USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 594 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 58 THR OG1 : rot 180:sc= 1.05 USER MOD Set 1.2: A 61 THR OG1 : rot -97:sc= 0.952 USER MOD Set 2.1: A 40 LYS NZ :NH3+ -164:sc= 0.774! (180deg=0.539!) USER MOD Set 2.2: A 42 SER OG : rot 164:sc= 2 USER MOD Set 3.1: A 11 THR OG1 : rot -11:sc= 1.85 USER MOD Set 3.2: A 49 THR OG1 : rot 130:sc= 1.66 USER MOD Set 4.1: A 8 ASN : amide:sc= 1.28 X(o=1.9,f=1.9) USER MOD Set 4.2: A 52 TYR OH : rot -111:sc= 0.63 USER MOD Set 5.1: A 4 SER OG : rot -82:sc= 2.17 USER MOD Set 5.2: A 55 LYS NZ :NH3+ -129:sc= 0.887! (180deg=-2.41!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 160:sc= 1 USER MOD Single : A 17 MET CE :methyl -116:sc= -4.71! (180deg=-8.61!) USER MOD Single : A 20 ASN : amide:sc= -2.99! C(o=-3!,f=-12!) USER MOD Single : A 25 THR OG1 : rot 106:sc= 1.08 USER MOD Single : A 28 GLN : amide:sc= 1.05 K(o=1.1,f=-0.18) USER MOD Single : A 29 GLN : amide:sc= -0.606 X(o=-0.61,f=-0.93) USER MOD Single : A 32 LYS NZ :NH3+ 179:sc= 0.705! (180deg=0.703!) USER MOD Single : A 34 ASN : amide:sc=-0.00146 X(o=-0.0015,f=-0.026) USER MOD Single : A 37 HIS :FLIP no HD1:sc= -0.841 F(o=-2.9,f=-0.84) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -1.97! C(o=-3.3!,f=-2!) USER MOD Single : A 46 LYS NZ :NH3+ -150:sc= 0.447 (180deg=-0.988) USER MOD Single : A 47 ASN : amide:sc= 0.246 K(o=0.25,f=-0.85) USER MOD Single : A 57 GLN : amide:sc= -0.838 K(o=-0.84,f=-13!) USER MOD Single : A 60 LYS NZ :NH3+ -165:sc= 1.05 (180deg=0.438) USER MOD Single : A 63 GLN : amide:sc= 0.912 K(o=0.91,f=-1.4) USER MOD Single : A 69 MET CE :methyl -142:sc= -4.87! (180deg=-7.36!) USER MOD Single : A 76 HIS : no HE2:sc= 0.705 K(o=0.7,f=-4.5!) USER MOD Single : A 77 ASN : amide:sc= 1.73 K(o=1.7,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.114 -27.978 3.644 1.00 0.00 N ATOM 2 CA MET A 1 3.660 -27.216 2.473 1.00 0.00 C ATOM 3 C MET A 1 2.924 -25.880 2.300 1.00 0.00 C ATOM 4 O MET A 1 2.029 -25.559 3.055 1.00 0.00 O ATOM 5 CB MET A 1 3.426 -28.117 1.254 1.00 0.00 C ATOM 6 CG MET A 1 4.742 -28.306 0.500 1.00 0.00 C ATOM 7 SD MET A 1 5.848 -29.337 1.494 1.00 0.00 S ATOM 8 CE MET A 1 7.328 -28.309 1.328 1.00 0.00 C ATOM 0 H1 MET A 1 3.626 -28.878 3.742 1.00 0.00 H new ATOM 0 H2 MET A 1 3.233 -27.415 4.510 1.00 0.00 H new ATOM 0 H3 MET A 1 2.103 -28.170 3.492 1.00 0.00 H new ATOM 0 HA MET A 1 4.715 -26.978 2.607 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.035 -29.083 1.572 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.679 -27.671 0.597 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.558 -28.775 -0.467 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.205 -27.339 0.302 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.152 -28.766 1.876 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.595 -28.223 0.275 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.129 -27.317 1.734 1.00 0.00 H new ATOM 20 N ASP A 2 3.305 -25.110 1.301 1.00 0.00 N ATOM 21 CA ASP A 2 2.650 -23.783 1.034 1.00 0.00 C ATOM 22 C ASP A 2 2.355 -23.007 2.326 1.00 0.00 C ATOM 23 O ASP A 2 1.213 -22.740 2.647 1.00 0.00 O ATOM 24 CB ASP A 2 1.363 -24.131 0.281 1.00 0.00 C ATOM 25 CG ASP A 2 1.631 -24.094 -1.220 1.00 0.00 C ATOM 26 OD1 ASP A 2 2.072 -25.100 -1.745 1.00 0.00 O ATOM 27 OD2 ASP A 2 1.399 -23.057 -1.815 1.00 0.00 O ATOM 0 H ASP A 2 4.053 -25.349 0.650 1.00 0.00 H new ATOM 0 HA ASP A 2 3.301 -23.124 0.459 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.012 -25.120 0.575 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.575 -23.424 0.539 1.00 0.00 H new ATOM 32 N PRO A 3 3.410 -22.622 3.006 1.00 0.00 N ATOM 33 CA PRO A 3 3.256 -21.818 4.243 1.00 0.00 C ATOM 34 C PRO A 3 2.786 -20.399 3.882 1.00 0.00 C ATOM 35 O PRO A 3 2.284 -19.669 4.722 1.00 0.00 O ATOM 36 CB PRO A 3 4.659 -21.813 4.848 1.00 0.00 C ATOM 37 CG PRO A 3 5.578 -22.050 3.693 1.00 0.00 C ATOM 38 CD PRO A 3 4.822 -22.892 2.696 1.00 0.00 C ATOM 0 HA PRO A 3 2.516 -22.215 4.938 1.00 0.00 H new ATOM 0 HB2 PRO A 3 4.875 -20.863 5.336 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.766 -22.591 5.604 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.887 -21.105 3.245 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.485 -22.559 4.019 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.067 -22.614 1.671 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.060 -23.950 2.804 1.00 0.00 H new ATOM 46 N SER A 4 2.937 -20.004 2.632 1.00 0.00 N ATOM 47 CA SER A 4 2.485 -18.634 2.211 1.00 0.00 C ATOM 48 C SER A 4 1.790 -18.653 0.836 1.00 0.00 C ATOM 49 O SER A 4 1.357 -17.623 0.356 1.00 0.00 O ATOM 50 CB SER A 4 3.756 -17.789 2.143 1.00 0.00 C ATOM 51 OG SER A 4 3.820 -16.948 3.293 1.00 0.00 O ATOM 0 H SER A 4 3.351 -20.569 1.891 1.00 0.00 H new ATOM 0 HA SER A 4 1.754 -18.236 2.915 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.634 -18.433 2.099 1.00 0.00 H new ATOM 0 HB3 SER A 4 3.758 -17.185 1.235 1.00 0.00 H new ATOM 0 HG SER A 4 3.267 -16.152 3.147 1.00 0.00 H new ATOM 57 N MET A 5 1.675 -19.805 0.201 1.00 0.00 N ATOM 58 CA MET A 5 1.001 -19.895 -1.142 1.00 0.00 C ATOM 59 C MET A 5 1.479 -18.794 -2.117 1.00 0.00 C ATOM 60 O MET A 5 0.756 -18.393 -3.008 1.00 0.00 O ATOM 61 CB MET A 5 -0.491 -19.743 -0.833 1.00 0.00 C ATOM 62 CG MET A 5 -1.275 -20.856 -1.536 1.00 0.00 C ATOM 63 SD MET A 5 -2.484 -21.560 -0.387 1.00 0.00 S ATOM 64 CE MET A 5 -3.226 -22.744 -1.537 1.00 0.00 C ATOM 0 H MET A 5 2.023 -20.694 0.561 1.00 0.00 H new ATOM 0 HA MET A 5 1.236 -20.835 -1.642 1.00 0.00 H new ATOM 0 HB2 MET A 5 -0.657 -19.791 0.243 1.00 0.00 H new ATOM 0 HB3 MET A 5 -0.845 -18.768 -1.167 1.00 0.00 H new ATOM 0 HG2 MET A 5 -1.782 -20.459 -2.416 1.00 0.00 H new ATOM 0 HG3 MET A 5 -0.593 -21.632 -1.884 1.00 0.00 H new ATOM 0 HE1 MET A 5 -4.014 -23.300 -1.029 1.00 0.00 H new ATOM 0 HE2 MET A 5 -3.650 -22.209 -2.387 1.00 0.00 H new ATOM 0 HE3 MET A 5 -2.462 -23.437 -1.889 1.00 0.00 H new ATOM 74 N GLY A 6 2.695 -18.319 -1.967 1.00 0.00 N ATOM 75 CA GLY A 6 3.218 -17.259 -2.892 1.00 0.00 C ATOM 76 C GLY A 6 2.948 -15.846 -2.340 1.00 0.00 C ATOM 77 O GLY A 6 3.245 -14.867 -2.997 1.00 0.00 O ATOM 0 H GLY A 6 3.348 -18.620 -1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.290 -17.396 -3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 6 2.749 -17.364 -3.870 1.00 0.00 H new ATOM 81 N VAL A 7 2.389 -15.728 -1.149 1.00 0.00 N ATOM 82 CA VAL A 7 2.100 -14.369 -0.562 1.00 0.00 C ATOM 83 C VAL A 7 1.045 -13.640 -1.418 1.00 0.00 C ATOM 84 O VAL A 7 0.623 -14.133 -2.446 1.00 0.00 O ATOM 85 CB VAL A 7 3.444 -13.610 -0.560 1.00 0.00 C ATOM 86 CG1 VAL A 7 3.346 -12.390 0.353 1.00 0.00 C ATOM 87 CG2 VAL A 7 4.563 -14.513 -0.029 1.00 0.00 C ATOM 0 H VAL A 7 2.121 -16.515 -0.558 1.00 0.00 H new ATOM 0 HA VAL A 7 1.695 -14.437 0.448 1.00 0.00 H new ATOM 0 HB VAL A 7 3.666 -13.304 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.297 -11.857 0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.559 -11.728 -0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.113 -12.713 1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.505 -13.965 -0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.328 -14.823 0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.653 -15.394 -0.665 1.00 0.00 H new ATOM 97 N ASN A 8 0.598 -12.482 -0.999 1.00 0.00 N ATOM 98 CA ASN A 8 -0.440 -11.751 -1.794 1.00 0.00 C ATOM 99 C ASN A 8 0.088 -10.406 -2.306 1.00 0.00 C ATOM 100 O ASN A 8 0.971 -9.807 -1.723 1.00 0.00 O ATOM 101 CB ASN A 8 -1.595 -11.528 -0.818 1.00 0.00 C ATOM 102 CG ASN A 8 -2.891 -12.052 -1.431 1.00 0.00 C ATOM 103 OD1 ASN A 8 -3.033 -13.230 -1.669 1.00 0.00 O ATOM 104 ND2 ASN A 8 -3.850 -11.223 -1.703 1.00 0.00 N ATOM 0 H ASN A 8 0.904 -12.013 -0.147 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.738 -12.317 -2.677 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.393 -12.039 0.123 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.692 -10.467 -0.590 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.718 -11.565 -2.115 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.736 -10.229 -1.505 1.00 0.00 H new ATOM 111 N SER A 9 -0.470 -9.916 -3.385 1.00 0.00 N ATOM 112 CA SER A 9 -0.026 -8.597 -3.932 1.00 0.00 C ATOM 113 C SER A 9 -1.190 -7.613 -3.930 1.00 0.00 C ATOM 114 O SER A 9 -2.336 -7.989 -4.095 1.00 0.00 O ATOM 115 CB SER A 9 0.446 -8.876 -5.361 1.00 0.00 C ATOM 116 OG SER A 9 0.625 -7.640 -6.049 1.00 0.00 O ATOM 0 H SER A 9 -1.215 -10.373 -3.911 1.00 0.00 H new ATOM 0 HA SER A 9 0.770 -8.154 -3.333 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.382 -9.435 -5.344 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.285 -9.493 -5.883 1.00 0.00 H new ATOM 0 HG SER A 9 0.929 -7.816 -6.964 1.00 0.00 H new ATOM 122 N VAL A 10 -0.912 -6.356 -3.717 1.00 0.00 N ATOM 123 CA VAL A 10 -2.012 -5.354 -3.678 1.00 0.00 C ATOM 124 C VAL A 10 -1.596 -4.046 -4.367 1.00 0.00 C ATOM 125 O VAL A 10 -0.519 -3.514 -4.140 1.00 0.00 O ATOM 126 CB VAL A 10 -2.291 -5.156 -2.176 1.00 0.00 C ATOM 127 CG1 VAL A 10 -2.385 -3.666 -1.833 1.00 0.00 C ATOM 128 CG2 VAL A 10 -3.618 -5.827 -1.824 1.00 0.00 C ATOM 0 H VAL A 10 0.025 -5.982 -3.569 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.902 -5.684 -4.215 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.473 -5.598 -1.607 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.582 -3.550 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.445 -3.175 -2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.195 -3.212 -2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.824 -5.692 -0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.420 -5.377 -2.409 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.558 -6.892 -2.049 1.00 0.00 H new ATOM 138 N THR A 11 -2.461 -3.525 -5.198 1.00 0.00 N ATOM 139 CA THR A 11 -2.166 -2.249 -5.905 1.00 0.00 C ATOM 140 C THR A 11 -3.063 -1.140 -5.343 1.00 0.00 C ATOM 141 O THR A 11 -4.279 -1.200 -5.425 1.00 0.00 O ATOM 142 CB THR A 11 -2.476 -2.526 -7.376 1.00 0.00 C ATOM 143 OG1 THR A 11 -1.577 -3.512 -7.867 1.00 0.00 O ATOM 144 CG2 THR A 11 -2.301 -1.245 -8.185 1.00 0.00 C ATOM 0 H THR A 11 -3.368 -3.936 -5.417 1.00 0.00 H new ATOM 0 HA THR A 11 -1.135 -1.919 -5.779 1.00 0.00 H new ATOM 0 HB THR A 11 -3.503 -2.880 -7.470 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.864 -3.660 -7.211 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.522 -1.444 -9.234 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.982 -0.481 -7.809 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.274 -0.893 -8.091 1.00 0.00 H new ATOM 152 N ILE A 12 -2.471 -0.142 -4.748 1.00 0.00 N ATOM 153 CA ILE A 12 -3.275 0.961 -4.143 1.00 0.00 C ATOM 154 C ILE A 12 -3.146 2.248 -4.967 1.00 0.00 C ATOM 155 O ILE A 12 -2.099 2.552 -5.512 1.00 0.00 O ATOM 156 CB ILE A 12 -2.664 1.133 -2.743 1.00 0.00 C ATOM 157 CG1 ILE A 12 -3.105 -0.035 -1.859 1.00 0.00 C ATOM 158 CG2 ILE A 12 -3.129 2.446 -2.107 1.00 0.00 C ATOM 159 CD1 ILE A 12 -1.932 -0.501 -0.993 1.00 0.00 C ATOM 0 H ILE A 12 -1.460 -0.041 -4.653 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.342 0.739 -4.110 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.578 1.153 -2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.938 0.270 -1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.461 -0.858 -2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.685 2.548 -1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.818 3.283 -2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.215 2.443 -2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.251 -1.333 -0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.112 -0.824 -1.634 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.596 0.322 -0.362 1.00 0.00 H new ATOM 171 N SER A 13 -4.206 3.014 -5.041 1.00 0.00 N ATOM 172 CA SER A 13 -4.150 4.300 -5.803 1.00 0.00 C ATOM 173 C SER A 13 -3.456 5.345 -4.929 1.00 0.00 C ATOM 174 O SER A 13 -3.687 5.403 -3.740 1.00 0.00 O ATOM 175 CB SER A 13 -5.610 4.676 -6.088 1.00 0.00 C ATOM 176 OG SER A 13 -6.024 5.722 -5.210 1.00 0.00 O ATOM 0 H SER A 13 -5.106 2.805 -4.608 1.00 0.00 H new ATOM 0 HA SER A 13 -3.592 4.228 -6.737 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.716 4.996 -7.124 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.251 3.804 -5.957 1.00 0.00 H new ATOM 0 HG SER A 13 -6.809 6.173 -5.586 1.00 0.00 H new ATOM 182 N VAL A 14 -2.585 6.143 -5.483 1.00 0.00 N ATOM 183 CA VAL A 14 -1.874 7.135 -4.636 1.00 0.00 C ATOM 184 C VAL A 14 -1.953 8.555 -5.226 1.00 0.00 C ATOM 185 O VAL A 14 -1.352 8.861 -6.240 1.00 0.00 O ATOM 186 CB VAL A 14 -0.427 6.597 -4.560 1.00 0.00 C ATOM 187 CG1 VAL A 14 0.597 7.671 -4.940 1.00 0.00 C ATOM 188 CG2 VAL A 14 -0.141 6.121 -3.134 1.00 0.00 C ATOM 0 H VAL A 14 -2.339 6.150 -6.473 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.319 7.237 -3.646 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.337 5.773 -5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.602 7.255 -4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.410 8.008 -5.960 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.509 8.516 -4.257 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.879 5.740 -3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.258 6.955 -2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.840 5.328 -2.868 1.00 0.00 H new ATOM 198 N GLU A 15 -2.673 9.426 -4.568 1.00 0.00 N ATOM 199 CA GLU A 15 -2.778 10.835 -5.031 1.00 0.00 C ATOM 200 C GLU A 15 -2.304 11.759 -3.900 1.00 0.00 C ATOM 201 O GLU A 15 -2.063 11.316 -2.788 1.00 0.00 O ATOM 202 CB GLU A 15 -4.257 11.062 -5.363 1.00 0.00 C ATOM 203 CG GLU A 15 -4.450 12.454 -5.996 1.00 0.00 C ATOM 204 CD GLU A 15 -3.411 12.700 -7.099 1.00 0.00 C ATOM 205 OE1 GLU A 15 -3.689 12.360 -8.236 1.00 0.00 O ATOM 206 OE2 GLU A 15 -2.356 13.235 -6.784 1.00 0.00 O ATOM 0 H GLU A 15 -3.198 9.215 -3.719 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.162 11.043 -5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.606 10.290 -6.049 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.858 10.979 -4.457 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.454 12.533 -6.412 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.361 13.223 -5.229 1.00 0.00 H new ATOM 213 N GLY A 16 -2.133 13.024 -4.169 1.00 0.00 N ATOM 214 CA GLY A 16 -1.642 13.949 -3.106 1.00 0.00 C ATOM 215 C GLY A 16 -0.150 13.695 -2.868 1.00 0.00 C ATOM 216 O GLY A 16 0.369 13.956 -1.801 1.00 0.00 O ATOM 0 H GLY A 16 -2.311 13.457 -5.075 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.804 14.985 -3.405 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.202 13.792 -2.184 1.00 0.00 H new ATOM 220 N MET A 17 0.550 13.183 -3.857 1.00 0.00 N ATOM 221 CA MET A 17 2.011 12.916 -3.683 1.00 0.00 C ATOM 222 C MET A 17 2.774 14.237 -3.512 1.00 0.00 C ATOM 223 O MET A 17 3.741 14.319 -2.782 1.00 0.00 O ATOM 224 CB MET A 17 2.460 12.217 -4.975 1.00 0.00 C ATOM 225 CG MET A 17 2.039 10.748 -4.961 1.00 0.00 C ATOM 226 SD MET A 17 2.984 9.867 -3.697 1.00 0.00 S ATOM 227 CE MET A 17 1.586 9.521 -2.605 1.00 0.00 C ATOM 0 H MET A 17 0.171 12.940 -4.772 1.00 0.00 H new ATOM 0 HA MET A 17 2.207 12.307 -2.801 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.023 12.719 -5.838 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.543 12.290 -5.078 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.972 10.666 -4.756 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.212 10.299 -5.939 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.730 10.036 -1.655 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.665 9.870 -3.071 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.519 8.447 -2.429 1.00 0.00 H new ATOM 237 N THR A 18 2.349 15.258 -4.202 1.00 0.00 N ATOM 238 CA THR A 18 3.009 16.620 -4.137 1.00 0.00 C ATOM 239 C THR A 18 4.491 16.580 -4.547 1.00 0.00 C ATOM 240 O THR A 18 4.961 17.451 -5.249 1.00 0.00 O ATOM 241 CB THR A 18 2.867 17.139 -2.681 1.00 0.00 C ATOM 242 OG1 THR A 18 3.992 16.753 -1.883 1.00 0.00 O ATOM 243 CG2 THR A 18 1.589 16.605 -2.034 1.00 0.00 C ATOM 0 H THR A 18 1.548 15.216 -4.831 1.00 0.00 H new ATOM 0 HA THR A 18 2.517 17.286 -4.846 1.00 0.00 H new ATOM 0 HB THR A 18 2.820 18.227 -2.729 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.512 16.983 -1.014 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.724 16.935 -2.610 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.618 15.516 -2.016 1.00 0.00 H new ATOM 251 N CYS A 19 5.228 15.596 -4.098 1.00 0.00 N ATOM 252 CA CYS A 19 6.679 15.508 -4.427 1.00 0.00 C ATOM 253 C CYS A 19 7.301 14.278 -3.756 1.00 0.00 C ATOM 254 O CYS A 19 6.736 13.723 -2.822 1.00 0.00 O ATOM 255 CB CYS A 19 7.281 16.778 -3.825 1.00 0.00 C ATOM 256 SG CYS A 19 6.764 16.919 -2.088 1.00 0.00 S ATOM 0 H CYS A 19 4.879 14.840 -3.509 1.00 0.00 H new ATOM 0 HA CYS A 19 6.856 15.419 -5.499 1.00 0.00 H new ATOM 0 HB2 CYS A 19 8.368 16.746 -3.892 1.00 0.00 H new ATOM 0 HB3 CYS A 19 6.952 17.652 -4.387 1.00 0.00 H new ATOM 261 N ASN A 20 8.467 13.888 -4.217 1.00 0.00 N ATOM 262 CA ASN A 20 9.215 12.712 -3.641 1.00 0.00 C ATOM 263 C ASN A 20 9.013 12.600 -2.120 1.00 0.00 C ATOM 264 O ASN A 20 8.903 11.517 -1.583 1.00 0.00 O ATOM 265 CB ASN A 20 10.694 12.979 -3.974 1.00 0.00 C ATOM 266 CG ASN A 20 11.014 14.481 -3.875 1.00 0.00 C ATOM 267 OD1 ASN A 20 10.566 15.158 -2.971 1.00 0.00 O ATOM 268 ND2 ASN A 20 11.772 15.036 -4.777 1.00 0.00 N ATOM 0 H ASN A 20 8.948 14.347 -4.991 1.00 0.00 H new ATOM 0 HA ASN A 20 8.858 11.770 -4.059 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.332 12.421 -3.289 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.915 12.621 -4.979 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.986 16.032 -4.721 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.152 14.475 -5.539 1.00 0.00 H new ATOM 275 N SER A 21 8.943 13.714 -1.433 1.00 0.00 N ATOM 276 CA SER A 21 8.717 13.698 0.054 1.00 0.00 C ATOM 277 C SER A 21 7.577 12.725 0.428 1.00 0.00 C ATOM 278 O SER A 21 7.568 12.116 1.485 1.00 0.00 O ATOM 279 CB SER A 21 8.298 15.136 0.393 1.00 0.00 C ATOM 280 OG SER A 21 6.890 15.301 0.154 1.00 0.00 O ATOM 0 H SER A 21 9.033 14.645 -1.840 1.00 0.00 H new ATOM 0 HA SER A 21 9.604 13.371 0.596 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.528 15.355 1.436 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.865 15.842 -0.214 1.00 0.00 H new ATOM 286 N CYS A 22 6.629 12.569 -0.456 1.00 0.00 N ATOM 287 CA CYS A 22 5.480 11.648 -0.202 1.00 0.00 C ATOM 288 C CYS A 22 5.831 10.258 -0.723 1.00 0.00 C ATOM 289 O CYS A 22 5.413 9.257 -0.185 1.00 0.00 O ATOM 290 CB CYS A 22 4.333 12.282 -0.971 1.00 0.00 C ATOM 291 SG CYS A 22 4.099 13.967 -0.331 1.00 0.00 S ATOM 0 H CYS A 22 6.600 13.047 -1.357 1.00 0.00 H new ATOM 0 HA CYS A 22 5.227 11.521 0.851 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.556 12.306 -2.038 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.422 11.697 -0.849 1.00 0.00 H new ATOM 296 N VAL A 23 6.679 10.194 -1.713 1.00 0.00 N ATOM 297 CA VAL A 23 7.140 8.872 -2.214 1.00 0.00 C ATOM 298 C VAL A 23 8.067 8.322 -1.141 1.00 0.00 C ATOM 299 O VAL A 23 8.040 7.153 -0.818 1.00 0.00 O ATOM 300 CB VAL A 23 7.888 9.143 -3.533 1.00 0.00 C ATOM 301 CG1 VAL A 23 9.247 8.431 -3.538 1.00 0.00 C ATOM 302 CG2 VAL A 23 7.053 8.612 -4.697 1.00 0.00 C ATOM 0 H VAL A 23 7.072 11.002 -2.196 1.00 0.00 H new ATOM 0 HA VAL A 23 6.341 8.156 -2.404 1.00 0.00 H new ATOM 0 HB VAL A 23 8.047 10.217 -3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.761 8.634 -4.478 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.852 8.795 -2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.095 7.357 -3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.575 8.800 -5.635 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.900 7.540 -4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.087 9.117 -4.712 1.00 0.00 H new ATOM 312 N TRP A 24 8.844 9.190 -0.536 1.00 0.00 N ATOM 313 CA TRP A 24 9.727 8.726 0.567 1.00 0.00 C ATOM 314 C TRP A 24 8.854 8.316 1.744 1.00 0.00 C ATOM 315 O TRP A 24 9.185 7.427 2.493 1.00 0.00 O ATOM 316 CB TRP A 24 10.601 9.915 0.959 1.00 0.00 C ATOM 317 CG TRP A 24 11.796 10.000 0.065 1.00 0.00 C ATOM 318 CD1 TRP A 24 12.651 8.992 -0.225 1.00 0.00 C ATOM 319 CD2 TRP A 24 12.280 11.160 -0.648 1.00 0.00 C ATOM 320 NE1 TRP A 24 13.629 9.473 -1.082 1.00 0.00 N ATOM 321 CE2 TRP A 24 13.439 10.809 -1.369 1.00 0.00 C ATOM 322 CE3 TRP A 24 11.814 12.471 -0.731 1.00 0.00 C ATOM 323 CZ2 TRP A 24 14.120 11.743 -2.150 1.00 0.00 C ATOM 324 CZ3 TRP A 24 12.483 13.415 -1.510 1.00 0.00 C ATOM 325 CH2 TRP A 24 13.638 13.054 -2.224 1.00 0.00 C ATOM 0 H TRP A 24 8.901 10.184 -0.758 1.00 0.00 H new ATOM 0 HA TRP A 24 10.342 7.877 0.269 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.023 10.837 0.893 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.921 9.813 1.996 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.583 7.981 0.149 1.00 0.00 H new ATOM 0 HE1 TRP A 24 14.394 8.909 -1.454 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.926 12.759 -0.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 15.010 11.457 -2.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 12.112 14.428 -1.565 1.00 0.00 H new ATOM 0 HH2 TRP A 24 14.152 13.787 -2.828 1.00 0.00 H new ATOM 336 N THR A 25 7.737 8.975 1.900 1.00 0.00 N ATOM 337 CA THR A 25 6.812 8.652 3.042 1.00 0.00 C ATOM 338 C THR A 25 5.908 7.441 2.730 1.00 0.00 C ATOM 339 O THR A 25 5.436 6.771 3.623 1.00 0.00 O ATOM 340 CB THR A 25 5.965 9.921 3.227 1.00 0.00 C ATOM 341 OG1 THR A 25 6.815 11.018 3.543 1.00 0.00 O ATOM 342 CG2 THR A 25 4.967 9.724 4.368 1.00 0.00 C ATOM 0 H THR A 25 7.419 9.726 1.288 1.00 0.00 H new ATOM 0 HA THR A 25 7.369 8.379 3.939 1.00 0.00 H new ATOM 0 HB THR A 25 5.425 10.122 2.302 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.894 11.606 2.763 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.372 10.629 4.491 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.310 8.886 4.136 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.507 9.517 5.292 1.00 0.00 H new ATOM 350 N ILE A 26 5.671 7.152 1.478 1.00 0.00 N ATOM 351 CA ILE A 26 4.790 5.989 1.108 1.00 0.00 C ATOM 352 C ILE A 26 5.645 4.773 0.756 1.00 0.00 C ATOM 353 O ILE A 26 5.212 3.639 0.852 1.00 0.00 O ATOM 354 CB ILE A 26 3.985 6.479 -0.110 1.00 0.00 C ATOM 355 CG1 ILE A 26 2.652 7.060 0.359 1.00 0.00 C ATOM 356 CG2 ILE A 26 3.703 5.318 -1.067 1.00 0.00 C ATOM 357 CD1 ILE A 26 2.901 8.277 1.252 1.00 0.00 C ATOM 0 H ILE A 26 6.049 7.671 0.686 1.00 0.00 H new ATOM 0 HA ILE A 26 4.136 5.679 1.923 1.00 0.00 H new ATOM 0 HB ILE A 26 4.569 7.241 -0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.047 7.347 -0.501 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.089 6.305 0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.133 5.682 -1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.646 4.894 -1.413 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.129 4.550 -0.548 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.947 8.687 1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.488 7.977 2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.446 9.035 0.690 1.00 0.00 H new ATOM 369 N GLU A 27 6.869 5.011 0.390 1.00 0.00 N ATOM 370 CA GLU A 27 7.797 3.906 0.064 1.00 0.00 C ATOM 371 C GLU A 27 8.379 3.398 1.377 1.00 0.00 C ATOM 372 O GLU A 27 8.570 2.212 1.572 1.00 0.00 O ATOM 373 CB GLU A 27 8.870 4.559 -0.818 1.00 0.00 C ATOM 374 CG GLU A 27 9.751 3.493 -1.475 1.00 0.00 C ATOM 375 CD GLU A 27 10.058 3.900 -2.919 1.00 0.00 C ATOM 376 OE1 GLU A 27 10.578 4.988 -3.115 1.00 0.00 O ATOM 377 OE2 GLU A 27 9.764 3.116 -3.807 1.00 0.00 O ATOM 0 H GLU A 27 7.271 5.944 0.302 1.00 0.00 H new ATOM 0 HA GLU A 27 7.339 3.060 -0.448 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.395 5.169 -1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.486 5.227 -0.216 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.678 3.377 -0.914 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.245 2.528 -1.458 1.00 0.00 H new ATOM 384 N GLN A 28 8.617 4.301 2.301 1.00 0.00 N ATOM 385 CA GLN A 28 9.153 3.878 3.629 1.00 0.00 C ATOM 386 C GLN A 28 8.015 3.347 4.502 1.00 0.00 C ATOM 387 O GLN A 28 8.210 2.438 5.286 1.00 0.00 O ATOM 388 CB GLN A 28 9.768 5.132 4.259 1.00 0.00 C ATOM 389 CG GLN A 28 11.295 5.119 4.080 1.00 0.00 C ATOM 390 CD GLN A 28 11.662 4.947 2.601 1.00 0.00 C ATOM 391 OE1 GLN A 28 12.377 4.036 2.247 1.00 0.00 O ATOM 392 NE2 GLN A 28 11.202 5.786 1.720 1.00 0.00 N ATOM 0 H GLN A 28 8.464 5.303 2.191 1.00 0.00 H new ATOM 0 HA GLN A 28 9.892 3.083 3.531 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.347 6.025 3.796 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.519 5.175 5.319 1.00 0.00 H new ATOM 0 HG2 GLN A 28 11.719 6.048 4.460 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.729 4.308 4.665 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.599 6.555 2.014 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.444 5.675 0.735 1.00 0.00 H new ATOM 401 N GLN A 29 6.820 3.892 4.380 1.00 0.00 N ATOM 402 CA GLN A 29 5.707 3.367 5.239 1.00 0.00 C ATOM 403 C GLN A 29 5.177 2.040 4.687 1.00 0.00 C ATOM 404 O GLN A 29 5.252 1.024 5.345 1.00 0.00 O ATOM 405 CB GLN A 29 4.611 4.435 5.247 1.00 0.00 C ATOM 406 CG GLN A 29 4.686 5.232 6.556 1.00 0.00 C ATOM 407 CD GLN A 29 4.641 4.273 7.754 1.00 0.00 C ATOM 408 OE1 GLN A 29 5.643 4.038 8.396 1.00 0.00 O ATOM 409 NE2 GLN A 29 3.521 3.697 8.078 1.00 0.00 N ATOM 0 H GLN A 29 6.575 4.652 3.745 1.00 0.00 H new ATOM 0 HA GLN A 29 6.057 3.169 6.252 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.732 5.103 4.394 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.631 3.967 5.149 1.00 0.00 H new ATOM 0 HG2 GLN A 29 5.604 5.819 6.583 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.856 5.936 6.611 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.675 3.890 7.542 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.489 3.052 8.868 1.00 0.00 H new ATOM 418 N ILE A 30 4.653 2.024 3.487 1.00 0.00 N ATOM 419 CA ILE A 30 4.137 0.732 2.934 1.00 0.00 C ATOM 420 C ILE A 30 5.296 -0.258 2.744 1.00 0.00 C ATOM 421 O ILE A 30 5.149 -1.442 2.985 1.00 0.00 O ATOM 422 CB ILE A 30 3.464 1.083 1.605 1.00 0.00 C ATOM 423 CG1 ILE A 30 2.178 1.871 1.892 1.00 0.00 C ATOM 424 CG2 ILE A 30 3.111 -0.206 0.853 1.00 0.00 C ATOM 425 CD1 ILE A 30 1.446 2.173 0.585 1.00 0.00 C ATOM 0 H ILE A 30 4.560 2.834 2.874 1.00 0.00 H new ATOM 0 HA ILE A 30 3.426 0.249 3.605 1.00 0.00 H new ATOM 0 HB ILE A 30 4.141 1.683 0.996 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.531 1.298 2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.419 2.801 2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.632 0.045 -0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.020 -0.775 0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.430 -0.805 1.457 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.535 2.732 0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.091 2.765 -0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.189 1.238 0.087 1.00 0.00 H new ATOM 437 N GLY A 31 6.455 0.217 2.343 1.00 0.00 N ATOM 438 CA GLY A 31 7.627 -0.701 2.169 1.00 0.00 C ATOM 439 C GLY A 31 7.927 -1.410 3.497 1.00 0.00 C ATOM 440 O GLY A 31 8.117 -2.610 3.540 1.00 0.00 O ATOM 0 H GLY A 31 6.638 1.198 2.130 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.414 -1.436 1.393 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.499 -0.135 1.842 1.00 0.00 H new ATOM 444 N LYS A 32 7.958 -0.673 4.581 1.00 0.00 N ATOM 445 CA LYS A 32 8.234 -1.299 5.910 1.00 0.00 C ATOM 446 C LYS A 32 6.976 -1.270 6.803 1.00 0.00 C ATOM 447 O LYS A 32 7.070 -1.199 8.019 1.00 0.00 O ATOM 448 CB LYS A 32 9.354 -0.442 6.511 1.00 0.00 C ATOM 449 CG LYS A 32 10.070 -1.232 7.613 1.00 0.00 C ATOM 450 CD LYS A 32 10.258 -0.341 8.846 1.00 0.00 C ATOM 451 CE LYS A 32 9.562 -0.976 10.055 1.00 0.00 C ATOM 452 NZ LYS A 32 8.163 -0.452 10.010 1.00 0.00 N ATOM 0 H LYS A 32 7.804 0.335 4.602 1.00 0.00 H new ATOM 0 HA LYS A 32 8.517 -2.348 5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.064 -0.156 5.735 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.941 0.480 6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.489 -2.116 7.876 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.038 -1.581 7.253 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.320 -0.210 9.053 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.846 0.650 8.656 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.579 -2.064 9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.058 -0.701 10.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.616 -0.855 10.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.178 0.585 10.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.720 -0.721 9.108 1.00 0.00 H new ATOM 466 N VAL A 33 5.802 -1.317 6.215 1.00 0.00 N ATOM 467 CA VAL A 33 4.544 -1.284 7.033 1.00 0.00 C ATOM 468 C VAL A 33 4.435 -2.530 7.930 1.00 0.00 C ATOM 469 O VAL A 33 3.991 -2.445 9.060 1.00 0.00 O ATOM 470 CB VAL A 33 3.392 -1.224 6.010 1.00 0.00 C ATOM 471 CG1 VAL A 33 3.282 -2.541 5.236 1.00 0.00 C ATOM 472 CG2 VAL A 33 2.074 -0.961 6.736 1.00 0.00 C ATOM 0 H VAL A 33 5.660 -1.377 5.207 1.00 0.00 H new ATOM 0 HA VAL A 33 4.522 -0.429 7.708 1.00 0.00 H new ATOM 0 HB VAL A 33 3.600 -0.417 5.307 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.463 -2.475 4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.214 -2.729 4.704 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.091 -3.357 5.932 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.261 -0.919 6.011 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.884 -1.764 7.448 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.135 -0.012 7.268 1.00 0.00 H new ATOM 482 N ASN A 34 4.836 -3.679 7.439 1.00 0.00 N ATOM 483 CA ASN A 34 4.752 -4.928 8.262 1.00 0.00 C ATOM 484 C ASN A 34 5.384 -6.106 7.510 1.00 0.00 C ATOM 485 O ASN A 34 6.338 -6.706 7.964 1.00 0.00 O ATOM 486 CB ASN A 34 3.252 -5.167 8.461 1.00 0.00 C ATOM 487 CG ASN A 34 2.928 -5.200 9.950 1.00 0.00 C ATOM 488 OD1 ASN A 34 3.510 -5.959 10.693 1.00 0.00 O ATOM 489 ND2 ASN A 34 2.016 -4.403 10.422 1.00 0.00 N ATOM 0 H ASN A 34 5.219 -3.806 6.502 1.00 0.00 H new ATOM 0 HA ASN A 34 5.284 -4.834 9.209 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.681 -4.378 7.972 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.959 -6.108 7.995 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.791 -4.417 11.417 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.525 -3.763 9.798 1.00 0.00 H new ATOM 496 N GLY A 35 4.854 -6.430 6.358 1.00 0.00 N ATOM 497 CA GLY A 35 5.403 -7.556 5.553 1.00 0.00 C ATOM 498 C GLY A 35 5.194 -7.236 4.077 1.00 0.00 C ATOM 499 O GLY A 35 4.244 -7.673 3.470 1.00 0.00 O ATOM 0 H GLY A 35 4.055 -5.955 5.939 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.463 -7.693 5.765 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.903 -8.489 5.814 1.00 0.00 H new ATOM 503 N VAL A 36 6.080 -6.475 3.502 1.00 0.00 N ATOM 504 CA VAL A 36 5.956 -6.116 2.071 1.00 0.00 C ATOM 505 C VAL A 36 7.232 -6.529 1.354 1.00 0.00 C ATOM 506 O VAL A 36 8.217 -5.818 1.312 1.00 0.00 O ATOM 507 CB VAL A 36 5.743 -4.596 2.036 1.00 0.00 C ATOM 508 CG1 VAL A 36 6.043 -4.056 0.633 1.00 0.00 C ATOM 509 CG2 VAL A 36 4.287 -4.287 2.389 1.00 0.00 C ATOM 0 H VAL A 36 6.895 -6.083 3.973 1.00 0.00 H new ATOM 0 HA VAL A 36 5.128 -6.619 1.572 1.00 0.00 H new ATOM 0 HB VAL A 36 6.413 -4.123 2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.889 -2.977 0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.077 -4.279 0.371 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.376 -4.528 -0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.128 -3.209 2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.628 -4.766 1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.066 -4.665 3.387 1.00 0.00 H new ATOM 519 N HIS A 37 7.202 -7.697 0.808 1.00 0.00 N ATOM 520 CA HIS A 37 8.396 -8.243 0.076 1.00 0.00 C ATOM 521 C HIS A 37 8.768 -7.334 -1.114 1.00 0.00 C ATOM 522 O HIS A 37 9.869 -7.386 -1.627 1.00 0.00 O ATOM 523 CB HIS A 37 7.963 -9.631 -0.419 1.00 0.00 C ATOM 524 CG HIS A 37 7.644 -10.528 0.753 1.00 0.00 C ATOM 525 ND1 HIS A 37 6.534 -10.626 1.559 1.00 0.00 N flip ATOM 526 CD2 HIS A 37 8.528 -11.491 1.213 1.00 0.00 C flip ATOM 527 CE1 HIS A 37 6.724 -11.629 2.502 1.00 0.00 C flip ATOM 528 NE2 HIS A 37 7.940 -12.119 2.250 1.00 0.00 N flip ATOM 0 H HIS A 37 6.394 -8.320 0.829 1.00 0.00 H new ATOM 0 HA HIS A 37 9.277 -8.294 0.716 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.089 -9.539 -1.064 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.757 -10.075 -1.020 1.00 0.00 H new ATOM 0 HD2 HIS A 37 9.509 -11.700 0.813 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.036 -11.944 3.273 1.00 0.00 H new ATOM 0 HE2 HIS A 37 8.372 -12.877 2.779 1.00 0.00 H new ATOM 536 N HIS A 38 7.853 -6.504 -1.542 1.00 0.00 N ATOM 537 CA HIS A 38 8.108 -5.577 -2.683 1.00 0.00 C ATOM 538 C HIS A 38 7.107 -4.419 -2.605 1.00 0.00 C ATOM 539 O HIS A 38 5.913 -4.627 -2.474 1.00 0.00 O ATOM 540 CB HIS A 38 7.905 -6.432 -3.948 1.00 0.00 C ATOM 541 CG HIS A 38 7.562 -5.560 -5.130 1.00 0.00 C ATOM 542 ND1 HIS A 38 6.518 -4.707 -5.355 1.00 0.00 N flip ATOM 543 CD2 HIS A 38 8.339 -5.517 -6.276 1.00 0.00 C flip ATOM 544 CE1 HIS A 38 6.634 -4.137 -6.619 1.00 0.00 C flip ATOM 545 NE2 HIS A 38 7.749 -4.660 -7.134 1.00 0.00 N flip ATOM 0 H HIS A 38 6.919 -6.429 -1.139 1.00 0.00 H new ATOM 0 HA HIS A 38 9.106 -5.138 -2.677 1.00 0.00 H new ATOM 0 HB2 HIS A 38 8.811 -6.999 -4.159 1.00 0.00 H new ATOM 0 HB3 HIS A 38 7.108 -7.156 -3.780 1.00 0.00 H new ATOM 0 HD2 HIS A 38 9.251 -6.069 -6.450 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.967 -3.426 -7.083 1.00 0.00 H new ATOM 0 HE2 HIS A 38 8.110 -4.439 -8.062 1.00 0.00 H new ATOM 553 N ILE A 39 7.585 -3.208 -2.677 1.00 0.00 N ATOM 554 CA ILE A 39 6.668 -2.040 -2.606 1.00 0.00 C ATOM 555 C ILE A 39 6.967 -1.085 -3.772 1.00 0.00 C ATOM 556 O ILE A 39 8.100 -0.706 -3.996 1.00 0.00 O ATOM 557 CB ILE A 39 6.949 -1.375 -1.241 1.00 0.00 C ATOM 558 CG1 ILE A 39 6.401 0.062 -1.246 1.00 0.00 C ATOM 559 CG2 ILE A 39 8.457 -1.351 -0.941 1.00 0.00 C ATOM 560 CD1 ILE A 39 7.448 1.020 -1.822 1.00 0.00 C ATOM 0 H ILE A 39 8.573 -2.978 -2.782 1.00 0.00 H new ATOM 0 HA ILE A 39 5.618 -2.322 -2.688 1.00 0.00 H new ATOM 0 HB ILE A 39 6.453 -1.957 -0.465 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.487 0.110 -1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.139 0.364 -0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.628 -0.878 0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.840 -2.371 -0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.974 -0.787 -1.718 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.051 2.035 -1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.350 0.983 -1.212 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.689 0.725 -2.843 1.00 0.00 H new ATOM 572 N LYS A 40 5.970 -0.696 -4.520 1.00 0.00 N ATOM 573 CA LYS A 40 6.218 0.236 -5.659 1.00 0.00 C ATOM 574 C LYS A 40 5.400 1.513 -5.479 1.00 0.00 C ATOM 575 O LYS A 40 4.185 1.481 -5.411 1.00 0.00 O ATOM 576 CB LYS A 40 5.766 -0.511 -6.916 1.00 0.00 C ATOM 577 CG LYS A 40 6.750 -0.253 -8.069 1.00 0.00 C ATOM 578 CD LYS A 40 6.882 1.255 -8.345 1.00 0.00 C ATOM 579 CE LYS A 40 5.632 1.772 -9.074 1.00 0.00 C ATOM 580 NZ LYS A 40 5.949 3.189 -9.427 1.00 0.00 N ATOM 0 H LYS A 40 4.999 -0.981 -4.393 1.00 0.00 H new ATOM 0 HA LYS A 40 7.267 0.527 -5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.707 -1.580 -6.711 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.766 -0.185 -7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.726 -0.669 -7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.406 -0.764 -8.968 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.014 1.794 -7.407 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.769 1.445 -8.949 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.422 1.181 -9.965 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.750 1.712 -8.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.072 3.689 -9.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.396 3.658 -8.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.600 3.207 -10.237 1.00 0.00 H new ATOM 594 N VAL A 41 6.058 2.637 -5.430 1.00 0.00 N ATOM 595 CA VAL A 41 5.333 3.925 -5.283 1.00 0.00 C ATOM 596 C VAL A 41 5.383 4.656 -6.626 1.00 0.00 C ATOM 597 O VAL A 41 6.282 4.436 -7.421 1.00 0.00 O ATOM 598 CB VAL A 41 6.072 4.698 -4.182 1.00 0.00 C ATOM 599 CG1 VAL A 41 7.474 5.097 -4.656 1.00 0.00 C ATOM 600 CG2 VAL A 41 5.282 5.960 -3.833 1.00 0.00 C ATOM 0 H VAL A 41 7.073 2.717 -5.486 1.00 0.00 H new ATOM 0 HA VAL A 41 4.284 3.805 -5.011 1.00 0.00 H new ATOM 0 HB VAL A 41 6.164 4.058 -3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.984 5.644 -3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.043 4.201 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.393 5.730 -5.540 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.804 6.512 -3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.189 6.588 -4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.289 5.682 -3.479 1.00 0.00 H new ATOM 610 N SER A 42 4.419 5.483 -6.913 1.00 0.00 N ATOM 611 CA SER A 42 4.412 6.169 -8.228 1.00 0.00 C ATOM 612 C SER A 42 4.050 7.649 -8.075 1.00 0.00 C ATOM 613 O SER A 42 2.943 8.064 -8.362 1.00 0.00 O ATOM 614 CB SER A 42 3.362 5.409 -9.039 1.00 0.00 C ATOM 615 OG SER A 42 4.017 4.466 -9.892 1.00 0.00 O ATOM 0 H SER A 42 3.640 5.711 -6.296 1.00 0.00 H new ATOM 0 HA SER A 42 5.388 6.162 -8.713 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.672 4.894 -8.371 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.771 6.105 -9.633 1.00 0.00 H new ATOM 0 HG SER A 42 3.364 3.814 -10.221 1.00 0.00 H new ATOM 621 N LEU A 43 4.995 8.438 -7.617 1.00 0.00 N ATOM 622 CA LEU A 43 4.776 9.909 -7.418 1.00 0.00 C ATOM 623 C LEU A 43 3.934 10.526 -8.549 1.00 0.00 C ATOM 624 O LEU A 43 2.899 11.118 -8.302 1.00 0.00 O ATOM 625 CB LEU A 43 6.195 10.497 -7.420 1.00 0.00 C ATOM 626 CG LEU A 43 6.221 11.833 -6.677 1.00 0.00 C ATOM 627 CD1 LEU A 43 6.006 11.598 -5.182 1.00 0.00 C ATOM 628 CD2 LEU A 43 7.583 12.495 -6.891 1.00 0.00 C ATOM 0 H LEU A 43 5.930 8.116 -7.367 1.00 0.00 H new ATOM 0 HA LEU A 43 4.224 10.117 -6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.886 9.798 -6.948 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.535 10.638 -8.446 1.00 0.00 H new ATOM 0 HG LEU A 43 5.428 12.476 -7.058 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.025 12.553 -4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.041 11.117 -5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.798 10.956 -4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.611 13.449 -6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.368 11.845 -6.505 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.742 12.664 -7.956 1.00 0.00 H new ATOM 640 N GLU A 44 4.361 10.405 -9.783 1.00 0.00 N ATOM 641 CA GLU A 44 3.557 11.003 -10.896 1.00 0.00 C ATOM 642 C GLU A 44 2.614 9.977 -11.515 1.00 0.00 C ATOM 643 O GLU A 44 1.512 10.307 -11.917 1.00 0.00 O ATOM 644 CB GLU A 44 4.561 11.537 -11.918 1.00 0.00 C ATOM 645 CG GLU A 44 4.455 13.067 -11.963 1.00 0.00 C ATOM 646 CD GLU A 44 3.156 13.477 -12.668 1.00 0.00 C ATOM 647 OE1 GLU A 44 2.142 13.588 -11.991 1.00 0.00 O ATOM 648 OE2 GLU A 44 3.196 13.672 -13.870 1.00 0.00 O ATOM 0 H GLU A 44 5.217 9.927 -10.065 1.00 0.00 H new ATOM 0 HA GLU A 44 2.918 11.806 -10.528 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.573 11.237 -11.645 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.358 11.116 -12.902 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.474 13.472 -10.951 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.313 13.485 -12.490 1.00 0.00 H new ATOM 655 N GLU A 45 2.996 8.738 -11.552 1.00 0.00 N ATOM 656 CA GLU A 45 2.072 7.700 -12.109 1.00 0.00 C ATOM 657 C GLU A 45 0.836 7.547 -11.191 1.00 0.00 C ATOM 658 O GLU A 45 -0.115 6.870 -11.533 1.00 0.00 O ATOM 659 CB GLU A 45 2.894 6.410 -12.167 1.00 0.00 C ATOM 660 CG GLU A 45 2.261 5.437 -13.171 1.00 0.00 C ATOM 661 CD GLU A 45 2.735 4.010 -12.883 1.00 0.00 C ATOM 662 OE1 GLU A 45 2.597 3.576 -11.745 1.00 0.00 O ATOM 663 OE2 GLU A 45 3.230 3.378 -13.798 1.00 0.00 O ATOM 0 H GLU A 45 3.899 8.392 -11.226 1.00 0.00 H new ATOM 0 HA GLU A 45 1.694 7.964 -13.096 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.920 6.634 -12.460 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.938 5.951 -11.179 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.174 5.489 -13.105 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.533 5.722 -14.187 1.00 0.00 H new ATOM 670 N LYS A 46 0.844 8.196 -10.033 1.00 0.00 N ATOM 671 CA LYS A 46 -0.318 8.128 -9.084 1.00 0.00 C ATOM 672 C LYS A 46 -0.652 6.675 -8.720 1.00 0.00 C ATOM 673 O LYS A 46 -1.685 6.147 -9.101 1.00 0.00 O ATOM 674 CB LYS A 46 -1.478 8.799 -9.837 1.00 0.00 C ATOM 675 CG LYS A 46 -2.005 9.989 -9.030 1.00 0.00 C ATOM 676 CD LYS A 46 -0.926 11.074 -8.923 1.00 0.00 C ATOM 677 CE LYS A 46 -0.960 11.977 -10.163 1.00 0.00 C ATOM 678 NZ LYS A 46 0.457 12.037 -10.628 1.00 0.00 N ATOM 0 H LYS A 46 1.619 8.774 -9.709 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.106 8.625 -8.138 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.141 9.134 -10.818 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.279 8.079 -10.005 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.895 10.397 -9.509 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.301 9.660 -8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.087 11.670 -8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.057 10.612 -8.827 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.612 11.567 -10.934 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.339 12.970 -9.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.632 12.951 -11.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.095 11.935 -9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.634 11.266 -11.304 1.00 0.00 H new ATOM 692 N ASN A 47 0.204 6.014 -7.971 1.00 0.00 N ATOM 693 CA ASN A 47 -0.104 4.596 -7.599 1.00 0.00 C ATOM 694 C ASN A 47 0.852 4.032 -6.541 1.00 0.00 C ATOM 695 O ASN A 47 1.943 4.530 -6.317 1.00 0.00 O ATOM 696 CB ASN A 47 0.037 3.808 -8.908 1.00 0.00 C ATOM 697 CG ASN A 47 -1.123 2.827 -9.030 1.00 0.00 C ATOM 698 OD1 ASN A 47 -0.984 1.662 -8.727 1.00 0.00 O ATOM 699 ND2 ASN A 47 -2.275 3.254 -9.452 1.00 0.00 N ATOM 0 H ASN A 47 1.082 6.386 -7.609 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.097 4.526 -7.155 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.043 4.490 -9.758 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.986 3.272 -8.923 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -3.061 2.609 -9.528 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.393 4.234 -9.707 1.00 0.00 H new ATOM 706 N ALA A 48 0.425 2.974 -5.903 1.00 0.00 N ATOM 707 CA ALA A 48 1.250 2.305 -4.859 1.00 0.00 C ATOM 708 C ALA A 48 0.949 0.796 -4.874 1.00 0.00 C ATOM 709 O ALA A 48 -0.024 0.340 -4.297 1.00 0.00 O ATOM 710 CB ALA A 48 0.808 2.942 -3.539 1.00 0.00 C ATOM 0 H ALA A 48 -0.482 2.537 -6.067 1.00 0.00 H new ATOM 0 HA ALA A 48 2.322 2.424 -5.015 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.371 2.502 -2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.994 4.015 -3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.256 2.763 -3.387 1.00 0.00 H new ATOM 716 N THR A 49 1.762 0.014 -5.536 1.00 0.00 N ATOM 717 CA THR A 49 1.502 -1.456 -5.582 1.00 0.00 C ATOM 718 C THR A 49 2.552 -2.206 -4.758 1.00 0.00 C ATOM 719 O THR A 49 3.733 -1.935 -4.846 1.00 0.00 O ATOM 720 CB THR A 49 1.536 -1.844 -7.074 1.00 0.00 C ATOM 721 OG1 THR A 49 0.686 -2.969 -7.290 1.00 0.00 O ATOM 722 CG2 THR A 49 2.961 -2.192 -7.514 1.00 0.00 C ATOM 0 H THR A 49 2.590 0.327 -6.044 1.00 0.00 H new ATOM 0 HA THR A 49 0.539 -1.721 -5.147 1.00 0.00 H new ATOM 0 HB THR A 49 1.189 -0.994 -7.662 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.085 -2.785 -8.042 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.960 -2.462 -8.570 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.610 -1.330 -7.361 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.329 -3.032 -6.925 1.00 0.00 H new ATOM 730 N ILE A 50 2.122 -3.134 -3.941 1.00 0.00 N ATOM 731 CA ILE A 50 3.087 -3.895 -3.080 1.00 0.00 C ATOM 732 C ILE A 50 2.618 -5.343 -2.868 1.00 0.00 C ATOM 733 O ILE A 50 1.549 -5.741 -3.307 1.00 0.00 O ATOM 734 CB ILE A 50 3.103 -3.151 -1.728 1.00 0.00 C ATOM 735 CG1 ILE A 50 1.697 -3.156 -1.112 1.00 0.00 C ATOM 736 CG2 ILE A 50 3.545 -1.700 -1.922 1.00 0.00 C ATOM 737 CD1 ILE A 50 1.571 -4.314 -0.120 1.00 0.00 C ATOM 0 H ILE A 50 1.144 -3.400 -3.831 1.00 0.00 H new ATOM 0 HA ILE A 50 4.073 -3.944 -3.543 1.00 0.00 H new ATOM 0 HB ILE A 50 3.804 -3.661 -1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.508 -2.209 -0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.946 -3.253 -1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.551 -1.190 -0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.547 -1.679 -2.350 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.852 -1.196 -2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.571 -4.314 0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.741 -5.258 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.311 -4.197 0.672 1.00 0.00 H new ATOM 749 N ILE A 51 3.404 -6.121 -2.171 1.00 0.00 N ATOM 750 CA ILE A 51 3.027 -7.534 -1.880 1.00 0.00 C ATOM 751 C ILE A 51 3.048 -7.734 -0.365 1.00 0.00 C ATOM 752 O ILE A 51 3.651 -6.966 0.354 1.00 0.00 O ATOM 753 CB ILE A 51 4.089 -8.392 -2.598 1.00 0.00 C ATOM 754 CG1 ILE A 51 4.019 -9.846 -2.109 1.00 0.00 C ATOM 755 CG2 ILE A 51 5.486 -7.838 -2.328 1.00 0.00 C ATOM 756 CD1 ILE A 51 4.754 -9.971 -0.775 1.00 0.00 C ATOM 0 H ILE A 51 4.303 -5.832 -1.786 1.00 0.00 H new ATOM 0 HA ILE A 51 2.030 -7.806 -2.225 1.00 0.00 H new ATOM 0 HB ILE A 51 3.887 -8.361 -3.669 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.979 -10.152 -1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.467 -10.511 -2.847 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.226 -8.452 -2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.548 -6.813 -2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.682 -7.852 -1.256 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.704 -11.003 -0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.797 -9.682 -0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.286 -9.318 -0.039 1.00 0.00 H new ATOM 768 N TYR A 52 2.367 -8.728 0.129 1.00 0.00 N ATOM 769 CA TYR A 52 2.324 -8.930 1.606 1.00 0.00 C ATOM 770 C TYR A 52 1.823 -10.340 1.957 1.00 0.00 C ATOM 771 O TYR A 52 1.077 -10.954 1.211 1.00 0.00 O ATOM 772 CB TYR A 52 1.323 -7.870 2.093 1.00 0.00 C ATOM 773 CG TYR A 52 -0.002 -8.078 1.385 1.00 0.00 C ATOM 774 CD1 TYR A 52 -0.149 -7.725 0.032 1.00 0.00 C ATOM 775 CD2 TYR A 52 -1.074 -8.657 2.071 1.00 0.00 C ATOM 776 CE1 TYR A 52 -1.351 -7.954 -0.621 1.00 0.00 C ATOM 777 CE2 TYR A 52 -2.289 -8.878 1.412 1.00 0.00 C ATOM 778 CZ TYR A 52 -2.426 -8.528 0.065 1.00 0.00 C ATOM 779 OH TYR A 52 -3.613 -8.769 -0.592 1.00 0.00 O ATOM 0 H TYR A 52 1.840 -9.407 -0.421 1.00 0.00 H new ATOM 0 HA TYR A 52 3.307 -8.834 2.067 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.189 -7.947 3.172 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.705 -6.870 1.889 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.676 -7.275 -0.500 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.965 -8.934 3.109 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.457 -7.688 -1.662 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.120 -9.318 1.943 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.305 -8.165 -0.250 1.00 0.00 H new ATOM 789 N ASP A 53 2.210 -10.847 3.097 1.00 0.00 N ATOM 790 CA ASP A 53 1.742 -12.202 3.514 1.00 0.00 C ATOM 791 C ASP A 53 0.314 -12.100 4.083 1.00 0.00 C ATOM 792 O ASP A 53 0.087 -11.420 5.073 1.00 0.00 O ATOM 793 CB ASP A 53 2.753 -12.650 4.583 1.00 0.00 C ATOM 794 CG ASP A 53 3.294 -14.050 4.263 1.00 0.00 C ATOM 795 OD1 ASP A 53 3.231 -14.459 3.110 1.00 0.00 O ATOM 796 OD2 ASP A 53 3.768 -14.696 5.178 1.00 0.00 O ATOM 0 H ASP A 53 2.831 -10.381 3.759 1.00 0.00 H new ATOM 0 HA ASP A 53 1.696 -12.917 2.692 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.577 -11.938 4.632 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.276 -12.654 5.563 1.00 0.00 H new ATOM 801 N PRO A 54 -0.611 -12.769 3.421 1.00 0.00 N ATOM 802 CA PRO A 54 -2.043 -12.741 3.846 1.00 0.00 C ATOM 803 C PRO A 54 -2.243 -13.456 5.195 1.00 0.00 C ATOM 804 O PRO A 54 -3.023 -14.383 5.319 1.00 0.00 O ATOM 805 CB PRO A 54 -2.765 -13.463 2.705 1.00 0.00 C ATOM 806 CG PRO A 54 -1.722 -14.335 2.083 1.00 0.00 C ATOM 807 CD PRO A 54 -0.411 -13.610 2.231 1.00 0.00 C ATOM 0 HA PRO A 54 -2.421 -11.731 4.008 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.603 -14.053 3.078 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.170 -12.755 1.983 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.685 -15.307 2.576 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.947 -14.519 1.032 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.418 -14.305 2.366 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.183 -13.010 1.350 1.00 0.00 H new ATOM 815 N LYS A 55 -1.550 -13.005 6.207 1.00 0.00 N ATOM 816 CA LYS A 55 -1.678 -13.609 7.573 1.00 0.00 C ATOM 817 C LYS A 55 -1.769 -12.465 8.589 1.00 0.00 C ATOM 818 O LYS A 55 -2.798 -12.238 9.196 1.00 0.00 O ATOM 819 CB LYS A 55 -0.407 -14.461 7.801 1.00 0.00 C ATOM 820 CG LYS A 55 0.377 -14.644 6.490 1.00 0.00 C ATOM 821 CD LYS A 55 1.320 -15.841 6.615 1.00 0.00 C ATOM 822 CE LYS A 55 1.387 -16.573 5.271 1.00 0.00 C ATOM 823 NZ LYS A 55 2.652 -17.367 5.309 1.00 0.00 N ATOM 0 H LYS A 55 -0.889 -12.231 6.147 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.564 -14.235 7.679 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.229 -13.980 8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.685 -15.436 8.201 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.313 -14.798 5.661 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.947 -13.742 6.267 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.314 -15.506 6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.967 -16.517 7.394 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.521 -17.221 5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.392 -15.868 4.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.207 -17.178 4.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.207 -17.096 6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.424 -18.381 5.358 1.00 0.00 H new ATOM 837 N LEU A 56 -0.709 -11.710 8.734 1.00 0.00 N ATOM 838 CA LEU A 56 -0.733 -10.534 9.661 1.00 0.00 C ATOM 839 C LEU A 56 -1.030 -9.253 8.852 1.00 0.00 C ATOM 840 O LEU A 56 -1.257 -8.193 9.404 1.00 0.00 O ATOM 841 CB LEU A 56 0.666 -10.472 10.292 1.00 0.00 C ATOM 842 CG LEU A 56 1.730 -10.250 9.209 1.00 0.00 C ATOM 843 CD1 LEU A 56 2.519 -8.978 9.519 1.00 0.00 C ATOM 844 CD2 LEU A 56 2.686 -11.443 9.188 1.00 0.00 C ATOM 0 H LEU A 56 0.176 -11.857 8.249 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.502 -10.623 10.428 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.707 -9.664 11.023 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.872 -11.398 10.829 1.00 0.00 H new ATOM 0 HG LEU A 56 1.244 -10.149 8.238 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.274 -8.822 8.749 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.841 -8.125 9.540 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.005 -9.079 10.489 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.443 -11.289 8.420 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.170 -11.539 10.160 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.127 -12.353 8.969 1.00 0.00 H new ATOM 856 N GLN A 57 -1.024 -9.358 7.540 1.00 0.00 N ATOM 857 CA GLN A 57 -1.298 -8.178 6.670 1.00 0.00 C ATOM 858 C GLN A 57 -2.387 -8.523 5.649 1.00 0.00 C ATOM 859 O GLN A 57 -2.493 -9.649 5.193 1.00 0.00 O ATOM 860 CB GLN A 57 0.033 -7.899 5.976 1.00 0.00 C ATOM 861 CG GLN A 57 0.821 -6.876 6.797 1.00 0.00 C ATOM 862 CD GLN A 57 1.315 -5.747 5.896 1.00 0.00 C ATOM 863 OE1 GLN A 57 2.502 -5.589 5.697 1.00 0.00 O ATOM 864 NE2 GLN A 57 0.451 -4.948 5.344 1.00 0.00 N ATOM 0 H GLN A 57 -0.838 -10.225 7.035 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.656 -7.313 7.228 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.605 -8.821 5.875 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.140 -7.520 4.969 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.191 -6.470 7.588 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.668 -7.362 7.281 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.546 -5.081 5.511 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.770 -4.188 4.743 1.00 0.00 H new ATOM 873 N THR A 58 -3.199 -7.566 5.296 1.00 0.00 N ATOM 874 CA THR A 58 -4.299 -7.823 4.313 1.00 0.00 C ATOM 875 C THR A 58 -4.482 -6.605 3.393 1.00 0.00 C ATOM 876 O THR A 58 -3.933 -5.550 3.650 1.00 0.00 O ATOM 877 CB THR A 58 -5.559 -8.047 5.170 1.00 0.00 C ATOM 878 OG1 THR A 58 -5.822 -6.881 5.951 1.00 0.00 O ATOM 879 CG2 THR A 58 -5.352 -9.245 6.102 1.00 0.00 C ATOM 0 H THR A 58 -3.151 -6.609 5.646 1.00 0.00 H new ATOM 0 HA THR A 58 -4.087 -8.678 3.671 1.00 0.00 H new ATOM 0 HB THR A 58 -6.405 -8.245 4.511 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.625 -7.025 6.495 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.248 -9.396 6.704 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.159 -10.139 5.508 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.502 -9.054 6.757 1.00 0.00 H new ATOM 887 N PRO A 59 -5.258 -6.779 2.347 1.00 0.00 N ATOM 888 CA PRO A 59 -5.507 -5.659 1.387 1.00 0.00 C ATOM 889 C PRO A 59 -6.283 -4.509 2.060 1.00 0.00 C ATOM 890 O PRO A 59 -6.265 -3.385 1.593 1.00 0.00 O ATOM 891 CB PRO A 59 -6.331 -6.323 0.280 1.00 0.00 C ATOM 892 CG PRO A 59 -6.964 -7.506 0.936 1.00 0.00 C ATOM 893 CD PRO A 59 -5.976 -8.002 1.955 1.00 0.00 C ATOM 0 HA PRO A 59 -4.590 -5.202 1.015 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.083 -5.641 -0.117 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.700 -6.624 -0.556 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -7.906 -7.230 1.410 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.190 -8.282 0.204 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.474 -8.467 2.806 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.302 -8.747 1.533 1.00 0.00 H new ATOM 901 N LYS A 60 -6.937 -4.777 3.161 1.00 0.00 N ATOM 902 CA LYS A 60 -7.694 -3.707 3.881 1.00 0.00 C ATOM 903 C LYS A 60 -6.795 -3.058 4.940 1.00 0.00 C ATOM 904 O LYS A 60 -6.898 -1.881 5.215 1.00 0.00 O ATOM 905 CB LYS A 60 -8.894 -4.419 4.521 1.00 0.00 C ATOM 906 CG LYS A 60 -10.177 -3.637 4.217 1.00 0.00 C ATOM 907 CD LYS A 60 -10.329 -3.455 2.700 1.00 0.00 C ATOM 908 CE LYS A 60 -11.717 -3.928 2.254 1.00 0.00 C ATOM 909 NZ LYS A 60 -12.031 -3.124 1.034 1.00 0.00 N ATOM 0 H LYS A 60 -6.980 -5.699 3.596 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.023 -2.907 3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.975 -5.435 4.135 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.751 -4.498 5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.041 -4.168 4.617 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.146 -2.664 4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.190 -2.407 2.435 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.557 -4.021 2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.717 -4.995 2.033 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.459 -3.764 3.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.046 -3.200 0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.786 -2.127 1.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.480 -3.485 0.229 1.00 0.00 H new ATOM 923 N THR A 61 -5.872 -3.808 5.492 1.00 0.00 N ATOM 924 CA THR A 61 -4.929 -3.222 6.493 1.00 0.00 C ATOM 925 C THR A 61 -3.853 -2.458 5.727 1.00 0.00 C ATOM 926 O THR A 61 -3.285 -1.503 6.217 1.00 0.00 O ATOM 927 CB THR A 61 -4.328 -4.390 7.293 1.00 0.00 C ATOM 928 OG1 THR A 61 -4.000 -5.466 6.425 1.00 0.00 O ATOM 929 CG2 THR A 61 -5.334 -4.864 8.347 1.00 0.00 C ATOM 0 H THR A 61 -5.732 -4.798 5.293 1.00 0.00 H new ATOM 0 HA THR A 61 -5.420 -2.534 7.181 1.00 0.00 H new ATOM 0 HB THR A 61 -3.418 -4.048 7.787 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.726 -6.125 6.432 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.906 -5.692 8.912 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.565 -4.042 9.025 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.248 -5.196 7.854 1.00 0.00 H new ATOM 937 N LEU A 62 -3.632 -2.825 4.487 1.00 0.00 N ATOM 938 CA LEU A 62 -2.660 -2.064 3.645 1.00 0.00 C ATOM 939 C LEU A 62 -3.339 -0.736 3.298 1.00 0.00 C ATOM 940 O LEU A 62 -2.716 0.304 3.172 1.00 0.00 O ATOM 941 CB LEU A 62 -2.448 -2.901 2.371 1.00 0.00 C ATOM 942 CG LEU A 62 -1.426 -4.016 2.613 1.00 0.00 C ATOM 943 CD1 LEU A 62 -1.635 -5.127 1.578 1.00 0.00 C ATOM 944 CD2 LEU A 62 -0.009 -3.457 2.463 1.00 0.00 C ATOM 0 H LEU A 62 -4.081 -3.615 4.025 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.705 -1.878 4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.397 -3.334 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.105 -2.257 1.561 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.558 -4.414 3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.909 -5.923 1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.644 -5.529 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.501 -4.720 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.716 -4.252 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.121 -3.060 1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.147 -2.660 3.190 1.00 0.00 H new ATOM 956 N GLN A 63 -4.646 -0.782 3.204 1.00 0.00 N ATOM 957 CA GLN A 63 -5.447 0.438 2.923 1.00 0.00 C ATOM 958 C GLN A 63 -5.653 1.188 4.239 1.00 0.00 C ATOM 959 O GLN A 63 -5.757 2.393 4.271 1.00 0.00 O ATOM 960 CB GLN A 63 -6.779 -0.090 2.379 1.00 0.00 C ATOM 961 CG GLN A 63 -7.686 1.081 1.998 1.00 0.00 C ATOM 962 CD GLN A 63 -9.009 0.977 2.761 1.00 0.00 C ATOM 963 OE1 GLN A 63 -9.732 0.006 2.625 1.00 0.00 O ATOM 964 NE2 GLN A 63 -9.363 1.939 3.559 1.00 0.00 N ATOM 0 H GLN A 63 -5.197 -1.634 3.313 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.975 1.122 2.218 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.602 -0.722 1.509 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.268 -0.711 3.130 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.194 2.025 2.231 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.873 1.075 0.924 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.760 2.753 3.675 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -10.244 1.880 4.070 1.00 0.00 H new ATOM 973 N GLU A 64 -5.647 0.463 5.326 1.00 0.00 N ATOM 974 CA GLU A 64 -5.785 1.095 6.672 1.00 0.00 C ATOM 975 C GLU A 64 -4.414 1.613 7.100 1.00 0.00 C ATOM 976 O GLU A 64 -4.297 2.452 7.960 1.00 0.00 O ATOM 977 CB GLU A 64 -6.272 -0.013 7.610 1.00 0.00 C ATOM 978 CG GLU A 64 -7.806 -0.105 7.556 1.00 0.00 C ATOM 979 CD GLU A 64 -8.264 -1.549 7.789 1.00 0.00 C ATOM 980 OE1 GLU A 64 -7.668 -2.223 8.616 1.00 0.00 O ATOM 981 OE2 GLU A 64 -9.214 -1.954 7.142 1.00 0.00 O ATOM 0 H GLU A 64 -5.551 -0.552 5.339 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.482 1.933 6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.831 -0.967 7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.947 0.192 8.630 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.242 0.548 8.312 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.164 0.245 6.588 1.00 0.00 H new ATOM 988 N ALA A 65 -3.382 1.148 6.447 1.00 0.00 N ATOM 989 CA ALA A 65 -2.007 1.643 6.748 1.00 0.00 C ATOM 990 C ALA A 65 -1.781 2.892 5.895 1.00 0.00 C ATOM 991 O ALA A 65 -1.050 3.798 6.257 1.00 0.00 O ATOM 992 CB ALA A 65 -1.061 0.510 6.339 1.00 0.00 C ATOM 0 H ALA A 65 -3.433 0.442 5.713 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.848 1.903 7.795 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.031 0.808 6.534 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.295 -0.385 6.915 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.183 0.300 5.276 1.00 0.00 H new ATOM 998 N ILE A 66 -2.464 2.950 4.777 1.00 0.00 N ATOM 999 CA ILE A 66 -2.367 4.145 3.891 1.00 0.00 C ATOM 1000 C ILE A 66 -3.386 5.172 4.385 1.00 0.00 C ATOM 1001 O ILE A 66 -3.112 6.360 4.442 1.00 0.00 O ATOM 1002 CB ILE A 66 -2.701 3.635 2.482 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -1.478 2.907 1.918 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -3.055 4.808 1.560 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -1.913 1.976 0.789 1.00 0.00 C ATOM 0 H ILE A 66 -3.087 2.215 4.441 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.387 4.622 3.891 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.555 2.960 2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.751 3.629 1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.987 2.336 2.706 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.289 4.431 0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.920 5.337 1.960 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.208 5.491 1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.042 1.458 0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.624 1.245 1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.384 2.559 -0.002 1.00 0.00 H new ATOM 1017 N ASP A 67 -4.543 4.706 4.800 1.00 0.00 N ATOM 1018 CA ASP A 67 -5.567 5.644 5.350 1.00 0.00 C ATOM 1019 C ASP A 67 -5.028 6.230 6.658 1.00 0.00 C ATOM 1020 O ASP A 67 -5.275 7.376 6.988 1.00 0.00 O ATOM 1021 CB ASP A 67 -6.817 4.793 5.611 1.00 0.00 C ATOM 1022 CG ASP A 67 -7.835 5.023 4.497 1.00 0.00 C ATOM 1023 OD1 ASP A 67 -8.507 6.039 4.539 1.00 0.00 O ATOM 1024 OD2 ASP A 67 -7.928 4.174 3.621 1.00 0.00 O ATOM 0 H ASP A 67 -4.818 3.724 4.781 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.797 6.468 4.674 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.547 3.738 5.659 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.253 5.055 6.575 1.00 0.00 H new ATOM 1029 N ASP A 68 -4.263 5.451 7.392 1.00 0.00 N ATOM 1030 CA ASP A 68 -3.676 5.973 8.667 1.00 0.00 C ATOM 1031 C ASP A 68 -2.450 6.839 8.344 1.00 0.00 C ATOM 1032 O ASP A 68 -2.222 7.861 8.961 1.00 0.00 O ATOM 1033 CB ASP A 68 -3.279 4.734 9.477 1.00 0.00 C ATOM 1034 CG ASP A 68 -3.410 5.026 10.972 1.00 0.00 C ATOM 1035 OD1 ASP A 68 -2.653 5.845 11.467 1.00 0.00 O ATOM 1036 OD2 ASP A 68 -4.262 4.421 11.601 1.00 0.00 O ATOM 0 H ASP A 68 -4.023 4.486 7.164 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.374 6.595 9.227 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.915 3.892 9.205 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.254 4.448 9.242 1.00 0.00 H new ATOM 1041 N MET A 69 -1.669 6.438 7.361 1.00 0.00 N ATOM 1042 CA MET A 69 -0.459 7.234 6.965 1.00 0.00 C ATOM 1043 C MET A 69 -0.829 8.717 6.823 1.00 0.00 C ATOM 1044 O MET A 69 -0.296 9.568 7.510 1.00 0.00 O ATOM 1045 CB MET A 69 -0.038 6.658 5.607 1.00 0.00 C ATOM 1046 CG MET A 69 1.302 5.928 5.734 1.00 0.00 C ATOM 1047 SD MET A 69 2.309 6.256 4.268 1.00 0.00 S ATOM 1048 CE MET A 69 1.090 5.745 3.032 1.00 0.00 C ATOM 0 H MET A 69 -1.820 5.590 6.815 1.00 0.00 H new ATOM 0 HA MET A 69 0.340 7.171 7.704 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.802 5.971 5.243 1.00 0.00 H new ATOM 0 HB3 MET A 69 0.045 7.460 4.874 1.00 0.00 H new ATOM 0 HG2 MET A 69 1.826 6.261 6.630 1.00 0.00 H new ATOM 0 HG3 MET A 69 1.136 4.856 5.842 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.594 5.229 2.215 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.364 5.074 3.492 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.576 6.624 2.643 1.00 0.00 H new ATOM 1058 N GLY A 70 -1.750 9.024 5.940 1.00 0.00 N ATOM 1059 CA GLY A 70 -2.179 10.446 5.753 1.00 0.00 C ATOM 1060 C GLY A 70 -1.988 10.860 4.296 1.00 0.00 C ATOM 1061 O GLY A 70 -1.384 11.875 4.010 1.00 0.00 O ATOM 0 H GLY A 70 -2.224 8.349 5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.225 10.560 6.038 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.598 11.099 6.405 1.00 0.00 H new ATOM 1065 N PHE A 71 -2.496 10.087 3.374 1.00 0.00 N ATOM 1066 CA PHE A 71 -2.337 10.439 1.932 1.00 0.00 C ATOM 1067 C PHE A 71 -3.616 10.132 1.147 1.00 0.00 C ATOM 1068 O PHE A 71 -4.332 9.190 1.440 1.00 0.00 O ATOM 1069 CB PHE A 71 -1.189 9.557 1.437 1.00 0.00 C ATOM 1070 CG PHE A 71 0.124 10.289 1.610 1.00 0.00 C ATOM 1071 CD1 PHE A 71 0.597 11.134 0.594 1.00 0.00 C ATOM 1072 CD2 PHE A 71 0.867 10.126 2.789 1.00 0.00 C ATOM 1073 CE1 PHE A 71 1.807 11.812 0.757 1.00 0.00 C ATOM 1074 CE2 PHE A 71 2.083 10.807 2.947 1.00 0.00 C ATOM 1075 CZ PHE A 71 2.550 11.648 1.931 1.00 0.00 C ATOM 0 H PHE A 71 -3.014 9.227 3.556 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.136 11.502 1.796 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.171 8.620 1.994 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.339 9.302 0.388 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.025 11.260 -0.314 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.504 9.478 3.573 1.00 0.00 H new ATOM 0 HE1 PHE A 71 2.170 12.464 -0.024 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.658 10.682 3.852 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.486 12.172 2.053 1.00 0.00 H new ATOM 1085 N ASP A 72 -3.889 10.916 0.137 1.00 0.00 N ATOM 1086 CA ASP A 72 -5.105 10.681 -0.697 1.00 0.00 C ATOM 1087 C ASP A 72 -4.889 9.433 -1.567 1.00 0.00 C ATOM 1088 O ASP A 72 -4.527 9.519 -2.728 1.00 0.00 O ATOM 1089 CB ASP A 72 -5.252 11.941 -1.566 1.00 0.00 C ATOM 1090 CG ASP A 72 -5.088 13.199 -0.709 1.00 0.00 C ATOM 1091 OD1 ASP A 72 -6.043 13.576 -0.051 1.00 0.00 O ATOM 1092 OD2 ASP A 72 -4.002 13.757 -0.723 1.00 0.00 O ATOM 0 H ASP A 72 -3.319 11.713 -0.147 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.001 10.509 -0.100 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.505 11.933 -2.359 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.229 11.946 -2.049 1.00 0.00 H new ATOM 1097 N ALA A 73 -5.090 8.270 -1.010 1.00 0.00 N ATOM 1098 CA ALA A 73 -4.877 7.022 -1.799 1.00 0.00 C ATOM 1099 C ALA A 73 -6.036 6.035 -1.590 1.00 0.00 C ATOM 1100 O ALA A 73 -6.545 5.896 -0.496 1.00 0.00 O ATOM 1101 CB ALA A 73 -3.569 6.448 -1.246 1.00 0.00 C ATOM 0 H ALA A 73 -5.392 8.129 -0.046 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.832 7.211 -2.872 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.328 5.522 -1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.764 7.168 -1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.682 6.245 -0.181 1.00 0.00 H new ATOM 1107 N VAL A 74 -6.443 5.331 -2.625 1.00 0.00 N ATOM 1108 CA VAL A 74 -7.535 4.347 -2.485 1.00 0.00 C ATOM 1109 C VAL A 74 -6.953 2.972 -2.811 1.00 0.00 C ATOM 1110 O VAL A 74 -5.883 2.625 -2.362 1.00 0.00 O ATOM 1111 CB VAL A 74 -8.625 4.782 -3.489 1.00 0.00 C ATOM 1112 CG1 VAL A 74 -9.967 4.168 -3.082 1.00 0.00 C ATOM 1113 CG2 VAL A 74 -8.776 6.309 -3.483 1.00 0.00 C ATOM 0 H VAL A 74 -6.052 5.407 -3.564 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.967 4.297 -1.486 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.334 4.444 -4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.737 4.474 -3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.885 3.081 -3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.236 4.511 -2.083 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.548 6.601 -4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.059 6.643 -2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.829 6.769 -3.765 1.00 0.00 H new ATOM 1123 N ILE A 75 -7.628 2.202 -3.582 1.00 0.00 N ATOM 1124 CA ILE A 75 -7.106 0.843 -3.933 1.00 0.00 C ATOM 1125 C ILE A 75 -7.614 0.383 -5.300 1.00 0.00 C ATOM 1126 O ILE A 75 -8.732 0.657 -5.691 1.00 0.00 O ATOM 1127 CB ILE A 75 -7.629 -0.133 -2.861 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -7.975 0.584 -1.548 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -6.558 -1.188 -2.575 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -9.103 -0.171 -0.854 1.00 0.00 C ATOM 0 H ILE A 75 -8.529 2.440 -3.997 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.017 0.871 -3.971 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.539 -0.592 -3.248 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.099 0.630 -0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.277 1.612 -1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.923 -1.881 -1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.334 -1.736 -3.490 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.653 -0.699 -2.214 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.356 0.331 0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.979 -0.193 -1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.782 -1.191 -0.642 1.00 0.00 H new ATOM 1142 N HIS A 76 -6.803 -0.359 -6.004 1.00 0.00 N ATOM 1143 CA HIS A 76 -7.220 -0.908 -7.331 1.00 0.00 C ATOM 1144 C HIS A 76 -7.340 -2.441 -7.220 1.00 0.00 C ATOM 1145 O HIS A 76 -7.288 -3.157 -8.204 1.00 0.00 O ATOM 1146 CB HIS A 76 -6.102 -0.506 -8.299 1.00 0.00 C ATOM 1147 CG HIS A 76 -6.625 -0.510 -9.710 1.00 0.00 C ATOM 1148 ND1 HIS A 76 -7.251 -1.615 -10.262 1.00 0.00 N ATOM 1149 CD2 HIS A 76 -6.623 0.448 -10.692 1.00 0.00 C ATOM 1150 CE1 HIS A 76 -7.598 -1.298 -11.524 1.00 0.00 C ATOM 1151 NE2 HIS A 76 -7.237 -0.051 -11.837 1.00 0.00 N ATOM 0 H HIS A 76 -5.858 -0.612 -5.715 1.00 0.00 H new ATOM 0 HA HIS A 76 -8.184 -0.530 -7.671 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.726 0.485 -8.044 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -5.265 -1.198 -8.210 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -7.419 -2.507 -9.797 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -6.208 1.440 -10.592 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -8.106 -1.970 -12.200 1.00 0.00 H new ATOM 1159 N ASN A 77 -7.496 -2.934 -6.011 1.00 0.00 N ATOM 1160 CA ASN A 77 -7.615 -4.403 -5.779 1.00 0.00 C ATOM 1161 C ASN A 77 -9.056 -4.759 -5.366 1.00 0.00 C ATOM 1162 O ASN A 77 -9.664 -4.048 -4.587 1.00 0.00 O ATOM 1163 CB ASN A 77 -6.650 -4.669 -4.616 1.00 0.00 C ATOM 1164 CG ASN A 77 -5.477 -5.528 -5.083 1.00 0.00 C ATOM 1165 OD1 ASN A 77 -4.577 -5.042 -5.737 1.00 0.00 O ATOM 1166 ND2 ASN A 77 -5.431 -6.785 -4.751 1.00 0.00 N ATOM 0 H ASN A 77 -7.546 -2.367 -5.165 1.00 0.00 H new ATOM 0 HA ASN A 77 -7.384 -4.994 -6.665 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.281 -3.724 -4.218 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.177 -5.172 -3.805 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.640 -7.360 -5.040 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.186 -7.195 -4.202 1.00 0.00 H new ATOM 1173 N PRO A 78 -9.555 -5.854 -5.891 1.00 0.00 N ATOM 1174 CA PRO A 78 -10.939 -6.301 -5.553 1.00 0.00 C ATOM 1175 C PRO A 78 -10.995 -6.878 -4.123 1.00 0.00 C ATOM 1176 O PRO A 78 -11.401 -8.007 -3.912 1.00 0.00 O ATOM 1177 CB PRO A 78 -11.224 -7.381 -6.598 1.00 0.00 C ATOM 1178 CG PRO A 78 -9.879 -7.893 -7.012 1.00 0.00 C ATOM 1179 CD PRO A 78 -8.895 -6.765 -6.836 1.00 0.00 C ATOM 0 HA PRO A 78 -11.669 -5.492 -5.571 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.838 -8.180 -6.181 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -11.768 -6.971 -7.449 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -9.591 -8.752 -6.405 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.898 -8.228 -8.049 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -7.943 -7.124 -6.444 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -8.683 -6.270 -7.784 1.00 0.00 H new ATOM 1187 N ASP A 79 -10.582 -6.108 -3.146 1.00 0.00 N ATOM 1188 CA ASP A 79 -10.594 -6.595 -1.737 1.00 0.00 C ATOM 1189 C ASP A 79 -11.384 -5.633 -0.832 1.00 0.00 C ATOM 1190 O ASP A 79 -11.180 -4.429 -0.939 1.00 0.00 O ATOM 1191 CB ASP A 79 -9.116 -6.631 -1.323 1.00 0.00 C ATOM 1192 CG ASP A 79 -8.327 -7.573 -2.238 1.00 0.00 C ATOM 1193 OD1 ASP A 79 -8.660 -8.745 -2.283 1.00 0.00 O ATOM 1194 OD2 ASP A 79 -7.395 -7.106 -2.871 1.00 0.00 O ATOM 1195 OXT ASP A 79 -12.176 -6.111 -0.036 1.00 0.00 O ATOM 0 H ASP A 79 -10.235 -5.157 -3.268 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.074 -7.569 -1.645 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.693 -5.627 -1.373 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.030 -6.962 -0.288 1.00 0.00 H new TER 1200 ASP A 79 HETATM 1201 CU CU1 A 85 5.431 15.344 -1.367 1.00 0.00 CU