USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 460 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 13 GLN : amide:sc= 0.447 K(o=0.52,f=-0.8) USER MOD Set 1.2: A 17 GLN : amide:sc= 0.0719 X(o=0.52,f=0.29) USER MOD Single : A 4 ASN : amide:sc= -0.433 X(o=-0.43,f=-0.77) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 121:sc= 0.744 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00881) USER MOD Single : A 19 LYS NZ :NH3+ 150:sc= 1.12 (180deg=0.507) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= 0.944 K(o=0.94,f=0) USER MOD Single : A 27 SER OG : rot -46:sc= 0.017 USER MOD Single : A3291 THR OG1 : rot -45:sc= 0.149 USER MOD Single : A3295 GLN : amide:sc=-0.00592 X(o=-0.0059,f=-0.0059) USER MOD Single : A3299 SER OG : rot 180:sc= 0 USER MOD Single : A3301 GLN :FLIP amide:sc= -0.0384 F(o=-1.5,f=-0.038) USER MOD Single : A3302 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A3306 ASN : amide:sc= 0.0235 X(o=0.023,f=0) USER MOD Single : A3308 SER OG : rot 180:sc= 0 USER MOD Single : A3315 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A3317 ASN : amide:sc= 0 X(o=0,f=0.023) USER MOD ----------------------------------------------------------------- ATOM 32 N ILE A 3 -22.604 11.650 -2.913 1.00 0.00 N ATOM 33 CA ILE A 3 -21.589 11.023 -3.737 1.00 0.00 C ATOM 34 C ILE A 3 -21.008 9.889 -2.908 1.00 0.00 C ATOM 35 O ILE A 3 -20.776 10.007 -1.698 1.00 0.00 O ATOM 36 CB ILE A 3 -20.550 12.082 -4.188 1.00 0.00 C ATOM 37 CG1 ILE A 3 -19.875 11.630 -5.494 1.00 0.00 C ATOM 38 CG2 ILE A 3 -19.488 12.418 -3.120 1.00 0.00 C ATOM 39 CD1 ILE A 3 -19.134 12.785 -6.176 1.00 0.00 C ATOM 0 HA ILE A 3 -21.986 10.607 -4.663 1.00 0.00 H new ATOM 0 HB ILE A 3 -21.106 13.005 -4.351 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -19.174 10.823 -5.281 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -20.627 11.228 -6.173 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -18.800 13.166 -3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -19.979 12.810 -2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -18.934 11.516 -2.861 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -18.670 12.427 -7.095 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -19.840 13.581 -6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -18.364 13.169 -5.507 1.00 0.00 H new ATOM 51 N ASN A 4 -20.756 8.801 -3.615 1.00 0.00 N ATOM 52 CA ASN A 4 -20.220 7.563 -3.099 1.00 0.00 C ATOM 53 C ASN A 4 -18.918 7.227 -3.803 1.00 0.00 C ATOM 54 O ASN A 4 -17.956 6.923 -3.119 1.00 0.00 O ATOM 55 CB ASN A 4 -21.253 6.442 -3.262 1.00 0.00 C ATOM 56 CG ASN A 4 -21.595 6.259 -4.726 1.00 0.00 C ATOM 57 OD1 ASN A 4 -22.350 7.027 -5.317 1.00 0.00 O ATOM 58 ND2 ASN A 4 -20.935 5.362 -5.410 1.00 0.00 N ATOM 0 H ASN A 4 -20.931 8.760 -4.619 1.00 0.00 H new ATOM 0 HA ASN A 4 -20.006 7.672 -2.036 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -20.859 5.511 -2.853 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -22.154 6.682 -2.697 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -21.050 5.306 -6.422 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -20.305 4.718 -4.932 1.00 0.00 H new ATOM 65 N GLU A 5 -18.821 7.427 -5.121 1.00 0.00 N ATOM 66 CA GLU A 5 -17.631 7.119 -5.920 1.00 0.00 C ATOM 67 C GLU A 5 -16.416 7.890 -5.390 1.00 0.00 C ATOM 68 O GLU A 5 -15.307 7.378 -5.289 1.00 0.00 O ATOM 69 CB GLU A 5 -17.894 7.469 -7.389 1.00 0.00 C ATOM 70 CG GLU A 5 -19.141 6.805 -7.984 1.00 0.00 C ATOM 71 CD GLU A 5 -19.259 7.139 -9.471 1.00 0.00 C ATOM 72 OE1 GLU A 5 -18.493 6.565 -10.277 1.00 0.00 O ATOM 73 OE2 GLU A 5 -20.087 8.020 -9.815 1.00 0.00 O ATOM 0 H GLU A 5 -19.585 7.816 -5.674 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.415 6.053 -5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.995 8.551 -7.480 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -17.025 7.179 -7.980 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -19.086 5.725 -7.850 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -20.031 7.147 -7.455 1.00 0.00 H new ATOM 80 N GLN A 6 -16.646 9.140 -5.002 1.00 0.00 N ATOM 81 CA GLN A 6 -15.622 10.019 -4.455 1.00 0.00 C ATOM 82 C GLN A 6 -15.323 9.646 -2.994 1.00 0.00 C ATOM 83 O GLN A 6 -14.260 9.978 -2.464 1.00 0.00 O ATOM 84 CB GLN A 6 -16.099 11.468 -4.595 1.00 0.00 C ATOM 85 CG GLN A 6 -15.001 12.427 -5.067 1.00 0.00 C ATOM 86 CD GLN A 6 -15.549 13.847 -5.150 1.00 0.00 C ATOM 87 OE1 GLN A 6 -15.784 14.384 -6.233 1.00 0.00 O ATOM 88 NE2 GLN A 6 -15.822 14.458 -4.008 1.00 0.00 N ATOM 0 H GLN A 6 -17.566 9.577 -5.060 1.00 0.00 H new ATOM 0 HA GLN A 6 -14.688 9.906 -5.005 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -16.929 11.503 -5.300 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -16.482 11.811 -3.634 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -14.157 12.394 -4.378 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -14.629 12.115 -6.043 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.620 13.996 -3.121 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -16.235 15.391 -4.015 1.00 0.00 H new ATOM 97 N THR A 7 -16.298 9.071 -2.291 1.00 0.00 N ATOM 98 CA THR A 7 -16.173 8.648 -0.909 1.00 0.00 C ATOM 99 C THR A 7 -15.390 7.341 -0.801 1.00 0.00 C ATOM 100 O THR A 7 -14.615 7.224 0.141 1.00 0.00 O ATOM 101 CB THR A 7 -17.553 8.496 -0.281 1.00 0.00 C ATOM 102 OG1 THR A 7 -18.253 9.728 -0.379 1.00 0.00 O ATOM 103 CG2 THR A 7 -17.415 8.084 1.182 1.00 0.00 C ATOM 0 H THR A 7 -17.220 8.884 -2.684 1.00 0.00 H new ATOM 0 HA THR A 7 -15.620 9.415 -0.366 1.00 0.00 H new ATOM 0 HB THR A 7 -18.111 7.723 -0.810 1.00 0.00 H new ATOM 0 HG1 THR A 7 -19.081 9.594 -0.885 1.00 0.00 H new ATOM 0 HG21 THR A 7 -18.405 7.977 1.625 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.885 7.133 1.244 1.00 0.00 H new ATOM 0 HG23 THR A 7 -16.856 8.847 1.724 1.00 0.00 H new ATOM 111 N LEU A 8 -15.463 6.426 -1.782 1.00 0.00 N ATOM 112 CA LEU A 8 -14.752 5.144 -1.781 1.00 0.00 C ATOM 113 C LEU A 8 -13.280 5.448 -1.535 1.00 0.00 C ATOM 114 O LEU A 8 -12.611 4.635 -0.925 1.00 0.00 O ATOM 115 CB LEU A 8 -14.844 4.363 -3.103 1.00 0.00 C ATOM 116 CG LEU A 8 -16.156 4.406 -3.898 1.00 0.00 C ATOM 117 CD1 LEU A 8 -16.037 3.655 -5.226 1.00 0.00 C ATOM 118 CD2 LEU A 8 -17.352 3.860 -3.129 1.00 0.00 C ATOM 0 H LEU A 8 -16.033 6.564 -2.617 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.215 4.522 -1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -14.050 4.726 -3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -14.625 3.318 -2.885 1.00 0.00 H new ATOM 0 HG LEU A 8 -16.334 5.465 -4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -16.986 3.708 -5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -15.253 4.110 -5.832 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -15.787 2.612 -5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -18.244 3.922 -3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -17.168 2.820 -2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -17.501 4.447 -2.223 1.00 0.00 H new ATOM 130 N ASP A 9 -12.783 6.621 -1.938 1.00 0.00 N ATOM 131 CA ASP A 9 -11.409 7.080 -1.773 1.00 0.00 C ATOM 132 C ASP A 9 -10.966 6.941 -0.312 1.00 0.00 C ATOM 133 O ASP A 9 -9.890 6.385 -0.070 1.00 0.00 O ATOM 134 CB ASP A 9 -11.333 8.547 -2.209 1.00 0.00 C ATOM 135 CG ASP A 9 -9.943 9.187 -2.144 1.00 0.00 C ATOM 136 OD1 ASP A 9 -9.205 9.006 -1.145 1.00 0.00 O ATOM 137 OD2 ASP A 9 -9.635 10.021 -3.025 1.00 0.00 O ATOM 0 H ASP A 9 -13.364 7.311 -2.414 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.743 6.472 -2.385 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.700 8.622 -3.233 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.010 9.129 -1.584 1.00 0.00 H new ATOM 142 N LYS A 10 -11.765 7.410 0.663 1.00 0.00 N ATOM 143 CA LYS A 10 -11.402 7.301 2.082 1.00 0.00 C ATOM 144 C LYS A 10 -11.405 5.837 2.527 1.00 0.00 C ATOM 145 O LYS A 10 -10.739 5.490 3.502 1.00 0.00 O ATOM 146 CB LYS A 10 -12.262 8.192 3.007 1.00 0.00 C ATOM 147 CG LYS A 10 -13.655 7.630 3.317 1.00 0.00 C ATOM 148 CD LYS A 10 -14.594 8.589 4.043 1.00 0.00 C ATOM 149 CE LYS A 10 -14.534 8.531 5.571 1.00 0.00 C ATOM 150 NZ LYS A 10 -15.183 9.729 6.140 1.00 0.00 N ATOM 0 H LYS A 10 -12.662 7.866 0.493 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.387 7.687 2.179 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.728 8.342 3.945 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -12.374 9.172 2.544 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -14.124 7.327 2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.540 6.731 3.922 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -14.365 9.606 3.725 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -15.616 8.379 3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -15.032 7.630 5.930 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.497 8.475 5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.141 9.687 7.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -14.689 10.582 5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.177 9.763 5.835 1.00 0.00 H new ATOM 164 N LEU A 11 -12.226 4.999 1.894 1.00 0.00 N ATOM 165 CA LEU A 11 -12.347 3.587 2.197 1.00 0.00 C ATOM 166 C LEU A 11 -11.129 2.857 1.634 1.00 0.00 C ATOM 167 O LEU A 11 -10.424 2.173 2.363 1.00 0.00 O ATOM 168 CB LEU A 11 -13.667 2.988 1.652 1.00 0.00 C ATOM 169 CG LEU A 11 -14.995 3.322 2.354 1.00 0.00 C ATOM 170 CD1 LEU A 11 -14.948 3.170 3.873 1.00 0.00 C ATOM 171 CD2 LEU A 11 -15.543 4.706 2.022 1.00 0.00 C ATOM 0 H LEU A 11 -12.839 5.300 1.136 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.380 3.459 3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.761 3.297 0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.560 1.903 1.655 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.673 2.572 1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -15.921 3.423 4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.699 2.140 4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.190 3.838 4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -16.480 4.864 2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -14.821 5.465 2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -15.720 4.779 0.949 1.00 0.00 H new ATOM 183 N ARG A 12 -10.817 2.992 0.345 1.00 0.00 N ATOM 184 CA ARG A 12 -9.677 2.309 -0.273 1.00 0.00 C ATOM 185 C ARG A 12 -8.377 2.676 0.394 1.00 0.00 C ATOM 186 O ARG A 12 -7.555 1.797 0.643 1.00 0.00 O ATOM 187 CB ARG A 12 -9.620 2.476 -1.798 1.00 0.00 C ATOM 188 CG ARG A 12 -10.013 3.837 -2.376 1.00 0.00 C ATOM 189 CD ARG A 12 -8.900 4.572 -3.109 1.00 0.00 C ATOM 190 NE ARG A 12 -8.238 5.584 -2.279 1.00 0.00 N ATOM 191 CZ ARG A 12 -7.289 6.403 -2.736 1.00 0.00 C ATOM 192 NH1 ARG A 12 -6.529 6.046 -3.764 1.00 0.00 N ATOM 193 NH2 ARG A 12 -7.111 7.570 -2.142 1.00 0.00 N ATOM 0 H ARG A 12 -11.346 3.577 -0.301 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.836 1.244 -0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.603 2.254 -2.123 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.269 1.722 -2.243 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.848 3.696 -3.063 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.372 4.469 -1.564 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.159 3.850 -3.451 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.312 5.051 -3.997 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.518 5.666 -1.302 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.668 5.140 -4.211 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.806 6.678 -4.107 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.694 7.832 -1.347 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.390 8.209 -2.478 1.00 0.00 H new ATOM 207 N GLN A 13 -8.191 3.949 0.717 1.00 0.00 N ATOM 208 CA GLN A 13 -6.984 4.381 1.389 1.00 0.00 C ATOM 209 C GLN A 13 -6.905 3.756 2.792 1.00 0.00 C ATOM 210 O GLN A 13 -5.813 3.473 3.271 1.00 0.00 O ATOM 211 CB GLN A 13 -6.857 5.901 1.320 1.00 0.00 C ATOM 212 CG GLN A 13 -7.875 6.637 2.190 1.00 0.00 C ATOM 213 CD GLN A 13 -7.406 6.814 3.628 1.00 0.00 C ATOM 214 OE1 GLN A 13 -6.253 7.158 3.871 1.00 0.00 O ATOM 215 NE2 GLN A 13 -8.256 6.525 4.595 1.00 0.00 N ATOM 0 H GLN A 13 -8.860 4.694 0.523 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.095 4.012 0.877 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.852 6.188 1.629 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.976 6.221 0.285 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.076 7.616 1.756 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.816 6.086 2.185 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.209 6.241 4.368 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.960 6.585 5.569 1.00 0.00 H new ATOM 224 N ALA A 14 -8.036 3.508 3.459 1.00 0.00 N ATOM 225 CA ALA A 14 -8.053 2.891 4.777 1.00 0.00 C ATOM 226 C ALA A 14 -7.637 1.420 4.644 1.00 0.00 C ATOM 227 O ALA A 14 -6.936 0.883 5.501 1.00 0.00 O ATOM 228 CB ALA A 14 -9.458 3.027 5.364 1.00 0.00 C ATOM 0 H ALA A 14 -8.962 3.731 3.096 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.350 3.383 5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.485 2.568 6.352 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.717 4.082 5.446 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.175 2.527 4.712 1.00 0.00 H new ATOM 234 N VAL A 15 -8.046 0.761 3.557 1.00 0.00 N ATOM 235 CA VAL A 15 -7.710 -0.628 3.292 1.00 0.00 C ATOM 236 C VAL A 15 -6.231 -0.727 2.912 1.00 0.00 C ATOM 237 O VAL A 15 -5.503 -1.476 3.557 1.00 0.00 O ATOM 238 CB VAL A 15 -8.630 -1.201 2.203 1.00 0.00 C ATOM 239 CG1 VAL A 15 -8.305 -2.663 1.865 1.00 0.00 C ATOM 240 CG2 VAL A 15 -10.098 -1.128 2.616 1.00 0.00 C ATOM 0 H VAL A 15 -8.625 1.186 2.833 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.868 -1.227 4.189 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.455 -0.584 1.322 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.985 -3.017 1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.278 -2.734 1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.421 -3.277 2.758 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.720 -1.542 1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.248 -1.702 3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.376 -0.088 2.790 1.00 0.00 H new ATOM 250 N LEU A 16 -5.744 0.029 1.915 1.00 0.00 N ATOM 251 CA LEU A 16 -4.337 -0.038 1.500 1.00 0.00 C ATOM 252 C LEU A 16 -3.383 0.155 2.672 1.00 0.00 C ATOM 253 O LEU A 16 -2.332 -0.473 2.678 1.00 0.00 O ATOM 254 CB LEU A 16 -4.003 0.857 0.292 1.00 0.00 C ATOM 255 CG LEU A 16 -3.893 2.364 0.583 1.00 0.00 C ATOM 256 CD1 LEU A 16 -2.478 2.810 0.959 1.00 0.00 C ATOM 257 CD2 LEU A 16 -4.344 3.172 -0.643 1.00 0.00 C ATOM 0 H LEU A 16 -6.306 0.693 1.382 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.182 -1.055 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.059 0.519 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.769 0.708 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.540 2.551 1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.474 3.883 1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.156 2.280 1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.796 2.585 0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.262 4.237 -0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.710 2.925 -1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.380 2.928 -0.879 1.00 0.00 H new ATOM 269 N GLN A 17 -3.741 0.955 3.683 1.00 0.00 N ATOM 270 CA GLN A 17 -2.884 1.160 4.844 1.00 0.00 C ATOM 271 C GLN A 17 -2.513 -0.182 5.495 1.00 0.00 C ATOM 272 O GLN A 17 -1.365 -0.318 5.934 1.00 0.00 O ATOM 273 CB GLN A 17 -3.561 2.095 5.844 1.00 0.00 C ATOM 274 CG GLN A 17 -3.443 3.571 5.456 1.00 0.00 C ATOM 275 CD GLN A 17 -4.295 4.434 6.382 1.00 0.00 C ATOM 276 OE1 GLN A 17 -4.231 4.293 7.604 1.00 0.00 O ATOM 277 NE2 GLN A 17 -5.085 5.350 5.864 1.00 0.00 N ATOM 0 H GLN A 17 -4.621 1.469 3.715 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.958 1.631 4.514 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.615 1.829 5.925 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.118 1.947 6.829 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.401 3.886 5.511 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.763 3.709 4.423 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.137 5.466 4.852 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.645 5.945 6.475 1.00 0.00 H new ATOM 286 N LYS A 18 -3.424 -1.172 5.589 1.00 0.00 N ATOM 287 CA LYS A 18 -3.040 -2.453 6.176 1.00 0.00 C ATOM 288 C LYS A 18 -2.159 -3.220 5.189 1.00 0.00 C ATOM 289 O LYS A 18 -1.185 -3.828 5.622 1.00 0.00 O ATOM 290 CB LYS A 18 -4.257 -3.259 6.654 1.00 0.00 C ATOM 291 CG LYS A 18 -5.127 -3.874 5.545 1.00 0.00 C ATOM 292 CD LYS A 18 -6.622 -3.563 5.695 1.00 0.00 C ATOM 293 CE LYS A 18 -7.303 -4.634 6.530 1.00 0.00 C ATOM 294 NZ LYS A 18 -7.031 -4.533 7.972 1.00 0.00 N ATOM 0 H LYS A 18 -4.393 -1.107 5.277 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.454 -2.270 7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.906 -4.062 7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.884 -2.608 7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.783 -3.506 4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.988 -4.955 5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.752 -2.588 6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.089 -3.507 4.712 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.379 -4.576 6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.981 -5.614 6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.569 -5.265 8.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.014 -4.669 8.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.317 -3.593 8.314 1.00 0.00 H new ATOM 308 N LYS A 19 -2.416 -3.128 3.874 1.00 0.00 N ATOM 309 CA LYS A 19 -1.637 -3.815 2.842 1.00 0.00 C ATOM 310 C LYS A 19 -0.158 -3.462 2.982 1.00 0.00 C ATOM 311 O LYS A 19 0.677 -4.351 2.857 1.00 0.00 O ATOM 312 CB LYS A 19 -2.139 -3.511 1.417 1.00 0.00 C ATOM 313 CG LYS A 19 -3.532 -4.101 1.131 1.00 0.00 C ATOM 314 CD LYS A 19 -3.937 -3.912 -0.340 1.00 0.00 C ATOM 315 CE LYS A 19 -5.344 -4.432 -0.627 1.00 0.00 C ATOM 316 NZ LYS A 19 -5.375 -5.814 -1.150 1.00 0.00 N ATOM 0 H LYS A 19 -3.180 -2.567 3.498 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.769 -4.886 2.995 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.171 -2.431 1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.427 -3.909 0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.535 -5.163 1.376 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.269 -3.623 1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.884 -2.854 -0.596 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.223 -4.430 -0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.932 -4.387 0.290 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.826 -3.770 -1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.259 -6.276 -0.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.323 -5.793 -2.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.565 -6.346 -0.773 1.00 0.00 H new ATOM 330 N ILE A 20 0.182 -2.223 3.358 1.00 0.00 N ATOM 331 CA ILE A 20 1.576 -1.805 3.529 1.00 0.00 C ATOM 332 C ILE A 20 2.267 -2.673 4.595 1.00 0.00 C ATOM 333 O ILE A 20 3.441 -3.004 4.455 1.00 0.00 O ATOM 334 CB ILE A 20 1.694 -0.296 3.850 1.00 0.00 C ATOM 335 CG1 ILE A 20 0.750 0.601 3.022 1.00 0.00 C ATOM 336 CG2 ILE A 20 3.145 0.184 3.667 1.00 0.00 C ATOM 337 CD1 ILE A 20 0.757 0.354 1.508 1.00 0.00 C ATOM 0 H ILE A 20 -0.498 -1.487 3.551 1.00 0.00 H new ATOM 0 HA ILE A 20 2.091 -1.957 2.581 1.00 0.00 H new ATOM 0 HB ILE A 20 1.387 -0.197 4.891 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.267 0.464 3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.016 1.642 3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.208 1.248 3.897 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.800 -0.372 4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.456 0.017 2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.059 1.038 1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.760 0.523 1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.457 -0.674 1.306 1.00 0.00 H new ATOM 349 N LYS A 21 1.565 -3.032 5.675 1.00 0.00 N ATOM 350 CA LYS A 21 2.082 -3.878 6.757 1.00 0.00 C ATOM 351 C LYS A 21 2.159 -5.331 6.298 1.00 0.00 C ATOM 352 O LYS A 21 2.940 -6.125 6.812 1.00 0.00 O ATOM 353 CB LYS A 21 1.149 -3.880 7.966 1.00 0.00 C ATOM 354 CG LYS A 21 0.733 -2.487 8.433 1.00 0.00 C ATOM 355 CD LYS A 21 -0.181 -2.627 9.648 1.00 0.00 C ATOM 356 CE LYS A 21 -1.024 -1.370 9.820 1.00 0.00 C ATOM 357 NZ LYS A 21 -0.217 -0.202 10.218 1.00 0.00 N ATOM 0 H LYS A 21 0.600 -2.736 5.825 1.00 0.00 H new ATOM 0 HA LYS A 21 3.059 -3.474 7.021 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.254 -4.452 7.720 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.641 -4.396 8.790 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.613 -1.897 8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.217 -1.959 7.631 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.829 -3.495 9.526 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.416 -2.798 10.544 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.539 -1.151 8.885 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.792 -1.551 10.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.835 0.628 10.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.255 -0.398 11.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.500 -0.010 9.489 1.00 0.00 H new ATOM 371 N GLU A 22 1.280 -5.713 5.381 1.00 0.00 N ATOM 372 CA GLU A 22 1.223 -7.070 4.866 1.00 0.00 C ATOM 373 C GLU A 22 2.403 -7.276 3.920 1.00 0.00 C ATOM 374 O GLU A 22 3.148 -8.232 4.119 1.00 0.00 O ATOM 375 CB GLU A 22 -0.160 -7.387 4.253 1.00 0.00 C ATOM 376 CG GLU A 22 -1.258 -7.274 5.335 1.00 0.00 C ATOM 377 CD GLU A 22 -2.717 -7.500 4.901 1.00 0.00 C ATOM 378 OE1 GLU A 22 -3.550 -7.851 5.773 1.00 0.00 O ATOM 379 OE2 GLU A 22 -3.082 -7.256 3.730 1.00 0.00 O ATOM 0 H GLU A 22 0.585 -5.087 4.974 1.00 0.00 H new ATOM 0 HA GLU A 22 1.324 -7.795 5.674 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.371 -6.697 3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.157 -8.391 3.830 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.028 -7.991 6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.190 -6.281 5.779 1.00 0.00 H new ATOM 386 N ARG A 23 2.650 -6.377 2.961 1.00 0.00 N ATOM 387 CA ARG A 23 3.782 -6.515 2.032 1.00 0.00 C ATOM 388 C ARG A 23 5.110 -6.523 2.778 1.00 0.00 C ATOM 389 O ARG A 23 5.960 -7.343 2.461 1.00 0.00 O ATOM 390 CB ARG A 23 3.775 -5.458 0.903 1.00 0.00 C ATOM 391 CG ARG A 23 3.792 -3.991 1.340 1.00 0.00 C ATOM 392 CD ARG A 23 5.190 -3.370 1.466 1.00 0.00 C ATOM 393 NE ARG A 23 5.843 -3.269 0.141 1.00 0.00 N ATOM 394 CZ ARG A 23 7.135 -3.430 -0.180 1.00 0.00 C ATOM 395 NH1 ARG A 23 8.084 -3.588 0.729 1.00 0.00 N ATOM 396 NH2 ARG A 23 7.536 -3.420 -1.442 1.00 0.00 N ATOM 0 H ARG A 23 2.082 -5.544 2.806 1.00 0.00 H new ATOM 0 HA ARG A 23 3.660 -7.481 1.542 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.642 -5.634 0.266 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.889 -5.621 0.289 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.214 -3.407 0.624 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.285 -3.908 2.302 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.114 -2.380 1.915 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.803 -3.976 2.133 1.00 0.00 H new ATOM 0 HE ARG A 23 5.223 -3.045 -0.637 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.845 -3.591 1.721 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.054 -3.707 0.438 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.857 -3.288 -2.192 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.524 -3.544 -1.664 1.00 0.00 H new ATOM 410 N ILE A 24 5.295 -5.665 3.782 1.00 0.00 N ATOM 411 CA ILE A 24 6.548 -5.612 4.530 1.00 0.00 C ATOM 412 C ILE A 24 6.752 -6.869 5.369 1.00 0.00 C ATOM 413 O ILE A 24 7.858 -7.418 5.377 1.00 0.00 O ATOM 414 CB ILE A 24 6.612 -4.335 5.404 1.00 0.00 C ATOM 415 CG1 ILE A 24 7.917 -4.246 6.213 1.00 0.00 C ATOM 416 CG2 ILE A 24 5.447 -4.237 6.392 1.00 0.00 C ATOM 417 CD1 ILE A 24 7.982 -3.006 7.093 1.00 0.00 C ATOM 0 H ILE A 24 4.591 -4.997 4.095 1.00 0.00 H new ATOM 0 HA ILE A 24 7.365 -5.569 3.810 1.00 0.00 H new ATOM 0 HB ILE A 24 6.558 -3.511 4.692 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.013 -5.134 6.837 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.765 -4.244 5.528 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.543 -3.323 6.978 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.505 -4.219 5.843 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.462 -5.099 7.059 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.925 -2.997 7.640 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.915 -2.114 6.470 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.153 -3.018 7.800 1.00 0.00 H new ATOM 429 N GLN A 25 5.712 -7.334 6.068 1.00 0.00 N ATOM 430 CA GLN A 25 5.882 -8.491 6.917 1.00 0.00 C ATOM 431 C GLN A 25 5.945 -9.804 6.125 1.00 0.00 C ATOM 432 O GLN A 25 6.882 -10.575 6.310 1.00 0.00 O ATOM 433 CB GLN A 25 4.719 -8.549 7.926 1.00 0.00 C ATOM 434 CG GLN A 25 5.091 -9.474 9.099 1.00 0.00 C ATOM 435 CD GLN A 25 3.917 -10.195 9.758 1.00 0.00 C ATOM 436 OE1 GLN A 25 4.006 -11.395 10.005 1.00 0.00 O ATOM 437 NE2 GLN A 25 2.808 -9.543 10.061 1.00 0.00 N ATOM 0 H GLN A 25 4.774 -6.933 6.058 1.00 0.00 H new ATOM 0 HA GLN A 25 6.837 -8.385 7.432 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.497 -7.548 8.297 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.817 -8.914 7.435 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.800 -10.220 8.741 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.605 -8.883 9.857 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.730 -8.547 9.857 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.030 -10.036 10.498 1.00 0.00 H new ATOM 446 N ASN A 26 5.007 -10.021 5.199 1.00 0.00 N ATOM 447 CA ASN A 26 4.927 -11.246 4.408 1.00 0.00 C ATOM 448 C ASN A 26 6.002 -11.253 3.341 1.00 0.00 C ATOM 449 O ASN A 26 6.721 -12.236 3.212 1.00 0.00 O ATOM 450 CB ASN A 26 3.523 -11.433 3.782 1.00 0.00 C ATOM 451 CG ASN A 26 2.423 -11.586 4.829 1.00 0.00 C ATOM 452 OD1 ASN A 26 1.998 -12.689 5.168 1.00 0.00 O ATOM 453 ND2 ASN A 26 1.933 -10.478 5.363 1.00 0.00 N ATOM 0 H ASN A 26 4.277 -9.344 4.978 1.00 0.00 H new ATOM 0 HA ASN A 26 5.095 -12.089 5.078 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.297 -10.577 3.147 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.531 -12.313 3.139 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.194 -10.533 6.064 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.294 -9.569 5.073 1.00 0.00 H new ATOM 460 N SER A 27 6.105 -10.176 2.559 1.00 0.00 N ATOM 461 CA SER A 27 7.081 -10.012 1.471 1.00 0.00 C ATOM 462 C SER A 27 7.066 -11.181 0.466 1.00 0.00 C ATOM 463 O SER A 27 8.017 -11.394 -0.292 1.00 0.00 O ATOM 464 CB SER A 27 8.457 -9.764 2.106 1.00 0.00 C ATOM 465 OG SER A 27 9.370 -9.139 1.217 1.00 0.00 O ATOM 0 H SER A 27 5.494 -9.367 2.666 1.00 0.00 H new ATOM 0 HA SER A 27 6.810 -9.150 0.861 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.336 -9.141 2.992 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.875 -10.714 2.439 1.00 0.00 H new ATOM 0 HG SER A 27 9.338 -9.588 0.346 1.00 0.00 H new ATOM 834 N ILE A3289 6.513 5.336 3.422 1.00 0.00 N ATOM 835 CA ILE A3289 7.817 5.631 2.864 1.00 0.00 C ATOM 836 C ILE A3289 7.680 5.767 1.351 1.00 0.00 C ATOM 837 O ILE A3289 7.814 4.805 0.589 1.00 0.00 O ATOM 838 CB ILE A3289 8.873 4.601 3.329 1.00 0.00 C ATOM 839 CG1 ILE A3289 8.819 4.372 4.857 1.00 0.00 C ATOM 840 CG2 ILE A3289 10.268 5.110 2.923 1.00 0.00 C ATOM 841 CD1 ILE A3289 9.815 3.324 5.363 1.00 0.00 C ATOM 0 HA ILE A3289 8.192 6.584 3.238 1.00 0.00 H new ATOM 0 HB ILE A3289 8.661 3.645 2.851 1.00 0.00 H new ATOM 0 HG12 ILE A3289 9.013 5.318 5.363 1.00 0.00 H new ATOM 0 HG13 ILE A3289 7.811 4.064 5.133 1.00 0.00 H new ATOM 0 HG21 ILE A3289 11.024 4.394 3.244 1.00 0.00 H new ATOM 0 HG22 ILE A3289 10.313 5.224 1.840 1.00 0.00 H new ATOM 0 HG23 ILE A3289 10.456 6.073 3.397 1.00 0.00 H new ATOM 0 HD11 ILE A3289 9.716 3.220 6.444 1.00 0.00 H new ATOM 0 HD12 ILE A3289 9.609 2.366 4.886 1.00 0.00 H new ATOM 0 HD13 ILE A3289 10.830 3.639 5.120 1.00 0.00 H new ATOM 853 N GLU A3290 7.428 7.003 0.929 1.00 0.00 N ATOM 854 CA GLU A3290 7.271 7.434 -0.458 1.00 0.00 C ATOM 855 C GLU A3290 8.591 7.269 -1.244 1.00 0.00 C ATOM 856 O GLU A3290 8.645 7.412 -2.462 1.00 0.00 O ATOM 857 CB GLU A3290 6.800 8.893 -0.424 1.00 0.00 C ATOM 858 CG GLU A3290 6.276 9.453 -1.744 1.00 0.00 C ATOM 859 CD GLU A3290 5.602 10.801 -1.480 1.00 0.00 C ATOM 860 OE1 GLU A3290 4.355 10.881 -1.499 1.00 0.00 O ATOM 861 OE2 GLU A3290 6.290 11.803 -1.185 1.00 0.00 O ATOM 0 H GLU A3290 7.322 7.777 1.585 1.00 0.00 H new ATOM 0 HA GLU A3290 6.537 6.818 -0.977 1.00 0.00 H new ATOM 0 HB2 GLU A3290 6.013 8.984 0.325 1.00 0.00 H new ATOM 0 HB3 GLU A3290 7.631 9.515 -0.091 1.00 0.00 H new ATOM 0 HG2 GLU A3290 7.095 9.574 -2.453 1.00 0.00 H new ATOM 0 HG3 GLU A3290 5.566 8.758 -2.192 1.00 0.00 H new ATOM 868 N THR A3291 9.665 6.921 -0.541 1.00 0.00 N ATOM 869 CA THR A3291 11.012 6.724 -1.041 1.00 0.00 C ATOM 870 C THR A3291 11.496 5.285 -0.805 1.00 0.00 C ATOM 871 O THR A3291 12.662 5.077 -0.466 1.00 0.00 O ATOM 872 CB THR A3291 11.868 7.875 -0.463 1.00 0.00 C ATOM 873 OG1 THR A3291 13.179 7.912 -0.991 1.00 0.00 O ATOM 874 CG2 THR A3291 11.955 7.887 1.068 1.00 0.00 C ATOM 0 H THR A3291 9.607 6.759 0.464 1.00 0.00 H new ATOM 0 HA THR A3291 11.087 6.794 -2.126 1.00 0.00 H new ATOM 0 HB THR A3291 11.327 8.767 -0.778 1.00 0.00 H new ATOM 0 HG1 THR A3291 13.553 7.006 -1.002 1.00 0.00 H new ATOM 0 HG21 THR A3291 12.573 8.725 1.391 1.00 0.00 H new ATOM 0 HG22 THR A3291 10.955 7.991 1.488 1.00 0.00 H new ATOM 0 HG23 THR A3291 12.399 6.954 1.415 1.00 0.00 H new ATOM 882 N PHE A3292 10.611 4.281 -0.920 1.00 0.00 N ATOM 883 CA PHE A3292 10.991 2.883 -0.736 1.00 0.00 C ATOM 884 C PHE A3292 10.082 1.934 -1.516 1.00 0.00 C ATOM 885 O PHE A3292 10.557 1.214 -2.391 1.00 0.00 O ATOM 886 CB PHE A3292 11.016 2.532 0.756 1.00 0.00 C ATOM 887 CG PHE A3292 11.405 1.099 1.088 1.00 0.00 C ATOM 888 CD1 PHE A3292 12.320 0.375 0.295 1.00 0.00 C ATOM 889 CD2 PHE A3292 10.822 0.476 2.205 1.00 0.00 C ATOM 890 CE1 PHE A3292 12.617 -0.966 0.599 1.00 0.00 C ATOM 891 CE2 PHE A3292 11.113 -0.864 2.505 1.00 0.00 C ATOM 892 CZ PHE A3292 12.012 -1.588 1.703 1.00 0.00 C ATOM 0 H PHE A3292 9.625 4.419 -1.141 1.00 0.00 H new ATOM 0 HA PHE A3292 11.995 2.754 -1.139 1.00 0.00 H new ATOM 0 HB2 PHE A3292 11.713 3.204 1.257 1.00 0.00 H new ATOM 0 HB3 PHE A3292 10.028 2.727 1.173 1.00 0.00 H new ATOM 0 HD1 PHE A3292 12.795 0.853 -0.549 1.00 0.00 H new ATOM 0 HD2 PHE A3292 10.145 1.032 2.837 1.00 0.00 H new ATOM 0 HE1 PHE A3292 13.311 -1.518 -0.017 1.00 0.00 H new ATOM 0 HE2 PHE A3292 10.645 -1.340 3.354 1.00 0.00 H new ATOM 0 HZ PHE A3292 12.237 -2.619 1.935 1.00 0.00 H new ATOM 902 N PHE A3293 8.779 1.955 -1.225 1.00 0.00 N ATOM 903 CA PHE A3293 7.776 1.098 -1.864 1.00 0.00 C ATOM 904 C PHE A3293 6.745 1.904 -2.654 1.00 0.00 C ATOM 905 O PHE A3293 5.742 1.336 -3.082 1.00 0.00 O ATOM 906 CB PHE A3293 7.133 0.154 -0.826 1.00 0.00 C ATOM 907 CG PHE A3293 6.910 0.756 0.549 1.00 0.00 C ATOM 908 CD1 PHE A3293 7.521 0.179 1.678 1.00 0.00 C ATOM 909 CD2 PHE A3293 6.147 1.929 0.699 1.00 0.00 C ATOM 910 CE1 PHE A3293 7.356 0.763 2.945 1.00 0.00 C ATOM 911 CE2 PHE A3293 5.961 2.493 1.968 1.00 0.00 C ATOM 912 CZ PHE A3293 6.554 1.905 3.100 1.00 0.00 C ATOM 0 H PHE A3293 8.383 2.581 -0.524 1.00 0.00 H new ATOM 0 HA PHE A3293 8.283 0.475 -2.601 1.00 0.00 H new ATOM 0 HB2 PHE A3293 6.174 -0.187 -1.215 1.00 0.00 H new ATOM 0 HB3 PHE A3293 7.766 -0.727 -0.720 1.00 0.00 H new ATOM 0 HD1 PHE A3293 8.118 -0.715 1.570 1.00 0.00 H new ATOM 0 HD2 PHE A3293 5.703 2.396 -0.168 1.00 0.00 H new ATOM 0 HE1 PHE A3293 7.848 0.331 3.804 1.00 0.00 H new ATOM 0 HE2 PHE A3293 5.360 3.383 2.078 1.00 0.00 H new ATOM 0 HZ PHE A3293 6.394 2.329 4.080 1.00 0.00 H new ATOM 922 N ALA A3294 6.964 3.205 -2.884 1.00 0.00 N ATOM 923 CA ALA A3294 6.023 4.044 -3.631 1.00 0.00 C ATOM 924 C ALA A3294 5.657 3.452 -4.998 1.00 0.00 C ATOM 925 O ALA A3294 4.545 3.647 -5.485 1.00 0.00 O ATOM 926 CB ALA A3294 6.588 5.442 -3.825 1.00 0.00 C ATOM 0 H ALA A3294 7.794 3.702 -2.559 1.00 0.00 H new ATOM 0 HA ALA A3294 5.113 4.090 -3.033 1.00 0.00 H new ATOM 0 HB1 ALA A3294 5.874 6.049 -4.382 1.00 0.00 H new ATOM 0 HB2 ALA A3294 6.772 5.898 -2.852 1.00 0.00 H new ATOM 0 HB3 ALA A3294 7.524 5.382 -4.380 1.00 0.00 H new ATOM 932 N GLN A3295 6.593 2.731 -5.614 1.00 0.00 N ATOM 933 CA GLN A3295 6.422 2.095 -6.911 1.00 0.00 C ATOM 934 C GLN A3295 5.341 1.008 -6.823 1.00 0.00 C ATOM 935 O GLN A3295 4.614 0.774 -7.784 1.00 0.00 O ATOM 936 CB GLN A3295 7.782 1.544 -7.371 1.00 0.00 C ATOM 937 CG GLN A3295 8.916 2.593 -7.331 1.00 0.00 C ATOM 938 CD GLN A3295 8.643 3.798 -8.229 1.00 0.00 C ATOM 939 OE1 GLN A3295 8.655 3.670 -9.451 1.00 0.00 O ATOM 940 NE2 GLN A3295 8.423 4.979 -7.674 1.00 0.00 N ATOM 0 H GLN A3295 7.516 2.571 -5.210 1.00 0.00 H new ATOM 0 HA GLN A3295 6.081 2.815 -7.655 1.00 0.00 H new ATOM 0 HB2 GLN A3295 8.056 0.700 -6.738 1.00 0.00 H new ATOM 0 HB3 GLN A3295 7.686 1.163 -8.388 1.00 0.00 H new ATOM 0 HG2 GLN A3295 9.052 2.934 -6.305 1.00 0.00 H new ATOM 0 HG3 GLN A3295 9.850 2.122 -7.637 1.00 0.00 H new ATOM 0 HE21 GLN A3295 8.416 5.072 -6.658 1.00 0.00 H new ATOM 0 HE22 GLN A3295 8.261 5.797 -8.262 1.00 0.00 H new ATOM 949 N ASP A3296 5.291 0.271 -5.713 1.00 0.00 N ATOM 950 CA ASP A3296 4.287 -0.767 -5.482 1.00 0.00 C ATOM 951 C ASP A3296 2.967 -0.170 -5.004 1.00 0.00 C ATOM 952 O ASP A3296 1.913 -0.751 -5.240 1.00 0.00 O ATOM 953 CB ASP A3296 4.739 -1.772 -4.416 1.00 0.00 C ATOM 954 CG ASP A3296 5.880 -2.673 -4.862 1.00 0.00 C ATOM 955 OD1 ASP A3296 5.917 -3.095 -6.034 1.00 0.00 O ATOM 956 OD2 ASP A3296 6.747 -2.990 -4.018 1.00 0.00 O ATOM 0 H ASP A3296 5.951 0.379 -4.943 1.00 0.00 H new ATOM 0 HA ASP A3296 4.156 -1.269 -6.441 1.00 0.00 H new ATOM 0 HB2 ASP A3296 5.047 -1.226 -3.524 1.00 0.00 H new ATOM 0 HB3 ASP A3296 3.889 -2.392 -4.132 1.00 0.00 H new ATOM 961 N ILE A3297 3.030 0.977 -4.319 1.00 0.00 N ATOM 962 CA ILE A3297 1.900 1.698 -3.731 1.00 0.00 C ATOM 963 C ILE A3297 0.835 1.948 -4.778 1.00 0.00 C ATOM 964 O ILE A3297 -0.341 1.694 -4.541 1.00 0.00 O ATOM 965 CB ILE A3297 2.403 2.998 -3.035 1.00 0.00 C ATOM 966 CG1 ILE A3297 2.262 2.966 -1.500 1.00 0.00 C ATOM 967 CG2 ILE A3297 1.805 4.314 -3.564 1.00 0.00 C ATOM 968 CD1 ILE A3297 2.999 1.785 -0.879 1.00 0.00 C ATOM 0 H ILE A3297 3.918 1.451 -4.152 1.00 0.00 H new ATOM 0 HA ILE A3297 1.431 1.091 -2.957 1.00 0.00 H new ATOM 0 HB ILE A3297 3.459 2.998 -3.305 1.00 0.00 H new ATOM 0 HG12 ILE A3297 2.650 3.895 -1.082 1.00 0.00 H new ATOM 0 HG13 ILE A3297 1.206 2.913 -1.235 1.00 0.00 H new ATOM 0 HG21 ILE A3297 2.224 5.153 -3.009 1.00 0.00 H new ATOM 0 HG22 ILE A3297 2.044 4.423 -4.622 1.00 0.00 H new ATOM 0 HG23 ILE A3297 0.723 4.299 -3.436 1.00 0.00 H new ATOM 0 HD11 ILE A3297 2.871 1.805 0.203 1.00 0.00 H new ATOM 0 HD12 ILE A3297 2.594 0.854 -1.276 1.00 0.00 H new ATOM 0 HD13 ILE A3297 4.060 1.851 -1.120 1.00 0.00 H new ATOM 980 N GLU A3298 1.260 2.445 -5.931 1.00 0.00 N ATOM 981 CA GLU A3298 0.374 2.755 -7.026 1.00 0.00 C ATOM 982 C GLU A3298 -0.265 1.473 -7.539 1.00 0.00 C ATOM 983 O GLU A3298 -1.467 1.425 -7.750 1.00 0.00 O ATOM 984 CB GLU A3298 1.132 3.537 -8.104 1.00 0.00 C ATOM 985 CG GLU A3298 2.515 2.971 -8.458 1.00 0.00 C ATOM 986 CD GLU A3298 3.089 3.646 -9.695 1.00 0.00 C ATOM 987 OE1 GLU A3298 3.731 4.710 -9.534 1.00 0.00 O ATOM 988 OE2 GLU A3298 2.886 3.147 -10.822 1.00 0.00 O ATOM 0 H GLU A3298 2.241 2.644 -6.127 1.00 0.00 H new ATOM 0 HA GLU A3298 -0.439 3.401 -6.694 1.00 0.00 H new ATOM 0 HB2 GLU A3298 0.524 3.564 -9.008 1.00 0.00 H new ATOM 0 HB3 GLU A3298 1.252 4.567 -7.769 1.00 0.00 H new ATOM 0 HG2 GLU A3298 3.194 3.111 -7.617 1.00 0.00 H new ATOM 0 HG3 GLU A3298 2.438 1.897 -8.630 1.00 0.00 H new ATOM 995 N SER A3299 0.523 0.417 -7.690 1.00 0.00 N ATOM 996 CA SER A3299 0.047 -0.864 -8.196 1.00 0.00 C ATOM 997 C SER A3299 -1.019 -1.457 -7.278 1.00 0.00 C ATOM 998 O SER A3299 -2.043 -1.960 -7.746 1.00 0.00 O ATOM 999 CB SER A3299 1.252 -1.802 -8.382 1.00 0.00 C ATOM 1000 OG SER A3299 0.910 -3.122 -8.772 1.00 0.00 O ATOM 0 H SER A3299 1.517 0.425 -7.463 1.00 0.00 H new ATOM 0 HA SER A3299 -0.434 -0.725 -9.164 1.00 0.00 H new ATOM 0 HB2 SER A3299 1.917 -1.375 -9.132 1.00 0.00 H new ATOM 0 HB3 SER A3299 1.811 -1.845 -7.447 1.00 0.00 H new ATOM 0 HG SER A3299 1.726 -3.656 -8.871 1.00 0.00 H new ATOM 1006 N VAL A3300 -0.803 -1.419 -5.969 1.00 0.00 N ATOM 1007 CA VAL A3300 -1.749 -1.986 -5.023 1.00 0.00 C ATOM 1008 C VAL A3300 -2.957 -1.072 -4.860 1.00 0.00 C ATOM 1009 O VAL A3300 -4.090 -1.540 -4.783 1.00 0.00 O ATOM 1010 CB VAL A3300 -1.019 -2.332 -3.712 1.00 0.00 C ATOM 1011 CG1 VAL A3300 -0.535 -1.118 -2.911 1.00 0.00 C ATOM 1012 CG2 VAL A3300 -1.921 -3.179 -2.827 1.00 0.00 C ATOM 0 H VAL A3300 0.022 -1.000 -5.540 1.00 0.00 H new ATOM 0 HA VAL A3300 -2.156 -2.924 -5.400 1.00 0.00 H new ATOM 0 HB VAL A3300 -0.125 -2.879 -4.013 1.00 0.00 H new ATOM 0 HG11 VAL A3300 -0.033 -1.457 -2.005 1.00 0.00 H new ATOM 0 HG12 VAL A3300 0.161 -0.537 -3.516 1.00 0.00 H new ATOM 0 HG13 VAL A3300 -1.389 -0.496 -2.642 1.00 0.00 H new ATOM 0 HG21 VAL A3300 -1.399 -3.421 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A3300 -2.830 -2.624 -2.597 1.00 0.00 H new ATOM 0 HG23 VAL A3300 -2.181 -4.100 -3.348 1.00 0.00 H new ATOM 1022 N GLN A3301 -2.765 0.245 -4.829 1.00 0.00 N ATOM 1023 CA GLN A3301 -3.885 1.153 -4.664 1.00 0.00 C ATOM 1024 C GLN A3301 -4.759 1.201 -5.919 1.00 0.00 C ATOM 1025 O GLN A3301 -5.961 1.408 -5.780 1.00 0.00 O ATOM 1026 CB GLN A3301 -3.415 2.498 -4.125 1.00 0.00 C ATOM 1027 CG GLN A3301 -2.764 3.431 -5.143 1.00 0.00 C ATOM 1028 CD GLN A3301 -3.634 4.657 -5.391 1.00 0.00 C ATOM 1029 OE1 GLN A3301 -4.860 4.462 -5.842 1.00 0.00 O flip ATOM 1030 NE2 GLN A3301 -3.248 5.774 -5.064 1.00 0.00 N flip ATOM 0 H GLN A3301 -1.855 0.698 -4.915 1.00 0.00 H new ATOM 0 HA GLN A3301 -4.558 0.771 -3.897 1.00 0.00 H new ATOM 0 HB2 GLN A3301 -4.270 3.011 -3.685 1.00 0.00 H new ATOM 0 HB3 GLN A3301 -2.703 2.317 -3.319 1.00 0.00 H new ATOM 0 HG2 GLN A3301 -1.784 3.743 -4.782 1.00 0.00 H new ATOM 0 HG3 GLN A3301 -2.604 2.898 -6.080 1.00 0.00 H new ATOM 0 HE21 GLN A3301 -2.297 5.904 -4.718 1.00 0.00 H new ATOM 0 HE22 GLN A3301 -3.878 6.573 -5.138 1.00 0.00 H new ATOM 1039 N LYS A3302 -4.188 1.005 -7.116 1.00 0.00 N ATOM 1040 CA LYS A3302 -4.881 0.986 -8.412 1.00 0.00 C ATOM 1041 C LYS A3302 -5.970 -0.085 -8.434 1.00 0.00 C ATOM 1042 O LYS A3302 -6.930 0.021 -9.204 1.00 0.00 O ATOM 1043 CB LYS A3302 -3.892 0.753 -9.567 1.00 0.00 C ATOM 1044 CG LYS A3302 -3.286 2.069 -10.086 1.00 0.00 C ATOM 1045 CD LYS A3302 -2.021 1.821 -10.922 1.00 0.00 C ATOM 1046 CE LYS A3302 -2.301 1.182 -12.287 1.00 0.00 C ATOM 1047 NZ LYS A3302 -2.756 2.146 -13.304 1.00 0.00 N ATOM 0 H LYS A3302 -3.185 0.848 -7.211 1.00 0.00 H new ATOM 0 HA LYS A3302 -5.348 1.962 -8.547 1.00 0.00 H new ATOM 0 HB2 LYS A3302 -3.092 0.094 -9.231 1.00 0.00 H new ATOM 0 HB3 LYS A3302 -4.403 0.243 -10.384 1.00 0.00 H new ATOM 0 HG2 LYS A3302 -4.024 2.596 -10.690 1.00 0.00 H new ATOM 0 HG3 LYS A3302 -3.044 2.716 -9.243 1.00 0.00 H new ATOM 0 HD2 LYS A3302 -1.504 2.769 -11.073 1.00 0.00 H new ATOM 0 HD3 LYS A3302 -1.345 1.176 -10.360 1.00 0.00 H new ATOM 0 HE2 LYS A3302 -1.395 0.691 -12.642 1.00 0.00 H new ATOM 0 HE3 LYS A3302 -3.058 0.407 -12.168 1.00 0.00 H new ATOM 0 HZ1 LYS A3302 -2.927 1.649 -14.201 1.00 0.00 H new ATOM 0 HZ2 LYS A3302 -3.637 2.597 -12.985 1.00 0.00 H new ATOM 0 HZ3 LYS A3302 -2.026 2.873 -13.445 1.00 0.00 H new ATOM 1061 N GLU A3303 -5.796 -1.148 -7.649 1.00 0.00 N ATOM 1062 CA GLU A3303 -6.773 -2.226 -7.582 1.00 0.00 C ATOM 1063 C GLU A3303 -7.969 -1.770 -6.734 1.00 0.00 C ATOM 1064 O GLU A3303 -9.119 -1.898 -7.139 1.00 0.00 O ATOM 1065 CB GLU A3303 -6.074 -3.534 -7.136 1.00 0.00 C ATOM 1066 CG GLU A3303 -6.106 -3.803 -5.626 1.00 0.00 C ATOM 1067 CD GLU A3303 -5.010 -4.720 -5.042 1.00 0.00 C ATOM 1068 OE1 GLU A3303 -3.938 -4.939 -5.657 1.00 0.00 O ATOM 1069 OE2 GLU A3303 -5.214 -5.215 -3.904 1.00 0.00 O ATOM 0 H GLU A3303 -4.982 -1.283 -7.049 1.00 0.00 H new ATOM 0 HA GLU A3303 -7.195 -2.463 -8.559 1.00 0.00 H new ATOM 0 HB2 GLU A3303 -6.544 -4.373 -7.649 1.00 0.00 H new ATOM 0 HB3 GLU A3303 -5.034 -3.502 -7.462 1.00 0.00 H new ATOM 0 HG2 GLU A3303 -6.051 -2.843 -5.112 1.00 0.00 H new ATOM 0 HG3 GLU A3303 -7.075 -4.239 -5.383 1.00 0.00 H new ATOM 1076 N LEU A3304 -7.703 -1.114 -5.604 1.00 0.00 N ATOM 1077 CA LEU A3304 -8.701 -0.643 -4.666 1.00 0.00 C ATOM 1078 C LEU A3304 -9.452 0.626 -5.046 1.00 0.00 C ATOM 1079 O LEU A3304 -10.610 0.766 -4.676 1.00 0.00 O ATOM 1080 CB LEU A3304 -7.988 -0.355 -3.352 1.00 0.00 C ATOM 1081 CG LEU A3304 -7.344 -1.554 -2.636 1.00 0.00 C ATOM 1082 CD1 LEU A3304 -7.095 -1.125 -1.194 1.00 0.00 C ATOM 1083 CD2 LEU A3304 -8.198 -2.825 -2.638 1.00 0.00 C ATOM 0 H LEU A3304 -6.751 -0.892 -5.314 1.00 0.00 H new ATOM 0 HA LEU A3304 -9.452 -1.432 -4.627 1.00 0.00 H new ATOM 0 HB2 LEU A3304 -7.210 0.385 -3.542 1.00 0.00 H new ATOM 0 HB3 LEU A3304 -8.704 0.103 -2.670 1.00 0.00 H new ATOM 0 HG LEU A3304 -6.432 -1.813 -3.173 1.00 0.00 H new ATOM 0 HD11 LEU A3304 -6.637 -1.947 -0.644 1.00 0.00 H new ATOM 0 HD12 LEU A3304 -6.428 -0.263 -1.181 1.00 0.00 H new ATOM 0 HD13 LEU A3304 -8.042 -0.858 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A3304 -7.669 -3.620 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A3304 -9.146 -2.627 -2.137 1.00 0.00 H new ATOM 0 HD23 LEU A3304 -8.388 -3.134 -3.666 1.00 0.00 H new ATOM 1095 N GLU A3305 -8.822 1.570 -5.734 1.00 0.00 N ATOM 1096 CA GLU A3305 -9.446 2.834 -6.146 1.00 0.00 C ATOM 1097 C GLU A3305 -10.669 2.649 -7.043 1.00 0.00 C ATOM 1098 O GLU A3305 -11.377 3.628 -7.289 1.00 0.00 O ATOM 1099 CB GLU A3305 -8.417 3.738 -6.839 1.00 0.00 C ATOM 1100 CG GLU A3305 -7.868 3.036 -8.084 1.00 0.00 C ATOM 1101 CD GLU A3305 -6.902 3.890 -8.911 1.00 0.00 C ATOM 1102 OE1 GLU A3305 -7.004 3.854 -10.157 1.00 0.00 O ATOM 1103 OE2 GLU A3305 -5.984 4.515 -8.336 1.00 0.00 O ATOM 0 H GLU A3305 -7.849 1.484 -6.029 1.00 0.00 H new ATOM 0 HA GLU A3305 -9.802 3.308 -5.231 1.00 0.00 H new ATOM 0 HB2 GLU A3305 -8.880 4.685 -7.118 1.00 0.00 H new ATOM 0 HB3 GLU A3305 -7.603 3.971 -6.153 1.00 0.00 H new ATOM 0 HG2 GLU A3305 -7.357 2.123 -7.777 1.00 0.00 H new ATOM 0 HG3 GLU A3305 -8.703 2.736 -8.717 1.00 0.00 H new ATOM 1110 N ASN A3306 -10.880 1.436 -7.563 1.00 0.00 N ATOM 1111 CA ASN A3306 -12.009 1.110 -8.415 1.00 0.00 C ATOM 1112 C ASN A3306 -12.963 0.106 -7.758 1.00 0.00 C ATOM 1113 O ASN A3306 -13.938 -0.288 -8.401 1.00 0.00 O ATOM 1114 CB ASN A3306 -11.542 0.743 -9.829 1.00 0.00 C ATOM 1115 CG ASN A3306 -11.143 -0.707 -10.012 1.00 0.00 C ATOM 1116 OD1 ASN A3306 -11.957 -1.551 -10.367 1.00 0.00 O ATOM 1117 ND2 ASN A3306 -9.869 -1.017 -9.866 1.00 0.00 N ATOM 0 H ASN A3306 -10.257 0.646 -7.396 1.00 0.00 H new ATOM 0 HA ASN A3306 -12.622 2.003 -8.540 1.00 0.00 H new ATOM 0 HB2 ASN A3306 -12.342 0.976 -10.532 1.00 0.00 H new ATOM 0 HB3 ASN A3306 -10.693 1.374 -10.091 1.00 0.00 H new ATOM 0 HD21 ASN A3306 -9.551 -1.969 -10.049 1.00 0.00 H new ATOM 0 HD22 ASN A3306 -9.202 -0.305 -9.570 1.00 0.00 H new ATOM 1124 N LEU A3307 -12.679 -0.348 -6.527 1.00 0.00 N ATOM 1125 CA LEU A3307 -13.546 -1.275 -5.801 1.00 0.00 C ATOM 1126 C LEU A3307 -14.643 -0.469 -5.104 1.00 0.00 C ATOM 1127 O LEU A3307 -14.451 0.703 -4.787 1.00 0.00 O ATOM 1128 CB LEU A3307 -12.744 -2.084 -4.757 1.00 0.00 C ATOM 1129 CG LEU A3307 -12.560 -3.602 -4.974 1.00 0.00 C ATOM 1130 CD1 LEU A3307 -13.458 -4.234 -6.032 1.00 0.00 C ATOM 1131 CD2 LEU A3307 -11.118 -3.970 -5.282 1.00 0.00 C ATOM 0 H LEU A3307 -11.841 -0.080 -6.011 1.00 0.00 H new ATOM 0 HA LEU A3307 -13.984 -1.982 -6.505 1.00 0.00 H new ATOM 0 HB2 LEU A3307 -11.752 -1.638 -4.685 1.00 0.00 H new ATOM 0 HB3 LEU A3307 -13.227 -1.945 -3.790 1.00 0.00 H new ATOM 0 HG LEU A3307 -12.866 -4.017 -4.013 1.00 0.00 H new ATOM 0 HD11 LEU A3307 -13.244 -5.301 -6.101 1.00 0.00 H new ATOM 0 HD12 LEU A3307 -14.503 -4.090 -5.756 1.00 0.00 H new ATOM 0 HD13 LEU A3307 -13.270 -3.763 -6.997 1.00 0.00 H new ATOM 0 HD21 LEU A3307 -11.040 -5.048 -5.426 1.00 0.00 H new ATOM 0 HD22 LEU A3307 -10.798 -3.458 -6.190 1.00 0.00 H new ATOM 0 HD23 LEU A3307 -10.480 -3.668 -4.451 1.00 0.00 H new ATOM 1143 N SER A3308 -15.782 -1.105 -4.840 1.00 0.00 N ATOM 1144 CA SER A3308 -16.919 -0.479 -4.177 1.00 0.00 C ATOM 1145 C SER A3308 -16.670 -0.330 -2.678 1.00 0.00 C ATOM 1146 O SER A3308 -15.785 -0.973 -2.123 1.00 0.00 O ATOM 1147 CB SER A3308 -18.150 -1.367 -4.383 1.00 0.00 C ATOM 1148 OG SER A3308 -18.489 -1.435 -5.750 1.00 0.00 O ATOM 0 H SER A3308 -15.941 -2.082 -5.085 1.00 0.00 H new ATOM 0 HA SER A3308 -17.071 0.512 -4.604 1.00 0.00 H new ATOM 0 HB2 SER A3308 -17.951 -2.369 -4.002 1.00 0.00 H new ATOM 0 HB3 SER A3308 -18.991 -0.971 -3.813 1.00 0.00 H new ATOM 0 HG SER A3308 -19.276 -2.007 -5.864 1.00 0.00 H new ATOM 1154 N GLU A3309 -17.483 0.467 -1.977 1.00 0.00 N ATOM 1155 CA GLU A3309 -17.347 0.619 -0.537 1.00 0.00 C ATOM 1156 C GLU A3309 -17.530 -0.758 0.054 1.00 0.00 C ATOM 1157 O GLU A3309 -16.708 -1.179 0.820 1.00 0.00 O ATOM 1158 CB GLU A3309 -18.482 1.494 0.027 1.00 0.00 C ATOM 1159 CG GLU A3309 -18.109 2.958 0.239 1.00 0.00 C ATOM 1160 CD GLU A3309 -19.336 3.875 0.162 1.00 0.00 C ATOM 1161 OE1 GLU A3309 -19.604 4.597 1.157 1.00 0.00 O ATOM 1162 OE2 GLU A3309 -20.040 3.857 -0.872 1.00 0.00 O ATOM 0 H GLU A3309 -18.239 1.013 -2.389 1.00 0.00 H new ATOM 0 HA GLU A3309 -16.384 1.073 -0.302 1.00 0.00 H new ATOM 0 HB2 GLU A3309 -19.333 1.444 -0.652 1.00 0.00 H new ATOM 0 HB3 GLU A3309 -18.808 1.074 0.979 1.00 0.00 H new ATOM 0 HG2 GLU A3309 -17.629 3.074 1.211 1.00 0.00 H new ATOM 0 HG3 GLU A3309 -17.381 3.260 -0.514 1.00 0.00 H new ATOM 1169 N GLU A3310 -18.503 -1.522 -0.398 1.00 0.00 N ATOM 1170 CA GLU A3310 -18.845 -2.843 0.083 1.00 0.00 C ATOM 1171 C GLU A3310 -17.637 -3.772 0.103 1.00 0.00 C ATOM 1172 O GLU A3310 -17.655 -4.782 0.790 1.00 0.00 O ATOM 1173 CB GLU A3310 -19.932 -3.362 -0.868 1.00 0.00 C ATOM 1174 CG GLU A3310 -21.171 -2.449 -0.871 1.00 0.00 C ATOM 1175 CD GLU A3310 -22.285 -2.990 -1.754 1.00 0.00 C ATOM 1176 OE1 GLU A3310 -23.433 -3.141 -1.283 1.00 0.00 O ATOM 1177 OE2 GLU A3310 -22.046 -3.141 -2.973 1.00 0.00 O ATOM 0 H GLU A3310 -19.113 -1.218 -1.157 1.00 0.00 H new ATOM 0 HA GLU A3310 -19.197 -2.805 1.114 1.00 0.00 H new ATOM 0 HB2 GLU A3310 -19.529 -3.431 -1.878 1.00 0.00 H new ATOM 0 HB3 GLU A3310 -20.224 -4.370 -0.572 1.00 0.00 H new ATOM 0 HG2 GLU A3310 -21.540 -2.338 0.149 1.00 0.00 H new ATOM 0 HG3 GLU A3310 -20.886 -1.455 -1.217 1.00 0.00 H new ATOM 1184 N GLU A3311 -16.704 -3.550 -0.814 1.00 0.00 N ATOM 1185 CA GLU A3311 -15.480 -4.288 -0.927 1.00 0.00 C ATOM 1186 C GLU A3311 -14.440 -3.760 0.053 1.00 0.00 C ATOM 1187 O GLU A3311 -13.929 -4.487 0.890 1.00 0.00 O ATOM 1188 CB GLU A3311 -15.024 -4.149 -2.381 1.00 0.00 C ATOM 1189 CG GLU A3311 -15.973 -4.885 -3.321 1.00 0.00 C ATOM 1190 CD GLU A3311 -15.510 -6.344 -3.434 1.00 0.00 C ATOM 1191 OE1 GLU A3311 -15.754 -7.141 -2.498 1.00 0.00 O ATOM 1192 OE2 GLU A3311 -14.748 -6.665 -4.373 1.00 0.00 O ATOM 0 H GLU A3311 -16.795 -2.820 -1.520 1.00 0.00 H new ATOM 0 HA GLU A3311 -15.620 -5.339 -0.675 1.00 0.00 H new ATOM 0 HB2 GLU A3311 -14.981 -3.095 -2.654 1.00 0.00 H new ATOM 0 HB3 GLU A3311 -14.016 -4.548 -2.490 1.00 0.00 H new ATOM 0 HG2 GLU A3311 -16.994 -4.840 -2.941 1.00 0.00 H new ATOM 0 HG3 GLU A3311 -15.977 -4.411 -4.303 1.00 0.00 H new ATOM 1199 N LEU A3312 -14.195 -2.447 0.022 1.00 0.00 N ATOM 1200 CA LEU A3312 -13.185 -1.772 0.842 1.00 0.00 C ATOM 1201 C LEU A3312 -13.582 -1.607 2.305 1.00 0.00 C ATOM 1202 O LEU A3312 -12.844 -1.958 3.223 1.00 0.00 O ATOM 1203 CB LEU A3312 -12.871 -0.394 0.241 1.00 0.00 C ATOM 1204 CG LEU A3312 -12.667 -0.401 -1.286 1.00 0.00 C ATOM 1205 CD1 LEU A3312 -13.053 0.959 -1.850 1.00 0.00 C ATOM 1206 CD2 LEU A3312 -11.272 -0.902 -1.648 1.00 0.00 C ATOM 0 H LEU A3312 -14.706 -1.809 -0.588 1.00 0.00 H new ATOM 0 HA LEU A3312 -12.305 -2.415 0.832 1.00 0.00 H new ATOM 0 HB2 LEU A3312 -13.684 0.290 0.484 1.00 0.00 H new ATOM 0 HB3 LEU A3312 -11.972 -0.000 0.714 1.00 0.00 H new ATOM 0 HG LEU A3312 -13.332 -1.118 -1.768 1.00 0.00 H new ATOM 0 HD11 LEU A3312 -12.910 0.959 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A3312 -14.099 1.164 -1.622 1.00 0.00 H new ATOM 0 HD13 LEU A3312 -12.427 1.730 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU A3312 -11.154 -0.897 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A3312 -10.523 -0.250 -1.198 1.00 0.00 H new ATOM 0 HD23 LEU A3312 -11.141 -1.917 -1.273 1.00 0.00 H new ATOM 1218 N LEU A3313 -14.755 -1.027 2.513 1.00 0.00 N ATOM 1219 CA LEU A3313 -15.415 -0.764 3.776 1.00 0.00 C ATOM 1220 C LEU A3313 -15.483 -2.104 4.483 1.00 0.00 C ATOM 1221 O LEU A3313 -15.191 -2.149 5.673 1.00 0.00 O ATOM 1222 CB LEU A3313 -16.814 -0.119 3.524 1.00 0.00 C ATOM 1223 CG LEU A3313 -17.719 0.115 4.757 1.00 0.00 C ATOM 1224 CD1 LEU A3313 -18.468 -1.144 5.222 1.00 0.00 C ATOM 1225 CD2 LEU A3313 -17.040 0.776 5.959 1.00 0.00 C ATOM 0 H LEU A3313 -15.317 -0.700 1.727 1.00 0.00 H new ATOM 0 HA LEU A3313 -14.881 -0.047 4.399 1.00 0.00 H new ATOM 0 HB2 LEU A3313 -16.659 0.841 3.032 1.00 0.00 H new ATOM 0 HB3 LEU A3313 -17.356 -0.753 2.823 1.00 0.00 H new ATOM 0 HG LEU A3313 -18.441 0.833 4.369 1.00 0.00 H new ATOM 0 HD11 LEU A3313 -19.082 -0.903 6.090 1.00 0.00 H new ATOM 0 HD12 LEU A3313 -19.106 -1.506 4.416 1.00 0.00 H new ATOM 0 HD13 LEU A3313 -17.748 -1.917 5.491 1.00 0.00 H new ATOM 0 HD21 LEU A3313 -17.763 0.893 6.766 1.00 0.00 H new ATOM 0 HD22 LEU A3313 -16.214 0.151 6.299 1.00 0.00 H new ATOM 0 HD23 LEU A3313 -16.659 1.755 5.669 1.00 0.00 H new ATOM 1237 N ALA A3314 -15.786 -3.198 3.776 1.00 0.00 N ATOM 1238 CA ALA A3314 -15.863 -4.479 4.445 1.00 0.00 C ATOM 1239 C ALA A3314 -14.491 -4.954 4.928 1.00 0.00 C ATOM 1240 O ALA A3314 -14.421 -5.732 5.866 1.00 0.00 O ATOM 1241 CB ALA A3314 -16.498 -5.530 3.543 1.00 0.00 C ATOM 0 H ALA A3314 -15.975 -3.215 2.774 1.00 0.00 H new ATOM 0 HA ALA A3314 -16.496 -4.342 5.322 1.00 0.00 H new ATOM 0 HB1 ALA A3314 -16.543 -6.483 4.071 1.00 0.00 H new ATOM 0 HB2 ALA A3314 -17.506 -5.216 3.273 1.00 0.00 H new ATOM 0 HB3 ALA A3314 -15.899 -5.644 2.639 1.00 0.00 H new ATOM 1247 N MET A3315 -13.377 -4.550 4.322 1.00 0.00 N ATOM 1248 CA MET A3315 -12.047 -5.003 4.749 1.00 0.00 C ATOM 1249 C MET A3315 -11.644 -4.316 6.044 1.00 0.00 C ATOM 1250 O MET A3315 -11.293 -4.959 7.032 1.00 0.00 O ATOM 1251 CB MET A3315 -10.979 -4.690 3.692 1.00 0.00 C ATOM 1252 CG MET A3315 -11.433 -4.971 2.266 1.00 0.00 C ATOM 1253 SD MET A3315 -10.332 -5.957 1.227 1.00 0.00 S ATOM 1254 CE MET A3315 -11.243 -5.855 -0.338 1.00 0.00 C ATOM 0 H MET A3315 -13.365 -3.907 3.530 1.00 0.00 H new ATOM 0 HA MET A3315 -12.109 -6.082 4.892 1.00 0.00 H new ATOM 0 HB2 MET A3315 -10.695 -3.641 3.774 1.00 0.00 H new ATOM 0 HB3 MET A3315 -10.087 -5.279 3.903 1.00 0.00 H new ATOM 0 HG2 MET A3315 -12.397 -5.478 2.312 1.00 0.00 H new ATOM 0 HG3 MET A3315 -11.599 -4.015 1.770 1.00 0.00 H new ATOM 0 HE1 MET A3315 -10.708 -6.412 -1.107 1.00 0.00 H new ATOM 0 HE2 MET A3315 -12.238 -6.280 -0.208 1.00 0.00 H new ATOM 0 HE3 MET A3315 -11.331 -4.812 -0.640 1.00 0.00 H new ATOM 1264 N LEU A3316 -11.667 -2.982 6.027 1.00 0.00 N ATOM 1265 CA LEU A3316 -11.308 -2.147 7.165 1.00 0.00 C ATOM 1266 C LEU A3316 -12.279 -2.356 8.329 1.00 0.00 C ATOM 1267 O LEU A3316 -11.859 -2.296 9.486 1.00 0.00 O ATOM 1268 CB LEU A3316 -11.239 -0.663 6.755 1.00 0.00 C ATOM 1269 CG LEU A3316 -12.507 -0.119 6.060 1.00 0.00 C ATOM 1270 CD1 LEU A3316 -13.475 0.568 7.036 1.00 0.00 C ATOM 1271 CD2 LEU A3316 -12.145 0.923 4.999 1.00 0.00 C ATOM 0 H LEU A3316 -11.942 -2.446 5.204 1.00 0.00 H new ATOM 0 HA LEU A3316 -10.317 -2.447 7.505 1.00 0.00 H new ATOM 0 HB2 LEU A3316 -11.045 -0.064 7.645 1.00 0.00 H new ATOM 0 HB3 LEU A3316 -10.389 -0.525 6.087 1.00 0.00 H new ATOM 0 HG LEU A3316 -12.988 -0.992 5.619 1.00 0.00 H new ATOM 0 HD11 LEU A3316 -14.346 0.930 6.490 1.00 0.00 H new ATOM 0 HD12 LEU A3316 -13.793 -0.146 7.796 1.00 0.00 H new ATOM 0 HD13 LEU A3316 -12.973 1.408 7.515 1.00 0.00 H new ATOM 0 HD21 LEU A3316 -13.055 1.290 4.524 1.00 0.00 H new ATOM 0 HD22 LEU A3316 -11.620 1.754 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A3316 -11.502 0.467 4.246 1.00 0.00 H new ATOM 1283 N ASN A3317 -13.563 -2.604 8.040 1.00 0.00 N ATOM 1284 CA ASN A3317 -14.566 -2.817 9.084 1.00 0.00 C ATOM 1285 C ASN A3317 -14.553 -4.257 9.570 1.00 0.00 C ATOM 1286 O ASN A3317 -14.864 -4.520 10.728 1.00 0.00 O ATOM 1287 CB ASN A3317 -15.976 -2.509 8.571 1.00 0.00 C ATOM 1288 CG ASN A3317 -16.855 -2.040 9.709 1.00 0.00 C ATOM 1289 OD1 ASN A3317 -17.258 -2.768 10.607 1.00 0.00 O ATOM 1290 ND2 ASN A3317 -17.107 -0.747 9.721 1.00 0.00 N ATOM 0 H ASN A3317 -13.929 -2.662 7.090 1.00 0.00 H new ATOM 0 HA ASN A3317 -14.312 -2.143 9.902 1.00 0.00 H new ATOM 0 HB2 ASN A3317 -15.930 -1.742 7.798 1.00 0.00 H new ATOM 0 HB3 ASN A3317 -16.407 -3.399 8.112 1.00 0.00 H new ATOM 0 HD21 ASN A3317 -17.645 -0.339 10.486 1.00 0.00 H new ATOM 0 HD22 ASN A3317 -16.764 -0.154 8.965 1.00 0.00 H new ATOM 1297 N GLY A3318 -14.115 -5.165 8.705 1.00 0.00 N ATOM 1298 CA GLY A3318 -14.026 -6.595 8.972 1.00 0.00 C ATOM 1299 C GLY A3318 -14.995 -7.382 8.091 1.00 0.00 C ATOM 1300 O GLY A3318 -14.579 -8.376 7.490 1.00 0.00 O ATOM 0 H GLY A3318 -13.802 -4.917 7.767 1.00 0.00 H new ATOM 0 HA2 GLY A3318 -13.007 -6.938 8.793 1.00 0.00 H new ATOM 0 HA3 GLY A3318 -14.247 -6.786 10.022 1.00 0.00 H new