USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 576 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 60 ASN : amide:sc= -0.166 K(o=-0.27,f=-1.4!) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.1 X(o=-0.27,f=-0.16) USER MOD Set 2.1: A 48 LYS NZ :NH3+ 176:sc= 0.777 (180deg=-0.134) USER MOD Set 2.2: A 59 TYR OH : rot 180:sc= 0.74 USER MOD Set 3.1: A 33 LYS NZ :NH3+ 160:sc= -2.35 (180deg=-3.37!) USER MOD Set 3.2: A 41 GLN : amide:sc= -6.29! C(o=-8.6!,f=-11!) USER MOD Set 4.1: A 6 LYS NZ :NH3+ -171:sc= -0.0256 (180deg=-0.356) USER MOD Set 4.2: A 68 HIS :FLIP no HD1:sc= -0.377 F(o=-2.2,f=-0.4) USER MOD Single : A 2 GLN : amide:sc= -0.0213 K(o=-0.021,f=-1.3) USER MOD Single : A 7 THR OG1 : rot 160:sc= -0.73 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.299 USER MOD Single : A 11 LYS NZ :NH3+ -151:sc= -0.58 (180deg=-2.46!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00328 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 24:sc= 0.572 USER MOD Single : A 25 ASN : amide:sc= -0.0123 K(o=-0.012,f=-2.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -116:sc= -1.02 (180deg=-3.82!) USER MOD Single : A 31 GLN : amide:sc= -0.0245 K(o=-0.024,f=-1.4!) USER MOD Single : A 40 GLN : amide:sc= -0.306 K(o=-0.31,f=-2.9!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -88:sc= 1.19 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -15.312 1.554 1.487 1.00 0.00 N ATOM 21 CA GLN A 2 -14.830 2.346 2.614 1.00 0.00 C ATOM 22 C GLN A 2 -13.775 1.577 3.409 1.00 0.00 C ATOM 23 O GLN A 2 -14.033 0.473 3.886 1.00 0.00 O ATOM 24 CB GLN A 2 -15.992 2.736 3.529 1.00 0.00 C ATOM 25 CG GLN A 2 -17.208 3.258 2.780 1.00 0.00 C ATOM 26 CD GLN A 2 -18.074 4.167 3.635 1.00 0.00 C ATOM 27 OE1 GLN A 2 -17.861 4.287 4.840 1.00 0.00 O ATOM 28 NE2 GLN A 2 -19.059 4.814 3.015 1.00 0.00 N ATOM 0 HA GLN A 2 -14.372 3.252 2.217 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -16.285 1.868 4.120 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -15.652 3.499 4.229 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -16.879 3.803 1.895 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -17.805 2.415 2.432 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -19.202 4.686 2.013 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -19.671 5.437 3.542 1.00 0.00 H new ATOM 37 N ILE A 3 -12.589 2.167 3.548 1.00 0.00 N ATOM 38 CA ILE A 3 -11.503 1.531 4.286 1.00 0.00 C ATOM 39 C ILE A 3 -10.750 2.552 5.138 1.00 0.00 C ATOM 40 O ILE A 3 -10.751 3.745 4.833 1.00 0.00 O ATOM 41 CB ILE A 3 -10.512 0.836 3.332 1.00 0.00 C ATOM 42 CG1 ILE A 3 -11.266 -0.035 2.325 1.00 0.00 C ATOM 43 CG2 ILE A 3 -9.512 0.001 4.119 1.00 0.00 C ATOM 44 CD1 ILE A 3 -10.360 -0.782 1.370 1.00 0.00 C ATOM 0 H ILE A 3 -12.358 3.082 3.160 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.952 0.781 4.937 1.00 0.00 H new ATOM 0 HB ILE A 3 -9.963 1.601 2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -11.880 -0.754 2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -11.945 0.594 1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -8.820 -0.483 3.430 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.956 0.646 4.799 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.044 -0.759 4.692 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.964 -1.378 0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.764 -0.069 0.800 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.698 -1.438 1.935 1.00 0.00 H new ATOM 56 N PHE A 4 -10.109 2.083 6.209 1.00 0.00 N ATOM 57 CA PHE A 4 -9.360 2.968 7.095 1.00 0.00 C ATOM 58 C PHE A 4 -7.881 2.587 7.124 1.00 0.00 C ATOM 59 O PHE A 4 -7.470 1.723 7.898 1.00 0.00 O ATOM 60 CB PHE A 4 -9.942 2.919 8.510 1.00 0.00 C ATOM 61 CG PHE A 4 -10.827 4.088 8.836 1.00 0.00 C ATOM 62 CD1 PHE A 4 -10.292 5.358 8.984 1.00 0.00 C ATOM 63 CD2 PHE A 4 -12.193 3.917 8.995 1.00 0.00 C ATOM 64 CE1 PHE A 4 -11.104 6.436 9.283 1.00 0.00 C ATOM 65 CE2 PHE A 4 -13.009 4.991 9.296 1.00 0.00 C ATOM 66 CZ PHE A 4 -12.464 6.252 9.440 1.00 0.00 C ATOM 0 H PHE A 4 -10.094 1.100 6.481 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.446 3.984 6.710 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -10.513 1.998 8.628 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.124 2.881 9.229 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -9.229 5.507 8.864 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -12.625 2.933 8.882 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -10.676 7.421 9.394 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -14.072 4.844 9.419 1.00 0.00 H new ATOM 0 HZ PHE A 4 -13.100 7.093 9.675 1.00 0.00 H new ATOM 76 N VAL A 5 -7.085 3.238 6.276 1.00 0.00 N ATOM 77 CA VAL A 5 -5.655 2.965 6.210 1.00 0.00 C ATOM 78 C VAL A 5 -4.843 4.215 6.540 1.00 0.00 C ATOM 79 O VAL A 5 -5.299 5.336 6.315 1.00 0.00 O ATOM 80 CB VAL A 5 -5.245 2.452 4.817 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.798 1.980 4.825 1.00 0.00 C ATOM 82 CG2 VAL A 5 -6.174 1.337 4.363 1.00 0.00 C ATOM 0 H VAL A 5 -7.408 3.956 5.628 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.445 2.192 6.949 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.330 3.276 4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.527 1.621 3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.146 2.809 5.102 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.683 1.171 5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.868 0.988 3.377 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.124 0.511 5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.196 1.712 4.314 1.00 0.00 H new ATOM 92 N LYS A 6 -3.638 4.018 7.072 1.00 0.00 N ATOM 93 CA LYS A 6 -2.773 5.137 7.428 1.00 0.00 C ATOM 94 C LYS A 6 -1.573 5.217 6.485 1.00 0.00 C ATOM 95 O LYS A 6 -1.002 4.195 6.105 1.00 0.00 O ATOM 96 CB LYS A 6 -2.293 5.000 8.874 1.00 0.00 C ATOM 97 CG LYS A 6 -1.573 3.692 9.157 1.00 0.00 C ATOM 98 CD LYS A 6 -0.927 3.698 10.533 1.00 0.00 C ATOM 99 CE LYS A 6 -1.964 3.847 11.634 1.00 0.00 C ATOM 100 NZ LYS A 6 -3.047 2.831 11.520 1.00 0.00 N ATOM 0 H LYS A 6 -3.242 3.098 7.265 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.351 6.056 7.332 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.625 5.830 9.106 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.150 5.084 9.542 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.279 2.865 9.089 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.810 3.523 8.397 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.370 2.772 10.679 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.208 4.515 10.595 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.478 3.752 12.605 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.398 4.846 11.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.808 3.059 12.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.426 2.835 10.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.664 1.889 11.738 1.00 0.00 H new ATOM 114 N THR A 7 -1.196 6.438 6.109 1.00 0.00 N ATOM 115 CA THR A 7 -0.065 6.642 5.211 1.00 0.00 C ATOM 116 C THR A 7 1.189 7.038 6.007 1.00 0.00 C ATOM 117 O THR A 7 1.359 6.586 7.138 1.00 0.00 O ATOM 118 CB THR A 7 -0.437 7.677 4.144 1.00 0.00 C ATOM 119 OG1 THR A 7 -0.803 8.910 4.738 1.00 0.00 O ATOM 120 CG2 THR A 7 -1.589 7.221 3.271 1.00 0.00 C ATOM 0 H THR A 7 -1.656 7.296 6.412 1.00 0.00 H new ATOM 0 HA THR A 7 0.173 5.710 4.697 1.00 0.00 H new ATOM 0 HB THR A 7 0.452 7.798 3.525 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.724 9.628 4.076 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.812 7.991 2.532 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.316 6.297 2.761 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.469 7.047 3.891 1.00 0.00 H new ATOM 128 N LEU A 8 2.083 7.857 5.434 1.00 0.00 N ATOM 129 CA LEU A 8 3.300 8.240 6.147 1.00 0.00 C ATOM 130 C LEU A 8 2.985 9.079 7.387 1.00 0.00 C ATOM 131 O LEU A 8 3.585 8.881 8.444 1.00 0.00 O ATOM 132 CB LEU A 8 4.279 8.971 5.214 1.00 0.00 C ATOM 133 CG LEU A 8 4.037 10.474 5.028 1.00 0.00 C ATOM 134 CD1 LEU A 8 5.334 11.178 4.656 1.00 0.00 C ATOM 135 CD2 LEU A 8 2.976 10.717 3.965 1.00 0.00 C ATOM 0 H LEU A 8 1.987 8.257 4.501 1.00 0.00 H new ATOM 0 HA LEU A 8 3.783 7.324 6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.289 8.831 5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.242 8.493 4.235 1.00 0.00 H new ATOM 0 HG LEU A 8 3.678 10.885 5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.146 12.244 4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.068 11.032 5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.719 10.763 3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.818 11.789 3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.307 10.293 3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.042 10.244 4.268 1.00 0.00 H new ATOM 147 N THR A 9 2.044 10.013 7.258 1.00 0.00 N ATOM 148 CA THR A 9 1.666 10.870 8.377 1.00 0.00 C ATOM 149 C THR A 9 0.250 10.552 8.859 1.00 0.00 C ATOM 150 O THR A 9 -0.527 11.457 9.168 1.00 0.00 O ATOM 151 CB THR A 9 1.766 12.342 7.976 1.00 0.00 C ATOM 152 OG1 THR A 9 3.057 12.635 7.473 1.00 0.00 O ATOM 153 CG2 THR A 9 1.491 13.295 9.119 1.00 0.00 C ATOM 0 H THR A 9 1.533 10.194 6.394 1.00 0.00 H new ATOM 0 HA THR A 9 2.357 10.677 9.197 1.00 0.00 H new ATOM 0 HB THR A 9 1.001 12.487 7.213 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.103 13.581 7.220 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.579 14.322 8.765 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.483 13.127 9.499 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.213 13.123 9.918 1.00 0.00 H new ATOM 161 N GLY A 10 -0.084 9.263 8.924 1.00 0.00 N ATOM 162 CA GLY A 10 -1.406 8.860 9.372 1.00 0.00 C ATOM 163 C GLY A 10 -2.523 9.591 8.643 1.00 0.00 C ATOM 164 O GLY A 10 -3.530 9.954 9.252 1.00 0.00 O ATOM 0 H GLY A 10 0.537 8.493 8.675 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.523 7.786 9.224 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.494 9.046 10.442 1.00 0.00 H new ATOM 168 N LYS A 11 -2.350 9.806 7.340 1.00 0.00 N ATOM 169 CA LYS A 11 -3.360 10.498 6.544 1.00 0.00 C ATOM 170 C LYS A 11 -4.559 9.590 6.283 1.00 0.00 C ATOM 171 O LYS A 11 -4.408 8.378 6.128 1.00 0.00 O ATOM 172 CB LYS A 11 -2.767 10.972 5.213 1.00 0.00 C ATOM 173 CG LYS A 11 -3.489 12.170 4.618 1.00 0.00 C ATOM 174 CD LYS A 11 -3.438 12.154 3.099 1.00 0.00 C ATOM 175 CE LYS A 11 -4.646 12.847 2.493 1.00 0.00 C ATOM 176 NZ LYS A 11 -5.925 12.325 3.052 1.00 0.00 N ATOM 0 H LYS A 11 -1.525 9.513 6.816 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.696 11.367 7.110 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.718 11.228 5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.796 10.149 4.498 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.528 12.171 4.948 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.036 13.090 4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.527 12.646 2.760 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.394 11.124 2.746 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.580 13.919 2.678 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.639 12.709 1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.678 12.418 2.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.810 11.323 3.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.181 12.870 3.900 1.00 0.00 H new ATOM 190 N THR A 12 -5.753 10.180 6.235 1.00 0.00 N ATOM 191 CA THR A 12 -6.972 9.414 5.993 1.00 0.00 C ATOM 192 C THR A 12 -7.323 9.404 4.507 1.00 0.00 C ATOM 193 O THR A 12 -7.787 10.405 3.963 1.00 0.00 O ATOM 194 CB THR A 12 -8.137 9.992 6.801 1.00 0.00 C ATOM 195 OG1 THR A 12 -9.300 9.200 6.638 1.00 0.00 O ATOM 196 CG2 THR A 12 -8.491 11.412 6.415 1.00 0.00 C ATOM 0 H THR A 12 -5.901 11.181 6.360 1.00 0.00 H new ATOM 0 HA THR A 12 -6.793 8.388 6.314 1.00 0.00 H new ATOM 0 HB THR A 12 -7.798 9.990 7.837 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.033 9.584 7.163 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.324 11.758 7.027 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.629 12.059 6.577 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.776 11.443 5.363 1.00 0.00 H new ATOM 204 N ILE A 13 -7.102 8.263 3.853 1.00 0.00 N ATOM 205 CA ILE A 13 -7.399 8.131 2.430 1.00 0.00 C ATOM 206 C ILE A 13 -8.327 6.946 2.169 1.00 0.00 C ATOM 207 O ILE A 13 -8.484 6.072 3.021 1.00 0.00 O ATOM 208 CB ILE A 13 -6.113 7.964 1.594 1.00 0.00 C ATOM 209 CG1 ILE A 13 -5.415 6.643 1.927 1.00 0.00 C ATOM 210 CG2 ILE A 13 -5.173 9.137 1.831 1.00 0.00 C ATOM 211 CD1 ILE A 13 -5.939 5.465 1.133 1.00 0.00 C ATOM 0 H ILE A 13 -6.720 7.422 4.285 1.00 0.00 H new ATOM 0 HA ILE A 13 -7.897 9.052 2.126 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.390 7.945 0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.346 6.749 1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.535 6.436 2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.270 9.006 1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.668 10.064 1.541 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.907 9.183 2.887 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.399 4.563 1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.001 5.332 1.337 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.794 5.650 0.069 1.00 0.00 H new ATOM 223 N THR A 14 -8.941 6.922 0.987 1.00 0.00 N ATOM 224 CA THR A 14 -9.850 5.841 0.624 1.00 0.00 C ATOM 225 C THR A 14 -9.166 4.848 -0.313 1.00 0.00 C ATOM 226 O THR A 14 -8.253 5.211 -1.055 1.00 0.00 O ATOM 227 CB THR A 14 -11.109 6.404 -0.040 1.00 0.00 C ATOM 228 OG1 THR A 14 -10.768 7.365 -1.024 1.00 0.00 O ATOM 229 CG2 THR A 14 -12.056 7.066 0.938 1.00 0.00 C ATOM 0 H THR A 14 -8.825 7.637 0.268 1.00 0.00 H new ATOM 0 HA THR A 14 -10.134 5.317 1.536 1.00 0.00 H new ATOM 0 HB THR A 14 -11.612 5.545 -0.483 1.00 0.00 H new ATOM 0 HG1 THR A 14 -11.585 7.713 -1.439 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.927 7.443 0.402 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.376 6.338 1.684 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.548 7.894 1.433 1.00 0.00 H new ATOM 237 N LEU A 15 -9.613 3.593 -0.278 1.00 0.00 N ATOM 238 CA LEU A 15 -9.038 2.557 -1.127 1.00 0.00 C ATOM 239 C LEU A 15 -10.126 1.825 -1.909 1.00 0.00 C ATOM 240 O LEU A 15 -10.706 0.855 -1.419 1.00 0.00 O ATOM 241 CB LEU A 15 -8.242 1.560 -0.283 1.00 0.00 C ATOM 242 CG LEU A 15 -7.185 0.760 -1.047 1.00 0.00 C ATOM 243 CD1 LEU A 15 -5.844 1.476 -1.009 1.00 0.00 C ATOM 244 CD2 LEU A 15 -7.059 -0.642 -0.471 1.00 0.00 C ATOM 0 H LEU A 15 -10.369 3.273 0.328 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.367 3.038 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.751 2.103 0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.939 0.862 0.180 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.500 0.677 -2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.104 0.893 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.944 2.459 -1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.522 1.590 0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.303 -1.197 -1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.767 -0.580 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.017 -1.155 -0.550 1.00 0.00 H new ATOM 256 N GLU A 16 -10.402 2.292 -3.125 1.00 0.00 N ATOM 257 CA GLU A 16 -11.422 1.675 -3.966 1.00 0.00 C ATOM 258 C GLU A 16 -10.784 0.774 -5.022 1.00 0.00 C ATOM 259 O GLU A 16 -9.973 1.229 -5.828 1.00 0.00 O ATOM 260 CB GLU A 16 -12.274 2.751 -4.643 1.00 0.00 C ATOM 261 CG GLU A 16 -13.644 2.257 -5.075 1.00 0.00 C ATOM 262 CD GLU A 16 -14.101 2.874 -6.384 1.00 0.00 C ATOM 263 OE1 GLU A 16 -13.880 4.088 -6.576 1.00 0.00 O ATOM 264 OE2 GLU A 16 -14.679 2.143 -7.215 1.00 0.00 O ATOM 0 H GLU A 16 -9.934 3.094 -3.548 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.061 1.063 -3.330 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.398 3.589 -3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.741 3.129 -5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.619 1.172 -5.178 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.371 2.486 -4.296 1.00 0.00 H new ATOM 271 N VAL A 17 -11.154 -0.506 -5.013 1.00 0.00 N ATOM 272 CA VAL A 17 -10.612 -1.460 -5.972 1.00 0.00 C ATOM 273 C VAL A 17 -11.693 -2.421 -6.465 1.00 0.00 C ATOM 274 O VAL A 17 -12.820 -2.402 -5.974 1.00 0.00 O ATOM 275 CB VAL A 17 -9.455 -2.275 -5.362 1.00 0.00 C ATOM 276 CG1 VAL A 17 -8.281 -1.368 -5.027 1.00 0.00 C ATOM 277 CG2 VAL A 17 -9.925 -3.029 -4.127 1.00 0.00 C ATOM 0 H VAL A 17 -11.824 -0.902 -4.354 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.234 -0.881 -6.814 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.121 -3.005 -6.100 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.474 -1.961 -4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.928 -0.879 -5.935 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.598 -0.613 -4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.094 -3.599 -3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.287 -2.319 -3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.731 -3.710 -4.401 1.00 0.00 H new ATOM 287 N GLU A 18 -11.343 -3.260 -7.440 1.00 0.00 N ATOM 288 CA GLU A 18 -12.290 -4.224 -7.992 1.00 0.00 C ATOM 289 C GLU A 18 -12.117 -5.593 -7.340 1.00 0.00 C ATOM 290 O GLU A 18 -11.129 -5.841 -6.648 1.00 0.00 O ATOM 291 CB GLU A 18 -12.110 -4.341 -9.507 1.00 0.00 C ATOM 292 CG GLU A 18 -12.904 -3.312 -10.295 1.00 0.00 C ATOM 293 CD GLU A 18 -12.153 -2.799 -11.508 1.00 0.00 C ATOM 294 OE1 GLU A 18 -11.399 -3.588 -12.116 1.00 0.00 O ATOM 295 OE2 GLU A 18 -12.318 -1.609 -11.851 1.00 0.00 O ATOM 0 H GLU A 18 -10.415 -3.290 -7.861 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.297 -3.865 -7.780 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.052 -4.234 -9.748 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.410 -5.340 -9.824 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.847 -3.755 -10.617 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.151 -2.473 -9.644 1.00 0.00 H new ATOM 302 N PRO A 19 -13.082 -6.505 -7.552 1.00 0.00 N ATOM 303 CA PRO A 19 -13.035 -7.856 -6.979 1.00 0.00 C ATOM 304 C PRO A 19 -11.797 -8.635 -7.420 1.00 0.00 C ATOM 305 O PRO A 19 -11.157 -9.305 -6.611 1.00 0.00 O ATOM 306 CB PRO A 19 -14.304 -8.525 -7.521 1.00 0.00 C ATOM 307 CG PRO A 19 -15.201 -7.401 -7.911 1.00 0.00 C ATOM 308 CD PRO A 19 -14.294 -6.290 -8.359 1.00 0.00 C ATOM 0 HA PRO A 19 -12.983 -7.829 -5.891 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.079 -9.164 -8.375 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.770 -9.157 -6.765 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.878 -7.700 -8.712 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.820 -7.086 -7.071 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.083 -6.347 -9.427 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.734 -5.310 -8.173 1.00 0.00 H new ATOM 316 N SER A 20 -11.464 -8.546 -8.708 1.00 0.00 N ATOM 317 CA SER A 20 -10.301 -9.250 -9.245 1.00 0.00 C ATOM 318 C SER A 20 -9.024 -8.406 -9.151 1.00 0.00 C ATOM 319 O SER A 20 -7.966 -8.832 -9.614 1.00 0.00 O ATOM 320 CB SER A 20 -10.549 -9.650 -10.702 1.00 0.00 C ATOM 321 OG SER A 20 -11.719 -10.439 -10.823 1.00 0.00 O ATOM 0 H SER A 20 -11.980 -7.996 -9.395 1.00 0.00 H new ATOM 0 HA SER A 20 -10.156 -10.144 -8.638 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.645 -8.755 -11.317 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.691 -10.206 -11.081 1.00 0.00 H new ATOM 0 HG SER A 20 -11.856 -10.680 -11.763 1.00 0.00 H new ATOM 327 N ASP A 21 -9.116 -7.213 -8.557 1.00 0.00 N ATOM 328 CA ASP A 21 -7.949 -6.344 -8.425 1.00 0.00 C ATOM 329 C ASP A 21 -7.009 -6.851 -7.333 1.00 0.00 C ATOM 330 O ASP A 21 -7.398 -6.958 -6.169 1.00 0.00 O ATOM 331 CB ASP A 21 -8.380 -4.907 -8.115 1.00 0.00 C ATOM 332 CG ASP A 21 -7.216 -3.936 -8.147 1.00 0.00 C ATOM 333 OD1 ASP A 21 -6.936 -3.382 -9.231 1.00 0.00 O ATOM 334 OD2 ASP A 21 -6.586 -3.730 -7.089 1.00 0.00 O ATOM 0 H ASP A 21 -9.977 -6.832 -8.165 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.415 -6.357 -9.375 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.133 -4.592 -8.838 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.849 -4.875 -7.132 1.00 0.00 H new ATOM 339 N THR A 22 -5.769 -7.158 -7.712 1.00 0.00 N ATOM 340 CA THR A 22 -4.778 -7.649 -6.759 1.00 0.00 C ATOM 341 C THR A 22 -4.083 -6.480 -6.059 1.00 0.00 C ATOM 342 O THR A 22 -4.191 -5.335 -6.499 1.00 0.00 O ATOM 343 CB THR A 22 -3.751 -8.536 -7.476 1.00 0.00 C ATOM 344 OG1 THR A 22 -2.951 -9.249 -6.539 1.00 0.00 O ATOM 345 CG2 THR A 22 -2.828 -7.764 -8.401 1.00 0.00 C ATOM 0 H THR A 22 -5.429 -7.075 -8.670 1.00 0.00 H new ATOM 0 HA THR A 22 -5.286 -8.246 -6.002 1.00 0.00 H new ATOM 0 HB THR A 22 -4.340 -9.224 -8.082 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.436 -9.333 -5.692 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.128 -8.453 -8.874 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.418 -7.262 -9.168 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.274 -7.022 -7.826 1.00 0.00 H new ATOM 353 N ILE A 23 -3.374 -6.768 -4.967 1.00 0.00 N ATOM 354 CA ILE A 23 -2.675 -5.723 -4.220 1.00 0.00 C ATOM 355 C ILE A 23 -1.690 -4.970 -5.119 1.00 0.00 C ATOM 356 O ILE A 23 -1.531 -3.757 -4.993 1.00 0.00 O ATOM 357 CB ILE A 23 -1.915 -6.298 -3.002 1.00 0.00 C ATOM 358 CG1 ILE A 23 -2.889 -6.982 -2.041 1.00 0.00 C ATOM 359 CG2 ILE A 23 -1.144 -5.200 -2.283 1.00 0.00 C ATOM 360 CD1 ILE A 23 -4.013 -6.082 -1.576 1.00 0.00 C ATOM 0 H ILE A 23 -3.269 -7.707 -4.583 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.437 -5.032 -3.860 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.201 -7.040 -3.361 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.315 -7.858 -2.531 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.338 -7.340 -1.171 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.616 -5.625 -1.429 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.424 -4.752 -2.968 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.839 -4.435 -1.936 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.664 -6.634 -0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.597 -5.218 -1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.589 -5.745 -2.438 1.00 0.00 H new ATOM 372 N GLU A 24 -1.033 -5.688 -6.028 1.00 0.00 N ATOM 373 CA GLU A 24 -0.075 -5.064 -6.940 1.00 0.00 C ATOM 374 C GLU A 24 -0.705 -3.876 -7.676 1.00 0.00 C ATOM 375 O GLU A 24 -0.016 -2.913 -8.012 1.00 0.00 O ATOM 376 CB GLU A 24 0.447 -6.084 -7.956 1.00 0.00 C ATOM 377 CG GLU A 24 1.683 -6.833 -7.484 1.00 0.00 C ATOM 378 CD GLU A 24 1.744 -8.252 -8.017 1.00 0.00 C ATOM 379 OE1 GLU A 24 0.744 -8.985 -7.868 1.00 0.00 O ATOM 380 OE2 GLU A 24 2.791 -8.629 -8.583 1.00 0.00 O ATOM 0 H GLU A 24 -1.145 -6.694 -6.153 1.00 0.00 H new ATOM 0 HA GLU A 24 0.759 -4.698 -6.342 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.342 -6.803 -8.175 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.678 -5.570 -8.889 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.574 -6.291 -7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.695 -6.857 -6.394 1.00 0.00 H new ATOM 387 N ASN A 25 -2.013 -3.951 -7.929 1.00 0.00 N ATOM 388 CA ASN A 25 -2.717 -2.877 -8.630 1.00 0.00 C ATOM 389 C ASN A 25 -2.849 -1.633 -7.752 1.00 0.00 C ATOM 390 O ASN A 25 -2.653 -0.513 -8.223 1.00 0.00 O ATOM 391 CB ASN A 25 -4.104 -3.345 -9.078 1.00 0.00 C ATOM 392 CG ASN A 25 -4.080 -3.998 -10.449 1.00 0.00 C ATOM 393 OD1 ASN A 25 -3.838 -5.199 -10.570 1.00 0.00 O ATOM 394 ND2 ASN A 25 -4.333 -3.211 -11.493 1.00 0.00 N ATOM 0 H ASN A 25 -2.603 -4.739 -7.661 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.127 -2.616 -9.509 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.499 -4.052 -8.349 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.784 -2.493 -9.096 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.331 -3.599 -12.436 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.529 -2.220 -11.349 1.00 0.00 H new ATOM 401 N VAL A 26 -3.184 -1.829 -6.476 1.00 0.00 N ATOM 402 CA VAL A 26 -3.340 -0.704 -5.553 1.00 0.00 C ATOM 403 C VAL A 26 -2.019 0.044 -5.344 1.00 0.00 C ATOM 404 O VAL A 26 -2.022 1.209 -4.948 1.00 0.00 O ATOM 405 CB VAL A 26 -3.894 -1.152 -4.182 1.00 0.00 C ATOM 406 CG1 VAL A 26 -2.901 -2.046 -3.453 1.00 0.00 C ATOM 407 CG2 VAL A 26 -4.255 0.058 -3.334 1.00 0.00 C ATOM 0 H VAL A 26 -3.351 -2.746 -6.061 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.060 -0.030 -6.017 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.799 -1.734 -4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.319 -2.345 -2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.701 -2.933 -4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.971 -1.501 -3.291 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.644 -0.275 -2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.366 0.669 -3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.014 0.649 -3.847 1.00 0.00 H new ATOM 417 N LYS A 27 -0.892 -0.620 -5.612 1.00 0.00 N ATOM 418 CA LYS A 27 0.418 0.009 -5.447 1.00 0.00 C ATOM 419 C LYS A 27 0.506 1.305 -6.254 1.00 0.00 C ATOM 420 O LYS A 27 1.139 2.268 -5.824 1.00 0.00 O ATOM 421 CB LYS A 27 1.535 -0.947 -5.876 1.00 0.00 C ATOM 422 CG LYS A 27 2.920 -0.498 -5.441 1.00 0.00 C ATOM 423 CD LYS A 27 3.191 -0.856 -3.989 1.00 0.00 C ATOM 424 CE LYS A 27 4.676 -1.057 -3.732 1.00 0.00 C ATOM 425 NZ LYS A 27 5.317 0.172 -3.189 1.00 0.00 N ATOM 0 H LYS A 27 -0.861 -1.585 -5.941 1.00 0.00 H new ATOM 0 HA LYS A 27 0.543 0.246 -4.391 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.335 -1.935 -5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.519 -1.048 -6.961 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.672 -0.964 -6.078 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.013 0.580 -5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.813 -0.065 -3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.650 -1.766 -3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.815 -1.879 -3.030 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.170 -1.344 -4.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.329 -0.007 -3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.207 0.951 -3.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.864 0.432 -2.290 1.00 0.00 H new ATOM 439 N ALA A 28 -0.137 1.329 -7.422 1.00 0.00 N ATOM 440 CA ALA A 28 -0.125 2.520 -8.267 1.00 0.00 C ATOM 441 C ALA A 28 -0.844 3.681 -7.582 1.00 0.00 C ATOM 442 O ALA A 28 -0.423 4.833 -7.695 1.00 0.00 O ATOM 443 CB ALA A 28 -0.765 2.226 -9.619 1.00 0.00 C ATOM 0 H ALA A 28 -0.668 0.544 -7.801 1.00 0.00 H new ATOM 0 HA ALA A 28 0.914 2.807 -8.429 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.746 3.126 -10.234 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.210 1.433 -10.120 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.797 1.909 -9.472 1.00 0.00 H new ATOM 449 N LYS A 29 -1.930 3.376 -6.868 1.00 0.00 N ATOM 450 CA LYS A 29 -2.696 4.404 -6.168 1.00 0.00 C ATOM 451 C LYS A 29 -1.853 5.060 -5.076 1.00 0.00 C ATOM 452 O LYS A 29 -1.792 6.286 -4.982 1.00 0.00 O ATOM 453 CB LYS A 29 -3.968 3.810 -5.558 1.00 0.00 C ATOM 454 CG LYS A 29 -5.087 3.604 -6.565 1.00 0.00 C ATOM 455 CD LYS A 29 -5.831 2.302 -6.316 1.00 0.00 C ATOM 456 CE LYS A 29 -6.182 1.602 -7.619 1.00 0.00 C ATOM 457 NZ LYS A 29 -7.459 0.845 -7.517 1.00 0.00 N ATOM 0 H LYS A 29 -2.296 2.430 -6.761 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.978 5.165 -6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.726 2.853 -5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.322 4.468 -4.764 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.785 4.439 -6.510 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.674 3.600 -7.574 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.217 1.643 -5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.743 2.505 -5.754 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.260 2.340 -8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.377 0.920 -7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.271 -0.171 -7.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.886 1.009 -6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.114 1.167 -8.258 1.00 0.00 H new ATOM 471 N ILE A 30 -1.200 4.240 -4.251 1.00 0.00 N ATOM 472 CA ILE A 30 -0.362 4.761 -3.173 1.00 0.00 C ATOM 473 C ILE A 30 0.832 5.533 -3.734 1.00 0.00 C ATOM 474 O ILE A 30 1.212 6.573 -3.197 1.00 0.00 O ATOM 475 CB ILE A 30 0.141 3.638 -2.239 1.00 0.00 C ATOM 476 CG1 ILE A 30 0.905 4.234 -1.054 1.00 0.00 C ATOM 477 CG2 ILE A 30 1.018 2.654 -2.999 1.00 0.00 C ATOM 478 CD1 ILE A 30 0.643 3.519 0.253 1.00 0.00 C ATOM 0 H ILE A 30 -1.235 3.222 -4.308 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.986 5.437 -2.588 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.725 3.096 -1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.973 4.203 -1.268 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.631 5.284 -0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.360 1.872 -2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.443 2.205 -3.809 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.880 3.178 -3.412 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.216 3.994 1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.420 3.572 0.490 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.943 2.475 0.163 1.00 0.00 H new ATOM 490 N GLN A 31 1.415 5.028 -4.823 1.00 0.00 N ATOM 491 CA GLN A 31 2.557 5.690 -5.453 1.00 0.00 C ATOM 492 C GLN A 31 2.156 7.054 -6.026 1.00 0.00 C ATOM 493 O GLN A 31 3.007 7.918 -6.238 1.00 0.00 O ATOM 494 CB GLN A 31 3.144 4.814 -6.563 1.00 0.00 C ATOM 495 CG GLN A 31 4.591 5.137 -6.892 1.00 0.00 C ATOM 496 CD GLN A 31 5.046 4.519 -8.201 1.00 0.00 C ATOM 497 OE1 GLN A 31 4.233 4.255 -9.089 1.00 0.00 O ATOM 498 NE2 GLN A 31 6.350 4.281 -8.334 1.00 0.00 N ATOM 0 H GLN A 31 1.117 4.168 -5.284 1.00 0.00 H new ATOM 0 HA GLN A 31 3.315 5.845 -4.685 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.073 3.768 -6.265 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.541 4.930 -7.463 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.715 6.219 -6.943 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.231 4.781 -6.085 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.991 4.514 -7.575 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.707 3.866 -9.194 1.00 0.00 H new ATOM 507 N ASP A 32 0.856 7.243 -6.279 1.00 0.00 N ATOM 508 CA ASP A 32 0.351 8.502 -6.829 1.00 0.00 C ATOM 509 C ASP A 32 0.619 9.699 -5.906 1.00 0.00 C ATOM 510 O ASP A 32 0.456 10.846 -6.324 1.00 0.00 O ATOM 511 CB ASP A 32 -1.151 8.399 -7.107 1.00 0.00 C ATOM 512 CG ASP A 32 -1.549 9.087 -8.400 1.00 0.00 C ATOM 513 OD1 ASP A 32 -1.406 10.325 -8.481 1.00 0.00 O ATOM 514 OD2 ASP A 32 -2.003 8.387 -9.330 1.00 0.00 O ATOM 0 H ASP A 32 0.137 6.540 -6.111 1.00 0.00 H new ATOM 0 HA ASP A 32 0.891 8.675 -7.760 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.438 7.348 -7.155 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.702 8.843 -6.278 1.00 0.00 H new ATOM 519 N LYS A 33 1.022 9.451 -4.656 1.00 0.00 N ATOM 520 CA LYS A 33 1.288 10.544 -3.724 1.00 0.00 C ATOM 521 C LYS A 33 2.602 11.242 -4.067 1.00 0.00 C ATOM 522 O LYS A 33 2.715 12.460 -3.936 1.00 0.00 O ATOM 523 CB LYS A 33 1.326 10.029 -2.280 1.00 0.00 C ATOM 524 CG LYS A 33 2.551 9.186 -1.957 1.00 0.00 C ATOM 525 CD LYS A 33 2.680 8.940 -0.462 1.00 0.00 C ATOM 526 CE LYS A 33 1.792 7.793 -0.009 1.00 0.00 C ATOM 527 NZ LYS A 33 2.506 6.487 -0.053 1.00 0.00 N ATOM 0 H LYS A 33 1.169 8.517 -4.273 1.00 0.00 H new ATOM 0 HA LYS A 33 0.477 11.267 -3.815 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.294 10.880 -1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.430 9.437 -2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.485 8.232 -2.479 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.446 9.689 -2.323 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.718 8.717 -0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.412 9.846 0.082 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.444 7.982 1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.908 7.745 -0.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.017 5.803 0.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.517 6.130 -1.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.483 6.614 0.280 1.00 0.00 H new ATOM 541 N GLU A 34 3.594 10.470 -4.507 1.00 0.00 N ATOM 542 CA GLU A 34 4.891 11.038 -4.865 1.00 0.00 C ATOM 543 C GLU A 34 5.835 9.974 -5.424 1.00 0.00 C ATOM 544 O GLU A 34 6.547 10.216 -6.398 1.00 0.00 O ATOM 545 CB GLU A 34 5.530 11.707 -3.646 1.00 0.00 C ATOM 546 CG GLU A 34 6.293 12.980 -3.980 1.00 0.00 C ATOM 547 CD GLU A 34 6.766 13.716 -2.742 1.00 0.00 C ATOM 548 OE1 GLU A 34 6.192 13.485 -1.658 1.00 0.00 O ATOM 549 OE2 GLU A 34 7.712 14.524 -2.858 1.00 0.00 O ATOM 0 H GLU A 34 3.526 9.459 -4.623 1.00 0.00 H new ATOM 0 HA GLU A 34 4.722 11.783 -5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.751 11.940 -2.920 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.209 11.001 -3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.153 12.731 -4.602 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.654 13.639 -4.568 1.00 0.00 H new ATOM 556 N GLY A 35 5.842 8.798 -4.799 1.00 0.00 N ATOM 557 CA GLY A 35 6.708 7.728 -5.249 1.00 0.00 C ATOM 558 C GLY A 35 7.616 7.242 -4.139 1.00 0.00 C ATOM 559 O GLY A 35 8.802 7.561 -4.120 1.00 0.00 O ATOM 0 H GLY A 35 5.263 8.571 -3.991 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.103 6.898 -5.614 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.311 8.076 -6.088 1.00 0.00 H new ATOM 563 N ILE A 36 7.051 6.486 -3.201 1.00 0.00 N ATOM 564 CA ILE A 36 7.820 5.972 -2.066 1.00 0.00 C ATOM 565 C ILE A 36 8.672 4.759 -2.454 1.00 0.00 C ATOM 566 O ILE A 36 8.160 3.647 -2.579 1.00 0.00 O ATOM 567 CB ILE A 36 6.898 5.573 -0.894 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.912 4.485 -1.328 1.00 0.00 C ATOM 569 CG2 ILE A 36 6.156 6.792 -0.368 1.00 0.00 C ATOM 570 CD1 ILE A 36 6.139 3.155 -0.644 1.00 0.00 C ATOM 0 H ILE A 36 6.068 6.215 -3.202 1.00 0.00 H new ATOM 0 HA ILE A 36 8.477 6.783 -1.754 1.00 0.00 H new ATOM 0 HB ILE A 36 7.514 5.170 -0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.897 4.823 -1.120 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.987 4.347 -2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.510 6.496 0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.875 7.533 -0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.551 7.222 -1.166 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.404 2.433 -1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.142 2.795 -0.872 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.034 3.278 0.434 1.00 0.00 H new ATOM 582 N PRO A 37 9.993 4.957 -2.651 1.00 0.00 N ATOM 583 CA PRO A 37 10.907 3.872 -3.023 1.00 0.00 C ATOM 584 C PRO A 37 10.880 2.676 -2.060 1.00 0.00 C ATOM 585 O PRO A 37 10.904 1.530 -2.508 1.00 0.00 O ATOM 586 CB PRO A 37 12.297 4.528 -3.017 1.00 0.00 C ATOM 587 CG PRO A 37 12.127 5.837 -2.321 1.00 0.00 C ATOM 588 CD PRO A 37 10.699 6.246 -2.535 1.00 0.00 C ATOM 0 HA PRO A 37 10.620 3.450 -3.986 1.00 0.00 H new ATOM 0 HB2 PRO A 37 13.023 3.901 -2.499 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.666 4.670 -4.033 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.350 5.744 -1.258 1.00 0.00 H new ATOM 0 HG3 PRO A 37 12.810 6.584 -2.725 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.321 6.839 -1.702 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.584 6.851 -3.435 1.00 0.00 H new ATOM 596 N PRO A 38 10.848 2.906 -0.725 1.00 0.00 N ATOM 597 CA PRO A 38 10.840 1.826 0.266 1.00 0.00 C ATOM 598 C PRO A 38 9.972 0.637 -0.149 1.00 0.00 C ATOM 599 O PRO A 38 8.744 0.709 -0.112 1.00 0.00 O ATOM 600 CB PRO A 38 10.276 2.488 1.534 1.00 0.00 C ATOM 601 CG PRO A 38 10.063 3.932 1.200 1.00 0.00 C ATOM 602 CD PRO A 38 10.839 4.211 -0.058 1.00 0.00 C ATOM 0 HA PRO A 38 11.838 1.407 0.398 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.340 2.017 1.834 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.969 2.381 2.369 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.003 4.142 1.054 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.405 4.571 2.014 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.359 4.975 -0.669 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.848 4.563 0.158 1.00 0.00 H new ATOM 610 N ASP A 39 10.626 -0.459 -0.533 1.00 0.00 N ATOM 611 CA ASP A 39 9.922 -1.671 -0.944 1.00 0.00 C ATOM 612 C ASP A 39 9.207 -2.336 0.236 1.00 0.00 C ATOM 613 O ASP A 39 8.334 -3.180 0.037 1.00 0.00 O ATOM 614 CB ASP A 39 10.894 -2.665 -1.588 1.00 0.00 C ATOM 615 CG ASP A 39 10.961 -2.516 -3.095 1.00 0.00 C ATOM 616 OD1 ASP A 39 9.907 -2.652 -3.752 1.00 0.00 O ATOM 617 OD2 ASP A 39 12.066 -2.262 -3.618 1.00 0.00 O ATOM 0 H ASP A 39 11.643 -0.531 -0.568 1.00 0.00 H new ATOM 0 HA ASP A 39 9.169 -1.378 -1.676 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.889 -2.520 -1.167 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.588 -3.681 -1.340 1.00 0.00 H new ATOM 622 N GLN A 40 9.579 -1.964 1.467 1.00 0.00 N ATOM 623 CA GLN A 40 8.959 -2.546 2.655 1.00 0.00 C ATOM 624 C GLN A 40 7.787 -1.698 3.163 1.00 0.00 C ATOM 625 O GLN A 40 7.484 -1.710 4.356 1.00 0.00 O ATOM 626 CB GLN A 40 10.002 -2.713 3.766 1.00 0.00 C ATOM 627 CG GLN A 40 10.405 -4.158 4.008 1.00 0.00 C ATOM 628 CD GLN A 40 11.877 -4.304 4.351 1.00 0.00 C ATOM 629 OE1 GLN A 40 12.642 -3.343 4.258 1.00 0.00 O ATOM 630 NE2 GLN A 40 12.285 -5.507 4.751 1.00 0.00 N ATOM 0 H GLN A 40 10.300 -1.269 1.662 1.00 0.00 H new ATOM 0 HA GLN A 40 8.565 -3.522 2.374 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.890 -2.135 3.510 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.605 -2.295 4.691 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.804 -4.568 4.820 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.183 -4.747 3.118 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.619 -6.277 4.814 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.264 -5.659 4.994 1.00 0.00 H new ATOM 639 N GLN A 41 7.119 -0.973 2.263 1.00 0.00 N ATOM 640 CA GLN A 41 5.981 -0.146 2.651 1.00 0.00 C ATOM 641 C GLN A 41 4.683 -0.938 2.511 1.00 0.00 C ATOM 642 O GLN A 41 4.046 -0.920 1.458 1.00 0.00 O ATOM 643 CB GLN A 41 5.917 1.122 1.796 1.00 0.00 C ATOM 644 CG GLN A 41 4.720 2.008 2.105 1.00 0.00 C ATOM 645 CD GLN A 41 5.074 3.483 2.134 1.00 0.00 C ATOM 646 OE1 GLN A 41 6.204 3.853 2.454 1.00 0.00 O ATOM 647 NE2 GLN A 41 4.110 4.339 1.801 1.00 0.00 N ATOM 0 H GLN A 41 7.346 -0.943 1.269 1.00 0.00 H new ATOM 0 HA GLN A 41 6.108 0.146 3.693 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.831 1.697 1.945 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.886 0.839 0.744 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.946 1.839 1.357 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.300 1.721 3.069 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.187 3.992 1.542 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.295 5.342 1.805 1.00 0.00 H new ATOM 656 N ARG A 42 4.297 -1.639 3.575 1.00 0.00 N ATOM 657 CA ARG A 42 3.080 -2.443 3.558 1.00 0.00 C ATOM 658 C ARG A 42 2.384 -2.410 4.918 1.00 0.00 C ATOM 659 O ARG A 42 2.850 -1.748 5.845 1.00 0.00 O ATOM 660 CB ARG A 42 3.412 -3.888 3.167 1.00 0.00 C ATOM 661 CG ARG A 42 4.621 -4.457 3.891 1.00 0.00 C ATOM 662 CD ARG A 42 4.237 -5.042 5.243 1.00 0.00 C ATOM 663 NE ARG A 42 4.526 -4.126 6.348 1.00 0.00 N ATOM 664 CZ ARG A 42 4.645 -4.512 7.617 1.00 0.00 C ATOM 665 NH1 ARG A 42 4.500 -5.790 7.946 1.00 0.00 N ATOM 666 NH2 ARG A 42 4.909 -3.618 8.561 1.00 0.00 N ATOM 0 H ARG A 42 4.809 -1.666 4.457 1.00 0.00 H new ATOM 0 HA ARG A 42 2.399 -2.020 2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.547 -4.518 3.373 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.590 -3.932 2.092 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.084 -5.230 3.277 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.365 -3.673 4.031 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.174 -5.284 5.243 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.776 -5.976 5.398 1.00 0.00 H new ATOM 0 HE ARG A 42 4.643 -3.136 6.134 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.296 -6.482 7.225 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.592 -6.080 8.920 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.021 -2.634 8.315 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.000 -3.914 9.533 1.00 0.00 H new ATOM 680 N LEU A 43 1.265 -3.126 5.035 1.00 0.00 N ATOM 681 CA LEU A 43 0.516 -3.166 6.286 1.00 0.00 C ATOM 682 C LEU A 43 0.869 -4.414 7.092 1.00 0.00 C ATOM 683 O LEU A 43 1.387 -5.389 6.547 1.00 0.00 O ATOM 684 CB LEU A 43 -0.989 -3.136 6.008 1.00 0.00 C ATOM 685 CG LEU A 43 -1.504 -4.266 5.111 1.00 0.00 C ATOM 686 CD1 LEU A 43 -2.668 -4.989 5.772 1.00 0.00 C ATOM 687 CD2 LEU A 43 -1.915 -3.723 3.750 1.00 0.00 C ATOM 0 H LEU A 43 0.861 -3.682 4.282 1.00 0.00 H new ATOM 0 HA LEU A 43 0.788 -2.287 6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.520 -3.177 6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.239 -2.182 5.544 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.695 -4.982 4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.019 -5.788 5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.341 -5.414 6.721 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.480 -4.284 5.951 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.278 -4.540 3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.706 -2.984 3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.055 -3.255 3.270 1.00 0.00 H new ATOM 699 N ILE A 44 0.588 -4.380 8.394 1.00 0.00 N ATOM 700 CA ILE A 44 0.883 -5.511 9.266 1.00 0.00 C ATOM 701 C ILE A 44 -0.375 -6.334 9.546 1.00 0.00 C ATOM 702 O ILE A 44 -0.994 -6.199 10.602 1.00 0.00 O ATOM 703 CB ILE A 44 1.501 -5.045 10.602 1.00 0.00 C ATOM 704 CG1 ILE A 44 1.861 -6.250 11.474 1.00 0.00 C ATOM 705 CG2 ILE A 44 0.549 -4.112 11.340 1.00 0.00 C ATOM 706 CD1 ILE A 44 2.786 -5.910 12.623 1.00 0.00 C ATOM 0 H ILE A 44 0.158 -3.584 8.865 1.00 0.00 H new ATOM 0 HA ILE A 44 1.607 -6.136 8.744 1.00 0.00 H new ATOM 0 HB ILE A 44 2.415 -4.493 10.383 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.945 -6.686 11.872 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.332 -7.011 10.852 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.004 -3.796 12.279 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.345 -3.237 10.722 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.385 -4.635 11.548 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.998 -6.811 13.198 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.718 -5.501 12.231 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.309 -5.172 13.268 1.00 0.00 H new ATOM 718 N PHE A 45 -0.746 -7.190 8.596 1.00 0.00 N ATOM 719 CA PHE A 45 -1.929 -8.031 8.750 1.00 0.00 C ATOM 720 C PHE A 45 -1.776 -9.342 7.978 1.00 0.00 C ATOM 721 O PHE A 45 -1.870 -9.363 6.751 1.00 0.00 O ATOM 722 CB PHE A 45 -3.177 -7.284 8.275 1.00 0.00 C ATOM 723 CG PHE A 45 -4.308 -7.320 9.263 1.00 0.00 C ATOM 724 CD1 PHE A 45 -4.425 -6.342 10.238 1.00 0.00 C ATOM 725 CD2 PHE A 45 -5.254 -8.331 9.217 1.00 0.00 C ATOM 726 CE1 PHE A 45 -5.463 -6.372 11.148 1.00 0.00 C ATOM 727 CE2 PHE A 45 -6.295 -8.367 10.125 1.00 0.00 C ATOM 728 CZ PHE A 45 -6.400 -7.385 11.092 1.00 0.00 C ATOM 0 H PHE A 45 -0.247 -7.319 7.716 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.038 -8.269 9.808 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.914 -6.246 8.073 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.514 -7.717 7.333 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.696 -5.547 10.287 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.177 -9.100 8.463 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.542 -5.604 11.903 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.025 -9.161 10.079 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.213 -7.410 11.802 1.00 0.00 H new ATOM 738 N ALA A 46 -1.539 -10.434 8.704 1.00 0.00 N ATOM 739 CA ALA A 46 -1.374 -11.745 8.085 1.00 0.00 C ATOM 740 C ALA A 46 -0.145 -11.787 7.176 1.00 0.00 C ATOM 741 O ALA A 46 -0.128 -12.512 6.181 1.00 0.00 O ATOM 742 CB ALA A 46 -2.623 -12.117 7.299 1.00 0.00 C ATOM 0 H ALA A 46 -1.457 -10.435 9.721 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.223 -12.473 8.882 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.487 -13.097 6.842 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.481 -12.146 7.971 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.797 -11.375 6.520 1.00 0.00 H new ATOM 748 N GLY A 47 0.888 -11.013 7.521 1.00 0.00 N ATOM 749 CA GLY A 47 2.104 -10.990 6.722 1.00 0.00 C ATOM 750 C GLY A 47 1.832 -10.885 5.230 1.00 0.00 C ATOM 751 O GLY A 47 2.328 -11.695 4.447 1.00 0.00 O ATOM 0 H GLY A 47 0.902 -10.403 8.339 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.721 -10.147 7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.678 -11.895 6.918 1.00 0.00 H new ATOM 755 N LYS A 48 1.043 -9.887 4.832 1.00 0.00 N ATOM 756 CA LYS A 48 0.715 -9.693 3.424 1.00 0.00 C ATOM 757 C LYS A 48 1.459 -8.488 2.851 1.00 0.00 C ATOM 758 O LYS A 48 1.234 -7.353 3.271 1.00 0.00 O ATOM 759 CB LYS A 48 -0.793 -9.505 3.250 1.00 0.00 C ATOM 760 CG LYS A 48 -1.307 -9.950 1.891 1.00 0.00 C ATOM 761 CD LYS A 48 -1.453 -11.462 1.817 1.00 0.00 C ATOM 762 CE LYS A 48 -0.174 -12.126 1.332 1.00 0.00 C ATOM 763 NZ LYS A 48 0.386 -13.060 2.347 1.00 0.00 N ATOM 0 H LYS A 48 0.622 -9.205 5.463 1.00 0.00 H new ATOM 0 HA LYS A 48 1.028 -10.584 2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.313 -10.065 4.027 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.039 -8.453 3.396 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.271 -9.480 1.694 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.622 -9.611 1.113 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.715 -11.851 2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.273 -11.716 1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.375 -12.671 0.409 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.565 -11.361 1.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.219 -13.543 1.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.665 -12.525 3.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.334 -13.766 2.604 1.00 0.00 H new ATOM 777 N GLN A 49 2.345 -8.738 1.887 1.00 0.00 N ATOM 778 CA GLN A 49 3.115 -7.666 1.263 1.00 0.00 C ATOM 779 C GLN A 49 2.370 -7.090 0.060 1.00 0.00 C ATOM 780 O GLN A 49 1.331 -7.610 -0.345 1.00 0.00 O ATOM 781 CB GLN A 49 4.491 -8.175 0.829 1.00 0.00 C ATOM 782 CG GLN A 49 5.606 -7.160 1.027 1.00 0.00 C ATOM 783 CD GLN A 49 6.812 -7.745 1.739 1.00 0.00 C ATOM 784 OE1 GLN A 49 6.932 -7.642 2.961 1.00 0.00 O ATOM 785 NE2 GLN A 49 7.715 -8.364 0.982 1.00 0.00 N ATOM 0 H GLN A 49 2.546 -9.670 1.524 1.00 0.00 H new ATOM 0 HA GLN A 49 3.248 -6.875 2.001 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.729 -9.078 1.391 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.450 -8.456 -0.223 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.915 -6.772 0.056 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.225 -6.315 1.601 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.578 -8.427 -0.027 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.544 -8.775 1.411 1.00 0.00 H new ATOM 794 N LEU A 50 2.907 -6.011 -0.509 1.00 0.00 N ATOM 795 CA LEU A 50 2.287 -5.368 -1.667 1.00 0.00 C ATOM 796 C LEU A 50 2.597 -6.125 -2.962 1.00 0.00 C ATOM 797 O LEU A 50 1.860 -6.007 -3.942 1.00 0.00 O ATOM 798 CB LEU A 50 2.752 -3.913 -1.788 1.00 0.00 C ATOM 799 CG LEU A 50 1.793 -2.876 -1.201 1.00 0.00 C ATOM 800 CD1 LEU A 50 2.559 -1.654 -0.719 1.00 0.00 C ATOM 801 CD2 LEU A 50 0.743 -2.480 -2.228 1.00 0.00 C ATOM 0 H LEU A 50 3.767 -5.565 -0.188 1.00 0.00 H new ATOM 0 HA LEU A 50 1.208 -5.386 -1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.718 -3.814 -1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.909 -3.684 -2.842 1.00 0.00 H new ATOM 0 HG LEU A 50 1.285 -3.321 -0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.861 -0.927 -0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.272 -1.951 0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.094 -1.206 -1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.069 -1.742 -1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.233 -2.053 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.173 -3.361 -2.524 1.00 0.00 H new ATOM 813 N GLU A 51 3.685 -6.896 -2.970 1.00 0.00 N ATOM 814 CA GLU A 51 4.069 -7.654 -4.160 1.00 0.00 C ATOM 815 C GLU A 51 3.232 -8.925 -4.304 1.00 0.00 C ATOM 816 O GLU A 51 2.895 -9.326 -5.418 1.00 0.00 O ATOM 817 CB GLU A 51 5.556 -8.016 -4.110 1.00 0.00 C ATOM 818 CG GLU A 51 6.475 -6.808 -4.032 1.00 0.00 C ATOM 819 CD GLU A 51 7.862 -7.095 -4.572 1.00 0.00 C ATOM 820 OE1 GLU A 51 8.331 -8.243 -4.422 1.00 0.00 O ATOM 821 OE2 GLU A 51 8.480 -6.171 -5.142 1.00 0.00 O ATOM 0 H GLU A 51 4.311 -7.011 -2.173 1.00 0.00 H new ATOM 0 HA GLU A 51 3.883 -7.020 -5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.737 -8.656 -3.246 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.809 -8.598 -4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.034 -5.984 -4.593 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.553 -6.482 -2.995 1.00 0.00 H new ATOM 828 N ASP A 52 2.889 -9.555 -3.177 1.00 0.00 N ATOM 829 CA ASP A 52 2.089 -10.768 -3.189 1.00 0.00 C ATOM 830 C ASP A 52 0.879 -10.590 -4.087 1.00 0.00 C ATOM 831 O ASP A 52 0.001 -9.776 -3.801 1.00 0.00 O ATOM 832 CB ASP A 52 1.637 -11.136 -1.773 1.00 0.00 C ATOM 833 CG ASP A 52 2.694 -11.912 -1.012 1.00 0.00 C ATOM 834 OD1 ASP A 52 2.925 -13.091 -1.354 1.00 0.00 O ATOM 835 OD2 ASP A 52 3.289 -11.342 -0.073 1.00 0.00 O ATOM 0 H ASP A 52 3.157 -9.238 -2.245 1.00 0.00 H new ATOM 0 HA ASP A 52 2.706 -11.578 -3.577 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.393 -10.226 -1.225 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.724 -11.729 -1.829 1.00 0.00 H new ATOM 840 N GLY A 53 0.831 -11.348 -5.170 1.00 0.00 N ATOM 841 CA GLY A 53 -0.287 -11.250 -6.087 1.00 0.00 C ATOM 842 C GLY A 53 -1.575 -11.804 -5.499 1.00 0.00 C ATOM 843 O GLY A 53 -2.256 -12.607 -6.137 1.00 0.00 O ATOM 0 H GLY A 53 1.544 -12.029 -5.432 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.437 -10.206 -6.361 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.049 -11.789 -7.004 1.00 0.00 H new ATOM 847 N ARG A 54 -1.918 -11.377 -4.280 1.00 0.00 N ATOM 848 CA ARG A 54 -3.136 -11.847 -3.628 1.00 0.00 C ATOM 849 C ARG A 54 -4.200 -10.749 -3.608 1.00 0.00 C ATOM 850 O ARG A 54 -3.888 -9.571 -3.777 1.00 0.00 O ATOM 851 CB ARG A 54 -2.830 -12.306 -2.201 1.00 0.00 C ATOM 852 CG ARG A 54 -3.514 -13.610 -1.823 1.00 0.00 C ATOM 853 CD ARG A 54 -2.703 -14.816 -2.272 1.00 0.00 C ATOM 854 NE ARG A 54 -1.722 -15.230 -1.267 1.00 0.00 N ATOM 855 CZ ARG A 54 -0.638 -15.953 -1.543 1.00 0.00 C ATOM 856 NH1 ARG A 54 -0.393 -16.349 -2.786 1.00 0.00 N ATOM 857 NH2 ARG A 54 0.205 -16.285 -0.573 1.00 0.00 N ATOM 0 H ARG A 54 -1.372 -10.712 -3.732 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.523 -12.692 -4.198 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.752 -12.425 -2.089 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.139 -11.528 -1.503 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.656 -13.648 -0.743 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.505 -13.647 -2.276 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.377 -15.646 -2.483 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.188 -14.579 -3.203 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.878 -14.948 -0.299 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.037 -16.100 -3.537 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.439 -16.902 -2.990 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.023 -15.986 0.385 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.035 -16.839 -0.786 1.00 0.00 H new ATOM 871 N THR A 55 -5.455 -11.141 -3.398 1.00 0.00 N ATOM 872 CA THR A 55 -6.553 -10.181 -3.356 1.00 0.00 C ATOM 873 C THR A 55 -6.924 -9.845 -1.910 1.00 0.00 C ATOM 874 O THR A 55 -6.883 -10.708 -1.034 1.00 0.00 O ATOM 875 CB THR A 55 -7.769 -10.731 -4.112 1.00 0.00 C ATOM 876 OG1 THR A 55 -8.721 -9.707 -4.359 1.00 0.00 O ATOM 877 CG2 THR A 55 -8.476 -11.858 -3.389 1.00 0.00 C ATOM 0 H THR A 55 -5.735 -12.111 -3.255 1.00 0.00 H new ATOM 0 HA THR A 55 -6.227 -9.262 -3.844 1.00 0.00 H new ATOM 0 HB THR A 55 -7.365 -11.124 -5.045 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.486 -10.082 -4.843 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.325 -12.196 -3.983 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.784 -12.687 -3.242 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.829 -11.504 -2.420 1.00 0.00 H new ATOM 885 N LEU A 56 -7.272 -8.583 -1.661 1.00 0.00 N ATOM 886 CA LEU A 56 -7.633 -8.139 -0.310 1.00 0.00 C ATOM 887 C LEU A 56 -8.709 -9.034 0.313 1.00 0.00 C ATOM 888 O LEU A 56 -8.619 -9.394 1.487 1.00 0.00 O ATOM 889 CB LEU A 56 -8.114 -6.679 -0.322 1.00 0.00 C ATOM 890 CG LEU A 56 -8.967 -6.271 -1.528 1.00 0.00 C ATOM 891 CD1 LEU A 56 -10.231 -5.556 -1.075 1.00 0.00 C ATOM 892 CD2 LEU A 56 -8.165 -5.389 -2.474 1.00 0.00 C ATOM 0 H LEU A 56 -7.312 -7.852 -2.371 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.733 -8.213 0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.690 -6.498 0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.241 -6.028 -0.280 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.259 -7.175 -2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.822 -5.275 -1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.816 -6.220 -0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.962 -4.660 -0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.786 -5.109 -3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.843 -4.490 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.291 -5.936 -2.828 1.00 0.00 H new ATOM 904 N SER A 57 -9.728 -9.382 -0.468 1.00 0.00 N ATOM 905 CA SER A 57 -10.819 -10.223 0.025 1.00 0.00 C ATOM 906 C SER A 57 -10.318 -11.581 0.528 1.00 0.00 C ATOM 907 O SER A 57 -10.909 -12.164 1.437 1.00 0.00 O ATOM 908 CB SER A 57 -11.870 -10.429 -1.071 1.00 0.00 C ATOM 909 OG SER A 57 -12.640 -11.596 -0.836 1.00 0.00 O ATOM 0 H SER A 57 -9.823 -9.096 -1.443 1.00 0.00 H new ATOM 0 HA SER A 57 -11.270 -9.703 0.870 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.527 -9.560 -1.115 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.377 -10.505 -2.040 1.00 0.00 H new ATOM 0 HG SER A 57 -13.303 -11.700 -1.550 1.00 0.00 H new ATOM 915 N ASP A 58 -9.239 -12.093 -0.067 1.00 0.00 N ATOM 916 CA ASP A 58 -8.694 -13.391 0.337 1.00 0.00 C ATOM 917 C ASP A 58 -8.348 -13.416 1.827 1.00 0.00 C ATOM 918 O ASP A 58 -8.564 -14.423 2.501 1.00 0.00 O ATOM 919 CB ASP A 58 -7.454 -13.745 -0.490 1.00 0.00 C ATOM 920 CG ASP A 58 -7.792 -14.580 -1.709 1.00 0.00 C ATOM 921 OD1 ASP A 58 -8.871 -14.359 -2.299 1.00 0.00 O ATOM 922 OD2 ASP A 58 -6.979 -15.456 -2.074 1.00 0.00 O ATOM 0 H ASP A 58 -8.730 -11.635 -0.822 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.468 -14.136 0.152 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.958 -12.828 -0.807 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.747 -14.290 0.135 1.00 0.00 H new ATOM 927 N TYR A 59 -7.807 -12.311 2.342 1.00 0.00 N ATOM 928 CA TYR A 59 -7.435 -12.236 3.753 1.00 0.00 C ATOM 929 C TYR A 59 -8.492 -11.498 4.582 1.00 0.00 C ATOM 930 O TYR A 59 -8.214 -11.066 5.702 1.00 0.00 O ATOM 931 CB TYR A 59 -6.078 -11.548 3.907 1.00 0.00 C ATOM 932 CG TYR A 59 -4.904 -12.472 3.675 1.00 0.00 C ATOM 933 CD1 TYR A 59 -4.516 -12.824 2.388 1.00 0.00 C ATOM 934 CD2 TYR A 59 -4.186 -12.993 4.743 1.00 0.00 C ATOM 935 CE1 TYR A 59 -3.443 -13.668 2.173 1.00 0.00 C ATOM 936 CE2 TYR A 59 -3.112 -13.839 4.536 1.00 0.00 C ATOM 937 CZ TYR A 59 -2.745 -14.173 3.249 1.00 0.00 C ATOM 938 OH TYR A 59 -1.677 -15.016 3.038 1.00 0.00 O ATOM 0 H TYR A 59 -7.618 -11.463 1.807 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.369 -13.257 4.129 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.020 -10.716 3.205 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.005 -11.126 4.909 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.062 -12.432 1.542 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.471 -12.733 5.752 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.153 -13.931 1.166 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.564 -14.236 5.377 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.294 -15.281 3.900 1.00 0.00 H new ATOM 948 N ASN A 60 -9.704 -11.358 4.040 1.00 0.00 N ATOM 949 CA ASN A 60 -10.789 -10.679 4.746 1.00 0.00 C ATOM 950 C ASN A 60 -10.495 -9.191 4.970 1.00 0.00 C ATOM 951 O ASN A 60 -11.163 -8.545 5.777 1.00 0.00 O ATOM 952 CB ASN A 60 -11.051 -11.360 6.091 1.00 0.00 C ATOM 953 CG ASN A 60 -12.454 -11.100 6.607 1.00 0.00 C ATOM 954 OD1 ASN A 60 -13.375 -10.851 5.830 1.00 0.00 O ATOM 955 ND2 ASN A 60 -12.628 -11.155 7.927 1.00 0.00 N ATOM 0 H ASN A 60 -9.957 -11.706 3.115 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.676 -10.750 4.116 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.898 -12.434 5.987 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.326 -11.004 6.823 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.551 -10.987 8.327 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.838 -11.365 8.537 1.00 0.00 H new ATOM 962 N ILE A 61 -9.510 -8.638 4.256 1.00 0.00 N ATOM 963 CA ILE A 61 -9.177 -7.224 4.402 1.00 0.00 C ATOM 964 C ILE A 61 -9.984 -6.369 3.423 1.00 0.00 C ATOM 965 O ILE A 61 -9.420 -5.689 2.566 1.00 0.00 O ATOM 966 CB ILE A 61 -7.669 -6.963 4.196 1.00 0.00 C ATOM 967 CG1 ILE A 61 -7.216 -7.460 2.823 1.00 0.00 C ATOM 968 CG2 ILE A 61 -6.861 -7.630 5.298 1.00 0.00 C ATOM 969 CD1 ILE A 61 -6.039 -6.693 2.260 1.00 0.00 C ATOM 0 H ILE A 61 -8.937 -9.143 3.580 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.435 -6.943 5.423 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.497 -5.888 4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.950 -8.514 2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.052 -7.390 2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.800 -7.437 5.139 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.162 -7.227 6.265 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.041 -8.705 5.281 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.772 -7.100 1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.307 -5.642 2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.189 -6.784 2.936 1.00 0.00 H new ATOM 981 N GLN A 62 -11.310 -6.412 3.555 1.00 0.00 N ATOM 982 CA GLN A 62 -12.192 -5.646 2.681 1.00 0.00 C ATOM 983 C GLN A 62 -12.692 -4.382 3.389 1.00 0.00 C ATOM 984 O GLN A 62 -12.081 -3.933 4.358 1.00 0.00 O ATOM 985 CB GLN A 62 -13.367 -6.527 2.232 1.00 0.00 C ATOM 986 CG GLN A 62 -14.425 -6.738 3.304 1.00 0.00 C ATOM 987 CD GLN A 62 -14.939 -8.166 3.343 1.00 0.00 C ATOM 988 OE1 GLN A 62 -16.134 -8.409 3.172 1.00 0.00 O ATOM 989 NE2 GLN A 62 -14.042 -9.124 3.568 1.00 0.00 N ATOM 0 H GLN A 62 -11.794 -6.969 4.259 1.00 0.00 H new ATOM 0 HA GLN A 62 -11.634 -5.332 1.799 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -13.835 -6.074 1.358 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -12.982 -7.498 1.920 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -14.008 -6.479 4.277 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -15.259 -6.060 3.124 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -13.061 -8.882 3.705 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -14.336 -10.100 3.604 1.00 0.00 H new ATOM 998 N LYS A 63 -13.796 -3.800 2.903 1.00 0.00 N ATOM 999 CA LYS A 63 -14.355 -2.582 3.499 1.00 0.00 C ATOM 1000 C LYS A 63 -14.283 -2.616 5.028 1.00 0.00 C ATOM 1001 O LYS A 63 -14.430 -3.673 5.640 1.00 0.00 O ATOM 1002 CB LYS A 63 -15.808 -2.388 3.057 1.00 0.00 C ATOM 1003 CG LYS A 63 -16.684 -3.610 3.287 1.00 0.00 C ATOM 1004 CD LYS A 63 -18.129 -3.343 2.893 1.00 0.00 C ATOM 1005 CE LYS A 63 -18.674 -4.442 1.994 1.00 0.00 C ATOM 1006 NZ LYS A 63 -19.096 -5.640 2.772 1.00 0.00 N ATOM 0 H LYS A 63 -14.318 -4.153 2.101 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.753 -1.743 3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.233 -1.541 3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.825 -2.133 1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.298 -4.450 2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.640 -3.898 4.337 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -18.744 -3.267 3.790 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -18.196 -2.384 2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -19.523 -4.060 1.428 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.912 -4.730 1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.461 -6.365 2.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.280 -6.021 3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -19.842 -5.372 3.445 1.00 0.00 H new ATOM 1020 N GLU A 64 -14.047 -1.448 5.631 1.00 0.00 N ATOM 1021 CA GLU A 64 -13.947 -1.323 7.085 1.00 0.00 C ATOM 1022 C GLU A 64 -12.907 -2.282 7.674 1.00 0.00 C ATOM 1023 O GLU A 64 -13.008 -2.669 8.838 1.00 0.00 O ATOM 1024 CB GLU A 64 -15.317 -1.543 7.745 1.00 0.00 C ATOM 1025 CG GLU A 64 -15.771 -2.995 7.788 1.00 0.00 C ATOM 1026 CD GLU A 64 -16.749 -3.264 8.916 1.00 0.00 C ATOM 1027 OE1 GLU A 64 -16.294 -3.463 10.061 1.00 0.00 O ATOM 1028 OE2 GLU A 64 -17.970 -3.277 8.653 1.00 0.00 O ATOM 0 H GLU A 64 -13.921 -0.569 5.129 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.613 -0.308 7.299 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.282 -1.156 8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -16.063 -0.958 7.207 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.237 -3.255 6.838 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.901 -3.641 7.904 1.00 0.00 H new ATOM 1035 N SER A 65 -11.903 -2.658 6.879 1.00 0.00 N ATOM 1036 CA SER A 65 -10.857 -3.560 7.353 1.00 0.00 C ATOM 1037 C SER A 65 -9.876 -2.825 8.263 1.00 0.00 C ATOM 1038 O SER A 65 -9.946 -1.605 8.406 1.00 0.00 O ATOM 1039 CB SER A 65 -10.100 -4.184 6.176 1.00 0.00 C ATOM 1040 OG SER A 65 -9.842 -3.222 5.167 1.00 0.00 O ATOM 0 H SER A 65 -11.794 -2.353 5.912 1.00 0.00 H new ATOM 0 HA SER A 65 -11.339 -4.354 7.923 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.159 -4.607 6.528 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.683 -5.005 5.759 1.00 0.00 H new ATOM 0 HG SER A 65 -10.600 -3.187 4.547 1.00 0.00 H new ATOM 1046 N THR A 66 -8.954 -3.572 8.868 1.00 0.00 N ATOM 1047 CA THR A 66 -7.955 -2.983 9.750 1.00 0.00 C ATOM 1048 C THR A 66 -6.586 -2.977 9.073 1.00 0.00 C ATOM 1049 O THR A 66 -5.765 -3.862 9.309 1.00 0.00 O ATOM 1050 CB THR A 66 -7.885 -3.756 11.069 1.00 0.00 C ATOM 1051 OG1 THR A 66 -9.097 -4.452 11.314 1.00 0.00 O ATOM 1052 CG2 THR A 66 -7.608 -2.872 12.268 1.00 0.00 C ATOM 0 H THR A 66 -8.880 -4.584 8.762 1.00 0.00 H new ATOM 0 HA THR A 66 -8.246 -1.954 9.962 1.00 0.00 H new ATOM 0 HB THR A 66 -7.053 -4.450 10.950 1.00 0.00 H new ATOM 0 HG1 THR A 66 -9.028 -4.940 12.161 1.00 0.00 H new ATOM 0 HG21 THR A 66 -7.571 -3.483 13.170 1.00 0.00 H new ATOM 0 HG22 THR A 66 -6.652 -2.366 12.134 1.00 0.00 H new ATOM 0 HG23 THR A 66 -8.401 -2.130 12.364 1.00 0.00 H new ATOM 1060 N LEU A 67 -6.348 -1.981 8.219 1.00 0.00 N ATOM 1061 CA LEU A 67 -5.080 -1.880 7.504 1.00 0.00 C ATOM 1062 C LEU A 67 -4.137 -0.887 8.182 1.00 0.00 C ATOM 1063 O LEU A 67 -4.345 0.324 8.113 1.00 0.00 O ATOM 1064 CB LEU A 67 -5.324 -1.463 6.051 1.00 0.00 C ATOM 1065 CG LEU A 67 -4.722 -2.396 4.999 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -5.656 -3.566 4.729 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -4.434 -1.634 3.714 1.00 0.00 C ATOM 0 H LEU A 67 -7.014 -1.238 8.008 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.607 -2.862 7.522 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.399 -1.397 5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.917 -0.463 5.903 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.781 -2.789 5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.212 -4.220 3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.813 -4.126 5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.612 -3.191 4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.006 -2.313 2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.361 -1.213 3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.728 -0.829 3.919 1.00 0.00 H new ATOM 1079 N HIS A 68 -3.096 -1.407 8.831 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.121 -0.563 9.511 1.00 0.00 C ATOM 1081 C HIS A 68 -0.804 -0.533 8.737 1.00 0.00 C ATOM 1082 O HIS A 68 -0.031 -1.490 8.776 1.00 0.00 O ATOM 1083 CB HIS A 68 -1.879 -1.069 10.934 1.00 0.00 C ATOM 1084 CG HIS A 68 -1.101 -0.115 11.785 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -1.475 0.628 12.853 1.00 0.00 N flip ATOM 1086 CD2 HIS A 68 0.233 0.165 11.574 1.00 0.00 C flip ATOM 1087 CE1 HIS A 68 -0.371 1.335 13.263 1.00 0.00 C flip ATOM 1088 NE2 HIS A 68 0.646 1.037 12.477 1.00 0.00 N flip ATOM 0 H HIS A 68 -2.908 -2.407 8.899 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.521 0.450 9.560 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.840 -1.266 11.409 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.346 -2.019 10.887 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.845 -0.262 10.793 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.340 2.024 14.094 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.590 1.415 12.553 1.00 0.00 H new ATOM 1097 N LEU A 69 -0.554 0.568 8.030 1.00 0.00 N ATOM 1098 CA LEU A 69 0.671 0.709 7.246 1.00 0.00 C ATOM 1099 C LEU A 69 1.757 1.423 8.050 1.00 0.00 C ATOM 1100 O LEU A 69 1.486 1.983 9.113 1.00 0.00 O ATOM 1101 CB LEU A 69 0.388 1.474 5.950 1.00 0.00 C ATOM 1102 CG LEU A 69 0.364 0.616 4.683 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -0.794 1.020 3.783 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.685 0.731 3.936 1.00 0.00 C ATOM 0 H LEU A 69 -1.180 1.372 7.984 1.00 0.00 H new ATOM 0 HA LEU A 69 1.030 -0.290 6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.573 1.979 6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.145 2.249 5.831 1.00 0.00 H new ATOM 0 HG LEU A 69 0.223 -0.424 4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.793 0.398 2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.734 0.885 4.318 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.685 2.066 3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.650 0.114 3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.855 1.771 3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.497 0.391 4.578 1.00 0.00 H new ATOM 1116 N VAL A 70 2.986 1.400 7.537 1.00 0.00 N ATOM 1117 CA VAL A 70 4.105 2.047 8.211 1.00 0.00 C ATOM 1118 C VAL A 70 4.474 3.364 7.530 1.00 0.00 C ATOM 1119 O VAL A 70 3.920 3.705 6.484 1.00 0.00 O ATOM 1120 CB VAL A 70 5.345 1.133 8.247 1.00 0.00 C ATOM 1121 CG1 VAL A 70 5.057 -0.127 9.048 1.00 0.00 C ATOM 1122 CG2 VAL A 70 5.796 0.784 6.836 1.00 0.00 C ATOM 0 H VAL A 70 3.229 0.941 6.659 1.00 0.00 H new ATOM 0 HA VAL A 70 3.783 2.249 9.233 1.00 0.00 H new ATOM 0 HB VAL A 70 6.155 1.672 8.739 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.944 -0.760 9.062 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.789 0.144 10.069 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.231 -0.670 8.588 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.673 0.138 6.884 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.991 0.266 6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.047 1.698 6.298 1.00 0.00 H new ATOM 1132 N LEU A 71 5.409 4.103 8.126 1.00 0.00 N ATOM 1133 CA LEU A 71 5.840 5.381 7.566 1.00 0.00 C ATOM 1134 C LEU A 71 6.795 5.166 6.392 1.00 0.00 C ATOM 1135 O LEU A 71 7.532 4.182 6.353 1.00 0.00 O ATOM 1136 CB LEU A 71 6.518 6.239 8.638 1.00 0.00 C ATOM 1137 CG LEU A 71 5.643 6.569 9.851 1.00 0.00 C ATOM 1138 CD1 LEU A 71 6.065 5.745 11.057 1.00 0.00 C ATOM 1139 CD2 LEU A 71 5.711 8.056 10.171 1.00 0.00 C ATOM 0 H LEU A 71 5.880 3.840 8.992 1.00 0.00 H new ATOM 0 HA LEU A 71 4.954 5.903 7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.413 5.721 8.984 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.846 7.172 8.181 1.00 0.00 H new ATOM 0 HG LEU A 71 4.611 6.316 9.607 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.431 5.994 11.908 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.963 4.684 10.827 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.104 5.965 11.302 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.083 8.271 11.036 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.741 8.334 10.393 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.357 8.629 9.314 1.00 0.00 H new