USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 580 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 56 SER OG : rot -59:sc= 0.818 USER MOD Set 1.2: A 61 HIS : no HD1:sc= -0.231 K(o=0.59,f=-0.87) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.143 (180deg=-0.686) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.155 K(o=-0.15,f=-2.5!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -160:sc= -1.58 (180deg=-2.46!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 13 LYS NZ :NH3+ -175:sc= 1.27 (180deg=1.14) USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= 0.666 (180deg=0.381) USER MOD Single : A 15 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0637) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 28 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-0.62) USER MOD Single : A 29 HIS : no HD1:sc= -0.0198 X(o=-0.02,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= -0.0347 (180deg=-0.337) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 67:sc= 1 USER MOD Single : A 36 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.59) USER MOD Single : A 43 ASN : amide:sc= 1.22 K(o=1.2,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 166:sc=-0.00499 (180deg=-0.186) USER MOD Single : A 50 THR OG1 : rot 93:sc= 1.19 USER MOD Single : A 51 LYS NZ :NH3+ 128:sc= 1.3 (180deg=0.349) USER MOD Single : A 52 LYS NZ :NH3+ -165:sc= -0.0436 (180deg=-0.255) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.00061) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.0436 X(o=-0.044,f=-0.052) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.978 -5.630 1.579 1.00 0.00 N ATOM 2 CA MET A 1 13.840 -5.881 0.420 1.00 0.00 C ATOM 3 C MET A 1 13.015 -6.034 -0.836 1.00 0.00 C ATOM 4 O MET A 1 13.096 -5.212 -1.744 1.00 0.00 O ATOM 5 CB MET A 1 14.724 -7.130 0.617 1.00 0.00 C ATOM 6 CG MET A 1 15.887 -6.959 1.582 1.00 0.00 C ATOM 7 SD MET A 1 17.128 -5.778 0.985 1.00 0.00 S ATOM 8 CE MET A 1 17.686 -6.573 -0.531 1.00 0.00 C ATOM 0 H1 MET A 1 13.564 -5.528 2.432 1.00 0.00 H new ATOM 0 H2 MET A 1 12.435 -4.756 1.425 1.00 0.00 H new ATOM 0 H3 MET A 1 12.322 -6.428 1.703 1.00 0.00 H new ATOM 0 HA MET A 1 14.496 -5.016 0.319 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.096 -7.947 0.972 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.120 -7.431 -0.353 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.506 -6.623 2.546 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.362 -7.926 1.746 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.660 -6.174 -0.814 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.767 -7.648 -0.370 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.969 -6.379 -1.329 1.00 0.00 H new ATOM 20 N ASN A 2 12.199 -7.068 -0.873 1.00 0.00 N ATOM 21 CA ASN A 2 11.399 -7.385 -2.045 1.00 0.00 C ATOM 22 C ASN A 2 10.209 -6.437 -2.133 1.00 0.00 C ATOM 23 O ASN A 2 9.123 -6.737 -1.632 1.00 0.00 O ATOM 24 CB ASN A 2 10.875 -8.847 -2.013 1.00 0.00 C ATOM 25 CG ASN A 2 11.938 -9.940 -1.861 1.00 0.00 C ATOM 26 OD1 ASN A 2 12.993 -9.745 -1.251 1.00 0.00 O ATOM 27 ND2 ASN A 2 11.658 -11.107 -2.389 1.00 0.00 N ATOM 0 H ASN A 2 12.070 -7.713 -0.094 1.00 0.00 H new ATOM 0 HA ASN A 2 12.043 -7.270 -2.917 1.00 0.00 H new ATOM 0 HB2 ASN A 2 10.167 -8.940 -1.189 1.00 0.00 H new ATOM 0 HB3 ASN A 2 10.320 -9.033 -2.933 1.00 0.00 H new ATOM 0 HD21 ASN A 2 12.319 -11.879 -2.300 1.00 0.00 H new ATOM 0 HD22 ASN A 2 10.779 -11.243 -2.888 1.00 0.00 H new ATOM 34 N VAL A 3 10.409 -5.289 -2.756 1.00 0.00 N ATOM 35 CA VAL A 3 9.357 -4.278 -2.873 1.00 0.00 C ATOM 36 C VAL A 3 8.198 -4.747 -3.756 1.00 0.00 C ATOM 37 O VAL A 3 7.092 -4.214 -3.685 1.00 0.00 O ATOM 38 CB VAL A 3 9.888 -2.899 -3.340 1.00 0.00 C ATOM 39 CG1 VAL A 3 10.848 -2.320 -2.310 1.00 0.00 C ATOM 40 CG2 VAL A 3 10.565 -2.989 -4.698 1.00 0.00 C ATOM 0 H VAL A 3 11.293 -5.027 -3.193 1.00 0.00 H new ATOM 0 HA VAL A 3 8.972 -4.142 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 3 9.030 -2.234 -3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 3 11.211 -1.352 -2.655 1.00 0.00 H new ATOM 0 HG12 VAL A 3 10.330 -2.196 -1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 3 11.692 -2.997 -2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 3 10.924 -2.003 -4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 3 11.407 -3.679 -4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.850 -3.350 -5.438 1.00 0.00 H new ATOM 50 N THR A 4 8.450 -5.767 -4.552 1.00 0.00 N ATOM 51 CA THR A 4 7.423 -6.383 -5.367 1.00 0.00 C ATOM 52 C THR A 4 6.324 -6.994 -4.473 1.00 0.00 C ATOM 53 O THR A 4 5.157 -7.056 -4.857 1.00 0.00 O ATOM 54 CB THR A 4 8.013 -7.467 -6.326 1.00 0.00 C ATOM 55 OG1 THR A 4 6.987 -8.017 -7.169 1.00 0.00 O ATOM 56 CG2 THR A 4 8.688 -8.591 -5.555 1.00 0.00 C ATOM 0 H THR A 4 9.372 -6.192 -4.652 1.00 0.00 H new ATOM 0 HA THR A 4 6.983 -5.602 -5.988 1.00 0.00 H new ATOM 0 HB THR A 4 8.762 -6.972 -6.944 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.378 -8.692 -7.762 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.086 -9.325 -6.256 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.502 -8.183 -4.956 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.961 -9.071 -4.900 1.00 0.00 H new ATOM 64 N LYS A 5 6.696 -7.377 -3.252 1.00 0.00 N ATOM 65 CA LYS A 5 5.750 -7.967 -2.332 1.00 0.00 C ATOM 66 C LYS A 5 4.855 -6.888 -1.758 1.00 0.00 C ATOM 67 O LYS A 5 3.700 -7.133 -1.436 1.00 0.00 O ATOM 68 CB LYS A 5 6.453 -8.727 -1.215 1.00 0.00 C ATOM 69 CG LYS A 5 7.410 -9.808 -1.706 1.00 0.00 C ATOM 70 CD LYS A 5 7.981 -10.652 -0.563 1.00 0.00 C ATOM 71 CE LYS A 5 7.020 -11.752 -0.064 1.00 0.00 C ATOM 72 NZ LYS A 5 5.726 -11.252 0.452 1.00 0.00 N ATOM 0 H LYS A 5 7.644 -7.286 -2.887 1.00 0.00 H new ATOM 0 HA LYS A 5 5.143 -8.686 -2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.007 -8.018 -0.600 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.701 -9.186 -0.573 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.888 -10.459 -2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.229 -9.342 -2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.910 -11.116 -0.895 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.233 -9.996 0.271 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.826 -12.445 -0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.516 -12.319 0.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.292 -11.975 1.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.884 -10.384 1.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.091 -11.045 -0.345 1.00 0.00 H new ATOM 86 N LEU A 6 5.386 -5.678 -1.672 1.00 0.00 N ATOM 87 CA LEU A 6 4.616 -4.548 -1.195 1.00 0.00 C ATOM 88 C LEU A 6 3.577 -4.223 -2.273 1.00 0.00 C ATOM 89 O LEU A 6 2.418 -3.963 -1.976 1.00 0.00 O ATOM 90 CB LEU A 6 5.565 -3.344 -0.911 1.00 0.00 C ATOM 91 CG LEU A 6 5.038 -2.157 -0.048 1.00 0.00 C ATOM 92 CD1 LEU A 6 3.930 -1.375 -0.730 1.00 0.00 C ATOM 93 CD2 LEU A 6 4.580 -2.642 1.322 1.00 0.00 C ATOM 0 H LEU A 6 6.348 -5.457 -1.927 1.00 0.00 H new ATOM 0 HA LEU A 6 4.107 -4.773 -0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.457 -3.736 -0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.880 -2.938 -1.873 1.00 0.00 H new ATOM 0 HG LEU A 6 5.877 -1.473 0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.605 -0.562 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.300 -0.963 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.088 -2.037 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.217 -1.796 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.778 -3.370 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.417 -3.108 1.842 1.00 0.00 H new ATOM 105 N ASN A 7 4.009 -4.303 -3.531 1.00 0.00 N ATOM 106 CA ASN A 7 3.127 -4.104 -4.693 1.00 0.00 C ATOM 107 C ASN A 7 1.999 -5.148 -4.685 1.00 0.00 C ATOM 108 O ASN A 7 0.827 -4.835 -4.960 1.00 0.00 O ATOM 109 CB ASN A 7 3.935 -4.189 -6.006 1.00 0.00 C ATOM 110 CG ASN A 7 3.071 -4.088 -7.258 1.00 0.00 C ATOM 111 OD1 ASN A 7 2.586 -5.096 -7.773 1.00 0.00 O ATOM 112 ND2 ASN A 7 2.901 -2.903 -7.772 1.00 0.00 N ATOM 0 H ASN A 7 4.977 -4.507 -3.779 1.00 0.00 H new ATOM 0 HA ASN A 7 2.683 -3.111 -4.629 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.676 -3.390 -6.020 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.482 -5.132 -6.027 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.353 -2.791 -8.625 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.316 -2.087 -7.321 1.00 0.00 H new ATOM 119 N ASP A 8 2.366 -6.378 -4.337 1.00 0.00 N ATOM 120 CA ASP A 8 1.419 -7.496 -4.189 1.00 0.00 C ATOM 121 C ASP A 8 0.397 -7.204 -3.097 1.00 0.00 C ATOM 122 O ASP A 8 -0.805 -7.486 -3.252 1.00 0.00 O ATOM 123 CB ASP A 8 2.182 -8.791 -3.880 1.00 0.00 C ATOM 124 CG ASP A 8 1.292 -9.949 -3.472 1.00 0.00 C ATOM 125 OD1 ASP A 8 0.481 -10.427 -4.290 1.00 0.00 O ATOM 126 OD2 ASP A 8 1.414 -10.426 -2.321 1.00 0.00 O ATOM 0 H ASP A 8 3.334 -6.636 -4.147 1.00 0.00 H new ATOM 0 HA ASP A 8 0.879 -7.619 -5.128 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.757 -9.080 -4.760 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.898 -8.597 -3.081 1.00 0.00 H new ATOM 131 N ARG A 9 0.871 -6.615 -2.008 1.00 0.00 N ATOM 132 CA ARG A 9 0.009 -6.198 -0.911 1.00 0.00 C ATOM 133 C ARG A 9 -0.976 -5.140 -1.383 1.00 0.00 C ATOM 134 O ARG A 9 -2.146 -5.171 -1.017 1.00 0.00 O ATOM 135 CB ARG A 9 0.826 -5.667 0.265 1.00 0.00 C ATOM 136 CG ARG A 9 1.661 -6.721 0.973 1.00 0.00 C ATOM 137 CD ARG A 9 2.475 -6.107 2.099 1.00 0.00 C ATOM 138 NE ARG A 9 1.622 -5.404 3.061 1.00 0.00 N ATOM 139 CZ ARG A 9 2.029 -4.826 4.195 1.00 0.00 C ATOM 140 NH1 ARG A 9 3.303 -4.917 4.584 1.00 0.00 N ATOM 141 NH2 ARG A 9 1.154 -4.169 4.955 1.00 0.00 N ATOM 0 H ARG A 9 1.860 -6.413 -1.860 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.545 -7.073 -0.571 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.487 -4.878 -0.094 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.148 -5.212 0.987 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.009 -7.498 1.373 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.328 -7.202 0.258 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.035 -6.889 2.612 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.205 -5.412 1.684 1.00 0.00 H new ATOM 0 HE ARG A 9 0.626 -5.351 2.845 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.975 -5.431 4.014 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.604 -4.472 5.451 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.176 -4.108 4.671 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.462 -3.727 5.821 1.00 0.00 H new ATOM 155 N ILE A 10 -0.499 -4.222 -2.217 1.00 0.00 N ATOM 156 CA ILE A 10 -1.351 -3.190 -2.795 1.00 0.00 C ATOM 157 C ILE A 10 -2.456 -3.846 -3.625 1.00 0.00 C ATOM 158 O ILE A 10 -3.621 -3.507 -3.475 1.00 0.00 O ATOM 159 CB ILE A 10 -0.549 -2.195 -3.683 1.00 0.00 C ATOM 160 CG1 ILE A 10 0.566 -1.537 -2.872 1.00 0.00 C ATOM 161 CG2 ILE A 10 -1.476 -1.121 -4.264 1.00 0.00 C ATOM 162 CD1 ILE A 10 1.463 -0.634 -3.686 1.00 0.00 C ATOM 0 H ILE A 10 0.477 -4.172 -2.508 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.784 -2.620 -1.973 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.105 -2.755 -4.506 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.120 -0.957 -2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.173 -2.315 -2.409 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.896 -0.435 -4.882 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.246 -1.595 -4.873 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.946 -0.568 -3.451 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.229 -0.204 -3.041 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.939 -1.212 -4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.869 0.167 -4.127 1.00 0.00 H new ATOM 174 N GLU A 11 -2.076 -4.817 -4.465 1.00 0.00 N ATOM 175 CA GLU A 11 -3.040 -5.569 -5.279 1.00 0.00 C ATOM 176 C GLU A 11 -4.107 -6.216 -4.413 1.00 0.00 C ATOM 177 O GLU A 11 -5.295 -6.119 -4.709 1.00 0.00 O ATOM 178 CB GLU A 11 -2.348 -6.641 -6.130 1.00 0.00 C ATOM 179 CG GLU A 11 -1.538 -6.096 -7.284 1.00 0.00 C ATOM 180 CD GLU A 11 -2.396 -5.335 -8.265 1.00 0.00 C ATOM 181 OE1 GLU A 11 -2.932 -5.939 -9.209 1.00 0.00 O ATOM 182 OE2 GLU A 11 -2.550 -4.111 -8.116 1.00 0.00 O ATOM 0 H GLU A 11 -1.106 -5.101 -4.599 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.515 -4.850 -5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.693 -7.230 -5.488 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.105 -7.321 -6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.756 -5.440 -6.901 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.041 -6.918 -7.799 1.00 0.00 H new ATOM 189 N ALA A 12 -3.678 -6.826 -3.321 1.00 0.00 N ATOM 190 CA ALA A 12 -4.584 -7.491 -2.403 1.00 0.00 C ATOM 191 C ALA A 12 -5.546 -6.490 -1.775 1.00 0.00 C ATOM 192 O ALA A 12 -6.743 -6.777 -1.612 1.00 0.00 O ATOM 193 CB ALA A 12 -3.802 -8.231 -1.327 1.00 0.00 C ATOM 0 H ALA A 12 -2.696 -6.874 -3.048 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.170 -8.218 -2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.496 -8.724 -0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.159 -8.977 -1.793 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.190 -7.522 -0.769 1.00 0.00 H new ATOM 199 N LYS A 13 -5.037 -5.302 -1.483 1.00 0.00 N ATOM 200 CA LYS A 13 -5.826 -4.261 -0.855 1.00 0.00 C ATOM 201 C LYS A 13 -6.819 -3.691 -1.866 1.00 0.00 C ATOM 202 O LYS A 13 -7.943 -3.355 -1.520 1.00 0.00 O ATOM 203 CB LYS A 13 -4.919 -3.148 -0.309 1.00 0.00 C ATOM 204 CG LYS A 13 -5.615 -2.182 0.646 1.00 0.00 C ATOM 205 CD LYS A 13 -6.059 -2.916 1.902 1.00 0.00 C ATOM 206 CE LYS A 13 -6.711 -1.997 2.914 1.00 0.00 C ATOM 207 NZ LYS A 13 -7.087 -2.744 4.129 1.00 0.00 N ATOM 0 H LYS A 13 -4.071 -5.037 -1.675 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.375 -4.691 -0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.074 -3.604 0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.513 -2.582 -1.148 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.938 -1.369 0.911 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.477 -1.731 0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.760 -3.705 1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.196 -3.400 2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.026 -1.190 3.174 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.596 -1.535 2.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.608 -2.117 4.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.690 -3.550 3.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.229 -3.093 4.602 1.00 0.00 H new ATOM 221 N LYS A 14 -6.383 -3.600 -3.110 1.00 0.00 N ATOM 222 CA LYS A 14 -7.217 -3.141 -4.215 1.00 0.00 C ATOM 223 C LYS A 14 -8.401 -4.078 -4.420 1.00 0.00 C ATOM 224 O LYS A 14 -9.550 -3.630 -4.491 1.00 0.00 O ATOM 225 CB LYS A 14 -6.365 -2.999 -5.489 1.00 0.00 C ATOM 226 CG LYS A 14 -5.415 -1.808 -5.428 1.00 0.00 C ATOM 227 CD LYS A 14 -4.311 -1.791 -6.499 1.00 0.00 C ATOM 228 CE LYS A 14 -4.817 -1.800 -7.942 1.00 0.00 C ATOM 229 NZ LYS A 14 -5.127 -3.165 -8.422 1.00 0.00 N ATOM 0 H LYS A 14 -5.432 -3.844 -3.388 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.625 -2.159 -3.975 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.789 -3.912 -5.640 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.023 -2.891 -6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.000 -0.893 -5.519 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.945 -1.790 -4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.694 -0.905 -6.351 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.666 -2.657 -6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.711 -1.180 -8.015 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.065 -1.352 -8.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.168 -3.167 -9.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.386 -3.822 -8.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.045 -3.468 -8.039 1.00 0.00 H new ATOM 243 N LYS A 15 -8.118 -5.377 -4.458 1.00 0.00 N ATOM 244 CA LYS A 15 -9.150 -6.412 -4.586 1.00 0.00 C ATOM 245 C LYS A 15 -10.134 -6.322 -3.420 1.00 0.00 C ATOM 246 O LYS A 15 -11.363 -6.470 -3.594 1.00 0.00 O ATOM 247 CB LYS A 15 -8.497 -7.791 -4.584 1.00 0.00 C ATOM 248 CG LYS A 15 -7.537 -8.035 -5.739 1.00 0.00 C ATOM 249 CD LYS A 15 -6.808 -9.363 -5.591 1.00 0.00 C ATOM 250 CE LYS A 15 -7.745 -10.553 -5.693 1.00 0.00 C ATOM 251 NZ LYS A 15 -8.297 -10.713 -7.054 1.00 0.00 N ATOM 0 H LYS A 15 -7.169 -5.746 -4.401 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.686 -6.259 -5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.958 -7.923 -3.646 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.279 -8.550 -4.611 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.088 -8.025 -6.679 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.810 -7.224 -5.787 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.041 -9.441 -6.362 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.297 -9.388 -4.629 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.210 -11.460 -5.411 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.563 -10.431 -4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.821 -11.610 -7.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.939 -9.922 -7.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.520 -10.720 -7.745 1.00 0.00 H new ATOM 265 N GLU A 16 -9.588 -6.063 -2.247 1.00 0.00 N ATOM 266 CA GLU A 16 -10.355 -5.930 -1.033 1.00 0.00 C ATOM 267 C GLU A 16 -11.250 -4.695 -1.097 1.00 0.00 C ATOM 268 O GLU A 16 -12.455 -4.788 -0.869 1.00 0.00 O ATOM 269 CB GLU A 16 -9.410 -5.837 0.168 1.00 0.00 C ATOM 270 CG GLU A 16 -10.102 -5.691 1.510 1.00 0.00 C ATOM 271 CD GLU A 16 -9.123 -5.575 2.645 1.00 0.00 C ATOM 272 OE1 GLU A 16 -8.577 -6.610 3.077 1.00 0.00 O ATOM 273 OE2 GLU A 16 -8.874 -4.461 3.132 1.00 0.00 O ATOM 0 H GLU A 16 -8.584 -5.938 -2.114 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.991 -6.808 -0.921 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.786 -6.730 0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.744 -4.986 0.024 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.742 -4.809 1.493 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.750 -6.551 1.678 1.00 0.00 H new ATOM 280 N LEU A 17 -10.662 -3.555 -1.443 1.00 0.00 N ATOM 281 CA LEU A 17 -11.382 -2.292 -1.498 1.00 0.00 C ATOM 282 C LEU A 17 -12.541 -2.346 -2.482 1.00 0.00 C ATOM 283 O LEU A 17 -13.613 -1.857 -2.184 1.00 0.00 O ATOM 284 CB LEU A 17 -10.451 -1.116 -1.819 1.00 0.00 C ATOM 285 CG LEU A 17 -11.110 0.274 -1.836 1.00 0.00 C ATOM 286 CD1 LEU A 17 -11.729 0.599 -0.489 1.00 0.00 C ATOM 287 CD2 LEU A 17 -10.107 1.337 -2.212 1.00 0.00 C ATOM 0 H LEU A 17 -9.676 -3.482 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.795 -2.126 -0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.644 -1.106 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.995 -1.293 -2.793 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.901 0.257 -2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.188 1.587 -0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -12.489 -0.145 -0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.955 0.589 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.595 2.312 -2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.294 1.343 -1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.707 1.126 -3.204 1.00 0.00 H new ATOM 299 N ILE A 18 -12.324 -2.965 -3.635 1.00 0.00 N ATOM 300 CA ILE A 18 -13.386 -3.137 -4.634 1.00 0.00 C ATOM 301 C ILE A 18 -14.582 -3.871 -4.009 1.00 0.00 C ATOM 302 O ILE A 18 -15.738 -3.460 -4.176 1.00 0.00 O ATOM 303 CB ILE A 18 -12.873 -3.898 -5.898 1.00 0.00 C ATOM 304 CG1 ILE A 18 -11.788 -3.071 -6.603 1.00 0.00 C ATOM 305 CG2 ILE A 18 -14.022 -4.211 -6.863 1.00 0.00 C ATOM 306 CD1 ILE A 18 -11.167 -3.750 -7.804 1.00 0.00 C ATOM 0 H ILE A 18 -11.423 -3.359 -3.908 1.00 0.00 H new ATOM 0 HA ILE A 18 -13.705 -2.147 -4.959 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.444 -4.847 -5.575 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.220 -2.122 -6.920 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.001 -2.839 -5.885 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -13.633 -4.741 -7.732 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -14.761 -4.834 -6.359 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.491 -3.281 -7.185 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.412 -3.097 -8.241 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.702 -4.685 -7.493 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.940 -3.958 -8.544 1.00 0.00 H new ATOM 318 N TYR A 19 -14.284 -4.902 -3.237 1.00 0.00 N ATOM 319 CA TYR A 19 -15.300 -5.672 -2.541 1.00 0.00 C ATOM 320 C TYR A 19 -15.976 -4.820 -1.449 1.00 0.00 C ATOM 321 O TYR A 19 -17.193 -4.854 -1.279 1.00 0.00 O ATOM 322 CB TYR A 19 -14.659 -6.934 -1.942 1.00 0.00 C ATOM 323 CG TYR A 19 -15.575 -7.781 -1.087 1.00 0.00 C ATOM 324 CD1 TYR A 19 -16.547 -8.585 -1.661 1.00 0.00 C ATOM 325 CD2 TYR A 19 -15.446 -7.791 0.298 1.00 0.00 C ATOM 326 CE1 TYR A 19 -17.367 -9.373 -0.881 1.00 0.00 C ATOM 327 CE2 TYR A 19 -16.265 -8.573 1.083 1.00 0.00 C ATOM 328 CZ TYR A 19 -17.221 -9.364 0.489 1.00 0.00 C ATOM 329 OH TYR A 19 -18.032 -10.163 1.270 1.00 0.00 O ATOM 0 H TYR A 19 -13.331 -5.229 -3.075 1.00 0.00 H new ATOM 0 HA TYR A 19 -16.074 -5.971 -3.248 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.278 -7.549 -2.757 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.801 -6.635 -1.340 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -16.664 -8.595 -2.735 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -14.692 -7.176 0.766 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -18.120 -9.994 -1.342 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -16.157 -8.565 2.158 1.00 0.00 H new ATOM 0 HH TYR A 19 -17.800 -10.040 2.214 1.00 0.00 H new ATOM 339 N LEU A 20 -15.178 -4.042 -0.745 1.00 0.00 N ATOM 340 CA LEU A 20 -15.663 -3.190 0.332 1.00 0.00 C ATOM 341 C LEU A 20 -16.587 -2.091 -0.195 1.00 0.00 C ATOM 342 O LEU A 20 -17.587 -1.767 0.439 1.00 0.00 O ATOM 343 CB LEU A 20 -14.491 -2.610 1.128 1.00 0.00 C ATOM 344 CG LEU A 20 -13.566 -3.648 1.787 1.00 0.00 C ATOM 345 CD1 LEU A 20 -12.379 -2.986 2.435 1.00 0.00 C ATOM 346 CD2 LEU A 20 -14.318 -4.496 2.805 1.00 0.00 C ATOM 0 H LEU A 20 -14.172 -3.980 -0.901 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.256 -3.805 1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.894 -1.987 0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.889 -1.957 1.905 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.205 -4.306 0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.744 -3.745 2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.810 -2.442 1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.723 -2.291 3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.635 -5.219 3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.726 -3.852 3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.132 -5.024 2.308 1.00 0.00 H new ATOM 358 N VAL A 21 -16.270 -1.550 -1.367 1.00 0.00 N ATOM 359 CA VAL A 21 -17.126 -0.550 -2.016 1.00 0.00 C ATOM 360 C VAL A 21 -18.476 -1.180 -2.373 1.00 0.00 C ATOM 361 O VAL A 21 -19.525 -0.560 -2.231 1.00 0.00 O ATOM 362 CB VAL A 21 -16.473 0.050 -3.302 1.00 0.00 C ATOM 363 CG1 VAL A 21 -17.412 1.035 -3.991 1.00 0.00 C ATOM 364 CG2 VAL A 21 -15.159 0.738 -2.973 1.00 0.00 C ATOM 0 H VAL A 21 -15.427 -1.784 -1.891 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.264 0.267 -1.308 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.277 -0.778 -3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -16.929 1.435 -4.882 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -18.331 0.523 -4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -17.648 1.851 -3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -14.724 1.147 -3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.339 1.545 -2.263 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.470 0.016 -2.535 1.00 0.00 H new ATOM 374 N GLU A 22 -18.436 -2.423 -2.796 1.00 0.00 N ATOM 375 CA GLU A 22 -19.643 -3.145 -3.128 1.00 0.00 C ATOM 376 C GLU A 22 -20.489 -3.395 -1.893 1.00 0.00 C ATOM 377 O GLU A 22 -21.702 -3.281 -1.939 1.00 0.00 O ATOM 378 CB GLU A 22 -19.320 -4.478 -3.796 1.00 0.00 C ATOM 379 CG GLU A 22 -18.655 -4.348 -5.142 1.00 0.00 C ATOM 380 CD GLU A 22 -19.531 -3.642 -6.141 1.00 0.00 C ATOM 381 OE1 GLU A 22 -20.534 -4.238 -6.581 1.00 0.00 O ATOM 382 OE2 GLU A 22 -19.233 -2.485 -6.510 1.00 0.00 O ATOM 0 H GLU A 22 -17.576 -2.957 -2.919 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.206 -2.525 -3.825 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.671 -5.054 -3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.243 -5.047 -3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.718 -3.801 -5.032 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.403 -5.339 -5.518 1.00 0.00 H new ATOM 389 N LYS A 23 -19.848 -3.727 -0.800 1.00 0.00 N ATOM 390 CA LYS A 23 -20.570 -4.071 0.406 1.00 0.00 C ATOM 391 C LYS A 23 -21.015 -2.863 1.213 1.00 0.00 C ATOM 392 O LYS A 23 -22.163 -2.786 1.620 1.00 0.00 O ATOM 393 CB LYS A 23 -19.778 -5.044 1.287 1.00 0.00 C ATOM 394 CG LYS A 23 -19.377 -6.340 0.583 1.00 0.00 C ATOM 395 CD LYS A 23 -20.564 -7.043 -0.075 1.00 0.00 C ATOM 396 CE LYS A 23 -21.634 -7.470 0.924 1.00 0.00 C ATOM 397 NZ LYS A 23 -22.796 -8.067 0.239 1.00 0.00 N ATOM 0 H LYS A 23 -18.832 -3.767 -0.717 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.477 -4.570 0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -18.878 -4.544 1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -20.375 -5.290 2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -18.624 -6.120 -0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -18.915 -7.013 1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -21.010 -6.377 -0.813 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -20.206 -7.921 -0.613 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -21.213 -8.190 1.626 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -21.956 -6.607 1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -23.508 -8.348 0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -23.210 -7.371 -0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -22.490 -8.904 -0.297 1.00 0.00 H new ATOM 411 N TYR A 24 -20.127 -1.932 1.437 1.00 0.00 N ATOM 412 CA TYR A 24 -20.426 -0.795 2.306 1.00 0.00 C ATOM 413 C TYR A 24 -20.872 0.423 1.515 1.00 0.00 C ATOM 414 O TYR A 24 -21.770 1.157 1.935 1.00 0.00 O ATOM 415 CB TYR A 24 -19.206 -0.427 3.155 1.00 0.00 C ATOM 416 CG TYR A 24 -18.723 -1.516 4.092 1.00 0.00 C ATOM 417 CD1 TYR A 24 -17.835 -2.492 3.659 1.00 0.00 C ATOM 418 CD2 TYR A 24 -19.142 -1.554 5.412 1.00 0.00 C ATOM 419 CE1 TYR A 24 -17.381 -3.471 4.515 1.00 0.00 C ATOM 420 CE2 TYR A 24 -18.693 -2.531 6.273 1.00 0.00 C ATOM 421 CZ TYR A 24 -17.811 -3.488 5.818 1.00 0.00 C ATOM 422 OH TYR A 24 -17.351 -4.464 6.677 1.00 0.00 O ATOM 0 H TYR A 24 -19.189 -1.926 1.037 1.00 0.00 H new ATOM 0 HA TYR A 24 -21.246 -1.101 2.956 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -18.388 -0.153 2.489 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -19.446 0.458 3.744 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -17.495 -2.483 2.634 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -19.832 -0.805 5.772 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -16.690 -4.222 4.162 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -19.030 -2.547 7.299 1.00 0.00 H new ATOM 0 HH TYR A 24 -17.750 -4.335 7.563 1.00 0.00 H new ATOM 432 N GLY A 25 -20.249 0.639 0.393 1.00 0.00 N ATOM 433 CA GLY A 25 -20.547 1.789 -0.411 1.00 0.00 C ATOM 434 C GLY A 25 -19.285 2.541 -0.724 1.00 0.00 C ATOM 435 O GLY A 25 -18.198 2.045 -0.455 1.00 0.00 O ATOM 0 H GLY A 25 -19.526 0.029 0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -21.034 1.480 -1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.246 2.439 0.115 1.00 0.00 H new ATOM 439 N PHE A 26 -19.408 3.725 -1.268 1.00 0.00 N ATOM 440 CA PHE A 26 -18.245 4.517 -1.618 1.00 0.00 C ATOM 441 C PHE A 26 -18.127 5.782 -0.764 1.00 0.00 C ATOM 442 O PHE A 26 -17.029 6.266 -0.510 1.00 0.00 O ATOM 443 CB PHE A 26 -18.200 4.834 -3.130 1.00 0.00 C ATOM 444 CG PHE A 26 -19.397 5.572 -3.683 1.00 0.00 C ATOM 445 CD1 PHE A 26 -20.556 4.889 -4.027 1.00 0.00 C ATOM 446 CD2 PHE A 26 -19.356 6.942 -3.874 1.00 0.00 C ATOM 447 CE1 PHE A 26 -21.646 5.558 -4.540 1.00 0.00 C ATOM 448 CE2 PHE A 26 -20.443 7.618 -4.391 1.00 0.00 C ATOM 449 CZ PHE A 26 -21.589 6.926 -4.727 1.00 0.00 C ATOM 0 H PHE A 26 -20.302 4.167 -1.481 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.370 3.907 -1.393 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -17.307 5.426 -3.332 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.091 3.897 -3.675 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -20.604 3.819 -3.891 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -18.462 7.490 -3.615 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -22.543 5.014 -4.796 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -20.397 8.688 -4.532 1.00 0.00 H new ATOM 0 HZ PHE A 26 -22.439 7.452 -5.135 1.00 0.00 H new ATOM 459 N THR A 27 -19.249 6.308 -0.295 1.00 0.00 N ATOM 460 CA THR A 27 -19.219 7.496 0.548 1.00 0.00 C ATOM 461 C THR A 27 -19.108 7.122 2.033 1.00 0.00 C ATOM 462 O THR A 27 -19.057 7.988 2.914 1.00 0.00 O ATOM 463 CB THR A 27 -20.445 8.404 0.293 1.00 0.00 C ATOM 464 OG1 THR A 27 -21.634 7.606 0.241 1.00 0.00 O ATOM 465 CG2 THR A 27 -20.290 9.184 -1.001 1.00 0.00 C ATOM 0 H THR A 27 -20.181 5.937 -0.480 1.00 0.00 H new ATOM 0 HA THR A 27 -18.328 8.063 0.279 1.00 0.00 H new ATOM 0 HB THR A 27 -20.519 9.118 1.113 1.00 0.00 H new ATOM 0 HG1 THR A 27 -22.409 8.184 0.081 1.00 0.00 H new ATOM 0 HG21 THR A 27 -21.167 9.813 -1.154 1.00 0.00 H new ATOM 0 HG22 THR A 27 -19.399 9.810 -0.944 1.00 0.00 H new ATOM 0 HG23 THR A 27 -20.192 8.489 -1.835 1.00 0.00 H new ATOM 473 N HIS A 28 -19.062 5.820 2.284 1.00 0.00 N ATOM 474 CA HIS A 28 -18.904 5.259 3.617 1.00 0.00 C ATOM 475 C HIS A 28 -17.498 5.634 4.115 1.00 0.00 C ATOM 476 O HIS A 28 -16.507 5.372 3.423 1.00 0.00 O ATOM 477 CB HIS A 28 -19.087 3.724 3.519 1.00 0.00 C ATOM 478 CG HIS A 28 -19.040 2.953 4.818 1.00 0.00 C ATOM 479 ND1 HIS A 28 -20.155 2.492 5.477 1.00 0.00 N ATOM 480 CD2 HIS A 28 -17.982 2.511 5.536 1.00 0.00 C ATOM 481 CE1 HIS A 28 -19.756 1.803 6.542 1.00 0.00 C ATOM 482 NE2 HIS A 28 -18.436 1.782 6.625 1.00 0.00 N ATOM 0 H HIS A 28 -19.135 5.113 1.553 1.00 0.00 H new ATOM 0 HA HIS A 28 -19.641 5.647 4.320 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -20.045 3.525 3.039 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -18.313 3.330 2.861 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -16.945 2.697 5.298 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -20.421 1.324 7.246 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -17.870 1.325 7.340 1.00 0.00 H new ATOM 490 N HIS A 29 -17.417 6.234 5.299 1.00 0.00 N ATOM 491 CA HIS A 29 -16.149 6.787 5.818 1.00 0.00 C ATOM 492 C HIS A 29 -15.029 5.761 5.940 1.00 0.00 C ATOM 493 O HIS A 29 -13.876 6.072 5.625 1.00 0.00 O ATOM 494 CB HIS A 29 -16.330 7.560 7.135 1.00 0.00 C ATOM 495 CG HIS A 29 -17.186 8.784 7.010 1.00 0.00 C ATOM 496 ND1 HIS A 29 -18.083 9.195 7.965 1.00 0.00 N ATOM 497 CD2 HIS A 29 -17.244 9.710 6.023 1.00 0.00 C ATOM 498 CE1 HIS A 29 -18.649 10.324 7.547 1.00 0.00 C ATOM 499 NE2 HIS A 29 -18.173 10.684 6.363 1.00 0.00 N ATOM 0 H HIS A 29 -18.212 6.355 5.926 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.835 7.498 5.054 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -16.771 6.895 7.877 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -15.349 7.852 7.511 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -16.660 9.693 5.115 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -19.397 10.874 8.099 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -18.435 11.505 5.817 1.00 0.00 H new ATOM 507 N LYS A 30 -15.347 4.553 6.369 1.00 0.00 N ATOM 508 CA LYS A 30 -14.339 3.507 6.464 1.00 0.00 C ATOM 509 C LYS A 30 -13.814 3.116 5.098 1.00 0.00 C ATOM 510 O LYS A 30 -12.635 2.868 4.949 1.00 0.00 O ATOM 511 CB LYS A 30 -14.816 2.279 7.252 1.00 0.00 C ATOM 512 CG LYS A 30 -15.009 2.525 8.745 1.00 0.00 C ATOM 513 CD LYS A 30 -13.705 2.973 9.408 1.00 0.00 C ATOM 514 CE LYS A 30 -13.862 3.123 10.913 1.00 0.00 C ATOM 515 NZ LYS A 30 -14.225 1.850 11.557 1.00 0.00 N ATOM 0 H LYS A 30 -16.285 4.271 6.655 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.514 3.934 7.034 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.759 1.934 6.828 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.093 1.474 7.119 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.775 3.286 8.894 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.368 1.613 9.223 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.920 2.247 9.195 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.386 3.923 8.979 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.930 3.493 11.340 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.628 3.869 11.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.060 1.920 12.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.229 1.646 11.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.642 1.084 11.164 1.00 0.00 H new ATOM 529 N VAL A 31 -14.672 3.138 4.094 1.00 0.00 N ATOM 530 CA VAL A 31 -14.261 2.816 2.730 1.00 0.00 C ATOM 531 C VAL A 31 -13.293 3.880 2.223 1.00 0.00 C ATOM 532 O VAL A 31 -12.274 3.571 1.589 1.00 0.00 O ATOM 533 CB VAL A 31 -15.476 2.675 1.776 1.00 0.00 C ATOM 534 CG1 VAL A 31 -15.026 2.441 0.339 1.00 0.00 C ATOM 535 CG2 VAL A 31 -16.353 1.527 2.230 1.00 0.00 C ATOM 0 H VAL A 31 -15.659 3.375 4.193 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.758 1.849 2.746 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.042 3.606 1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.900 2.346 -0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.419 3.283 0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -14.436 1.526 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -17.205 1.432 1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -15.776 0.602 2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.710 1.720 3.242 1.00 0.00 H new ATOM 545 N ILE A 32 -13.580 5.125 2.555 1.00 0.00 N ATOM 546 CA ILE A 32 -12.702 6.231 2.218 1.00 0.00 C ATOM 547 C ILE A 32 -11.367 6.058 2.962 1.00 0.00 C ATOM 548 O ILE A 32 -10.300 6.302 2.414 1.00 0.00 O ATOM 549 CB ILE A 32 -13.351 7.595 2.581 1.00 0.00 C ATOM 550 CG1 ILE A 32 -14.707 7.734 1.867 1.00 0.00 C ATOM 551 CG2 ILE A 32 -12.424 8.758 2.198 1.00 0.00 C ATOM 552 CD1 ILE A 32 -15.477 8.981 2.232 1.00 0.00 C ATOM 0 H ILE A 32 -14.422 5.397 3.062 1.00 0.00 H new ATOM 0 HA ILE A 32 -12.527 6.227 1.142 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.510 7.630 3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.540 7.727 0.790 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.318 6.862 2.100 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.899 9.703 2.461 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.481 8.664 2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.234 8.734 1.125 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -16.419 9.000 1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.679 8.983 3.303 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.889 9.861 1.972 1.00 0.00 H new ATOM 564 N SER A 33 -11.446 5.569 4.188 1.00 0.00 N ATOM 565 CA SER A 33 -10.271 5.304 4.999 1.00 0.00 C ATOM 566 C SER A 33 -9.438 4.170 4.372 1.00 0.00 C ATOM 567 O SER A 33 -8.210 4.205 4.404 1.00 0.00 O ATOM 568 CB SER A 33 -10.696 4.948 6.436 1.00 0.00 C ATOM 569 OG SER A 33 -9.583 4.790 7.310 1.00 0.00 O ATOM 0 H SER A 33 -12.328 5.345 4.649 1.00 0.00 H new ATOM 0 HA SER A 33 -9.650 6.199 5.036 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.349 5.730 6.823 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.277 4.026 6.422 1.00 0.00 H new ATOM 0 HG SER A 33 -9.902 4.567 8.209 1.00 0.00 H new ATOM 575 N PHE A 34 -10.108 3.182 3.789 1.00 0.00 N ATOM 576 CA PHE A 34 -9.411 2.084 3.129 1.00 0.00 C ATOM 577 C PHE A 34 -8.800 2.569 1.823 1.00 0.00 C ATOM 578 O PHE A 34 -7.761 2.074 1.386 1.00 0.00 O ATOM 579 CB PHE A 34 -10.334 0.887 2.865 1.00 0.00 C ATOM 580 CG PHE A 34 -11.010 0.321 4.085 1.00 0.00 C ATOM 581 CD1 PHE A 34 -10.337 0.190 5.290 1.00 0.00 C ATOM 582 CD2 PHE A 34 -12.331 -0.070 4.022 1.00 0.00 C ATOM 583 CE1 PHE A 34 -10.975 -0.325 6.403 1.00 0.00 C ATOM 584 CE2 PHE A 34 -12.977 -0.583 5.126 1.00 0.00 C ATOM 585 CZ PHE A 34 -12.298 -0.712 6.321 1.00 0.00 C ATOM 0 H PHE A 34 -11.126 3.118 3.760 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.623 1.745 3.801 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -11.100 1.189 2.151 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.752 0.096 2.392 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -9.303 0.494 5.360 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.869 0.028 3.091 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -10.439 -0.425 7.336 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.012 -0.883 5.056 1.00 0.00 H new ATOM 0 HZ PHE A 34 -12.800 -1.114 7.189 1.00 0.00 H new ATOM 595 N SER A 35 -9.449 3.547 1.211 1.00 0.00 N ATOM 596 CA SER A 35 -8.932 4.175 0.016 1.00 0.00 C ATOM 597 C SER A 35 -7.651 4.942 0.369 1.00 0.00 C ATOM 598 O SER A 35 -6.668 4.920 -0.384 1.00 0.00 O ATOM 599 CB SER A 35 -9.988 5.104 -0.592 1.00 0.00 C ATOM 600 OG SER A 35 -11.190 4.388 -0.881 1.00 0.00 O ATOM 0 H SER A 35 -10.342 3.922 1.530 1.00 0.00 H new ATOM 0 HA SER A 35 -8.693 3.416 -0.729 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.203 5.919 0.099 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.600 5.554 -1.505 1.00 0.00 H new ATOM 0 HG SER A 35 -11.607 4.098 -0.043 1.00 0.00 H new ATOM 606 N GLN A 36 -7.655 5.567 1.556 1.00 0.00 N ATOM 607 CA GLN A 36 -6.483 6.255 2.071 1.00 0.00 C ATOM 608 C GLN A 36 -5.355 5.253 2.289 1.00 0.00 C ATOM 609 O GLN A 36 -4.201 5.551 2.015 1.00 0.00 O ATOM 610 CB GLN A 36 -6.790 7.004 3.378 1.00 0.00 C ATOM 611 CG GLN A 36 -7.826 8.119 3.244 1.00 0.00 C ATOM 612 CD GLN A 36 -8.103 8.825 4.562 1.00 0.00 C ATOM 613 OE1 GLN A 36 -7.230 8.926 5.423 1.00 0.00 O ATOM 614 NE2 GLN A 36 -9.308 9.305 4.738 1.00 0.00 N ATOM 0 H GLN A 36 -8.466 5.605 2.173 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.176 6.997 1.334 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.142 6.286 4.119 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.864 7.431 3.763 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.477 8.848 2.513 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.756 7.701 2.858 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.009 9.205 4.004 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.546 9.779 5.609 1.00 0.00 H new ATOM 623 N GLU A 37 -5.710 4.061 2.759 1.00 0.00 N ATOM 624 CA GLU A 37 -4.750 2.981 2.963 1.00 0.00 C ATOM 625 C GLU A 37 -4.136 2.514 1.653 1.00 0.00 C ATOM 626 O GLU A 37 -2.943 2.271 1.591 1.00 0.00 O ATOM 627 CB GLU A 37 -5.392 1.803 3.688 1.00 0.00 C ATOM 628 CG GLU A 37 -5.694 2.071 5.140 1.00 0.00 C ATOM 629 CD GLU A 37 -4.438 2.303 5.941 1.00 0.00 C ATOM 630 OE1 GLU A 37 -3.783 1.322 6.336 1.00 0.00 O ATOM 631 OE2 GLU A 37 -4.101 3.460 6.222 1.00 0.00 O ATOM 0 H GLU A 37 -6.668 3.817 3.009 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.951 3.383 3.586 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.317 1.536 3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.729 0.941 3.618 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.343 2.943 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.241 1.227 5.559 1.00 0.00 H new ATOM 638 N LEU A 38 -4.960 2.401 0.616 1.00 0.00 N ATOM 639 CA LEU A 38 -4.499 1.986 -0.711 1.00 0.00 C ATOM 640 C LEU A 38 -3.443 2.986 -1.193 1.00 0.00 C ATOM 641 O LEU A 38 -2.325 2.608 -1.563 1.00 0.00 O ATOM 642 CB LEU A 38 -5.719 1.920 -1.679 1.00 0.00 C ATOM 643 CG LEU A 38 -5.539 1.274 -3.084 1.00 0.00 C ATOM 644 CD1 LEU A 38 -6.894 1.112 -3.737 1.00 0.00 C ATOM 645 CD2 LEU A 38 -4.651 2.105 -4.009 1.00 0.00 C ATOM 0 H LEU A 38 -5.961 2.592 0.667 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.046 0.995 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.514 1.378 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.074 2.940 -1.830 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.052 0.311 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.772 0.660 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.522 0.471 -3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.366 2.089 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.562 1.605 -4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.095 3.091 -4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.662 2.213 -3.564 1.00 0.00 H new ATOM 657 N ASP A 39 -3.802 4.256 -1.133 1.00 0.00 N ATOM 658 CA ASP A 39 -2.912 5.354 -1.517 1.00 0.00 C ATOM 659 C ASP A 39 -1.641 5.360 -0.663 1.00 0.00 C ATOM 660 O ASP A 39 -0.536 5.567 -1.166 1.00 0.00 O ATOM 661 CB ASP A 39 -3.653 6.689 -1.391 1.00 0.00 C ATOM 662 CG ASP A 39 -2.749 7.890 -1.523 1.00 0.00 C ATOM 663 OD1 ASP A 39 -2.375 8.260 -2.655 1.00 0.00 O ATOM 664 OD2 ASP A 39 -2.421 8.507 -0.483 1.00 0.00 O ATOM 0 H ASP A 39 -4.722 4.563 -0.816 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.611 5.209 -2.555 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.427 6.740 -2.157 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.157 6.727 -0.425 1.00 0.00 H new ATOM 669 N ARG A 40 -1.813 5.094 0.609 1.00 0.00 N ATOM 670 CA ARG A 40 -0.726 5.042 1.573 1.00 0.00 C ATOM 671 C ARG A 40 0.251 3.902 1.244 1.00 0.00 C ATOM 672 O ARG A 40 1.468 4.092 1.291 1.00 0.00 O ATOM 673 CB ARG A 40 -1.324 4.921 2.981 1.00 0.00 C ATOM 674 CG ARG A 40 -0.353 4.812 4.136 1.00 0.00 C ATOM 675 CD ARG A 40 -1.096 5.047 5.450 1.00 0.00 C ATOM 676 NE ARG A 40 -1.548 6.451 5.550 1.00 0.00 N ATOM 677 CZ ARG A 40 -2.757 6.893 5.945 1.00 0.00 C ATOM 678 NH1 ARG A 40 -3.745 6.049 6.225 1.00 0.00 N ATOM 679 NH2 ARG A 40 -2.970 8.208 6.033 1.00 0.00 N ATOM 0 H ARG A 40 -2.728 4.903 1.017 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.139 5.959 1.526 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.959 5.790 3.154 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.971 4.044 2.999 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.114 3.827 4.141 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.447 5.543 4.023 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.954 4.378 5.513 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.444 4.809 6.290 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.868 7.165 5.291 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.596 5.043 6.142 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.653 6.407 6.522 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.222 8.862 5.802 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.881 8.558 6.331 1.00 0.00 H new ATOM 693 N LEU A 41 -0.284 2.746 0.868 1.00 0.00 N ATOM 694 CA LEU A 41 0.541 1.607 0.473 1.00 0.00 C ATOM 695 C LEU A 41 1.290 1.916 -0.815 1.00 0.00 C ATOM 696 O LEU A 41 2.473 1.618 -0.938 1.00 0.00 O ATOM 697 CB LEU A 41 -0.301 0.334 0.302 1.00 0.00 C ATOM 698 CG LEU A 41 -1.003 -0.202 1.554 1.00 0.00 C ATOM 699 CD1 LEU A 41 -1.830 -1.430 1.212 1.00 0.00 C ATOM 700 CD2 LEU A 41 0.010 -0.538 2.640 1.00 0.00 C ATOM 0 H LEU A 41 -1.288 2.571 0.828 1.00 0.00 H new ATOM 0 HA LEU A 41 1.262 1.428 1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.060 0.528 -0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.346 -0.452 -0.088 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.667 0.576 1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.322 -1.799 2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.582 -1.167 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.179 -2.207 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.511 -0.917 3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.700 -1.298 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.568 0.359 2.907 1.00 0.00 H new ATOM 712 N LEU A 42 0.599 2.537 -1.758 1.00 0.00 N ATOM 713 CA LEU A 42 1.198 2.930 -3.025 1.00 0.00 C ATOM 714 C LEU A 42 2.346 3.912 -2.792 1.00 0.00 C ATOM 715 O LEU A 42 3.426 3.775 -3.364 1.00 0.00 O ATOM 716 CB LEU A 42 0.136 3.539 -3.951 1.00 0.00 C ATOM 717 CG LEU A 42 0.619 4.024 -5.325 1.00 0.00 C ATOM 718 CD1 LEU A 42 1.203 2.877 -6.134 1.00 0.00 C ATOM 719 CD2 LEU A 42 -0.520 4.684 -6.084 1.00 0.00 C ATOM 0 H LEU A 42 -0.387 2.782 -1.668 1.00 0.00 H new ATOM 0 HA LEU A 42 1.605 2.042 -3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.646 2.796 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.324 4.382 -3.434 1.00 0.00 H new ATOM 0 HG LEU A 42 1.407 4.761 -5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.537 3.248 -7.103 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.050 2.448 -5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.441 2.111 -6.282 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.161 5.022 -7.056 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.328 3.966 -6.225 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.889 5.538 -5.516 1.00 0.00 H new ATOM 731 N ASN A 43 2.126 4.849 -1.898 1.00 0.00 N ATOM 732 CA ASN A 43 3.122 5.861 -1.579 1.00 0.00 C ATOM 733 C ASN A 43 4.325 5.297 -0.871 1.00 0.00 C ATOM 734 O ASN A 43 5.368 5.928 -0.842 1.00 0.00 O ATOM 735 CB ASN A 43 2.539 7.043 -0.815 1.00 0.00 C ATOM 736 CG ASN A 43 1.931 8.077 -1.726 1.00 0.00 C ATOM 737 OD1 ASN A 43 2.607 9.016 -2.141 1.00 0.00 O ATOM 738 ND2 ASN A 43 0.679 7.922 -2.058 1.00 0.00 N ATOM 0 H ASN A 43 1.257 4.936 -1.370 1.00 0.00 H new ATOM 0 HA ASN A 43 3.465 6.238 -2.543 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.779 6.683 -0.121 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.323 7.507 -0.217 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.230 8.593 -2.682 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.149 7.130 -1.694 1.00 0.00 H new ATOM 745 N LEU A 44 4.195 4.105 -0.310 1.00 0.00 N ATOM 746 CA LEU A 44 5.330 3.446 0.312 1.00 0.00 C ATOM 747 C LEU A 44 6.376 3.128 -0.750 1.00 0.00 C ATOM 748 O LEU A 44 7.567 3.302 -0.524 1.00 0.00 O ATOM 749 CB LEU A 44 4.907 2.174 1.057 1.00 0.00 C ATOM 750 CG LEU A 44 4.004 2.363 2.282 1.00 0.00 C ATOM 751 CD1 LEU A 44 3.620 1.017 2.870 1.00 0.00 C ATOM 752 CD2 LEU A 44 4.694 3.219 3.337 1.00 0.00 C ATOM 0 H LEU A 44 3.322 3.579 -0.273 1.00 0.00 H new ATOM 0 HA LEU A 44 5.759 4.122 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.392 1.522 0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.808 1.650 1.376 1.00 0.00 H new ATOM 0 HG LEU A 44 3.099 2.877 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.979 1.169 3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.085 0.432 2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.520 0.482 3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.034 3.339 4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.617 2.733 3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.925 4.198 2.917 1.00 0.00 H new ATOM 764 N LEU A 45 5.914 2.715 -1.933 1.00 0.00 N ATOM 765 CA LEU A 45 6.813 2.442 -3.052 1.00 0.00 C ATOM 766 C LEU A 45 7.526 3.722 -3.443 1.00 0.00 C ATOM 767 O LEU A 45 8.746 3.750 -3.581 1.00 0.00 O ATOM 768 CB LEU A 45 6.045 1.899 -4.268 1.00 0.00 C ATOM 769 CG LEU A 45 5.322 0.559 -4.098 1.00 0.00 C ATOM 770 CD1 LEU A 45 4.572 0.211 -5.373 1.00 0.00 C ATOM 771 CD2 LEU A 45 6.305 -0.553 -3.751 1.00 0.00 C ATOM 0 H LEU A 45 4.926 2.563 -2.138 1.00 0.00 H new ATOM 0 HA LEU A 45 7.532 1.686 -2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.308 2.646 -4.563 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.748 1.801 -5.095 1.00 0.00 H new ATOM 0 HG LEU A 45 4.613 0.655 -3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.060 -0.743 -5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.840 0.989 -5.589 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.277 0.136 -6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.765 -1.493 -3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.040 -0.652 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.814 -0.311 -2.818 1.00 0.00 H new ATOM 783 N ILE A 46 6.743 4.785 -3.577 1.00 0.00 N ATOM 784 CA ILE A 46 7.250 6.105 -3.934 1.00 0.00 C ATOM 785 C ILE A 46 8.285 6.593 -2.913 1.00 0.00 C ATOM 786 O ILE A 46 9.370 7.050 -3.299 1.00 0.00 O ATOM 787 CB ILE A 46 6.090 7.167 -4.127 1.00 0.00 C ATOM 788 CG1 ILE A 46 5.340 6.974 -5.472 1.00 0.00 C ATOM 789 CG2 ILE A 46 6.598 8.605 -4.018 1.00 0.00 C ATOM 790 CD1 ILE A 46 4.593 5.667 -5.631 1.00 0.00 C ATOM 0 H ILE A 46 5.733 4.756 -3.440 1.00 0.00 H new ATOM 0 HA ILE A 46 7.746 6.003 -4.899 1.00 0.00 H new ATOM 0 HB ILE A 46 5.387 6.991 -3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.630 7.793 -5.591 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.062 7.058 -6.284 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.767 9.296 -4.157 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.039 8.761 -3.034 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.351 8.784 -4.785 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.108 5.642 -6.607 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.294 4.836 -5.552 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.839 5.581 -4.848 1.00 0.00 H new ATOM 802 N GLU A 47 7.967 6.463 -1.629 1.00 0.00 N ATOM 803 CA GLU A 47 8.876 6.875 -0.573 1.00 0.00 C ATOM 804 C GLU A 47 10.184 6.128 -0.611 1.00 0.00 C ATOM 805 O GLU A 47 11.228 6.747 -0.688 1.00 0.00 O ATOM 806 CB GLU A 47 8.267 6.754 0.809 1.00 0.00 C ATOM 807 CG GLU A 47 7.250 7.814 1.152 1.00 0.00 C ATOM 808 CD GLU A 47 6.833 7.707 2.586 1.00 0.00 C ATOM 809 OE1 GLU A 47 7.715 7.710 3.464 1.00 0.00 O ATOM 810 OE2 GLU A 47 5.622 7.619 2.874 1.00 0.00 O ATOM 0 H GLU A 47 7.084 6.074 -1.297 1.00 0.00 H new ATOM 0 HA GLU A 47 9.072 7.929 -0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.794 5.776 0.897 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.068 6.788 1.547 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.670 8.802 0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.378 7.710 0.506 1.00 0.00 H new ATOM 817 N LEU A 48 10.137 4.807 -0.602 1.00 0.00 N ATOM 818 CA LEU A 48 11.371 4.015 -0.587 1.00 0.00 C ATOM 819 C LEU A 48 12.209 4.230 -1.839 1.00 0.00 C ATOM 820 O LEU A 48 13.440 4.221 -1.776 1.00 0.00 O ATOM 821 CB LEU A 48 11.122 2.516 -0.315 1.00 0.00 C ATOM 822 CG LEU A 48 10.867 2.092 1.159 1.00 0.00 C ATOM 823 CD1 LEU A 48 12.049 2.459 2.043 1.00 0.00 C ATOM 824 CD2 LEU A 48 9.587 2.691 1.725 1.00 0.00 C ATOM 0 H LEU A 48 9.276 4.260 -0.605 1.00 0.00 H new ATOM 0 HA LEU A 48 11.952 4.387 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.263 2.203 -0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.984 1.959 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 48 10.747 1.009 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.845 2.152 3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.944 1.951 1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.206 3.537 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.457 2.363 2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.650 3.779 1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.736 2.361 1.129 1.00 0.00 H new ATOM 836 N LYS A 49 11.537 4.460 -2.947 1.00 0.00 N ATOM 837 CA LYS A 49 12.182 4.746 -4.217 1.00 0.00 C ATOM 838 C LYS A 49 12.899 6.104 -4.154 1.00 0.00 C ATOM 839 O LYS A 49 14.080 6.220 -4.489 1.00 0.00 O ATOM 840 CB LYS A 49 11.105 4.794 -5.309 1.00 0.00 C ATOM 841 CG LYS A 49 11.607 4.977 -6.729 1.00 0.00 C ATOM 842 CD LYS A 49 10.426 5.152 -7.681 1.00 0.00 C ATOM 843 CE LYS A 49 10.855 5.178 -9.137 1.00 0.00 C ATOM 844 NZ LYS A 49 11.402 3.879 -9.570 1.00 0.00 N ATOM 0 H LYS A 49 10.518 4.454 -2.995 1.00 0.00 H new ATOM 0 HA LYS A 49 12.916 3.970 -4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.529 3.870 -5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.419 5.609 -5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.261 5.848 -6.783 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.201 4.113 -7.028 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.716 4.339 -7.529 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.905 6.079 -7.442 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.002 5.440 -9.763 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.606 5.955 -9.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.462 3.856 -10.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.351 3.750 -9.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.779 3.113 -9.242 1.00 0.00 H new ATOM 858 N THR A 50 12.182 7.108 -3.695 1.00 0.00 N ATOM 859 CA THR A 50 12.669 8.469 -3.681 1.00 0.00 C ATOM 860 C THR A 50 13.679 8.715 -2.534 1.00 0.00 C ATOM 861 O THR A 50 14.713 9.350 -2.742 1.00 0.00 O ATOM 862 CB THR A 50 11.483 9.461 -3.592 1.00 0.00 C ATOM 863 OG1 THR A 50 10.499 9.107 -4.595 1.00 0.00 O ATOM 864 CG2 THR A 50 11.945 10.887 -3.850 1.00 0.00 C ATOM 0 H THR A 50 11.240 7.001 -3.319 1.00 0.00 H new ATOM 0 HA THR A 50 13.203 8.637 -4.616 1.00 0.00 H new ATOM 0 HB THR A 50 11.057 9.404 -2.590 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.835 8.502 -4.203 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.093 11.563 -3.782 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.692 11.168 -3.107 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.382 10.953 -4.846 1.00 0.00 H new ATOM 872 N LYS A 51 13.398 8.191 -1.341 1.00 0.00 N ATOM 873 CA LYS A 51 14.278 8.377 -0.207 1.00 0.00 C ATOM 874 C LYS A 51 15.531 7.561 -0.396 1.00 0.00 C ATOM 875 O LYS A 51 16.632 8.064 -0.168 1.00 0.00 O ATOM 876 CB LYS A 51 13.583 7.996 1.106 1.00 0.00 C ATOM 877 CG LYS A 51 12.383 8.864 1.443 1.00 0.00 C ATOM 878 CD LYS A 51 11.712 8.417 2.728 1.00 0.00 C ATOM 879 CE LYS A 51 10.614 9.386 3.144 1.00 0.00 C ATOM 880 NZ LYS A 51 9.891 8.925 4.345 1.00 0.00 N ATOM 0 H LYS A 51 12.566 7.636 -1.143 1.00 0.00 H new ATOM 0 HA LYS A 51 14.542 9.433 -0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.261 6.956 1.047 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.305 8.060 1.920 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.700 9.902 1.540 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.664 8.825 0.624 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.289 7.421 2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.455 8.343 3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.050 10.366 3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.909 9.508 2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.875 9.686 5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.916 8.671 4.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.372 8.093 4.742 1.00 0.00 H new ATOM 894 N LYS A 52 15.337 6.282 -0.827 1.00 0.00 N ATOM 895 CA LYS A 52 16.404 5.276 -1.133 1.00 0.00 C ATOM 896 C LYS A 52 17.550 5.263 -0.128 1.00 0.00 C ATOM 897 O LYS A 52 18.691 4.922 -0.453 1.00 0.00 O ATOM 898 CB LYS A 52 16.941 5.417 -2.566 1.00 0.00 C ATOM 899 CG LYS A 52 17.537 6.768 -2.894 1.00 0.00 C ATOM 900 CD LYS A 52 18.231 6.771 -4.250 1.00 0.00 C ATOM 901 CE LYS A 52 19.506 5.941 -4.254 1.00 0.00 C ATOM 902 NZ LYS A 52 20.505 6.423 -3.271 1.00 0.00 N ATOM 0 H LYS A 52 14.401 5.907 -0.977 1.00 0.00 H new ATOM 0 HA LYS A 52 15.906 4.310 -1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.700 4.652 -2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.128 5.216 -3.264 1.00 0.00 H new ATOM 0 HG2 LYS A 52 16.750 7.523 -2.888 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.252 7.046 -2.120 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.547 6.384 -5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.468 7.797 -4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 52 19.259 4.902 -4.035 1.00 0.00 H new ATOM 0 HE3 LYS A 52 19.945 5.961 -5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 21.432 6.001 -3.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 20.576 7.459 -3.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 20.210 6.148 -2.313 1.00 0.00 H new ATOM 916 N LYS A 53 17.230 5.556 1.082 1.00 0.00 N ATOM 917 CA LYS A 53 18.211 5.668 2.105 1.00 0.00 C ATOM 918 C LYS A 53 18.262 4.431 2.976 1.00 0.00 C ATOM 919 O LYS A 53 19.152 4.283 3.795 1.00 0.00 O ATOM 920 CB LYS A 53 17.943 6.926 2.900 1.00 0.00 C ATOM 921 CG LYS A 53 16.537 6.998 3.514 1.00 0.00 C ATOM 922 CD LYS A 53 16.324 8.298 4.280 1.00 0.00 C ATOM 923 CE LYS A 53 17.267 8.428 5.472 1.00 0.00 C ATOM 924 NZ LYS A 53 17.151 9.748 6.113 1.00 0.00 N ATOM 0 H LYS A 53 16.274 5.726 1.394 1.00 0.00 H new ATOM 0 HA LYS A 53 19.200 5.744 1.652 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.680 7.001 3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 53 18.088 7.790 2.251 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.790 6.914 2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 53 16.389 6.152 4.185 1.00 0.00 H new ATOM 0 HD2 LYS A 53 16.474 9.142 3.607 1.00 0.00 H new ATOM 0 HD3 LYS A 53 15.292 8.347 4.628 1.00 0.00 H new ATOM 0 HE2 LYS A 53 17.044 7.648 6.200 1.00 0.00 H new ATOM 0 HE3 LYS A 53 18.294 8.272 5.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.806 9.801 6.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.388 10.490 5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.177 9.886 6.449 1.00 0.00 H new ATOM 938 N ARG A 54 17.318 3.539 2.786 1.00 0.00 N ATOM 939 CA ARG A 54 17.328 2.300 3.519 1.00 0.00 C ATOM 940 C ARG A 54 18.148 1.283 2.782 1.00 0.00 C ATOM 941 O ARG A 54 18.206 1.312 1.547 1.00 0.00 O ATOM 942 CB ARG A 54 15.928 1.798 3.851 1.00 0.00 C ATOM 943 CG ARG A 54 15.237 2.653 4.897 1.00 0.00 C ATOM 944 CD ARG A 54 13.957 2.015 5.382 1.00 0.00 C ATOM 945 NE ARG A 54 13.369 2.764 6.492 1.00 0.00 N ATOM 946 CZ ARG A 54 12.642 2.224 7.474 1.00 0.00 C ATOM 947 NH1 ARG A 54 12.338 0.924 7.454 1.00 0.00 N ATOM 948 NH2 ARG A 54 12.216 2.985 8.466 1.00 0.00 N ATOM 0 H ARG A 54 16.540 3.649 2.135 1.00 0.00 H new ATOM 0 HA ARG A 54 17.796 2.481 4.486 1.00 0.00 H new ATOM 0 HB2 ARG A 54 15.326 1.784 2.943 1.00 0.00 H new ATOM 0 HB3 ARG A 54 15.989 0.770 4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.909 2.809 5.741 1.00 0.00 H new ATOM 0 HG3 ARG A 54 15.018 3.635 4.478 1.00 0.00 H new ATOM 0 HD2 ARG A 54 13.243 1.961 4.560 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.157 0.991 5.699 1.00 0.00 H new ATOM 0 HE ARG A 54 13.525 3.772 6.518 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.661 0.336 6.685 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.782 0.519 8.207 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.443 3.979 8.479 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.660 2.578 9.219 1.00 0.00 H new ATOM 962 N TYR A 55 18.747 0.374 3.532 1.00 0.00 N ATOM 963 CA TYR A 55 19.754 -0.565 3.033 1.00 0.00 C ATOM 964 C TYR A 55 19.352 -1.381 1.816 1.00 0.00 C ATOM 965 O TYR A 55 20.220 -1.803 1.072 1.00 0.00 O ATOM 966 CB TYR A 55 20.303 -1.450 4.152 1.00 0.00 C ATOM 967 CG TYR A 55 21.127 -0.684 5.165 1.00 0.00 C ATOM 968 CD1 TYR A 55 22.473 -0.434 4.940 1.00 0.00 C ATOM 969 CD2 TYR A 55 20.562 -0.208 6.337 1.00 0.00 C ATOM 970 CE1 TYR A 55 23.229 0.270 5.854 1.00 0.00 C ATOM 971 CE2 TYR A 55 21.310 0.495 7.254 1.00 0.00 C ATOM 972 CZ TYR A 55 22.642 0.733 7.009 1.00 0.00 C ATOM 973 OH TYR A 55 23.389 1.434 7.930 1.00 0.00 O ATOM 0 H TYR A 55 18.547 0.261 4.526 1.00 0.00 H new ATOM 0 HA TYR A 55 20.555 0.076 2.666 1.00 0.00 H new ATOM 0 HB2 TYR A 55 19.472 -1.937 4.662 1.00 0.00 H new ATOM 0 HB3 TYR A 55 20.916 -2.239 3.716 1.00 0.00 H new ATOM 0 HD1 TYR A 55 22.936 -0.797 4.034 1.00 0.00 H new ATOM 0 HD2 TYR A 55 19.516 -0.392 6.535 1.00 0.00 H new ATOM 0 HE1 TYR A 55 24.276 0.457 5.664 1.00 0.00 H new ATOM 0 HE2 TYR A 55 20.853 0.858 8.162 1.00 0.00 H new ATOM 0 HH TYR A 55 22.821 1.688 8.687 1.00 0.00 H new ATOM 983 N SER A 56 18.057 -1.554 1.586 1.00 0.00 N ATOM 984 CA SER A 56 17.564 -2.290 0.413 1.00 0.00 C ATOM 985 C SER A 56 17.987 -1.598 -0.906 1.00 0.00 C ATOM 986 O SER A 56 18.101 -2.237 -1.945 1.00 0.00 O ATOM 987 CB SER A 56 16.038 -2.388 0.474 1.00 0.00 C ATOM 988 OG SER A 56 15.616 -2.970 1.699 1.00 0.00 O ATOM 0 H SER A 56 17.321 -1.196 2.195 1.00 0.00 H new ATOM 0 HA SER A 56 18.003 -3.288 0.429 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.601 -1.395 0.369 1.00 0.00 H new ATOM 0 HB3 SER A 56 15.674 -2.986 -0.362 1.00 0.00 H new ATOM 0 HG SER A 56 16.005 -3.865 1.787 1.00 0.00 H new ATOM 994 N LEU A 57 18.230 -0.298 -0.837 1.00 0.00 N ATOM 995 CA LEU A 57 18.609 0.482 -2.009 1.00 0.00 C ATOM 996 C LEU A 57 20.113 0.700 -2.067 1.00 0.00 C ATOM 997 O LEU A 57 20.628 1.323 -3.008 1.00 0.00 O ATOM 998 CB LEU A 57 17.887 1.850 -2.031 1.00 0.00 C ATOM 999 CG LEU A 57 16.394 1.893 -2.450 1.00 0.00 C ATOM 1000 CD1 LEU A 57 16.211 1.437 -3.881 1.00 0.00 C ATOM 1001 CD2 LEU A 57 15.491 1.114 -1.496 1.00 0.00 C ATOM 0 H LEU A 57 18.171 0.244 0.025 1.00 0.00 H new ATOM 0 HA LEU A 57 18.304 -0.092 -2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 57 17.964 2.281 -1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 57 18.439 2.505 -2.705 1.00 0.00 H new ATOM 0 HG LEU A 57 16.083 2.936 -2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 57 15.154 1.479 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 57 16.776 2.090 -4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 57 16.571 0.413 -3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 57 14.458 1.179 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 57 15.801 0.069 -1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 57 15.569 1.537 -0.495 1.00 0.00 H new ATOM 1013 N LEU A 58 20.821 0.197 -1.083 1.00 0.00 N ATOM 1014 CA LEU A 58 22.252 0.381 -1.015 1.00 0.00 C ATOM 1015 C LEU A 58 22.957 -0.930 -1.237 1.00 0.00 C ATOM 1016 O LEU A 58 23.732 -1.086 -2.181 1.00 0.00 O ATOM 1017 CB LEU A 58 22.709 0.987 0.343 1.00 0.00 C ATOM 1018 CG LEU A 58 22.422 2.481 0.627 1.00 0.00 C ATOM 1019 CD1 LEU A 58 20.942 2.775 0.723 1.00 0.00 C ATOM 1020 CD2 LEU A 58 23.124 2.917 1.901 1.00 0.00 C ATOM 0 H LEU A 58 20.427 -0.346 -0.315 1.00 0.00 H new ATOM 0 HA LEU A 58 22.517 1.087 -1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 58 22.243 0.405 1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 58 23.785 0.836 0.426 1.00 0.00 H new ATOM 0 HG LEU A 58 22.811 3.049 -0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 58 20.794 3.836 0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 58 20.457 2.512 -0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 58 20.506 2.189 1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 58 22.914 3.970 2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 58 22.763 2.319 2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 58 24.199 2.775 1.791 1.00 0.00 H new ATOM 1032 N GLU A 59 22.655 -1.890 -0.399 1.00 0.00 N ATOM 1033 CA GLU A 59 23.338 -3.152 -0.397 1.00 0.00 C ATOM 1034 C GLU A 59 22.304 -4.239 -0.201 1.00 0.00 C ATOM 1035 O GLU A 59 21.115 -4.033 -0.466 1.00 0.00 O ATOM 1036 CB GLU A 59 24.340 -3.185 0.772 1.00 0.00 C ATOM 1037 CG GLU A 59 25.287 -2.005 0.804 1.00 0.00 C ATOM 1038 CD GLU A 59 26.275 -2.066 1.935 1.00 0.00 C ATOM 1039 OE1 GLU A 59 25.907 -1.761 3.088 1.00 0.00 O ATOM 1040 OE2 GLU A 59 27.466 -2.383 1.698 1.00 0.00 O ATOM 0 H GLU A 59 21.921 -1.813 0.306 1.00 0.00 H new ATOM 0 HA GLU A 59 23.875 -3.299 -1.334 1.00 0.00 H new ATOM 0 HB2 GLU A 59 23.787 -3.219 1.711 1.00 0.00 H new ATOM 0 HB3 GLU A 59 24.923 -4.104 0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 59 25.829 -1.957 -0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 59 24.708 -1.085 0.886 1.00 0.00 H new ATOM 1047 N HIS A 60 22.742 -5.376 0.232 1.00 0.00 N ATOM 1048 CA HIS A 60 21.848 -6.447 0.549 1.00 0.00 C ATOM 1049 C HIS A 60 21.752 -6.547 2.048 1.00 0.00 C ATOM 1050 O HIS A 60 22.701 -7.019 2.687 1.00 0.00 O ATOM 1051 CB HIS A 60 22.360 -7.813 0.030 1.00 0.00 C ATOM 1052 CG HIS A 60 22.535 -7.949 -1.454 1.00 0.00 C ATOM 1053 ND1 HIS A 60 23.703 -8.386 -2.048 1.00 0.00 N ATOM 1054 CD2 HIS A 60 21.646 -7.781 -2.460 1.00 0.00 C ATOM 1055 CE1 HIS A 60 23.493 -8.473 -3.359 1.00 0.00 C ATOM 1056 NE2 HIS A 60 22.256 -8.115 -3.671 1.00 0.00 N ATOM 0 H HIS A 60 23.729 -5.591 0.377 1.00 0.00 H new ATOM 0 HA HIS A 60 20.889 -6.232 0.077 1.00 0.00 H new ATOM 0 HB2 HIS A 60 23.319 -8.020 0.506 1.00 0.00 H new ATOM 0 HB3 HIS A 60 21.666 -8.585 0.363 1.00 0.00 H new ATOM 0 HD2 HIS A 60 20.627 -7.442 -2.345 1.00 0.00 H new ATOM 0 HE1 HIS A 60 24.234 -8.794 -4.076 1.00 0.00 H new ATOM 0 HE2 HIS A 60 21.837 -8.089 -4.601 1.00 0.00 H new ATOM 1064 N HIS A 61 20.681 -6.057 2.647 1.00 0.00 N ATOM 1065 CA HIS A 61 20.532 -6.332 4.044 1.00 0.00 C ATOM 1066 C HIS A 61 19.947 -7.715 4.133 1.00 0.00 C ATOM 1067 O HIS A 61 18.780 -7.935 3.804 1.00 0.00 O ATOM 1068 CB HIS A 61 19.774 -5.248 4.894 1.00 0.00 C ATOM 1069 CG HIS A 61 18.290 -5.086 4.714 1.00 0.00 C ATOM 1070 ND1 HIS A 61 17.354 -5.782 5.451 1.00 0.00 N ATOM 1071 CD2 HIS A 61 17.591 -4.243 3.931 1.00 0.00 C ATOM 1072 CE1 HIS A 61 16.150 -5.354 5.107 1.00 0.00 C ATOM 1073 NE2 HIS A 61 16.229 -4.411 4.182 1.00 0.00 N ATOM 0 H HIS A 61 19.947 -5.500 2.211 1.00 0.00 H new ATOM 0 HA HIS A 61 21.510 -6.284 4.523 1.00 0.00 H new ATOM 0 HB2 HIS A 61 19.956 -5.469 5.946 1.00 0.00 H new ATOM 0 HB3 HIS A 61 20.238 -4.284 4.686 1.00 0.00 H new ATOM 0 HD2 HIS A 61 18.016 -3.548 3.222 1.00 0.00 H new ATOM 0 HE1 HIS A 61 15.226 -5.725 5.525 1.00 0.00 H new ATOM 0 HE2 HIS A 61 15.455 -3.911 3.744 1.00 0.00 H new ATOM 1081 N HIS A 62 20.819 -8.649 4.461 1.00 0.00 N ATOM 1082 CA HIS A 62 20.531 -10.072 4.430 1.00 0.00 C ATOM 1083 C HIS A 62 19.262 -10.429 5.161 1.00 0.00 C ATOM 1084 O HIS A 62 19.179 -10.356 6.385 1.00 0.00 O ATOM 1085 CB HIS A 62 21.723 -10.895 4.926 1.00 0.00 C ATOM 1086 CG HIS A 62 22.973 -10.698 4.106 1.00 0.00 C ATOM 1087 ND1 HIS A 62 23.084 -11.039 2.774 1.00 0.00 N ATOM 1088 CD2 HIS A 62 24.167 -10.159 4.449 1.00 0.00 C ATOM 1089 CE1 HIS A 62 24.306 -10.708 2.362 1.00 0.00 C ATOM 1090 NE2 HIS A 62 25.007 -10.166 3.340 1.00 0.00 N ATOM 0 H HIS A 62 21.769 -8.436 4.764 1.00 0.00 H new ATOM 0 HA HIS A 62 20.361 -10.331 3.385 1.00 0.00 H new ATOM 0 HB2 HIS A 62 21.932 -10.629 5.962 1.00 0.00 H new ATOM 0 HB3 HIS A 62 21.454 -11.951 4.916 1.00 0.00 H new ATOM 0 HD2 HIS A 62 24.426 -9.783 5.428 1.00 0.00 H new ATOM 0 HE1 HIS A 62 24.675 -10.863 1.359 1.00 0.00 H new ATOM 0 HE2 HIS A 62 25.966 -9.823 3.293 1.00 0.00 H new ATOM 1098 N HIS A 63 18.282 -10.772 4.387 1.00 0.00 N ATOM 1099 CA HIS A 63 16.974 -11.119 4.844 1.00 0.00 C ATOM 1100 C HIS A 63 16.485 -12.238 3.944 1.00 0.00 C ATOM 1101 O HIS A 63 16.969 -12.370 2.812 1.00 0.00 O ATOM 1102 CB HIS A 63 16.048 -9.877 4.752 1.00 0.00 C ATOM 1103 CG HIS A 63 14.622 -10.117 5.165 1.00 0.00 C ATOM 1104 ND1 HIS A 63 13.582 -10.230 4.274 1.00 0.00 N ATOM 1105 CD2 HIS A 63 14.079 -10.275 6.394 1.00 0.00 C ATOM 1106 CE1 HIS A 63 12.469 -10.449 4.958 1.00 0.00 C ATOM 1107 NE2 HIS A 63 12.709 -10.489 6.257 1.00 0.00 N ATOM 0 H HIS A 63 18.376 -10.820 3.373 1.00 0.00 H new ATOM 0 HA HIS A 63 16.977 -11.446 5.884 1.00 0.00 H new ATOM 0 HB2 HIS A 63 16.463 -9.086 5.376 1.00 0.00 H new ATOM 0 HB3 HIS A 63 16.057 -9.511 3.725 1.00 0.00 H new ATOM 0 HD2 HIS A 63 14.619 -10.241 7.329 1.00 0.00 H new ATOM 0 HE1 HIS A 63 11.494 -10.578 4.513 1.00 0.00 H new ATOM 0 HE2 HIS A 63 12.032 -10.644 7.004 1.00 0.00 H new ATOM 1115 N HIS A 64 15.576 -13.043 4.431 1.00 0.00 N ATOM 1116 CA HIS A 64 15.078 -14.152 3.695 1.00 0.00 C ATOM 1117 C HIS A 64 13.830 -13.730 2.946 1.00 0.00 C ATOM 1118 O HIS A 64 13.944 -13.294 1.787 1.00 0.00 O ATOM 1119 CB HIS A 64 14.773 -15.310 4.645 1.00 0.00 C ATOM 1120 CG HIS A 64 15.953 -15.761 5.466 1.00 0.00 C ATOM 1121 ND1 HIS A 64 16.771 -16.810 5.134 1.00 0.00 N ATOM 1122 CD2 HIS A 64 16.451 -15.260 6.625 1.00 0.00 C ATOM 1123 CE1 HIS A 64 17.715 -16.913 6.068 1.00 0.00 C ATOM 1124 NE2 HIS A 64 17.568 -15.991 7.002 1.00 0.00 N ATOM 1125 OXT HIS A 64 12.727 -13.795 3.513 1.00 0.00 O ATOM 0 H HIS A 64 15.164 -12.937 5.358 1.00 0.00 H new ATOM 0 HA HIS A 64 15.827 -14.487 2.977 1.00 0.00 H new ATOM 0 HB2 HIS A 64 13.969 -15.011 5.318 1.00 0.00 H new ATOM 0 HB3 HIS A 64 14.405 -16.155 4.064 1.00 0.00 H new ATOM 0 HD2 HIS A 64 16.041 -14.422 7.169 1.00 0.00 H new ATOM 0 HE1 HIS A 64 18.500 -17.655 6.062 1.00 0.00 H new ATOM 0 HE2 HIS A 64 18.152 -15.847 7.826 1.00 0.00 H new TER 1133 HIS A 64