USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=21 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 49 LYS NZ :NH3+ -164:sc= 0.13 (180deg=-0.401) USER MOD Set 1.2: A 60 HIS : no HE2:sc= 0.188 K(o=0.32,f=-1.3) USER MOD Set 2.1: A 19 TYR OH : rot 180:sc= 1.06 USER MOD Set 2.2: A 23 LYS NZ :NH3+ 144:sc= 1.29 (180deg=-0.0905) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.07 (180deg=-0.446) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0149 K(o=-0.015,f=-1.8!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -159:sc= -0.197 (180deg=-0.873) USER MOD Single : A 7 ASN : amide:sc= 0.156! X(o=0.16!,f=-0.04) USER MOD Single : A 13 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.18) USER MOD Single : A 14 LYS NZ :NH3+ -163:sc= 1.26 (180deg=1.14) USER MOD Single : A 15 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 15:sc= 1.17 USER MOD Single : A 28 HIS : no HE2:sc= -0.316 K(o=-0.32,f=-2.5) USER MOD Single : A 29 HIS : no HD1:sc=-0.00279 X(o=-0.0028,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0334) USER MOD Single : A 33 SER OG : rot 78:sc= 1.18 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0169 K(o=-0.017,f=-1.1) USER MOD Single : A 43 ASN : amide:sc= 1.16 K(o=1.2,f=-0.0017) USER MOD Single : A 50 THR OG1 : rot 180:sc=0.000618 USER MOD Single : A 51 LYS NZ :NH3+ 158:sc= 1.29 (180deg=0.516) USER MOD Single : A 52 LYS NZ :NH3+ -167:sc=-0.000492 (180deg=-0.164) USER MOD Single : A 53 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0292) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0132 USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.00099) USER MOD Single : A 63 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.0034) USER MOD Single : A 64 HIS : no HD1:sc= -0.0205 X(o=-0.02,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.132 -8.125 2.725 1.00 0.00 N ATOM 2 CA MET A 1 11.117 -7.267 2.133 1.00 0.00 C ATOM 3 C MET A 1 11.223 -7.328 0.620 1.00 0.00 C ATOM 4 O MET A 1 12.277 -7.054 0.059 1.00 0.00 O ATOM 5 CB MET A 1 11.310 -5.815 2.592 1.00 0.00 C ATOM 6 CG MET A 1 10.302 -4.837 1.999 1.00 0.00 C ATOM 7 SD MET A 1 10.647 -3.116 2.420 1.00 0.00 S ATOM 8 CE MET A 1 10.575 -3.167 4.212 1.00 0.00 C ATOM 0 H1 MET A 1 12.060 -8.084 3.762 1.00 0.00 H new ATOM 0 H2 MET A 1 11.987 -9.104 2.407 1.00 0.00 H new ATOM 0 H3 MET A 1 13.075 -7.801 2.430 1.00 0.00 H new ATOM 0 HA MET A 1 10.135 -7.615 2.453 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.242 -5.776 3.679 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.316 -5.491 2.324 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.296 -4.945 0.914 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.304 -5.097 2.350 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.502 -2.152 4.602 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.702 -3.740 4.525 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.477 -3.640 4.599 1.00 0.00 H new ATOM 20 N ASN A 2 10.148 -7.688 -0.039 1.00 0.00 N ATOM 21 CA ASN A 2 10.139 -7.712 -1.493 1.00 0.00 C ATOM 22 C ASN A 2 9.258 -6.589 -1.978 1.00 0.00 C ATOM 23 O ASN A 2 8.127 -6.439 -1.492 1.00 0.00 O ATOM 24 CB ASN A 2 9.612 -9.052 -2.074 1.00 0.00 C ATOM 25 CG ASN A 2 10.446 -10.281 -1.739 1.00 0.00 C ATOM 26 OD1 ASN A 2 11.020 -10.396 -0.669 1.00 0.00 O ATOM 27 ND2 ASN A 2 10.534 -11.197 -2.662 1.00 0.00 N ATOM 0 H ASN A 2 9.270 -7.968 0.399 1.00 0.00 H new ATOM 0 HA ASN A 2 11.168 -7.598 -1.834 1.00 0.00 H new ATOM 0 HB2 ASN A 2 8.597 -9.212 -1.710 1.00 0.00 H new ATOM 0 HB3 ASN A 2 9.551 -8.960 -3.158 1.00 0.00 H new ATOM 0 HD21 ASN A 2 11.093 -12.034 -2.498 1.00 0.00 H new ATOM 0 HD22 ASN A 2 10.044 -11.077 -3.548 1.00 0.00 H new ATOM 34 N VAL A 3 9.733 -5.806 -2.920 1.00 0.00 N ATOM 35 CA VAL A 3 8.942 -4.694 -3.438 1.00 0.00 C ATOM 36 C VAL A 3 7.763 -5.205 -4.261 1.00 0.00 C ATOM 37 O VAL A 3 6.677 -4.618 -4.234 1.00 0.00 O ATOM 38 CB VAL A 3 9.779 -3.641 -4.232 1.00 0.00 C ATOM 39 CG1 VAL A 3 10.797 -2.980 -3.317 1.00 0.00 C ATOM 40 CG2 VAL A 3 10.480 -4.256 -5.437 1.00 0.00 C ATOM 0 H VAL A 3 10.654 -5.910 -3.345 1.00 0.00 H new ATOM 0 HA VAL A 3 8.558 -4.163 -2.567 1.00 0.00 H new ATOM 0 HB VAL A 3 9.084 -2.889 -4.606 1.00 0.00 H new ATOM 0 HG11 VAL A 3 11.374 -2.248 -3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 3 10.280 -2.480 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 3 11.469 -3.737 -2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 3 11.050 -3.487 -5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 3 11.155 -5.043 -5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.737 -4.679 -6.114 1.00 0.00 H new ATOM 50 N THR A 4 7.958 -6.347 -4.921 1.00 0.00 N ATOM 51 CA THR A 4 6.897 -6.969 -5.679 1.00 0.00 C ATOM 52 C THR A 4 5.770 -7.394 -4.722 1.00 0.00 C ATOM 53 O THR A 4 4.596 -7.258 -5.028 1.00 0.00 O ATOM 54 CB THR A 4 7.419 -8.183 -6.535 1.00 0.00 C ATOM 55 OG1 THR A 4 6.374 -8.717 -7.358 1.00 0.00 O ATOM 56 CG2 THR A 4 7.973 -9.296 -5.663 1.00 0.00 C ATOM 0 H THR A 4 8.844 -6.852 -4.940 1.00 0.00 H new ATOM 0 HA THR A 4 6.504 -6.242 -6.390 1.00 0.00 H new ATOM 0 HB THR A 4 8.222 -7.797 -7.163 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.722 -9.469 -7.882 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.322 -10.113 -6.294 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.805 -8.914 -5.071 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.191 -9.660 -4.997 1.00 0.00 H new ATOM 64 N LYS A 5 6.151 -7.834 -3.524 1.00 0.00 N ATOM 65 CA LYS A 5 5.195 -8.236 -2.530 1.00 0.00 C ATOM 66 C LYS A 5 4.556 -7.065 -1.820 1.00 0.00 C ATOM 67 O LYS A 5 3.438 -7.176 -1.316 1.00 0.00 O ATOM 68 CB LYS A 5 5.710 -9.300 -1.579 1.00 0.00 C ATOM 69 CG LYS A 5 5.804 -10.660 -2.234 1.00 0.00 C ATOM 70 CD LYS A 5 6.024 -11.761 -1.219 1.00 0.00 C ATOM 71 CE LYS A 5 5.851 -13.132 -1.865 1.00 0.00 C ATOM 72 NZ LYS A 5 4.516 -13.272 -2.512 1.00 0.00 N ATOM 0 H LYS A 5 7.124 -7.916 -3.230 1.00 0.00 H new ATOM 0 HA LYS A 5 4.394 -8.722 -3.087 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.693 -9.009 -1.210 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.050 -9.361 -0.714 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.889 -10.858 -2.792 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.623 -10.661 -2.954 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.025 -11.677 -0.795 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.318 -11.650 -0.396 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.633 -13.285 -2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.972 -13.908 -1.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.287 -14.281 -2.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.794 -12.815 -1.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.534 -12.818 -3.447 1.00 0.00 H new ATOM 86 N LEU A 6 5.264 -5.961 -1.748 1.00 0.00 N ATOM 87 CA LEU A 6 4.701 -4.754 -1.184 1.00 0.00 C ATOM 88 C LEU A 6 3.576 -4.271 -2.105 1.00 0.00 C ATOM 89 O LEU A 6 2.468 -3.958 -1.653 1.00 0.00 O ATOM 90 CB LEU A 6 5.776 -3.672 -1.043 1.00 0.00 C ATOM 91 CG LEU A 6 5.352 -2.379 -0.333 1.00 0.00 C ATOM 92 CD1 LEU A 6 4.906 -2.664 1.096 1.00 0.00 C ATOM 93 CD2 LEU A 6 6.492 -1.376 -0.340 1.00 0.00 C ATOM 0 H LEU A 6 6.227 -5.873 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 6 4.306 -4.961 -0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.621 -4.098 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.134 -3.413 -2.040 1.00 0.00 H new ATOM 0 HG LEU A 6 4.507 -1.954 -0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.611 -1.732 1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.059 -3.350 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.729 -3.114 1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.177 -0.464 0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.353 -1.800 0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.766 -1.143 -1.369 1.00 0.00 H new ATOM 105 N ASN A 7 3.860 -4.267 -3.405 1.00 0.00 N ATOM 106 CA ASN A 7 2.879 -3.884 -4.408 1.00 0.00 C ATOM 107 C ASN A 7 1.758 -4.938 -4.438 1.00 0.00 C ATOM 108 O ASN A 7 0.608 -4.626 -4.708 1.00 0.00 O ATOM 109 CB ASN A 7 3.538 -3.752 -5.803 1.00 0.00 C ATOM 110 CG ASN A 7 2.707 -2.971 -6.856 1.00 0.00 C ATOM 111 OD1 ASN A 7 3.274 -2.363 -7.776 1.00 0.00 O ATOM 112 ND2 ASN A 7 1.398 -2.951 -6.744 1.00 0.00 N ATOM 0 H ASN A 7 4.769 -4.527 -3.787 1.00 0.00 H new ATOM 0 HA ASN A 7 2.460 -2.912 -4.148 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.503 -3.258 -5.686 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.737 -4.752 -6.189 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.836 -2.431 -7.418 1.00 0.00 H new ATOM 0 HD22 ASN A 7 0.944 -3.455 -5.983 1.00 0.00 H new ATOM 119 N ASP A 8 2.119 -6.180 -4.155 1.00 0.00 N ATOM 120 CA ASP A 8 1.165 -7.306 -4.053 1.00 0.00 C ATOM 121 C ASP A 8 0.114 -7.023 -2.982 1.00 0.00 C ATOM 122 O ASP A 8 -1.062 -7.329 -3.156 1.00 0.00 O ATOM 123 CB ASP A 8 1.920 -8.591 -3.710 1.00 0.00 C ATOM 124 CG ASP A 8 1.051 -9.817 -3.617 1.00 0.00 C ATOM 125 OD1 ASP A 8 0.528 -10.124 -2.524 1.00 0.00 O ATOM 126 OD2 ASP A 8 0.924 -10.537 -4.621 1.00 0.00 O ATOM 0 H ASP A 8 3.088 -6.451 -3.986 1.00 0.00 H new ATOM 0 HA ASP A 8 0.661 -7.425 -5.012 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.687 -8.760 -4.466 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.435 -8.453 -2.759 1.00 0.00 H new ATOM 131 N ARG A 9 0.548 -6.399 -1.885 1.00 0.00 N ATOM 132 CA ARG A 9 -0.361 -6.019 -0.800 1.00 0.00 C ATOM 133 C ARG A 9 -1.326 -4.970 -1.290 1.00 0.00 C ATOM 134 O ARG A 9 -2.492 -4.972 -0.926 1.00 0.00 O ATOM 135 CB ARG A 9 0.397 -5.475 0.403 1.00 0.00 C ATOM 136 CG ARG A 9 1.351 -6.458 1.023 1.00 0.00 C ATOM 137 CD ARG A 9 2.061 -5.853 2.206 1.00 0.00 C ATOM 138 NE ARG A 9 3.032 -6.775 2.783 1.00 0.00 N ATOM 139 CZ ARG A 9 3.662 -6.592 3.942 1.00 0.00 C ATOM 140 NH1 ARG A 9 3.379 -5.531 4.693 1.00 0.00 N ATOM 141 NH2 ARG A 9 4.549 -7.473 4.355 1.00 0.00 N ATOM 0 H ARG A 9 1.523 -6.146 -1.724 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.900 -6.914 -0.490 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.953 -4.588 0.098 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.322 -5.157 1.158 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.807 -7.348 1.338 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.082 -6.777 0.281 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.567 -4.938 1.898 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.330 -5.573 2.965 1.00 0.00 H new ATOM 0 HE ARG A 9 3.245 -7.624 2.260 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.679 -4.857 4.381 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.862 -5.391 5.581 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.754 -8.295 3.787 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.032 -7.333 5.243 1.00 0.00 H new ATOM 155 N ILE A 10 -0.817 -4.076 -2.127 1.00 0.00 N ATOM 156 CA ILE A 10 -1.626 -3.045 -2.755 1.00 0.00 C ATOM 157 C ILE A 10 -2.712 -3.715 -3.591 1.00 0.00 C ATOM 158 O ILE A 10 -3.882 -3.373 -3.492 1.00 0.00 O ATOM 159 CB ILE A 10 -0.772 -2.145 -3.690 1.00 0.00 C ATOM 160 CG1 ILE A 10 0.353 -1.474 -2.913 1.00 0.00 C ATOM 161 CG2 ILE A 10 -1.641 -1.109 -4.372 1.00 0.00 C ATOM 162 CD1 ILE A 10 1.268 -0.615 -3.763 1.00 0.00 C ATOM 0 H ILE A 10 0.168 -4.047 -2.388 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.057 -2.423 -1.971 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.326 -2.777 -4.457 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.081 -0.856 -2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.949 -2.243 -2.421 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.025 -0.488 -5.023 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.406 -1.610 -4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.119 -0.482 -3.619 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.041 -0.174 -3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.734 -1.231 -4.533 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.688 0.178 -4.235 1.00 0.00 H new ATOM 174 N GLU A 11 -2.300 -4.698 -4.376 1.00 0.00 N ATOM 175 CA GLU A 11 -3.195 -5.452 -5.245 1.00 0.00 C ATOM 176 C GLU A 11 -4.304 -6.124 -4.442 1.00 0.00 C ATOM 177 O GLU A 11 -5.485 -6.028 -4.788 1.00 0.00 O ATOM 178 CB GLU A 11 -2.404 -6.489 -6.036 1.00 0.00 C ATOM 179 CG GLU A 11 -1.321 -5.890 -6.915 1.00 0.00 C ATOM 180 CD GLU A 11 -1.871 -4.894 -7.899 1.00 0.00 C ATOM 181 OE1 GLU A 11 -2.529 -5.310 -8.858 1.00 0.00 O ATOM 182 OE2 GLU A 11 -1.633 -3.668 -7.752 1.00 0.00 O ATOM 0 H GLU A 11 -1.327 -4.999 -4.430 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.663 -4.756 -5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.947 -7.193 -5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.092 -7.059 -6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.575 -5.403 -6.287 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.812 -6.688 -7.455 1.00 0.00 H new ATOM 189 N ALA A 12 -3.923 -6.750 -3.346 1.00 0.00 N ATOM 190 CA ALA A 12 -4.868 -7.417 -2.470 1.00 0.00 C ATOM 191 C ALA A 12 -5.784 -6.404 -1.779 1.00 0.00 C ATOM 192 O ALA A 12 -6.956 -6.694 -1.501 1.00 0.00 O ATOM 193 CB ALA A 12 -4.130 -8.261 -1.441 1.00 0.00 C ATOM 0 H ALA A 12 -2.953 -6.811 -3.038 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.491 -8.074 -3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.852 -8.755 -0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.527 -9.012 -1.951 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.482 -7.621 -0.843 1.00 0.00 H new ATOM 199 N LYS A 13 -5.270 -5.209 -1.540 1.00 0.00 N ATOM 200 CA LYS A 13 -6.027 -4.173 -0.867 1.00 0.00 C ATOM 201 C LYS A 13 -7.029 -3.563 -1.834 1.00 0.00 C ATOM 202 O LYS A 13 -8.135 -3.211 -1.442 1.00 0.00 O ATOM 203 CB LYS A 13 -5.088 -3.118 -0.240 1.00 0.00 C ATOM 204 CG LYS A 13 -5.773 -2.005 0.563 1.00 0.00 C ATOM 205 CD LYS A 13 -6.724 -2.563 1.614 1.00 0.00 C ATOM 206 CE LYS A 13 -7.236 -1.476 2.550 1.00 0.00 C ATOM 207 NZ LYS A 13 -6.214 -1.077 3.547 1.00 0.00 N ATOM 0 H LYS A 13 -4.324 -4.934 -1.805 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.587 -4.612 -0.041 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.383 -3.630 0.414 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.506 -2.658 -1.038 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.016 -1.390 1.049 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.324 -1.355 -0.116 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.568 -3.045 1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.213 -3.331 2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.533 -0.605 1.966 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.127 -1.832 3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.571 -0.278 4.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.011 -1.880 4.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.342 -0.793 3.056 1.00 0.00 H new ATOM 221 N LYS A 14 -6.640 -3.481 -3.097 1.00 0.00 N ATOM 222 CA LYS A 14 -7.527 -3.044 -4.168 1.00 0.00 C ATOM 223 C LYS A 14 -8.723 -3.972 -4.249 1.00 0.00 C ATOM 224 O LYS A 14 -9.856 -3.529 -4.243 1.00 0.00 O ATOM 225 CB LYS A 14 -6.795 -3.057 -5.507 1.00 0.00 C ATOM 226 CG LYS A 14 -5.738 -1.986 -5.667 1.00 0.00 C ATOM 227 CD LYS A 14 -4.924 -2.241 -6.912 1.00 0.00 C ATOM 228 CE LYS A 14 -3.971 -1.102 -7.219 1.00 0.00 C ATOM 229 NZ LYS A 14 -3.087 -1.430 -8.350 1.00 0.00 N ATOM 0 H LYS A 14 -5.698 -3.716 -3.411 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.857 -2.028 -3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.326 -4.032 -5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.528 -2.946 -6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.210 -1.005 -5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.086 -1.974 -4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.357 -3.164 -6.790 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.595 -2.389 -7.758 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.540 -0.202 -7.450 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.369 -0.882 -6.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.275 -0.780 -8.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.747 -2.408 -8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.614 -1.334 -9.242 1.00 0.00 H new ATOM 243 N LYS A 15 -8.453 -5.268 -4.271 1.00 0.00 N ATOM 244 CA LYS A 15 -9.504 -6.286 -4.358 1.00 0.00 C ATOM 245 C LYS A 15 -10.385 -6.280 -3.118 1.00 0.00 C ATOM 246 O LYS A 15 -11.595 -6.512 -3.200 1.00 0.00 O ATOM 247 CB LYS A 15 -8.892 -7.668 -4.565 1.00 0.00 C ATOM 248 CG LYS A 15 -8.039 -7.778 -5.816 1.00 0.00 C ATOM 249 CD LYS A 15 -8.845 -7.491 -7.075 1.00 0.00 C ATOM 250 CE LYS A 15 -7.983 -7.541 -8.320 1.00 0.00 C ATOM 251 NZ LYS A 15 -8.762 -7.257 -9.551 1.00 0.00 N ATOM 0 H LYS A 15 -7.507 -5.648 -4.230 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.130 -6.045 -5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.282 -7.919 -3.697 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.693 -8.406 -4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.205 -7.079 -5.750 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.612 -8.779 -5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.653 -8.218 -7.163 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.309 -6.508 -6.993 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.173 -6.817 -8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.522 -8.526 -8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.133 -7.302 -10.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.519 -7.963 -9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.181 -6.307 -9.486 1.00 0.00 H new ATOM 265 N GLU A 16 -9.785 -5.953 -1.989 1.00 0.00 N ATOM 266 CA GLU A 16 -10.496 -5.911 -0.723 1.00 0.00 C ATOM 267 C GLU A 16 -11.443 -4.728 -0.775 1.00 0.00 C ATOM 268 O GLU A 16 -12.619 -4.832 -0.445 1.00 0.00 O ATOM 269 CB GLU A 16 -9.499 -5.777 0.446 1.00 0.00 C ATOM 270 CG GLU A 16 -10.119 -5.935 1.828 1.00 0.00 C ATOM 271 CD GLU A 16 -9.098 -5.847 2.946 1.00 0.00 C ATOM 272 OE1 GLU A 16 -8.234 -6.747 3.057 1.00 0.00 O ATOM 273 OE2 GLU A 16 -9.160 -4.897 3.762 1.00 0.00 O ATOM 0 H GLU A 16 -8.797 -5.710 -1.922 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.057 -6.831 -0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.715 -6.525 0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.019 -4.800 0.387 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.875 -5.163 1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.630 -6.896 1.884 1.00 0.00 H new ATOM 280 N LEU A 17 -10.920 -3.630 -1.279 1.00 0.00 N ATOM 281 CA LEU A 17 -11.667 -2.418 -1.488 1.00 0.00 C ATOM 282 C LEU A 17 -12.810 -2.603 -2.465 1.00 0.00 C ATOM 283 O LEU A 17 -13.889 -2.092 -2.235 1.00 0.00 O ATOM 284 CB LEU A 17 -10.746 -1.301 -1.931 1.00 0.00 C ATOM 285 CG LEU A 17 -10.170 -0.433 -0.819 1.00 0.00 C ATOM 286 CD1 LEU A 17 -9.140 0.527 -1.380 1.00 0.00 C ATOM 287 CD2 LEU A 17 -11.294 0.344 -0.135 1.00 0.00 C ATOM 0 H LEU A 17 -9.942 -3.559 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.116 -2.145 -0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.919 -1.738 -2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.292 -0.658 -2.621 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.682 -1.076 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.737 1.140 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.332 -0.037 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.609 1.169 -2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.877 0.963 0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.794 0.979 -0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.014 -0.356 0.290 1.00 0.00 H new ATOM 299 N ILE A 18 -12.570 -3.341 -3.541 1.00 0.00 N ATOM 300 CA ILE A 18 -13.610 -3.643 -4.527 1.00 0.00 C ATOM 301 C ILE A 18 -14.795 -4.331 -3.844 1.00 0.00 C ATOM 302 O ILE A 18 -15.957 -3.968 -4.077 1.00 0.00 O ATOM 303 CB ILE A 18 -13.056 -4.529 -5.684 1.00 0.00 C ATOM 304 CG1 ILE A 18 -11.969 -3.768 -6.449 1.00 0.00 C ATOM 305 CG2 ILE A 18 -14.167 -4.964 -6.636 1.00 0.00 C ATOM 306 CD1 ILE A 18 -11.316 -4.567 -7.549 1.00 0.00 C ATOM 0 H ILE A 18 -11.659 -3.746 -3.758 1.00 0.00 H new ATOM 0 HA ILE A 18 -13.948 -2.703 -4.964 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.625 -5.429 -5.245 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.406 -2.867 -6.879 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.202 -3.445 -5.745 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -13.745 -5.580 -7.430 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -14.912 -5.540 -6.087 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.638 -4.083 -7.072 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.559 -3.957 -8.041 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.847 -5.455 -7.125 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.070 -4.867 -8.277 1.00 0.00 H new ATOM 318 N TYR A 19 -14.488 -5.270 -2.965 1.00 0.00 N ATOM 319 CA TYR A 19 -15.497 -5.972 -2.193 1.00 0.00 C ATOM 320 C TYR A 19 -16.223 -5.007 -1.243 1.00 0.00 C ATOM 321 O TYR A 19 -17.447 -5.079 -1.064 1.00 0.00 O ATOM 322 CB TYR A 19 -14.858 -7.129 -1.410 1.00 0.00 C ATOM 323 CG TYR A 19 -15.819 -7.839 -0.486 1.00 0.00 C ATOM 324 CD1 TYR A 19 -16.812 -8.663 -0.991 1.00 0.00 C ATOM 325 CD2 TYR A 19 -15.737 -7.677 0.891 1.00 0.00 C ATOM 326 CE1 TYR A 19 -17.696 -9.302 -0.156 1.00 0.00 C ATOM 327 CE2 TYR A 19 -16.618 -8.317 1.734 1.00 0.00 C ATOM 328 CZ TYR A 19 -17.595 -9.127 1.204 1.00 0.00 C ATOM 329 OH TYR A 19 -18.485 -9.758 2.036 1.00 0.00 O ATOM 0 H TYR A 19 -13.532 -5.566 -2.767 1.00 0.00 H new ATOM 0 HA TYR A 19 -16.234 -6.386 -2.881 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.446 -7.850 -2.116 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -14.023 -6.743 -0.825 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -16.892 -8.805 -2.059 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -14.971 -7.040 1.307 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -18.466 -9.939 -0.566 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -16.542 -8.184 2.803 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.278 -9.533 2.967 1.00 0.00 H new ATOM 339 N LEU A 20 -15.474 -4.107 -0.655 1.00 0.00 N ATOM 340 CA LEU A 20 -16.027 -3.113 0.248 1.00 0.00 C ATOM 341 C LEU A 20 -16.948 -2.153 -0.500 1.00 0.00 C ATOM 342 O LEU A 20 -17.990 -1.767 0.011 1.00 0.00 O ATOM 343 CB LEU A 20 -14.906 -2.374 0.969 1.00 0.00 C ATOM 344 CG LEU A 20 -13.981 -3.268 1.800 1.00 0.00 C ATOM 345 CD1 LEU A 20 -12.847 -2.480 2.379 1.00 0.00 C ATOM 346 CD2 LEU A 20 -14.748 -3.981 2.899 1.00 0.00 C ATOM 0 H LEU A 20 -14.465 -4.038 -0.785 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.631 -3.619 1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.307 -1.841 0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.347 -1.622 1.624 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.567 -4.022 1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.207 -3.140 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.266 -2.032 1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.242 -1.694 3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.065 -4.608 3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.205 -3.245 3.560 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.526 -4.603 2.455 1.00 0.00 H new ATOM 358 N VAL A 21 -16.568 -1.792 -1.709 1.00 0.00 N ATOM 359 CA VAL A 21 -17.420 -0.985 -2.584 1.00 0.00 C ATOM 360 C VAL A 21 -18.720 -1.763 -2.930 1.00 0.00 C ATOM 361 O VAL A 21 -19.784 -1.173 -3.140 1.00 0.00 O ATOM 362 CB VAL A 21 -16.679 -0.512 -3.880 1.00 0.00 C ATOM 363 CG1 VAL A 21 -17.594 0.323 -4.771 1.00 0.00 C ATOM 364 CG2 VAL A 21 -15.447 0.304 -3.522 1.00 0.00 C ATOM 0 H VAL A 21 -15.668 -2.043 -2.118 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.684 -0.080 -2.038 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.379 -1.405 -4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -17.049 0.635 -5.662 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -18.458 -0.273 -5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -17.930 1.204 -4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -14.945 0.624 -4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.745 1.180 -2.946 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.766 -0.306 -2.928 1.00 0.00 H new ATOM 374 N GLU A 22 -18.623 -3.074 -3.016 1.00 0.00 N ATOM 375 CA GLU A 22 -19.805 -3.902 -3.236 1.00 0.00 C ATOM 376 C GLU A 22 -20.731 -3.874 -2.012 1.00 0.00 C ATOM 377 O GLU A 22 -21.914 -3.558 -2.123 1.00 0.00 O ATOM 378 CB GLU A 22 -19.422 -5.354 -3.564 1.00 0.00 C ATOM 379 CG GLU A 22 -18.665 -5.526 -4.865 1.00 0.00 C ATOM 380 CD GLU A 22 -19.461 -5.062 -6.055 1.00 0.00 C ATOM 381 OE1 GLU A 22 -20.241 -5.856 -6.602 1.00 0.00 O ATOM 382 OE2 GLU A 22 -19.324 -3.891 -6.456 1.00 0.00 O ATOM 0 H GLU A 22 -17.748 -3.592 -2.938 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.336 -3.484 -4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.814 -5.749 -2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.330 -5.956 -3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.730 -4.967 -4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.402 -6.576 -4.994 1.00 0.00 H new ATOM 389 N LYS A 23 -20.183 -4.159 -0.846 1.00 0.00 N ATOM 390 CA LYS A 23 -20.993 -4.239 0.367 1.00 0.00 C ATOM 391 C LYS A 23 -21.373 -2.880 0.956 1.00 0.00 C ATOM 392 O LYS A 23 -22.530 -2.651 1.284 1.00 0.00 O ATOM 393 CB LYS A 23 -20.348 -5.135 1.435 1.00 0.00 C ATOM 394 CG LYS A 23 -20.276 -6.618 1.068 1.00 0.00 C ATOM 395 CD LYS A 23 -21.668 -7.195 0.822 1.00 0.00 C ATOM 396 CE LYS A 23 -21.644 -8.697 0.562 1.00 0.00 C ATOM 397 NZ LYS A 23 -21.207 -9.470 1.741 1.00 0.00 N ATOM 0 H LYS A 23 -19.189 -4.339 -0.707 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.926 -4.702 0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.338 -4.774 1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -20.909 -5.032 2.364 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -19.664 -6.745 0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -19.787 -7.170 1.870 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -22.300 -6.990 1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -22.121 -6.690 -0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -22.640 -9.027 0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -20.976 -8.907 -0.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.735 -10.365 1.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -20.190 -9.672 1.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -21.388 -8.919 2.604 1.00 0.00 H new ATOM 411 N TYR A 24 -20.428 -1.995 1.086 1.00 0.00 N ATOM 412 CA TYR A 24 -20.688 -0.710 1.717 1.00 0.00 C ATOM 413 C TYR A 24 -20.866 0.372 0.670 1.00 0.00 C ATOM 414 O TYR A 24 -21.757 1.213 0.774 1.00 0.00 O ATOM 415 CB TYR A 24 -19.551 -0.347 2.685 1.00 0.00 C ATOM 416 CG TYR A 24 -19.279 -1.425 3.714 1.00 0.00 C ATOM 417 CD1 TYR A 24 -20.082 -1.564 4.841 1.00 0.00 C ATOM 418 CD2 TYR A 24 -18.226 -2.317 3.546 1.00 0.00 C ATOM 419 CE1 TYR A 24 -19.843 -2.566 5.769 1.00 0.00 C ATOM 420 CE2 TYR A 24 -17.979 -3.312 4.468 1.00 0.00 C ATOM 421 CZ TYR A 24 -18.790 -3.437 5.574 1.00 0.00 C ATOM 422 OH TYR A 24 -18.548 -4.446 6.485 1.00 0.00 O ATOM 0 H TYR A 24 -19.468 -2.128 0.768 1.00 0.00 H new ATOM 0 HA TYR A 24 -21.613 -0.787 2.288 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -18.641 -0.161 2.114 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -19.801 0.582 3.198 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -20.904 -0.881 4.996 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -17.590 -2.229 2.678 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -20.476 -2.664 6.638 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -17.152 -3.991 4.323 1.00 0.00 H new ATOM 0 HH TYR A 24 -17.771 -4.968 6.196 1.00 0.00 H new ATOM 432 N GLY A 25 -20.052 0.325 -0.344 1.00 0.00 N ATOM 433 CA GLY A 25 -20.121 1.311 -1.393 1.00 0.00 C ATOM 434 C GLY A 25 -18.971 2.264 -1.315 1.00 0.00 C ATOM 435 O GLY A 25 -17.880 1.881 -0.902 1.00 0.00 O ATOM 0 H GLY A 25 -19.330 -0.385 -0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.120 0.814 -2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.059 1.861 -1.317 1.00 0.00 H new ATOM 439 N PHE A 26 -19.202 3.488 -1.702 1.00 0.00 N ATOM 440 CA PHE A 26 -18.199 4.514 -1.629 1.00 0.00 C ATOM 441 C PHE A 26 -18.751 5.682 -0.821 1.00 0.00 C ATOM 442 O PHE A 26 -19.905 5.623 -0.391 1.00 0.00 O ATOM 443 CB PHE A 26 -17.679 4.921 -3.034 1.00 0.00 C ATOM 444 CG PHE A 26 -18.723 5.370 -4.033 1.00 0.00 C ATOM 445 CD1 PHE A 26 -19.423 4.443 -4.795 1.00 0.00 C ATOM 446 CD2 PHE A 26 -18.985 6.714 -4.224 1.00 0.00 C ATOM 447 CE1 PHE A 26 -20.364 4.852 -5.717 1.00 0.00 C ATOM 448 CE2 PHE A 26 -19.920 7.130 -5.148 1.00 0.00 C ATOM 449 CZ PHE A 26 -20.611 6.199 -5.895 1.00 0.00 C ATOM 0 H PHE A 26 -20.096 3.803 -2.079 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.318 4.132 -1.112 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.955 5.727 -2.910 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.142 4.073 -3.459 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -19.228 3.389 -4.664 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -18.450 7.449 -3.641 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -20.906 4.121 -6.298 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -20.111 8.184 -5.287 1.00 0.00 H new ATOM 0 HZ PHE A 26 -21.345 6.523 -6.618 1.00 0.00 H new ATOM 459 N THR A 27 -17.941 6.725 -0.593 1.00 0.00 N ATOM 460 CA THR A 27 -18.268 7.879 0.281 1.00 0.00 C ATOM 461 C THR A 27 -18.611 7.426 1.715 1.00 0.00 C ATOM 462 O THR A 27 -19.203 8.159 2.509 1.00 0.00 O ATOM 463 CB THR A 27 -19.374 8.823 -0.300 1.00 0.00 C ATOM 464 OG1 THR A 27 -20.579 8.110 -0.643 1.00 0.00 O ATOM 465 CG2 THR A 27 -18.866 9.590 -1.510 1.00 0.00 C ATOM 0 H THR A 27 -17.016 6.799 -1.017 1.00 0.00 H new ATOM 0 HA THR A 27 -17.359 8.480 0.320 1.00 0.00 H new ATOM 0 HB THR A 27 -19.618 9.531 0.492 1.00 0.00 H new ATOM 0 HG1 THR A 27 -20.563 7.222 -0.229 1.00 0.00 H new ATOM 0 HG21 THR A 27 -19.657 10.236 -1.890 1.00 0.00 H new ATOM 0 HG22 THR A 27 -18.008 10.198 -1.222 1.00 0.00 H new ATOM 0 HG23 THR A 27 -18.567 8.887 -2.287 1.00 0.00 H new ATOM 473 N HIS A 28 -18.164 6.239 2.034 1.00 0.00 N ATOM 474 CA HIS A 28 -18.407 5.615 3.296 1.00 0.00 C ATOM 475 C HIS A 28 -17.118 5.697 4.102 1.00 0.00 C ATOM 476 O HIS A 28 -16.056 5.367 3.582 1.00 0.00 O ATOM 477 CB HIS A 28 -18.842 4.155 3.042 1.00 0.00 C ATOM 478 CG HIS A 28 -19.177 3.353 4.261 1.00 0.00 C ATOM 479 ND1 HIS A 28 -20.447 3.183 4.748 1.00 0.00 N ATOM 480 CD2 HIS A 28 -18.375 2.647 5.070 1.00 0.00 C ATOM 481 CE1 HIS A 28 -20.379 2.395 5.815 1.00 0.00 C ATOM 482 NE2 HIS A 28 -19.132 2.040 6.055 1.00 0.00 N ATOM 0 H HIS A 28 -17.605 5.668 1.400 1.00 0.00 H new ATOM 0 HA HIS A 28 -19.202 6.107 3.857 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -19.712 4.164 2.386 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -18.042 3.646 2.504 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -21.297 3.591 4.359 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -17.303 2.565 4.968 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -21.229 2.087 6.406 1.00 0.00 H new ATOM 490 N HIS A 29 -17.229 6.115 5.354 1.00 0.00 N ATOM 491 CA HIS A 29 -16.070 6.383 6.248 1.00 0.00 C ATOM 492 C HIS A 29 -15.050 5.249 6.302 1.00 0.00 C ATOM 493 O HIS A 29 -13.837 5.491 6.202 1.00 0.00 O ATOM 494 CB HIS A 29 -16.533 6.740 7.664 1.00 0.00 C ATOM 495 CG HIS A 29 -17.147 8.109 7.804 1.00 0.00 C ATOM 496 ND1 HIS A 29 -16.885 8.953 8.856 1.00 0.00 N ATOM 497 CD2 HIS A 29 -18.045 8.763 7.023 1.00 0.00 C ATOM 498 CE1 HIS A 29 -17.606 10.058 8.697 1.00 0.00 C ATOM 499 NE2 HIS A 29 -18.331 9.996 7.593 1.00 0.00 N ATOM 0 H HIS A 29 -18.130 6.285 5.800 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.559 7.237 5.804 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -17.260 5.997 7.991 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -15.679 6.670 8.338 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.469 8.384 6.105 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -17.600 10.895 9.379 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -18.968 10.707 7.234 1.00 0.00 H new ATOM 507 N LYS A 30 -15.528 4.024 6.436 1.00 0.00 N ATOM 508 CA LYS A 30 -14.640 2.863 6.499 1.00 0.00 C ATOM 509 C LYS A 30 -13.873 2.745 5.188 1.00 0.00 C ATOM 510 O LYS A 30 -12.643 2.688 5.180 1.00 0.00 O ATOM 511 CB LYS A 30 -15.436 1.570 6.764 1.00 0.00 C ATOM 512 CG LYS A 30 -16.375 1.666 7.955 1.00 0.00 C ATOM 513 CD LYS A 30 -17.184 0.391 8.158 1.00 0.00 C ATOM 514 CE LYS A 30 -18.293 0.598 9.196 1.00 0.00 C ATOM 515 NZ LYS A 30 -17.779 1.036 10.513 1.00 0.00 N ATOM 0 H LYS A 30 -16.521 3.802 6.504 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.941 3.001 7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -16.015 1.321 5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.737 0.750 6.929 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.796 1.874 8.855 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -17.055 2.506 7.812 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.623 0.081 7.210 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.524 -0.414 8.482 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -18.998 1.340 8.823 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.846 -0.333 9.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.563 1.077 11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.063 0.360 10.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.349 1.979 10.422 1.00 0.00 H new ATOM 529 N VAL A 31 -14.614 2.810 4.088 1.00 0.00 N ATOM 530 CA VAL A 31 -14.058 2.690 2.744 1.00 0.00 C ATOM 531 C VAL A 31 -13.044 3.805 2.473 1.00 0.00 C ATOM 532 O VAL A 31 -11.952 3.540 1.984 1.00 0.00 O ATOM 533 CB VAL A 31 -15.182 2.690 1.664 1.00 0.00 C ATOM 534 CG1 VAL A 31 -14.603 2.544 0.258 1.00 0.00 C ATOM 535 CG2 VAL A 31 -16.179 1.571 1.941 1.00 0.00 C ATOM 0 H VAL A 31 -15.624 2.948 4.103 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.539 1.733 2.684 1.00 0.00 H new ATOM 0 HB VAL A 31 -15.697 3.649 1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.413 2.548 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -13.928 3.375 0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -14.054 1.605 0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.959 1.582 1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -15.664 0.611 1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.628 1.719 2.923 1.00 0.00 H new ATOM 545 N ILE A 32 -13.395 5.036 2.851 1.00 0.00 N ATOM 546 CA ILE A 32 -12.509 6.199 2.704 1.00 0.00 C ATOM 547 C ILE A 32 -11.190 5.958 3.451 1.00 0.00 C ATOM 548 O ILE A 32 -10.101 6.196 2.917 1.00 0.00 O ATOM 549 CB ILE A 32 -13.182 7.504 3.246 1.00 0.00 C ATOM 550 CG1 ILE A 32 -14.447 7.841 2.434 1.00 0.00 C ATOM 551 CG2 ILE A 32 -12.203 8.680 3.222 1.00 0.00 C ATOM 552 CD1 ILE A 32 -15.229 9.032 2.965 1.00 0.00 C ATOM 0 H ILE A 32 -14.299 5.257 3.267 1.00 0.00 H new ATOM 0 HA ILE A 32 -12.311 6.330 1.640 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.471 7.325 4.282 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.160 8.040 1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.100 6.968 2.421 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.698 9.573 3.604 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.340 8.448 3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -11.873 8.858 2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -16.104 9.202 2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.550 8.830 3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.595 9.919 2.952 1.00 0.00 H new ATOM 564 N SER A 33 -11.300 5.444 4.658 1.00 0.00 N ATOM 565 CA SER A 33 -10.145 5.167 5.480 1.00 0.00 C ATOM 566 C SER A 33 -9.252 4.079 4.852 1.00 0.00 C ATOM 567 O SER A 33 -8.022 4.193 4.866 1.00 0.00 O ATOM 568 CB SER A 33 -10.596 4.799 6.891 1.00 0.00 C ATOM 569 OG SER A 33 -11.389 5.854 7.440 1.00 0.00 O ATOM 0 H SER A 33 -12.191 5.208 5.094 1.00 0.00 H new ATOM 0 HA SER A 33 -9.531 6.066 5.542 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.172 3.874 6.868 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.727 4.618 7.524 1.00 0.00 H new ATOM 0 HG SER A 33 -12.291 5.817 7.060 1.00 0.00 H new ATOM 575 N PHE A 34 -9.867 3.059 4.261 1.00 0.00 N ATOM 576 CA PHE A 34 -9.109 2.006 3.590 1.00 0.00 C ATOM 577 C PHE A 34 -8.482 2.533 2.300 1.00 0.00 C ATOM 578 O PHE A 34 -7.367 2.144 1.929 1.00 0.00 O ATOM 579 CB PHE A 34 -9.987 0.799 3.250 1.00 0.00 C ATOM 580 CG PHE A 34 -10.557 0.047 4.414 1.00 0.00 C ATOM 581 CD1 PHE A 34 -9.740 -0.487 5.387 1.00 0.00 C ATOM 582 CD2 PHE A 34 -11.914 -0.144 4.514 1.00 0.00 C ATOM 583 CE1 PHE A 34 -10.273 -1.192 6.442 1.00 0.00 C ATOM 584 CE2 PHE A 34 -12.458 -0.851 5.555 1.00 0.00 C ATOM 585 CZ PHE A 34 -11.639 -1.377 6.525 1.00 0.00 C ATOM 0 H PHE A 34 -10.879 2.939 4.232 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.330 1.689 4.283 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -10.812 1.141 2.626 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.399 0.106 2.649 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.671 -0.351 5.321 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.564 0.271 3.758 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.624 -1.600 7.203 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -13.527 -0.994 5.613 1.00 0.00 H new ATOM 0 HZ PHE A 34 -12.062 -1.933 7.349 1.00 0.00 H new ATOM 595 N SER A 35 -9.210 3.408 1.634 1.00 0.00 N ATOM 596 CA SER A 35 -8.797 4.022 0.383 1.00 0.00 C ATOM 597 C SER A 35 -7.537 4.871 0.594 1.00 0.00 C ATOM 598 O SER A 35 -6.602 4.833 -0.210 1.00 0.00 O ATOM 599 CB SER A 35 -9.959 4.867 -0.170 1.00 0.00 C ATOM 600 OG SER A 35 -9.691 5.408 -1.451 1.00 0.00 O ATOM 0 H SER A 35 -10.127 3.720 1.954 1.00 0.00 H new ATOM 0 HA SER A 35 -8.550 3.248 -0.344 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.856 4.250 -0.223 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.172 5.680 0.524 1.00 0.00 H new ATOM 0 HG SER A 35 -10.462 5.933 -1.752 1.00 0.00 H new ATOM 606 N GLN A 36 -7.493 5.597 1.701 1.00 0.00 N ATOM 607 CA GLN A 36 -6.330 6.408 2.020 1.00 0.00 C ATOM 608 C GLN A 36 -5.118 5.541 2.324 1.00 0.00 C ATOM 609 O GLN A 36 -3.982 5.919 2.026 1.00 0.00 O ATOM 610 CB GLN A 36 -6.613 7.368 3.157 1.00 0.00 C ATOM 611 CG GLN A 36 -7.644 8.425 2.810 1.00 0.00 C ATOM 612 CD GLN A 36 -7.837 9.412 3.926 1.00 0.00 C ATOM 613 OE1 GLN A 36 -6.919 9.670 4.699 1.00 0.00 O ATOM 614 NE2 GLN A 36 -8.992 9.992 4.001 1.00 0.00 N ATOM 0 H GLN A 36 -8.245 5.641 2.389 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.100 7.005 1.137 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.960 6.803 4.022 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.684 7.859 3.448 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.332 8.953 1.909 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.595 7.943 2.584 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.729 9.749 3.339 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.165 10.692 4.722 1.00 0.00 H new ATOM 623 N GLU A 37 -5.359 4.360 2.885 1.00 0.00 N ATOM 624 CA GLU A 37 -4.276 3.428 3.146 1.00 0.00 C ATOM 625 C GLU A 37 -3.707 2.935 1.835 1.00 0.00 C ATOM 626 O GLU A 37 -2.512 2.761 1.708 1.00 0.00 O ATOM 627 CB GLU A 37 -4.742 2.228 3.940 1.00 0.00 C ATOM 628 CG GLU A 37 -5.325 2.542 5.283 1.00 0.00 C ATOM 629 CD GLU A 37 -5.689 1.291 6.006 1.00 0.00 C ATOM 630 OE1 GLU A 37 -6.663 0.617 5.601 1.00 0.00 O ATOM 631 OE2 GLU A 37 -4.989 0.926 6.965 1.00 0.00 O ATOM 0 H GLU A 37 -6.284 4.032 3.163 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.522 3.960 3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.488 1.692 3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.898 1.552 4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.607 3.112 5.872 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.209 3.169 5.164 1.00 0.00 H new ATOM 638 N LEU A 38 -4.589 2.733 0.866 1.00 0.00 N ATOM 639 CA LEU A 38 -4.219 2.262 -0.459 1.00 0.00 C ATOM 640 C LEU A 38 -3.259 3.277 -1.098 1.00 0.00 C ATOM 641 O LEU A 38 -2.207 2.909 -1.619 1.00 0.00 O ATOM 642 CB LEU A 38 -5.522 2.035 -1.294 1.00 0.00 C ATOM 643 CG LEU A 38 -5.434 1.347 -2.684 1.00 0.00 C ATOM 644 CD1 LEU A 38 -4.828 2.246 -3.749 1.00 0.00 C ATOM 645 CD2 LEU A 38 -4.666 0.042 -2.586 1.00 0.00 C ATOM 0 H LEU A 38 -5.590 2.893 0.980 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.693 1.308 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.203 1.445 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.988 3.009 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.457 1.137 -2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.792 1.712 -4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.439 3.142 -3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.818 2.530 -3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.615 -0.425 -3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.657 0.240 -2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.174 -0.628 -1.892 1.00 0.00 H new ATOM 657 N ASP A 39 -3.603 4.548 -0.984 1.00 0.00 N ATOM 658 CA ASP A 39 -2.754 5.632 -1.493 1.00 0.00 C ATOM 659 C ASP A 39 -1.413 5.674 -0.747 1.00 0.00 C ATOM 660 O ASP A 39 -0.355 5.881 -1.352 1.00 0.00 O ATOM 661 CB ASP A 39 -3.472 6.978 -1.390 1.00 0.00 C ATOM 662 CG ASP A 39 -2.606 8.142 -1.821 1.00 0.00 C ATOM 663 OD1 ASP A 39 -2.319 8.278 -3.027 1.00 0.00 O ATOM 664 OD2 ASP A 39 -2.230 8.966 -0.962 1.00 0.00 O ATOM 0 H ASP A 39 -4.467 4.864 -0.543 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.550 5.434 -2.545 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.371 6.953 -2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.795 7.134 -0.361 1.00 0.00 H new ATOM 669 N ARG A 40 -1.455 5.447 0.561 1.00 0.00 N ATOM 670 CA ARG A 40 -0.235 5.370 1.370 1.00 0.00 C ATOM 671 C ARG A 40 0.628 4.177 0.936 1.00 0.00 C ATOM 672 O ARG A 40 1.847 4.274 0.924 1.00 0.00 O ATOM 673 CB ARG A 40 -0.560 5.314 2.886 1.00 0.00 C ATOM 674 CG ARG A 40 0.651 5.065 3.816 1.00 0.00 C ATOM 675 CD ARG A 40 1.758 6.127 3.684 1.00 0.00 C ATOM 676 NE ARG A 40 2.920 5.810 4.558 1.00 0.00 N ATOM 677 CZ ARG A 40 4.188 6.281 4.407 1.00 0.00 C ATOM 678 NH1 ARG A 40 4.478 7.195 3.491 1.00 0.00 N ATOM 679 NH2 ARG A 40 5.164 5.842 5.208 1.00 0.00 N ATOM 0 H ARG A 40 -2.318 5.313 1.088 1.00 0.00 H new ATOM 0 HA ARG A 40 0.339 6.281 1.199 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.031 6.254 3.174 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.294 4.526 3.054 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.306 5.039 4.849 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.072 4.084 3.596 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.086 6.186 2.646 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.359 7.106 3.948 1.00 0.00 H new ATOM 0 HE ARG A 40 2.750 5.181 5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.744 7.558 2.883 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.435 7.535 3.394 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.958 5.154 5.932 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.114 6.195 5.095 1.00 0.00 H new ATOM 693 N LEU A 41 -0.011 3.077 0.556 1.00 0.00 N ATOM 694 CA LEU A 41 0.708 1.901 0.075 1.00 0.00 C ATOM 695 C LEU A 41 1.459 2.229 -1.212 1.00 0.00 C ATOM 696 O LEU A 41 2.606 1.833 -1.382 1.00 0.00 O ATOM 697 CB LEU A 41 -0.223 0.698 -0.141 1.00 0.00 C ATOM 698 CG LEU A 41 -0.995 0.179 1.078 1.00 0.00 C ATOM 699 CD1 LEU A 41 -1.893 -0.981 0.676 1.00 0.00 C ATOM 700 CD2 LEU A 41 -0.044 -0.250 2.187 1.00 0.00 C ATOM 0 H LEU A 41 -1.026 2.974 0.571 1.00 0.00 H new ATOM 0 HA LEU A 41 1.424 1.621 0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.947 0.966 -0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.374 -0.124 -0.537 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.614 0.991 1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.436 -1.341 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.603 -0.646 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.284 -1.788 0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.619 -0.614 3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.606 -1.045 1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.563 0.601 2.496 1.00 0.00 H new ATOM 712 N LEU A 42 0.811 2.977 -2.108 1.00 0.00 N ATOM 713 CA LEU A 42 1.470 3.466 -3.334 1.00 0.00 C ATOM 714 C LEU A 42 2.633 4.359 -2.972 1.00 0.00 C ATOM 715 O LEU A 42 3.735 4.263 -3.540 1.00 0.00 O ATOM 716 CB LEU A 42 0.498 4.250 -4.239 1.00 0.00 C ATOM 717 CG LEU A 42 -0.291 3.464 -5.288 1.00 0.00 C ATOM 718 CD1 LEU A 42 0.650 2.776 -6.259 1.00 0.00 C ATOM 719 CD2 LEU A 42 -1.234 2.469 -4.651 1.00 0.00 C ATOM 0 H LEU A 42 -0.165 3.259 -2.014 1.00 0.00 H new ATOM 0 HA LEU A 42 1.819 2.592 -3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.218 4.763 -3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.070 5.020 -4.757 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.901 4.176 -5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.070 2.222 -6.997 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.262 3.523 -6.764 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.296 2.087 -5.714 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.776 1.931 -5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.664 1.761 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.944 2.997 -4.014 1.00 0.00 H new ATOM 731 N ASN A 43 2.400 5.189 -1.986 1.00 0.00 N ATOM 732 CA ASN A 43 3.394 6.115 -1.497 1.00 0.00 C ATOM 733 C ASN A 43 4.543 5.429 -0.821 1.00 0.00 C ATOM 734 O ASN A 43 5.577 6.023 -0.651 1.00 0.00 O ATOM 735 CB ASN A 43 2.802 7.229 -0.628 1.00 0.00 C ATOM 736 CG ASN A 43 2.236 8.371 -1.454 1.00 0.00 C ATOM 737 OD1 ASN A 43 2.940 9.339 -1.753 1.00 0.00 O ATOM 738 ND2 ASN A 43 0.994 8.277 -1.842 1.00 0.00 N ATOM 0 H ASN A 43 1.508 5.242 -1.495 1.00 0.00 H new ATOM 0 HA ASN A 43 3.797 6.601 -2.385 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.014 6.815 0.002 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.573 7.614 0.039 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.579 9.017 -2.409 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.438 7.464 -1.578 1.00 0.00 H new ATOM 745 N LEU A 44 4.367 4.177 -0.438 1.00 0.00 N ATOM 746 CA LEU A 44 5.456 3.412 0.134 1.00 0.00 C ATOM 747 C LEU A 44 6.525 3.171 -0.913 1.00 0.00 C ATOM 748 O LEU A 44 7.697 3.340 -0.639 1.00 0.00 O ATOM 749 CB LEU A 44 4.975 2.090 0.728 1.00 0.00 C ATOM 750 CG LEU A 44 4.059 2.186 1.949 1.00 0.00 C ATOM 751 CD1 LEU A 44 3.634 0.805 2.401 1.00 0.00 C ATOM 752 CD2 LEU A 44 4.755 2.915 3.088 1.00 0.00 C ATOM 0 H LEU A 44 3.484 3.672 -0.513 1.00 0.00 H new ATOM 0 HA LEU A 44 5.880 3.995 0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.450 1.537 -0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.850 1.501 1.003 1.00 0.00 H new ATOM 0 HG LEU A 44 3.172 2.752 1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.983 0.891 3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.097 0.307 1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.516 0.221 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.086 2.972 3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.659 2.374 3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.020 3.922 2.767 1.00 0.00 H new ATOM 764 N LEU A 45 6.106 2.837 -2.137 1.00 0.00 N ATOM 765 CA LEU A 45 7.052 2.635 -3.244 1.00 0.00 C ATOM 766 C LEU A 45 7.746 3.954 -3.565 1.00 0.00 C ATOM 767 O LEU A 45 8.944 3.995 -3.851 1.00 0.00 O ATOM 768 CB LEU A 45 6.372 2.075 -4.527 1.00 0.00 C ATOM 769 CG LEU A 45 5.858 0.610 -4.521 1.00 0.00 C ATOM 770 CD1 LEU A 45 6.958 -0.375 -4.165 1.00 0.00 C ATOM 771 CD2 LEU A 45 4.645 0.421 -3.626 1.00 0.00 C ATOM 0 H LEU A 45 5.127 2.701 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 45 7.777 1.890 -2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.526 2.721 -4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.083 2.172 -5.347 1.00 0.00 H new ATOM 0 HG LEU A 45 5.538 0.398 -5.541 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.556 -1.388 -4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.764 -0.300 -4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.345 -0.145 -3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.327 -0.621 -3.659 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.903 0.689 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.833 1.059 -3.974 1.00 0.00 H new ATOM 783 N ILE A 46 6.982 5.027 -3.479 1.00 0.00 N ATOM 784 CA ILE A 46 7.477 6.379 -3.710 1.00 0.00 C ATOM 785 C ILE A 46 8.479 6.764 -2.610 1.00 0.00 C ATOM 786 O ILE A 46 9.534 7.349 -2.882 1.00 0.00 O ATOM 787 CB ILE A 46 6.295 7.396 -3.724 1.00 0.00 C ATOM 788 CG1 ILE A 46 5.297 7.034 -4.839 1.00 0.00 C ATOM 789 CG2 ILE A 46 6.795 8.834 -3.886 1.00 0.00 C ATOM 790 CD1 ILE A 46 4.065 7.918 -4.886 1.00 0.00 C ATOM 0 H ILE A 46 5.990 4.988 -3.245 1.00 0.00 H new ATOM 0 HA ILE A 46 7.976 6.406 -4.679 1.00 0.00 H new ATOM 0 HB ILE A 46 5.784 7.335 -2.763 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.808 7.091 -5.800 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.982 5.999 -4.707 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.945 9.516 -3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.456 9.085 -3.057 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.340 8.926 -4.825 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.416 7.594 -5.700 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.527 7.843 -3.941 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.366 8.953 -5.051 1.00 0.00 H new ATOM 802 N GLU A 47 8.151 6.397 -1.386 1.00 0.00 N ATOM 803 CA GLU A 47 8.960 6.698 -0.226 1.00 0.00 C ATOM 804 C GLU A 47 10.231 5.847 -0.217 1.00 0.00 C ATOM 805 O GLU A 47 11.267 6.291 0.269 1.00 0.00 O ATOM 806 CB GLU A 47 8.144 6.498 1.060 1.00 0.00 C ATOM 807 CG GLU A 47 8.818 7.009 2.319 1.00 0.00 C ATOM 808 CD GLU A 47 7.968 6.834 3.546 1.00 0.00 C ATOM 809 OE1 GLU A 47 7.119 7.719 3.818 1.00 0.00 O ATOM 810 OE2 GLU A 47 8.145 5.831 4.280 1.00 0.00 O ATOM 0 H GLU A 47 7.303 5.874 -1.169 1.00 0.00 H new ATOM 0 HA GLU A 47 9.264 7.744 -0.274 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.184 7.001 0.948 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.935 5.435 1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.763 6.484 2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.056 8.065 2.195 1.00 0.00 H new ATOM 817 N LEU A 48 10.150 4.623 -0.763 1.00 0.00 N ATOM 818 CA LEU A 48 11.318 3.753 -0.900 1.00 0.00 C ATOM 819 C LEU A 48 12.407 4.414 -1.711 1.00 0.00 C ATOM 820 O LEU A 48 13.589 4.271 -1.422 1.00 0.00 O ATOM 821 CB LEU A 48 10.957 2.423 -1.515 1.00 0.00 C ATOM 822 CG LEU A 48 10.097 1.512 -0.649 1.00 0.00 C ATOM 823 CD1 LEU A 48 10.023 0.180 -1.284 1.00 0.00 C ATOM 824 CD2 LEU A 48 10.652 1.385 0.772 1.00 0.00 C ATOM 0 H LEU A 48 9.283 4.217 -1.116 1.00 0.00 H new ATOM 0 HA LEU A 48 11.693 3.574 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.432 2.606 -2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.878 1.896 -1.764 1.00 0.00 H new ATOM 0 HG LEU A 48 9.102 1.950 -0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.409 -0.481 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.579 0.274 -2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.026 -0.236 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.009 0.727 1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.659 0.969 0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.684 2.369 1.239 1.00 0.00 H new ATOM 836 N LYS A 49 11.990 5.177 -2.691 1.00 0.00 N ATOM 837 CA LYS A 49 12.890 5.935 -3.537 1.00 0.00 C ATOM 838 C LYS A 49 13.636 6.977 -2.682 1.00 0.00 C ATOM 839 O LYS A 49 14.852 7.117 -2.765 1.00 0.00 O ATOM 840 CB LYS A 49 12.061 6.632 -4.624 1.00 0.00 C ATOM 841 CG LYS A 49 12.838 7.460 -5.633 1.00 0.00 C ATOM 842 CD LYS A 49 13.716 6.606 -6.520 1.00 0.00 C ATOM 843 CE LYS A 49 14.417 7.452 -7.571 1.00 0.00 C ATOM 844 NZ LYS A 49 13.455 8.194 -8.441 1.00 0.00 N ATOM 0 H LYS A 49 11.005 5.293 -2.930 1.00 0.00 H new ATOM 0 HA LYS A 49 13.623 5.277 -4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.498 5.872 -5.166 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.333 7.281 -4.137 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.140 8.024 -6.251 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.456 8.187 -5.105 1.00 0.00 H new ATOM 0 HD2 LYS A 49 14.457 6.087 -5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.112 5.841 -7.008 1.00 0.00 H new ATOM 0 HE2 LYS A 49 15.080 8.163 -7.078 1.00 0.00 H new ATOM 0 HE3 LYS A 49 15.043 6.811 -8.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.947 8.532 -9.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.678 7.561 -8.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.070 9.007 -7.919 1.00 0.00 H new ATOM 858 N THR A 50 12.887 7.634 -1.817 1.00 0.00 N ATOM 859 CA THR A 50 13.382 8.694 -0.955 1.00 0.00 C ATOM 860 C THR A 50 14.345 8.151 0.149 1.00 0.00 C ATOM 861 O THR A 50 15.113 8.906 0.749 1.00 0.00 O ATOM 862 CB THR A 50 12.178 9.402 -0.291 1.00 0.00 C ATOM 863 OG1 THR A 50 11.152 9.634 -1.281 1.00 0.00 O ATOM 864 CG2 THR A 50 12.596 10.740 0.288 1.00 0.00 C ATOM 0 H THR A 50 11.893 7.442 -1.690 1.00 0.00 H new ATOM 0 HA THR A 50 13.950 9.394 -1.568 1.00 0.00 H new ATOM 0 HB THR A 50 11.803 8.764 0.509 1.00 0.00 H new ATOM 0 HG1 THR A 50 10.388 10.081 -0.861 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.734 11.222 0.750 1.00 0.00 H new ATOM 0 HG22 THR A 50 13.371 10.585 1.038 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.983 11.376 -0.508 1.00 0.00 H new ATOM 872 N LYS A 51 14.303 6.841 0.393 1.00 0.00 N ATOM 873 CA LYS A 51 15.120 6.197 1.448 1.00 0.00 C ATOM 874 C LYS A 51 16.622 6.272 1.150 1.00 0.00 C ATOM 875 O LYS A 51 17.428 5.972 2.019 1.00 0.00 O ATOM 876 CB LYS A 51 14.752 4.714 1.626 1.00 0.00 C ATOM 877 CG LYS A 51 13.295 4.420 1.933 1.00 0.00 C ATOM 878 CD LYS A 51 12.825 5.013 3.243 1.00 0.00 C ATOM 879 CE LYS A 51 11.375 4.630 3.494 1.00 0.00 C ATOM 880 NZ LYS A 51 10.814 5.282 4.695 1.00 0.00 N ATOM 0 H LYS A 51 13.710 6.192 -0.125 1.00 0.00 H new ATOM 0 HA LYS A 51 14.902 6.752 2.361 1.00 0.00 H new ATOM 0 HB2 LYS A 51 15.025 4.181 0.715 1.00 0.00 H new ATOM 0 HB3 LYS A 51 15.362 4.303 2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.676 4.808 1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.147 3.340 1.958 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.451 4.655 4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.924 6.098 3.217 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.776 4.901 2.625 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.303 3.548 3.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.777 5.303 4.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.094 4.748 5.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.176 6.254 4.763 1.00 0.00 H new ATOM 894 N LYS A 52 16.968 6.569 -0.120 1.00 0.00 N ATOM 895 CA LYS A 52 18.364 6.681 -0.671 1.00 0.00 C ATOM 896 C LYS A 52 19.192 5.393 -0.623 1.00 0.00 C ATOM 897 O LYS A 52 20.182 5.271 -1.323 1.00 0.00 O ATOM 898 CB LYS A 52 19.194 7.905 -0.174 1.00 0.00 C ATOM 899 CG LYS A 52 19.565 7.949 1.303 1.00 0.00 C ATOM 900 CD LYS A 52 20.537 9.083 1.565 1.00 0.00 C ATOM 901 CE LYS A 52 20.836 9.270 3.042 1.00 0.00 C ATOM 902 NZ LYS A 52 19.642 9.693 3.799 1.00 0.00 N ATOM 0 H LYS A 52 16.261 6.748 -0.833 1.00 0.00 H new ATOM 0 HA LYS A 52 18.151 6.873 -1.723 1.00 0.00 H new ATOM 0 HB2 LYS A 52 20.116 7.944 -0.754 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.632 8.810 -0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.668 8.083 1.907 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.012 7.001 1.602 1.00 0.00 H new ATOM 0 HD2 LYS A 52 21.468 8.889 1.032 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.126 10.009 1.162 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.216 8.336 3.456 1.00 0.00 H new ATOM 0 HE3 LYS A 52 21.623 10.015 3.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 19.928 10.020 4.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 19.167 10.468 3.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.988 8.890 3.894 1.00 0.00 H new ATOM 916 N LYS A 53 18.800 4.460 0.205 1.00 0.00 N ATOM 917 CA LYS A 53 19.461 3.169 0.299 1.00 0.00 C ATOM 918 C LYS A 53 18.976 2.214 -0.788 1.00 0.00 C ATOM 919 O LYS A 53 19.467 1.085 -0.923 1.00 0.00 O ATOM 920 CB LYS A 53 19.290 2.569 1.699 1.00 0.00 C ATOM 921 CG LYS A 53 17.849 2.531 2.208 1.00 0.00 C ATOM 922 CD LYS A 53 17.777 1.939 3.609 1.00 0.00 C ATOM 923 CE LYS A 53 18.068 0.445 3.609 1.00 0.00 C ATOM 924 NZ LYS A 53 16.951 -0.339 3.044 1.00 0.00 N ATOM 0 H LYS A 53 18.009 4.568 0.840 1.00 0.00 H new ATOM 0 HA LYS A 53 20.527 3.325 0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 53 19.686 1.553 1.695 1.00 0.00 H new ATOM 0 HB3 LYS A 53 19.894 3.144 2.402 1.00 0.00 H new ATOM 0 HG2 LYS A 53 17.436 3.540 2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 53 17.236 1.940 1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 53 18.492 2.448 4.256 1.00 0.00 H new ATOM 0 HD3 LYS A 53 16.786 2.116 4.028 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.973 0.252 3.033 1.00 0.00 H new ATOM 0 HE3 LYS A 53 18.263 0.114 4.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.132 -1.353 3.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 16.065 -0.075 3.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.868 -0.142 2.026 1.00 0.00 H new ATOM 938 N ARG A 54 18.007 2.664 -1.549 1.00 0.00 N ATOM 939 CA ARG A 54 17.527 1.917 -2.675 1.00 0.00 C ATOM 940 C ARG A 54 18.364 2.311 -3.879 1.00 0.00 C ATOM 941 O ARG A 54 18.733 3.486 -4.027 1.00 0.00 O ATOM 942 CB ARG A 54 16.036 2.159 -2.923 1.00 0.00 C ATOM 943 CG ARG A 54 15.116 1.633 -1.817 1.00 0.00 C ATOM 944 CD ARG A 54 15.154 0.111 -1.696 1.00 0.00 C ATOM 945 NE ARG A 54 14.717 -0.548 -2.935 1.00 0.00 N ATOM 946 CZ ARG A 54 14.502 -1.865 -3.092 1.00 0.00 C ATOM 947 NH1 ARG A 54 14.582 -2.691 -2.054 1.00 0.00 N ATOM 948 NH2 ARG A 54 14.162 -2.339 -4.292 1.00 0.00 N ATOM 0 H ARG A 54 17.534 3.556 -1.402 1.00 0.00 H new ATOM 0 HA ARG A 54 17.627 0.849 -2.482 1.00 0.00 H new ATOM 0 HB2 ARG A 54 15.869 3.230 -3.039 1.00 0.00 H new ATOM 0 HB3 ARG A 54 15.756 1.689 -3.866 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.408 2.077 -0.865 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.093 1.952 -2.018 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.167 -0.209 -1.453 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.514 -0.204 -0.872 1.00 0.00 H new ATOM 0 HE ARG A 54 14.563 0.048 -3.748 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.808 -2.327 -1.129 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.417 -3.689 -2.183 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.067 -1.703 -5.083 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.997 -3.338 -4.418 1.00 0.00 H new ATOM 962 N TYR A 55 18.627 1.358 -4.740 1.00 0.00 N ATOM 963 CA TYR A 55 19.582 1.518 -5.834 1.00 0.00 C ATOM 964 C TYR A 55 19.187 2.608 -6.817 1.00 0.00 C ATOM 965 O TYR A 55 20.058 3.300 -7.350 1.00 0.00 O ATOM 966 CB TYR A 55 19.782 0.191 -6.565 1.00 0.00 C ATOM 967 CG TYR A 55 20.152 -0.947 -5.645 1.00 0.00 C ATOM 968 CD1 TYR A 55 21.446 -1.096 -5.183 1.00 0.00 C ATOM 969 CD2 TYR A 55 19.195 -1.865 -5.223 1.00 0.00 C ATOM 970 CE1 TYR A 55 21.783 -2.124 -4.332 1.00 0.00 C ATOM 971 CE2 TYR A 55 19.525 -2.892 -4.369 1.00 0.00 C ATOM 972 CZ TYR A 55 20.822 -3.017 -3.930 1.00 0.00 C ATOM 973 OH TYR A 55 21.156 -4.033 -3.073 1.00 0.00 O ATOM 0 H TYR A 55 18.186 0.439 -4.710 1.00 0.00 H new ATOM 0 HA TYR A 55 20.523 1.831 -5.382 1.00 0.00 H new ATOM 0 HB2 TYR A 55 18.866 -0.064 -7.097 1.00 0.00 H new ATOM 0 HB3 TYR A 55 20.564 0.311 -7.315 1.00 0.00 H new ATOM 0 HD1 TYR A 55 22.205 -0.394 -5.495 1.00 0.00 H new ATOM 0 HD2 TYR A 55 18.177 -1.770 -5.571 1.00 0.00 H new ATOM 0 HE1 TYR A 55 22.800 -2.227 -3.982 1.00 0.00 H new ATOM 0 HE2 TYR A 55 18.771 -3.595 -4.046 1.00 0.00 H new ATOM 0 HH TYR A 55 20.363 -4.577 -2.885 1.00 0.00 H new ATOM 983 N SER A 56 17.897 2.799 -6.997 1.00 0.00 N ATOM 984 CA SER A 56 17.371 3.746 -7.957 1.00 0.00 C ATOM 985 C SER A 56 17.656 5.219 -7.612 1.00 0.00 C ATOM 986 O SER A 56 17.473 6.093 -8.452 1.00 0.00 O ATOM 987 CB SER A 56 15.882 3.496 -8.160 1.00 0.00 C ATOM 988 OG SER A 56 15.214 3.369 -6.913 1.00 0.00 O ATOM 0 H SER A 56 17.178 2.297 -6.476 1.00 0.00 H new ATOM 0 HA SER A 56 17.903 3.574 -8.893 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.446 4.317 -8.729 1.00 0.00 H new ATOM 0 HB3 SER A 56 15.738 2.589 -8.748 1.00 0.00 H new ATOM 0 HG SER A 56 14.259 3.211 -7.068 1.00 0.00 H new ATOM 994 N LEU A 57 18.086 5.510 -6.389 1.00 0.00 N ATOM 995 CA LEU A 57 18.423 6.884 -6.069 1.00 0.00 C ATOM 996 C LEU A 57 19.872 7.158 -6.437 1.00 0.00 C ATOM 997 O LEU A 57 20.223 8.261 -6.834 1.00 0.00 O ATOM 998 CB LEU A 57 18.087 7.255 -4.596 1.00 0.00 C ATOM 999 CG LEU A 57 18.267 8.753 -4.212 1.00 0.00 C ATOM 1000 CD1 LEU A 57 17.319 9.152 -3.102 1.00 0.00 C ATOM 1001 CD2 LEU A 57 19.697 9.042 -3.775 1.00 0.00 C ATOM 0 H LEU A 57 18.205 4.838 -5.631 1.00 0.00 H new ATOM 0 HA LEU A 57 17.795 7.541 -6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 57 17.054 6.971 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 57 18.715 6.654 -3.938 1.00 0.00 H new ATOM 0 HG LEU A 57 18.040 9.339 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 57 17.469 10.203 -2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 57 16.291 8.999 -3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 57 17.514 8.542 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 57 19.792 10.096 -3.513 1.00 0.00 H new ATOM 0 HD22 LEU A 57 19.943 8.429 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 57 20.381 8.808 -4.591 1.00 0.00 H new ATOM 1013 N LEU A 58 20.701 6.140 -6.352 1.00 0.00 N ATOM 1014 CA LEU A 58 22.099 6.289 -6.714 1.00 0.00 C ATOM 1015 C LEU A 58 22.209 6.173 -8.211 1.00 0.00 C ATOM 1016 O LEU A 58 22.701 7.070 -8.891 1.00 0.00 O ATOM 1017 CB LEU A 58 23.017 5.219 -6.062 1.00 0.00 C ATOM 1018 CG LEU A 58 23.096 5.159 -4.529 1.00 0.00 C ATOM 1019 CD1 LEU A 58 21.842 4.555 -3.928 1.00 0.00 C ATOM 1020 CD2 LEU A 58 24.322 4.384 -4.092 1.00 0.00 C ATOM 0 H LEU A 58 20.437 5.206 -6.038 1.00 0.00 H new ATOM 0 HA LEU A 58 22.433 7.261 -6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 58 22.690 4.241 -6.416 1.00 0.00 H new ATOM 0 HB3 LEU A 58 24.027 5.374 -6.441 1.00 0.00 H new ATOM 0 HG LEU A 58 23.177 6.182 -4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 58 21.935 4.529 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 58 20.978 5.160 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 58 21.710 3.541 -4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 58 24.363 4.351 -3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 58 24.269 3.368 -4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 58 25.218 4.874 -4.474 1.00 0.00 H new ATOM 1032 N GLU A 59 21.705 5.083 -8.714 1.00 0.00 N ATOM 1033 CA GLU A 59 21.735 4.800 -10.110 1.00 0.00 C ATOM 1034 C GLU A 59 20.368 5.082 -10.662 1.00 0.00 C ATOM 1035 O GLU A 59 19.482 4.217 -10.641 1.00 0.00 O ATOM 1036 CB GLU A 59 22.127 3.348 -10.343 1.00 0.00 C ATOM 1037 CG GLU A 59 23.440 2.982 -9.687 1.00 0.00 C ATOM 1038 CD GLU A 59 23.797 1.543 -9.869 1.00 0.00 C ATOM 1039 OE1 GLU A 59 23.332 0.691 -9.072 1.00 0.00 O ATOM 1040 OE2 GLU A 59 24.566 1.228 -10.792 1.00 0.00 O ATOM 0 H GLU A 59 21.256 4.359 -8.153 1.00 0.00 H new ATOM 0 HA GLU A 59 22.475 5.423 -10.613 1.00 0.00 H new ATOM 0 HB2 GLU A 59 21.341 2.698 -9.959 1.00 0.00 H new ATOM 0 HB3 GLU A 59 22.198 3.163 -11.415 1.00 0.00 H new ATOM 0 HG2 GLU A 59 24.234 3.604 -10.101 1.00 0.00 H new ATOM 0 HG3 GLU A 59 23.383 3.206 -8.622 1.00 0.00 H new ATOM 1047 N HIS A 60 20.175 6.293 -11.082 1.00 0.00 N ATOM 1048 CA HIS A 60 18.893 6.726 -11.547 1.00 0.00 C ATOM 1049 C HIS A 60 18.917 6.865 -13.045 1.00 0.00 C ATOM 1050 O HIS A 60 19.463 7.840 -13.591 1.00 0.00 O ATOM 1051 CB HIS A 60 18.487 8.050 -10.881 1.00 0.00 C ATOM 1052 CG HIS A 60 17.081 8.489 -11.190 1.00 0.00 C ATOM 1053 ND1 HIS A 60 16.759 9.588 -11.964 1.00 0.00 N ATOM 1054 CD2 HIS A 60 15.906 7.961 -10.788 1.00 0.00 C ATOM 1055 CE1 HIS A 60 15.430 9.688 -12.002 1.00 0.00 C ATOM 1056 NE2 HIS A 60 14.859 8.719 -11.299 1.00 0.00 N ATOM 0 H HIS A 60 20.900 7.009 -11.113 1.00 0.00 H new ATOM 0 HA HIS A 60 18.149 5.978 -11.274 1.00 0.00 H new ATOM 0 HB2 HIS A 60 18.595 7.949 -9.801 1.00 0.00 H new ATOM 0 HB3 HIS A 60 19.178 8.831 -11.199 1.00 0.00 H new ATOM 0 HD1 HIS A 60 17.421 10.212 -12.425 1.00 0.00 H new ATOM 0 HD2 HIS A 60 15.796 7.085 -10.166 1.00 0.00 H new ATOM 0 HE1 HIS A 60 14.890 10.457 -12.535 1.00 0.00 H new ATOM 1064 N HIS A 61 18.371 5.893 -13.702 1.00 0.00 N ATOM 1065 CA HIS A 61 18.298 5.898 -15.133 1.00 0.00 C ATOM 1066 C HIS A 61 17.057 6.639 -15.536 1.00 0.00 C ATOM 1067 O HIS A 61 15.950 6.291 -15.118 1.00 0.00 O ATOM 1068 CB HIS A 61 18.277 4.473 -15.714 1.00 0.00 C ATOM 1069 CG HIS A 61 19.512 3.664 -15.432 1.00 0.00 C ATOM 1070 ND1 HIS A 61 20.436 3.307 -16.390 1.00 0.00 N ATOM 1071 CD2 HIS A 61 19.945 3.113 -14.275 1.00 0.00 C ATOM 1072 CE1 HIS A 61 21.378 2.568 -15.803 1.00 0.00 C ATOM 1073 NE2 HIS A 61 21.128 2.419 -14.510 1.00 0.00 N ATOM 0 H HIS A 61 17.961 5.069 -13.263 1.00 0.00 H new ATOM 0 HA HIS A 61 19.187 6.388 -15.530 1.00 0.00 H new ATOM 0 HB2 HIS A 61 17.413 3.944 -15.313 1.00 0.00 H new ATOM 0 HB3 HIS A 61 18.139 4.537 -16.793 1.00 0.00 H new ATOM 0 HD2 HIS A 61 19.450 3.198 -13.319 1.00 0.00 H new ATOM 0 HE1 HIS A 61 22.231 2.147 -16.313 1.00 0.00 H new ATOM 0 HE2 HIS A 61 21.686 1.903 -13.829 1.00 0.00 H new ATOM 1081 N HIS A 62 17.235 7.655 -16.306 1.00 0.00 N ATOM 1082 CA HIS A 62 16.153 8.471 -16.750 1.00 0.00 C ATOM 1083 C HIS A 62 15.745 8.027 -18.140 1.00 0.00 C ATOM 1084 O HIS A 62 16.441 8.294 -19.115 1.00 0.00 O ATOM 1085 CB HIS A 62 16.579 9.954 -16.732 1.00 0.00 C ATOM 1086 CG HIS A 62 15.528 10.923 -17.190 1.00 0.00 C ATOM 1087 ND1 HIS A 62 15.645 11.696 -18.319 1.00 0.00 N ATOM 1088 CD2 HIS A 62 14.344 11.258 -16.630 1.00 0.00 C ATOM 1089 CE1 HIS A 62 14.564 12.464 -18.414 1.00 0.00 C ATOM 1090 NE2 HIS A 62 13.734 12.236 -17.411 1.00 0.00 N ATOM 0 H HIS A 62 18.148 7.949 -16.652 1.00 0.00 H new ATOM 0 HA HIS A 62 15.296 8.364 -16.085 1.00 0.00 H new ATOM 0 HB2 HIS A 62 16.878 10.218 -15.717 1.00 0.00 H new ATOM 0 HB3 HIS A 62 17.459 10.071 -17.364 1.00 0.00 H new ATOM 0 HD2 HIS A 62 13.937 10.835 -15.723 1.00 0.00 H new ATOM 0 HE1 HIS A 62 14.388 13.178 -19.205 1.00 0.00 H new ATOM 0 HE2 HIS A 62 12.833 12.684 -17.244 1.00 0.00 H new ATOM 1098 N HIS A 63 14.677 7.294 -18.217 1.00 0.00 N ATOM 1099 CA HIS A 63 14.175 6.838 -19.480 1.00 0.00 C ATOM 1100 C HIS A 63 13.095 7.801 -19.919 1.00 0.00 C ATOM 1101 O HIS A 63 12.040 7.915 -19.265 1.00 0.00 O ATOM 1102 CB HIS A 63 13.617 5.405 -19.357 1.00 0.00 C ATOM 1103 CG HIS A 63 13.231 4.755 -20.667 1.00 0.00 C ATOM 1104 ND1 HIS A 63 13.811 3.601 -21.146 1.00 0.00 N ATOM 1105 CD2 HIS A 63 12.272 5.089 -21.572 1.00 0.00 C ATOM 1106 CE1 HIS A 63 13.204 3.281 -22.292 1.00 0.00 C ATOM 1107 NE2 HIS A 63 12.260 4.152 -22.596 1.00 0.00 N ATOM 0 H HIS A 63 14.129 6.995 -17.410 1.00 0.00 H new ATOM 0 HA HIS A 63 14.975 6.809 -20.219 1.00 0.00 H new ATOM 0 HB2 HIS A 63 14.364 4.781 -18.865 1.00 0.00 H new ATOM 0 HB3 HIS A 63 12.742 5.426 -18.708 1.00 0.00 H new ATOM 0 HD2 HIS A 63 11.622 5.949 -21.504 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.454 2.419 -22.893 1.00 0.00 H new ATOM 0 HE2 HIS A 63 11.649 4.139 -23.413 1.00 0.00 H new ATOM 1115 N HIS A 64 13.358 8.509 -20.963 1.00 0.00 N ATOM 1116 CA HIS A 64 12.438 9.474 -21.479 1.00 0.00 C ATOM 1117 C HIS A 64 12.724 9.603 -22.957 1.00 0.00 C ATOM 1118 O HIS A 64 13.604 10.403 -23.336 1.00 0.00 O ATOM 1119 CB HIS A 64 12.644 10.819 -20.760 1.00 0.00 C ATOM 1120 CG HIS A 64 11.565 11.845 -20.979 1.00 0.00 C ATOM 1121 ND1 HIS A 64 10.867 12.444 -19.953 1.00 0.00 N ATOM 1122 CD2 HIS A 64 11.120 12.426 -22.116 1.00 0.00 C ATOM 1123 CE1 HIS A 64 10.045 13.344 -20.482 1.00 0.00 C ATOM 1124 NE2 HIS A 64 10.160 13.378 -21.801 1.00 0.00 N ATOM 1125 OXT HIS A 64 12.134 8.863 -23.730 1.00 0.00 O ATOM 0 H HIS A 64 14.227 8.436 -21.492 1.00 0.00 H new ATOM 0 HA HIS A 64 11.404 9.170 -21.318 1.00 0.00 H new ATOM 0 HB2 HIS A 64 12.728 10.629 -19.690 1.00 0.00 H new ATOM 0 HB3 HIS A 64 13.594 11.242 -21.085 1.00 0.00 H new ATOM 0 HD2 HIS A 64 11.459 12.187 -23.113 1.00 0.00 H new ATOM 0 HE1 HIS A 64 9.371 13.966 -19.911 1.00 0.00 H new ATOM 0 HE2 HIS A 64 9.650 13.978 -22.449 1.00 0.00 H new TER 1133 HIS A 64