53 -1.121 3.369 3.081 1.00 0.00 O ATOM 849 CB ARG A 53 1.656 1.582 2.369 1.00 0.00 C ATOM 850 CG ARG A 53 3.160 1.802 2.343 1.00 0.00 C ATOM 851 CD ARG A 53 3.525 3.062 1.575 1.00 0.00 C ATOM 852 NE ARG A 53 3.073 3.008 0.187 1.00 0.00 N ATOM 853 CZ ARG A 53 3.452 3.876 -0.743 1.00 0.00 C ATOM 854 NH1 ARG A 53 4.285 4.861 -0.436 1.00 0.00 N ATOM 855 NH2 ARG A 53 2.998 3.761 -1.985 1.00 0.00 N ATOM 0 H ARG A 53 1.875 0.747 4.676 1.00 0.00 H new ATOM 0 HA ARG A 53 1.322 3.281 3.641 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.455 0.511 2.404 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.227 1.957 1.440 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.536 1.875 3.364 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.647 0.941 1.885 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.082 3.928 2.067 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.606 3.201 1.599 1.00 0.00 H new ATOM 0 HE ARG A 53 2.431 2.263 -0.082 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.636 4.953 0.517 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.574 5.526 -1.153 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.357 3.005 -2.226 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.290 4.429 -2.699 1.00 0.00 H new ATOM 869 N LEU A 54 -1.184 1.136 3.353 1.00 0.00 N ATOM 870 CA LEU A 54 -2.624 1.040 3.137 1.00 0.00 C ATOM 871 C LEU A 54 -3.388 1.803 4.215 1.00 0.00 C ATOM 872 O LEU A 54 -4.282 2.592 3.914 1.00 0.00 O ATOM 873 CB LEU A 54 -3.061 -0.426 3.126 1.00 0.00 C ATOM 874 CG LEU A 54 -2.891 -1.167 1.800 1.00 0.00 C ATOM 875 CD1 LEU A 54 -3.045 -2.666 2.002 1.00 0.00 C ATOM 876 CD2 LEU A 54 -3.893 -0.659 0.773 1.00 0.00 C ATOM 0 H LEU A 54 -0.725 0.244 3.539 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.853 1.488 2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.497 -0.958 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.111 -0.473 3.414 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.886 -0.974 1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.921 -3.176 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.288 -3.018 2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.037 -2.879 2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.758 -1.198 -0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.906 -0.821 1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.734 0.406 0.606 1.00 0.00 H new ATOM 888 N GLU A 55 -3.027 1.561 5.472 1.00 0.00 N ATOM 889 CA GLU A 55 -3.679 2.227 6.594 1.00 0.00 C ATOM 890 C GLU A 55 -3.690 3.740 6.397 1.00 0.00 C ATOM 891 O GLU A 55 -4.699 4.402 6.642 1.00 0.00 O ATOM 892 CB GLU A 55 -2.970 1.878 7.904 1.00 0.00 C ATOM 893 CG GLU A 55 -3.397 0.542 8.490 1.00 0.00 C ATOM 894 CD GLU A 55 -2.570 0.144 9.697 1.00 0.00 C ATOM 895 OE1 GLU A 55 -1.337 0.338 9.660 1.00 0.00 O ATOM 896 OE2 GLU A 55 -3.155 -0.363 10.677 1.00 0.00 O ATOM 0 H GLU A 55 -2.288 0.910 5.738 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.710 1.877 6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.894 1.862 7.732 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.165 2.664 8.633 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.448 0.594 8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.312 -0.230 7.725 1.00 0.00 H new ATOM 903 N VAL A 56 -2.561 4.282 5.952 1.00 0.00 N ATOM 904 CA VAL A 56 -2.440 5.716 5.721 1.00 0.00 C ATOM 905 C VAL A 56 -3.090 6.117 4.401 1.00 0.00 C ATOM 906 O VAL A 56 -3.516 7.259 4.229 1.00 0.00 O ATOM 907 CB VAL A 56 -0.965 6.160 5.710 1.00 0.00 C ATOM 908 CG1 VAL A 56 -0.859 7.653 5.436 1.00 0.00 C ATOM 909 CG2 VAL A 56 -0.292 5.803 7.026 1.00 0.00 C ATOM 0 H VAL A 56 -1.717 3.749 5.744 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.956 6.214 6.542 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.450 5.630 4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.190 7.949 5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.303 7.877 4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.388 8.204 6.213 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.749 6.124 7.001 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.807 6.305 7.846 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.336 4.724 7.176 1.00 0.00 H new ATOM 919 N ASP A 57 -3.163 5.170 3.472 1.00 0.00 N ATOM 920 CA ASP A 57 -3.763 5.424 2.168 1.00 0.00 C ATOM 921 C ASP A 57 -5.268 5.638 2.294 1.00 0.00 C ATOM 922 O ASP A 57 -5.791 6.684 1.909 1.00 0.00 O ATOM 923 CB ASP A 57 -3.479 4.260 1.217 1.00 0.00 C ATOM 924 CG ASP A 57 -2.132 4.386 0.533 1.00 0.00 C ATOM 925 OD1 ASP A 57 -1.800 5.501 0.076 1.00 0.00 O ATOM 926 OD2 ASP A 57 -1.408 3.371 0.456 1.00 0.00 O ATOM 0 H ASP A 57 -2.814 4.220 3.598 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.318 6.332 1.762 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.514 3.323 1.773 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.264 4.212 0.462 1.00 0.00 H new ATOM 931 N TYR A 58 -5.959 4.640 2.834 1.00 0.00 N ATOM 932 CA TYR A 58 -7.404 4.718 3.008 1.00 0.00 C ATOM 933 C TYR A 58 -7.785 5.912 3.877 1.00 0.00 C ATOM 934 O TYR A 58 -8.879 6.462 3.752 1.00 0.00 O ATOM 935 CB TYR A 58 -7.934 3.427 3.635 1.00 0.00 C ATOM 936 CG TYR A 58 -7.898 2.240 2.700 1.00 0.00 C ATOM 937 CD1 TYR A 58 -8.834 2.104 1.682 1.00 0.00 C ATOM 938 CD2 TYR A 58 -6.928 1.254 2.833 1.00 0.00 C ATOM 939 CE1 TYR A 58 -8.805 1.021 0.825 1.00 0.00 C ATOM 940 CE2 TYR A 58 -6.891 0.168 1.980 1.00 0.00 C ATOM 941 CZ TYR A 58 -7.832 0.056 0.978 1.00 0.00 C ATOM 942 OH TYR A 58 -7.800 -1.024 0.126 1.00 0.00 O ATOM 0 H TYR A 58 -5.541 3.768 3.159 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.856 4.849 2.025 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.346 3.197 4.524 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.960 3.588 3.965 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.597 2.858 1.559 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.190 1.338 3.617 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.540 0.931 0.039 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.130 -0.589 2.097 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.053 -1.610 0.369 1.00 0.00 H new ATOM 952 N GLY A 59 -6.873 6.310 4.759 1.00 0.00 N ATOM 953 CA GLY A 59 -7.131 7.437 5.636 1.00 0.00 C ATOM 954 C GLY A 59 -7.547 7.005 7.028 1.00 0.00 C ATOM 955 O GLY A 59 -8.480 7.563 7.606 1.00 0.00 O ATOM 0 H GLY A 59 -5.960 5.872 4.882 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.235 8.054 5.703 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.914 8.059 5.203 1.00 0.00 H new ATOM 959 N LEU A 60 -6.855 6.007 7.567 1.00 0.00 N ATOM 960 CA LEU A 60 -7.159 5.499 8.901 1.00 0.00 C ATOM 961 C LEU A 60 -6.108 5.954 9.909 1.00 0.00 C ATOM 962 O LEU A 60 -6.434 6.312 11.041 1.00 0.00 O ATOM 963 CB LEU A 60 -7.235 3.971 8.880 1.00 0.00 C ATOM 964 CG LEU A 60 -8.505 3.371 8.277 1.00 0.00 C ATOM 965 CD1 LEU A 60 -8.540 3.595 6.773 1.00 0.00 C ATOM 966 CD2 LEU A 60 -8.599 1.887 8.599 1.00 0.00 C ATOM 0 H LEU A 60 -6.080 5.534 7.102 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.125 5.901 9.206 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.378 3.592 8.323 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.136 3.608 9.903 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.366 3.873 8.718 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.451 3.161 6.362 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.521 4.665 6.564 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.673 3.120 6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.509 1.477 8.162 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.733 1.370 8.186 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.622 1.750 9.680 1.00 0.00 H new ATOM 978 N SER A 61 -4.847 5.938 9.490 1.00 0.00 N ATOM 979 CA SER A 61 -3.748 6.347 10.357 1.00 0.00 C ATOM 980 C SER A 61 -3.426 7.826 10.164 1.00 0.00 C ATOM 981 O SER A 61 -4.087 8.520 9.393 1.00 0.00 O ATOM 982 CB SER A 61 -2.505 5.501 10.074 1.00 0.00 C ATOM 983 OG SER A 61 -1.458 5.815 10.975 1.00 0.00 O ATOM 0 H SER A 61 -4.561 5.646 8.555 1.00 0.00 H new ATOM 0 HA SER A 61 -4.056 6.192 11.391 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.755 4.443 10.156 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.171 5.671 9.050 1.00 0.00 H new ATOM 0 HG SER A 61 -0.676 5.260 10.774 1.00 0.00 H new TER 989 SER A 61