USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 634 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 18 HIS : no HD1:sc= -3.47 K(o=-3.5,f=-4!) USER MOD Set 1.2: A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 13 LYS NZ :NH3+ -109:sc= -3.24! (180deg=-4.88!) USER MOD Set 2.2: A 16 ASN : amide:sc= -2.81 K(o=-6,f=-7.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.0183 (180deg=-0.159) USER MOD Single : A 3 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-2.6!) USER MOD Single : A 10 SER OG : rot 81:sc= 1.13 USER MOD Single : A 15 ASN : amide:sc= -0.0374 K(o=-0.037,f=-0.6) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -162:sc= -0.0269 (180deg=-0.253) USER MOD Single : A 26 HIS : no HD1:sc= -1.4 X(o=-1.4,f=-1.8) USER MOD Single : A 27 ASN : amide:sc= -0.559 K(o=-0.56,f=-2.2) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.18 F(o=-0.8,f=-0.18) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 106:sc= 1.32 USER MOD Single : A 38 GLN : amide:sc= -0.0851 X(o=-0.085,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.38) USER MOD Single : A 40 ASN :FLIP amide:sc= -1.22 F(o=-2.2,f=-1.2) USER MOD Single : A 42 SER OG : rot 180:sc= -1.24 USER MOD Single : A 47 SER OG : rot 81:sc= 0.227 USER MOD Single : A 48 HIS : no HD1:sc= -0.406 X(o=-0.41,f=-0.0043) USER MOD Single : A 49 MET CE :methyl 147:sc= -0.563 (180deg=-0.944) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.804 K(o=-0.8,f=-2.5!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc=-0.00242 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.284 -2.387 8.357 1.00 0.00 N ATOM 2 CA MET A 1 -16.588 -3.810 8.659 1.00 0.00 C ATOM 3 C MET A 1 -15.561 -4.740 8.017 1.00 0.00 C ATOM 4 O MET A 1 -15.893 -5.846 7.590 1.00 0.00 O ATOM 5 CB MET A 1 -17.993 -4.130 8.141 1.00 0.00 C ATOM 6 CG MET A 1 -18.959 -4.563 9.231 1.00 0.00 C ATOM 7 SD MET A 1 -20.685 -4.349 8.754 1.00 0.00 S ATOM 8 CE MET A 1 -21.471 -4.249 10.360 1.00 0.00 C ATOM 0 H1 MET A 1 -17.095 -1.794 8.626 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.445 -2.090 8.894 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.099 -2.280 7.339 1.00 0.00 H new ATOM 0 HA MET A 1 -16.543 -3.966 9.737 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.395 -3.250 7.639 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.924 -4.920 7.393 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.780 -5.610 9.474 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.762 -3.988 10.135 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.545 -4.116 10.232 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.283 -5.168 10.915 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.064 -3.402 10.912 1.00 0.00 H new ATOM 20 N PHE A 2 -14.315 -4.283 7.954 1.00 0.00 N ATOM 21 CA PHE A 2 -13.241 -5.075 7.364 1.00 0.00 C ATOM 22 C PHE A 2 -12.074 -5.218 8.336 1.00 0.00 C ATOM 23 O PHE A 2 -11.336 -4.264 8.583 1.00 0.00 O ATOM 24 CB PHE A 2 -12.760 -4.431 6.063 1.00 0.00 C ATOM 25 CG PHE A 2 -13.525 -4.881 4.852 1.00 0.00 C ATOM 26 CD1 PHE A 2 -14.893 -4.673 4.763 1.00 0.00 C ATOM 27 CD2 PHE A 2 -12.879 -5.513 3.802 1.00 0.00 C ATOM 28 CE1 PHE A 2 -15.600 -5.087 3.652 1.00 0.00 C ATOM 29 CE2 PHE A 2 -13.580 -5.929 2.687 1.00 0.00 C ATOM 30 CZ PHE A 2 -14.943 -5.716 2.611 1.00 0.00 C ATOM 0 H PHE A 2 -14.024 -3.370 8.303 1.00 0.00 H new ATOM 0 HA PHE A 2 -13.633 -6.068 7.146 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -12.841 -3.348 6.152 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -11.704 -4.661 5.922 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -15.412 -4.181 5.573 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -11.814 -5.683 3.856 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -16.665 -4.920 3.596 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -13.063 -6.420 1.876 1.00 0.00 H new ATOM 0 HZ PHE A 2 -15.494 -6.040 1.740 1.00 0.00 H new ATOM 40 N HIS A 3 -11.912 -6.419 8.883 1.00 0.00 N ATOM 41 CA HIS A 3 -10.834 -6.691 9.827 1.00 0.00 C ATOM 42 C HIS A 3 -9.513 -6.913 9.097 1.00 0.00 C ATOM 43 O HIS A 3 -8.442 -6.653 9.640 1.00 0.00 O ATOM 44 CB HIS A 3 -11.172 -7.917 10.677 1.00 0.00 C ATOM 45 CG HIS A 3 -11.505 -9.132 9.869 1.00 0.00 C ATOM 46 ND1 HIS A 3 -10.546 -9.953 9.313 1.00 0.00 N ATOM 47 CD2 HIS A 3 -12.700 -9.668 9.524 1.00 0.00 C ATOM 48 CE1 HIS A 3 -11.136 -10.939 8.661 1.00 0.00 C ATOM 49 NE2 HIS A 3 -12.442 -10.790 8.774 1.00 0.00 N ATOM 0 H HIS A 3 -12.514 -7.219 8.689 1.00 0.00 H new ATOM 0 HA HIS A 3 -10.727 -5.823 10.478 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -10.326 -8.143 11.326 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -12.016 -7.679 11.324 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -13.674 -9.285 9.789 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -10.634 -11.732 8.126 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -13.146 -11.408 8.370 1.00 0.00 H new ATOM 58 N GLU A 4 -9.600 -7.395 7.862 1.00 0.00 N ATOM 59 CA GLU A 4 -8.414 -7.655 7.051 1.00 0.00 C ATOM 60 C GLU A 4 -7.800 -6.360 6.517 1.00 0.00 C ATOM 61 O GLU A 4 -6.748 -6.372 5.882 1.00 0.00 O ATOM 62 CB GLU A 4 -8.765 -8.583 5.885 1.00 0.00 C ATOM 63 CG GLU A 4 -8.828 -10.051 6.274 1.00 0.00 C ATOM 64 CD GLU A 4 -9.722 -10.859 5.354 1.00 0.00 C ATOM 65 OE1 GLU A 4 -10.819 -10.371 5.012 1.00 0.00 O ATOM 66 OE2 GLU A 4 -9.323 -11.980 4.975 1.00 0.00 O ATOM 0 H GLU A 4 -10.482 -7.614 7.399 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.676 -8.138 7.691 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.728 -8.284 5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.025 -8.456 5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.822 -10.471 6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.193 -10.137 7.297 1.00 0.00 H new ATOM 73 N PHE A 5 -8.459 -5.243 6.774 1.00 0.00 N ATOM 74 CA PHE A 5 -7.971 -3.953 6.324 1.00 0.00 C ATOM 75 C PHE A 5 -7.081 -3.322 7.379 1.00 0.00 C ATOM 76 O PHE A 5 -6.253 -2.464 7.084 1.00 0.00 O ATOM 77 CB PHE A 5 -9.136 -3.027 6.001 1.00 0.00 C ATOM 78 CG PHE A 5 -9.458 -2.949 4.535 1.00 0.00 C ATOM 79 CD1 PHE A 5 -9.564 -4.101 3.772 1.00 0.00 C ATOM 80 CD2 PHE A 5 -9.651 -1.721 3.921 1.00 0.00 C ATOM 81 CE1 PHE A 5 -9.858 -4.029 2.424 1.00 0.00 C ATOM 82 CE2 PHE A 5 -9.946 -1.645 2.573 1.00 0.00 C ATOM 83 CZ PHE A 5 -10.049 -2.800 1.824 1.00 0.00 C ATOM 0 H PHE A 5 -9.336 -5.205 7.294 1.00 0.00 H new ATOM 0 HA PHE A 5 -7.383 -4.107 5.419 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -10.020 -3.368 6.540 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.905 -2.026 6.367 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -9.415 -5.065 4.236 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -9.570 -0.814 4.502 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.938 -4.934 1.840 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -10.096 -0.683 2.106 1.00 0.00 H new ATOM 0 HZ PHE A 5 -10.279 -2.743 0.770 1.00 0.00 H new ATOM 93 N ARG A 6 -7.250 -3.763 8.612 1.00 0.00 N ATOM 94 CA ARG A 6 -6.450 -3.263 9.710 1.00 0.00 C ATOM 95 C ARG A 6 -5.636 -4.401 10.296 1.00 0.00 C ATOM 96 O ARG A 6 -4.529 -4.198 10.791 1.00 0.00 O ATOM 97 CB ARG A 6 -7.335 -2.624 10.783 1.00 0.00 C ATOM 98 CG ARG A 6 -6.565 -2.136 12.000 1.00 0.00 C ATOM 99 CD ARG A 6 -6.333 -3.259 12.998 1.00 0.00 C ATOM 100 NE ARG A 6 -6.376 -2.783 14.379 1.00 0.00 N ATOM 101 CZ ARG A 6 -7.490 -2.396 14.996 1.00 0.00 C ATOM 102 NH1 ARG A 6 -8.654 -2.425 14.359 1.00 0.00 N ATOM 103 NH2 ARG A 6 -7.440 -1.980 16.254 1.00 0.00 N ATOM 0 H ARG A 6 -7.937 -4.469 8.877 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.775 -2.493 9.337 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.874 -1.784 10.344 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.083 -3.349 11.104 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.606 -1.724 11.685 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.116 -1.328 12.481 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.090 -4.031 12.857 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.365 -3.722 12.804 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.500 -2.745 14.901 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.698 -2.745 13.392 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.504 -2.127 14.837 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -6.548 -1.957 16.748 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.293 -1.683 16.727 1.00 0.00 H new ATOM 117 N ASP A 7 -6.187 -5.606 10.220 1.00 0.00 N ATOM 118 CA ASP A 7 -5.499 -6.775 10.723 1.00 0.00 C ATOM 119 C ASP A 7 -4.652 -7.405 9.632 1.00 0.00 C ATOM 120 O ASP A 7 -3.594 -7.961 9.914 1.00 0.00 O ATOM 121 CB ASP A 7 -6.489 -7.794 11.290 1.00 0.00 C ATOM 122 CG ASP A 7 -7.385 -7.197 12.358 1.00 0.00 C ATOM 123 OD1 ASP A 7 -6.885 -6.928 13.470 1.00 0.00 O ATOM 124 OD2 ASP A 7 -8.587 -6.998 12.082 1.00 0.00 O ATOM 0 H ASP A 7 -7.105 -5.793 9.816 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.842 -6.457 11.532 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.105 -8.187 10.481 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.939 -8.636 11.710 1.00 0.00 H new ATOM 129 N GLU A 8 -5.089 -7.299 8.377 1.00 0.00 N ATOM 130 CA GLU A 8 -4.301 -7.851 7.291 1.00 0.00 C ATOM 131 C GLU A 8 -3.362 -6.788 6.760 1.00 0.00 C ATOM 132 O GLU A 8 -2.299 -7.093 6.224 1.00 0.00 O ATOM 133 CB GLU A 8 -5.182 -8.411 6.174 1.00 0.00 C ATOM 134 CG GLU A 8 -4.883 -9.862 5.832 1.00 0.00 C ATOM 135 CD GLU A 8 -4.904 -10.127 4.339 1.00 0.00 C ATOM 136 OE1 GLU A 8 -4.154 -9.449 3.606 1.00 0.00 O ATOM 137 OE2 GLU A 8 -5.668 -11.013 3.905 1.00 0.00 O ATOM 0 H GLU A 8 -5.960 -6.848 8.098 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.718 -8.686 7.679 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.228 -8.324 6.469 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.052 -7.801 5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.905 -10.131 6.231 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.615 -10.505 6.321 1.00 0.00 H new ATOM 144 N ILE A 9 -3.752 -5.525 6.922 1.00 0.00 N ATOM 145 CA ILE A 9 -2.912 -4.437 6.461 1.00 0.00 C ATOM 146 C ILE A 9 -1.861 -4.078 7.497 1.00 0.00 C ATOM 147 O ILE A 9 -0.758 -3.667 7.146 1.00 0.00 O ATOM 148 CB ILE A 9 -3.732 -3.179 6.127 1.00 0.00 C ATOM 149 CG1 ILE A 9 -4.840 -3.522 5.125 1.00 0.00 C ATOM 150 CG2 ILE A 9 -2.822 -2.081 5.588 1.00 0.00 C ATOM 151 CD1 ILE A 9 -5.517 -2.312 4.513 1.00 0.00 C ATOM 0 H ILE A 9 -4.627 -5.240 7.361 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.424 -4.789 5.552 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.201 -2.808 7.038 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.417 -4.131 4.326 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.592 -4.131 5.626 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.416 -1.197 5.356 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.073 -1.828 6.339 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.325 -2.432 4.683 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.288 -2.640 3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.972 -1.712 5.301 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.779 -1.712 3.981 1.00 0.00 H new ATOM 163 N SER A 10 -2.200 -4.206 8.772 1.00 0.00 N ATOM 164 CA SER A 10 -1.252 -3.857 9.817 1.00 0.00 C ATOM 165 C SER A 10 -0.397 -5.038 10.258 1.00 0.00 C ATOM 166 O SER A 10 0.659 -4.845 10.857 1.00 0.00 O ATOM 167 CB SER A 10 -1.974 -3.251 11.020 1.00 0.00 C ATOM 168 OG SER A 10 -2.946 -2.304 10.609 1.00 0.00 O ATOM 0 H SER A 10 -3.105 -4.542 9.102 1.00 0.00 H new ATOM 0 HA SER A 10 -0.577 -3.116 9.389 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.454 -4.042 11.596 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.250 -2.771 11.678 1.00 0.00 H new ATOM 0 HG SER A 10 -3.759 -2.772 10.326 1.00 0.00 H new ATOM 174 N VAL A 11 -0.843 -6.257 9.988 1.00 0.00 N ATOM 175 CA VAL A 11 -0.072 -7.426 10.399 1.00 0.00 C ATOM 176 C VAL A 11 0.900 -7.874 9.317 1.00 0.00 C ATOM 177 O VAL A 11 2.014 -8.308 9.614 1.00 0.00 O ATOM 178 CB VAL A 11 -0.983 -8.605 10.800 1.00 0.00 C ATOM 179 CG1 VAL A 11 -0.152 -9.825 11.179 1.00 0.00 C ATOM 180 CG2 VAL A 11 -1.896 -8.204 11.949 1.00 0.00 C ATOM 0 H VAL A 11 -1.714 -6.462 9.498 1.00 0.00 H new ATOM 0 HA VAL A 11 0.501 -7.119 11.274 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.601 -8.867 9.941 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.815 -10.644 11.458 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.460 -10.127 10.329 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.494 -9.578 12.021 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.532 -9.047 12.220 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.292 -7.914 12.809 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.519 -7.363 11.643 1.00 0.00 H new ATOM 190 N LEU A 12 0.473 -7.784 8.069 1.00 0.00 N ATOM 191 CA LEU A 12 1.310 -8.199 6.952 1.00 0.00 C ATOM 192 C LEU A 12 2.156 -7.052 6.427 1.00 0.00 C ATOM 193 O LEU A 12 3.336 -7.228 6.134 1.00 0.00 O ATOM 194 CB LEU A 12 0.453 -8.757 5.821 1.00 0.00 C ATOM 195 CG LEU A 12 -0.832 -9.446 6.267 1.00 0.00 C ATOM 196 CD1 LEU A 12 -1.754 -9.681 5.080 1.00 0.00 C ATOM 197 CD2 LEU A 12 -0.517 -10.756 6.976 1.00 0.00 C ATOM 0 H LEU A 12 -0.445 -7.429 7.802 1.00 0.00 H new ATOM 0 HA LEU A 12 1.979 -8.977 7.321 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.195 -7.942 5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.050 -9.468 5.250 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.347 -8.793 6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.665 -10.174 5.419 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.007 -8.725 4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.251 -10.313 4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.446 -11.234 7.287 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.021 -11.417 6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.100 -10.556 7.852 1.00 0.00 H new ATOM 209 N LYS A 13 1.547 -5.882 6.295 1.00 0.00 N ATOM 210 CA LYS A 13 2.267 -4.719 5.781 1.00 0.00 C ATOM 211 C LYS A 13 3.246 -4.183 6.813 1.00 0.00 C ATOM 212 O LYS A 13 4.288 -3.631 6.463 1.00 0.00 O ATOM 213 CB LYS A 13 1.301 -3.614 5.351 1.00 0.00 C ATOM 214 CG LYS A 13 0.088 -4.123 4.592 1.00 0.00 C ATOM 215 CD LYS A 13 0.482 -4.761 3.266 1.00 0.00 C ATOM 216 CE LYS A 13 0.377 -6.276 3.314 1.00 0.00 C ATOM 217 NZ LYS A 13 1.715 -6.932 3.291 1.00 0.00 N ATOM 0 H LYS A 13 0.570 -5.711 6.532 1.00 0.00 H new ATOM 0 HA LYS A 13 2.828 -5.045 4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.964 -3.074 6.236 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.836 -2.899 4.726 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.444 -4.852 5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.600 -3.298 4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.160 -4.377 2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.504 -4.475 3.015 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.157 -6.573 4.217 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.212 -6.625 2.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.857 -7.398 2.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.455 -6.216 3.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.767 -7.640 4.051 1.00 0.00 H new ATOM 231 N ALA A 14 2.917 -4.356 8.085 1.00 0.00 N ATOM 232 CA ALA A 14 3.784 -3.892 9.157 1.00 0.00 C ATOM 233 C ALA A 14 4.882 -4.910 9.457 1.00 0.00 C ATOM 234 O ALA A 14 5.753 -4.665 10.291 1.00 0.00 O ATOM 235 CB ALA A 14 2.971 -3.596 10.405 1.00 0.00 C ATOM 0 H ALA A 14 2.060 -4.812 8.398 1.00 0.00 H new ATOM 0 HA ALA A 14 4.265 -2.970 8.829 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.634 -3.250 11.198 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.235 -2.823 10.185 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.460 -4.502 10.730 1.00 0.00 H new ATOM 241 N ASN A 15 4.833 -6.060 8.782 1.00 0.00 N ATOM 242 CA ASN A 15 5.827 -7.109 9.000 1.00 0.00 C ATOM 243 C ASN A 15 6.302 -7.733 7.697 1.00 0.00 C ATOM 244 O ASN A 15 6.959 -8.774 7.711 1.00 0.00 O ATOM 245 CB ASN A 15 5.264 -8.191 9.921 1.00 0.00 C ATOM 246 CG ASN A 15 5.337 -7.801 11.384 1.00 0.00 C ATOM 247 OD1 ASN A 15 6.342 -7.258 11.843 1.00 0.00 O ATOM 248 ND2 ASN A 15 4.270 -8.077 12.125 1.00 0.00 N ATOM 0 H ASN A 15 4.122 -6.286 8.086 1.00 0.00 H new ATOM 0 HA ASN A 15 6.690 -6.640 9.473 1.00 0.00 H new ATOM 0 HB2 ASN A 15 4.226 -8.389 9.652 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.816 -9.118 9.767 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.262 -7.838 13.117 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.459 -8.528 11.703 1.00 0.00 H new ATOM 255 N ASN A 16 5.989 -7.102 6.574 1.00 0.00 N ATOM 256 CA ASN A 16 6.420 -7.626 5.292 1.00 0.00 C ATOM 257 C ASN A 16 7.896 -7.318 5.052 1.00 0.00 C ATOM 258 O ASN A 16 8.364 -6.226 5.364 1.00 0.00 O ATOM 259 CB ASN A 16 5.576 -7.045 4.153 1.00 0.00 C ATOM 260 CG ASN A 16 5.270 -8.069 3.078 1.00 0.00 C ATOM 261 OD1 ASN A 16 6.064 -8.281 2.162 1.00 0.00 O ATOM 262 ND2 ASN A 16 4.111 -8.709 3.184 1.00 0.00 N ATOM 0 H ASN A 16 5.446 -6.240 6.527 1.00 0.00 H new ATOM 0 HA ASN A 16 6.284 -8.707 5.311 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.641 -6.658 4.558 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.104 -6.202 3.708 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.849 -9.408 2.489 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.483 -8.501 3.960 1.00 0.00 H new ATOM 269 N PRO A 17 8.656 -8.274 4.486 1.00 0.00 N ATOM 270 CA PRO A 17 10.081 -8.075 4.208 1.00 0.00 C ATOM 271 C PRO A 17 10.320 -6.882 3.301 1.00 0.00 C ATOM 272 O PRO A 17 11.409 -6.310 3.277 1.00 0.00 O ATOM 273 CB PRO A 17 10.513 -9.378 3.524 1.00 0.00 C ATOM 274 CG PRO A 17 9.244 -10.030 3.082 1.00 0.00 C ATOM 275 CD PRO A 17 8.194 -9.605 4.068 1.00 0.00 C ATOM 0 HA PRO A 17 10.647 -7.863 5.115 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.169 -9.179 2.676 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.066 -10.019 4.211 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.978 -9.720 2.071 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.348 -11.115 3.066 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.205 -9.565 3.612 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.129 -10.293 4.911 1.00 0.00 H new ATOM 283 N HIS A 18 9.286 -6.501 2.570 1.00 0.00 N ATOM 284 CA HIS A 18 9.362 -5.364 1.674 1.00 0.00 C ATOM 285 C HIS A 18 9.033 -4.080 2.428 1.00 0.00 C ATOM 286 O HIS A 18 9.478 -2.996 2.052 1.00 0.00 O ATOM 287 CB HIS A 18 8.395 -5.567 0.514 1.00 0.00 C ATOM 288 CG HIS A 18 8.995 -5.275 -0.826 1.00 0.00 C ATOM 289 ND1 HIS A 18 8.400 -5.644 -2.014 1.00 0.00 N ATOM 290 CD2 HIS A 18 10.146 -4.645 -1.164 1.00 0.00 C ATOM 291 CE1 HIS A 18 9.157 -5.256 -3.023 1.00 0.00 C ATOM 292 NE2 HIS A 18 10.222 -4.647 -2.534 1.00 0.00 N ATOM 0 H HIS A 18 8.379 -6.967 2.581 1.00 0.00 H new ATOM 0 HA HIS A 18 10.375 -5.279 1.280 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.038 -6.597 0.526 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.526 -4.926 0.661 1.00 0.00 H new ATOM 0 HD2 HIS A 18 10.868 -4.221 -0.483 1.00 0.00 H new ATOM 0 HE1 HIS A 18 8.942 -5.410 -4.070 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.979 -4.243 -3.086 1.00 0.00 H new ATOM 301 N PHE A 19 8.261 -4.215 3.507 1.00 0.00 N ATOM 302 CA PHE A 19 7.882 -3.071 4.325 1.00 0.00 C ATOM 303 C PHE A 19 9.117 -2.263 4.709 1.00 0.00 C ATOM 304 O PHE A 19 9.070 -1.043 4.823 1.00 0.00 O ATOM 305 CB PHE A 19 7.118 -3.541 5.575 1.00 0.00 C ATOM 306 CG PHE A 19 7.830 -3.308 6.883 1.00 0.00 C ATOM 307 CD1 PHE A 19 9.003 -3.983 7.183 1.00 0.00 C ATOM 308 CD2 PHE A 19 7.321 -2.413 7.812 1.00 0.00 C ATOM 309 CE1 PHE A 19 9.654 -3.770 8.384 1.00 0.00 C ATOM 310 CE2 PHE A 19 7.968 -2.198 9.014 1.00 0.00 C ATOM 311 CZ PHE A 19 9.135 -2.877 9.301 1.00 0.00 C ATOM 0 H PHE A 19 7.888 -5.107 3.832 1.00 0.00 H new ATOM 0 HA PHE A 19 7.222 -2.425 3.746 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.155 -3.031 5.607 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.911 -4.607 5.476 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.413 -4.683 6.470 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.409 -1.878 7.594 1.00 0.00 H new ATOM 0 HE1 PHE A 19 10.568 -4.302 8.605 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.560 -1.499 9.729 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.641 -2.710 10.240 1.00 0.00 H new ATOM 321 N ASP A 20 10.227 -2.953 4.894 1.00 0.00 N ATOM 322 CA ASP A 20 11.477 -2.292 5.251 1.00 0.00 C ATOM 323 C ASP A 20 11.694 -1.047 4.400 1.00 0.00 C ATOM 324 O ASP A 20 11.898 0.048 4.919 1.00 0.00 O ATOM 325 CB ASP A 20 12.649 -3.244 5.060 1.00 0.00 C ATOM 326 CG ASP A 20 12.851 -4.166 6.247 1.00 0.00 C ATOM 327 OD1 ASP A 20 12.494 -3.766 7.376 1.00 0.00 O ATOM 328 OD2 ASP A 20 13.366 -5.286 6.049 1.00 0.00 O ATOM 0 H ASP A 20 10.293 -3.967 4.804 1.00 0.00 H new ATOM 0 HA ASP A 20 11.415 -1.997 6.298 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.484 -3.842 4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.558 -2.666 4.895 1.00 0.00 H new ATOM 333 N LYS A 21 11.643 -1.234 3.089 1.00 0.00 N ATOM 334 CA LYS A 21 11.828 -0.138 2.147 1.00 0.00 C ATOM 335 C LYS A 21 10.500 0.521 1.793 1.00 0.00 C ATOM 336 O LYS A 21 10.365 1.743 1.842 1.00 0.00 O ATOM 337 CB LYS A 21 12.514 -0.647 0.878 1.00 0.00 C ATOM 338 CG LYS A 21 14.031 -0.616 0.953 1.00 0.00 C ATOM 339 CD LYS A 21 14.663 -1.112 -0.338 1.00 0.00 C ATOM 340 CE LYS A 21 16.164 -1.306 -0.186 1.00 0.00 C ATOM 341 NZ LYS A 21 16.918 -0.716 -1.326 1.00 0.00 N ATOM 0 H LYS A 21 11.474 -2.140 2.651 1.00 0.00 H new ATOM 0 HA LYS A 21 12.459 0.612 2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.189 -1.669 0.684 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.188 -0.043 0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.366 0.401 1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.368 -1.234 1.785 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.201 -2.055 -0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.467 -0.398 -1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.497 -0.848 0.745 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.387 -2.371 -0.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.937 -0.869 -1.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.619 -1.171 -2.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.725 0.305 -1.378 1.00 0.00 H new ATOM 355 N ILE A 22 9.527 -0.300 1.420 1.00 0.00 N ATOM 356 CA ILE A 22 8.207 0.192 1.037 1.00 0.00 C ATOM 357 C ILE A 22 7.517 0.923 2.183 1.00 0.00 C ATOM 358 O ILE A 22 6.808 1.905 1.965 1.00 0.00 O ATOM 359 CB ILE A 22 7.293 -0.952 0.559 1.00 0.00 C ATOM 360 CG1 ILE A 22 8.028 -1.835 -0.456 1.00 0.00 C ATOM 361 CG2 ILE A 22 6.014 -0.388 -0.043 1.00 0.00 C ATOM 362 CD1 ILE A 22 7.133 -2.837 -1.153 1.00 0.00 C ATOM 0 H ILE A 22 9.626 -1.314 1.374 1.00 0.00 H new ATOM 0 HA ILE A 22 8.372 0.891 0.217 1.00 0.00 H new ATOM 0 HB ILE A 22 7.026 -1.569 1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.497 -1.198 -1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.829 -2.370 0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.377 -1.207 -0.377 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.486 0.199 0.709 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.262 0.249 -0.893 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.723 -3.425 -1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.683 -3.499 -0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.347 -2.309 -1.693 1.00 0.00 H new ATOM 374 N PHE A 23 7.720 0.439 3.400 1.00 0.00 N ATOM 375 CA PHE A 23 7.104 1.053 4.573 1.00 0.00 C ATOM 376 C PHE A 23 7.942 2.216 5.084 1.00 0.00 C ATOM 377 O PHE A 23 7.403 3.224 5.537 1.00 0.00 O ATOM 378 CB PHE A 23 6.898 0.023 5.685 1.00 0.00 C ATOM 379 CG PHE A 23 5.521 0.045 6.278 1.00 0.00 C ATOM 380 CD1 PHE A 23 5.127 1.072 7.119 1.00 0.00 C ATOM 381 CD2 PHE A 23 4.623 -0.965 5.990 1.00 0.00 C ATOM 382 CE1 PHE A 23 3.858 1.089 7.664 1.00 0.00 C ATOM 383 CE2 PHE A 23 3.352 -0.955 6.532 1.00 0.00 C ATOM 384 CZ PHE A 23 2.968 0.074 7.370 1.00 0.00 C ATOM 0 H PHE A 23 8.303 -0.373 3.603 1.00 0.00 H new ATOM 0 HA PHE A 23 6.129 1.436 4.271 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.097 -0.972 5.288 1.00 0.00 H new ATOM 0 HB3 PHE A 23 7.627 0.203 6.475 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.819 1.868 7.351 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.918 -1.771 5.334 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.562 1.895 8.319 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.659 -1.751 6.301 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.975 0.085 7.794 1.00 0.00 H new ATOM 394 N GLU A 24 9.262 2.081 5.005 1.00 0.00 N ATOM 395 CA GLU A 24 10.148 3.145 5.460 1.00 0.00 C ATOM 396 C GLU A 24 10.017 4.360 4.556 1.00 0.00 C ATOM 397 O GLU A 24 9.949 5.495 5.027 1.00 0.00 O ATOM 398 CB GLU A 24 11.598 2.664 5.496 1.00 0.00 C ATOM 399 CG GLU A 24 12.589 3.739 5.916 1.00 0.00 C ATOM 400 CD GLU A 24 13.547 3.261 6.990 1.00 0.00 C ATOM 401 OE1 GLU A 24 13.193 3.350 8.184 1.00 0.00 O ATOM 402 OE2 GLU A 24 14.653 2.800 6.637 1.00 0.00 O ATOM 0 H GLU A 24 9.736 1.257 4.635 1.00 0.00 H new ATOM 0 HA GLU A 24 9.856 3.426 6.472 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.675 1.822 6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.873 2.294 4.508 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.158 4.064 5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.043 4.608 6.282 1.00 0.00 H new ATOM 409 N LYS A 25 9.966 4.113 3.253 1.00 0.00 N ATOM 410 CA LYS A 25 9.822 5.186 2.281 1.00 0.00 C ATOM 411 C LYS A 25 8.428 5.788 2.377 1.00 0.00 C ATOM 412 O LYS A 25 8.249 6.999 2.237 1.00 0.00 O ATOM 413 CB LYS A 25 10.077 4.667 0.864 1.00 0.00 C ATOM 414 CG LYS A 25 11.551 4.487 0.539 1.00 0.00 C ATOM 415 CD LYS A 25 11.769 3.341 -0.435 1.00 0.00 C ATOM 416 CE LYS A 25 13.157 3.392 -1.054 1.00 0.00 C ATOM 417 NZ LYS A 25 13.302 4.535 -1.996 1.00 0.00 N ATOM 0 H LYS A 25 10.022 3.179 2.846 1.00 0.00 H new ATOM 0 HA LYS A 25 10.559 5.958 2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.566 3.712 0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.637 5.361 0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.946 5.409 0.112 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.107 4.297 1.457 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.635 2.391 0.083 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.017 3.383 -1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.904 3.475 -0.264 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.354 2.459 -1.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.121 4.372 -2.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.442 4.620 -2.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.445 5.413 -1.457 1.00 0.00 H new ATOM 431 N HIS A 26 7.445 4.933 2.637 1.00 0.00 N ATOM 432 CA HIS A 26 6.066 5.377 2.776 1.00 0.00 C ATOM 433 C HIS A 26 5.902 6.144 4.081 1.00 0.00 C ATOM 434 O HIS A 26 5.335 7.236 4.108 1.00 0.00 O ATOM 435 CB HIS A 26 5.111 4.179 2.741 1.00 0.00 C ATOM 436 CG HIS A 26 3.693 4.528 3.080 1.00 0.00 C ATOM 437 ND1 HIS A 26 3.068 5.670 2.624 1.00 0.00 N ATOM 438 CD2 HIS A 26 2.777 3.880 3.839 1.00 0.00 C ATOM 439 CE1 HIS A 26 1.831 5.708 3.087 1.00 0.00 C ATOM 440 NE2 HIS A 26 1.630 4.634 3.825 1.00 0.00 N ATOM 0 H HIS A 26 7.579 3.929 2.755 1.00 0.00 H new ATOM 0 HA HIS A 26 5.821 6.035 1.942 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.138 3.733 1.747 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.466 3.422 3.440 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.922 2.944 4.358 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.108 6.486 2.894 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.762 4.401 4.308 1.00 0.00 H new ATOM 449 N ASN A 27 6.412 5.562 5.159 1.00 0.00 N ATOM 450 CA ASN A 27 6.332 6.189 6.473 1.00 0.00 C ATOM 451 C ASN A 27 7.044 7.540 6.474 1.00 0.00 C ATOM 452 O ASN A 27 6.670 8.447 7.216 1.00 0.00 O ATOM 453 CB ASN A 27 6.942 5.278 7.539 1.00 0.00 C ATOM 454 CG ASN A 27 5.955 4.249 8.054 1.00 0.00 C ATOM 455 OD1 ASN A 27 4.856 4.104 7.520 1.00 0.00 O ATOM 456 ND2 ASN A 27 6.343 3.528 9.099 1.00 0.00 N ATOM 0 H ASN A 27 6.885 4.658 5.150 1.00 0.00 H new ATOM 0 HA ASN A 27 5.279 6.350 6.706 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.811 4.768 7.123 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.297 5.885 8.372 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.721 2.821 9.490 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.263 3.681 9.511 1.00 0.00 H new ATOM 463 N GLN A 28 8.064 7.670 5.629 1.00 0.00 N ATOM 464 CA GLN A 28 8.815 8.914 5.528 1.00 0.00 C ATOM 465 C GLN A 28 7.954 9.991 4.885 1.00 0.00 C ATOM 466 O GLN A 28 8.005 11.159 5.269 1.00 0.00 O ATOM 467 CB GLN A 28 10.095 8.705 4.715 1.00 0.00 C ATOM 468 CG GLN A 28 11.331 9.311 5.360 1.00 0.00 C ATOM 469 CD GLN A 28 11.156 10.780 5.691 1.00 0.00 C ATOM 470 OE1 GLN A 28 10.665 11.062 6.893 1.00 0.00 O flip ATOM 471 NE2 GLN A 28 11.457 11.652 4.876 1.00 0.00 N flip ATOM 0 H GLN A 28 8.387 6.929 5.006 1.00 0.00 H new ATOM 0 HA GLN A 28 9.093 9.235 6.532 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.256 7.636 4.574 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.962 9.140 3.725 1.00 0.00 H new ATOM 0 HG2 GLN A 28 11.566 8.763 6.272 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.182 9.193 4.689 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.831 11.390 3.964 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.332 12.636 5.113 1.00 0.00 H new ATOM 480 N LEU A 29 7.152 9.580 3.910 1.00 0.00 N ATOM 481 CA LEU A 29 6.260 10.496 3.218 1.00 0.00 C ATOM 482 C LEU A 29 5.169 10.966 4.163 1.00 0.00 C ATOM 483 O LEU A 29 4.988 12.165 4.374 1.00 0.00 O ATOM 484 CB LEU A 29 5.641 9.817 1.995 1.00 0.00 C ATOM 485 CG LEU A 29 5.095 10.773 0.932 1.00 0.00 C ATOM 486 CD1 LEU A 29 6.076 10.901 -0.224 1.00 0.00 C ATOM 487 CD2 LEU A 29 3.739 10.298 0.434 1.00 0.00 C ATOM 0 H LEU A 29 7.103 8.616 3.582 1.00 0.00 H new ATOM 0 HA LEU A 29 6.835 11.358 2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.393 9.176 1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.831 9.168 2.329 1.00 0.00 H new ATOM 0 HG LEU A 29 4.968 11.756 1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.671 11.585 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.026 11.288 0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.235 9.922 -0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.366 10.990 -0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.839 9.304 -0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.038 10.259 1.268 1.00 0.00 H new ATOM 499 N ASP A 30 4.462 10.009 4.752 1.00 0.00 N ATOM 500 CA ASP A 30 3.401 10.320 5.701 1.00 0.00 C ATOM 501 C ASP A 30 3.963 11.109 6.878 1.00 0.00 C ATOM 502 O ASP A 30 3.232 11.809 7.576 1.00 0.00 O ATOM 503 CB ASP A 30 2.730 9.038 6.196 1.00 0.00 C ATOM 504 CG ASP A 30 1.399 9.307 6.874 1.00 0.00 C ATOM 505 OD1 ASP A 30 0.399 9.514 6.156 1.00 0.00 O ATOM 506 OD2 ASP A 30 1.360 9.311 8.122 1.00 0.00 O ATOM 0 H ASP A 30 4.604 9.012 4.589 1.00 0.00 H new ATOM 0 HA ASP A 30 2.651 10.928 5.195 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.576 8.363 5.354 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.394 8.530 6.895 1.00 0.00 H new ATOM 511 N ASP A 31 5.275 11.008 7.084 1.00 0.00 N ATOM 512 CA ASP A 31 5.925 11.739 8.160 1.00 0.00 C ATOM 513 C ASP A 31 6.201 13.167 7.709 1.00 0.00 C ATOM 514 O ASP A 31 6.191 14.099 8.513 1.00 0.00 O ATOM 515 CB ASP A 31 7.227 11.050 8.575 1.00 0.00 C ATOM 516 CG ASP A 31 7.054 10.179 9.804 1.00 0.00 C ATOM 517 OD1 ASP A 31 6.661 9.004 9.648 1.00 0.00 O ATOM 518 OD2 ASP A 31 7.313 10.672 10.922 1.00 0.00 O ATOM 0 H ASP A 31 5.901 10.431 6.523 1.00 0.00 H new ATOM 0 HA ASP A 31 5.263 11.756 9.026 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.591 10.439 7.749 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.988 11.805 8.773 1.00 0.00 H new ATOM 523 N ASP A 32 6.423 13.330 6.407 1.00 0.00 N ATOM 524 CA ASP A 32 6.676 14.643 5.833 1.00 0.00 C ATOM 525 C ASP A 32 5.354 15.365 5.594 1.00 0.00 C ATOM 526 O ASP A 32 5.272 16.588 5.706 1.00 0.00 O ATOM 527 CB ASP A 32 7.455 14.512 4.522 1.00 0.00 C ATOM 528 CG ASP A 32 8.866 15.056 4.631 1.00 0.00 C ATOM 529 OD1 ASP A 32 9.715 14.382 5.252 1.00 0.00 O ATOM 530 OD2 ASP A 32 9.121 16.155 4.095 1.00 0.00 O ATOM 0 H ASP A 32 6.432 12.566 5.731 1.00 0.00 H new ATOM 0 HA ASP A 32 7.277 15.224 6.532 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.495 13.463 4.229 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.924 15.043 3.732 1.00 0.00 H new ATOM 535 N ILE A 33 4.318 14.591 5.275 1.00 0.00 N ATOM 536 CA ILE A 33 2.998 15.141 5.034 1.00 0.00 C ATOM 537 C ILE A 33 2.428 15.726 6.321 1.00 0.00 C ATOM 538 O ILE A 33 1.729 16.739 6.300 1.00 0.00 O ATOM 539 CB ILE A 33 2.037 14.067 4.471 1.00 0.00 C ATOM 540 CG1 ILE A 33 1.497 13.171 5.588 1.00 0.00 C ATOM 541 CG2 ILE A 33 2.730 13.235 3.401 1.00 0.00 C ATOM 542 CD1 ILE A 33 0.230 13.697 6.224 1.00 0.00 C ATOM 0 H ILE A 33 4.375 13.577 5.179 1.00 0.00 H new ATOM 0 HA ILE A 33 3.095 15.933 4.291 1.00 0.00 H new ATOM 0 HB ILE A 33 1.191 14.579 4.014 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.306 12.177 5.185 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.262 13.062 6.357 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.038 12.485 3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.050 13.884 2.586 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.599 12.739 3.832 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.096 13.012 7.007 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.421 14.679 6.657 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.550 13.780 5.467 1.00 0.00 H new ATOM 554 N LYS A 34 2.752 15.090 7.448 1.00 0.00 N ATOM 555 CA LYS A 34 2.288 15.565 8.742 1.00 0.00 C ATOM 556 C LYS A 34 3.155 16.727 9.199 1.00 0.00 C ATOM 557 O LYS A 34 2.661 17.709 9.752 1.00 0.00 O ATOM 558 CB LYS A 34 2.323 14.441 9.777 1.00 0.00 C ATOM 559 CG LYS A 34 3.702 13.834 9.975 1.00 0.00 C ATOM 560 CD LYS A 34 3.729 12.895 11.170 1.00 0.00 C ATOM 561 CE LYS A 34 3.497 11.453 10.751 1.00 0.00 C ATOM 562 NZ LYS A 34 2.676 10.710 11.746 1.00 0.00 N ATOM 0 H LYS A 34 3.330 14.251 7.486 1.00 0.00 H new ATOM 0 HA LYS A 34 1.256 15.902 8.642 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.966 14.827 10.732 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.631 13.656 9.471 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.994 13.290 9.077 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.434 14.629 10.119 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.690 12.977 11.677 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.964 13.194 11.887 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.999 11.432 9.782 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.457 10.952 10.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.541 9.731 11.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.163 10.707 12.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.750 11.172 11.846 1.00 0.00 H new ATOM 576 N THR A 35 4.454 16.615 8.938 1.00 0.00 N ATOM 577 CA THR A 35 5.393 17.665 9.295 1.00 0.00 C ATOM 578 C THR A 35 5.093 18.917 8.480 1.00 0.00 C ATOM 579 O THR A 35 5.340 20.038 8.925 1.00 0.00 O ATOM 580 CB THR A 35 6.830 17.207 9.048 1.00 0.00 C ATOM 581 OG1 THR A 35 7.116 16.033 9.786 1.00 0.00 O ATOM 582 CG2 THR A 35 7.864 18.247 9.420 1.00 0.00 C ATOM 0 H THR A 35 4.877 15.807 8.481 1.00 0.00 H new ATOM 0 HA THR A 35 5.284 17.891 10.356 1.00 0.00 H new ATOM 0 HB THR A 35 6.893 17.025 7.975 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.140 15.263 9.180 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.862 17.856 9.219 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.702 19.149 8.829 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.774 18.486 10.480 1.00 0.00 H new ATOM 590 N ALA A 36 4.544 18.711 7.284 1.00 0.00 N ATOM 591 CA ALA A 36 4.190 19.816 6.406 1.00 0.00 C ATOM 592 C ALA A 36 2.779 20.312 6.709 1.00 0.00 C ATOM 593 O ALA A 36 2.450 21.470 6.453 1.00 0.00 O ATOM 594 CB ALA A 36 4.301 19.391 4.949 1.00 0.00 C ATOM 0 H ALA A 36 4.336 17.787 6.904 1.00 0.00 H new ATOM 0 HA ALA A 36 4.888 20.634 6.584 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.033 20.228 4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.325 19.083 4.737 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.625 18.557 4.761 1.00 0.00 H new ATOM 600 N GLU A 37 1.950 19.427 7.260 1.00 0.00 N ATOM 601 CA GLU A 37 0.577 19.778 7.606 1.00 0.00 C ATOM 602 C GLU A 37 0.525 20.509 8.945 1.00 0.00 C ATOM 603 O GLU A 37 -0.436 21.221 9.236 1.00 0.00 O ATOM 604 CB GLU A 37 -0.292 18.520 7.664 1.00 0.00 C ATOM 605 CG GLU A 37 -1.039 18.235 6.371 1.00 0.00 C ATOM 606 CD GLU A 37 -2.073 17.137 6.525 1.00 0.00 C ATOM 607 OE1 GLU A 37 -1.716 16.052 7.030 1.00 0.00 O ATOM 608 OE2 GLU A 37 -3.240 17.363 6.142 1.00 0.00 O ATOM 0 H GLU A 37 2.206 18.463 7.476 1.00 0.00 H new ATOM 0 HA GLU A 37 0.191 20.443 6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.338 17.664 7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.013 18.624 8.475 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.530 19.147 6.031 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.325 17.951 5.598 1.00 0.00 H new ATOM 615 N GLN A 38 1.562 20.324 9.757 1.00 0.00 N ATOM 616 CA GLN A 38 1.633 20.964 11.066 1.00 0.00 C ATOM 617 C GLN A 38 1.515 22.479 10.945 1.00 0.00 C ATOM 618 O GLN A 38 0.825 23.121 11.737 1.00 0.00 O ATOM 619 CB GLN A 38 2.945 20.594 11.765 1.00 0.00 C ATOM 620 CG GLN A 38 2.758 20.125 13.198 1.00 0.00 C ATOM 621 CD GLN A 38 3.972 19.392 13.733 1.00 0.00 C ATOM 622 OE1 GLN A 38 4.595 19.824 14.703 1.00 0.00 O ATOM 623 NE2 GLN A 38 4.317 18.276 13.102 1.00 0.00 N ATOM 0 H GLN A 38 2.364 19.736 9.531 1.00 0.00 H new ATOM 0 HA GLN A 38 0.795 20.604 11.663 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.441 19.808 11.196 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.608 21.459 11.758 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.548 20.985 13.834 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.889 19.469 13.252 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.773 17.953 12.302 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.126 17.741 13.417 1.00 0.00 H new ATOM 632 N GLN A 39 2.194 23.050 9.954 1.00 0.00 N ATOM 633 CA GLN A 39 2.160 24.491 9.741 1.00 0.00 C ATOM 634 C GLN A 39 1.595 24.835 8.367 1.00 0.00 C ATOM 635 O GLN A 39 1.073 25.930 8.159 1.00 0.00 O ATOM 636 CB GLN A 39 3.566 25.081 9.888 1.00 0.00 C ATOM 637 CG GLN A 39 4.488 24.770 8.717 1.00 0.00 C ATOM 638 CD GLN A 39 5.331 23.532 8.951 1.00 0.00 C ATOM 639 OE1 GLN A 39 6.010 23.413 9.971 1.00 0.00 O ATOM 640 NE2 GLN A 39 5.294 22.602 8.003 1.00 0.00 N ATOM 0 H GLN A 39 2.772 22.537 9.288 1.00 0.00 H new ATOM 0 HA GLN A 39 1.505 24.925 10.497 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.486 26.162 9.999 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.016 24.699 10.804 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.891 24.633 7.816 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.143 25.623 8.539 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.717 22.742 7.174 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.842 21.748 8.105 1.00 0.00 H new ATOM 649 N ASN A 40 1.717 23.899 7.427 1.00 0.00 N ATOM 650 CA ASN A 40 1.228 24.116 6.073 1.00 0.00 C ATOM 651 C ASN A 40 2.014 25.233 5.401 1.00 0.00 C ATOM 652 O ASN A 40 1.438 26.178 4.859 1.00 0.00 O ATOM 653 CB ASN A 40 -0.261 24.456 6.091 1.00 0.00 C ATOM 654 CG ASN A 40 -1.138 23.225 5.989 1.00 0.00 C ATOM 655 OD1 ASN A 40 -1.092 22.380 7.013 1.00 0.00 O flip ATOM 656 ND2 ASN A 40 -1.849 23.034 5.003 1.00 0.00 N flip ATOM 0 H ASN A 40 2.149 22.988 7.580 1.00 0.00 H new ATOM 0 HA ASN A 40 1.368 23.197 5.504 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.497 24.991 7.011 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.487 25.129 5.264 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.853 23.710 4.239 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.434 22.200 4.950 1.00 0.00 H new ATOM 663 N ALA A 41 3.339 25.116 5.444 1.00 0.00 N ATOM 664 CA ALA A 41 4.224 26.113 4.843 1.00 0.00 C ATOM 665 C ALA A 41 3.720 26.553 3.471 1.00 0.00 C ATOM 666 O ALA A 41 3.940 27.689 3.053 1.00 0.00 O ATOM 667 CB ALA A 41 5.638 25.562 4.735 1.00 0.00 C ATOM 0 H ALA A 41 3.826 24.338 5.890 1.00 0.00 H new ATOM 0 HA ALA A 41 4.231 26.989 5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.288 26.313 4.286 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.007 25.310 5.729 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.633 24.667 4.112 1.00 0.00 H new ATOM 673 N SER A 42 3.040 25.645 2.779 1.00 0.00 N ATOM 674 CA SER A 42 2.499 25.937 1.458 1.00 0.00 C ATOM 675 C SER A 42 1.430 24.920 1.070 1.00 0.00 C ATOM 676 O SER A 42 1.709 23.727 0.947 1.00 0.00 O ATOM 677 CB SER A 42 3.619 25.947 0.413 1.00 0.00 C ATOM 678 OG SER A 42 4.806 25.370 0.930 1.00 0.00 O ATOM 0 H SER A 42 2.851 24.700 3.112 1.00 0.00 H new ATOM 0 HA SER A 42 2.038 26.924 1.492 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.299 25.397 -0.472 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.817 26.971 0.097 1.00 0.00 H new ATOM 0 HG SER A 42 5.504 25.387 0.243 1.00 0.00 H new ATOM 684 N ASP A 43 0.205 25.402 0.877 1.00 0.00 N ATOM 685 CA ASP A 43 -0.913 24.541 0.499 1.00 0.00 C ATOM 686 C ASP A 43 -0.519 23.622 -0.648 1.00 0.00 C ATOM 687 O ASP A 43 -0.639 22.401 -0.552 1.00 0.00 O ATOM 688 CB ASP A 43 -2.125 25.384 0.101 1.00 0.00 C ATOM 689 CG ASP A 43 -2.590 26.294 1.222 1.00 0.00 C ATOM 690 OD1 ASP A 43 -3.383 25.833 2.070 1.00 0.00 O ATOM 691 OD2 ASP A 43 -2.161 27.467 1.251 1.00 0.00 O ATOM 0 H ASP A 43 -0.039 26.387 0.976 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.177 23.928 1.361 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.874 25.987 -0.772 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.943 24.725 -0.191 1.00 0.00 H new ATOM 696 N ALA A 44 -0.032 24.219 -1.727 1.00 0.00 N ATOM 697 CA ALA A 44 0.402 23.458 -2.889 1.00 0.00 C ATOM 698 C ALA A 44 1.488 22.464 -2.492 1.00 0.00 C ATOM 699 O ALA A 44 1.653 21.420 -3.122 1.00 0.00 O ATOM 700 CB ALA A 44 0.906 24.392 -3.979 1.00 0.00 C ATOM 0 H ALA A 44 0.072 25.229 -1.821 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.451 22.903 -3.281 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.227 23.806 -4.841 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.105 25.068 -4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.748 24.972 -3.601 1.00 0.00 H new ATOM 706 N GLU A 45 2.219 22.797 -1.431 1.00 0.00 N ATOM 707 CA GLU A 45 3.283 21.939 -0.930 1.00 0.00 C ATOM 708 C GLU A 45 2.705 20.784 -0.130 1.00 0.00 C ATOM 709 O GLU A 45 3.102 19.632 -0.304 1.00 0.00 O ATOM 710 CB GLU A 45 4.247 22.743 -0.056 1.00 0.00 C ATOM 711 CG GLU A 45 5.608 22.087 0.114 1.00 0.00 C ATOM 712 CD GLU A 45 6.557 22.410 -1.023 1.00 0.00 C ATOM 713 OE1 GLU A 45 7.076 23.546 -1.058 1.00 0.00 O ATOM 714 OE2 GLU A 45 6.783 21.528 -1.877 1.00 0.00 O ATOM 0 H GLU A 45 2.091 23.659 -0.901 1.00 0.00 H new ATOM 0 HA GLU A 45 3.828 21.537 -1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.382 23.732 -0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.798 22.888 0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.050 22.414 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.481 21.006 0.180 1.00 0.00 H new ATOM 721 N VAL A 46 1.760 21.100 0.745 1.00 0.00 N ATOM 722 CA VAL A 46 1.122 20.084 1.573 1.00 0.00 C ATOM 723 C VAL A 46 0.135 19.256 0.758 1.00 0.00 C ATOM 724 O VAL A 46 -0.175 18.119 1.112 1.00 0.00 O ATOM 725 CB VAL A 46 0.388 20.705 2.776 1.00 0.00 C ATOM 726 CG1 VAL A 46 0.021 19.626 3.785 1.00 0.00 C ATOM 727 CG2 VAL A 46 1.237 21.789 3.427 1.00 0.00 C ATOM 0 H VAL A 46 1.419 22.049 0.900 1.00 0.00 H new ATOM 0 HA VAL A 46 1.917 19.438 1.946 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.531 21.169 2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.497 20.079 4.630 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.630 18.891 3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.927 19.134 4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.698 22.213 4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.176 21.357 3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.445 22.574 2.700 1.00 0.00 H new ATOM 737 N SER A 47 -0.356 19.833 -0.336 1.00 0.00 N ATOM 738 CA SER A 47 -1.306 19.142 -1.200 1.00 0.00 C ATOM 739 C SER A 47 -0.587 18.257 -2.208 1.00 0.00 C ATOM 740 O SER A 47 -1.158 17.298 -2.727 1.00 0.00 O ATOM 741 CB SER A 47 -2.198 20.150 -1.928 1.00 0.00 C ATOM 742 OG SER A 47 -3.073 20.802 -1.024 1.00 0.00 O ATOM 0 H SER A 47 -0.112 20.774 -0.644 1.00 0.00 H new ATOM 0 HA SER A 47 -1.930 18.507 -0.571 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.578 20.889 -2.436 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.778 19.639 -2.696 1.00 0.00 H new ATOM 0 HG SER A 47 -2.594 21.526 -0.570 1.00 0.00 H new ATOM 748 N HIS A 48 0.670 18.580 -2.476 1.00 0.00 N ATOM 749 CA HIS A 48 1.468 17.811 -3.415 1.00 0.00 C ATOM 750 C HIS A 48 2.049 16.576 -2.739 1.00 0.00 C ATOM 751 O HIS A 48 2.262 15.547 -3.379 1.00 0.00 O ATOM 752 CB HIS A 48 2.585 18.684 -3.970 1.00 0.00 C ATOM 753 CG HIS A 48 3.327 18.061 -5.111 1.00 0.00 C ATOM 754 ND1 HIS A 48 3.255 18.534 -6.405 1.00 0.00 N ATOM 755 CD2 HIS A 48 4.161 16.994 -5.148 1.00 0.00 C ATOM 756 CE1 HIS A 48 4.011 17.785 -7.187 1.00 0.00 C ATOM 757 NE2 HIS A 48 4.573 16.845 -6.450 1.00 0.00 N ATOM 0 H HIS A 48 1.158 19.371 -2.055 1.00 0.00 H new ATOM 0 HA HIS A 48 0.829 17.481 -4.234 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.162 19.634 -4.299 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.290 18.909 -3.170 1.00 0.00 H new ATOM 0 HD2 HIS A 48 4.448 16.376 -4.310 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.147 17.919 -8.250 1.00 0.00 H new ATOM 0 HE2 HIS A 48 5.210 16.125 -6.792 1.00 0.00 H new ATOM 766 N MET A 49 2.298 16.686 -1.438 1.00 0.00 N ATOM 767 CA MET A 49 2.848 15.576 -0.673 1.00 0.00 C ATOM 768 C MET A 49 1.813 14.471 -0.516 1.00 0.00 C ATOM 769 O MET A 49 2.153 13.288 -0.495 1.00 0.00 O ATOM 770 CB MET A 49 3.316 16.056 0.703 1.00 0.00 C ATOM 771 CG MET A 49 4.562 16.925 0.652 1.00 0.00 C ATOM 772 SD MET A 49 5.631 16.689 2.084 1.00 0.00 S ATOM 773 CE MET A 49 7.121 16.082 1.298 1.00 0.00 C ATOM 0 H MET A 49 2.128 17.532 -0.894 1.00 0.00 H new ATOM 0 HA MET A 49 3.705 15.177 -1.216 1.00 0.00 H new ATOM 0 HB2 MET A 49 2.510 16.618 1.176 1.00 0.00 H new ATOM 0 HB3 MET A 49 3.513 15.189 1.333 1.00 0.00 H new ATOM 0 HG2 MET A 49 5.121 16.699 -0.256 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.268 17.973 0.592 1.00 0.00 H new ATOM 0 HE1 MET A 49 7.992 16.425 1.856 1.00 0.00 H new ATOM 0 HE2 MET A 49 7.106 14.992 1.283 1.00 0.00 H new ATOM 0 HE3 MET A 49 7.173 16.459 0.276 1.00 0.00 H new ATOM 783 N LYS A 50 0.546 14.860 -0.412 1.00 0.00 N ATOM 784 CA LYS A 50 -0.528 13.889 -0.268 1.00 0.00 C ATOM 785 C LYS A 50 -0.682 13.076 -1.542 1.00 0.00 C ATOM 786 O LYS A 50 -0.963 11.879 -1.493 1.00 0.00 O ATOM 787 CB LYS A 50 -1.847 14.573 0.060 1.00 0.00 C ATOM 788 CG LYS A 50 -1.806 15.409 1.329 1.00 0.00 C ATOM 789 CD LYS A 50 -3.026 16.306 1.446 1.00 0.00 C ATOM 790 CE LYS A 50 -3.347 16.625 2.897 1.00 0.00 C ATOM 791 NZ LYS A 50 -4.812 16.763 3.124 1.00 0.00 N ATOM 0 H LYS A 50 0.241 15.833 -0.425 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.265 13.225 0.556 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.132 15.212 -0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.624 13.815 0.161 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.752 14.752 2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.903 16.019 1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.851 17.232 0.899 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.883 15.818 0.982 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.953 15.836 3.538 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.846 17.549 3.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.989 16.980 4.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.184 17.533 2.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.287 15.873 2.874 1.00 0.00 H new ATOM 805 N LYS A 51 -0.478 13.725 -2.685 1.00 0.00 N ATOM 806 CA LYS A 51 -0.578 13.039 -3.966 1.00 0.00 C ATOM 807 C LYS A 51 0.345 11.827 -3.968 1.00 0.00 C ATOM 808 O LYS A 51 0.055 10.808 -4.595 1.00 0.00 O ATOM 809 CB LYS A 51 -0.218 13.983 -5.115 1.00 0.00 C ATOM 810 CG LYS A 51 -1.151 13.869 -6.310 1.00 0.00 C ATOM 811 CD LYS A 51 -2.088 15.065 -6.408 1.00 0.00 C ATOM 812 CE LYS A 51 -1.761 15.935 -7.612 1.00 0.00 C ATOM 813 NZ LYS A 51 -0.628 16.862 -7.336 1.00 0.00 N ATOM 0 H LYS A 51 -0.245 14.716 -2.749 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.607 12.708 -4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.233 15.010 -4.749 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.802 13.775 -5.439 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.563 13.791 -7.225 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.737 12.953 -6.229 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.118 14.716 -6.480 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.016 15.660 -5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.512 15.300 -8.462 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.642 16.512 -7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.436 17.437 -8.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.875 17.486 -6.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.220 16.311 -7.093 1.00 0.00 H new ATOM 827 N GLN A 52 1.447 11.944 -3.234 1.00 0.00 N ATOM 828 CA GLN A 52 2.407 10.858 -3.119 1.00 0.00 C ATOM 829 C GLN A 52 1.957 9.865 -2.050 1.00 0.00 C ATOM 830 O GLN A 52 2.425 8.728 -2.012 1.00 0.00 O ATOM 831 CB GLN A 52 3.794 11.407 -2.780 1.00 0.00 C ATOM 832 CG GLN A 52 4.336 12.376 -3.818 1.00 0.00 C ATOM 833 CD GLN A 52 5.847 12.484 -3.781 1.00 0.00 C ATOM 834 OE1 GLN A 52 6.435 12.779 -2.742 1.00 0.00 O ATOM 835 NE2 GLN A 52 6.486 12.246 -4.921 1.00 0.00 N ATOM 0 H GLN A 52 1.695 12.783 -2.710 1.00 0.00 H new ATOM 0 HA GLN A 52 2.462 10.340 -4.077 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.750 11.910 -1.814 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.489 10.574 -2.675 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.023 12.052 -4.811 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.901 13.361 -3.652 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.959 12.004 -5.760 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.504 12.305 -4.957 1.00 0.00 H new ATOM 844 N LYS A 53 1.039 10.301 -1.182 1.00 0.00 N ATOM 845 CA LYS A 53 0.520 9.447 -0.122 1.00 0.00 C ATOM 846 C LYS A 53 -0.257 8.280 -0.707 1.00 0.00 C ATOM 847 O LYS A 53 0.093 7.118 -0.506 1.00 0.00 O ATOM 848 CB LYS A 53 -0.391 10.252 0.797 1.00 0.00 C ATOM 849 CG LYS A 53 -0.396 9.764 2.236 1.00 0.00 C ATOM 850 CD LYS A 53 -1.543 10.374 3.026 1.00 0.00 C ATOM 851 CE LYS A 53 -2.118 9.384 4.028 1.00 0.00 C ATOM 852 NZ LYS A 53 -3.605 9.446 4.077 1.00 0.00 N ATOM 0 H LYS A 53 0.643 11.241 -1.197 1.00 0.00 H new ATOM 0 HA LYS A 53 1.364 9.059 0.449 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.079 11.296 0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.408 10.216 0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.478 8.677 2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.551 10.019 2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.193 11.263 3.551 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.327 10.697 2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.805 8.374 3.762 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.713 9.593 5.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.959 8.757 4.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.904 10.402 4.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.993 9.222 3.138 1.00 0.00 H new ATOM 866 N LEU A 54 -1.311 8.606 -1.442 1.00 0.00 N ATOM 867 CA LEU A 54 -2.145 7.598 -2.079 1.00 0.00 C ATOM 868 C LEU A 54 -1.304 6.745 -3.015 1.00 0.00 C ATOM 869 O LEU A 54 -1.652 5.603 -3.317 1.00 0.00 O ATOM 870 CB LEU A 54 -3.287 8.257 -2.854 1.00 0.00 C ATOM 871 CG LEU A 54 -4.250 7.285 -3.541 1.00 0.00 C ATOM 872 CD1 LEU A 54 -5.624 7.341 -2.893 1.00 0.00 C ATOM 873 CD2 LEU A 54 -4.348 7.590 -5.029 1.00 0.00 C ATOM 0 H LEU A 54 -1.609 9.566 -1.612 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.574 6.962 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.856 8.885 -2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.860 8.916 -3.610 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.857 6.275 -3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.292 6.643 -3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.541 7.069 -1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.025 8.351 -2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.037 6.889 -5.500 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.714 8.607 -5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.363 7.493 -5.486 1.00 0.00 H new ATOM 885 N LYS A 55 -0.182 7.305 -3.456 1.00 0.00 N ATOM 886 CA LYS A 55 0.723 6.591 -4.341 1.00 0.00 C ATOM 887 C LYS A 55 1.605 5.668 -3.526 1.00 0.00 C ATOM 888 O LYS A 55 1.746 4.486 -3.838 1.00 0.00 O ATOM 889 CB LYS A 55 1.574 7.567 -5.156 1.00 0.00 C ATOM 890 CG LYS A 55 2.020 7.011 -6.499 1.00 0.00 C ATOM 891 CD LYS A 55 3.371 7.572 -6.912 1.00 0.00 C ATOM 892 CE LYS A 55 4.146 6.584 -7.770 1.00 0.00 C ATOM 893 NZ LYS A 55 5.392 7.183 -8.320 1.00 0.00 N ATOM 0 H LYS A 55 0.119 8.249 -3.214 1.00 0.00 H new ATOM 0 HA LYS A 55 0.135 5.998 -5.042 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.005 8.482 -5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.455 7.841 -4.575 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.078 5.924 -6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.277 7.252 -7.259 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.227 8.501 -7.464 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.952 7.817 -6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.398 5.706 -7.175 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.515 6.243 -8.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.891 6.477 -8.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.151 8.006 -8.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.007 7.486 -7.537 1.00 0.00 H new ATOM 907 N LEU A 56 2.164 6.207 -2.452 1.00 0.00 N ATOM 908 CA LEU A 56 2.989 5.414 -1.564 1.00 0.00 C ATOM 909 C LEU A 56 2.098 4.490 -0.744 1.00 0.00 C ATOM 910 O LEU A 56 2.584 3.602 -0.044 1.00 0.00 O ATOM 911 CB LEU A 56 3.821 6.311 -0.647 1.00 0.00 C ATOM 912 CG LEU A 56 5.165 6.759 -1.226 1.00 0.00 C ATOM 913 CD1 LEU A 56 4.953 7.738 -2.370 1.00 0.00 C ATOM 914 CD2 LEU A 56 6.030 7.381 -0.139 1.00 0.00 C ATOM 0 H LEU A 56 2.060 7.184 -2.179 1.00 0.00 H new ATOM 0 HA LEU A 56 3.680 4.817 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.235 7.197 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.004 5.780 0.287 1.00 0.00 H new ATOM 0 HG LEU A 56 5.683 5.884 -1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.919 8.046 -2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.371 7.258 -3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.416 8.613 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.982 7.694 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.519 8.247 0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.209 6.648 0.647 1.00 0.00 H new ATOM 926 N LYS A 57 0.781 4.688 -0.856 1.00 0.00 N ATOM 927 CA LYS A 57 -0.169 3.847 -0.148 1.00 0.00 C ATOM 928 C LYS A 57 -0.503 2.639 -1.007 1.00 0.00 C ATOM 929 O LYS A 57 -0.753 1.547 -0.500 1.00 0.00 O ATOM 930 CB LYS A 57 -1.447 4.621 0.186 1.00 0.00 C ATOM 931 CG LYS A 57 -2.576 3.742 0.711 1.00 0.00 C ATOM 932 CD LYS A 57 -3.928 4.414 0.542 1.00 0.00 C ATOM 933 CE LYS A 57 -4.829 4.165 1.741 1.00 0.00 C ATOM 934 NZ LYS A 57 -5.889 5.203 1.867 1.00 0.00 N ATOM 0 H LYS A 57 0.358 5.419 -1.427 1.00 0.00 H new ATOM 0 HA LYS A 57 0.281 3.522 0.790 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.216 5.383 0.930 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.790 5.142 -0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.573 2.789 0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.407 3.522 1.765 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.788 5.487 0.408 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.411 4.040 -0.361 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.293 3.183 1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.227 4.149 2.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.481 4.996 2.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.448 6.138 1.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.480 5.201 1.011 1.00 0.00 H new ATOM 948 N ASP A 58 -0.499 2.850 -2.319 1.00 0.00 N ATOM 949 CA ASP A 58 -0.794 1.789 -3.265 1.00 0.00 C ATOM 950 C ASP A 58 0.182 0.635 -3.094 1.00 0.00 C ATOM 951 O ASP A 58 -0.174 -0.520 -3.300 1.00 0.00 O ATOM 952 CB ASP A 58 -0.735 2.319 -4.698 1.00 0.00 C ATOM 953 CG ASP A 58 -2.087 2.789 -5.198 1.00 0.00 C ATOM 954 OD1 ASP A 58 -2.887 1.936 -5.637 1.00 0.00 O ATOM 955 OD2 ASP A 58 -2.347 4.010 -5.149 1.00 0.00 O ATOM 0 H ASP A 58 -0.293 3.752 -2.749 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.802 1.425 -3.067 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.025 3.145 -4.748 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.360 1.536 -5.357 1.00 0.00 H new ATOM 960 N GLU A 59 1.416 0.951 -2.712 1.00 0.00 N ATOM 961 CA GLU A 59 2.429 -0.079 -2.514 1.00 0.00 C ATOM 962 C GLU A 59 2.122 -0.912 -1.274 1.00 0.00 C ATOM 963 O GLU A 59 2.223 -2.138 -1.300 1.00 0.00 O ATOM 964 CB GLU A 59 3.824 0.540 -2.403 1.00 0.00 C ATOM 965 CG GLU A 59 3.893 1.739 -1.472 1.00 0.00 C ATOM 966 CD GLU A 59 5.309 2.242 -1.274 1.00 0.00 C ATOM 967 OE1 GLU A 59 6.070 2.277 -2.264 1.00 0.00 O ATOM 968 OE2 GLU A 59 5.658 2.602 -0.130 1.00 0.00 O ATOM 0 H GLU A 59 1.736 1.903 -2.535 1.00 0.00 H new ATOM 0 HA GLU A 59 2.411 -0.735 -3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.521 -0.221 -2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.156 0.844 -3.396 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.279 2.544 -1.876 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.469 1.468 -0.505 1.00 0.00 H new ATOM 975 N ILE A 60 1.729 -0.244 -0.194 1.00 0.00 N ATOM 976 CA ILE A 60 1.390 -0.936 1.041 1.00 0.00 C ATOM 977 C ILE A 60 0.019 -1.584 0.907 1.00 0.00 C ATOM 978 O ILE A 60 -0.211 -2.682 1.406 1.00 0.00 O ATOM 979 CB ILE A 60 1.399 0.013 2.260 1.00 0.00 C ATOM 980 CG1 ILE A 60 2.815 0.545 2.512 1.00 0.00 C ATOM 981 CG2 ILE A 60 0.863 -0.693 3.503 1.00 0.00 C ATOM 982 CD1 ILE A 60 3.765 -0.482 3.099 1.00 0.00 C ATOM 0 H ILE A 60 1.638 0.771 -0.150 1.00 0.00 H new ATOM 0 HA ILE A 60 2.150 -1.699 1.210 1.00 0.00 H new ATOM 0 HB ILE A 60 0.744 0.857 2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.227 0.910 1.572 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.756 1.398 3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.879 -0.005 4.348 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.161 -1.021 3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.487 -1.558 3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.745 -0.028 3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.378 -0.831 4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.856 -1.326 2.415 1.00 0.00 H new ATOM 994 N HIS A 61 -0.883 -0.905 0.209 1.00 0.00 N ATOM 995 CA HIS A 61 -2.223 -1.429 -0.010 1.00 0.00 C ATOM 996 C HIS A 61 -2.167 -2.567 -1.014 1.00 0.00 C ATOM 997 O HIS A 61 -2.871 -3.567 -0.879 1.00 0.00 O ATOM 998 CB HIS A 61 -3.161 -0.328 -0.508 1.00 0.00 C ATOM 999 CG HIS A 61 -4.559 -0.453 0.011 1.00 0.00 C ATOM 1000 ND1 HIS A 61 -5.466 -1.368 -0.484 1.00 0.00 N ATOM 1001 CD2 HIS A 61 -5.206 0.225 0.988 1.00 0.00 C ATOM 1002 CE1 HIS A 61 -6.610 -1.245 0.165 1.00 0.00 C ATOM 1003 NE2 HIS A 61 -6.478 -0.287 1.064 1.00 0.00 N ATOM 0 H HIS A 61 -0.711 0.007 -0.214 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.613 -1.803 0.937 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -2.758 0.641 -0.214 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.184 -0.347 -1.598 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.798 1.020 1.594 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.502 -1.829 -0.010 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.204 0.023 1.711 1.00 0.00 H new ATOM 1012 N SER A 62 -1.304 -2.416 -2.013 1.00 0.00 N ATOM 1013 CA SER A 62 -1.139 -3.449 -3.027 1.00 0.00 C ATOM 1014 C SER A 62 -0.542 -4.698 -2.397 1.00 0.00 C ATOM 1015 O SER A 62 -0.845 -5.818 -2.807 1.00 0.00 O ATOM 1016 CB SER A 62 -0.244 -2.962 -4.167 1.00 0.00 C ATOM 1017 OG SER A 62 0.058 -4.016 -5.066 1.00 0.00 O ATOM 0 H SER A 62 -0.713 -1.595 -2.141 1.00 0.00 H new ATOM 0 HA SER A 62 -2.120 -3.683 -3.441 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.741 -2.154 -4.703 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.680 -2.553 -3.758 1.00 0.00 H new ATOM 0 HG SER A 62 0.630 -3.678 -5.786 1.00 0.00 H new ATOM 1023 N MET A 63 0.307 -4.498 -1.389 1.00 0.00 N ATOM 1024 CA MET A 63 0.938 -5.615 -0.698 1.00 0.00 C ATOM 1025 C MET A 63 -0.116 -6.575 -0.157 1.00 0.00 C ATOM 1026 O MET A 63 0.054 -7.793 -0.214 1.00 0.00 O ATOM 1027 CB MET A 63 1.823 -5.104 0.442 1.00 0.00 C ATOM 1028 CG MET A 63 3.290 -4.982 0.065 1.00 0.00 C ATOM 1029 SD MET A 63 4.234 -6.470 0.449 1.00 0.00 S ATOM 1030 CE MET A 63 5.098 -6.732 -1.097 1.00 0.00 C ATOM 0 H MET A 63 0.571 -3.578 -1.037 1.00 0.00 H new ATOM 0 HA MET A 63 1.562 -6.153 -1.412 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.457 -4.130 0.766 1.00 0.00 H new ATOM 0 HB3 MET A 63 1.730 -5.778 1.293 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.370 -4.771 -1.001 1.00 0.00 H new ATOM 0 HG3 MET A 63 3.727 -4.134 0.592 1.00 0.00 H new ATOM 0 HE1 MET A 63 5.726 -7.620 -1.017 1.00 0.00 H new ATOM 0 HE2 MET A 63 4.374 -6.871 -1.900 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.721 -5.865 -1.317 1.00 0.00 H new ATOM 1040 N ILE A 64 -1.214 -6.021 0.354 1.00 0.00 N ATOM 1041 CA ILE A 64 -2.299 -6.836 0.886 1.00 0.00 C ATOM 1042 C ILE A 64 -2.879 -7.722 -0.205 1.00 0.00 C ATOM 1043 O ILE A 64 -2.980 -8.935 -0.041 1.00 0.00 O ATOM 1044 CB ILE A 64 -3.416 -5.961 1.486 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -2.935 -5.322 2.787 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -4.683 -6.775 1.728 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -2.803 -3.817 2.698 1.00 0.00 C ATOM 0 H ILE A 64 -1.374 -5.015 0.410 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.885 -7.459 1.679 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.657 -5.174 0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.632 -5.573 3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.970 -5.750 3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.454 -6.131 2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.035 -7.189 0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.467 -7.587 2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.458 -3.425 3.655 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.084 -3.560 1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.772 -3.380 2.455 1.00 0.00 H new ATOM 1059 N ILE A 65 -3.243 -7.112 -1.327 1.00 0.00 N ATOM 1060 CA ILE A 65 -3.791 -7.857 -2.450 1.00 0.00 C ATOM 1061 C ILE A 65 -2.844 -8.982 -2.836 1.00 0.00 C ATOM 1062 O ILE A 65 -3.257 -10.128 -3.015 1.00 0.00 O ATOM 1063 CB ILE A 65 -4.018 -6.949 -3.669 1.00 0.00 C ATOM 1064 CG1 ILE A 65 -4.931 -5.778 -3.298 1.00 0.00 C ATOM 1065 CG2 ILE A 65 -4.609 -7.742 -4.827 1.00 0.00 C ATOM 1066 CD1 ILE A 65 -6.268 -6.210 -2.732 1.00 0.00 C ATOM 0 H ILE A 65 -3.168 -6.107 -1.481 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.752 -8.267 -2.140 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.054 -6.550 -3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.423 -5.148 -2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.101 -5.165 -4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.762 -7.081 -5.680 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.924 -8.543 -5.107 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.564 -8.171 -4.524 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.863 -5.329 -2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.797 -6.815 -3.469 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.108 -6.797 -1.828 1.00 0.00 H new ATOM 1078 N GLU A 66 -1.563 -8.647 -2.939 1.00 0.00 N ATOM 1079 CA GLU A 66 -0.549 -9.630 -3.274 1.00 0.00 C ATOM 1080 C GLU A 66 -0.400 -10.626 -2.131 1.00 0.00 C ATOM 1081 O GLU A 66 0.060 -11.751 -2.329 1.00 0.00 O ATOM 1082 CB GLU A 66 0.790 -8.948 -3.559 1.00 0.00 C ATOM 1083 CG GLU A 66 1.871 -9.904 -4.035 1.00 0.00 C ATOM 1084 CD GLU A 66 2.895 -9.230 -4.927 1.00 0.00 C ATOM 1085 OE1 GLU A 66 3.023 -7.990 -4.852 1.00 0.00 O ATOM 1086 OE2 GLU A 66 3.569 -9.941 -5.702 1.00 0.00 O ATOM 0 H GLU A 66 -1.206 -7.702 -2.795 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.860 -10.161 -4.174 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.641 -8.176 -4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.133 -8.447 -2.654 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.376 -10.335 -3.170 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.408 -10.728 -4.578 1.00 0.00 H new ATOM 1093 N TYR A 67 -0.807 -10.209 -0.932 1.00 0.00 N ATOM 1094 CA TYR A 67 -0.730 -11.075 0.238 1.00 0.00 C ATOM 1095 C TYR A 67 -1.982 -11.941 0.340 1.00 0.00 C ATOM 1096 O TYR A 67 -1.941 -13.052 0.869 1.00 0.00 O ATOM 1097 CB TYR A 67 -0.564 -10.245 1.510 1.00 0.00 C ATOM 1098 CG TYR A 67 0.013 -11.027 2.668 1.00 0.00 C ATOM 1099 CD1 TYR A 67 -0.755 -11.962 3.351 1.00 0.00 C ATOM 1100 CD2 TYR A 67 1.326 -10.831 3.078 1.00 0.00 C ATOM 1101 CE1 TYR A 67 -0.230 -12.680 4.409 1.00 0.00 C ATOM 1102 CE2 TYR A 67 1.858 -11.546 4.134 1.00 0.00 C ATOM 1103 CZ TYR A 67 1.076 -12.469 4.797 1.00 0.00 C ATOM 1104 OH TYR A 67 1.601 -13.183 5.849 1.00 0.00 O ATOM 0 H TYR A 67 -1.191 -9.282 -0.749 1.00 0.00 H new ATOM 0 HA TYR A 67 0.140 -11.723 0.128 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.084 -9.394 1.298 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.534 -9.842 1.801 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.779 -12.130 3.050 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.941 -10.108 2.563 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.840 -13.403 4.930 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.881 -11.383 4.439 1.00 0.00 H new ATOM 0 HH TYR A 67 2.533 -12.916 5.993 1.00 0.00 H new ATOM 1114 N ARG A 68 -3.091 -11.421 -0.174 1.00 0.00 N ATOM 1115 CA ARG A 68 -4.360 -12.135 -0.152 1.00 0.00 C ATOM 1116 C ARG A 68 -4.384 -13.208 -1.235 1.00 0.00 C ATOM 1117 O ARG A 68 -4.956 -14.281 -1.048 1.00 0.00 O ATOM 1118 CB ARG A 68 -5.517 -11.148 -0.345 1.00 0.00 C ATOM 1119 CG ARG A 68 -6.877 -11.806 -0.520 1.00 0.00 C ATOM 1120 CD ARG A 68 -7.460 -12.250 0.813 1.00 0.00 C ATOM 1121 NE ARG A 68 -7.196 -13.660 1.084 1.00 0.00 N ATOM 1122 CZ ARG A 68 -7.928 -14.409 1.906 1.00 0.00 C ATOM 1123 NH1 ARG A 68 -8.967 -13.885 2.547 1.00 0.00 N ATOM 1124 NH2 ARG A 68 -7.620 -15.685 2.090 1.00 0.00 N ATOM 0 H ARG A 68 -3.135 -10.502 -0.613 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.475 -12.624 0.815 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.557 -10.480 0.516 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.310 -10.530 -1.219 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.561 -11.107 -1.002 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.783 -12.667 -1.181 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.038 -11.642 1.613 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.536 -12.076 0.814 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.403 -14.098 0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.208 -12.903 2.411 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.524 -14.464 3.175 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.822 -16.093 1.602 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.180 -16.259 2.720 1.00 0.00 H new ATOM 1138 N GLU A 69 -3.748 -12.914 -2.365 1.00 0.00 N ATOM 1139 CA GLU A 69 -3.687 -13.859 -3.472 1.00 0.00 C ATOM 1140 C GLU A 69 -2.592 -14.896 -3.237 1.00 0.00 C ATOM 1141 O GLU A 69 -2.539 -15.922 -3.912 1.00 0.00 O ATOM 1142 CB GLU A 69 -3.440 -13.121 -4.791 1.00 0.00 C ATOM 1143 CG GLU A 69 -4.380 -13.543 -5.908 1.00 0.00 C ATOM 1144 CD GLU A 69 -5.515 -12.560 -6.116 1.00 0.00 C ATOM 1145 OE1 GLU A 69 -6.429 -12.519 -5.265 1.00 0.00 O ATOM 1146 OE2 GLU A 69 -5.490 -11.830 -7.130 1.00 0.00 O ATOM 0 H GLU A 69 -3.269 -12.030 -2.537 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.645 -14.375 -3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.546 -12.049 -4.624 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.412 -13.294 -5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.815 -13.642 -6.835 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.792 -14.526 -5.679 1.00 0.00 H new ATOM 1153 N LYS A 70 -1.731 -14.627 -2.260 1.00 0.00 N ATOM 1154 CA LYS A 70 -0.653 -15.531 -1.910 1.00 0.00 C ATOM 1155 C LYS A 70 -1.135 -16.490 -0.838 1.00 0.00 C ATOM 1156 O LYS A 70 -0.941 -17.695 -0.938 1.00 0.00 O ATOM 1157 CB LYS A 70 0.564 -14.746 -1.414 1.00 0.00 C ATOM 1158 CG LYS A 70 1.679 -15.627 -0.870 1.00 0.00 C ATOM 1159 CD LYS A 70 2.929 -14.818 -0.566 1.00 0.00 C ATOM 1160 CE LYS A 70 2.970 -14.382 0.890 1.00 0.00 C ATOM 1161 NZ LYS A 70 3.879 -15.238 1.702 1.00 0.00 N ATOM 0 H LYS A 70 -1.765 -13.779 -1.694 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.355 -16.095 -2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.956 -14.144 -2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.246 -14.054 -0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.339 -16.128 0.036 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.916 -16.406 -1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.813 -15.413 -0.794 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.961 -13.940 -1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.300 -13.345 0.949 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.964 -14.421 1.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.878 -14.907 2.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.550 -16.224 1.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.844 -15.181 1.319 1.00 0.00 H new ATOM 1175 N GLN A 71 -1.780 -15.939 0.185 1.00 0.00 N ATOM 1176 CA GLN A 71 -2.308 -16.746 1.274 1.00 0.00 C ATOM 1177 C GLN A 71 -3.552 -17.488 0.824 1.00 0.00 C ATOM 1178 O GLN A 71 -3.842 -18.575 1.311 1.00 0.00 O ATOM 1179 CB GLN A 71 -2.625 -15.871 2.489 1.00 0.00 C ATOM 1180 CG GLN A 71 -3.133 -16.655 3.687 1.00 0.00 C ATOM 1181 CD GLN A 71 -3.997 -15.816 4.609 1.00 0.00 C ATOM 1182 OE1 GLN A 71 -5.212 -15.999 4.677 1.00 0.00 O ATOM 1183 NE2 GLN A 71 -3.372 -14.888 5.325 1.00 0.00 N ATOM 0 H GLN A 71 -1.949 -14.938 0.281 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.549 -17.474 1.561 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.727 -15.325 2.777 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.372 -15.129 2.207 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -3.707 -17.513 3.338 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.284 -17.046 4.247 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.363 -14.770 5.238 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.901 -14.293 5.962 1.00 0.00 H new ATOM 1192 N LYS A 72 -4.279 -16.913 -0.122 1.00 0.00 N ATOM 1193 CA LYS A 72 -5.473 -17.566 -0.624 1.00 0.00 C ATOM 1194 C LYS A 72 -5.101 -18.582 -1.690 1.00 0.00 C ATOM 1195 O LYS A 72 -5.809 -19.559 -1.907 1.00 0.00 O ATOM 1196 CB LYS A 72 -6.473 -16.547 -1.174 1.00 0.00 C ATOM 1197 CG LYS A 72 -7.863 -17.120 -1.400 1.00 0.00 C ATOM 1198 CD LYS A 72 -8.402 -16.758 -2.775 1.00 0.00 C ATOM 1199 CE LYS A 72 -9.630 -17.582 -3.126 1.00 0.00 C ATOM 1200 NZ LYS A 72 -10.847 -17.095 -2.421 1.00 0.00 N ATOM 0 H LYS A 72 -4.067 -16.012 -0.550 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.954 -18.085 0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.543 -15.708 -0.481 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.095 -16.151 -2.116 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.831 -18.204 -1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.541 -16.745 -0.633 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.654 -15.698 -2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.628 -16.920 -3.525 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.796 -17.546 -4.203 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.453 -18.626 -2.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.662 -17.684 -2.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.699 -17.153 -1.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.031 -16.107 -2.689 1.00 0.00 H new ATOM 1214 N SER A 73 -3.966 -18.363 -2.331 1.00 0.00 N ATOM 1215 CA SER A 73 -3.486 -19.285 -3.340 1.00 0.00 C ATOM 1216 C SER A 73 -2.607 -20.329 -2.671 1.00 0.00 C ATOM 1217 O SER A 73 -2.591 -21.495 -3.066 1.00 0.00 O ATOM 1218 CB SER A 73 -2.701 -18.547 -4.419 1.00 0.00 C ATOM 1219 OG SER A 73 -2.274 -19.433 -5.438 1.00 0.00 O ATOM 0 H SER A 73 -3.363 -17.557 -2.170 1.00 0.00 H new ATOM 0 HA SER A 73 -4.337 -19.769 -3.819 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.322 -17.763 -4.852 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.835 -18.058 -3.972 1.00 0.00 H new ATOM 0 HG SER A 73 -1.775 -18.934 -6.118 1.00 0.00 H new ATOM 1225 N GLU A 74 -1.880 -19.896 -1.641 1.00 0.00 N ATOM 1226 CA GLU A 74 -1.002 -20.796 -0.903 1.00 0.00 C ATOM 1227 C GLU A 74 -1.760 -21.521 0.207 1.00 0.00 C ATOM 1228 O GLU A 74 -1.579 -22.723 0.399 1.00 0.00 O ATOM 1229 CB GLU A 74 0.187 -20.038 -0.307 1.00 0.00 C ATOM 1230 CG GLU A 74 1.102 -19.419 -1.352 1.00 0.00 C ATOM 1231 CD GLU A 74 2.320 -20.274 -1.641 1.00 0.00 C ATOM 1232 OE1 GLU A 74 2.968 -20.729 -0.675 1.00 0.00 O ATOM 1233 OE2 GLU A 74 2.625 -20.489 -2.832 1.00 0.00 O ATOM 0 H GLU A 74 -1.883 -18.934 -1.302 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.629 -21.536 -1.611 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.186 -19.251 0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.768 -20.721 0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.542 -19.267 -2.275 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.426 -18.436 -1.010 1.00 0.00 H new ATOM 1240 N ARG A 75 -2.614 -20.800 0.938 1.00 0.00 N ATOM 1241 CA ARG A 75 -3.382 -21.421 2.011 1.00 0.00 C ATOM 1242 C ARG A 75 -4.715 -21.928 1.486 1.00 0.00 C ATOM 1243 O ARG A 75 -5.250 -22.921 1.977 1.00 0.00 O ATOM 1244 CB ARG A 75 -3.602 -20.450 3.175 1.00 0.00 C ATOM 1245 CG ARG A 75 -2.379 -19.612 3.509 1.00 0.00 C ATOM 1246 CD ARG A 75 -1.169 -20.484 3.808 1.00 0.00 C ATOM 1247 NE ARG A 75 -0.462 -20.049 5.008 1.00 0.00 N ATOM 1248 CZ ARG A 75 0.670 -20.599 5.444 1.00 0.00 C ATOM 1249 NH1 ARG A 75 1.225 -21.605 4.779 1.00 0.00 N ATOM 1250 NH2 ARG A 75 1.247 -20.143 6.547 1.00 0.00 N ATOM 0 H ARG A 75 -2.787 -19.803 0.808 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.806 -22.267 2.385 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.431 -19.786 2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.896 -21.016 4.059 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.153 -18.948 2.675 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.594 -18.979 4.370 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.490 -21.518 3.932 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.487 -20.461 2.958 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.858 -19.278 5.545 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.784 -21.960 3.930 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.092 -22.023 5.117 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.824 -19.371 7.062 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.114 -20.564 6.881 1.00 0.00 H new ATOM 1264 N ALA A 76 -5.248 -21.241 0.480 1.00 0.00 N ATOM 1265 CA ALA A 76 -6.524 -21.637 -0.109 1.00 0.00 C ATOM 1266 C ALA A 76 -6.338 -22.155 -1.532 1.00 0.00 C ATOM 1267 O ALA A 76 -7.343 -22.232 -2.269 1.00 0.00 O ATOM 1268 CB ALA A 76 -7.506 -20.475 -0.086 1.00 0.00 C ATOM 1269 OXT ALA A 76 -5.188 -22.478 -1.898 1.00 0.00 O ATOM 0 H ALA A 76 -4.822 -20.416 0.059 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.933 -22.449 0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.451 -20.789 -0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.674 -20.161 0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.097 -19.641 -0.657 1.00 0.00 H new TER 1275 ALA A 76