USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=9 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 19 LYS NZ :NH3+ -179:sc= 0 (180deg=0) USER MOD Set 1.2: A3315 MET CE :methyl -162:sc= -0.0135 (180deg=-0.195) USER MOD Single : A 4 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.003) USER MOD Single : A 6 GLN : amide:sc= -0.81 K(o=-0.81,f=-1.4) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0.133 K(o=0.13,f=-1.6) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.14) USER MOD Single : A 26 ASN : amide:sc= 0.606 K(o=0.61,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A3291 THR OG1 : rot -42:sc= 0.404 USER MOD Single : A3295 GLN : amide:sc= -0.0378 X(o=-0.038,f=-0.33) USER MOD Single : A3299 SER OG : rot 180:sc= 0 USER MOD Single : A3301 GLN :FLIP amide:sc= -0.02 F(o=-1.6!,f=-0.02) USER MOD Single : A3302 LYS NZ :NH3+ 164:sc= -0.0223 (180deg=-0.303) USER MOD Single : A3306 ASN : amide:sc= 0.927 K(o=0.93,f=0) USER MOD Single : A3308 SER OG : rot 180:sc= 0 USER MOD Single : A3317 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 32 N ILE A 3 -24.284 10.456 -1.663 1.00 0.00 N ATOM 33 CA ILE A 3 -23.473 9.716 -2.616 1.00 0.00 C ATOM 34 C ILE A 3 -23.036 8.409 -1.954 1.00 0.00 C ATOM 35 O ILE A 3 -23.185 8.240 -0.737 1.00 0.00 O ATOM 36 CB ILE A 3 -22.305 10.633 -3.069 1.00 0.00 C ATOM 37 CG1 ILE A 3 -21.783 10.241 -4.462 1.00 0.00 C ATOM 38 CG2 ILE A 3 -21.172 10.721 -2.029 1.00 0.00 C ATOM 39 CD1 ILE A 3 -21.103 11.403 -5.186 1.00 0.00 C ATOM 0 HA ILE A 3 -24.017 9.439 -3.519 1.00 0.00 H new ATOM 0 HB ILE A 3 -22.717 11.639 -3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -21.076 9.417 -4.362 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -22.613 9.877 -5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -20.385 11.376 -2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -21.566 11.123 -1.095 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -20.763 9.726 -1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -20.754 11.069 -6.163 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -21.815 12.218 -5.314 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -20.254 11.751 -4.598 1.00 0.00 H new ATOM 51 N ASN A 4 -22.482 7.502 -2.749 1.00 0.00 N ATOM 52 CA ASN A 4 -21.976 6.193 -2.357 1.00 0.00 C ATOM 53 C ASN A 4 -20.688 5.932 -3.134 1.00 0.00 C ATOM 54 O ASN A 4 -19.665 5.693 -2.503 1.00 0.00 O ATOM 55 CB ASN A 4 -23.035 5.084 -2.503 1.00 0.00 C ATOM 56 CG ASN A 4 -23.684 5.063 -3.870 1.00 0.00 C ATOM 57 OD1 ASN A 4 -24.653 5.788 -4.117 1.00 0.00 O ATOM 58 ND2 ASN A 4 -23.101 4.351 -4.809 1.00 0.00 N ATOM 0 H ASN A 4 -22.367 7.672 -3.748 1.00 0.00 H new ATOM 0 HA ASN A 4 -21.743 6.184 -1.292 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -22.569 4.117 -2.313 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -23.805 5.222 -1.743 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -23.448 4.390 -5.768 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -22.302 3.760 -4.579 1.00 0.00 H new ATOM 65 N GLU A 5 -20.670 6.142 -4.454 1.00 0.00 N ATOM 66 CA GLU A 5 -19.499 5.923 -5.312 1.00 0.00 C ATOM 67 C GLU A 5 -18.323 6.785 -4.846 1.00 0.00 C ATOM 68 O GLU A 5 -17.174 6.352 -4.845 1.00 0.00 O ATOM 69 CB GLU A 5 -19.842 6.244 -6.774 1.00 0.00 C ATOM 70 CG GLU A 5 -20.760 5.187 -7.396 1.00 0.00 C ATOM 71 CD GLU A 5 -21.120 5.536 -8.841 1.00 0.00 C ATOM 72 OE1 GLU A 5 -21.633 6.649 -9.087 1.00 0.00 O ATOM 73 OE2 GLU A 5 -20.919 4.710 -9.760 1.00 0.00 O ATOM 0 H GLU A 5 -21.486 6.476 -4.967 1.00 0.00 H new ATOM 0 HA GLU A 5 -19.211 4.874 -5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -20.325 7.220 -6.827 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -18.922 6.312 -7.355 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -20.268 4.215 -7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -21.671 5.101 -6.804 1.00 0.00 H new ATOM 80 N GLN A 6 -18.589 8.031 -4.466 1.00 0.00 N ATOM 81 CA GLN A 6 -17.530 8.911 -3.969 1.00 0.00 C ATOM 82 C GLN A 6 -17.179 8.556 -2.520 1.00 0.00 C ATOM 83 O GLN A 6 -16.094 8.908 -2.061 1.00 0.00 O ATOM 84 CB GLN A 6 -17.855 10.396 -4.122 1.00 0.00 C ATOM 85 CG GLN A 6 -17.670 10.878 -5.572 1.00 0.00 C ATOM 86 CD GLN A 6 -17.998 12.363 -5.715 1.00 0.00 C ATOM 87 OE1 GLN A 6 -17.828 13.152 -4.786 1.00 0.00 O ATOM 88 NE2 GLN A 6 -18.508 12.802 -6.845 1.00 0.00 N ATOM 0 H GLN A 6 -19.517 8.453 -4.491 1.00 0.00 H new ATOM 0 HA GLN A 6 -16.655 8.739 -4.595 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -18.883 10.577 -3.808 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -17.213 10.978 -3.461 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.642 10.699 -5.887 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -18.312 10.297 -6.234 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -18.654 12.158 -7.623 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -18.758 13.786 -6.944 1.00 0.00 H new ATOM 97 N THR A 7 -18.108 7.990 -1.739 1.00 0.00 N ATOM 98 CA THR A 7 -17.817 7.616 -0.361 1.00 0.00 C ATOM 99 C THR A 7 -16.813 6.471 -0.332 1.00 0.00 C ATOM 100 O THR A 7 -15.962 6.490 0.546 1.00 0.00 O ATOM 101 CB THR A 7 -19.080 7.217 0.400 1.00 0.00 C ATOM 102 OG1 THR A 7 -19.987 8.305 0.437 1.00 0.00 O ATOM 103 CG2 THR A 7 -18.751 6.809 1.837 1.00 0.00 C ATOM 0 H THR A 7 -19.060 7.784 -2.041 1.00 0.00 H new ATOM 0 HA THR A 7 -17.393 8.490 0.134 1.00 0.00 H new ATOM 0 HB THR A 7 -19.527 6.369 -0.120 1.00 0.00 H new ATOM 0 HG1 THR A 7 -20.795 8.041 0.925 1.00 0.00 H new ATOM 0 HG21 THR A 7 -19.668 6.530 2.355 1.00 0.00 H new ATOM 0 HG22 THR A 7 -18.068 5.960 1.827 1.00 0.00 H new ATOM 0 HG23 THR A 7 -18.282 7.646 2.355 1.00 0.00 H new ATOM 111 N LEU A 8 -16.804 5.549 -1.301 1.00 0.00 N ATOM 112 CA LEU A 8 -15.865 4.428 -1.342 1.00 0.00 C ATOM 113 C LEU A 8 -14.453 4.998 -1.226 1.00 0.00 C ATOM 114 O LEU A 8 -13.589 4.328 -0.688 1.00 0.00 O ATOM 115 CB LEU A 8 -15.939 3.668 -2.675 1.00 0.00 C ATOM 116 CG LEU A 8 -17.307 3.488 -3.345 1.00 0.00 C ATOM 117 CD1 LEU A 8 -17.181 2.722 -4.659 1.00 0.00 C ATOM 118 CD2 LEU A 8 -18.338 2.820 -2.461 1.00 0.00 C ATOM 0 H LEU A 8 -17.456 5.562 -2.085 1.00 0.00 H new ATOM 0 HA LEU A 8 -16.114 3.743 -0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -15.288 4.180 -3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -15.517 2.676 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 8 -17.666 4.499 -3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -18.167 2.610 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -16.530 3.271 -5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -16.756 1.737 -4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -19.278 2.728 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -17.985 1.829 -2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -18.494 3.421 -1.565 1.00 0.00 H new ATOM 130 N ASP A 9 -14.204 6.228 -1.693 1.00 0.00 N ATOM 131 CA ASP A 9 -12.899 6.877 -1.624 1.00 0.00 C ATOM 132 C ASP A 9 -12.340 6.866 -0.202 1.00 0.00 C ATOM 133 O ASP A 9 -11.169 6.537 -0.010 1.00 0.00 O ATOM 134 CB ASP A 9 -12.951 8.326 -2.105 1.00 0.00 C ATOM 135 CG ASP A 9 -11.527 8.876 -2.109 1.00 0.00 C ATOM 136 OD1 ASP A 9 -11.141 9.584 -1.151 1.00 0.00 O ATOM 137 OD2 ASP A 9 -10.760 8.502 -3.026 1.00 0.00 O ATOM 0 H ASP A 9 -14.919 6.805 -2.136 1.00 0.00 H new ATOM 0 HA ASP A 9 -12.248 6.302 -2.282 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.383 8.380 -3.104 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.587 8.922 -1.450 1.00 0.00 H new ATOM 142 N LYS A 10 -13.149 7.210 0.810 1.00 0.00 N ATOM 143 CA LYS A 10 -12.665 7.198 2.196 1.00 0.00 C ATOM 144 C LYS A 10 -12.367 5.761 2.633 1.00 0.00 C ATOM 145 O LYS A 10 -11.656 5.553 3.619 1.00 0.00 O ATOM 146 CB LYS A 10 -13.585 7.955 3.178 1.00 0.00 C ATOM 147 CG LYS A 10 -14.816 7.142 3.571 1.00 0.00 C ATOM 148 CD LYS A 10 -15.854 7.827 4.439 1.00 0.00 C ATOM 149 CE LYS A 10 -15.313 8.068 5.841 1.00 0.00 C ATOM 150 NZ LYS A 10 -16.400 8.347 6.790 1.00 0.00 N ATOM 0 H LYS A 10 -14.122 7.494 0.699 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.731 7.760 2.225 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.021 8.211 4.075 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.903 8.893 2.723 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.307 6.810 2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.477 6.247 4.093 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.143 8.776 3.988 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.753 7.213 4.492 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.753 7.194 6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -14.616 8.906 5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.001 8.507 7.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.918 9.195 6.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -17.051 7.536 6.821 1.00 0.00 H new ATOM 164 N LEU A 11 -13.059 4.780 2.056 1.00 0.00 N ATOM 165 CA LEU A 11 -12.888 3.372 2.361 1.00 0.00 C ATOM 166 C LEU A 11 -11.618 2.831 1.703 1.00 0.00 C ATOM 167 O LEU A 11 -10.753 2.284 2.376 1.00 0.00 O ATOM 168 CB LEU A 11 -14.140 2.553 1.985 1.00 0.00 C ATOM 169 CG LEU A 11 -15.405 2.734 2.849 1.00 0.00 C ATOM 170 CD1 LEU A 11 -15.177 2.687 4.355 1.00 0.00 C ATOM 171 CD2 LEU A 11 -16.174 4.007 2.515 1.00 0.00 C ATOM 0 H LEU A 11 -13.771 4.953 1.346 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.767 3.267 3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.401 2.794 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.868 1.498 2.006 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.998 1.859 2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.127 2.824 4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.751 1.722 4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.489 3.482 4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -17.053 4.079 3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -15.533 4.873 2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -16.486 3.980 1.471 1.00 0.00 H new ATOM 183 N ARG A 12 -11.443 2.980 0.391 1.00 0.00 N ATOM 184 CA ARG A 12 -10.261 2.467 -0.309 1.00 0.00 C ATOM 185 C ARG A 12 -8.979 3.061 0.244 1.00 0.00 C ATOM 186 O ARG A 12 -8.008 2.329 0.426 1.00 0.00 O ATOM 187 CB ARG A 12 -10.380 2.646 -1.830 1.00 0.00 C ATOM 188 CG ARG A 12 -10.852 4.050 -2.226 1.00 0.00 C ATOM 189 CD ARG A 12 -10.218 4.606 -3.492 1.00 0.00 C ATOM 190 NE ARG A 12 -9.663 5.956 -3.306 1.00 0.00 N ATOM 191 CZ ARG A 12 -8.393 6.368 -3.331 1.00 0.00 C ATOM 192 NH1 ARG A 12 -7.386 5.532 -3.568 1.00 0.00 N ATOM 193 NH2 ARG A 12 -8.139 7.651 -3.110 1.00 0.00 N ATOM 0 H ARG A 12 -12.110 3.456 -0.216 1.00 0.00 H new ATOM 0 HA ARG A 12 -10.213 1.394 -0.123 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.412 2.449 -2.292 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.078 1.908 -2.225 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -11.934 4.030 -2.358 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.644 4.733 -1.403 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.425 3.934 -3.821 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.964 4.631 -4.286 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.352 6.687 -3.132 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.573 4.544 -3.738 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.427 5.879 -3.580 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.906 8.298 -2.926 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.177 7.990 -3.124 1.00 0.00 H new ATOM 207 N GLN A 13 -8.965 4.355 0.556 1.00 0.00 N ATOM 208 CA GLN A 13 -7.795 5.015 1.113 1.00 0.00 C ATOM 209 C GLN A 13 -7.468 4.426 2.492 1.00 0.00 C ATOM 210 O GLN A 13 -6.307 4.401 2.897 1.00 0.00 O ATOM 211 CB GLN A 13 -7.988 6.532 1.087 1.00 0.00 C ATOM 212 CG GLN A 13 -9.041 7.019 2.081 1.00 0.00 C ATOM 213 CD GLN A 13 -8.534 7.193 3.510 1.00 0.00 C ATOM 214 OE1 GLN A 13 -7.360 7.455 3.758 1.00 0.00 O ATOM 215 NE2 GLN A 13 -9.397 7.002 4.486 1.00 0.00 N ATOM 0 H GLN A 13 -9.767 4.972 0.428 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.913 4.826 0.501 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.037 7.017 1.307 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.277 6.838 0.082 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.438 7.972 1.732 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.870 6.312 2.087 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.370 6.785 4.271 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.092 7.071 5.457 1.00 0.00 H new ATOM 224 N ALA A 14 -8.488 3.977 3.230 1.00 0.00 N ATOM 225 CA ALA A 14 -8.336 3.371 4.538 1.00 0.00 C ATOM 226 C ALA A 14 -7.736 1.969 4.353 1.00 0.00 C ATOM 227 O ALA A 14 -6.811 1.602 5.078 1.00 0.00 O ATOM 228 CB ALA A 14 -9.699 3.349 5.244 1.00 0.00 C ATOM 0 H ALA A 14 -9.458 4.030 2.920 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.658 3.944 5.171 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.591 2.894 6.229 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.068 4.369 5.354 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.406 2.769 4.652 1.00 0.00 H new ATOM 234 N VAL A 15 -8.211 1.191 3.377 1.00 0.00 N ATOM 235 CA VAL A 15 -7.708 -0.155 3.107 1.00 0.00 C ATOM 236 C VAL A 15 -6.266 -0.096 2.609 1.00 0.00 C ATOM 237 O VAL A 15 -5.406 -0.778 3.167 1.00 0.00 O ATOM 238 CB VAL A 15 -8.612 -0.893 2.103 1.00 0.00 C ATOM 239 CG1 VAL A 15 -8.124 -2.320 1.807 1.00 0.00 C ATOM 240 CG2 VAL A 15 -10.025 -0.997 2.659 1.00 0.00 C ATOM 0 H VAL A 15 -8.960 1.481 2.749 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.724 -0.719 4.040 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.586 -0.314 1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.798 -2.794 1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.119 -2.281 1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.108 -2.898 2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.660 -1.520 1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.006 -1.548 3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.422 0.003 2.833 1.00 0.00 H new ATOM 250 N LEU A 16 -5.967 0.738 1.603 1.00 0.00 N ATOM 251 CA LEU A 16 -4.613 0.840 1.049 1.00 0.00 C ATOM 252 C LEU A 16 -3.568 1.098 2.135 1.00 0.00 C ATOM 253 O LEU A 16 -2.469 0.560 2.042 1.00 0.00 O ATOM 254 CB LEU A 16 -4.541 1.795 -0.162 1.00 0.00 C ATOM 255 CG LEU A 16 -4.550 3.309 0.103 1.00 0.00 C ATOM 256 CD1 LEU A 16 -3.144 3.866 0.337 1.00 0.00 C ATOM 257 CD2 LEU A 16 -5.179 4.039 -1.101 1.00 0.00 C ATOM 0 H LEU A 16 -6.648 1.352 1.157 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.351 -0.134 0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.633 1.560 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.383 1.567 -0.816 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.134 3.476 1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.203 4.939 0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.697 3.375 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.528 3.681 -0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.185 5.113 -0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.595 3.831 -1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.202 3.690 -1.245 1.00 0.00 H new ATOM 269 N GLN A 17 -3.916 1.829 3.205 1.00 0.00 N ATOM 270 CA GLN A 17 -2.980 2.100 4.294 1.00 0.00 C ATOM 271 C GLN A 17 -2.458 0.807 4.933 1.00 0.00 C ATOM 272 O GLN A 17 -1.296 0.772 5.338 1.00 0.00 O ATOM 273 CB GLN A 17 -3.623 3.023 5.338 1.00 0.00 C ATOM 274 CG GLN A 17 -3.504 4.474 4.880 1.00 0.00 C ATOM 275 CD GLN A 17 -4.218 5.472 5.782 1.00 0.00 C ATOM 276 OE1 GLN A 17 -4.289 5.316 7.001 1.00 0.00 O ATOM 277 NE2 GLN A 17 -4.735 6.548 5.220 1.00 0.00 N ATOM 0 H GLN A 17 -4.840 2.241 3.334 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.116 2.613 3.872 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.672 2.759 5.475 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.133 2.894 6.303 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.449 4.741 4.825 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.907 4.559 3.871 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.675 6.675 4.210 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.195 7.253 5.796 1.00 0.00 H new ATOM 286 N LYS A 18 -3.271 -0.252 5.090 1.00 0.00 N ATOM 287 CA LYS A 18 -2.741 -1.483 5.672 1.00 0.00 C ATOM 288 C LYS A 18 -1.899 -2.231 4.637 1.00 0.00 C ATOM 289 O LYS A 18 -0.867 -2.791 4.995 1.00 0.00 O ATOM 290 CB LYS A 18 -3.855 -2.341 6.286 1.00 0.00 C ATOM 291 CG LYS A 18 -4.755 -3.098 5.293 1.00 0.00 C ATOM 292 CD LYS A 18 -6.249 -2.860 5.530 1.00 0.00 C ATOM 293 CE LYS A 18 -6.802 -3.795 6.604 1.00 0.00 C ATOM 294 NZ LYS A 18 -6.698 -3.292 7.990 1.00 0.00 N ATOM 0 H LYS A 18 -4.257 -0.278 4.832 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.080 -1.230 6.501 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.397 -3.068 6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.486 -1.696 6.898 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.502 -2.793 4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.548 -4.166 5.366 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.410 -1.824 5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.795 -3.011 4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.851 -3.994 6.385 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.276 -4.748 6.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.098 -3.994 8.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.698 -3.129 8.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.224 -2.399 8.076 1.00 0.00 H new ATOM 308 N LYS A 19 -2.284 -2.178 3.354 1.00 0.00 N ATOM 309 CA LYS A 19 -1.585 -2.852 2.267 1.00 0.00 C ATOM 310 C LYS A 19 -0.123 -2.424 2.197 1.00 0.00 C ATOM 311 O LYS A 19 0.730 -3.281 1.984 1.00 0.00 O ATOM 312 CB LYS A 19 -2.320 -2.663 0.937 1.00 0.00 C ATOM 313 CG LYS A 19 -3.556 -3.585 0.914 1.00 0.00 C ATOM 314 CD LYS A 19 -4.215 -3.637 -0.465 1.00 0.00 C ATOM 315 CE LYS A 19 -5.538 -4.421 -0.461 1.00 0.00 C ATOM 316 NZ LYS A 19 -5.396 -5.872 -0.217 1.00 0.00 N ATOM 0 H LYS A 19 -3.104 -1.656 3.045 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.584 -3.922 2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.623 -1.623 0.818 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.658 -2.899 0.104 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.262 -4.591 1.212 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.282 -3.235 1.648 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.401 -2.621 -0.813 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.527 -4.096 -1.175 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.191 -4.000 0.303 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.034 -4.275 -1.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.333 -6.323 -0.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.786 -6.289 -0.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.969 -6.027 0.718 1.00 0.00 H new ATOM 330 N ILE A 20 0.202 -1.162 2.506 1.00 0.00 N ATOM 331 CA ILE A 20 1.591 -0.694 2.476 1.00 0.00 C ATOM 332 C ILE A 20 2.432 -1.539 3.444 1.00 0.00 C ATOM 333 O ILE A 20 3.527 -1.990 3.111 1.00 0.00 O ATOM 334 CB ILE A 20 1.716 0.807 2.823 1.00 0.00 C ATOM 335 CG1 ILE A 20 0.612 1.704 2.234 1.00 0.00 C ATOM 336 CG2 ILE A 20 3.100 1.336 2.403 1.00 0.00 C ATOM 337 CD1 ILE A 20 0.377 1.572 0.729 1.00 0.00 C ATOM 0 H ILE A 20 -0.476 -0.450 2.778 1.00 0.00 H new ATOM 0 HA ILE A 20 1.962 -0.812 1.458 1.00 0.00 H new ATOM 0 HB ILE A 20 1.592 0.862 3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.323 1.482 2.749 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.859 2.743 2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.176 2.394 2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.877 0.782 2.930 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.228 1.207 1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.421 2.249 0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.292 1.826 0.194 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.092 0.546 0.494 1.00 0.00 H new ATOM 349 N LYS A 21 1.903 -1.772 4.649 1.00 0.00 N ATOM 350 CA LYS A 21 2.527 -2.556 5.713 1.00 0.00 C ATOM 351 C LYS A 21 2.653 -4.008 5.277 1.00 0.00 C ATOM 352 O LYS A 21 3.543 -4.716 5.743 1.00 0.00 O ATOM 353 CB LYS A 21 1.687 -2.526 6.997 1.00 0.00 C ATOM 354 CG LYS A 21 1.159 -1.129 7.323 1.00 0.00 C ATOM 355 CD LYS A 21 0.305 -1.148 8.588 1.00 0.00 C ATOM 356 CE LYS A 21 -0.507 0.145 8.655 1.00 0.00 C ATOM 357 NZ LYS A 21 0.344 1.334 8.893 1.00 0.00 N ATOM 0 H LYS A 21 0.991 -1.403 4.918 1.00 0.00 H new ATOM 0 HA LYS A 21 3.506 -2.118 5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.847 -3.213 6.893 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.291 -2.885 7.830 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.995 -0.442 7.455 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.568 -0.755 6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.360 -2.011 8.581 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.939 -1.241 9.470 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.056 0.275 7.722 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.247 0.066 9.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.252 2.186 8.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.849 1.225 9.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.034 1.428 8.120 1.00 0.00 H new ATOM 371 N GLU A 22 1.752 -4.490 4.425 1.00 0.00 N ATOM 372 CA GLU A 22 1.805 -5.860 3.953 1.00 0.00 C ATOM 373 C GLU A 22 2.928 -6.005 2.938 1.00 0.00 C ATOM 374 O GLU A 22 3.781 -6.868 3.129 1.00 0.00 O ATOM 375 CB GLU A 22 0.485 -6.308 3.312 1.00 0.00 C ATOM 376 CG GLU A 22 -0.664 -6.366 4.322 1.00 0.00 C ATOM 377 CD GLU A 22 -1.970 -6.865 3.685 1.00 0.00 C ATOM 378 OE1 GLU A 22 -3.056 -6.435 4.135 1.00 0.00 O ATOM 379 OE2 GLU A 22 -1.919 -7.644 2.704 1.00 0.00 O ATOM 0 H GLU A 22 0.976 -3.945 4.049 1.00 0.00 H new ATOM 0 HA GLU A 22 1.986 -6.496 4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.223 -5.621 2.507 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.619 -7.291 2.861 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.389 -7.024 5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.824 -5.375 4.746 1.00 0.00 H new ATOM 386 N ARG A 23 3.002 -5.137 1.924 1.00 0.00 N ATOM 387 CA ARG A 23 4.055 -5.245 0.912 1.00 0.00 C ATOM 388 C ARG A 23 5.442 -5.023 1.497 1.00 0.00 C ATOM 389 O ARG A 23 6.378 -5.685 1.067 1.00 0.00 O ATOM 390 CB ARG A 23 3.756 -4.381 -0.327 1.00 0.00 C ATOM 391 CG ARG A 23 3.508 -2.884 -0.092 1.00 0.00 C ATOM 392 CD ARG A 23 4.736 -1.971 -0.123 1.00 0.00 C ATOM 393 NE ARG A 23 5.387 -1.981 -1.446 1.00 0.00 N ATOM 394 CZ ARG A 23 6.631 -2.372 -1.732 1.00 0.00 C ATOM 395 NH1 ARG A 23 7.410 -2.912 -0.800 1.00 0.00 N ATOM 396 NH2 ARG A 23 7.103 -2.223 -2.960 1.00 0.00 N ATOM 0 H ARG A 23 2.354 -4.362 1.784 1.00 0.00 H new ATOM 0 HA ARG A 23 4.057 -6.275 0.555 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.592 -4.481 -1.019 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.879 -4.795 -0.825 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.804 -2.533 -0.847 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.022 -2.768 0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.440 -0.953 0.129 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.449 -2.293 0.636 1.00 0.00 H new ATOM 0 HE ARG A 23 4.824 -1.652 -2.230 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.060 -3.033 0.150 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.358 -3.205 -1.035 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.516 -1.810 -3.685 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.053 -2.521 -3.181 1.00 0.00 H new ATOM 410 N ILE A 24 5.605 -4.136 2.481 1.00 0.00 N ATOM 411 CA ILE A 24 6.917 -3.902 3.085 1.00 0.00 C ATOM 412 C ILE A 24 7.331 -5.070 3.992 1.00 0.00 C ATOM 413 O ILE A 24 8.482 -5.505 3.939 1.00 0.00 O ATOM 414 CB ILE A 24 6.925 -2.558 3.858 1.00 0.00 C ATOM 415 CG1 ILE A 24 8.327 -2.187 4.389 1.00 0.00 C ATOM 416 CG2 ILE A 24 5.917 -2.549 5.017 1.00 0.00 C ATOM 417 CD1 ILE A 24 8.295 -0.995 5.351 1.00 0.00 C ATOM 0 H ILE A 24 4.851 -3.572 2.874 1.00 0.00 H new ATOM 0 HA ILE A 24 7.654 -3.838 2.284 1.00 0.00 H new ATOM 0 HB ILE A 24 6.626 -1.804 3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.759 -3.049 4.898 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.980 -1.953 3.548 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.959 -1.587 5.528 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.912 -2.708 4.626 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.164 -3.345 5.720 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.306 -0.777 5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.890 -0.123 4.837 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.665 -1.236 6.208 1.00 0.00 H new ATOM 429 N GLN A 25 6.410 -5.571 4.827 1.00 0.00 N ATOM 430 CA GLN A 25 6.716 -6.645 5.765 1.00 0.00 C ATOM 431 C GLN A 25 6.811 -8.022 5.123 1.00 0.00 C ATOM 432 O GLN A 25 7.755 -8.760 5.395 1.00 0.00 O ATOM 433 CB GLN A 25 5.617 -6.662 6.835 1.00 0.00 C ATOM 434 CG GLN A 25 5.917 -7.562 8.033 1.00 0.00 C ATOM 435 CD GLN A 25 4.724 -7.523 8.980 1.00 0.00 C ATOM 436 OE1 GLN A 25 4.218 -6.454 9.331 1.00 0.00 O ATOM 437 NE2 GLN A 25 4.175 -8.654 9.364 1.00 0.00 N ATOM 0 H GLN A 25 5.445 -5.244 4.867 1.00 0.00 H new ATOM 0 HA GLN A 25 7.701 -6.441 6.184 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.458 -5.644 7.191 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.684 -6.988 6.375 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.104 -8.583 7.702 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.818 -7.223 8.545 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.586 -9.543 9.079 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.338 -8.643 9.947 1.00 0.00 H new ATOM 446 N ASN A 26 5.831 -8.382 4.296 1.00 0.00 N ATOM 447 CA ASN A 26 5.819 -9.686 3.653 1.00 0.00 C ATOM 448 C ASN A 26 6.805 -9.675 2.490 1.00 0.00 C ATOM 449 O ASN A 26 7.664 -10.550 2.410 1.00 0.00 O ATOM 450 CB ASN A 26 4.396 -10.055 3.190 1.00 0.00 C ATOM 451 CG ASN A 26 3.403 -10.153 4.336 1.00 0.00 C ATOM 452 OD1 ASN A 26 3.167 -11.213 4.905 1.00 0.00 O ATOM 453 ND2 ASN A 26 2.789 -9.047 4.705 1.00 0.00 N ATOM 0 H ASN A 26 5.038 -7.787 4.058 1.00 0.00 H new ATOM 0 HA ASN A 26 6.127 -10.450 4.367 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.047 -9.308 2.478 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.428 -11.008 2.662 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.113 -9.069 5.468 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.990 -8.168 4.227 1.00 0.00 H new ATOM 460 N SER A 27 6.696 -8.672 1.606 1.00 0.00 N ATOM 461 CA SER A 27 7.535 -8.500 0.419 1.00 0.00 C ATOM 462 C SER A 27 7.594 -9.774 -0.442 1.00 0.00 C ATOM 463 O SER A 27 8.575 -10.024 -1.144 1.00 0.00 O ATOM 464 CB SER A 27 8.910 -7.987 0.871 1.00 0.00 C ATOM 465 OG SER A 27 9.570 -7.286 -0.165 1.00 0.00 O ATOM 0 H SER A 27 5.997 -7.936 1.704 1.00 0.00 H new ATOM 0 HA SER A 27 7.096 -7.756 -0.245 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.789 -7.333 1.734 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.525 -8.828 1.192 1.00 0.00 H new ATOM 0 HG SER A 27 10.441 -6.972 0.156 1.00 0.00 H new ATOM 834 N ILE A3289 5.326 6.620 1.434 1.00 0.00 N ATOM 835 CA ILE A3289 6.567 6.972 0.755 1.00 0.00 C ATOM 836 C ILE A3289 6.349 6.982 -0.763 1.00 0.00 C ATOM 837 O ILE A3289 6.494 5.959 -1.435 1.00 0.00 O ATOM 838 CB ILE A3289 7.747 6.055 1.174 1.00 0.00 C ATOM 839 CG1 ILE A3289 7.832 5.798 2.696 1.00 0.00 C ATOM 840 CG2 ILE A3289 9.062 6.697 0.690 1.00 0.00 C ATOM 841 CD1 ILE A3289 8.786 4.651 3.051 1.00 0.00 C ATOM 0 HA ILE A3289 6.851 7.978 1.064 1.00 0.00 H new ATOM 0 HB ILE A3289 7.576 5.083 0.711 1.00 0.00 H new ATOM 0 HG12 ILE A3289 8.163 6.708 3.196 1.00 0.00 H new ATOM 0 HG13 ILE A3289 6.837 5.569 3.078 1.00 0.00 H new ATOM 0 HG21 ILE A3289 9.903 6.065 0.976 1.00 0.00 H new ATOM 0 HG22 ILE A3289 9.039 6.800 -0.395 1.00 0.00 H new ATOM 0 HG23 ILE A3289 9.176 7.681 1.146 1.00 0.00 H new ATOM 0 HD11 ILE A3289 8.806 4.516 4.132 1.00 0.00 H new ATOM 0 HD12 ILE A3289 8.442 3.732 2.577 1.00 0.00 H new ATOM 0 HD13 ILE A3289 9.789 4.889 2.697 1.00 0.00 H new ATOM 853 N GLU A3290 6.044 8.156 -1.316 1.00 0.00 N ATOM 854 CA GLU A3290 5.821 8.321 -2.752 1.00 0.00 C ATOM 855 C GLU A3290 7.104 8.070 -3.557 1.00 0.00 C ATOM 856 O GLU A3290 7.074 7.862 -4.762 1.00 0.00 O ATOM 857 CB GLU A3290 5.347 9.755 -3.038 1.00 0.00 C ATOM 858 CG GLU A3290 4.670 9.870 -4.411 1.00 0.00 C ATOM 859 CD GLU A3290 3.841 11.145 -4.497 1.00 0.00 C ATOM 860 OE1 GLU A3290 2.631 11.082 -4.173 1.00 0.00 O ATOM 861 OE2 GLU A3290 4.412 12.213 -4.825 1.00 0.00 O ATOM 0 H GLU A3290 5.945 9.019 -0.781 1.00 0.00 H new ATOM 0 HA GLU A3290 5.067 7.593 -3.053 1.00 0.00 H new ATOM 0 HB2 GLU A3290 4.649 10.069 -2.262 1.00 0.00 H new ATOM 0 HB3 GLU A3290 6.198 10.434 -2.995 1.00 0.00 H new ATOM 0 HG2 GLU A3290 5.426 9.868 -5.196 1.00 0.00 H new ATOM 0 HG3 GLU A3290 4.032 9.003 -4.581 1.00 0.00 H new ATOM 868 N THR A3291 8.252 8.043 -2.892 1.00 0.00 N ATOM 869 CA THR A3291 9.554 7.862 -3.500 1.00 0.00 C ATOM 870 C THR A3291 10.181 6.519 -3.118 1.00 0.00 C ATOM 871 O THR A3291 11.356 6.449 -2.751 1.00 0.00 O ATOM 872 CB THR A3291 10.360 9.144 -3.227 1.00 0.00 C ATOM 873 OG1 THR A3291 11.668 9.064 -3.754 1.00 0.00 O ATOM 874 CG2 THR A3291 10.382 9.529 -1.737 1.00 0.00 C ATOM 0 H THR A3291 8.298 8.151 -1.879 1.00 0.00 H new ATOM 0 HA THR A3291 9.510 7.759 -4.584 1.00 0.00 H new ATOM 0 HB THR A3291 9.838 9.945 -3.750 1.00 0.00 H new ATOM 0 HG1 THR A3291 12.038 8.174 -3.576 1.00 0.00 H new ATOM 0 HG21 THR A3291 10.965 10.441 -1.605 1.00 0.00 H new ATOM 0 HG22 THR A3291 9.363 9.697 -1.389 1.00 0.00 H new ATOM 0 HG23 THR A3291 10.834 8.723 -1.159 1.00 0.00 H new ATOM 882 N PHE A3292 9.395 5.439 -3.144 1.00 0.00 N ATOM 883 CA PHE A3292 9.923 4.121 -2.814 1.00 0.00 C ATOM 884 C PHE A3292 9.097 3.021 -3.462 1.00 0.00 C ATOM 885 O PHE A3292 9.619 2.251 -4.266 1.00 0.00 O ATOM 886 CB PHE A3292 10.004 3.954 -1.286 1.00 0.00 C ATOM 887 CG PHE A3292 10.747 2.723 -0.798 1.00 0.00 C ATOM 888 CD1 PHE A3292 11.975 2.336 -1.373 1.00 0.00 C ATOM 889 CD2 PHE A3292 10.232 1.987 0.283 1.00 0.00 C ATOM 890 CE1 PHE A3292 12.659 1.207 -0.895 1.00 0.00 C ATOM 891 CE2 PHE A3292 10.920 0.864 0.769 1.00 0.00 C ATOM 892 CZ PHE A3292 12.129 0.467 0.173 1.00 0.00 C ATOM 0 H PHE A3292 8.405 5.454 -3.387 1.00 0.00 H new ATOM 0 HA PHE A3292 10.932 4.035 -3.217 1.00 0.00 H new ATOM 0 HB2 PHE A3292 10.487 4.837 -0.867 1.00 0.00 H new ATOM 0 HB3 PHE A3292 8.990 3.926 -0.888 1.00 0.00 H new ATOM 0 HD1 PHE A3292 12.392 2.912 -2.186 1.00 0.00 H new ATOM 0 HD2 PHE A3292 9.302 2.287 0.742 1.00 0.00 H new ATOM 0 HE1 PHE A3292 13.592 0.908 -1.349 1.00 0.00 H new ATOM 0 HE2 PHE A3292 10.520 0.305 1.602 1.00 0.00 H new ATOM 0 HZ PHE A3292 12.650 -0.407 0.536 1.00 0.00 H new ATOM 902 N PHE A3293 7.797 2.998 -3.178 1.00 0.00 N ATOM 903 CA PHE A3293 6.868 1.997 -3.691 1.00 0.00 C ATOM 904 C PHE A3293 5.697 2.606 -4.466 1.00 0.00 C ATOM 905 O PHE A3293 4.748 1.902 -4.793 1.00 0.00 O ATOM 906 CB PHE A3293 6.464 1.077 -2.522 1.00 0.00 C ATOM 907 CG PHE A3293 6.187 1.745 -1.187 1.00 0.00 C ATOM 908 CD1 PHE A3293 6.785 1.245 -0.015 1.00 0.00 C ATOM 909 CD2 PHE A3293 5.380 2.894 -1.117 1.00 0.00 C ATOM 910 CE1 PHE A3293 6.595 1.902 1.213 1.00 0.00 C ATOM 911 CE2 PHE A3293 5.213 3.560 0.103 1.00 0.00 C ATOM 912 CZ PHE A3293 5.813 3.067 1.274 1.00 0.00 C ATOM 0 H PHE A3293 7.352 3.688 -2.573 1.00 0.00 H new ATOM 0 HA PHE A3293 7.358 1.385 -4.449 1.00 0.00 H new ATOM 0 HB2 PHE A3293 5.571 0.525 -2.817 1.00 0.00 H new ATOM 0 HB3 PHE A3293 7.258 0.344 -2.377 1.00 0.00 H new ATOM 0 HD1 PHE A3293 7.392 0.353 -0.059 1.00 0.00 H new ATOM 0 HD2 PHE A3293 4.889 3.263 -2.005 1.00 0.00 H new ATOM 0 HE1 PHE A3293 7.051 1.511 2.110 1.00 0.00 H new ATOM 0 HE2 PHE A3293 4.618 4.460 0.144 1.00 0.00 H new ATOM 0 HZ PHE A3293 5.674 3.580 2.214 1.00 0.00 H new ATOM 922 N ALA A3294 5.740 3.903 -4.803 1.00 0.00 N ATOM 923 CA ALA A3294 4.659 4.561 -5.540 1.00 0.00 C ATOM 924 C ALA A3294 4.277 3.840 -6.830 1.00 0.00 C ATOM 925 O ALA A3294 3.143 3.999 -7.272 1.00 0.00 O ATOM 926 CB ALA A3294 5.022 6.001 -5.872 1.00 0.00 C ATOM 0 H ALA A3294 6.520 4.519 -4.573 1.00 0.00 H new ATOM 0 HA ALA A3294 3.796 4.532 -4.875 1.00 0.00 H new ATOM 0 HB1 ALA A3294 4.202 6.466 -6.419 1.00 0.00 H new ATOM 0 HB2 ALA A3294 5.202 6.553 -4.949 1.00 0.00 H new ATOM 0 HB3 ALA A3294 5.923 6.017 -6.486 1.00 0.00 H new ATOM 932 N GLN A3295 5.195 3.078 -7.431 1.00 0.00 N ATOM 933 CA GLN A3295 4.951 2.337 -8.660 1.00 0.00 C ATOM 934 C GLN A3295 3.958 1.195 -8.424 1.00 0.00 C ATOM 935 O GLN A3295 3.054 0.992 -9.225 1.00 0.00 O ATOM 936 CB GLN A3295 6.275 1.823 -9.249 1.00 0.00 C ATOM 937 CG GLN A3295 7.388 2.882 -9.369 1.00 0.00 C ATOM 938 CD GLN A3295 6.922 4.249 -9.887 1.00 0.00 C ATOM 939 OE1 GLN A3295 6.109 4.351 -10.804 1.00 0.00 O ATOM 940 NE2 GLN A3295 7.391 5.334 -9.296 1.00 0.00 N ATOM 0 H GLN A3295 6.141 2.960 -7.068 1.00 0.00 H new ATOM 0 HA GLN A3295 4.501 3.012 -9.388 1.00 0.00 H new ATOM 0 HB2 GLN A3295 6.638 1.004 -8.628 1.00 0.00 H new ATOM 0 HB3 GLN A3295 6.079 1.410 -10.238 1.00 0.00 H new ATOM 0 HG2 GLN A3295 7.848 3.018 -8.390 1.00 0.00 H new ATOM 0 HG3 GLN A3295 8.162 2.501 -10.035 1.00 0.00 H new ATOM 0 HE21 GLN A3295 8.065 5.249 -8.535 1.00 0.00 H new ATOM 0 HE22 GLN A3295 7.079 6.256 -9.600 1.00 0.00 H new ATOM 949 N ASP A3296 4.157 0.391 -7.379 1.00 0.00 N ATOM 950 CA ASP A3296 3.260 -0.714 -7.034 1.00 0.00 C ATOM 951 C ASP A3296 2.019 -0.219 -6.288 1.00 0.00 C ATOM 952 O ASP A3296 0.974 -0.870 -6.300 1.00 0.00 O ATOM 953 CB ASP A3296 3.982 -1.823 -6.262 1.00 0.00 C ATOM 954 CG ASP A3296 4.576 -1.406 -4.920 1.00 0.00 C ATOM 955 OD1 ASP A3296 5.739 -0.948 -4.931 1.00 0.00 O ATOM 956 OD2 ASP A3296 3.962 -1.642 -3.855 1.00 0.00 O ATOM 0 H ASP A3296 4.949 0.488 -6.744 1.00 0.00 H new ATOM 0 HA ASP A3296 2.921 -1.154 -7.972 1.00 0.00 H new ATOM 0 HB2 ASP A3296 3.280 -2.640 -6.092 1.00 0.00 H new ATOM 0 HB3 ASP A3296 4.783 -2.216 -6.888 1.00 0.00 H new ATOM 961 N ILE A3297 2.132 0.921 -5.606 1.00 0.00 N ATOM 962 CA ILE A3297 1.052 1.513 -4.830 1.00 0.00 C ATOM 963 C ILE A3297 -0.094 1.890 -5.749 1.00 0.00 C ATOM 964 O ILE A3297 -1.248 1.618 -5.424 1.00 0.00 O ATOM 965 CB ILE A3297 1.573 2.692 -3.973 1.00 0.00 C ATOM 966 CG1 ILE A3297 1.691 2.294 -2.489 1.00 0.00 C ATOM 967 CG2 ILE A3297 0.725 3.969 -4.096 1.00 0.00 C ATOM 968 CD1 ILE A3297 2.594 1.076 -2.249 1.00 0.00 C ATOM 0 H ILE A3297 2.994 1.466 -5.580 1.00 0.00 H new ATOM 0 HA ILE A3297 0.661 0.783 -4.122 1.00 0.00 H new ATOM 0 HB ILE A3297 2.560 2.923 -4.374 1.00 0.00 H new ATOM 0 HG12 ILE A3297 2.080 3.141 -1.924 1.00 0.00 H new ATOM 0 HG13 ILE A3297 0.696 2.081 -2.099 1.00 0.00 H new ATOM 0 HG21 ILE A3297 1.151 4.751 -3.467 1.00 0.00 H new ATOM 0 HG22 ILE A3297 0.717 4.302 -5.134 1.00 0.00 H new ATOM 0 HG23 ILE A3297 -0.295 3.761 -3.774 1.00 0.00 H new ATOM 0 HD11 ILE A3297 2.630 0.854 -1.182 1.00 0.00 H new ATOM 0 HD12 ILE A3297 2.194 0.215 -2.786 1.00 0.00 H new ATOM 0 HD13 ILE A3297 3.600 1.292 -2.608 1.00 0.00 H new ATOM 980 N GLU A3298 0.207 2.529 -6.879 1.00 0.00 N ATOM 981 CA GLU A3298 -0.832 2.930 -7.805 1.00 0.00 C ATOM 982 C GLU A3298 -1.542 1.695 -8.351 1.00 0.00 C ATOM 983 O GLU A3298 -2.739 1.725 -8.595 1.00 0.00 O ATOM 984 CB GLU A3298 -0.254 3.786 -8.938 1.00 0.00 C ATOM 985 CG GLU A3298 0.931 3.126 -9.662 1.00 0.00 C ATOM 986 CD GLU A3298 1.187 3.686 -11.056 1.00 0.00 C ATOM 987 OE1 GLU A3298 2.345 4.098 -11.314 1.00 0.00 O ATOM 988 OE2 GLU A3298 0.231 3.712 -11.867 1.00 0.00 O ATOM 0 H GLU A3298 1.154 2.775 -7.167 1.00 0.00 H new ATOM 0 HA GLU A3298 -1.561 3.542 -7.274 1.00 0.00 H new ATOM 0 HB2 GLU A3298 -1.041 3.995 -9.662 1.00 0.00 H new ATOM 0 HB3 GLU A3298 0.068 4.745 -8.531 1.00 0.00 H new ATOM 0 HG2 GLU A3298 1.830 3.253 -9.059 1.00 0.00 H new ATOM 0 HG3 GLU A3298 0.747 2.054 -9.739 1.00 0.00 H new ATOM 995 N SER A3299 -0.822 0.593 -8.506 1.00 0.00 N ATOM 996 CA SER A3299 -1.339 -0.642 -9.040 1.00 0.00 C ATOM 997 C SER A3299 -2.270 -1.339 -8.054 1.00 0.00 C ATOM 998 O SER A3299 -3.352 -1.781 -8.446 1.00 0.00 O ATOM 999 CB SER A3299 -0.126 -1.477 -9.437 1.00 0.00 C ATOM 1000 OG SER A3299 0.473 -0.900 -10.583 1.00 0.00 O ATOM 0 H SER A3299 0.165 0.540 -8.254 1.00 0.00 H new ATOM 0 HA SER A3299 -1.967 -0.471 -9.914 1.00 0.00 H new ATOM 0 HB2 SER A3299 0.590 -1.515 -8.616 1.00 0.00 H new ATOM 0 HB3 SER A3299 -0.427 -2.504 -9.646 1.00 0.00 H new ATOM 0 HG SER A3299 1.255 -1.429 -10.845 1.00 0.00 H new ATOM 1006 N VAL A3300 -1.898 -1.411 -6.776 1.00 0.00 N ATOM 1007 CA VAL A3300 -2.739 -2.053 -5.778 1.00 0.00 C ATOM 1008 C VAL A3300 -3.907 -1.124 -5.423 1.00 0.00 C ATOM 1009 O VAL A3300 -5.040 -1.579 -5.273 1.00 0.00 O ATOM 1010 CB VAL A3300 -1.874 -2.505 -4.589 1.00 0.00 C ATOM 1011 CG1 VAL A3300 -1.431 -1.352 -3.689 1.00 0.00 C ATOM 1012 CG2 VAL A3300 -2.598 -3.548 -3.748 1.00 0.00 C ATOM 0 H VAL A3300 -1.023 -1.033 -6.413 1.00 0.00 H new ATOM 0 HA VAL A3300 -3.198 -2.964 -6.163 1.00 0.00 H new ATOM 0 HB VAL A3300 -0.978 -2.941 -5.030 1.00 0.00 H new ATOM 0 HG11 VAL A3300 -0.825 -1.741 -2.871 1.00 0.00 H new ATOM 0 HG12 VAL A3300 -0.843 -0.642 -4.270 1.00 0.00 H new ATOM 0 HG13 VAL A3300 -2.309 -0.849 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A3300 -1.963 -3.849 -2.915 1.00 0.00 H new ATOM 0 HG22 VAL A3300 -3.525 -3.125 -3.362 1.00 0.00 H new ATOM 0 HG23 VAL A3300 -2.825 -4.418 -4.364 1.00 0.00 H new ATOM 1022 N GLN A3301 -3.691 0.195 -5.320 1.00 0.00 N ATOM 1023 CA GLN A3301 -4.782 1.109 -4.996 1.00 0.00 C ATOM 1024 C GLN A3301 -5.798 1.126 -6.124 1.00 0.00 C ATOM 1025 O GLN A3301 -6.968 1.376 -5.848 1.00 0.00 O ATOM 1026 CB GLN A3301 -4.320 2.508 -4.575 1.00 0.00 C ATOM 1027 CG GLN A3301 -3.863 3.436 -5.705 1.00 0.00 C ATOM 1028 CD GLN A3301 -4.883 4.497 -6.143 1.00 0.00 C ATOM 1029 OE1 GLN A3301 -6.143 4.150 -6.377 1.00 0.00 O flip ATOM 1030 NE2 GLN A3301 -4.528 5.659 -6.301 1.00 0.00 N flip ATOM 0 H GLN A3301 -2.784 0.642 -5.455 1.00 0.00 H new ATOM 0 HA GLN A3301 -5.273 0.723 -4.103 1.00 0.00 H new ATOM 0 HB2 GLN A3301 -5.138 2.993 -4.042 1.00 0.00 H new ATOM 0 HB3 GLN A3301 -3.498 2.399 -3.867 1.00 0.00 H new ATOM 0 HG2 GLN A3301 -2.951 3.943 -5.389 1.00 0.00 H new ATOM 0 HG3 GLN A3301 -3.605 2.826 -6.571 1.00 0.00 H new ATOM 0 HE21 GLN A3301 -3.560 5.925 -6.121 1.00 0.00 H new ATOM 0 HE22 GLN A3301 -5.201 6.360 -6.612 1.00 0.00 H new ATOM 1039 N LYS A3302 -5.367 0.919 -7.375 1.00 0.00 N ATOM 1040 CA LYS A3302 -6.256 0.876 -8.533 1.00 0.00 C ATOM 1041 C LYS A3302 -7.268 -0.255 -8.353 1.00 0.00 C ATOM 1042 O LYS A3302 -8.382 -0.168 -8.864 1.00 0.00 O ATOM 1043 CB LYS A3302 -5.462 0.702 -9.829 1.00 0.00 C ATOM 1044 CG LYS A3302 -5.091 2.073 -10.411 1.00 0.00 C ATOM 1045 CD LYS A3302 -4.103 1.936 -11.574 1.00 0.00 C ATOM 1046 CE LYS A3302 -4.744 1.299 -12.812 1.00 0.00 C ATOM 1047 NZ LYS A3302 -5.868 2.113 -13.324 1.00 0.00 N ATOM 0 H LYS A3302 -4.384 0.776 -7.609 1.00 0.00 H new ATOM 0 HA LYS A3302 -6.791 1.823 -8.606 1.00 0.00 H new ATOM 0 HB2 LYS A3302 -4.558 0.124 -9.636 1.00 0.00 H new ATOM 0 HB3 LYS A3302 -6.052 0.139 -10.553 1.00 0.00 H new ATOM 0 HG2 LYS A3302 -5.992 2.580 -10.755 1.00 0.00 H new ATOM 0 HG3 LYS A3302 -4.653 2.695 -9.631 1.00 0.00 H new ATOM 0 HD2 LYS A3302 -3.714 2.920 -11.835 1.00 0.00 H new ATOM 0 HD3 LYS A3302 -3.253 1.332 -11.256 1.00 0.00 H new ATOM 0 HE2 LYS A3302 -3.992 1.184 -13.593 1.00 0.00 H new ATOM 0 HE3 LYS A3302 -5.101 0.300 -12.564 1.00 0.00 H new ATOM 0 HZ1 LYS A3302 -6.101 1.813 -14.292 1.00 0.00 H new ATOM 0 HZ2 LYS A3302 -6.699 1.982 -12.712 1.00 0.00 H new ATOM 0 HZ3 LYS A3302 -5.596 3.117 -13.328 1.00 0.00 H new ATOM 1061 N GLU A3303 -6.893 -1.306 -7.624 1.00 0.00 N ATOM 1062 CA GLU A3303 -7.762 -2.441 -7.354 1.00 0.00 C ATOM 1063 C GLU A3303 -8.862 -1.971 -6.399 1.00 0.00 C ATOM 1064 O GLU A3303 -10.051 -2.148 -6.639 1.00 0.00 O ATOM 1065 CB GLU A3303 -6.906 -3.647 -6.891 1.00 0.00 C ATOM 1066 CG GLU A3303 -6.982 -4.092 -5.422 1.00 0.00 C ATOM 1067 CD GLU A3303 -5.802 -4.979 -4.980 1.00 0.00 C ATOM 1068 OE1 GLU A3303 -5.238 -5.749 -5.796 1.00 0.00 O ATOM 1069 OE2 GLU A3303 -5.430 -4.969 -3.785 1.00 0.00 O ATOM 0 H GLU A3303 -5.968 -1.390 -7.202 1.00 0.00 H new ATOM 0 HA GLU A3303 -8.279 -2.812 -8.239 1.00 0.00 H new ATOM 0 HB2 GLU A3303 -7.180 -4.502 -7.509 1.00 0.00 H new ATOM 0 HB3 GLU A3303 -5.864 -3.415 -7.112 1.00 0.00 H new ATOM 0 HG2 GLU A3303 -7.018 -3.208 -4.786 1.00 0.00 H new ATOM 0 HG3 GLU A3303 -7.913 -4.637 -5.265 1.00 0.00 H new ATOM 1076 N LEU A3304 -8.468 -1.247 -5.357 1.00 0.00 N ATOM 1077 CA LEU A3304 -9.349 -0.743 -4.327 1.00 0.00 C ATOM 1078 C LEU A3304 -10.303 0.340 -4.796 1.00 0.00 C ATOM 1079 O LEU A3304 -11.447 0.354 -4.362 1.00 0.00 O ATOM 1080 CB LEU A3304 -8.490 -0.239 -3.166 1.00 0.00 C ATOM 1081 CG LEU A3304 -7.603 -1.327 -2.533 1.00 0.00 C ATOM 1082 CD1 LEU A3304 -6.784 -0.706 -1.410 1.00 0.00 C ATOM 1083 CD2 LEU A3304 -8.390 -2.529 -2.017 1.00 0.00 C ATOM 0 H LEU A3304 -7.492 -0.990 -5.207 1.00 0.00 H new ATOM 0 HA LEU A3304 -9.992 -1.567 -4.016 1.00 0.00 H new ATOM 0 HB2 LEU A3304 -7.856 0.573 -3.521 1.00 0.00 H new ATOM 0 HB3 LEU A3304 -9.142 0.178 -2.398 1.00 0.00 H new ATOM 0 HG LEU A3304 -6.951 -1.713 -3.316 1.00 0.00 H new ATOM 0 HD11 LEU A3304 -6.152 -1.469 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A3304 -6.158 0.090 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A3304 -7.454 -0.294 -0.656 1.00 0.00 H new ATOM 0 HD21 LEU A3304 -7.702 -3.256 -1.584 1.00 0.00 H new ATOM 0 HD22 LEU A3304 -9.098 -2.201 -1.256 1.00 0.00 H new ATOM 0 HD23 LEU A3304 -8.933 -2.990 -2.842 1.00 0.00 H new ATOM 1095 N GLU A3305 -9.868 1.265 -5.643 1.00 0.00 N ATOM 1096 CA GLU A3305 -10.760 2.327 -6.111 1.00 0.00 C ATOM 1097 C GLU A3305 -11.955 1.779 -6.889 1.00 0.00 C ATOM 1098 O GLU A3305 -13.000 2.432 -6.907 1.00 0.00 O ATOM 1099 CB GLU A3305 -10.018 3.394 -6.930 1.00 0.00 C ATOM 1100 CG GLU A3305 -9.253 2.751 -8.085 1.00 0.00 C ATOM 1101 CD GLU A3305 -8.517 3.746 -8.986 1.00 0.00 C ATOM 1102 OE1 GLU A3305 -8.470 3.527 -10.217 1.00 0.00 O ATOM 1103 OE2 GLU A3305 -7.908 4.724 -8.490 1.00 0.00 O ATOM 0 H GLU A3305 -8.920 1.305 -6.017 1.00 0.00 H new ATOM 0 HA GLU A3305 -11.145 2.811 -5.213 1.00 0.00 H new ATOM 0 HB2 GLU A3305 -10.730 4.122 -7.319 1.00 0.00 H new ATOM 0 HB3 GLU A3305 -9.326 3.938 -6.287 1.00 0.00 H new ATOM 0 HG2 GLU A3305 -8.530 2.044 -7.677 1.00 0.00 H new ATOM 0 HG3 GLU A3305 -9.952 2.177 -8.693 1.00 0.00 H new ATOM 1110 N ASN A3306 -11.831 0.603 -7.513 1.00 0.00 N ATOM 1111 CA ASN A3306 -12.917 0.011 -8.281 1.00 0.00 C ATOM 1112 C ASN A3306 -13.700 -0.994 -7.446 1.00 0.00 C ATOM 1113 O ASN A3306 -14.561 -1.681 -7.999 1.00 0.00 O ATOM 1114 CB ASN A3306 -12.450 -0.503 -9.653 1.00 0.00 C ATOM 1115 CG ASN A3306 -11.785 -1.870 -9.663 1.00 0.00 C ATOM 1116 OD1 ASN A3306 -12.427 -2.898 -9.881 1.00 0.00 O ATOM 1117 ND2 ASN A3306 -10.474 -1.903 -9.549 1.00 0.00 N ATOM 0 H ASN A3306 -10.979 0.043 -7.497 1.00 0.00 H new ATOM 0 HA ASN A3306 -13.633 0.796 -8.526 1.00 0.00 H new ATOM 0 HB2 ASN A3306 -13.312 -0.536 -10.319 1.00 0.00 H new ATOM 0 HB3 ASN A3306 -11.752 0.222 -10.071 1.00 0.00 H new ATOM 0 HD21 ASN A3306 -9.976 -2.788 -9.641 1.00 0.00 H new ATOM 0 HD22 ASN A3306 -9.956 -1.043 -9.368 1.00 0.00 H new ATOM 1124 N LEU A3307 -13.407 -1.100 -6.143 1.00 0.00 N ATOM 1125 CA LEU A3307 -14.109 -1.999 -5.241 1.00 0.00 C ATOM 1126 C LEU A3307 -15.202 -1.219 -4.503 1.00 0.00 C ATOM 1127 O LEU A3307 -15.091 -0.001 -4.346 1.00 0.00 O ATOM 1128 CB LEU A3307 -13.103 -2.633 -4.256 1.00 0.00 C ATOM 1129 CG LEU A3307 -12.726 -4.120 -4.422 1.00 0.00 C ATOM 1130 CD1 LEU A3307 -13.605 -4.881 -5.397 1.00 0.00 C ATOM 1131 CD2 LEU A3307 -11.283 -4.393 -4.837 1.00 0.00 C ATOM 0 H LEU A3307 -12.671 -0.558 -5.691 1.00 0.00 H new ATOM 0 HA LEU A3307 -14.582 -2.805 -5.802 1.00 0.00 H new ATOM 0 HB2 LEU A3307 -12.182 -2.053 -4.308 1.00 0.00 H new ATOM 0 HB3 LEU A3307 -13.503 -2.506 -3.250 1.00 0.00 H new ATOM 0 HG LEU A3307 -12.880 -4.477 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A3307 -13.272 -5.917 -5.454 1.00 0.00 H new ATOM 0 HD12 LEU A3307 -14.639 -4.851 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A3307 -13.536 -4.422 -6.383 1.00 0.00 H new ATOM 0 HD21 LEU A3307 -11.127 -5.468 -4.924 1.00 0.00 H new ATOM 0 HD22 LEU A3307 -11.085 -3.918 -5.798 1.00 0.00 H new ATOM 0 HD23 LEU A3307 -10.605 -3.988 -4.085 1.00 0.00 H new ATOM 1143 N SER A3308 -16.251 -1.921 -4.061 1.00 0.00 N ATOM 1144 CA SER A3308 -17.385 -1.341 -3.340 1.00 0.00 C ATOM 1145 C SER A3308 -17.097 -1.240 -1.847 1.00 0.00 C ATOM 1146 O SER A3308 -16.110 -1.797 -1.367 1.00 0.00 O ATOM 1147 CB SER A3308 -18.654 -2.155 -3.604 1.00 0.00 C ATOM 1148 OG SER A3308 -19.190 -1.787 -4.860 1.00 0.00 O ATOM 0 H SER A3308 -16.335 -2.928 -4.198 1.00 0.00 H new ATOM 0 HA SER A3308 -17.543 -0.328 -3.710 1.00 0.00 H new ATOM 0 HB2 SER A3308 -18.426 -3.221 -3.591 1.00 0.00 H new ATOM 0 HB3 SER A3308 -19.386 -1.976 -2.816 1.00 0.00 H new ATOM 0 HG SER A3308 -20.002 -2.307 -5.034 1.00 0.00 H new ATOM 1154 N GLU A3309 -17.953 -0.546 -1.085 1.00 0.00 N ATOM 1155 CA GLU A3309 -17.738 -0.406 0.344 1.00 0.00 C ATOM 1156 C GLU A3309 -17.654 -1.770 0.971 1.00 0.00 C ATOM 1157 O GLU A3309 -16.667 -2.041 1.609 1.00 0.00 O ATOM 1158 CB GLU A3309 -18.842 0.382 1.073 1.00 0.00 C ATOM 1159 CG GLU A3309 -18.562 1.876 1.029 1.00 0.00 C ATOM 1160 CD GLU A3309 -19.369 2.689 2.048 1.00 0.00 C ATOM 1161 OE1 GLU A3309 -19.092 2.650 3.271 1.00 0.00 O ATOM 1162 OE2 GLU A3309 -20.321 3.378 1.619 1.00 0.00 O ATOM 0 H GLU A3309 -18.789 -0.081 -1.438 1.00 0.00 H new ATOM 0 HA GLU A3309 -16.811 0.157 0.451 1.00 0.00 H new ATOM 0 HB2 GLU A3309 -19.807 0.175 0.611 1.00 0.00 H new ATOM 0 HB3 GLU A3309 -18.907 0.051 2.109 1.00 0.00 H new ATOM 0 HG2 GLU A3309 -17.499 2.042 1.206 1.00 0.00 H new ATOM 0 HG3 GLU A3309 -18.780 2.247 0.028 1.00 0.00 H new ATOM 1169 N GLU A3310 -18.581 -2.671 0.724 1.00 0.00 N ATOM 1170 CA GLU A3310 -18.583 -4.001 1.313 1.00 0.00 C ATOM 1171 C GLU A3310 -17.261 -4.743 1.124 1.00 0.00 C ATOM 1172 O GLU A3310 -17.014 -5.713 1.832 1.00 0.00 O ATOM 1173 CB GLU A3310 -19.753 -4.786 0.728 1.00 0.00 C ATOM 1174 CG GLU A3310 -19.741 -4.766 -0.803 1.00 0.00 C ATOM 1175 CD GLU A3310 -21.031 -5.329 -1.372 1.00 0.00 C ATOM 1176 OE1 GLU A3310 -22.116 -4.818 -1.024 1.00 0.00 O ATOM 1177 OE2 GLU A3310 -20.978 -6.261 -2.203 1.00 0.00 O ATOM 0 H GLU A3310 -19.369 -2.501 0.099 1.00 0.00 H new ATOM 0 HA GLU A3310 -18.701 -3.899 2.392 1.00 0.00 H new ATOM 0 HB2 GLU A3310 -19.711 -5.817 1.079 1.00 0.00 H new ATOM 0 HB3 GLU A3310 -20.691 -4.365 1.090 1.00 0.00 H new ATOM 0 HG2 GLU A3310 -19.602 -3.744 -1.154 1.00 0.00 H new ATOM 0 HG3 GLU A3310 -18.895 -5.347 -1.170 1.00 0.00 H new ATOM 1184 N GLU A3311 -16.514 -4.448 0.064 1.00 0.00 N ATOM 1185 CA GLU A3311 -15.240 -5.070 -0.186 1.00 0.00 C ATOM 1186 C GLU A3311 -14.165 -4.401 0.678 1.00 0.00 C ATOM 1187 O GLU A3311 -13.418 -5.063 1.391 1.00 0.00 O ATOM 1188 CB GLU A3311 -14.927 -4.894 -1.673 1.00 0.00 C ATOM 1189 CG GLU A3311 -15.917 -5.574 -2.631 1.00 0.00 C ATOM 1190 CD GLU A3311 -15.430 -6.970 -3.064 1.00 0.00 C ATOM 1191 OE1 GLU A3311 -15.230 -7.834 -2.181 1.00 0.00 O ATOM 1192 OE2 GLU A3311 -15.165 -7.220 -4.262 1.00 0.00 O ATOM 0 H GLU A3311 -16.787 -3.765 -0.643 1.00 0.00 H new ATOM 0 HA GLU A3311 -15.263 -6.130 0.067 1.00 0.00 H new ATOM 0 HB2 GLU A3311 -14.900 -3.828 -1.899 1.00 0.00 H new ATOM 0 HB3 GLU A3311 -13.929 -5.287 -1.868 1.00 0.00 H new ATOM 0 HG2 GLU A3311 -16.889 -5.663 -2.146 1.00 0.00 H new ATOM 0 HG3 GLU A3311 -16.057 -4.949 -3.513 1.00 0.00 H new ATOM 1199 N LEU A3312 -14.089 -3.069 0.611 1.00 0.00 N ATOM 1200 CA LEU A3312 -13.120 -2.218 1.311 1.00 0.00 C ATOM 1201 C LEU A3312 -13.393 -2.009 2.796 1.00 0.00 C ATOM 1202 O LEU A3312 -12.527 -2.227 3.642 1.00 0.00 O ATOM 1203 CB LEU A3312 -13.076 -0.824 0.665 1.00 0.00 C ATOM 1204 CG LEU A3312 -13.035 -0.830 -0.868 1.00 0.00 C ATOM 1205 CD1 LEU A3312 -13.650 0.456 -1.391 1.00 0.00 C ATOM 1206 CD2 LEU A3312 -11.620 -1.109 -1.354 1.00 0.00 C ATOM 0 H LEU A3312 -14.735 -2.526 0.038 1.00 0.00 H new ATOM 0 HA LEU A3312 -12.177 -2.758 1.222 1.00 0.00 H new ATOM 0 HB2 LEU A3312 -13.951 -0.260 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A3312 -12.199 -0.294 1.036 1.00 0.00 H new ATOM 0 HG LEU A3312 -13.639 -1.640 -1.276 1.00 0.00 H new ATOM 0 HD11 LEU A3312 -13.623 0.456 -2.481 1.00 0.00 H new ATOM 0 HD12 LEU A3312 -14.684 0.528 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A3312 -13.085 1.309 -1.014 1.00 0.00 H new ATOM 0 HD21 LEU A3312 -11.603 -1.111 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU A3312 -10.948 -0.335 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A3312 -11.293 -2.081 -0.985 1.00 0.00 H new ATOM 1218 N LEU A3313 -14.604 -1.561 3.105 1.00 0.00 N ATOM 1219 CA LEU A3313 -15.155 -1.292 4.417 1.00 0.00 C ATOM 1220 C LEU A3313 -14.979 -2.571 5.212 1.00 0.00 C ATOM 1221 O LEU A3313 -14.562 -2.505 6.363 1.00 0.00 O ATOM 1222 CB LEU A3313 -16.646 -0.862 4.290 1.00 0.00 C ATOM 1223 CG LEU A3313 -17.450 -0.648 5.596 1.00 0.00 C ATOM 1224 CD1 LEU A3313 -17.949 -1.955 6.232 1.00 0.00 C ATOM 1225 CD2 LEU A3313 -16.745 0.183 6.671 1.00 0.00 C ATOM 0 H LEU A3313 -15.284 -1.360 2.371 1.00 0.00 H new ATOM 0 HA LEU A3313 -14.651 -0.469 4.923 1.00 0.00 H new ATOM 0 HB2 LEU A3313 -16.679 0.067 3.720 1.00 0.00 H new ATOM 0 HB3 LEU A3313 -17.163 -1.617 3.698 1.00 0.00 H new ATOM 0 HG LEU A3313 -18.302 -0.068 5.241 1.00 0.00 H new ATOM 0 HD11 LEU A3313 -18.504 -1.728 7.143 1.00 0.00 H new ATOM 0 HD12 LEU A3313 -18.601 -2.475 5.530 1.00 0.00 H new ATOM 0 HD13 LEU A3313 -17.097 -2.590 6.475 1.00 0.00 H new ATOM 0 HD21 LEU A3313 -17.392 0.273 7.544 1.00 0.00 H new ATOM 0 HD22 LEU A3313 -15.815 -0.307 6.958 1.00 0.00 H new ATOM 0 HD23 LEU A3313 -16.525 1.176 6.278 1.00 0.00 H new ATOM 1237 N ALA A3314 -15.215 -3.737 4.607 1.00 0.00 N ATOM 1238 CA ALA A3314 -15.081 -4.984 5.336 1.00 0.00 C ATOM 1239 C ALA A3314 -13.636 -5.256 5.770 1.00 0.00 C ATOM 1240 O ALA A3314 -13.410 -5.903 6.786 1.00 0.00 O ATOM 1241 CB ALA A3314 -15.622 -6.119 4.473 1.00 0.00 C ATOM 0 H ALA A3314 -15.495 -3.836 3.631 1.00 0.00 H new ATOM 0 HA ALA A3314 -15.661 -4.911 6.256 1.00 0.00 H new ATOM 0 HB1 ALA A3314 -15.527 -7.062 5.011 1.00 0.00 H new ATOM 0 HB2 ALA A3314 -16.672 -5.935 4.247 1.00 0.00 H new ATOM 0 HB3 ALA A3314 -15.054 -6.172 3.544 1.00 0.00 H new ATOM 1247 N MET A3315 -12.645 -4.729 5.049 1.00 0.00 N ATOM 1248 CA MET A3315 -11.227 -4.943 5.344 1.00 0.00 C ATOM 1249 C MET A3315 -10.746 -4.060 6.480 1.00 0.00 C ATOM 1250 O MET A3315 -10.180 -4.521 7.469 1.00 0.00 O ATOM 1251 CB MET A3315 -10.387 -4.628 4.100 1.00 0.00 C ATOM 1252 CG MET A3315 -10.865 -5.407 2.882 1.00 0.00 C ATOM 1253 SD MET A3315 -9.844 -6.846 2.462 1.00 0.00 S ATOM 1254 CE MET A3315 -8.294 -6.060 1.953 1.00 0.00 C ATOM 0 H MET A3315 -12.806 -4.135 4.235 1.00 0.00 H new ATOM 0 HA MET A3315 -11.111 -5.986 5.639 1.00 0.00 H new ATOM 0 HB2 MET A3315 -10.435 -3.560 3.890 1.00 0.00 H new ATOM 0 HB3 MET A3315 -9.342 -4.867 4.297 1.00 0.00 H new ATOM 0 HG2 MET A3315 -11.887 -5.742 3.059 1.00 0.00 H new ATOM 0 HG3 MET A3315 -10.893 -4.735 2.025 1.00 0.00 H new ATOM 0 HE1 MET A3315 -7.699 -6.769 1.377 1.00 0.00 H new ATOM 0 HE2 MET A3315 -8.513 -5.187 1.339 1.00 0.00 H new ATOM 0 HE3 MET A3315 -7.735 -5.751 2.837 1.00 0.00 H new ATOM 1264 N LEU A3316 -10.939 -2.750 6.323 1.00 0.00 N ATOM 1265 CA LEU A3316 -10.538 -1.767 7.325 1.00 0.00 C ATOM 1266 C LEU A3316 -11.278 -2.003 8.634 1.00 0.00 C ATOM 1267 O LEU A3316 -10.700 -1.779 9.699 1.00 0.00 O ATOM 1268 CB LEU A3316 -10.754 -0.335 6.815 1.00 0.00 C ATOM 1269 CG LEU A3316 -12.166 -0.052 6.258 1.00 0.00 C ATOM 1270 CD1 LEU A3316 -13.114 0.553 7.301 1.00 0.00 C ATOM 1271 CD2 LEU A3316 -12.110 0.970 5.133 1.00 0.00 C ATOM 0 H LEU A3316 -11.378 -2.342 5.497 1.00 0.00 H new ATOM 0 HA LEU A3316 -9.471 -1.890 7.513 1.00 0.00 H new ATOM 0 HB2 LEU A3316 -10.554 0.360 7.631 1.00 0.00 H new ATOM 0 HB3 LEU A3316 -10.022 -0.128 6.034 1.00 0.00 H new ATOM 0 HG LEU A3316 -12.533 -1.024 5.927 1.00 0.00 H new ATOM 0 HD11 LEU A3316 -14.090 0.728 6.848 1.00 0.00 H new ATOM 0 HD12 LEU A3316 -13.222 -0.137 8.138 1.00 0.00 H new ATOM 0 HD13 LEU A3316 -12.705 1.498 7.659 1.00 0.00 H new ATOM 0 HD21 LEU A3316 -13.117 1.153 4.757 1.00 0.00 H new ATOM 0 HD22 LEU A3316 -11.688 1.902 5.509 1.00 0.00 H new ATOM 0 HD23 LEU A3316 -11.485 0.589 4.326 1.00 0.00 H new ATOM 1283 N ASN A3317 -12.534 -2.443 8.559 1.00 0.00 N ATOM 1284 CA ASN A3317 -13.361 -2.723 9.724 1.00 0.00 C ATOM 1285 C ASN A3317 -13.041 -4.122 10.259 1.00 0.00 C ATOM 1286 O ASN A3317 -13.141 -4.366 11.457 1.00 0.00 O ATOM 1287 CB ASN A3317 -14.828 -2.630 9.291 1.00 0.00 C ATOM 1288 CG ASN A3317 -15.780 -2.320 10.418 1.00 0.00 C ATOM 1289 OD1 ASN A3317 -16.486 -3.194 10.904 1.00 0.00 O ATOM 1290 ND2 ASN A3317 -15.891 -1.046 10.751 1.00 0.00 N ATOM 0 H ASN A3317 -13.009 -2.616 7.673 1.00 0.00 H new ATOM 0 HA ASN A3317 -13.165 -2.006 10.521 1.00 0.00 H new ATOM 0 HB2 ASN A3317 -14.923 -1.859 8.526 1.00 0.00 H new ATOM 0 HB3 ASN A3317 -15.121 -3.573 8.830 1.00 0.00 H new ATOM 0 HD21 ASN A3317 -16.587 -0.757 11.439 1.00 0.00 H new ATOM 0 HD22 ASN A3317 -15.281 -0.351 10.320 1.00 0.00 H new ATOM 1297 N GLY A3318 -12.556 -4.996 9.370 1.00 0.00 N ATOM 1298 CA GLY A3318 -12.177 -6.374 9.603 1.00 0.00 C ATOM 1299 C GLY A3318 -13.393 -7.155 10.083 1.00 0.00 C ATOM 1300 O GLY A3318 -13.335 -7.751 11.161 1.00 0.00 O ATOM 0 H GLY A3318 -12.411 -4.727 8.397 1.00 0.00 H new ATOM 0 HA2 GLY A3318 -11.785 -6.816 8.687 1.00 0.00 H new ATOM 0 HA3 GLY A3318 -11.381 -6.424 10.346 1.00 0.00 H new