USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=20 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 2 ASN : amide:sc= -1.71! C(o=-1.6!,f=-9.3!) USER MOD Set 1.2: A 4 THR OG1 : rot -170:sc= 0.0956 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.2 (180deg=-0.779) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0241) USER MOD Single : A 5 LYS NZ :NH3+ -153:sc= 1.24 (180deg=0.0459) USER MOD Single : A 7 ASN : amide:sc= -0.0613 K(o=-0.061,f=-3.9!) USER MOD Single : A 13 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0488) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 162:sc= 1.1 (180deg=0.873) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -3:sc= 1.2 USER MOD Single : A 28 HIS :FLIP no HD1:sc= -1.61 F(o=-3.1,f=-1.6) USER MOD Single : A 29 HIS : no HD1:sc=-0.00112 X(o=-0.0011,f=-0.0011) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 81:sc= 1.21 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN :FLIP amide:sc= -0.68 F(o=-1.9!,f=-0.68) USER MOD Single : A 43 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -169:sc= -0.0689 (180deg=-0.235) USER MOD Single : A 50 THR OG1 : rot 82:sc= 1.33 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0592) 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 56 SER OG : rot -97:sc= 0.133 USER MOD Single : A 60 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.037) USER MOD Single : A 61 HIS : no HE2:sc= -0.0343 X(o=-0.034,f=-0.34) 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 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.203 -7.932 3.243 1.00 0.00 N ATOM 2 CA MET A 1 14.123 -7.914 2.097 1.00 0.00 C ATOM 3 C MET A 1 13.359 -7.664 0.809 1.00 0.00 C ATOM 4 O MET A 1 13.728 -6.801 0.014 1.00 0.00 O ATOM 5 CB MET A 1 14.871 -9.249 1.991 1.00 0.00 C ATOM 6 CG MET A 1 15.911 -9.302 0.876 1.00 0.00 C ATOM 7 SD MET A 1 16.692 -10.931 0.713 1.00 0.00 S ATOM 8 CE MET A 1 17.326 -11.171 2.375 1.00 0.00 C ATOM 0 H1 MET A 1 13.747 -8.036 4.123 1.00 0.00 H new ATOM 0 H2 MET A 1 12.666 -7.042 3.271 1.00 0.00 H new ATOM 0 H3 MET A 1 12.544 -8.731 3.147 1.00 0.00 H new ATOM 0 HA MET A 1 14.842 -7.109 2.251 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.365 -9.451 2.942 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.145 -10.047 1.832 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.437 -9.036 -0.069 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.680 -8.554 1.068 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.102 -11.936 2.361 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.746 -10.235 2.743 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.515 -11.488 3.031 1.00 0.00 H new ATOM 20 N ASN A 2 12.294 -8.417 0.613 1.00 0.00 N ATOM 21 CA ASN A 2 11.504 -8.351 -0.605 1.00 0.00 C ATOM 22 C ASN A 2 10.582 -7.132 -0.616 1.00 0.00 C ATOM 23 O ASN A 2 9.748 -6.968 0.278 1.00 0.00 O ATOM 24 CB ASN A 2 10.701 -9.652 -0.772 1.00 0.00 C ATOM 25 CG ASN A 2 9.730 -9.608 -1.919 1.00 0.00 C ATOM 26 OD1 ASN A 2 8.579 -9.223 -1.741 1.00 0.00 O ATOM 27 ND2 ASN A 2 10.170 -9.993 -3.091 1.00 0.00 N ATOM 0 H ASN A 2 11.950 -9.094 1.294 1.00 0.00 H new ATOM 0 HA ASN A 2 12.184 -8.241 -1.450 1.00 0.00 H new ATOM 0 HB2 ASN A 2 11.393 -10.481 -0.922 1.00 0.00 H new ATOM 0 HB3 ASN A 2 10.155 -9.855 0.149 1.00 0.00 H new ATOM 0 HD21 ASN A 2 9.548 -9.980 -3.899 1.00 0.00 H new ATOM 0 HD22 ASN A 2 11.135 -10.306 -3.196 1.00 0.00 H new ATOM 34 N VAL A 3 10.784 -6.257 -1.591 1.00 0.00 N ATOM 35 CA VAL A 3 9.955 -5.057 -1.773 1.00 0.00 C ATOM 36 C VAL A 3 8.584 -5.389 -2.356 1.00 0.00 C ATOM 37 O VAL A 3 7.604 -4.702 -2.083 1.00 0.00 O ATOM 38 CB VAL A 3 10.632 -3.999 -2.688 1.00 0.00 C ATOM 39 CG1 VAL A 3 11.953 -3.544 -2.096 1.00 0.00 C ATOM 40 CG2 VAL A 3 10.814 -4.529 -4.123 1.00 0.00 C ATOM 0 H VAL A 3 11.527 -6.353 -2.283 1.00 0.00 H new ATOM 0 HA VAL A 3 9.835 -4.640 -0.773 1.00 0.00 H new ATOM 0 HB VAL A 3 9.972 -3.134 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 3 12.410 -2.804 -2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 3 11.779 -3.101 -1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 3 12.620 -4.400 -1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 3 11.290 -3.764 -4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 3 11.440 -5.421 -4.105 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.840 -4.778 -4.545 1.00 0.00 H new ATOM 50 N THR A 4 8.536 -6.464 -3.119 1.00 0.00 N ATOM 51 CA THR A 4 7.380 -6.892 -3.881 1.00 0.00 C ATOM 52 C THR A 4 6.130 -7.009 -3.012 1.00 0.00 C ATOM 53 O THR A 4 5.034 -6.580 -3.400 1.00 0.00 O ATOM 54 CB THR A 4 7.698 -8.260 -4.459 1.00 0.00 C ATOM 55 OG1 THR A 4 8.947 -8.211 -5.163 1.00 0.00 O ATOM 56 CG2 THR A 4 6.602 -8.720 -5.358 1.00 0.00 C ATOM 0 H THR A 4 9.335 -7.088 -3.229 1.00 0.00 H new ATOM 0 HA THR A 4 7.176 -6.153 -4.655 1.00 0.00 H new ATOM 0 HB THR A 4 7.783 -8.977 -3.642 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.073 -9.044 -5.664 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.850 -9.702 -5.761 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.671 -8.784 -4.794 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.482 -8.011 -6.177 1.00 0.00 H new ATOM 64 N LYS A 5 6.325 -7.544 -1.837 1.00 0.00 N ATOM 65 CA LYS A 5 5.287 -7.775 -0.876 1.00 0.00 C ATOM 66 C LYS A 5 4.495 -6.493 -0.536 1.00 0.00 C ATOM 67 O LYS A 5 3.344 -6.572 -0.137 1.00 0.00 O ATOM 68 CB LYS A 5 5.872 -8.402 0.359 1.00 0.00 C ATOM 69 CG LYS A 5 6.639 -7.443 1.243 1.00 0.00 C ATOM 70 CD LYS A 5 7.262 -8.144 2.417 1.00 0.00 C ATOM 71 CE LYS A 5 7.877 -7.157 3.393 1.00 0.00 C ATOM 72 NZ LYS A 5 8.819 -6.213 2.742 1.00 0.00 N ATOM 0 H LYS A 5 7.246 -7.841 -1.513 1.00 0.00 H new ATOM 0 HA LYS A 5 4.568 -8.463 -1.320 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.066 -8.849 0.941 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.537 -9.213 0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.417 -6.952 0.658 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.968 -6.662 1.600 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.507 -8.740 2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.028 -8.834 2.065 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.082 -6.592 3.880 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.402 -7.706 4.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.525 -5.893 3.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.300 -6.691 1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.293 -5.392 2.380 1.00 0.00 H new ATOM 86 N LEU A 6 5.133 -5.333 -0.679 1.00 0.00 N ATOM 87 CA LEU A 6 4.494 -4.050 -0.427 1.00 0.00 C ATOM 88 C LEU A 6 3.360 -3.836 -1.422 1.00 0.00 C ATOM 89 O LEU A 6 2.222 -3.559 -1.034 1.00 0.00 O ATOM 90 CB LEU A 6 5.518 -2.920 -0.544 1.00 0.00 C ATOM 91 CG LEU A 6 5.037 -1.501 -0.236 1.00 0.00 C ATOM 92 CD1 LEU A 6 4.451 -1.416 1.164 1.00 0.00 C ATOM 93 CD2 LEU A 6 6.191 -0.531 -0.377 1.00 0.00 C ATOM 0 H LEU A 6 6.107 -5.260 -0.973 1.00 0.00 H new ATOM 0 HA LEU A 6 4.086 -4.047 0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.348 -3.147 0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.915 -2.928 -1.559 1.00 0.00 H new ATOM 0 HG LEU A 6 4.253 -1.239 -0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.117 -0.397 1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.604 -2.097 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.211 -1.693 1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.846 0.479 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.983 -0.804 0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.576 -0.569 -1.396 1.00 0.00 H new ATOM 105 N ASN A 7 3.658 -4.025 -2.707 1.00 0.00 N ATOM 106 CA ASN A 7 2.643 -3.879 -3.748 1.00 0.00 C ATOM 107 C ASN A 7 1.634 -4.991 -3.609 1.00 0.00 C ATOM 108 O ASN A 7 0.455 -4.814 -3.855 1.00 0.00 O ATOM 109 CB ASN A 7 3.248 -3.876 -5.165 1.00 0.00 C ATOM 110 CG ASN A 7 2.189 -3.644 -6.254 1.00 0.00 C ATOM 111 OD1 ASN A 7 1.861 -2.509 -6.590 1.00 0.00 O ATOM 112 ND2 ASN A 7 1.673 -4.693 -6.829 1.00 0.00 N ATOM 0 H ASN A 7 4.585 -4.277 -3.049 1.00 0.00 H new ATOM 0 HA ASN A 7 2.159 -2.912 -3.615 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.009 -3.098 -5.231 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.748 -4.827 -5.345 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.984 -4.580 -7.572 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.958 -5.627 -6.536 1.00 0.00 H new ATOM 119 N ASP A 8 2.119 -6.121 -3.157 1.00 0.00 N ATOM 120 CA ASP A 8 1.307 -7.299 -2.887 1.00 0.00 C ATOM 121 C ASP A 8 0.247 -7.000 -1.814 1.00 0.00 C ATOM 122 O ASP A 8 -0.867 -7.545 -1.850 1.00 0.00 O ATOM 123 CB ASP A 8 2.220 -8.427 -2.437 1.00 0.00 C ATOM 124 CG ASP A 8 1.512 -9.705 -2.136 1.00 0.00 C ATOM 125 OD1 ASP A 8 1.220 -10.468 -3.077 1.00 0.00 O ATOM 126 OD2 ASP A 8 1.279 -9.997 -0.946 1.00 0.00 O ATOM 0 H ASP A 8 3.110 -6.258 -2.960 1.00 0.00 H new ATOM 0 HA ASP A 8 0.780 -7.592 -3.795 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.962 -8.610 -3.214 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.762 -8.107 -1.547 1.00 0.00 H new ATOM 131 N ARG A 9 0.589 -6.111 -0.866 1.00 0.00 N ATOM 132 CA ARG A 9 -0.360 -5.684 0.156 1.00 0.00 C ATOM 133 C ARG A 9 -1.449 -4.865 -0.504 1.00 0.00 C ATOM 134 O ARG A 9 -2.638 -5.010 -0.182 1.00 0.00 O ATOM 135 CB ARG A 9 0.294 -4.849 1.278 1.00 0.00 C ATOM 136 CG ARG A 9 1.431 -5.532 2.014 1.00 0.00 C ATOM 137 CD ARG A 9 1.895 -4.724 3.223 1.00 0.00 C ATOM 138 NE ARG A 9 0.902 -4.758 4.310 1.00 0.00 N ATOM 139 CZ ARG A 9 1.020 -4.156 5.502 1.00 0.00 C ATOM 140 NH1 ARG A 9 2.015 -3.320 5.737 1.00 0.00 N ATOM 141 NH2 ARG A 9 0.114 -4.385 6.444 1.00 0.00 N ATOM 0 H ARG A 9 1.511 -5.681 -0.793 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.764 -6.582 0.623 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.668 -3.920 0.847 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.475 -4.578 2.002 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.110 -6.521 2.340 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.269 -5.678 1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.844 -5.120 3.584 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.074 -3.691 2.924 1.00 0.00 H new ATOM 0 HE ARG A 9 0.047 -5.288 4.141 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.702 -3.127 5.008 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.096 -2.867 6.647 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.666 -5.016 6.259 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.198 -3.930 7.353 1.00 0.00 H new ATOM 155 N ILE A 10 -1.032 -4.039 -1.453 1.00 0.00 N ATOM 156 CA ILE A 10 -1.933 -3.188 -2.209 1.00 0.00 C ATOM 157 C ILE A 10 -2.893 -4.057 -3.006 1.00 0.00 C ATOM 158 O ILE A 10 -4.095 -3.853 -2.951 1.00 0.00 O ATOM 159 CB ILE A 10 -1.165 -2.279 -3.200 1.00 0.00 C ATOM 160 CG1 ILE A 10 -0.054 -1.524 -2.476 1.00 0.00 C ATOM 161 CG2 ILE A 10 -2.131 -1.297 -3.862 1.00 0.00 C ATOM 162 CD1 ILE A 10 0.818 -0.690 -3.385 1.00 0.00 C ATOM 0 H ILE A 10 -0.052 -3.942 -1.720 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.469 -2.558 -1.499 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.712 -2.902 -3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.501 -0.875 -1.723 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.573 -2.241 -1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.583 -0.661 -4.558 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.898 -1.850 -4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.601 -0.678 -3.098 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.582 -0.186 -2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.296 -1.335 -4.122 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.205 0.053 -3.896 1.00 0.00 H new ATOM 174 N GLU A 11 -2.336 -5.045 -3.713 1.00 0.00 N ATOM 175 CA GLU A 11 -3.106 -5.990 -4.530 1.00 0.00 C ATOM 176 C GLU A 11 -4.247 -6.614 -3.730 1.00 0.00 C ATOM 177 O GLU A 11 -5.395 -6.609 -4.170 1.00 0.00 O ATOM 178 CB GLU A 11 -2.204 -7.096 -5.089 1.00 0.00 C ATOM 179 CG GLU A 11 -1.092 -6.601 -6.003 1.00 0.00 C ATOM 180 CD GLU A 11 -1.604 -5.902 -7.240 1.00 0.00 C ATOM 181 OE1 GLU A 11 -1.913 -6.582 -8.231 1.00 0.00 O ATOM 182 OE2 GLU A 11 -1.676 -4.663 -7.261 1.00 0.00 O ATOM 0 H GLU A 11 -1.330 -5.213 -3.735 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.530 -5.426 -5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.758 -7.639 -4.256 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.820 -7.807 -5.639 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.451 -5.917 -5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.473 -7.447 -6.302 1.00 0.00 H new ATOM 189 N ALA A 12 -3.936 -7.091 -2.541 1.00 0.00 N ATOM 190 CA ALA A 12 -4.936 -7.709 -1.689 1.00 0.00 C ATOM 191 C ALA A 12 -6.015 -6.701 -1.261 1.00 0.00 C ATOM 192 O ALA A 12 -7.215 -7.009 -1.280 1.00 0.00 O ATOM 193 CB ALA A 12 -4.277 -8.341 -0.472 1.00 0.00 C ATOM 0 H ALA A 12 -2.998 -7.063 -2.141 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.429 -8.491 -2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.039 -8.800 0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.568 -9.102 -0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.751 -7.574 0.097 1.00 0.00 H new ATOM 199 N LYS A 13 -5.595 -5.490 -0.923 1.00 0.00 N ATOM 200 CA LYS A 13 -6.529 -4.486 -0.437 1.00 0.00 C ATOM 201 C LYS A 13 -7.350 -3.841 -1.536 1.00 0.00 C ATOM 202 O LYS A 13 -8.510 -3.507 -1.320 1.00 0.00 O ATOM 203 CB LYS A 13 -5.865 -3.445 0.466 1.00 0.00 C ATOM 204 CG LYS A 13 -5.519 -3.988 1.842 1.00 0.00 C ATOM 205 CD LYS A 13 -4.936 -2.920 2.746 1.00 0.00 C ATOM 206 CE LYS A 13 -4.742 -3.439 4.169 1.00 0.00 C ATOM 207 NZ LYS A 13 -3.795 -4.570 4.239 1.00 0.00 N ATOM 0 H LYS A 13 -4.624 -5.182 -0.976 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.236 -5.036 0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.956 -3.082 -0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.531 -2.589 0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.415 -4.403 2.303 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.805 -4.805 1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.979 -2.585 2.346 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.597 -2.053 2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.380 -2.628 4.801 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.705 -3.752 4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.648 -4.839 5.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.183 -5.380 3.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.886 -4.288 3.819 1.00 0.00 H new ATOM 221 N LYS A 14 -6.779 -3.699 -2.718 1.00 0.00 N ATOM 222 CA LYS A 14 -7.500 -3.087 -3.821 1.00 0.00 C ATOM 223 C LYS A 14 -8.658 -3.990 -4.252 1.00 0.00 C ATOM 224 O LYS A 14 -9.734 -3.515 -4.576 1.00 0.00 O ATOM 225 CB LYS A 14 -6.549 -2.731 -4.997 1.00 0.00 C ATOM 226 CG LYS A 14 -5.935 -3.913 -5.732 1.00 0.00 C ATOM 227 CD LYS A 14 -4.723 -3.507 -6.575 1.00 0.00 C ATOM 228 CE LYS A 14 -5.042 -2.437 -7.615 1.00 0.00 C ATOM 229 NZ LYS A 14 -3.856 -2.110 -8.443 1.00 0.00 N ATOM 0 H LYS A 14 -5.828 -3.995 -2.939 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.925 -2.142 -3.483 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.102 -2.127 -5.717 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.742 -2.108 -4.611 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.634 -4.671 -5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.687 -4.368 -6.377 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.937 -3.140 -5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.329 -4.389 -7.080 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.851 -2.783 -8.258 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.396 -1.536 -7.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.109 -1.380 -9.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.093 -1.756 -7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.533 -2.965 -8.940 1.00 0.00 H new ATOM 243 N LYS A 15 -8.445 -5.309 -4.162 1.00 0.00 N ATOM 244 CA LYS A 15 -9.487 -6.288 -4.492 1.00 0.00 C ATOM 245 C LYS A 15 -10.584 -6.269 -3.430 1.00 0.00 C ATOM 246 O LYS A 15 -11.767 -6.496 -3.722 1.00 0.00 O ATOM 247 CB LYS A 15 -8.899 -7.698 -4.576 1.00 0.00 C ATOM 248 CG LYS A 15 -7.836 -7.892 -5.646 1.00 0.00 C ATOM 249 CD LYS A 15 -8.391 -7.725 -7.052 1.00 0.00 C ATOM 250 CE LYS A 15 -7.319 -7.987 -8.100 1.00 0.00 C ATOM 251 NZ LYS A 15 -7.843 -7.866 -9.481 1.00 0.00 N ATOM 0 H LYS A 15 -7.561 -5.722 -3.864 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.908 -6.017 -5.460 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.468 -7.953 -3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.710 -8.403 -4.760 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.031 -7.174 -5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.401 -8.886 -5.546 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.225 -8.411 -7.201 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.784 -6.715 -7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.499 -7.283 -7.962 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.909 -8.986 -7.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.078 -8.053 -10.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.608 -8.555 -9.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.211 -6.905 -9.630 1.00 0.00 H new ATOM 265 N GLU A 16 -10.188 -5.953 -2.217 1.00 0.00 N ATOM 266 CA GLU A 16 -11.093 -5.917 -1.091 1.00 0.00 C ATOM 267 C GLU A 16 -11.942 -4.681 -1.196 1.00 0.00 C ATOM 268 O GLU A 16 -13.156 -4.719 -1.007 1.00 0.00 O ATOM 269 CB GLU A 16 -10.302 -5.949 0.224 1.00 0.00 C ATOM 270 CG GLU A 16 -11.145 -5.786 1.475 1.00 0.00 C ATOM 271 CD GLU A 16 -10.344 -5.976 2.729 1.00 0.00 C ATOM 272 OE1 GLU A 16 -9.414 -5.194 2.989 1.00 0.00 O ATOM 273 OE2 GLU A 16 -10.634 -6.921 3.484 1.00 0.00 O ATOM 0 H GLU A 16 -9.225 -5.713 -1.983 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.743 -6.792 -1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.764 -6.895 0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.553 -5.157 0.201 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.595 -4.793 1.481 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.963 -6.506 1.456 1.00 0.00 H new ATOM 280 N LEU A 17 -11.294 -3.601 -1.544 1.00 0.00 N ATOM 281 CA LEU A 17 -11.943 -2.349 -1.765 1.00 0.00 C ATOM 282 C LEU A 17 -12.981 -2.423 -2.856 1.00 0.00 C ATOM 283 O LEU A 17 -14.055 -1.894 -2.694 1.00 0.00 O ATOM 284 CB LEU A 17 -10.932 -1.254 -2.026 1.00 0.00 C ATOM 285 CG LEU A 17 -10.394 -0.547 -0.783 1.00 0.00 C ATOM 286 CD1 LEU A 17 -9.337 0.454 -1.163 1.00 0.00 C ATOM 287 CD2 LEU A 17 -11.522 0.152 -0.043 1.00 0.00 C ATOM 0 H LEU A 17 -10.284 -3.573 -1.683 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.479 -2.099 -0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.091 -1.682 -2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.389 -0.509 -2.677 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.950 -1.297 -0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.965 0.948 -0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.515 -0.057 -1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.765 1.197 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.123 0.651 0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.985 0.889 -0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.268 -0.582 0.261 1.00 0.00 H new ATOM 299 N ILE A 18 -12.670 -3.104 -3.945 1.00 0.00 N ATOM 300 CA ILE A 18 -13.636 -3.299 -5.030 1.00 0.00 C ATOM 301 C ILE A 18 -14.906 -3.987 -4.496 1.00 0.00 C ATOM 302 O ILE A 18 -16.026 -3.545 -4.770 1.00 0.00 O ATOM 303 CB ILE A 18 -13.015 -4.110 -6.204 1.00 0.00 C ATOM 304 CG1 ILE A 18 -11.860 -3.306 -6.826 1.00 0.00 C ATOM 305 CG2 ILE A 18 -14.071 -4.452 -7.259 1.00 0.00 C ATOM 306 CD1 ILE A 18 -11.095 -4.034 -7.913 1.00 0.00 C ATOM 0 H ILE A 18 -11.759 -3.534 -4.108 1.00 0.00 H new ATOM 0 HA ILE A 18 -13.910 -2.319 -5.420 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.627 -5.052 -5.815 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.261 -2.381 -7.240 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.163 -3.026 -6.036 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -13.608 -5.019 -8.067 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -14.861 -5.049 -6.803 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.497 -3.532 -7.659 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.301 -3.391 -8.292 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.659 -4.945 -7.503 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.774 -4.290 -8.726 1.00 0.00 H new ATOM 318 N TYR A 19 -14.713 -5.016 -3.685 1.00 0.00 N ATOM 319 CA TYR A 19 -15.818 -5.719 -3.048 1.00 0.00 C ATOM 320 C TYR A 19 -16.603 -4.767 -2.127 1.00 0.00 C ATOM 321 O TYR A 19 -17.850 -4.726 -2.155 1.00 0.00 O ATOM 322 CB TYR A 19 -15.283 -6.931 -2.261 1.00 0.00 C ATOM 323 CG TYR A 19 -16.299 -7.594 -1.352 1.00 0.00 C ATOM 324 CD1 TYR A 19 -17.298 -8.419 -1.853 1.00 0.00 C ATOM 325 CD2 TYR A 19 -16.255 -7.382 0.019 1.00 0.00 C ATOM 326 CE1 TYR A 19 -18.224 -9.007 -1.008 1.00 0.00 C ATOM 327 CE2 TYR A 19 -17.168 -7.964 0.862 1.00 0.00 C ATOM 328 CZ TYR A 19 -18.152 -8.773 0.350 1.00 0.00 C ATOM 329 OH TYR A 19 -19.079 -9.342 1.203 1.00 0.00 O ATOM 0 H TYR A 19 -13.792 -5.386 -3.450 1.00 0.00 H new ATOM 0 HA TYR A 19 -16.501 -6.079 -3.817 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.911 -7.672 -2.969 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -14.432 -6.610 -1.660 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -17.353 -8.604 -2.916 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -15.486 -6.746 0.431 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -18.998 -9.645 -1.409 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -17.113 -7.786 1.926 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.882 -9.075 2.125 1.00 0.00 H new ATOM 339 N LEU A 20 -15.875 -3.994 -1.340 1.00 0.00 N ATOM 340 CA LEU A 20 -16.473 -3.049 -0.412 1.00 0.00 C ATOM 341 C LEU A 20 -17.246 -1.967 -1.154 1.00 0.00 C ATOM 342 O LEU A 20 -18.343 -1.614 -0.761 1.00 0.00 O ATOM 343 CB LEU A 20 -15.416 -2.419 0.507 1.00 0.00 C ATOM 344 CG LEU A 20 -14.612 -3.382 1.396 1.00 0.00 C ATOM 345 CD1 LEU A 20 -13.622 -2.619 2.251 1.00 0.00 C ATOM 346 CD2 LEU A 20 -15.527 -4.218 2.270 1.00 0.00 C ATOM 0 H LEU A 20 -14.855 -4.003 -1.326 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.173 -3.605 0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.714 -1.862 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.914 -1.695 1.152 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.061 -4.057 0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.063 -3.319 2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.931 -2.073 1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.158 -1.916 2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.928 -4.889 2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.115 -3.563 2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -16.196 -4.804 1.640 1.00 0.00 H new ATOM 358 N VAL A 21 -16.679 -1.470 -2.234 1.00 0.00 N ATOM 359 CA VAL A 21 -17.312 -0.455 -3.073 1.00 0.00 C ATOM 360 C VAL A 21 -18.630 -0.967 -3.700 1.00 0.00 C ATOM 361 O VAL A 21 -19.577 -0.199 -3.908 1.00 0.00 O ATOM 362 CB VAL A 21 -16.327 0.115 -4.155 1.00 0.00 C ATOM 363 CG1 VAL A 21 -17.027 1.066 -5.109 1.00 0.00 C ATOM 364 CG2 VAL A 21 -15.180 0.851 -3.473 1.00 0.00 C ATOM 0 H VAL A 21 -15.757 -1.757 -2.563 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.574 0.377 -2.420 1.00 0.00 H new ATOM 0 HB VAL A 21 -15.947 -0.730 -4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -16.311 1.438 -5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -17.832 0.540 -5.622 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -17.441 1.904 -4.549 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -14.500 1.244 -4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.578 1.674 -2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.641 0.162 -2.823 1.00 0.00 H new ATOM 374 N GLU A 22 -18.702 -2.242 -4.008 1.00 0.00 N ATOM 375 CA GLU A 22 -19.951 -2.799 -4.501 1.00 0.00 C ATOM 376 C GLU A 22 -21.018 -2.814 -3.397 1.00 0.00 C ATOM 377 O GLU A 22 -22.143 -2.350 -3.587 1.00 0.00 O ATOM 378 CB GLU A 22 -19.793 -4.224 -4.987 1.00 0.00 C ATOM 379 CG GLU A 22 -18.812 -4.459 -6.090 1.00 0.00 C ATOM 380 CD GLU A 22 -18.907 -5.876 -6.555 1.00 0.00 C ATOM 381 OE1 GLU A 22 -18.553 -6.799 -5.787 1.00 0.00 O ATOM 382 OE2 GLU A 22 -19.407 -6.112 -7.673 1.00 0.00 O ATOM 0 H GLU A 22 -17.931 -2.905 -3.930 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.253 -2.160 -5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -19.502 -4.842 -4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.768 -4.579 -5.320 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -19.012 -3.780 -6.919 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.801 -4.247 -5.742 1.00 0.00 H new ATOM 389 N LYS A 23 -20.642 -3.351 -2.252 1.00 0.00 N ATOM 390 CA LYS A 23 -21.580 -3.618 -1.160 1.00 0.00 C ATOM 391 C LYS A 23 -21.882 -2.392 -0.296 1.00 0.00 C ATOM 392 O LYS A 23 -23.054 -2.079 -0.036 1.00 0.00 O ATOM 393 CB LYS A 23 -21.093 -4.815 -0.300 1.00 0.00 C ATOM 394 CG LYS A 23 -21.331 -6.218 -0.919 1.00 0.00 C ATOM 395 CD LYS A 23 -20.741 -6.360 -2.321 1.00 0.00 C ATOM 396 CE LYS A 23 -21.038 -7.712 -2.942 1.00 0.00 C ATOM 397 NZ LYS A 23 -20.684 -7.754 -4.385 1.00 0.00 N ATOM 0 H LYS A 23 -19.679 -3.617 -2.045 1.00 0.00 H new ATOM 0 HA LYS A 23 -22.528 -3.884 -1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -20.026 -4.695 -0.112 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.594 -4.773 0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -20.893 -6.975 -0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -22.402 -6.414 -0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -21.141 -5.574 -2.961 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.662 -6.215 -2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -20.483 -8.485 -2.410 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -22.097 -7.941 -2.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -20.609 -8.744 -4.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -21.422 -7.273 -4.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -19.773 -7.275 -4.533 1.00 0.00 H new ATOM 411 N TYR A 24 -20.857 -1.700 0.119 1.00 0.00 N ATOM 412 CA TYR A 24 -21.011 -0.519 0.945 1.00 0.00 C ATOM 413 C TYR A 24 -20.925 0.703 0.073 1.00 0.00 C ATOM 414 O TYR A 24 -21.694 1.654 0.219 1.00 0.00 O ATOM 415 CB TYR A 24 -19.907 -0.434 2.013 1.00 0.00 C ATOM 416 CG TYR A 24 -19.845 -1.598 2.971 1.00 0.00 C ATOM 417 CD1 TYR A 24 -20.710 -1.679 4.048 1.00 0.00 C ATOM 418 CD2 TYR A 24 -18.905 -2.604 2.807 1.00 0.00 C ATOM 419 CE1 TYR A 24 -20.644 -2.731 4.935 1.00 0.00 C ATOM 420 CE2 TYR A 24 -18.834 -3.663 3.690 1.00 0.00 C ATOM 421 CZ TYR A 24 -19.705 -3.721 4.751 1.00 0.00 C ATOM 422 OH TYR A 24 -19.637 -4.771 5.639 1.00 0.00 O ATOM 0 H TYR A 24 -19.889 -1.933 -0.102 1.00 0.00 H new ATOM 0 HA TYR A 24 -21.978 -0.577 1.445 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -18.944 -0.347 1.510 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -20.050 0.481 2.588 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -21.449 -0.905 4.196 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -18.217 -2.558 1.975 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -21.326 -2.779 5.771 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -18.098 -4.441 3.548 1.00 0.00 H new ATOM 0 HH TYR A 24 -18.922 -5.384 5.367 1.00 0.00 H new ATOM 432 N GLY A 25 -19.994 0.664 -0.837 1.00 0.00 N ATOM 433 CA GLY A 25 -19.763 1.766 -1.701 1.00 0.00 C ATOM 434 C GLY A 25 -18.785 2.683 -1.077 1.00 0.00 C ATOM 435 O GLY A 25 -17.720 2.257 -0.631 1.00 0.00 O ATOM 0 H GLY A 25 -19.379 -0.135 -0.994 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -19.388 1.416 -2.663 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -20.698 2.292 -1.896 1.00 0.00 H new ATOM 439 N PHE A 26 -19.134 3.910 -1.033 1.00 0.00 N ATOM 440 CA PHE A 26 -18.373 4.891 -0.354 1.00 0.00 C ATOM 441 C PHE A 26 -19.179 5.349 0.838 1.00 0.00 C ATOM 442 O PHE A 26 -20.040 4.599 1.289 1.00 0.00 O ATOM 443 CB PHE A 26 -17.953 6.024 -1.291 1.00 0.00 C ATOM 444 CG PHE A 26 -16.780 5.635 -2.148 1.00 0.00 C ATOM 445 CD1 PHE A 26 -15.487 5.856 -1.695 1.00 0.00 C ATOM 446 CD2 PHE A 26 -16.958 5.029 -3.378 1.00 0.00 C ATOM 447 CE1 PHE A 26 -14.396 5.485 -2.452 1.00 0.00 C ATOM 448 CE2 PHE A 26 -15.867 4.657 -4.142 1.00 0.00 C ATOM 449 CZ PHE A 26 -14.587 4.882 -3.678 1.00 0.00 C ATOM 0 H PHE A 26 -19.977 4.273 -1.478 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.431 4.476 0.004 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -18.793 6.299 -1.928 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.697 6.906 -0.703 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.333 6.326 -0.735 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -17.957 4.845 -3.745 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.396 5.666 -2.087 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.017 4.189 -5.104 1.00 0.00 H new ATOM 0 HZ PHE A 26 -13.736 4.586 -4.274 1.00 0.00 H new ATOM 459 N THR A 27 -18.904 6.538 1.367 1.00 0.00 N ATOM 460 CA THR A 27 -19.502 7.094 2.602 1.00 0.00 C ATOM 461 C THR A 27 -19.048 6.333 3.865 1.00 0.00 C ATOM 462 O THR A 27 -18.752 6.946 4.897 1.00 0.00 O ATOM 463 CB THR A 27 -21.066 7.291 2.568 1.00 0.00 C ATOM 464 OG1 THR A 27 -21.786 6.044 2.463 1.00 0.00 O ATOM 465 CG2 THR A 27 -21.476 8.204 1.423 1.00 0.00 C ATOM 0 H THR A 27 -18.233 7.175 0.938 1.00 0.00 H new ATOM 0 HA THR A 27 -19.102 8.107 2.653 1.00 0.00 H new ATOM 0 HB THR A 27 -21.331 7.751 3.520 1.00 0.00 H new ATOM 0 HG1 THR A 27 -21.148 5.303 2.388 1.00 0.00 H new ATOM 0 HG21 THR A 27 -22.559 8.323 1.423 1.00 0.00 H new ATOM 0 HG22 THR A 27 -21.004 9.179 1.548 1.00 0.00 H new ATOM 0 HG23 THR A 27 -21.159 7.766 0.477 1.00 0.00 H new ATOM 473 N HIS A 28 -18.975 5.010 3.753 1.00 0.00 N ATOM 474 CA HIS A 28 -18.500 4.138 4.795 1.00 0.00 C ATOM 475 C HIS A 28 -17.031 4.492 5.079 1.00 0.00 C ATOM 476 O HIS A 28 -16.151 4.347 4.211 1.00 0.00 O ATOM 477 CB HIS A 28 -18.673 2.667 4.340 1.00 0.00 C ATOM 478 CG HIS A 28 -18.345 1.621 5.374 1.00 0.00 C ATOM 479 ND1 HIS A 28 -17.156 1.106 5.736 1.00 0.00 N flip ATOM 480 CD2 HIS A 28 -19.284 0.952 6.130 1.00 0.00 C flip ATOM 481 CE1 HIS A 28 -17.344 0.130 6.698 1.00 0.00 C flip ATOM 482 NE2 HIS A 28 -18.644 0.078 6.903 1.00 0.00 N flip ATOM 0 H HIS A 28 -19.255 4.512 2.908 1.00 0.00 H new ATOM 0 HA HIS A 28 -19.068 4.263 5.717 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -19.705 2.524 4.020 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -18.042 2.499 3.467 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -20.352 1.110 6.100 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -16.583 -0.465 7.181 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -19.100 -0.549 7.566 1.00 0.00 H new ATOM 490 N HIS A 29 -16.800 4.959 6.277 1.00 0.00 N ATOM 491 CA HIS A 29 -15.532 5.523 6.710 1.00 0.00 C ATOM 492 C HIS A 29 -14.370 4.547 6.598 1.00 0.00 C ATOM 493 O HIS A 29 -13.251 4.953 6.256 1.00 0.00 O ATOM 494 CB HIS A 29 -15.645 6.088 8.133 1.00 0.00 C ATOM 495 CG HIS A 29 -16.685 7.171 8.285 1.00 0.00 C ATOM 496 ND1 HIS A 29 -16.458 8.502 8.015 1.00 0.00 N ATOM 497 CD2 HIS A 29 -17.979 7.093 8.693 1.00 0.00 C ATOM 498 CE1 HIS A 29 -17.579 9.178 8.260 1.00 0.00 C ATOM 499 NE2 HIS A 29 -18.543 8.369 8.678 1.00 0.00 N ATOM 0 H HIS A 29 -17.509 4.961 7.010 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.307 6.340 6.024 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -15.881 5.274 8.818 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -14.675 6.486 8.433 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.490 6.187 8.983 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -17.689 10.245 8.135 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -19.496 8.626 8.935 1.00 0.00 H new ATOM 507 N LYS A 30 -14.623 3.265 6.849 1.00 0.00 N ATOM 508 CA LYS A 30 -13.567 2.260 6.736 1.00 0.00 C ATOM 509 C LYS A 30 -13.055 2.179 5.301 1.00 0.00 C ATOM 510 O LYS A 30 -11.852 2.193 5.075 1.00 0.00 O ATOM 511 CB LYS A 30 -14.025 0.875 7.216 1.00 0.00 C ATOM 512 CG LYS A 30 -14.453 0.810 8.675 1.00 0.00 C ATOM 513 CD LYS A 30 -13.317 1.178 9.612 1.00 0.00 C ATOM 514 CE LYS A 30 -13.747 1.057 11.061 1.00 0.00 C ATOM 515 NZ LYS A 30 -12.668 1.429 11.995 1.00 0.00 N ATOM 0 H LYS A 30 -15.534 2.901 7.128 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.754 2.578 7.389 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.858 0.548 6.594 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.213 0.166 7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.292 1.486 8.838 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -14.804 -0.196 8.907 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.463 0.527 9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.990 2.198 9.410 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.613 1.696 11.236 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.061 0.033 11.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.007 1.331 12.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.850 0.804 11.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.385 2.415 11.824 1.00 0.00 H new ATOM 529 N VAL A 31 -13.982 2.179 4.342 1.00 0.00 N ATOM 530 CA VAL A 31 -13.652 2.101 2.911 1.00 0.00 C ATOM 531 C VAL A 31 -12.773 3.282 2.530 1.00 0.00 C ATOM 532 O VAL A 31 -11.731 3.125 1.886 1.00 0.00 O ATOM 533 CB VAL A 31 -14.938 2.099 2.020 1.00 0.00 C ATOM 534 CG1 VAL A 31 -14.590 2.092 0.534 1.00 0.00 C ATOM 535 CG2 VAL A 31 -15.817 0.904 2.348 1.00 0.00 C ATOM 0 H VAL A 31 -14.983 2.233 4.531 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.122 1.164 2.738 1.00 0.00 H new ATOM 0 HB VAL A 31 -15.485 3.016 2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.507 2.091 -0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.005 2.980 0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -14.008 1.200 0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.706 0.922 1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -15.262 -0.016 2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.115 0.948 3.396 1.00 0.00 H new ATOM 545 N ILE A 32 -13.168 4.447 2.995 1.00 0.00 N ATOM 546 CA ILE A 32 -12.441 5.674 2.737 1.00 0.00 C ATOM 547 C ILE A 32 -11.030 5.586 3.346 1.00 0.00 C ATOM 548 O ILE A 32 -10.033 5.884 2.685 1.00 0.00 O ATOM 549 CB ILE A 32 -13.191 6.897 3.330 1.00 0.00 C ATOM 550 CG1 ILE A 32 -14.622 6.965 2.767 1.00 0.00 C ATOM 551 CG2 ILE A 32 -12.434 8.188 3.014 1.00 0.00 C ATOM 552 CD1 ILE A 32 -15.480 8.057 3.375 1.00 0.00 C ATOM 0 H ILE A 32 -14.005 4.572 3.565 1.00 0.00 H new ATOM 0 HA ILE A 32 -12.364 5.805 1.658 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.246 6.783 4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.569 7.118 1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.110 6.004 2.929 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.971 9.037 3.436 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.435 8.139 3.447 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.356 8.309 1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -16.471 8.035 2.923 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.568 7.895 4.449 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -15.019 9.027 3.191 1.00 0.00 H new ATOM 564 N SER A 33 -10.956 5.119 4.580 1.00 0.00 N ATOM 565 CA SER A 33 -9.695 5.006 5.293 1.00 0.00 C ATOM 566 C SER A 33 -8.746 3.986 4.624 1.00 0.00 C ATOM 567 O SER A 33 -7.521 4.201 4.573 1.00 0.00 O ATOM 568 CB SER A 33 -9.961 4.643 6.757 1.00 0.00 C ATOM 569 OG SER A 33 -10.855 5.586 7.344 1.00 0.00 O ATOM 0 H SER A 33 -11.766 4.808 5.115 1.00 0.00 H new ATOM 0 HA SER A 33 -9.191 5.972 5.255 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.386 3.641 6.819 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.023 4.627 7.311 1.00 0.00 H new ATOM 0 HG SER A 33 -11.776 5.365 7.092 1.00 0.00 H new ATOM 575 N PHE A 34 -9.308 2.904 4.085 1.00 0.00 N ATOM 576 CA PHE A 34 -8.502 1.888 3.408 1.00 0.00 C ATOM 577 C PHE A 34 -7.995 2.426 2.078 1.00 0.00 C ATOM 578 O PHE A 34 -6.846 2.197 1.706 1.00 0.00 O ATOM 579 CB PHE A 34 -9.282 0.578 3.171 1.00 0.00 C ATOM 580 CG PHE A 34 -9.850 -0.087 4.405 1.00 0.00 C ATOM 581 CD1 PHE A 34 -9.228 0.024 5.641 1.00 0.00 C ATOM 582 CD2 PHE A 34 -11.024 -0.819 4.317 1.00 0.00 C ATOM 583 CE1 PHE A 34 -9.765 -0.582 6.758 1.00 0.00 C ATOM 584 CE2 PHE A 34 -11.567 -1.425 5.433 1.00 0.00 C ATOM 585 CZ PHE A 34 -10.937 -1.307 6.655 1.00 0.00 C ATOM 0 H PHE A 34 -10.309 2.709 4.103 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.662 1.657 4.064 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -10.102 0.786 2.484 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.621 -0.130 2.672 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.313 0.591 5.729 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -11.521 -0.917 3.363 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.269 -0.490 7.713 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.483 -1.990 5.349 1.00 0.00 H new ATOM 0 HZ PHE A 34 -11.359 -1.780 7.529 1.00 0.00 H new ATOM 595 N SER A 35 -8.843 3.178 1.383 1.00 0.00 N ATOM 596 CA SER A 35 -8.474 3.772 0.105 1.00 0.00 C ATOM 597 C SER A 35 -7.330 4.785 0.303 1.00 0.00 C ATOM 598 O SER A 35 -6.461 4.958 -0.568 1.00 0.00 O ATOM 599 CB SER A 35 -9.707 4.423 -0.564 1.00 0.00 C ATOM 600 OG SER A 35 -9.425 4.853 -1.893 1.00 0.00 O ATOM 0 H SER A 35 -9.794 3.390 1.686 1.00 0.00 H new ATOM 0 HA SER A 35 -8.115 2.990 -0.564 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.530 3.709 -0.580 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.036 5.275 0.031 1.00 0.00 H new ATOM 0 HG SER A 35 -10.228 5.257 -2.283 1.00 0.00 H new ATOM 606 N GLN A 36 -7.320 5.442 1.456 1.00 0.00 N ATOM 607 CA GLN A 36 -6.244 6.359 1.791 1.00 0.00 C ATOM 608 C GLN A 36 -4.938 5.605 1.986 1.00 0.00 C ATOM 609 O GLN A 36 -3.882 6.049 1.531 1.00 0.00 O ATOM 610 CB GLN A 36 -6.564 7.163 3.037 1.00 0.00 C ATOM 611 CG GLN A 36 -7.762 8.073 2.902 1.00 0.00 C ATOM 612 CD GLN A 36 -8.006 8.889 4.142 1.00 0.00 C ATOM 613 OE1 GLN A 36 -9.240 9.197 4.393 1.00 0.00 O flip ATOM 614 NE2 GLN A 36 -7.076 9.232 4.877 1.00 0.00 N flip ATOM 0 H GLN A 36 -8.043 5.356 2.171 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.136 7.052 0.956 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.737 6.475 3.864 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.694 7.765 3.300 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.613 8.742 2.054 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.647 7.474 2.684 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.118 8.969 4.644 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.265 9.778 5.717 1.00 0.00 H new ATOM 623 N GLU A 37 -5.021 4.445 2.626 1.00 0.00 N ATOM 624 CA GLU A 37 -3.846 3.641 2.886 1.00 0.00 C ATOM 625 C GLU A 37 -3.310 3.095 1.578 1.00 0.00 C ATOM 626 O GLU A 37 -2.111 3.126 1.346 1.00 0.00 O ATOM 627 CB GLU A 37 -4.157 2.502 3.860 1.00 0.00 C ATOM 628 CG GLU A 37 -2.928 1.702 4.275 1.00 0.00 C ATOM 629 CD GLU A 37 -3.249 0.593 5.239 1.00 0.00 C ATOM 630 OE1 GLU A 37 -3.585 0.880 6.409 1.00 0.00 O ATOM 631 OE2 GLU A 37 -3.195 -0.590 4.861 1.00 0.00 O ATOM 0 H GLU A 37 -5.893 4.045 2.972 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.088 4.270 3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.629 2.916 4.751 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.880 1.829 3.400 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.459 1.280 3.386 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.201 2.374 4.731 1.00 0.00 H new ATOM 638 N LEU A 38 -4.228 2.644 0.715 1.00 0.00 N ATOM 639 CA LEU A 38 -3.902 2.124 -0.611 1.00 0.00 C ATOM 640 C LEU A 38 -3.054 3.148 -1.370 1.00 0.00 C ATOM 641 O LEU A 38 -1.943 2.842 -1.797 1.00 0.00 O ATOM 642 CB LEU A 38 -5.225 1.755 -1.367 1.00 0.00 C ATOM 643 CG LEU A 38 -5.135 1.123 -2.792 1.00 0.00 C ATOM 644 CD1 LEU A 38 -6.446 0.462 -3.142 1.00 0.00 C ATOM 645 CD2 LEU A 38 -4.843 2.170 -3.853 1.00 0.00 C ATOM 0 H LEU A 38 -5.226 2.631 0.923 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.310 1.213 -0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.782 1.063 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.822 2.664 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.322 0.397 -2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.378 0.023 -4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.665 -0.320 -2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.243 1.205 -3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.788 1.692 -4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.639 2.915 -3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.893 2.656 -3.633 1.00 0.00 H new ATOM 657 N ASP A 39 -3.552 4.378 -1.454 1.00 0.00 N ATOM 658 CA ASP A 39 -2.841 5.478 -2.137 1.00 0.00 C ATOM 659 C ASP A 39 -1.455 5.694 -1.544 1.00 0.00 C ATOM 660 O ASP A 39 -0.463 5.861 -2.274 1.00 0.00 O ATOM 661 CB ASP A 39 -3.641 6.783 -2.038 1.00 0.00 C ATOM 662 CG ASP A 39 -2.907 7.958 -2.654 1.00 0.00 C ATOM 663 OD1 ASP A 39 -3.052 8.197 -3.871 1.00 0.00 O ATOM 664 OD2 ASP A 39 -2.153 8.648 -1.944 1.00 0.00 O ATOM 0 H ASP A 39 -4.452 4.649 -1.057 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.735 5.195 -3.184 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.602 6.656 -2.537 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.852 6.998 -0.991 1.00 0.00 H new ATOM 669 N ARG A 40 -1.375 5.647 -0.232 1.00 0.00 N ATOM 670 CA ARG A 40 -0.123 5.859 0.446 1.00 0.00 C ATOM 671 C ARG A 40 0.844 4.702 0.267 1.00 0.00 C ATOM 672 O ARG A 40 2.054 4.901 0.272 1.00 0.00 O ATOM 673 CB ARG A 40 -0.308 6.249 1.910 1.00 0.00 C ATOM 674 CG ARG A 40 -0.978 7.610 2.099 1.00 0.00 C ATOM 675 CD ARG A 40 -0.303 8.668 1.228 1.00 0.00 C ATOM 676 NE ARG A 40 -0.719 10.038 1.540 1.00 0.00 N ATOM 677 CZ ARG A 40 -0.850 11.017 0.623 1.00 0.00 C ATOM 678 NH1 ARG A 40 -1.078 10.724 -0.655 1.00 0.00 N ATOM 679 NH2 ARG A 40 -0.865 12.279 1.009 1.00 0.00 N ATOM 0 H ARG A 40 -2.167 5.463 0.384 1.00 0.00 H new ATOM 0 HA ARG A 40 0.342 6.717 -0.040 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.906 5.486 2.408 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.665 6.261 2.400 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.035 7.540 1.842 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.924 7.905 3.147 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.778 8.589 1.347 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.524 8.460 0.181 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.922 10.265 2.513 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.155 9.750 -0.949 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.175 11.473 -1.340 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.778 12.511 1.998 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.964 13.023 0.318 1.00 0.00 H new ATOM 693 N LEU A 41 0.317 3.507 0.096 1.00 0.00 N ATOM 694 CA LEU A 41 1.144 2.345 -0.206 1.00 0.00 C ATOM 695 C LEU A 41 1.781 2.531 -1.587 1.00 0.00 C ATOM 696 O LEU A 41 2.944 2.188 -1.802 1.00 0.00 O ATOM 697 CB LEU A 41 0.329 1.048 -0.150 1.00 0.00 C ATOM 698 CG LEU A 41 -0.287 0.667 1.205 1.00 0.00 C ATOM 699 CD1 LEU A 41 -1.130 -0.593 1.073 1.00 0.00 C ATOM 700 CD2 LEU A 41 0.794 0.466 2.262 1.00 0.00 C ATOM 0 H LEU A 41 -0.682 3.309 0.160 1.00 0.00 H new ATOM 0 HA LEU A 41 1.927 2.262 0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.478 1.124 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.973 0.229 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.929 1.489 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.558 -0.848 2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.933 -0.420 0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.504 -1.415 0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.330 0.197 3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.466 -0.333 1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.360 1.390 2.384 1.00 0.00 H new ATOM 712 N LEU A 42 1.014 3.122 -2.510 1.00 0.00 N ATOM 713 CA LEU A 42 1.542 3.488 -3.825 1.00 0.00 C ATOM 714 C LEU A 42 2.667 4.507 -3.673 1.00 0.00 C ATOM 715 O LEU A 42 3.685 4.416 -4.338 1.00 0.00 O ATOM 716 CB LEU A 42 0.449 4.047 -4.772 1.00 0.00 C ATOM 717 CG LEU A 42 -0.392 3.049 -5.593 1.00 0.00 C ATOM 718 CD1 LEU A 42 0.477 2.122 -6.414 1.00 0.00 C ATOM 719 CD2 LEU A 42 -1.345 2.271 -4.733 1.00 0.00 C ATOM 0 H LEU A 42 0.031 3.355 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 42 1.927 2.575 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.237 4.643 -4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.933 4.728 -5.472 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.988 3.644 -6.285 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.155 1.435 -6.977 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.082 2.708 -7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.130 1.554 -5.752 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.916 1.581 -5.355 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.785 1.708 -3.986 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.027 2.958 -4.233 1.00 0.00 H new ATOM 731 N ASN A 43 2.491 5.450 -2.744 1.00 0.00 N ATOM 732 CA ASN A 43 3.516 6.487 -2.464 1.00 0.00 C ATOM 733 C ASN A 43 4.800 5.870 -1.941 1.00 0.00 C ATOM 734 O ASN A 43 5.898 6.411 -2.128 1.00 0.00 O ATOM 735 CB ASN A 43 3.010 7.565 -1.482 1.00 0.00 C ATOM 736 CG ASN A 43 2.041 8.579 -2.089 1.00 0.00 C ATOM 737 OD1 ASN A 43 1.290 8.191 -3.084 1.00 0.00 O flip ATOM 738 ND2 ASN A 43 1.983 9.722 -1.652 1.00 0.00 N flip ATOM 0 H ASN A 43 1.653 5.526 -2.168 1.00 0.00 H new ATOM 0 HA ASN A 43 3.723 6.976 -3.416 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.519 7.071 -0.643 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.869 8.101 -1.078 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.580 10.001 -0.874 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.338 10.394 -2.066 1.00 0.00 H new ATOM 745 N LEU A 44 4.666 4.734 -1.298 1.00 0.00 N ATOM 746 CA LEU A 44 5.809 4.009 -0.805 1.00 0.00 C ATOM 747 C LEU A 44 6.550 3.375 -1.982 1.00 0.00 C ATOM 748 O LEU A 44 7.769 3.415 -2.042 1.00 0.00 O ATOM 749 CB LEU A 44 5.380 2.949 0.212 1.00 0.00 C ATOM 750 CG LEU A 44 4.619 3.458 1.446 1.00 0.00 C ATOM 751 CD1 LEU A 44 4.219 2.303 2.341 1.00 0.00 C ATOM 752 CD2 LEU A 44 5.448 4.463 2.224 1.00 0.00 C ATOM 0 H LEU A 44 3.768 4.291 -1.104 1.00 0.00 H new ATOM 0 HA LEU A 44 6.481 4.698 -0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.753 2.218 -0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.271 2.422 0.553 1.00 0.00 H new ATOM 0 HG LEU A 44 3.716 3.959 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.681 2.685 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.575 1.619 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.112 1.773 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.884 4.806 3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.373 3.992 2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.683 5.314 1.584 1.00 0.00 H new ATOM 764 N LEU A 45 5.798 2.843 -2.945 1.00 0.00 N ATOM 765 CA LEU A 45 6.394 2.260 -4.152 1.00 0.00 C ATOM 766 C LEU A 45 7.094 3.325 -4.965 1.00 0.00 C ATOM 767 O LEU A 45 8.163 3.088 -5.516 1.00 0.00 O ATOM 768 CB LEU A 45 5.353 1.580 -5.029 1.00 0.00 C ATOM 769 CG LEU A 45 4.661 0.351 -4.463 1.00 0.00 C ATOM 770 CD1 LEU A 45 3.651 -0.142 -5.461 1.00 0.00 C ATOM 771 CD2 LEU A 45 5.670 -0.749 -4.158 1.00 0.00 C ATOM 0 H LEU A 45 4.779 2.802 -2.916 1.00 0.00 H new ATOM 0 HA LEU A 45 7.112 1.511 -3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.587 2.315 -5.275 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.834 1.295 -5.965 1.00 0.00 H new ATOM 0 HG LEU A 45 4.164 0.620 -3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.148 -1.024 -5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.916 0.640 -5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.155 -0.400 -6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.150 -1.618 -3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.189 -1.030 -5.074 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.393 -0.387 -3.427 1.00 0.00 H new ATOM 783 N ILE A 46 6.491 4.508 -5.016 1.00 0.00 N ATOM 784 CA ILE A 46 7.061 5.660 -5.717 1.00 0.00 C ATOM 785 C ILE A 46 8.438 6.007 -5.128 1.00 0.00 C ATOM 786 O ILE A 46 9.344 6.432 -5.838 1.00 0.00 O ATOM 787 CB ILE A 46 6.108 6.898 -5.649 1.00 0.00 C ATOM 788 CG1 ILE A 46 4.756 6.555 -6.299 1.00 0.00 C ATOM 789 CG2 ILE A 46 6.733 8.118 -6.338 1.00 0.00 C ATOM 790 CD1 ILE A 46 3.710 7.650 -6.197 1.00 0.00 C ATOM 0 H ILE A 46 5.592 4.698 -4.573 1.00 0.00 H new ATOM 0 HA ILE A 46 7.181 5.393 -6.767 1.00 0.00 H new ATOM 0 HB ILE A 46 5.950 7.149 -4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.922 6.326 -7.352 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.363 5.651 -5.834 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.047 8.963 -6.274 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.671 8.374 -5.845 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.926 7.885 -7.385 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.791 7.321 -6.682 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.510 7.866 -5.147 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.077 8.551 -6.689 1.00 0.00 H new ATOM 802 N GLU A 47 8.601 5.763 -3.848 1.00 0.00 N ATOM 803 CA GLU A 47 9.859 6.015 -3.177 1.00 0.00 C ATOM 804 C GLU A 47 10.926 5.034 -3.700 1.00 0.00 C ATOM 805 O GLU A 47 12.070 5.416 -3.938 1.00 0.00 O ATOM 806 CB GLU A 47 9.669 5.883 -1.673 1.00 0.00 C ATOM 807 CG GLU A 47 10.843 6.344 -0.848 1.00 0.00 C ATOM 808 CD GLU A 47 10.576 6.204 0.615 1.00 0.00 C ATOM 809 OE1 GLU A 47 9.744 6.950 1.151 1.00 0.00 O ATOM 810 OE2 GLU A 47 11.197 5.328 1.266 1.00 0.00 O ATOM 0 H GLU A 47 7.871 5.386 -3.244 1.00 0.00 H new ATOM 0 HA GLU A 47 10.199 7.029 -3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.789 6.455 -1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.463 4.839 -1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.726 5.763 -1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.065 7.386 -1.080 1.00 0.00 H new ATOM 817 N LEU A 48 10.521 3.784 -3.925 1.00 0.00 N ATOM 818 CA LEU A 48 11.411 2.770 -4.499 1.00 0.00 C ATOM 819 C LEU A 48 11.686 3.080 -5.971 1.00 0.00 C ATOM 820 O LEU A 48 12.794 2.849 -6.468 1.00 0.00 O ATOM 821 CB LEU A 48 10.864 1.326 -4.333 1.00 0.00 C ATOM 822 CG LEU A 48 10.993 0.653 -2.937 1.00 0.00 C ATOM 823 CD1 LEU A 48 12.446 0.583 -2.490 1.00 0.00 C ATOM 824 CD2 LEU A 48 10.138 1.336 -1.882 1.00 0.00 C ATOM 0 H LEU A 48 9.581 3.447 -3.719 1.00 0.00 H new ATOM 0 HA LEU A 48 12.347 2.813 -3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.808 1.336 -4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.372 0.691 -5.058 1.00 0.00 H new ATOM 0 HG LEU A 48 10.617 -0.364 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.503 0.108 -1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 48 13.021 0.001 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.857 1.591 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.264 0.828 -0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.445 2.377 -1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.090 1.294 -2.180 1.00 0.00 H new ATOM 836 N LYS A 49 10.678 3.619 -6.650 1.00 0.00 N ATOM 837 CA LYS A 49 10.809 4.086 -8.036 1.00 0.00 C ATOM 838 C LYS A 49 11.881 5.154 -8.113 1.00 0.00 C ATOM 839 O LYS A 49 12.719 5.140 -8.999 1.00 0.00 O ATOM 840 CB LYS A 49 9.488 4.687 -8.529 1.00 0.00 C ATOM 841 CG LYS A 49 8.342 3.703 -8.716 1.00 0.00 C ATOM 842 CD LYS A 49 8.520 2.825 -9.953 1.00 0.00 C ATOM 843 CE LYS A 49 8.503 3.650 -11.252 1.00 0.00 C ATOM 844 NZ LYS A 49 7.266 4.461 -11.400 1.00 0.00 N ATOM 0 H LYS A 49 9.745 3.747 -6.259 1.00 0.00 H new ATOM 0 HA LYS A 49 11.075 3.234 -8.661 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.172 5.453 -7.821 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.671 5.188 -9.480 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.264 3.069 -7.833 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.405 4.253 -8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.463 2.283 -9.880 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.725 2.080 -9.986 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.370 4.311 -11.270 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.597 2.978 -12.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.218 4.848 -12.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.435 3.861 -11.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.279 5.242 -10.714 1.00 0.00 H new ATOM 858 N THR A 50 11.869 6.038 -7.134 1.00 0.00 N ATOM 859 CA THR A 50 12.796 7.148 -7.048 1.00 0.00 C ATOM 860 C THR A 50 14.255 6.658 -6.846 1.00 0.00 C ATOM 861 O THR A 50 15.215 7.358 -7.195 1.00 0.00 O ATOM 862 CB THR A 50 12.352 8.107 -5.909 1.00 0.00 C ATOM 863 OG1 THR A 50 10.977 8.492 -6.136 1.00 0.00 O ATOM 864 CG2 THR A 50 13.210 9.367 -5.868 1.00 0.00 C ATOM 0 H THR A 50 11.202 6.004 -6.363 1.00 0.00 H new ATOM 0 HA THR A 50 12.779 7.693 -7.992 1.00 0.00 H new ATOM 0 HB THR A 50 12.465 7.584 -4.959 1.00 0.00 H new ATOM 0 HG1 THR A 50 10.381 7.793 -5.795 1.00 0.00 H new ATOM 0 HG21 THR A 50 12.869 10.013 -5.059 1.00 0.00 H new ATOM 0 HG22 THR A 50 14.251 9.093 -5.699 1.00 0.00 H new ATOM 0 HG23 THR A 50 13.123 9.897 -6.816 1.00 0.00 H new ATOM 872 N LYS A 51 14.420 5.427 -6.342 1.00 0.00 N ATOM 873 CA LYS A 51 15.745 4.862 -6.139 1.00 0.00 C ATOM 874 C LYS A 51 16.308 4.436 -7.488 1.00 0.00 C ATOM 875 O LYS A 51 17.511 4.250 -7.637 1.00 0.00 O ATOM 876 CB LYS A 51 15.693 3.654 -5.188 1.00 0.00 C ATOM 877 CG LYS A 51 14.995 3.928 -3.860 1.00 0.00 C ATOM 878 CD LYS A 51 15.659 5.042 -3.075 1.00 0.00 C ATOM 879 CE LYS A 51 14.880 5.346 -1.809 1.00 0.00 C ATOM 880 NZ LYS A 51 15.480 6.446 -1.033 1.00 0.00 N ATOM 0 H LYS A 51 13.652 4.813 -6.071 1.00 0.00 H new ATOM 0 HA LYS A 51 16.386 5.617 -5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 51 15.182 2.833 -5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 51 16.711 3.321 -4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.954 4.191 -4.048 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.991 3.018 -3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 51 16.679 4.755 -2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 51 15.725 5.939 -3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.854 5.606 -2.070 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.834 4.450 -1.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.913 6.617 -0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.450 6.189 -0.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.501 7.309 -1.613 1.00 0.00 H new ATOM 894 N LYS A 52 15.383 4.254 -8.451 1.00 0.00 N ATOM 895 CA LYS A 52 15.606 3.923 -9.884 1.00 0.00 C ATOM 896 C LYS A 52 16.471 2.692 -10.178 1.00 0.00 C ATOM 897 O LYS A 52 16.702 2.346 -11.330 1.00 0.00 O ATOM 898 CB LYS A 52 15.991 5.160 -10.732 1.00 0.00 C ATOM 899 CG LYS A 52 17.263 5.890 -10.321 1.00 0.00 C ATOM 900 CD LYS A 52 17.419 7.178 -11.113 1.00 0.00 C ATOM 901 CE LYS A 52 18.690 7.929 -10.737 1.00 0.00 C ATOM 902 NZ LYS A 52 19.920 7.191 -11.114 1.00 0.00 N ATOM 0 H LYS A 52 14.389 4.339 -8.240 1.00 0.00 H new ATOM 0 HA LYS A 52 14.620 3.598 -10.217 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.098 4.844 -11.770 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.164 5.869 -10.699 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.232 6.114 -9.255 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.128 5.247 -10.487 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.435 6.949 -12.178 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.554 7.818 -10.938 1.00 0.00 H new ATOM 0 HE2 LYS A 52 18.691 8.903 -11.226 1.00 0.00 H new ATOM 0 HE3 LYS A 52 18.695 8.112 -9.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 20.751 7.793 -10.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 19.996 6.327 -10.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 19.876 6.935 -12.121 1.00 0.00 H new ATOM 916 N LYS A 53 16.877 2.004 -9.156 1.00 0.00 N ATOM 917 CA LYS A 53 17.694 0.820 -9.297 1.00 0.00 C ATOM 918 C LYS A 53 16.818 -0.420 -9.122 1.00 0.00 C ATOM 919 O LYS A 53 17.300 -1.531 -8.883 1.00 0.00 O ATOM 920 CB LYS A 53 18.799 0.841 -8.247 1.00 0.00 C ATOM 921 CG LYS A 53 18.286 0.826 -6.813 1.00 0.00 C ATOM 922 CD LYS A 53 19.427 0.681 -5.831 1.00 0.00 C ATOM 923 CE LYS A 53 18.907 0.513 -4.423 1.00 0.00 C ATOM 924 NZ LYS A 53 19.983 0.293 -3.440 1.00 0.00 N ATOM 0 H LYS A 53 16.654 2.243 -8.190 1.00 0.00 H new ATOM 0 HA LYS A 53 18.149 0.796 -10.287 1.00 0.00 H new ATOM 0 HB2 LYS A 53 19.448 -0.021 -8.400 1.00 0.00 H new ATOM 0 HB3 LYS A 53 19.411 1.731 -8.395 1.00 0.00 H new ATOM 0 HG2 LYS A 53 17.740 1.747 -6.609 1.00 0.00 H new ATOM 0 HG3 LYS A 53 17.583 0.003 -6.683 1.00 0.00 H new ATOM 0 HD2 LYS A 53 20.039 -0.179 -6.102 1.00 0.00 H new ATOM 0 HD3 LYS A 53 20.071 1.559 -5.883 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.340 1.400 -4.142 1.00 0.00 H new ATOM 0 HE3 LYS A 53 18.216 -0.330 -4.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 19.570 0.184 -2.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 20.510 -0.568 -3.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 20.629 1.108 -3.445 1.00 0.00 H new ATOM 938 N ARG A 54 15.538 -0.214 -9.255 1.00 0.00 N ATOM 939 CA ARG A 54 14.566 -1.255 -9.085 1.00 0.00 C ATOM 940 C ARG A 54 14.093 -1.780 -10.428 1.00 0.00 C ATOM 941 O ARG A 54 14.142 -1.066 -11.441 1.00 0.00 O ATOM 942 CB ARG A 54 13.416 -0.772 -8.190 1.00 0.00 C ATOM 943 CG ARG A 54 13.815 -0.623 -6.720 1.00 0.00 C ATOM 944 CD ARG A 54 14.210 -1.973 -6.118 1.00 0.00 C ATOM 945 NE ARG A 54 14.719 -1.862 -4.748 1.00 0.00 N ATOM 946 CZ ARG A 54 14.963 -2.908 -3.935 1.00 0.00 C ATOM 947 NH1 ARG A 54 14.658 -4.158 -4.312 1.00 0.00 N ATOM 948 NH2 ARG A 54 15.496 -2.700 -2.745 1.00 0.00 N ATOM 0 H ARG A 54 15.136 0.694 -9.488 1.00 0.00 H new ATOM 0 HA ARG A 54 15.031 -2.098 -8.574 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.055 0.187 -8.560 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.587 -1.475 -8.265 1.00 0.00 H new ATOM 0 HG2 ARG A 54 14.648 0.075 -6.635 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.985 -0.198 -6.156 1.00 0.00 H new ATOM 0 HD2 ARG A 54 13.344 -2.635 -6.126 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.971 -2.436 -6.746 1.00 0.00 H new ATOM 0 HE ARG A 54 14.901 -0.927 -4.384 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.236 -4.327 -5.225 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.849 -4.940 -3.686 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.721 -1.751 -2.446 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.683 -3.488 -2.125 1.00 0.00 H new ATOM 962 N TYR A 55 13.603 -3.008 -10.428 1.00 0.00 N ATOM 963 CA TYR A 55 13.237 -3.725 -11.649 1.00 0.00 C ATOM 964 C TYR A 55 12.023 -3.140 -12.340 1.00 0.00 C ATOM 965 O TYR A 55 11.716 -3.500 -13.460 1.00 0.00 O ATOM 966 CB TYR A 55 13.042 -5.218 -11.373 1.00 0.00 C ATOM 967 CG TYR A 55 14.280 -5.889 -10.824 1.00 0.00 C ATOM 968 CD1 TYR A 55 15.342 -6.227 -11.658 1.00 0.00 C ATOM 969 CD2 TYR A 55 14.394 -6.175 -9.474 1.00 0.00 C ATOM 970 CE1 TYR A 55 16.475 -6.834 -11.154 1.00 0.00 C ATOM 971 CE2 TYR A 55 15.522 -6.779 -8.966 1.00 0.00 C ATOM 972 CZ TYR A 55 16.557 -7.106 -9.805 1.00 0.00 C ATOM 973 OH TYR A 55 17.688 -7.709 -9.291 1.00 0.00 O ATOM 0 H TYR A 55 13.445 -3.545 -9.575 1.00 0.00 H new ATOM 0 HA TYR A 55 14.073 -3.603 -12.338 1.00 0.00 H new ATOM 0 HB2 TYR A 55 12.223 -5.346 -10.665 1.00 0.00 H new ATOM 0 HB3 TYR A 55 12.746 -5.716 -12.296 1.00 0.00 H new ATOM 0 HD1 TYR A 55 15.279 -6.011 -12.714 1.00 0.00 H new ATOM 0 HD2 TYR A 55 13.583 -5.920 -8.808 1.00 0.00 H new ATOM 0 HE1 TYR A 55 17.291 -7.094 -11.812 1.00 0.00 H new ATOM 0 HE2 TYR A 55 15.592 -6.995 -7.910 1.00 0.00 H new ATOM 0 HH TYR A 55 17.584 -7.829 -8.324 1.00 0.00 H new ATOM 983 N SER A 56 11.359 -2.235 -11.684 1.00 0.00 N ATOM 984 CA SER A 56 10.234 -1.544 -12.251 1.00 0.00 C ATOM 985 C SER A 56 10.695 -0.539 -13.319 1.00 0.00 C ATOM 986 O SER A 56 9.933 -0.150 -14.202 1.00 0.00 O ATOM 987 CB SER A 56 9.481 -0.872 -11.117 1.00 0.00 C ATOM 988 OG SER A 56 10.407 -0.404 -10.123 1.00 0.00 O ATOM 0 H SER A 56 11.584 -1.951 -10.730 1.00 0.00 H new ATOM 0 HA SER A 56 9.568 -2.242 -12.758 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.895 -0.037 -11.502 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.778 -1.575 -10.669 1.00 0.00 H new ATOM 0 HG SER A 56 10.469 -1.061 -9.399 1.00 0.00 H new ATOM 994 N LEU A 57 11.933 -0.094 -13.200 1.00 0.00 N ATOM 995 CA LEU A 57 12.515 0.776 -14.192 1.00 0.00 C ATOM 996 C LEU A 57 13.597 0.065 -14.988 1.00 0.00 C ATOM 997 O LEU A 57 13.830 0.379 -16.161 1.00 0.00 O ATOM 998 CB LEU A 57 13.042 2.066 -13.565 1.00 0.00 C ATOM 999 CG LEU A 57 11.980 3.013 -12.989 1.00 0.00 C ATOM 1000 CD1 LEU A 57 12.633 4.222 -12.362 1.00 0.00 C ATOM 1001 CD2 LEU A 57 10.996 3.450 -14.070 1.00 0.00 C ATOM 0 H LEU A 57 12.552 -0.324 -12.422 1.00 0.00 H new ATOM 0 HA LEU A 57 11.723 1.051 -14.889 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.737 1.802 -12.768 1.00 0.00 H new ATOM 0 HB3 LEU A 57 13.613 2.607 -14.319 1.00 0.00 H new ATOM 0 HG LEU A 57 11.429 2.472 -12.220 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.865 4.882 -11.959 1.00 0.00 H new ATOM 0 HD12 LEU A 57 13.295 3.902 -11.557 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.211 4.756 -13.117 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.254 4.120 -13.637 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.534 3.969 -14.864 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.496 2.574 -14.483 1.00 0.00 H new ATOM 1013 N LEU A 58 14.260 -0.900 -14.354 1.00 0.00 N ATOM 1014 CA LEU A 58 15.331 -1.642 -15.014 1.00 0.00 C ATOM 1015 C LEU A 58 14.775 -2.584 -16.067 1.00 0.00 C ATOM 1016 O LEU A 58 15.396 -2.803 -17.109 1.00 0.00 O ATOM 1017 CB LEU A 58 16.184 -2.436 -14.015 1.00 0.00 C ATOM 1018 CG LEU A 58 16.918 -1.638 -12.932 1.00 0.00 C ATOM 1019 CD1 LEU A 58 17.720 -2.578 -12.048 1.00 0.00 C ATOM 1020 CD2 LEU A 58 17.830 -0.586 -13.550 1.00 0.00 C ATOM 0 H LEU A 58 14.076 -1.185 -13.392 1.00 0.00 H new ATOM 0 HA LEU A 58 15.970 -0.902 -15.495 1.00 0.00 H new ATOM 0 HB2 LEU A 58 15.538 -3.161 -13.521 1.00 0.00 H new ATOM 0 HB3 LEU A 58 16.926 -3.002 -14.579 1.00 0.00 H new ATOM 0 HG LEU A 58 16.175 -1.123 -12.323 1.00 0.00 H new ATOM 0 HD11 LEU A 58 18.238 -2.003 -11.281 1.00 0.00 H new ATOM 0 HD12 LEU A 58 17.048 -3.293 -11.573 1.00 0.00 H new ATOM 0 HD13 LEU A 58 18.450 -3.114 -12.655 1.00 0.00 H new ATOM 0 HD21 LEU A 58 18.338 -0.035 -12.759 1.00 0.00 H new ATOM 0 HD22 LEU A 58 18.570 -1.073 -14.185 1.00 0.00 H new ATOM 0 HD23 LEU A 58 17.236 0.104 -14.149 1.00 0.00 H new ATOM 1032 N GLU A 59 13.608 -3.115 -15.809 1.00 0.00 N ATOM 1033 CA GLU A 59 12.970 -4.013 -16.707 1.00 0.00 C ATOM 1034 C GLU A 59 11.858 -3.280 -17.393 1.00 0.00 C ATOM 1035 O GLU A 59 10.953 -2.769 -16.745 1.00 0.00 O ATOM 1036 CB GLU A 59 12.431 -5.225 -15.958 1.00 0.00 C ATOM 1037 CG GLU A 59 13.505 -6.050 -15.273 1.00 0.00 C ATOM 1038 CD GLU A 59 14.442 -6.708 -16.253 1.00 0.00 C ATOM 1039 OE1 GLU A 59 14.044 -7.698 -16.885 1.00 0.00 O ATOM 1040 OE2 GLU A 59 15.603 -6.279 -16.382 1.00 0.00 O ATOM 0 H GLU A 59 13.077 -2.928 -14.958 1.00 0.00 H new ATOM 0 HA GLU A 59 13.687 -4.374 -17.445 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.713 -4.888 -15.210 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.889 -5.861 -16.658 1.00 0.00 H new ATOM 0 HG2 GLU A 59 14.078 -5.410 -14.602 1.00 0.00 H new ATOM 0 HG3 GLU A 59 13.033 -6.815 -14.657 1.00 0.00 H new ATOM 1047 N HIS A 60 11.967 -3.172 -18.682 1.00 0.00 N ATOM 1048 CA HIS A 60 10.962 -2.500 -19.487 1.00 0.00 C ATOM 1049 C HIS A 60 9.632 -3.251 -19.453 1.00 0.00 C ATOM 1050 O HIS A 60 9.532 -4.391 -19.911 1.00 0.00 O ATOM 1051 CB HIS A 60 11.459 -2.236 -20.949 1.00 0.00 C ATOM 1052 CG HIS A 60 12.014 -3.436 -21.703 1.00 0.00 C ATOM 1053 ND1 HIS A 60 13.362 -3.646 -21.929 1.00 0.00 N ATOM 1054 CD2 HIS A 60 11.378 -4.474 -22.304 1.00 0.00 C ATOM 1055 CE1 HIS A 60 13.497 -4.768 -22.634 1.00 0.00 C ATOM 1056 NE2 HIS A 60 12.319 -5.316 -22.889 1.00 0.00 N ATOM 0 H HIS A 60 12.752 -3.544 -19.217 1.00 0.00 H new ATOM 0 HA HIS A 60 10.789 -1.520 -19.042 1.00 0.00 H new ATOM 0 HB2 HIS A 60 10.628 -1.826 -21.523 1.00 0.00 H new ATOM 0 HB3 HIS A 60 12.232 -1.468 -20.914 1.00 0.00 H new ATOM 0 HD2 HIS A 60 10.309 -4.623 -22.325 1.00 0.00 H new ATOM 0 HE1 HIS A 60 14.443 -5.177 -22.956 1.00 0.00 H new ATOM 0 HE2 HIS A 60 12.139 -6.176 -23.407 1.00 0.00 H new ATOM 1064 N HIS A 61 8.640 -2.646 -18.855 1.00 0.00 N ATOM 1065 CA HIS A 61 7.339 -3.245 -18.804 1.00 0.00 C ATOM 1066 C HIS A 61 6.259 -2.212 -19.098 1.00 0.00 C ATOM 1067 O HIS A 61 6.215 -1.143 -18.468 1.00 0.00 O ATOM 1068 CB HIS A 61 7.076 -4.002 -17.465 1.00 0.00 C ATOM 1069 CG HIS A 61 6.975 -3.160 -16.208 1.00 0.00 C ATOM 1070 ND1 HIS A 61 5.779 -2.727 -15.673 1.00 0.00 N ATOM 1071 CD2 HIS A 61 7.936 -2.719 -15.360 1.00 0.00 C ATOM 1072 CE1 HIS A 61 6.040 -2.058 -14.553 1.00 0.00 C ATOM 1073 NE2 HIS A 61 7.331 -2.021 -14.309 1.00 0.00 N ATOM 0 H HIS A 61 8.711 -1.738 -18.397 1.00 0.00 H new ATOM 0 HA HIS A 61 7.302 -4.004 -19.586 1.00 0.00 H new ATOM 0 HB2 HIS A 61 6.149 -4.566 -17.571 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.876 -4.728 -17.323 1.00 0.00 H new ATOM 0 HD1 HIS A 61 4.853 -2.892 -16.068 1.00 0.00 H new ATOM 0 HD2 HIS A 61 8.997 -2.880 -15.477 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.288 -1.604 -13.925 1.00 0.00 H new ATOM 1081 N HIS A 62 5.442 -2.533 -20.092 1.00 0.00 N ATOM 1082 CA HIS A 62 4.299 -1.742 -20.539 1.00 0.00 C ATOM 1083 C HIS A 62 4.702 -0.357 -21.067 1.00 0.00 C ATOM 1084 O HIS A 62 4.949 0.594 -20.302 1.00 0.00 O ATOM 1085 CB HIS A 62 3.202 -1.652 -19.451 1.00 0.00 C ATOM 1086 CG HIS A 62 1.949 -0.938 -19.880 1.00 0.00 C ATOM 1087 ND1 HIS A 62 1.518 0.246 -19.341 1.00 0.00 N ATOM 1088 CD2 HIS A 62 1.022 -1.281 -20.804 1.00 0.00 C ATOM 1089 CE1 HIS A 62 0.374 0.583 -19.929 1.00 0.00 C ATOM 1090 NE2 HIS A 62 0.024 -0.313 -20.829 1.00 0.00 N ATOM 0 H HIS A 62 5.561 -3.389 -20.634 1.00 0.00 H new ATOM 0 HA HIS A 62 3.870 -2.275 -21.387 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.939 -2.661 -19.135 1.00 0.00 H new ATOM 0 HB3 HIS A 62 3.614 -1.143 -18.580 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.052 -2.165 -21.423 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.193 1.473 -19.699 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.806 -0.300 -21.421 1.00 0.00 H new ATOM 1098 N HIS A 63 4.813 -0.261 -22.362 1.00 0.00 N ATOM 1099 CA HIS A 63 5.112 0.987 -22.998 1.00 0.00 C ATOM 1100 C HIS A 63 3.801 1.633 -23.395 1.00 0.00 C ATOM 1101 O HIS A 63 3.013 1.059 -24.168 1.00 0.00 O ATOM 1102 CB HIS A 63 6.010 0.770 -24.225 1.00 0.00 C ATOM 1103 CG HIS A 63 6.572 2.032 -24.811 1.00 0.00 C ATOM 1104 ND1 HIS A 63 7.779 2.570 -24.435 1.00 0.00 N ATOM 1105 CD2 HIS A 63 6.076 2.855 -25.764 1.00 0.00 C ATOM 1106 CE1 HIS A 63 7.984 3.677 -25.146 1.00 0.00 C ATOM 1107 NE2 HIS A 63 6.975 3.899 -25.978 1.00 0.00 N ATOM 0 H HIS A 63 4.699 -1.045 -23.004 1.00 0.00 H new ATOM 0 HA HIS A 63 5.656 1.638 -22.313 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.835 0.115 -23.945 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.437 0.251 -24.993 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.135 2.724 -26.277 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.855 4.309 -25.057 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.877 4.672 -26.637 1.00 0.00 H new ATOM 1115 N HIS A 64 3.544 2.781 -22.854 1.00 0.00 N ATOM 1116 CA HIS A 64 2.327 3.482 -23.121 1.00 0.00 C ATOM 1117 C HIS A 64 2.641 4.692 -23.973 1.00 0.00 C ATOM 1118 O HIS A 64 2.295 4.689 -25.159 1.00 0.00 O ATOM 1119 CB HIS A 64 1.638 3.887 -21.813 1.00 0.00 C ATOM 1120 CG HIS A 64 0.251 4.430 -21.997 1.00 0.00 C ATOM 1121 ND1 HIS A 64 -0.061 5.770 -21.999 1.00 0.00 N ATOM 1122 CD2 HIS A 64 -0.923 3.773 -22.158 1.00 0.00 C ATOM 1123 CE1 HIS A 64 -1.379 5.889 -22.155 1.00 0.00 C ATOM 1124 NE2 HIS A 64 -1.954 4.700 -22.256 1.00 0.00 N ATOM 1125 OXT HIS A 64 3.306 5.623 -23.475 1.00 0.00 O ATOM 0 H HIS A 64 4.174 3.261 -22.212 1.00 0.00 H new ATOM 0 HA HIS A 64 1.637 2.833 -23.661 1.00 0.00 H new ATOM 0 HB2 HIS A 64 1.593 3.020 -21.154 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.248 4.638 -21.311 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.039 2.700 -22.203 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.908 6.830 -22.194 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -2.947 4.505 -22.380 1.00 0.00 H new TER 1133 HIS A 64