USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=7 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= 0.82 K(o=1.1,f=-0.54) USER MOD Set 1.2: A 17 GLN : amide:sc= 0.271 X(o=1.1,f=0.89) USER MOD Single : A 4 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.0017) USER MOD Single : A 6 GLN : amide:sc= -1.91 K(o=-1.9,f=-0.19) 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 18 LYS NZ :NH3+ -134:sc= 0.052 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 154:sc= 1.26 (180deg=0.848) 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= 0.663 K(o=0.66,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A3291 THR OG1 : rot 180:sc= 0 USER MOD Single : A3295 GLN : amide:sc= -0.0651 X(o=-0.065,f=0) USER MOD Single : A3299 SER OG : rot 180:sc= 0 USER MOD Single : A3301 GLN : amide:sc= -0.672 K(o=-0.67,f=0) USER MOD Single : A3302 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A3306 ASN : amide:sc= 0.0244 X(o=0.024,f=-0.17) 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= -0.112 X(o=-0.11,f=-0.0037) USER MOD ----------------------------------------------------------------- ATOM 32 N ILE A 3 -22.734 10.704 -3.097 1.00 0.00 N ATOM 33 CA ILE A 3 -21.664 10.197 -3.935 1.00 0.00 C ATOM 34 C ILE A 3 -21.241 8.842 -3.353 1.00 0.00 C ATOM 35 O ILE A 3 -21.608 8.506 -2.222 1.00 0.00 O ATOM 36 CB ILE A 3 -20.567 11.281 -3.999 1.00 0.00 C ATOM 37 CG1 ILE A 3 -19.688 11.162 -5.254 1.00 0.00 C ATOM 38 CG2 ILE A 3 -19.732 11.348 -2.707 1.00 0.00 C ATOM 39 CD1 ILE A 3 -20.465 11.425 -6.551 1.00 0.00 C ATOM 0 HA ILE A 3 -21.945 10.006 -4.971 1.00 0.00 H new ATOM 0 HB ILE A 3 -21.089 12.234 -4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -18.861 11.869 -5.181 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -19.252 10.164 -5.293 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -18.975 12.126 -2.803 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -20.384 11.578 -1.864 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -19.246 10.387 -2.538 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -19.793 11.327 -7.404 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -21.275 10.702 -6.643 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -20.879 12.433 -6.529 1.00 0.00 H new ATOM 51 N ASN A 4 -20.477 8.062 -4.113 1.00 0.00 N ATOM 52 CA ASN A 4 -20.010 6.743 -3.692 1.00 0.00 C ATOM 53 C ASN A 4 -18.575 6.520 -4.155 1.00 0.00 C ATOM 54 O ASN A 4 -17.757 6.054 -3.368 1.00 0.00 O ATOM 55 CB ASN A 4 -20.978 5.650 -4.172 1.00 0.00 C ATOM 56 CG ASN A 4 -21.284 5.740 -5.658 1.00 0.00 C ATOM 57 OD1 ASN A 4 -22.197 6.453 -6.072 1.00 0.00 O ATOM 58 ND2 ASN A 4 -20.486 5.115 -6.494 1.00 0.00 N ATOM 0 H ASN A 4 -20.162 8.329 -5.046 1.00 0.00 H new ATOM 0 HA ASN A 4 -20.000 6.689 -2.603 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -20.550 4.672 -3.953 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -21.909 5.724 -3.610 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -20.620 5.218 -7.500 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -19.733 4.527 -6.137 1.00 0.00 H new ATOM 65 N GLU A 5 -18.217 6.940 -5.368 1.00 0.00 N ATOM 66 CA GLU A 5 -16.861 6.806 -5.923 1.00 0.00 C ATOM 67 C GLU A 5 -15.891 7.651 -5.100 1.00 0.00 C ATOM 68 O GLU A 5 -14.738 7.288 -4.881 1.00 0.00 O ATOM 69 CB GLU A 5 -16.866 7.279 -7.376 1.00 0.00 C ATOM 70 CG GLU A 5 -17.508 6.205 -8.261 1.00 0.00 C ATOM 71 CD GLU A 5 -18.146 6.749 -9.537 1.00 0.00 C ATOM 72 OE1 GLU A 5 -18.766 7.844 -9.504 1.00 0.00 O ATOM 73 OE2 GLU A 5 -18.114 6.025 -10.558 1.00 0.00 O ATOM 0 H GLU A 5 -18.870 7.392 -6.008 1.00 0.00 H new ATOM 0 HA GLU A 5 -16.544 5.764 -5.885 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.418 8.215 -7.463 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -15.847 7.478 -7.708 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.749 5.471 -8.531 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -18.268 5.680 -7.683 1.00 0.00 H new ATOM 80 N GLN A 6 -16.378 8.803 -4.651 1.00 0.00 N ATOM 81 CA GLN A 6 -15.618 9.725 -3.818 1.00 0.00 C ATOM 82 C GLN A 6 -15.592 9.186 -2.387 1.00 0.00 C ATOM 83 O GLN A 6 -14.676 9.499 -1.630 1.00 0.00 O ATOM 84 CB GLN A 6 -16.208 11.134 -3.895 1.00 0.00 C ATOM 85 CG GLN A 6 -15.689 11.933 -5.097 1.00 0.00 C ATOM 86 CD GLN A 6 -15.784 11.222 -6.447 1.00 0.00 C ATOM 87 OE1 GLN A 6 -14.792 10.749 -6.990 1.00 0.00 O ATOM 88 NE2 GLN A 6 -16.965 11.137 -7.030 1.00 0.00 N ATOM 0 H GLN A 6 -17.323 9.126 -4.858 1.00 0.00 H new ATOM 0 HA GLN A 6 -14.592 9.799 -4.179 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -17.294 11.065 -3.953 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -15.971 11.672 -2.977 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.246 12.868 -5.158 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -14.646 12.194 -4.915 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -17.788 11.532 -6.575 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -17.055 10.676 -7.936 1.00 0.00 H new ATOM 97 N THR A 7 -16.602 8.417 -1.964 1.00 0.00 N ATOM 98 CA THR A 7 -16.603 7.853 -0.620 1.00 0.00 C ATOM 99 C THR A 7 -15.466 6.845 -0.490 1.00 0.00 C ATOM 100 O THR A 7 -14.849 6.832 0.571 1.00 0.00 O ATOM 101 CB THR A 7 -17.927 7.186 -0.261 1.00 0.00 C ATOM 102 OG1 THR A 7 -18.949 8.162 -0.280 1.00 0.00 O ATOM 103 CG2 THR A 7 -17.858 6.490 1.103 1.00 0.00 C ATOM 0 H THR A 7 -17.417 8.176 -2.528 1.00 0.00 H new ATOM 0 HA THR A 7 -16.462 8.678 0.078 1.00 0.00 H new ATOM 0 HB THR A 7 -18.145 6.412 -0.997 1.00 0.00 H new ATOM 0 HG1 THR A 7 -19.805 7.743 -0.052 1.00 0.00 H new ATOM 0 HG21 THR A 7 -18.820 6.027 1.324 1.00 0.00 H new ATOM 0 HG22 THR A 7 -17.082 5.724 1.082 1.00 0.00 H new ATOM 0 HG23 THR A 7 -17.623 7.223 1.874 1.00 0.00 H new ATOM 111 N LEU A 8 -15.102 6.126 -1.562 1.00 0.00 N ATOM 112 CA LEU A 8 -14.038 5.123 -1.606 1.00 0.00 C ATOM 113 C LEU A 8 -12.777 5.764 -1.056 1.00 0.00 C ATOM 114 O LEU A 8 -11.982 5.050 -0.474 1.00 0.00 O ATOM 115 CB LEU A 8 -13.734 4.680 -3.050 1.00 0.00 C ATOM 116 CG LEU A 8 -14.930 4.260 -3.918 1.00 0.00 C ATOM 117 CD1 LEU A 8 -14.531 3.870 -5.340 1.00 0.00 C ATOM 118 CD2 LEU A 8 -15.678 3.115 -3.254 1.00 0.00 C ATOM 0 H LEU A 8 -15.567 6.237 -2.463 1.00 0.00 H new ATOM 0 HA LEU A 8 -14.356 4.255 -1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.221 5.499 -3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -13.036 3.844 -3.008 1.00 0.00 H new ATOM 0 HG LEU A 8 -15.579 5.131 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.420 3.584 -5.902 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.051 4.718 -5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.837 3.030 -5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -16.524 2.824 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -15.007 2.264 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -16.039 3.435 -2.277 1.00 0.00 H new ATOM 130 N ASP A 9 -12.594 7.083 -1.187 1.00 0.00 N ATOM 131 CA ASP A 9 -11.431 7.807 -0.689 1.00 0.00 C ATOM 132 C ASP A 9 -11.187 7.489 0.790 1.00 0.00 C ATOM 133 O ASP A 9 -10.045 7.243 1.183 1.00 0.00 O ATOM 134 CB ASP A 9 -11.656 9.312 -0.859 1.00 0.00 C ATOM 135 CG ASP A 9 -10.419 10.145 -0.521 1.00 0.00 C ATOM 136 OD1 ASP A 9 -10.583 11.346 -0.189 1.00 0.00 O ATOM 137 OD2 ASP A 9 -9.291 9.661 -0.733 1.00 0.00 O ATOM 0 H ASP A 9 -13.270 7.686 -1.655 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.556 7.497 -1.260 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.953 9.515 -1.888 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.483 9.624 -0.221 1.00 0.00 H new ATOM 142 N LYS A 10 -12.237 7.451 1.628 1.00 0.00 N ATOM 143 CA LYS A 10 -12.042 7.129 3.050 1.00 0.00 C ATOM 144 C LYS A 10 -11.635 5.662 3.212 1.00 0.00 C ATOM 145 O LYS A 10 -11.054 5.293 4.235 1.00 0.00 O ATOM 146 CB LYS A 10 -13.259 7.485 3.932 1.00 0.00 C ATOM 147 CG LYS A 10 -14.406 6.470 3.855 1.00 0.00 C ATOM 148 CD LYS A 10 -15.692 6.853 4.579 1.00 0.00 C ATOM 149 CE LYS A 10 -15.512 6.894 6.091 1.00 0.00 C ATOM 150 NZ LYS A 10 -16.821 6.992 6.766 1.00 0.00 N ATOM 0 H LYS A 10 -13.203 7.634 1.355 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.230 7.760 3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -12.931 7.569 4.968 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.634 8.465 3.636 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -14.642 6.298 2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.053 5.522 4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.027 7.829 4.228 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.475 6.138 4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.990 5.997 6.425 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -14.890 7.746 6.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.679 7.019 7.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -17.305 7.860 6.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -17.402 6.166 6.518 1.00 0.00 H new ATOM 164 N LEU A 11 -12.063 4.798 2.290 1.00 0.00 N ATOM 165 CA LEU A 11 -11.777 3.378 2.301 1.00 0.00 C ATOM 166 C LEU A 11 -10.337 3.119 1.855 1.00 0.00 C ATOM 167 O LEU A 11 -9.566 2.494 2.575 1.00 0.00 O ATOM 168 CB LEU A 11 -12.796 2.587 1.445 1.00 0.00 C ATOM 169 CG LEU A 11 -14.256 2.449 1.936 1.00 0.00 C ATOM 170 CD1 LEU A 11 -14.374 2.080 3.410 1.00 0.00 C ATOM 171 CD2 LEU A 11 -15.140 3.661 1.636 1.00 0.00 C ATOM 0 H LEU A 11 -12.635 5.084 1.495 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.880 3.018 3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.825 3.051 0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.399 1.581 1.312 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.633 1.615 1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -15.427 2.001 3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.881 1.124 3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.899 2.851 4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -16.146 3.480 2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -14.724 4.544 2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -15.181 3.824 0.559 1.00 0.00 H new ATOM 183 N ARG A 12 -9.919 3.605 0.686 1.00 0.00 N ATOM 184 CA ARG A 12 -8.569 3.383 0.164 1.00 0.00 C ATOM 185 C ARG A 12 -7.509 3.911 1.103 1.00 0.00 C ATOM 186 O ARG A 12 -6.522 3.217 1.324 1.00 0.00 O ATOM 187 CB ARG A 12 -8.410 3.939 -1.256 1.00 0.00 C ATOM 188 CG ARG A 12 -8.906 5.381 -1.381 1.00 0.00 C ATOM 189 CD ARG A 12 -8.285 6.155 -2.524 1.00 0.00 C ATOM 190 NE ARG A 12 -8.016 7.558 -2.139 1.00 0.00 N ATOM 191 CZ ARG A 12 -7.060 8.365 -2.603 1.00 0.00 C ATOM 192 NH1 ARG A 12 -6.071 7.902 -3.349 1.00 0.00 N ATOM 193 NH2 ARG A 12 -7.110 9.654 -2.295 1.00 0.00 N ATOM 0 H ARG A 12 -10.509 4.166 0.072 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.423 2.305 0.100 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.360 3.893 -1.545 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.960 3.307 -1.953 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.988 5.371 -1.510 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.701 5.906 -0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.355 5.675 -2.829 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.952 6.134 -3.386 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.636 7.956 -1.434 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.028 6.910 -3.581 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.351 8.537 -3.693 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.869 10.010 -1.714 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.390 10.289 -2.639 1.00 0.00 H new ATOM 207 N GLN A 13 -7.710 5.080 1.704 1.00 0.00 N ATOM 208 CA GLN A 13 -6.749 5.644 2.632 1.00 0.00 C ATOM 209 C GLN A 13 -6.583 4.720 3.845 1.00 0.00 C ATOM 210 O GLN A 13 -5.500 4.656 4.418 1.00 0.00 O ATOM 211 CB GLN A 13 -7.136 7.087 2.967 1.00 0.00 C ATOM 212 CG GLN A 13 -8.426 7.250 3.769 1.00 0.00 C ATOM 213 CD GLN A 13 -8.242 7.199 5.282 1.00 0.00 C ATOM 214 OE1 GLN A 13 -7.329 7.805 5.847 1.00 0.00 O ATOM 215 NE2 GLN A 13 -9.097 6.452 5.958 1.00 0.00 N ATOM 0 H GLN A 13 -8.539 5.656 1.560 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.759 5.704 2.179 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.320 7.543 3.527 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.234 7.644 2.036 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.886 8.202 3.504 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.124 6.466 3.474 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.844 5.961 5.467 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.010 6.367 6.971 1.00 0.00 H new ATOM 224 N ALA A 14 -7.631 3.996 4.252 1.00 0.00 N ATOM 225 CA ALA A 14 -7.575 3.072 5.375 1.00 0.00 C ATOM 226 C ALA A 14 -6.788 1.821 4.954 1.00 0.00 C ATOM 227 O ALA A 14 -5.913 1.346 5.679 1.00 0.00 O ATOM 228 CB ALA A 14 -9.003 2.705 5.793 1.00 0.00 C ATOM 0 H ALA A 14 -8.546 4.040 3.804 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.071 3.532 6.225 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.969 2.013 6.634 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.539 3.607 6.087 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.517 2.234 4.956 1.00 0.00 H new ATOM 234 N VAL A 15 -7.085 1.281 3.768 1.00 0.00 N ATOM 235 CA VAL A 15 -6.413 0.092 3.244 1.00 0.00 C ATOM 236 C VAL A 15 -4.931 0.382 2.988 1.00 0.00 C ATOM 237 O VAL A 15 -4.066 -0.428 3.320 1.00 0.00 O ATOM 238 CB VAL A 15 -7.135 -0.425 1.987 1.00 0.00 C ATOM 239 CG1 VAL A 15 -6.500 -1.699 1.421 1.00 0.00 C ATOM 240 CG2 VAL A 15 -8.589 -0.745 2.307 1.00 0.00 C ATOM 0 H VAL A 15 -7.799 1.658 3.145 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.460 -0.702 3.990 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.055 0.370 1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.050 -2.018 0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.463 -1.500 1.151 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.534 -2.488 2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.087 -1.110 1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.631 -1.511 3.082 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.091 0.156 2.660 1.00 0.00 H new ATOM 250 N LEU A 16 -4.610 1.549 2.431 1.00 0.00 N ATOM 251 CA LEU A 16 -3.220 1.911 2.159 1.00 0.00 C ATOM 252 C LEU A 16 -2.438 2.004 3.473 1.00 0.00 C ATOM 253 O LEU A 16 -1.310 1.524 3.531 1.00 0.00 O ATOM 254 CB LEU A 16 -3.098 3.111 1.191 1.00 0.00 C ATOM 255 CG LEU A 16 -3.202 4.550 1.711 1.00 0.00 C ATOM 256 CD1 LEU A 16 -1.867 5.069 2.244 1.00 0.00 C ATOM 257 CD2 LEU A 16 -3.673 5.464 0.560 1.00 0.00 C ATOM 0 H LEU A 16 -5.291 2.258 2.160 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.732 1.116 1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.135 3.021 0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.868 2.989 0.430 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.915 4.557 2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.990 6.091 2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.532 4.436 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.125 5.050 1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.750 6.490 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.954 5.419 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.648 5.129 0.205 1.00 0.00 H new ATOM 269 N GLN A 17 -3.055 2.497 4.559 1.00 0.00 N ATOM 270 CA GLN A 17 -2.376 2.611 5.847 1.00 0.00 C ATOM 271 C GLN A 17 -1.961 1.252 6.405 1.00 0.00 C ATOM 272 O GLN A 17 -0.791 1.104 6.778 1.00 0.00 O ATOM 273 CB GLN A 17 -3.261 3.341 6.856 1.00 0.00 C ATOM 274 CG GLN A 17 -3.204 4.849 6.635 1.00 0.00 C ATOM 275 CD GLN A 17 -4.260 5.540 7.461 1.00 0.00 C ATOM 276 OE1 GLN A 17 -4.267 5.512 8.694 1.00 0.00 O ATOM 277 NE2 GLN A 17 -5.193 6.171 6.791 1.00 0.00 N ATOM 0 H GLN A 17 -4.022 2.821 4.564 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.467 3.188 5.677 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.290 2.994 6.762 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.936 3.105 7.869 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.217 5.226 6.905 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.353 5.074 5.579 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.169 6.182 5.771 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.943 6.651 7.289 1.00 0.00 H new ATOM 286 N LYS A 18 -2.836 0.233 6.475 1.00 0.00 N ATOM 287 CA LYS A 18 -2.383 -1.063 6.985 1.00 0.00 C ATOM 288 C LYS A 18 -1.317 -1.623 6.050 1.00 0.00 C ATOM 289 O LYS A 18 -0.320 -2.146 6.541 1.00 0.00 O ATOM 290 CB LYS A 18 -3.563 -2.025 7.175 1.00 0.00 C ATOM 291 CG LYS A 18 -4.442 -2.164 5.919 1.00 0.00 C ATOM 292 CD LYS A 18 -5.873 -2.571 6.227 1.00 0.00 C ATOM 293 CE LYS A 18 -6.054 -4.099 6.330 1.00 0.00 C ATOM 294 NZ LYS A 18 -6.571 -4.611 7.620 1.00 0.00 N ATOM 0 H LYS A 18 -3.816 0.279 6.198 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.937 -0.934 7.971 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.181 -3.007 7.454 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.178 -1.675 8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.449 -1.215 5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.997 -2.903 5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.183 -2.110 7.165 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.531 -2.184 5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.732 -4.418 5.538 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.092 -4.572 6.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.004 -5.429 7.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.509 -3.863 8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.563 -4.901 7.506 1.00 0.00 H new ATOM 308 N LYS A 19 -1.460 -1.430 4.734 1.00 0.00 N ATOM 309 CA LYS A 19 -0.519 -1.897 3.722 1.00 0.00 C ATOM 310 C LYS A 19 0.888 -1.397 4.009 1.00 0.00 C ATOM 311 O LYS A 19 1.825 -2.145 3.736 1.00 0.00 O ATOM 312 CB LYS A 19 -1.002 -1.497 2.317 1.00 0.00 C ATOM 313 CG LYS A 19 -1.626 -2.674 1.549 1.00 0.00 C ATOM 314 CD LYS A 19 -2.555 -2.150 0.448 1.00 0.00 C ATOM 315 CE LYS A 19 -3.190 -3.273 -0.372 1.00 0.00 C ATOM 316 NZ LYS A 19 -2.351 -3.782 -1.482 1.00 0.00 N ATOM 0 H LYS A 19 -2.256 -0.931 4.338 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.479 -2.986 3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.735 -0.695 2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.162 -1.101 1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.841 -3.290 1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.185 -3.311 2.235 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.342 -1.546 0.899 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.991 -1.495 -0.216 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.427 -4.102 0.295 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.134 -2.915 -0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.615 -4.766 -1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.500 -3.194 -2.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.349 -3.744 -1.206 1.00 0.00 H new ATOM 330 N ILE A 20 1.077 -0.207 4.595 1.00 0.00 N ATOM 331 CA ILE A 20 2.412 0.297 4.906 1.00 0.00 C ATOM 332 C ILE A 20 3.102 -0.677 5.855 1.00 0.00 C ATOM 333 O ILE A 20 4.268 -1.008 5.663 1.00 0.00 O ATOM 334 CB ILE A 20 2.386 1.717 5.528 1.00 0.00 C ATOM 335 CG1 ILE A 20 1.480 2.708 4.785 1.00 0.00 C ATOM 336 CG2 ILE A 20 3.807 2.305 5.633 1.00 0.00 C ATOM 337 CD1 ILE A 20 1.731 2.757 3.283 1.00 0.00 C ATOM 0 H ILE A 20 0.319 0.421 4.861 1.00 0.00 H new ATOM 0 HA ILE A 20 2.965 0.376 3.970 1.00 0.00 H new ATOM 0 HB ILE A 20 1.962 1.581 6.523 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.439 2.438 4.962 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.627 3.704 5.202 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.757 3.301 6.073 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.422 1.661 6.262 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.249 2.369 4.639 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.055 3.478 2.824 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.762 3.057 3.096 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.556 1.771 2.852 1.00 0.00 H new ATOM 349 N LYS A 21 2.383 -1.109 6.889 1.00 0.00 N ATOM 350 CA LYS A 21 2.849 -2.039 7.910 1.00 0.00 C ATOM 351 C LYS A 21 3.042 -3.428 7.319 1.00 0.00 C ATOM 352 O LYS A 21 3.826 -4.206 7.850 1.00 0.00 O ATOM 353 CB LYS A 21 1.839 -2.159 9.069 1.00 0.00 C ATOM 354 CG LYS A 21 1.245 -0.827 9.558 1.00 0.00 C ATOM 355 CD LYS A 21 0.423 -1.007 10.843 1.00 0.00 C ATOM 356 CE LYS A 21 -0.927 -1.667 10.533 1.00 0.00 C ATOM 357 NZ LYS A 21 -1.616 -2.147 11.744 1.00 0.00 N ATOM 0 H LYS A 21 1.421 -0.807 7.043 1.00 0.00 H new ATOM 0 HA LYS A 21 3.794 -1.646 8.286 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.023 -2.809 8.753 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.330 -2.650 9.909 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.050 -0.114 9.738 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.612 -0.403 8.778 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.978 -1.619 11.554 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.260 -0.038 11.316 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.566 -0.952 10.015 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.770 -2.504 9.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.522 -2.584 11.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.021 -2.850 12.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.792 -1.346 12.384 1.00 0.00 H new ATOM 371 N GLU A 22 2.288 -3.775 6.277 1.00 0.00 N ATOM 372 CA GLU A 22 2.392 -5.095 5.688 1.00 0.00 C ATOM 373 C GLU A 22 3.649 -5.203 4.852 1.00 0.00 C ATOM 374 O GLU A 22 4.434 -6.115 5.096 1.00 0.00 O ATOM 375 CB GLU A 22 1.154 -5.466 4.863 1.00 0.00 C ATOM 376 CG GLU A 22 -0.104 -5.463 5.733 1.00 0.00 C ATOM 377 CD GLU A 22 -1.240 -6.277 5.105 1.00 0.00 C ATOM 378 OE1 GLU A 22 -1.996 -5.723 4.270 1.00 0.00 O ATOM 379 OE2 GLU A 22 -1.380 -7.470 5.473 1.00 0.00 O ATOM 0 H GLU A 22 1.606 -3.161 5.831 1.00 0.00 H new ATOM 0 HA GLU A 22 2.450 -5.811 6.508 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.034 -4.759 4.042 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.291 -6.452 4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.134 -5.871 6.715 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.436 -4.436 5.886 1.00 0.00 H new ATOM 386 N ARG A 23 3.917 -4.257 3.948 1.00 0.00 N ATOM 387 CA ARG A 23 5.120 -4.367 3.127 1.00 0.00 C ATOM 388 C ARG A 23 6.403 -4.303 3.944 1.00 0.00 C ATOM 389 O ARG A 23 7.359 -4.988 3.601 1.00 0.00 O ATOM 390 CB ARG A 23 5.102 -3.401 1.941 1.00 0.00 C ATOM 391 CG ARG A 23 4.802 -1.922 2.235 1.00 0.00 C ATOM 392 CD ARG A 23 6.062 -1.086 2.369 1.00 0.00 C ATOM 393 NE ARG A 23 6.962 -1.234 1.206 1.00 0.00 N ATOM 394 CZ ARG A 23 8.292 -1.355 1.289 1.00 0.00 C ATOM 395 NH1 ARG A 23 8.909 -1.100 2.437 1.00 0.00 N ATOM 396 NH2 ARG A 23 8.996 -1.728 0.234 1.00 0.00 N ATOM 0 H ARG A 23 3.339 -3.435 3.771 1.00 0.00 H new ATOM 0 HA ARG A 23 5.110 -5.368 2.695 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.072 -3.456 1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.361 -3.759 1.227 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.184 -1.515 1.435 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.222 -1.849 3.155 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.789 -0.037 2.482 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.593 -1.377 3.275 1.00 0.00 H new ATOM 0 HE ARG A 23 6.541 -1.245 0.277 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.369 -0.813 3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.923 -1.192 2.502 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.526 -1.925 -0.649 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.010 -1.818 0.303 1.00 0.00 H new ATOM 410 N ILE A 24 6.443 -3.524 5.022 1.00 0.00 N ATOM 411 CA ILE A 24 7.638 -3.434 5.855 1.00 0.00 C ATOM 412 C ILE A 24 7.820 -4.700 6.694 1.00 0.00 C ATOM 413 O ILE A 24 8.942 -5.188 6.819 1.00 0.00 O ATOM 414 CB ILE A 24 7.591 -2.175 6.748 1.00 0.00 C ATOM 415 CG1 ILE A 24 8.869 -1.996 7.596 1.00 0.00 C ATOM 416 CG2 ILE A 24 6.339 -2.153 7.642 1.00 0.00 C ATOM 417 CD1 ILE A 24 8.728 -0.848 8.595 1.00 0.00 C ATOM 0 H ILE A 24 5.663 -2.947 5.338 1.00 0.00 H new ATOM 0 HA ILE A 24 8.502 -3.346 5.197 1.00 0.00 H new ATOM 0 HB ILE A 24 7.536 -1.327 6.065 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.083 -2.921 8.132 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.718 -1.805 6.939 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.345 -1.251 8.254 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.446 -2.162 7.017 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.338 -3.030 8.289 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.647 -0.754 9.173 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.540 0.081 8.057 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.895 -1.052 9.268 1.00 0.00 H new ATOM 429 N GLN A 25 6.742 -5.223 7.290 1.00 0.00 N ATOM 430 CA GLN A 25 6.850 -6.400 8.134 1.00 0.00 C ATOM 431 C GLN A 25 7.009 -7.698 7.343 1.00 0.00 C ATOM 432 O GLN A 25 7.873 -8.509 7.663 1.00 0.00 O ATOM 433 CB GLN A 25 5.609 -6.457 9.043 1.00 0.00 C ATOM 434 CG GLN A 25 5.750 -7.477 10.177 1.00 0.00 C ATOM 435 CD GLN A 25 4.448 -7.658 10.950 1.00 0.00 C ATOM 436 OE1 GLN A 25 3.849 -8.728 10.921 1.00 0.00 O ATOM 437 NE2 GLN A 25 3.970 -6.665 11.681 1.00 0.00 N ATOM 0 H GLN A 25 5.798 -4.848 7.200 1.00 0.00 H new ATOM 0 HA GLN A 25 7.759 -6.311 8.729 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.431 -5.470 9.469 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.735 -6.708 8.442 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.063 -8.436 9.765 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.535 -7.153 10.860 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.461 -5.772 11.711 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.110 -6.793 12.215 1.00 0.00 H new ATOM 446 N ASN A 26 6.172 -7.901 6.326 1.00 0.00 N ATOM 447 CA ASN A 26 6.181 -9.104 5.505 1.00 0.00 C ATOM 448 C ASN A 26 7.308 -9.092 4.479 1.00 0.00 C ATOM 449 O ASN A 26 8.067 -10.055 4.418 1.00 0.00 O ATOM 450 CB ASN A 26 4.833 -9.276 4.772 1.00 0.00 C ATOM 451 CG ASN A 26 3.645 -9.453 5.696 1.00 0.00 C ATOM 452 OD1 ASN A 26 3.169 -10.558 5.927 1.00 0.00 O ATOM 453 ND2 ASN A 26 3.090 -8.363 6.179 1.00 0.00 N ATOM 0 H ASN A 26 5.461 -7.224 6.048 1.00 0.00 H new ATOM 0 HA ASN A 26 6.343 -9.942 6.183 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.662 -8.405 4.140 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.898 -10.141 4.112 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.251 -8.430 6.755 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.499 -7.450 5.978 1.00 0.00 H new ATOM 460 N SER A 27 7.417 -8.011 3.696 1.00 0.00 N ATOM 461 CA SER A 27 8.405 -7.812 2.629 1.00 0.00 C ATOM 462 C SER A 27 8.481 -9.003 1.653 1.00 0.00 C ATOM 463 O SER A 27 9.524 -9.280 1.054 1.00 0.00 O ATOM 464 CB SER A 27 9.754 -7.435 3.248 1.00 0.00 C ATOM 465 OG SER A 27 10.435 -6.526 2.400 1.00 0.00 O ATOM 0 H SER A 27 6.788 -7.214 3.794 1.00 0.00 H new ATOM 0 HA SER A 27 8.082 -6.980 2.003 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.601 -6.986 4.229 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.359 -8.330 3.397 1.00 0.00 H new ATOM 0 HG SER A 27 11.297 -6.287 2.801 1.00 0.00 H new ATOM 834 N ILE A3289 7.035 7.051 6.134 1.00 0.00 N ATOM 835 CA ILE A3289 8.359 7.504 5.712 1.00 0.00 C ATOM 836 C ILE A3289 8.360 7.690 4.188 1.00 0.00 C ATOM 837 O ILE A3289 8.593 6.758 3.416 1.00 0.00 O ATOM 838 CB ILE A3289 9.466 6.559 6.233 1.00 0.00 C ATOM 839 CG1 ILE A3289 9.320 6.221 7.739 1.00 0.00 C ATOM 840 CG2 ILE A3289 10.822 7.243 5.991 1.00 0.00 C ATOM 841 CD1 ILE A3289 10.190 5.037 8.177 1.00 0.00 C ATOM 0 HA ILE A3289 8.588 8.473 6.156 1.00 0.00 H new ATOM 0 HB ILE A3289 9.385 5.614 5.695 1.00 0.00 H new ATOM 0 HG12 ILE A3289 9.586 7.098 8.329 1.00 0.00 H new ATOM 0 HG13 ILE A3289 8.276 5.996 7.955 1.00 0.00 H new ATOM 0 HG21 ILE A3289 11.624 6.598 6.350 1.00 0.00 H new ATOM 0 HG22 ILE A3289 10.952 7.425 4.924 1.00 0.00 H new ATOM 0 HG23 ILE A3289 10.852 8.191 6.527 1.00 0.00 H new ATOM 0 HD11 ILE A3289 10.043 4.851 9.241 1.00 0.00 H new ATOM 0 HD12 ILE A3289 9.908 4.149 7.611 1.00 0.00 H new ATOM 0 HD13 ILE A3289 11.239 5.268 7.991 1.00 0.00 H new ATOM 853 N GLU A3290 8.113 8.924 3.769 1.00 0.00 N ATOM 854 CA GLU A3290 8.036 9.396 2.390 1.00 0.00 C ATOM 855 C GLU A3290 9.367 9.316 1.618 1.00 0.00 C ATOM 856 O GLU A3290 9.412 9.515 0.403 1.00 0.00 O ATOM 857 CB GLU A3290 7.535 10.842 2.477 1.00 0.00 C ATOM 858 CG GLU A3290 6.987 11.384 1.153 1.00 0.00 C ATOM 859 CD GLU A3290 5.781 12.281 1.432 1.00 0.00 C ATOM 860 OE1 GLU A3290 4.713 11.735 1.798 1.00 0.00 O ATOM 861 OE2 GLU A3290 5.906 13.526 1.368 1.00 0.00 O ATOM 0 H GLU A3290 7.949 9.680 4.434 1.00 0.00 H new ATOM 0 HA GLU A3290 7.366 8.751 1.822 1.00 0.00 H new ATOM 0 HB2 GLU A3290 6.754 10.902 3.235 1.00 0.00 H new ATOM 0 HB3 GLU A3290 8.353 11.481 2.811 1.00 0.00 H new ATOM 0 HG2 GLU A3290 7.760 11.947 0.630 1.00 0.00 H new ATOM 0 HG3 GLU A3290 6.698 10.559 0.502 1.00 0.00 H new ATOM 868 N THR A3291 10.458 8.983 2.305 1.00 0.00 N ATOM 869 CA THR A3291 11.795 8.886 1.734 1.00 0.00 C ATOM 870 C THR A3291 12.459 7.534 2.031 1.00 0.00 C ATOM 871 O THR A3291 13.677 7.451 2.193 1.00 0.00 O ATOM 872 CB THR A3291 12.549 10.176 2.129 1.00 0.00 C ATOM 873 OG1 THR A3291 13.669 10.440 1.305 1.00 0.00 O ATOM 874 CG2 THR A3291 12.949 10.218 3.609 1.00 0.00 C ATOM 0 H THR A3291 10.433 8.768 3.302 1.00 0.00 H new ATOM 0 HA THR A3291 11.791 8.859 0.644 1.00 0.00 H new ATOM 0 HB THR A3291 11.824 10.973 1.966 1.00 0.00 H new ATOM 0 HG1 THR A3291 14.105 11.267 1.600 1.00 0.00 H new ATOM 0 HG21 THR A3291 13.474 11.150 3.818 1.00 0.00 H new ATOM 0 HG22 THR A3291 12.055 10.159 4.229 1.00 0.00 H new ATOM 0 HG23 THR A3291 13.603 9.375 3.833 1.00 0.00 H new ATOM 882 N PHE A3292 11.656 6.469 2.143 1.00 0.00 N ATOM 883 CA PHE A3292 12.146 5.123 2.418 1.00 0.00 C ATOM 884 C PHE A3292 11.377 4.059 1.638 1.00 0.00 C ATOM 885 O PHE A3292 11.993 3.113 1.141 1.00 0.00 O ATOM 886 CB PHE A3292 12.072 4.881 3.925 1.00 0.00 C ATOM 887 CG PHE A3292 12.577 3.528 4.402 1.00 0.00 C ATOM 888 CD1 PHE A3292 13.805 3.010 3.950 1.00 0.00 C ATOM 889 CD2 PHE A3292 11.797 2.766 5.289 1.00 0.00 C ATOM 890 CE1 PHE A3292 14.207 1.716 4.327 1.00 0.00 C ATOM 891 CE2 PHE A3292 12.189 1.468 5.658 1.00 0.00 C ATOM 892 CZ PHE A3292 13.390 0.938 5.163 1.00 0.00 C ATOM 0 H PHE A3292 10.642 6.523 2.044 1.00 0.00 H new ATOM 0 HA PHE A3292 13.181 5.044 2.084 1.00 0.00 H new ATOM 0 HB2 PHE A3292 12.645 5.660 4.428 1.00 0.00 H new ATOM 0 HB3 PHE A3292 11.035 4.993 4.242 1.00 0.00 H new ATOM 0 HD1 PHE A3292 14.440 3.607 3.312 1.00 0.00 H new ATOM 0 HD2 PHE A3292 10.886 3.183 5.692 1.00 0.00 H new ATOM 0 HE1 PHE A3292 15.147 1.320 3.972 1.00 0.00 H new ATOM 0 HE2 PHE A3292 11.569 0.881 6.319 1.00 0.00 H new ATOM 0 HZ PHE A3292 13.686 -0.067 5.425 1.00 0.00 H new ATOM 902 N PHE A3293 10.053 4.189 1.503 1.00 0.00 N ATOM 903 CA PHE A3293 9.238 3.223 0.761 1.00 0.00 C ATOM 904 C PHE A3293 8.220 3.899 -0.148 1.00 0.00 C ATOM 905 O PHE A3293 7.363 3.205 -0.688 1.00 0.00 O ATOM 906 CB PHE A3293 8.584 2.198 1.713 1.00 0.00 C ATOM 907 CG PHE A3293 8.177 2.748 3.065 1.00 0.00 C ATOM 908 CD1 PHE A3293 8.722 2.222 4.250 1.00 0.00 C ATOM 909 CD2 PHE A3293 7.269 3.816 3.134 1.00 0.00 C ATOM 910 CE1 PHE A3293 8.320 2.734 5.498 1.00 0.00 C ATOM 911 CE2 PHE A3293 6.885 4.335 4.374 1.00 0.00 C ATOM 912 CZ PHE A3293 7.383 3.777 5.566 1.00 0.00 C ATOM 0 H PHE A3293 9.520 4.961 1.902 1.00 0.00 H new ATOM 0 HA PHE A3293 9.909 2.673 0.102 1.00 0.00 H new ATOM 0 HB2 PHE A3293 7.701 1.784 1.226 1.00 0.00 H new ATOM 0 HB3 PHE A3293 9.280 1.373 1.868 1.00 0.00 H new ATOM 0 HD1 PHE A3293 9.449 1.425 4.202 1.00 0.00 H new ATOM 0 HD2 PHE A3293 6.865 4.238 2.226 1.00 0.00 H new ATOM 0 HE1 PHE A3293 8.734 2.323 6.407 1.00 0.00 H new ATOM 0 HE2 PHE A3293 6.201 5.170 4.417 1.00 0.00 H new ATOM 0 HZ PHE A3293 7.048 4.147 6.523 1.00 0.00 H new ATOM 922 N ALA A3294 8.265 5.225 -0.322 1.00 0.00 N ATOM 923 CA ALA A3294 7.325 5.952 -1.176 1.00 0.00 C ATOM 924 C ALA A3294 7.291 5.369 -2.588 1.00 0.00 C ATOM 925 O ALA A3294 6.239 5.361 -3.223 1.00 0.00 O ATOM 926 CB ALA A3294 7.651 7.436 -1.201 1.00 0.00 C ATOM 0 H ALA A3294 8.957 5.824 0.128 1.00 0.00 H new ATOM 0 HA ALA A3294 6.329 5.835 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA A3294 6.938 7.954 -1.842 1.00 0.00 H new ATOM 0 HB2 ALA A3294 7.589 7.839 -0.190 1.00 0.00 H new ATOM 0 HB3 ALA A3294 8.660 7.580 -1.588 1.00 0.00 H new ATOM 932 N GLN A3295 8.433 4.863 -3.056 1.00 0.00 N ATOM 933 CA GLN A3295 8.582 4.259 -4.379 1.00 0.00 C ATOM 934 C GLN A3295 7.612 3.083 -4.539 1.00 0.00 C ATOM 935 O GLN A3295 7.059 2.888 -5.612 1.00 0.00 O ATOM 936 CB GLN A3295 10.040 3.830 -4.583 1.00 0.00 C ATOM 937 CG GLN A3295 11.050 4.974 -4.419 1.00 0.00 C ATOM 938 CD GLN A3295 11.082 5.925 -5.616 1.00 0.00 C ATOM 939 OE1 GLN A3295 12.013 5.863 -6.418 1.00 0.00 O ATOM 940 NE2 GLN A3295 10.127 6.832 -5.753 1.00 0.00 N ATOM 0 H GLN A3295 9.297 4.862 -2.514 1.00 0.00 H new ATOM 0 HA GLN A3295 8.333 4.990 -5.149 1.00 0.00 H new ATOM 0 HB2 GLN A3295 10.280 3.041 -3.871 1.00 0.00 H new ATOM 0 HB3 GLN A3295 10.147 3.403 -5.580 1.00 0.00 H new ATOM 0 HG2 GLN A3295 10.806 5.540 -3.520 1.00 0.00 H new ATOM 0 HG3 GLN A3295 12.045 4.554 -4.270 1.00 0.00 H new ATOM 0 HE21 GLN A3295 9.361 6.872 -5.080 1.00 0.00 H new ATOM 0 HE22 GLN A3295 10.157 7.491 -6.531 1.00 0.00 H new ATOM 949 N ASP A3296 7.471 2.250 -3.511 1.00 0.00 N ATOM 950 CA ASP A3296 6.537 1.124 -3.520 1.00 0.00 C ATOM 951 C ASP A3296 5.132 1.600 -3.187 1.00 0.00 C ATOM 952 O ASP A3296 4.131 1.167 -3.745 1.00 0.00 O ATOM 953 CB ASP A3296 6.892 0.094 -2.436 1.00 0.00 C ATOM 954 CG ASP A3296 7.922 -0.946 -2.831 1.00 0.00 C ATOM 955 OD1 ASP A3296 8.903 -0.620 -3.532 1.00 0.00 O ATOM 956 OD2 ASP A3296 7.803 -2.072 -2.290 1.00 0.00 O ATOM 0 H ASP A3296 8.002 2.336 -2.645 1.00 0.00 H new ATOM 0 HA ASP A3296 6.596 0.683 -4.515 1.00 0.00 H new ATOM 0 HB2 ASP A3296 7.259 0.628 -1.559 1.00 0.00 H new ATOM 0 HB3 ASP A3296 5.979 -0.421 -2.137 1.00 0.00 H new ATOM 961 N ILE A3297 5.042 2.493 -2.207 1.00 0.00 N ATOM 962 CA ILE A3297 3.800 3.037 -1.703 1.00 0.00 C ATOM 963 C ILE A3297 2.941 3.617 -2.815 1.00 0.00 C ATOM 964 O ILE A3297 1.735 3.385 -2.783 1.00 0.00 O ATOM 965 CB ILE A3297 4.145 4.049 -0.584 1.00 0.00 C ATOM 966 CG1 ILE A3297 3.843 3.486 0.808 1.00 0.00 C ATOM 967 CG2 ILE A3297 3.484 5.416 -0.766 1.00 0.00 C ATOM 968 CD1 ILE A3297 4.680 2.252 1.163 1.00 0.00 C ATOM 0 H ILE A3297 5.863 2.866 -1.730 1.00 0.00 H new ATOM 0 HA ILE A3297 3.182 2.248 -1.276 1.00 0.00 H new ATOM 0 HB ILE A3297 5.220 4.210 -0.668 1.00 0.00 H new ATOM 0 HG12 ILE A3297 4.021 4.262 1.552 1.00 0.00 H new ATOM 0 HG13 ILE A3297 2.786 3.227 0.865 1.00 0.00 H new ATOM 0 HG21 ILE A3297 3.772 6.072 0.056 1.00 0.00 H new ATOM 0 HG22 ILE A3297 3.808 5.854 -1.710 1.00 0.00 H new ATOM 0 HG23 ILE A3297 2.400 5.298 -0.774 1.00 0.00 H new ATOM 0 HD11 ILE A3297 4.414 1.907 2.162 1.00 0.00 H new ATOM 0 HD12 ILE A3297 4.484 1.459 0.441 1.00 0.00 H new ATOM 0 HD13 ILE A3297 5.738 2.511 1.139 1.00 0.00 H new ATOM 980 N GLU A3298 3.543 4.351 -3.747 1.00 0.00 N ATOM 981 CA GLU A3298 2.882 4.992 -4.872 1.00 0.00 C ATOM 982 C GLU A3298 2.248 3.933 -5.777 1.00 0.00 C ATOM 983 O GLU A3298 1.145 4.119 -6.277 1.00 0.00 O ATOM 984 CB GLU A3298 3.928 5.876 -5.585 1.00 0.00 C ATOM 985 CG GLU A3298 4.972 5.067 -6.376 1.00 0.00 C ATOM 986 CD GLU A3298 4.550 4.694 -7.805 1.00 0.00 C ATOM 987 OE1 GLU A3298 3.551 5.246 -8.322 1.00 0.00 O ATOM 988 OE2 GLU A3298 5.187 3.812 -8.418 1.00 0.00 O ATOM 0 H GLU A3298 4.549 4.520 -3.735 1.00 0.00 H new ATOM 0 HA GLU A3298 2.060 5.633 -4.552 1.00 0.00 H new ATOM 0 HB2 GLU A3298 3.415 6.557 -6.264 1.00 0.00 H new ATOM 0 HB3 GLU A3298 4.440 6.490 -4.844 1.00 0.00 H new ATOM 0 HG2 GLU A3298 5.897 5.642 -6.424 1.00 0.00 H new ATOM 0 HG3 GLU A3298 5.194 4.152 -5.827 1.00 0.00 H new ATOM 995 N SER A3299 2.934 2.803 -5.940 1.00 0.00 N ATOM 996 CA SER A3299 2.536 1.673 -6.767 1.00 0.00 C ATOM 997 C SER A3299 1.352 0.962 -6.122 1.00 0.00 C ATOM 998 O SER A3299 0.355 0.646 -6.774 1.00 0.00 O ATOM 999 CB SER A3299 3.757 0.757 -6.962 1.00 0.00 C ATOM 1000 OG SER A3299 3.450 -0.485 -7.571 1.00 0.00 O ATOM 0 H SER A3299 3.827 2.646 -5.474 1.00 0.00 H new ATOM 0 HA SER A3299 2.205 1.999 -7.753 1.00 0.00 H new ATOM 0 HB2 SER A3299 4.496 1.277 -7.572 1.00 0.00 H new ATOM 0 HB3 SER A3299 4.218 0.571 -5.992 1.00 0.00 H new ATOM 0 HG SER A3299 4.269 -1.014 -7.665 1.00 0.00 H new ATOM 1006 N VAL A3300 1.451 0.727 -4.820 1.00 0.00 N ATOM 1007 CA VAL A3300 0.427 0.058 -4.047 1.00 0.00 C ATOM 1008 C VAL A3300 -0.817 0.944 -3.982 1.00 0.00 C ATOM 1009 O VAL A3300 -1.929 0.506 -4.262 1.00 0.00 O ATOM 1010 CB VAL A3300 1.015 -0.267 -2.661 1.00 0.00 C ATOM 1011 CG1 VAL A3300 -0.060 -0.787 -1.707 1.00 0.00 C ATOM 1012 CG2 VAL A3300 2.156 -1.293 -2.732 1.00 0.00 C ATOM 0 H VAL A3300 2.262 1.003 -4.267 1.00 0.00 H new ATOM 0 HA VAL A3300 0.116 -0.880 -4.508 1.00 0.00 H new ATOM 0 HB VAL A3300 1.418 0.672 -2.282 1.00 0.00 H new ATOM 0 HG11 VAL A3300 0.389 -1.007 -0.738 1.00 0.00 H new ATOM 0 HG12 VAL A3300 -0.835 -0.030 -1.585 1.00 0.00 H new ATOM 0 HG13 VAL A3300 -0.501 -1.695 -2.117 1.00 0.00 H new ATOM 0 HG21 VAL A3300 2.535 -1.486 -1.728 1.00 0.00 H new ATOM 0 HG22 VAL A3300 1.784 -2.222 -3.164 1.00 0.00 H new ATOM 0 HG23 VAL A3300 2.960 -0.900 -3.354 1.00 0.00 H new ATOM 1022 N GLN A3301 -0.664 2.209 -3.597 1.00 0.00 N ATOM 1023 CA GLN A3301 -1.786 3.121 -3.480 1.00 0.00 C ATOM 1024 C GLN A3301 -2.457 3.354 -4.829 1.00 0.00 C ATOM 1025 O GLN A3301 -3.666 3.578 -4.841 1.00 0.00 O ATOM 1026 CB GLN A3301 -1.407 4.372 -2.691 1.00 0.00 C ATOM 1027 CG GLN A3301 -0.525 5.374 -3.437 1.00 0.00 C ATOM 1028 CD GLN A3301 -1.259 6.683 -3.665 1.00 0.00 C ATOM 1029 OE1 GLN A3301 -0.914 7.707 -3.088 1.00 0.00 O ATOM 1030 NE2 GLN A3301 -2.343 6.646 -4.418 1.00 0.00 N ATOM 0 H GLN A3301 0.237 2.623 -3.360 1.00 0.00 H new ATOM 0 HA GLN A3301 -2.568 2.659 -2.877 1.00 0.00 H new ATOM 0 HB2 GLN A3301 -2.322 4.878 -2.383 1.00 0.00 H new ATOM 0 HB3 GLN A3301 -0.890 4.065 -1.782 1.00 0.00 H new ATOM 0 HG2 GLN A3301 0.385 5.558 -2.866 1.00 0.00 H new ATOM 0 HG3 GLN A3301 -0.220 4.953 -4.395 1.00 0.00 H new ATOM 0 HE21 GLN A3301 -2.608 5.780 -4.888 1.00 0.00 H new ATOM 0 HE22 GLN A3301 -2.915 7.483 -4.530 1.00 0.00 H new ATOM 1039 N LYS A3302 -1.708 3.298 -5.939 1.00 0.00 N ATOM 1040 CA LYS A3302 -2.235 3.460 -7.293 1.00 0.00 C ATOM 1041 C LYS A3302 -3.308 2.410 -7.572 1.00 0.00 C ATOM 1042 O LYS A3302 -4.193 2.641 -8.397 1.00 0.00 O ATOM 1043 CB LYS A3302 -1.119 3.344 -8.338 1.00 0.00 C ATOM 1044 CG LYS A3302 -0.643 4.707 -8.845 1.00 0.00 C ATOM 1045 CD LYS A3302 0.605 4.587 -9.732 1.00 0.00 C ATOM 1046 CE LYS A3302 0.412 3.638 -10.920 1.00 0.00 C ATOM 1047 NZ LYS A3302 1.545 3.668 -11.864 1.00 0.00 N ATOM 0 H LYS A3302 -0.701 3.136 -5.916 1.00 0.00 H new ATOM 0 HA LYS A3302 -2.674 4.455 -7.363 1.00 0.00 H new ATOM 0 HB2 LYS A3302 -0.275 2.807 -7.905 1.00 0.00 H new ATOM 0 HB3 LYS A3302 -1.476 2.751 -9.181 1.00 0.00 H new ATOM 0 HG2 LYS A3302 -1.444 5.184 -9.409 1.00 0.00 H new ATOM 0 HG3 LYS A3302 -0.423 5.353 -7.995 1.00 0.00 H new ATOM 0 HD2 LYS A3302 0.874 5.575 -10.105 1.00 0.00 H new ATOM 0 HD3 LYS A3302 1.441 4.236 -9.127 1.00 0.00 H new ATOM 0 HE2 LYS A3302 0.280 2.621 -10.550 1.00 0.00 H new ATOM 0 HE3 LYS A3302 -0.503 3.906 -11.449 1.00 0.00 H new ATOM 0 HZ1 LYS A3302 1.362 3.008 -12.647 1.00 0.00 H new ATOM 0 HZ2 LYS A3302 1.657 4.631 -12.241 1.00 0.00 H new ATOM 0 HZ3 LYS A3302 2.416 3.386 -11.370 1.00 0.00 H new ATOM 1061 N GLU A3303 -3.227 1.256 -6.918 1.00 0.00 N ATOM 1062 CA GLU A3303 -4.216 0.208 -7.113 1.00 0.00 C ATOM 1063 C GLU A3303 -5.502 0.551 -6.349 1.00 0.00 C ATOM 1064 O GLU A3303 -6.606 0.451 -6.879 1.00 0.00 O ATOM 1065 CB GLU A3303 -3.590 -1.172 -6.823 1.00 0.00 C ATOM 1066 CG GLU A3303 -3.873 -1.767 -5.442 1.00 0.00 C ATOM 1067 CD GLU A3303 -2.855 -2.843 -5.057 1.00 0.00 C ATOM 1068 OE1 GLU A3303 -2.712 -3.832 -5.811 1.00 0.00 O ATOM 1069 OE2 GLU A3303 -2.202 -2.728 -3.992 1.00 0.00 O ATOM 0 H GLU A3303 -2.490 1.026 -6.252 1.00 0.00 H new ATOM 0 HA GLU A3303 -4.531 0.145 -8.155 1.00 0.00 H new ATOM 0 HB2 GLU A3303 -3.945 -1.874 -7.577 1.00 0.00 H new ATOM 0 HB3 GLU A3303 -2.510 -1.091 -6.946 1.00 0.00 H new ATOM 0 HG2 GLU A3303 -3.859 -0.972 -4.696 1.00 0.00 H new ATOM 0 HG3 GLU A3303 -4.875 -2.196 -5.432 1.00 0.00 H new ATOM 1076 N LEU A3304 -5.368 1.062 -5.127 1.00 0.00 N ATOM 1077 CA LEU A3304 -6.470 1.391 -4.245 1.00 0.00 C ATOM 1078 C LEU A3304 -7.323 2.557 -4.709 1.00 0.00 C ATOM 1079 O LEU A3304 -8.527 2.539 -4.488 1.00 0.00 O ATOM 1080 CB LEU A3304 -5.902 1.659 -2.850 1.00 0.00 C ATOM 1081 CG LEU A3304 -5.070 0.488 -2.291 1.00 0.00 C ATOM 1082 CD1 LEU A3304 -4.466 0.878 -0.957 1.00 0.00 C ATOM 1083 CD2 LEU A3304 -5.837 -0.822 -2.143 1.00 0.00 C ATOM 0 H LEU A3304 -4.456 1.263 -4.716 1.00 0.00 H new ATOM 0 HA LEU A3304 -7.148 0.538 -4.242 1.00 0.00 H new ATOM 0 HB2 LEU A3304 -5.279 2.553 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU A3304 -6.724 1.870 -2.166 1.00 0.00 H new ATOM 0 HG LEU A3304 -4.294 0.297 -3.032 1.00 0.00 H new ATOM 0 HD11 LEU A3304 -3.879 0.047 -0.566 1.00 0.00 H new ATOM 0 HD12 LEU A3304 -3.821 1.747 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A3304 -5.263 1.121 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A3304 -5.173 -1.589 -1.744 1.00 0.00 H new ATOM 0 HD22 LEU A3304 -6.676 -0.678 -1.462 1.00 0.00 H new ATOM 0 HD23 LEU A3304 -6.211 -1.137 -3.117 1.00 0.00 H new ATOM 1095 N GLU A3305 -6.731 3.564 -5.343 1.00 0.00 N ATOM 1096 CA GLU A3305 -7.442 4.745 -5.850 1.00 0.00 C ATOM 1097 C GLU A3305 -8.457 4.400 -6.946 1.00 0.00 C ATOM 1098 O GLU A3305 -9.220 5.278 -7.353 1.00 0.00 O ATOM 1099 CB GLU A3305 -6.448 5.813 -6.344 1.00 0.00 C ATOM 1100 CG GLU A3305 -5.482 5.194 -7.355 1.00 0.00 C ATOM 1101 CD GLU A3305 -4.411 6.147 -7.881 1.00 0.00 C ATOM 1102 OE1 GLU A3305 -4.232 6.209 -9.123 1.00 0.00 O ATOM 1103 OE2 GLU A3305 -3.668 6.716 -7.055 1.00 0.00 O ATOM 0 H GLU A3305 -5.728 3.588 -5.525 1.00 0.00 H new ATOM 0 HA GLU A3305 -8.009 5.152 -5.013 1.00 0.00 H new ATOM 0 HB2 GLU A3305 -6.988 6.641 -6.803 1.00 0.00 H new ATOM 0 HB3 GLU A3305 -5.892 6.224 -5.501 1.00 0.00 H new ATOM 0 HG2 GLU A3305 -4.991 4.338 -6.891 1.00 0.00 H new ATOM 0 HG3 GLU A3305 -6.056 4.813 -8.199 1.00 0.00 H new ATOM 1110 N ASN A3306 -8.390 3.185 -7.503 1.00 0.00 N ATOM 1111 CA ASN A3306 -9.308 2.695 -8.524 1.00 0.00 C ATOM 1112 C ASN A3306 -10.140 1.510 -8.020 1.00 0.00 C ATOM 1113 O ASN A3306 -10.996 1.037 -8.768 1.00 0.00 O ATOM 1114 CB ASN A3306 -8.593 2.391 -9.850 1.00 0.00 C ATOM 1115 CG ASN A3306 -7.761 1.118 -9.846 1.00 0.00 C ATOM 1116 OD1 ASN A3306 -8.266 0.004 -9.963 1.00 0.00 O ATOM 1117 ND2 ASN A3306 -6.450 1.252 -9.759 1.00 0.00 N ATOM 0 H ASN A3306 -7.677 2.503 -7.246 1.00 0.00 H new ATOM 0 HA ASN A3306 -10.010 3.502 -8.735 1.00 0.00 H new ATOM 0 HB2 ASN A3306 -9.339 2.319 -10.641 1.00 0.00 H new ATOM 0 HB3 ASN A3306 -7.945 3.232 -10.099 1.00 0.00 H new ATOM 0 HD21 ASN A3306 -5.850 0.428 -9.789 1.00 0.00 H new ATOM 0 HD22 ASN A3306 -6.038 2.180 -9.662 1.00 0.00 H new ATOM 1124 N LEU A3307 -9.888 0.989 -6.810 1.00 0.00 N ATOM 1125 CA LEU A3307 -10.661 -0.149 -6.301 1.00 0.00 C ATOM 1126 C LEU A3307 -12.010 0.317 -5.737 1.00 0.00 C ATOM 1127 O LEU A3307 -12.124 1.464 -5.311 1.00 0.00 O ATOM 1128 CB LEU A3307 -9.861 -0.930 -5.232 1.00 0.00 C ATOM 1129 CG LEU A3307 -9.244 -2.304 -5.595 1.00 0.00 C ATOM 1130 CD1 LEU A3307 -9.779 -2.947 -6.868 1.00 0.00 C ATOM 1131 CD2 LEU A3307 -7.727 -2.315 -5.704 1.00 0.00 C ATOM 0 H LEU A3307 -9.167 1.332 -6.176 1.00 0.00 H new ATOM 0 HA LEU A3307 -10.855 -0.823 -7.136 1.00 0.00 H new ATOM 0 HB2 LEU A3307 -9.049 -0.285 -4.896 1.00 0.00 H new ATOM 0 HB3 LEU A3307 -10.520 -1.083 -4.378 1.00 0.00 H new ATOM 0 HG LEU A3307 -9.562 -2.890 -4.733 1.00 0.00 H new ATOM 0 HD11 LEU A3307 -9.281 -3.903 -7.029 1.00 0.00 H new ATOM 0 HD12 LEU A3307 -10.853 -3.108 -6.771 1.00 0.00 H new ATOM 0 HD13 LEU A3307 -9.586 -2.290 -7.716 1.00 0.00 H new ATOM 0 HD21 LEU A3307 -7.388 -3.318 -5.961 1.00 0.00 H new ATOM 0 HD22 LEU A3307 -7.413 -1.616 -6.479 1.00 0.00 H new ATOM 0 HD23 LEU A3307 -7.291 -2.018 -4.750 1.00 0.00 H new ATOM 1143 N SER A3308 -13.003 -0.581 -5.721 1.00 0.00 N ATOM 1144 CA SER A3308 -14.368 -0.376 -5.227 1.00 0.00 C ATOM 1145 C SER A3308 -14.448 -0.558 -3.704 1.00 0.00 C ATOM 1146 O SER A3308 -13.460 -0.957 -3.091 1.00 0.00 O ATOM 1147 CB SER A3308 -15.287 -1.375 -5.935 1.00 0.00 C ATOM 1148 OG SER A3308 -15.251 -1.163 -7.334 1.00 0.00 O ATOM 0 H SER A3308 -12.865 -1.528 -6.075 1.00 0.00 H new ATOM 0 HA SER A3308 -14.681 0.646 -5.443 1.00 0.00 H new ATOM 0 HB2 SER A3308 -14.975 -2.394 -5.706 1.00 0.00 H new ATOM 0 HB3 SER A3308 -16.308 -1.265 -5.569 1.00 0.00 H new ATOM 0 HG SER A3308 -15.841 -1.808 -7.778 1.00 0.00 H new ATOM 1154 N GLU A3309 -15.593 -0.278 -3.059 1.00 0.00 N ATOM 1155 CA GLU A3309 -15.696 -0.432 -1.612 1.00 0.00 C ATOM 1156 C GLU A3309 -15.526 -1.883 -1.267 1.00 0.00 C ATOM 1157 O GLU A3309 -14.635 -2.190 -0.508 1.00 0.00 O ATOM 1158 CB GLU A3309 -17.060 -0.003 -1.045 1.00 0.00 C ATOM 1159 CG GLU A3309 -17.080 1.447 -0.586 1.00 0.00 C ATOM 1160 CD GLU A3309 -18.095 1.698 0.522 1.00 0.00 C ATOM 1161 OE1 GLU A3309 -17.989 1.095 1.611 1.00 0.00 O ATOM 1162 OE2 GLU A3309 -19.030 2.496 0.289 1.00 0.00 O ATOM 0 H GLU A3309 -16.444 0.051 -3.515 1.00 0.00 H new ATOM 0 HA GLU A3309 -14.925 0.206 -1.180 1.00 0.00 H new ATOM 0 HB2 GLU A3309 -17.826 -0.149 -1.806 1.00 0.00 H new ATOM 0 HB3 GLU A3309 -17.318 -0.648 -0.205 1.00 0.00 H new ATOM 0 HG2 GLU A3309 -16.087 1.726 -0.234 1.00 0.00 H new ATOM 0 HG3 GLU A3309 -17.309 2.090 -1.436 1.00 0.00 H new ATOM 1169 N GLU A3310 -16.247 -2.777 -1.923 1.00 0.00 N ATOM 1170 CA GLU A3310 -16.203 -4.208 -1.659 1.00 0.00 C ATOM 1171 C GLU A3310 -14.766 -4.726 -1.682 1.00 0.00 C ATOM 1172 O GLU A3310 -14.518 -5.825 -1.195 1.00 0.00 O ATOM 1173 CB GLU A3310 -17.092 -4.956 -2.667 1.00 0.00 C ATOM 1174 CG GLU A3310 -18.461 -4.289 -2.883 1.00 0.00 C ATOM 1175 CD GLU A3310 -19.251 -4.069 -1.590 1.00 0.00 C ATOM 1176 OE1 GLU A3310 -19.484 -2.886 -1.245 1.00 0.00 O ATOM 1177 OE2 GLU A3310 -19.639 -5.058 -0.931 1.00 0.00 O ATOM 0 H GLU A3310 -16.894 -2.524 -2.670 1.00 0.00 H new ATOM 0 HA GLU A3310 -16.594 -4.393 -0.658 1.00 0.00 H new ATOM 0 HB2 GLU A3310 -16.572 -5.019 -3.623 1.00 0.00 H new ATOM 0 HB3 GLU A3310 -17.244 -5.978 -2.319 1.00 0.00 H new ATOM 0 HG2 GLU A3310 -18.313 -3.328 -3.376 1.00 0.00 H new ATOM 0 HG3 GLU A3310 -19.053 -4.906 -3.559 1.00 0.00 H new ATOM 1184 N GLU A3311 -13.879 -4.077 -2.444 1.00 0.00 N ATOM 1185 CA GLU A3311 -12.495 -4.462 -2.498 1.00 0.00 C ATOM 1186 C GLU A3311 -11.720 -3.911 -1.298 1.00 0.00 C ATOM 1187 O GLU A3311 -10.972 -4.639 -0.655 1.00 0.00 O ATOM 1188 CB GLU A3311 -11.887 -3.877 -3.764 1.00 0.00 C ATOM 1189 CG GLU A3311 -12.536 -4.347 -5.074 1.00 0.00 C ATOM 1190 CD GLU A3311 -11.711 -5.376 -5.846 1.00 0.00 C ATOM 1191 OE1 GLU A3311 -10.749 -5.975 -5.303 1.00 0.00 O ATOM 1192 OE2 GLU A3311 -12.012 -5.566 -7.043 1.00 0.00 O ATOM 0 H GLU A3311 -14.114 -3.277 -3.031 1.00 0.00 H new ATOM 0 HA GLU A3311 -12.434 -5.550 -2.486 1.00 0.00 H new ATOM 0 HB2 GLU A3311 -11.954 -2.790 -3.712 1.00 0.00 H new ATOM 0 HB3 GLU A3311 -10.827 -4.130 -3.790 1.00 0.00 H new ATOM 0 HG2 GLU A3311 -13.513 -4.775 -4.850 1.00 0.00 H new ATOM 0 HG3 GLU A3311 -12.707 -3.481 -5.713 1.00 0.00 H new ATOM 1199 N LEU A3312 -11.820 -2.598 -1.049 1.00 0.00 N ATOM 1200 CA LEU A3312 -11.123 -1.878 0.025 1.00 0.00 C ATOM 1201 C LEU A3312 -11.718 -2.060 1.414 1.00 0.00 C ATOM 1202 O LEU A3312 -11.030 -2.424 2.366 1.00 0.00 O ATOM 1203 CB LEU A3312 -11.095 -0.364 -0.243 1.00 0.00 C ATOM 1204 CG LEU A3312 -10.769 0.056 -1.680 1.00 0.00 C ATOM 1205 CD1 LEU A3312 -11.535 1.331 -1.999 1.00 0.00 C ATOM 1206 CD2 LEU A3312 -9.263 0.161 -1.898 1.00 0.00 C ATOM 0 H LEU A3312 -12.411 -1.986 -1.611 1.00 0.00 H new ATOM 0 HA LEU A3312 -10.126 -2.319 0.017 1.00 0.00 H new ATOM 0 HB2 LEU A3312 -12.067 0.051 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A3312 -10.361 0.090 0.423 1.00 0.00 H new ATOM 0 HG LEU A3312 -11.096 -0.707 -2.386 1.00 0.00 H new ATOM 0 HD11 LEU A3312 -11.313 1.643 -3.020 1.00 0.00 H new ATOM 0 HD12 LEU A3312 -12.605 1.147 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A3312 -11.237 2.118 -1.306 1.00 0.00 H new ATOM 0 HD21 LEU A3312 -9.064 0.461 -2.927 1.00 0.00 H new ATOM 0 HD22 LEU A3312 -8.848 0.904 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A3312 -8.799 -0.807 -1.706 1.00 0.00 H new ATOM 1218 N LEU A3313 -13.015 -1.779 1.515 1.00 0.00 N ATOM 1219 CA LEU A3313 -13.850 -1.861 2.691 1.00 0.00 C ATOM 1220 C LEU A3313 -13.689 -3.270 3.234 1.00 0.00 C ATOM 1221 O LEU A3313 -13.492 -3.425 4.434 1.00 0.00 O ATOM 1222 CB LEU A3313 -15.307 -1.478 2.316 1.00 0.00 C ATOM 1223 CG LEU A3313 -16.382 -1.638 3.414 1.00 0.00 C ATOM 1224 CD1 LEU A3313 -16.851 -3.083 3.640 1.00 0.00 C ATOM 1225 CD2 LEU A3313 -16.028 -1.032 4.770 1.00 0.00 C ATOM 0 H LEU A3313 -13.545 -1.462 0.703 1.00 0.00 H new ATOM 0 HA LEU A3313 -13.564 -1.160 3.475 1.00 0.00 H new ATOM 0 HB2 LEU A3313 -15.310 -0.438 1.989 1.00 0.00 H new ATOM 0 HB3 LEU A3313 -15.606 -2.082 1.460 1.00 0.00 H new ATOM 0 HG LEU A3313 -17.201 -1.059 2.987 1.00 0.00 H new ATOM 0 HD11 LEU A3313 -17.605 -3.102 4.427 1.00 0.00 H new ATOM 0 HD12 LEU A3313 -17.280 -3.475 2.718 1.00 0.00 H new ATOM 0 HD13 LEU A3313 -16.002 -3.699 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A3313 -16.848 -1.199 5.468 1.00 0.00 H new ATOM 0 HD22 LEU A3313 -15.123 -1.503 5.154 1.00 0.00 H new ATOM 0 HD23 LEU A3313 -15.860 0.039 4.657 1.00 0.00 H new ATOM 1237 N ALA A3314 -13.649 -4.282 2.367 1.00 0.00 N ATOM 1238 CA ALA A3314 -13.504 -5.643 2.839 1.00 0.00 C ATOM 1239 C ALA A3314 -12.149 -5.915 3.510 1.00 0.00 C ATOM 1240 O ALA A3314 -12.049 -6.763 4.395 1.00 0.00 O ATOM 1241 CB ALA A3314 -13.714 -6.585 1.656 1.00 0.00 C ATOM 0 H ALA A3314 -13.714 -4.181 1.354 1.00 0.00 H new ATOM 0 HA ALA A3314 -14.254 -5.813 3.612 1.00 0.00 H new ATOM 0 HB1 ALA A3314 -13.609 -7.617 1.990 1.00 0.00 H new ATOM 0 HB2 ALA A3314 -14.713 -6.436 1.245 1.00 0.00 H new ATOM 0 HB3 ALA A3314 -12.970 -6.375 0.887 1.00 0.00 H new ATOM 1247 N MET A3315 -11.095 -5.183 3.133 1.00 0.00 N ATOM 1248 CA MET A3315 -9.739 -5.359 3.669 1.00 0.00 C ATOM 1249 C MET A3315 -9.644 -4.725 5.043 1.00 0.00 C ATOM 1250 O MET A3315 -9.203 -5.349 6.009 1.00 0.00 O ATOM 1251 CB MET A3315 -8.666 -4.740 2.750 1.00 0.00 C ATOM 1252 CG MET A3315 -8.865 -5.095 1.280 1.00 0.00 C ATOM 1253 SD MET A3315 -7.635 -6.172 0.506 1.00 0.00 S ATOM 1254 CE MET A3315 -6.295 -4.987 0.249 1.00 0.00 C ATOM 0 H MET A3315 -11.160 -4.440 2.437 1.00 0.00 H new ATOM 0 HA MET A3315 -9.551 -6.431 3.731 1.00 0.00 H new ATOM 0 HB2 MET A3315 -8.681 -3.656 2.862 1.00 0.00 H new ATOM 0 HB3 MET A3315 -7.681 -5.080 3.070 1.00 0.00 H new ATOM 0 HG2 MET A3315 -9.840 -5.571 1.178 1.00 0.00 H new ATOM 0 HG3 MET A3315 -8.903 -4.166 0.712 1.00 0.00 H new ATOM 0 HE1 MET A3315 -5.451 -5.489 -0.223 1.00 0.00 H new ATOM 0 HE2 MET A3315 -6.643 -4.179 -0.394 1.00 0.00 H new ATOM 0 HE3 MET A3315 -5.982 -4.577 1.209 1.00 0.00 H new ATOM 1264 N LEU A3316 -9.998 -3.441 5.129 1.00 0.00 N ATOM 1265 CA LEU A3316 -9.976 -2.704 6.388 1.00 0.00 C ATOM 1266 C LEU A3316 -10.989 -3.295 7.367 1.00 0.00 C ATOM 1267 O LEU A3316 -10.731 -3.293 8.571 1.00 0.00 O ATOM 1268 CB LEU A3316 -10.214 -1.204 6.174 1.00 0.00 C ATOM 1269 CG LEU A3316 -11.501 -0.874 5.390 1.00 0.00 C ATOM 1270 CD1 LEU A3316 -12.700 -0.588 6.304 1.00 0.00 C ATOM 1271 CD2 LEU A3316 -11.298 0.370 4.526 1.00 0.00 C ATOM 0 H LEU A3316 -10.306 -2.887 4.330 1.00 0.00 H new ATOM 0 HA LEU A3316 -8.981 -2.807 6.820 1.00 0.00 H new ATOM 0 HB2 LEU A3316 -10.258 -0.712 7.146 1.00 0.00 H new ATOM 0 HB3 LEU A3316 -9.360 -0.784 5.642 1.00 0.00 H new ATOM 0 HG LEU A3316 -11.709 -1.757 4.786 1.00 0.00 H new ATOM 0 HD11 LEU A3316 -13.576 -0.362 5.695 1.00 0.00 H new ATOM 0 HD12 LEU A3316 -12.903 -1.463 6.922 1.00 0.00 H new ATOM 0 HD13 LEU A3316 -12.474 0.264 6.945 1.00 0.00 H new ATOM 0 HD21 LEU A3316 -12.216 0.588 3.980 1.00 0.00 H new ATOM 0 HD22 LEU A3316 -11.045 1.218 5.163 1.00 0.00 H new ATOM 0 HD23 LEU A3316 -10.488 0.193 3.818 1.00 0.00 H new ATOM 1283 N ASN A3317 -12.125 -3.805 6.880 1.00 0.00 N ATOM 1284 CA ASN A3317 -13.125 -4.397 7.761 1.00 0.00 C ATOM 1285 C ASN A3317 -12.744 -5.830 8.098 1.00 0.00 C ATOM 1286 O ASN A3317 -13.117 -6.326 9.160 1.00 0.00 O ATOM 1287 CB ASN A3317 -14.546 -4.316 7.180 1.00 0.00 C ATOM 1288 CG ASN A3317 -15.560 -4.129 8.294 1.00 0.00 C ATOM 1289 OD1 ASN A3317 -16.401 -4.979 8.575 1.00 0.00 O ATOM 1290 ND2 ASN A3317 -15.504 -2.984 8.960 1.00 0.00 N ATOM 0 H ASN A3317 -12.369 -3.818 5.890 1.00 0.00 H new ATOM 0 HA ASN A3317 -13.139 -3.812 8.681 1.00 0.00 H new ATOM 0 HB2 ASN A3317 -14.612 -3.486 6.476 1.00 0.00 H new ATOM 0 HB3 ASN A3317 -14.771 -5.225 6.623 1.00 0.00 H new ATOM 0 HD21 ASN A3317 -16.164 -2.801 9.716 1.00 0.00 H new ATOM 0 HD22 ASN A3317 -14.801 -2.286 8.717 1.00 0.00 H new ATOM 1297 N GLY A3318 -11.902 -6.442 7.267 1.00 0.00 N ATOM 1298 CA GLY A3318 -11.437 -7.812 7.430 1.00 0.00 C ATOM 1299 C GLY A3318 -12.650 -8.731 7.462 1.00 0.00 C ATOM 1300 O GLY A3318 -12.847 -9.487 8.421 1.00 0.00 O ATOM 0 H GLY A3318 -11.516 -5.984 6.441 1.00 0.00 H new ATOM 0 HA2 GLY A3318 -10.774 -8.088 6.610 1.00 0.00 H new ATOM 0 HA3 GLY A3318 -10.862 -7.910 8.351 1.00 0.00 H new