USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 776 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 90 HIS : no HD1:sc= -0.0456 K(o=-0.55,f=-1.1) USER MOD Set 1.2: A 92 HIS : no HE2:sc= -0.504 K(o=-0.55,f=-2.4) USER MOD Set 2.1: A 69 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 71 SER OG : rot 56:sc= 0.385 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 1 GLN N :NH3+ 141:sc= -0.0115 (180deg=-0.0997) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= -0.868 X(o=-0.87,f=-1.3) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 20 SER OG : rot 25:sc= 0.136 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -131:sc= -0.257 USER MOD Single : A 30 HIS : no HE2:sc= 0.383 K(o=0.38,f=-1.9!) USER MOD Single : A 31 LYS NZ :NH3+ -108:sc= 0.0103 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 78:sc= 0.953 USER MOD Single : A 34 THR OG1 : rot 80:sc= 1.27 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 HIS : no HD1:sc= -3.3! K(o=-3.3!,f=-2.6) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.353 USER MOD Single : A 45 MET CE :methyl -171:sc= -0.971 (180deg=-1.37) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 47 ASN : amide:sc= -0.277 K(o=-0.28,f=-2.5!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.807 K(o=-0.81,f=-0.2) USER MOD Single : A 56 GLN : amide:sc= -0.35 K(o=-0.35,f=-3.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -20:sc= 0.408 USER MOD Single : A 72 MET CE :methyl -126:sc= -0.249 (180deg=-1.89!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc=-0.00858 USER MOD Single : A 82 GLN : amide:sc= -1.55 X(o=-1.5,f=-1.4) USER MOD Single : A 85 ASN : amide:sc= -0.0674 K(o=-0.067,f=-1.9!) USER MOD Single : A 88 HIS : no HD1:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.0037) USER MOD Single : A 91 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.018) USER MOD Single : A 93 HIS : no HD1:sc= -0.0843 X(o=-0.084,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 7.423 -21.195 3.535 1.00 0.00 N ATOM 2 CA GLN A 1 7.896 -20.575 2.262 1.00 0.00 C ATOM 3 C GLN A 1 6.724 -20.159 1.373 1.00 0.00 C ATOM 4 O GLN A 1 6.760 -20.334 0.153 1.00 0.00 O ATOM 5 CB GLN A 1 8.793 -21.574 1.523 1.00 0.00 C ATOM 6 CG GLN A 1 10.179 -21.705 2.125 1.00 0.00 C ATOM 7 CD GLN A 1 10.953 -22.873 1.550 1.00 0.00 C ATOM 8 OE1 GLN A 1 10.728 -23.283 0.411 1.00 0.00 O ATOM 9 NE2 GLN A 1 11.871 -23.420 2.336 1.00 0.00 N ATOM 0 H1 GLN A 1 8.042 -21.993 3.783 1.00 0.00 H new ATOM 0 H2 GLN A 1 7.449 -20.487 4.296 1.00 0.00 H new ATOM 0 H3 GLN A 1 6.449 -21.537 3.413 1.00 0.00 H new ATOM 0 HA GLN A 1 8.461 -19.674 2.501 1.00 0.00 H new ATOM 0 HB2 GLN A 1 8.311 -22.552 1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 1 8.886 -21.265 0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 1 10.735 -20.784 1.952 1.00 0.00 H new ATOM 0 HG3 GLN A 1 10.093 -21.827 3.205 1.00 0.00 H new ATOM 0 HE21 GLN A 1 12.026 -23.049 3.274 1.00 0.00 H new ATOM 0 HE22 GLN A 1 12.422 -24.211 2.003 1.00 0.00 H new ATOM 18 N SER A 2 5.687 -19.601 1.994 1.00 0.00 N ATOM 19 CA SER A 2 4.503 -19.154 1.271 1.00 0.00 C ATOM 20 C SER A 2 3.815 -18.025 2.031 1.00 0.00 C ATOM 21 O SER A 2 4.042 -17.853 3.230 1.00 0.00 O ATOM 22 CB SER A 2 3.529 -20.319 1.054 1.00 0.00 C ATOM 23 OG SER A 2 3.654 -21.304 2.071 1.00 0.00 O ATOM 0 H SER A 2 5.645 -19.448 3.002 1.00 0.00 H new ATOM 0 HA SER A 2 4.816 -18.781 0.296 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.507 -19.941 1.037 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.717 -20.774 0.081 1.00 0.00 H new ATOM 0 HG SER A 2 3.018 -22.030 1.903 1.00 0.00 H new ATOM 29 N ASP A 3 2.978 -17.261 1.326 1.00 0.00 N ATOM 30 CA ASP A 3 2.250 -16.139 1.927 1.00 0.00 C ATOM 31 C ASP A 3 3.189 -14.971 2.234 1.00 0.00 C ATOM 32 O ASP A 3 4.381 -15.163 2.490 1.00 0.00 O ATOM 33 CB ASP A 3 1.528 -16.578 3.208 1.00 0.00 C ATOM 34 CG ASP A 3 0.280 -15.759 3.482 1.00 0.00 C ATOM 35 OD1 ASP A 3 0.411 -14.542 3.725 1.00 0.00 O ATOM 36 OD2 ASP A 3 -0.827 -16.336 3.450 1.00 0.00 O ATOM 0 H ASP A 3 2.786 -17.399 0.334 1.00 0.00 H new ATOM 0 HA ASP A 3 1.508 -15.805 1.202 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.257 -17.631 3.126 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.210 -16.489 4.054 1.00 0.00 H new ATOM 41 N VAL A 4 2.640 -13.761 2.203 1.00 0.00 N ATOM 42 CA VAL A 4 3.414 -12.560 2.476 1.00 0.00 C ATOM 43 C VAL A 4 2.736 -11.697 3.538 1.00 0.00 C ATOM 44 O VAL A 4 1.519 -11.511 3.515 1.00 0.00 O ATOM 45 CB VAL A 4 3.615 -11.712 1.204 1.00 0.00 C ATOM 46 CG1 VAL A 4 4.605 -10.591 1.473 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.077 -12.577 0.037 1.00 0.00 C ATOM 0 H VAL A 4 1.657 -13.588 1.990 1.00 0.00 H new ATOM 0 HA VAL A 4 4.386 -12.893 2.841 1.00 0.00 H new ATOM 0 HB VAL A 4 2.657 -11.271 0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.739 -9.999 0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.224 -9.953 2.271 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.563 -11.016 1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.211 -11.954 -0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.023 -13.055 0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.328 -13.342 -0.168 1.00 0.00 H new ATOM 57 N ARG A 5 3.537 -11.166 4.461 1.00 0.00 N ATOM 58 CA ARG A 5 3.022 -10.310 5.526 1.00 0.00 C ATOM 59 C ARG A 5 3.178 -8.840 5.150 1.00 0.00 C ATOM 60 O ARG A 5 4.299 -8.348 4.995 1.00 0.00 O ATOM 61 CB ARG A 5 3.750 -10.591 6.844 1.00 0.00 C ATOM 62 CG ARG A 5 2.949 -11.444 7.815 1.00 0.00 C ATOM 63 CD ARG A 5 3.582 -12.812 8.007 1.00 0.00 C ATOM 64 NE ARG A 5 3.421 -13.303 9.374 1.00 0.00 N ATOM 65 CZ ARG A 5 4.149 -14.289 9.906 1.00 0.00 C ATOM 66 NH1 ARG A 5 5.084 -14.907 9.185 1.00 0.00 N ATOM 67 NH2 ARG A 5 3.937 -14.661 11.162 1.00 0.00 N ATOM 0 H ARG A 5 4.546 -11.314 4.492 1.00 0.00 H new ATOM 0 HA ARG A 5 1.963 -10.531 5.657 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.694 -11.091 6.628 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.994 -9.643 7.323 1.00 0.00 H new ATOM 0 HG2 ARG A 5 2.880 -10.935 8.777 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.931 -11.562 7.443 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.132 -13.521 7.312 1.00 0.00 H new ATOM 0 HD3 ARG A 5 4.643 -12.758 7.764 1.00 0.00 H new ATOM 0 HE ARG A 5 2.708 -12.866 9.958 1.00 0.00 H new ATOM 0 HH11 ARG A 5 5.249 -14.628 8.218 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.634 -15.659 9.600 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.220 -14.195 11.718 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.491 -15.413 11.571 1.00 0.00 H new ATOM 81 N ILE A 6 2.052 -8.143 5.003 1.00 0.00 N ATOM 82 CA ILE A 6 2.064 -6.727 4.641 1.00 0.00 C ATOM 83 C ILE A 6 1.440 -5.875 5.745 1.00 0.00 C ATOM 84 O ILE A 6 0.349 -6.178 6.234 1.00 0.00 O ATOM 85 CB ILE A 6 1.309 -6.470 3.316 1.00 0.00 C ATOM 86 CG1 ILE A 6 1.808 -7.416 2.219 1.00 0.00 C ATOM 87 CG2 ILE A 6 1.467 -5.020 2.880 1.00 0.00 C ATOM 88 CD1 ILE A 6 1.150 -8.777 2.249 1.00 0.00 C ATOM 0 H ILE A 6 1.119 -8.537 5.129 1.00 0.00 H new ATOM 0 HA ILE A 6 3.108 -6.444 4.510 1.00 0.00 H new ATOM 0 HB ILE A 6 0.250 -6.665 3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.630 -6.957 1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.886 -7.540 2.321 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.928 -4.860 1.946 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.062 -4.363 3.649 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.524 -4.798 2.732 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.552 -9.393 1.445 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.349 -9.256 3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.074 -8.664 2.117 1.00 0.00 H new ATOM 100 N LYS A 7 2.140 -4.806 6.129 1.00 0.00 N ATOM 101 CA LYS A 7 1.658 -3.903 7.170 1.00 0.00 C ATOM 102 C LYS A 7 1.181 -2.583 6.569 1.00 0.00 C ATOM 103 O LYS A 7 1.896 -1.950 5.789 1.00 0.00 O ATOM 104 CB LYS A 7 2.756 -3.642 8.205 1.00 0.00 C ATOM 105 CG LYS A 7 2.253 -2.956 9.465 1.00 0.00 C ATOM 106 CD LYS A 7 2.947 -3.489 10.708 1.00 0.00 C ATOM 107 CE LYS A 7 2.190 -3.108 11.970 1.00 0.00 C ATOM 108 NZ LYS A 7 2.802 -3.706 13.190 1.00 0.00 N ATOM 0 H LYS A 7 3.043 -4.546 5.733 1.00 0.00 H new ATOM 0 HA LYS A 7 0.813 -4.382 7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.220 -4.590 8.478 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.533 -3.026 7.751 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.420 -1.882 9.387 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.177 -3.105 9.556 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.029 -4.574 10.644 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.962 -3.095 10.757 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.172 -2.023 12.068 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.154 -3.438 11.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.255 -3.421 14.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.796 -4.743 13.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.782 -3.372 13.286 1.00 0.00 H new ATOM 122 N PHE A 8 -0.032 -2.179 6.939 1.00 0.00 N ATOM 123 CA PHE A 8 -0.622 -0.938 6.445 1.00 0.00 C ATOM 124 C PHE A 8 -0.814 0.064 7.582 1.00 0.00 C ATOM 125 O PHE A 8 -1.303 -0.291 8.656 1.00 0.00 O ATOM 126 CB PHE A 8 -1.967 -1.224 5.771 1.00 0.00 C ATOM 127 CG PHE A 8 -1.840 -1.938 4.454 1.00 0.00 C ATOM 128 CD1 PHE A 8 -1.644 -1.226 3.282 1.00 0.00 C ATOM 129 CD2 PHE A 8 -1.917 -3.321 4.391 1.00 0.00 C ATOM 130 CE1 PHE A 8 -1.529 -1.880 2.071 1.00 0.00 C ATOM 131 CE2 PHE A 8 -1.803 -3.979 3.181 1.00 0.00 C ATOM 132 CZ PHE A 8 -1.607 -3.258 2.020 1.00 0.00 C ATOM 0 H PHE A 8 -0.629 -2.697 7.584 1.00 0.00 H new ATOM 0 HA PHE A 8 0.061 -0.505 5.714 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.580 -1.825 6.443 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.493 -0.282 5.615 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.580 -0.148 3.316 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.068 -3.890 5.297 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.378 -1.314 1.164 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.867 -5.056 3.144 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.515 -3.771 1.074 1.00 0.00 H new ATOM 142 N GLU A 9 -0.429 1.317 7.337 1.00 0.00 N ATOM 143 CA GLU A 9 -0.561 2.369 8.342 1.00 0.00 C ATOM 144 C GLU A 9 -1.474 3.488 7.845 1.00 0.00 C ATOM 145 O GLU A 9 -1.234 4.076 6.789 1.00 0.00 O ATOM 146 CB GLU A 9 0.813 2.938 8.705 1.00 0.00 C ATOM 147 CG GLU A 9 0.980 3.228 10.190 1.00 0.00 C ATOM 148 CD GLU A 9 2.424 3.162 10.653 1.00 0.00 C ATOM 149 OE1 GLU A 9 3.094 2.143 10.379 1.00 0.00 O ATOM 150 OE2 GLU A 9 2.885 4.128 11.297 1.00 0.00 O ATOM 0 H GLU A 9 -0.024 1.626 6.453 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.009 1.928 9.233 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.583 2.233 8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.976 3.858 8.143 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.580 4.219 10.407 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.389 2.513 10.762 1.00 0.00 H new ATOM 157 N HIS A 10 -2.522 3.774 8.618 1.00 0.00 N ATOM 158 CA HIS A 10 -3.477 4.820 8.272 1.00 0.00 C ATOM 159 C HIS A 10 -3.791 5.684 9.488 1.00 0.00 C ATOM 160 O HIS A 10 -4.351 5.200 10.474 1.00 0.00 O ATOM 161 CB HIS A 10 -4.766 4.204 7.719 1.00 0.00 C ATOM 162 CG HIS A 10 -5.642 5.184 7.003 1.00 0.00 C ATOM 163 ND1 HIS A 10 -7.017 5.133 7.044 1.00 0.00 N ATOM 164 CD2 HIS A 10 -5.331 6.248 6.223 1.00 0.00 C ATOM 165 CE1 HIS A 10 -7.515 6.119 6.322 1.00 0.00 C ATOM 166 NE2 HIS A 10 -6.512 6.813 5.813 1.00 0.00 N ATOM 0 H HIS A 10 -2.729 3.291 9.492 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.030 5.450 7.503 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.508 3.395 7.036 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.328 3.761 8.541 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -7.566 4.440 7.553 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.337 6.588 5.971 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -8.565 6.324 6.172 1.00 0.00 H new ATOM 175 N ASN A 11 -3.424 6.966 9.411 1.00 0.00 N ATOM 176 CA ASN A 11 -3.659 7.913 10.505 1.00 0.00 C ATOM 177 C ASN A 11 -2.993 7.441 11.803 1.00 0.00 C ATOM 178 O ASN A 11 -3.502 7.690 12.897 1.00 0.00 O ATOM 179 CB ASN A 11 -5.165 8.109 10.720 1.00 0.00 C ATOM 180 CG ASN A 11 -5.619 9.512 10.365 1.00 0.00 C ATOM 181 OD1 ASN A 11 -5.144 10.493 10.940 1.00 0.00 O ATOM 182 ND2 ASN A 11 -6.542 9.618 9.416 1.00 0.00 N ATOM 0 H ASN A 11 -2.961 7.374 8.599 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.212 8.867 10.227 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -5.713 7.388 10.114 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -5.411 7.902 11.762 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.884 10.538 9.138 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -6.909 8.780 8.965 1.00 0.00 H new ATOM 189 N GLY A 12 -1.856 6.756 11.673 1.00 0.00 N ATOM 190 CA GLY A 12 -1.145 6.257 12.839 1.00 0.00 C ATOM 191 C GLY A 12 -1.479 4.807 13.154 1.00 0.00 C ATOM 192 O GLY A 12 -0.615 4.053 13.607 1.00 0.00 O ATOM 0 H GLY A 12 -1.415 6.538 10.779 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.072 6.350 12.673 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.389 6.877 13.701 1.00 0.00 H new ATOM 196 N GLU A 13 -2.733 4.414 12.910 1.00 0.00 N ATOM 197 CA GLU A 13 -3.179 3.044 13.167 1.00 0.00 C ATOM 198 C GLU A 13 -2.455 2.055 12.257 1.00 0.00 C ATOM 199 O GLU A 13 -2.293 2.303 11.061 1.00 0.00 O ATOM 200 CB GLU A 13 -4.693 2.926 12.961 1.00 0.00 C ATOM 201 CG GLU A 13 -5.501 3.948 13.746 1.00 0.00 C ATOM 202 CD GLU A 13 -6.738 3.351 14.389 1.00 0.00 C ATOM 203 OE1 GLU A 13 -6.617 2.780 15.493 1.00 0.00 O ATOM 204 OE2 GLU A 13 -7.828 3.456 13.790 1.00 0.00 O ATOM 0 H GLU A 13 -3.457 5.027 12.535 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.940 2.803 14.203 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.916 3.038 11.900 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.013 1.925 13.250 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.870 4.386 14.520 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.798 4.758 13.080 1.00 0.00 H new ATOM 211 N ARG A 14 -2.023 0.934 12.833 1.00 0.00 N ATOM 212 CA ARG A 14 -1.313 -0.095 12.078 1.00 0.00 C ATOM 213 C ARG A 14 -2.184 -1.336 11.883 1.00 0.00 C ATOM 214 O ARG A 14 -2.886 -1.765 12.800 1.00 0.00 O ATOM 215 CB ARG A 14 -0.015 -0.477 12.792 1.00 0.00 C ATOM 216 CG ARG A 14 1.114 0.520 12.584 1.00 0.00 C ATOM 217 CD ARG A 14 2.275 0.254 13.528 1.00 0.00 C ATOM 218 NE ARG A 14 2.066 0.865 14.840 1.00 0.00 N ATOM 219 CZ ARG A 14 2.291 2.154 15.110 1.00 0.00 C ATOM 220 NH1 ARG A 14 2.715 2.979 14.154 1.00 0.00 N ATOM 221 NH2 ARG A 14 2.083 2.622 16.338 1.00 0.00 N ATOM 0 H ARG A 14 -2.153 0.716 13.821 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.075 0.314 11.096 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.212 -0.571 13.860 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.308 -1.457 12.440 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.463 0.466 11.553 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.741 1.532 12.741 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.407 -0.822 13.646 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.195 0.642 13.090 1.00 0.00 H new ATOM 0 HE ARG A 14 1.727 0.270 15.596 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.870 2.628 13.209 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.885 3.962 14.367 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.752 1.997 17.073 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.255 3.606 16.545 1.00 0.00 H new ATOM 235 N ARG A 15 -2.128 -1.907 10.679 1.00 0.00 N ATOM 236 CA ARG A 15 -2.903 -3.101 10.349 1.00 0.00 C ATOM 237 C ARG A 15 -2.027 -4.141 9.653 1.00 0.00 C ATOM 238 O ARG A 15 -1.354 -3.835 8.667 1.00 0.00 O ATOM 239 CB ARG A 15 -4.088 -2.731 9.451 1.00 0.00 C ATOM 240 CG ARG A 15 -5.418 -2.673 10.184 1.00 0.00 C ATOM 241 CD ARG A 15 -6.588 -2.582 9.212 1.00 0.00 C ATOM 242 NE ARG A 15 -7.694 -3.461 9.595 1.00 0.00 N ATOM 243 CZ ARG A 15 -7.659 -4.795 9.500 1.00 0.00 C ATOM 244 NH1 ARG A 15 -6.568 -5.412 9.053 1.00 0.00 N ATOM 245 NH2 ARG A 15 -8.721 -5.514 9.856 1.00 0.00 N ATOM 0 H ARG A 15 -1.551 -1.559 9.914 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.279 -3.531 11.277 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.895 -1.762 8.991 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.161 -3.459 8.643 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.530 -3.560 10.808 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.430 -1.811 10.851 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.943 -1.552 9.168 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.247 -2.845 8.210 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.544 -3.030 9.957 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.750 -4.867 8.780 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.550 -6.429 8.984 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.560 -5.048 10.201 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.696 -6.531 9.784 1.00 0.00 H new ATOM 259 N ILE A 16 -2.043 -5.368 10.171 1.00 0.00 N ATOM 260 CA ILE A 16 -1.251 -6.455 9.599 1.00 0.00 C ATOM 261 C ILE A 16 -2.150 -7.493 8.935 1.00 0.00 C ATOM 262 O ILE A 16 -3.050 -8.044 9.574 1.00 0.00 O ATOM 263 CB ILE A 16 -0.388 -7.156 10.673 1.00 0.00 C ATOM 264 CG1 ILE A 16 0.384 -6.124 11.500 1.00 0.00 C ATOM 265 CG2 ILE A 16 0.570 -8.146 10.022 1.00 0.00 C ATOM 266 CD1 ILE A 16 -0.304 -5.749 12.795 1.00 0.00 C ATOM 0 H ILE A 16 -2.596 -5.634 10.986 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.594 -6.008 8.853 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.049 -7.706 11.343 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.375 -6.519 11.726 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.528 -5.225 10.901 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.170 -8.631 10.792 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.000 -8.899 9.478 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.226 -7.617 9.330 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.300 -5.014 13.328 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.284 -5.324 12.577 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.424 -6.638 13.414 1.00 0.00 H new ATOM 278 N ILE A 17 -1.902 -7.760 7.652 1.00 0.00 N ATOM 279 CA ILE A 17 -2.690 -8.739 6.907 1.00 0.00 C ATOM 280 C ILE A 17 -1.794 -9.614 6.035 1.00 0.00 C ATOM 281 O ILE A 17 -0.931 -9.115 5.308 1.00 0.00 O ATOM 282 CB ILE A 17 -3.762 -8.065 6.023 1.00 0.00 C ATOM 283 CG1 ILE A 17 -4.559 -7.041 6.839 1.00 0.00 C ATOM 284 CG2 ILE A 17 -4.693 -9.115 5.427 1.00 0.00 C ATOM 285 CD1 ILE A 17 -5.473 -6.176 6.000 1.00 0.00 C ATOM 0 H ILE A 17 -1.163 -7.313 7.109 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.194 -9.361 7.646 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.263 -7.542 5.207 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.155 -7.568 7.585 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.863 -6.401 7.381 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.444 -8.626 4.806 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.115 -9.810 4.818 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.187 -9.661 6.230 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.004 -5.476 6.645 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.882 -5.621 5.272 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.193 -6.807 5.478 1.00 0.00 H new ATOM 297 N ALA A 18 -2.011 -10.924 6.117 1.00 0.00 N ATOM 298 CA ALA A 18 -1.235 -11.888 5.346 1.00 0.00 C ATOM 299 C ALA A 18 -1.913 -12.200 4.012 1.00 0.00 C ATOM 300 O ALA A 18 -3.122 -12.438 3.963 1.00 0.00 O ATOM 301 CB ALA A 18 -1.043 -13.160 6.159 1.00 0.00 C ATOM 0 H ALA A 18 -2.723 -11.343 6.714 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.260 -11.453 5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.463 -13.878 5.580 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.513 -12.925 7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.016 -13.589 6.399 1.00 0.00 H new ATOM 307 N PHE A 19 -1.126 -12.200 2.935 1.00 0.00 N ATOM 308 CA PHE A 19 -1.644 -12.488 1.597 1.00 0.00 C ATOM 309 C PHE A 19 -1.018 -13.763 1.037 1.00 0.00 C ATOM 310 O PHE A 19 0.200 -13.842 0.865 1.00 0.00 O ATOM 311 CB PHE A 19 -1.364 -11.319 0.649 1.00 0.00 C ATOM 312 CG PHE A 19 -2.450 -10.280 0.634 1.00 0.00 C ATOM 313 CD1 PHE A 19 -3.684 -10.557 0.066 1.00 0.00 C ATOM 314 CD2 PHE A 19 -2.235 -9.027 1.184 1.00 0.00 C ATOM 315 CE1 PHE A 19 -4.682 -9.603 0.048 1.00 0.00 C ATOM 316 CE2 PHE A 19 -3.230 -8.068 1.168 1.00 0.00 C ATOM 317 CZ PHE A 19 -4.456 -8.357 0.600 1.00 0.00 C ATOM 0 H PHE A 19 -0.126 -12.003 2.964 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.722 -12.631 1.679 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.425 -10.846 0.937 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.230 -11.706 -0.361 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.867 -11.529 -0.367 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.279 -8.797 1.630 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.639 -9.831 -0.398 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.050 -7.094 1.599 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.236 -7.610 0.588 1.00 0.00 H new ATOM 327 N SER A 20 -1.859 -14.757 0.750 1.00 0.00 N ATOM 328 CA SER A 20 -1.392 -16.029 0.205 1.00 0.00 C ATOM 329 C SER A 20 -1.014 -15.885 -1.272 1.00 0.00 C ATOM 330 O SER A 20 -1.777 -15.333 -2.066 1.00 0.00 O ATOM 331 CB SER A 20 -2.470 -17.105 0.376 1.00 0.00 C ATOM 332 OG SER A 20 -3.641 -16.780 -0.358 1.00 0.00 O ATOM 0 H SER A 20 -2.868 -14.704 0.887 1.00 0.00 H new ATOM 0 HA SER A 20 -0.501 -16.331 0.756 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.083 -18.067 0.041 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.717 -17.211 1.432 1.00 0.00 H new ATOM 0 HG SER A 20 -3.406 -16.192 -1.106 1.00 0.00 H new ATOM 338 N ARG A 21 0.169 -16.383 -1.629 1.00 0.00 N ATOM 339 CA ARG A 21 0.650 -16.306 -3.009 1.00 0.00 C ATOM 340 C ARG A 21 -0.088 -17.296 -3.910 1.00 0.00 C ATOM 341 O ARG A 21 -0.554 -18.339 -3.447 1.00 0.00 O ATOM 342 CB ARG A 21 2.155 -16.575 -3.058 1.00 0.00 C ATOM 343 CG ARG A 21 2.993 -15.309 -3.088 1.00 0.00 C ATOM 344 CD ARG A 21 4.473 -15.621 -2.959 1.00 0.00 C ATOM 345 NE ARG A 21 4.958 -15.445 -1.589 1.00 0.00 N ATOM 346 CZ ARG A 21 6.144 -15.882 -1.155 1.00 0.00 C ATOM 347 NH1 ARG A 21 6.961 -16.542 -1.973 1.00 0.00 N ATOM 348 NH2 ARG A 21 6.512 -15.665 0.103 1.00 0.00 N ATOM 0 H ARG A 21 0.811 -16.843 -0.984 1.00 0.00 H new ATOM 0 HA ARG A 21 0.452 -15.300 -3.378 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.439 -17.169 -2.189 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.381 -17.173 -3.941 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.812 -14.773 -4.020 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.687 -14.649 -2.277 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.655 -16.647 -3.278 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.039 -14.974 -3.629 1.00 0.00 H new ATOM 0 HE ARG A 21 4.354 -14.959 -0.926 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.683 -16.717 -2.939 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.865 -16.872 -1.634 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.889 -15.165 0.737 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.417 -15.999 0.434 1.00 0.00 H new ATOM 362 N PRO A 22 -0.210 -16.982 -5.218 1.00 0.00 N ATOM 363 CA PRO A 22 0.329 -15.749 -5.812 1.00 0.00 C ATOM 364 C PRO A 22 -0.527 -14.519 -5.506 1.00 0.00 C ATOM 365 O PRO A 22 -1.665 -14.641 -5.052 1.00 0.00 O ATOM 366 CB PRO A 22 0.310 -16.053 -7.310 1.00 0.00 C ATOM 367 CG PRO A 22 -0.826 -17.002 -7.485 1.00 0.00 C ATOM 368 CD PRO A 22 -0.891 -17.823 -6.224 1.00 0.00 C ATOM 0 HA PRO A 22 1.315 -15.504 -5.417 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.163 -15.146 -7.897 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.251 -16.496 -7.637 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.760 -16.464 -7.647 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.670 -17.639 -8.356 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.921 -18.034 -5.937 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.391 -18.784 -6.346 1.00 0.00 H new ATOM 376 N VAL A 23 0.031 -13.333 -5.758 1.00 0.00 N ATOM 377 CA VAL A 23 -0.678 -12.079 -5.510 1.00 0.00 C ATOM 378 C VAL A 23 -0.182 -10.966 -6.443 1.00 0.00 C ATOM 379 O VAL A 23 0.960 -10.995 -6.905 1.00 0.00 O ATOM 380 CB VAL A 23 -0.520 -11.635 -4.037 1.00 0.00 C ATOM 381 CG1 VAL A 23 0.942 -11.366 -3.704 1.00 0.00 C ATOM 382 CG2 VAL A 23 -1.378 -10.412 -3.746 1.00 0.00 C ATOM 0 H VAL A 23 0.972 -13.216 -6.134 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.734 -12.258 -5.713 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.865 -12.449 -3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.027 -11.055 -2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.524 -12.274 -3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.323 -10.576 -4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.251 -10.118 -2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.073 -9.591 -4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.426 -10.650 -3.930 1.00 0.00 H new ATOM 392 N LYS A 24 -1.054 -9.992 -6.722 1.00 0.00 N ATOM 393 CA LYS A 24 -0.710 -8.874 -7.604 1.00 0.00 C ATOM 394 C LYS A 24 -1.153 -7.534 -7.010 1.00 0.00 C ATOM 395 O LYS A 24 -1.965 -7.493 -6.085 1.00 0.00 O ATOM 396 CB LYS A 24 -1.352 -9.075 -8.982 1.00 0.00 C ATOM 397 CG LYS A 24 -2.820 -9.478 -8.925 1.00 0.00 C ATOM 398 CD LYS A 24 -2.984 -10.990 -8.917 1.00 0.00 C ATOM 399 CE LYS A 24 -3.484 -11.506 -10.257 1.00 0.00 C ATOM 400 NZ LYS A 24 -4.974 -11.556 -10.320 1.00 0.00 N ATOM 0 H LYS A 24 -2.003 -9.956 -6.350 1.00 0.00 H new ATOM 0 HA LYS A 24 0.375 -8.852 -7.709 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.261 -8.151 -9.553 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.796 -9.840 -9.523 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.279 -9.057 -8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.347 -9.059 -9.782 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.029 -11.459 -8.679 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.684 -11.276 -8.132 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.109 -10.864 -11.054 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.081 -12.503 -10.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.270 -11.913 -11.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.332 -12.189 -9.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.360 -10.601 -10.177 1.00 0.00 H new ATOM 414 N TYR A 25 -0.609 -6.439 -7.557 1.00 0.00 N ATOM 415 CA TYR A 25 -0.944 -5.090 -7.091 1.00 0.00 C ATOM 416 C TYR A 25 -2.449 -4.832 -7.175 1.00 0.00 C ATOM 417 O TYR A 25 -3.041 -4.286 -6.246 1.00 0.00 O ATOM 418 CB TYR A 25 -0.195 -4.031 -7.913 1.00 0.00 C ATOM 419 CG TYR A 25 -0.169 -2.658 -7.270 1.00 0.00 C ATOM 420 CD1 TYR A 25 -1.329 -1.895 -7.162 1.00 0.00 C ATOM 421 CD2 TYR A 25 1.013 -2.123 -6.771 1.00 0.00 C ATOM 422 CE1 TYR A 25 -1.308 -0.643 -6.576 1.00 0.00 C ATOM 423 CE2 TYR A 25 1.039 -0.871 -6.183 1.00 0.00 C ATOM 424 CZ TYR A 25 -0.123 -0.138 -6.088 1.00 0.00 C ATOM 425 OH TYR A 25 -0.100 1.108 -5.500 1.00 0.00 O ATOM 0 H TYR A 25 0.065 -6.462 -8.322 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.636 -5.019 -6.048 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.830 -4.366 -8.071 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.660 -3.952 -8.896 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.260 -2.288 -7.542 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.927 -2.694 -6.844 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -2.216 -0.064 -6.501 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.966 -0.470 -5.800 1.00 0.00 H new ATOM 0 HH TYR A 25 0.629 1.638 -5.885 1.00 0.00 H new ATOM 435 N GLU A 26 -3.057 -5.222 -8.297 1.00 0.00 N ATOM 436 CA GLU A 26 -4.491 -5.030 -8.505 1.00 0.00 C ATOM 437 C GLU A 26 -5.309 -5.717 -7.414 1.00 0.00 C ATOM 438 O GLU A 26 -6.256 -5.137 -6.887 1.00 0.00 O ATOM 439 CB GLU A 26 -4.911 -5.571 -9.874 1.00 0.00 C ATOM 440 CG GLU A 26 -4.941 -4.516 -10.968 1.00 0.00 C ATOM 441 CD GLU A 26 -3.603 -4.363 -11.664 1.00 0.00 C ATOM 442 OE1 GLU A 26 -3.171 -5.323 -12.338 1.00 0.00 O ATOM 443 OE2 GLU A 26 -2.986 -3.287 -11.534 1.00 0.00 O ATOM 0 H GLU A 26 -2.577 -5.673 -9.076 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.687 -3.959 -8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.224 -6.365 -10.167 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.900 -6.021 -9.789 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.701 -4.781 -11.703 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.234 -3.559 -10.537 1.00 0.00 H new ATOM 450 N ASP A 27 -4.944 -6.957 -7.091 1.00 0.00 N ATOM 451 CA ASP A 27 -5.656 -7.720 -6.069 1.00 0.00 C ATOM 452 C ASP A 27 -5.469 -7.111 -4.682 1.00 0.00 C ATOM 453 O ASP A 27 -6.428 -6.984 -3.919 1.00 0.00 O ATOM 454 CB ASP A 27 -5.192 -9.179 -6.065 1.00 0.00 C ATOM 455 CG ASP A 27 -6.271 -10.121 -5.576 1.00 0.00 C ATOM 456 OD1 ASP A 27 -6.404 -10.283 -4.343 1.00 0.00 O ATOM 457 OD2 ASP A 27 -6.988 -10.692 -6.423 1.00 0.00 O ATOM 0 H ASP A 27 -4.163 -7.452 -7.521 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.717 -7.683 -6.315 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.891 -9.466 -7.073 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.312 -9.277 -5.430 1.00 0.00 H new ATOM 462 N VAL A 28 -4.232 -6.735 -4.358 1.00 0.00 N ATOM 463 CA VAL A 28 -3.930 -6.141 -3.058 1.00 0.00 C ATOM 464 C VAL A 28 -4.568 -4.760 -2.924 1.00 0.00 C ATOM 465 O VAL A 28 -5.192 -4.455 -1.907 1.00 0.00 O ATOM 466 CB VAL A 28 -2.407 -6.026 -2.815 1.00 0.00 C ATOM 467 CG1 VAL A 28 -2.119 -5.518 -1.407 1.00 0.00 C ATOM 468 CG2 VAL A 28 -1.721 -7.366 -3.053 1.00 0.00 C ATOM 0 H VAL A 28 -3.426 -6.831 -4.976 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.350 -6.808 -2.306 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.005 -5.304 -3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.041 -5.445 -1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.570 -4.535 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.539 -6.210 -0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.650 -7.263 -2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.131 -8.111 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.890 -7.684 -4.082 1.00 0.00 H new ATOM 478 N GLU A 29 -4.406 -3.934 -3.955 1.00 0.00 N ATOM 479 CA GLU A 29 -4.964 -2.584 -3.957 1.00 0.00 C ATOM 480 C GLU A 29 -6.490 -2.612 -3.902 1.00 0.00 C ATOM 481 O GLU A 29 -7.099 -1.818 -3.187 1.00 0.00 O ATOM 482 CB GLU A 29 -4.500 -1.809 -5.192 1.00 0.00 C ATOM 483 CG GLU A 29 -4.522 -0.300 -5.003 1.00 0.00 C ATOM 484 CD GLU A 29 -4.898 0.447 -6.269 1.00 0.00 C ATOM 485 OE1 GLU A 29 -5.989 0.179 -6.817 1.00 0.00 O ATOM 486 OE2 GLU A 29 -4.103 1.306 -6.707 1.00 0.00 O ATOM 0 H GLU A 29 -3.892 -4.177 -4.802 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.599 -2.078 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.487 -2.121 -5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.137 -2.071 -6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.231 -0.048 -4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.540 0.034 -4.668 1.00 0.00 H new ATOM 493 N HIS A 30 -7.105 -3.528 -4.655 1.00 0.00 N ATOM 494 CA HIS A 30 -8.565 -3.646 -4.676 1.00 0.00 C ATOM 495 C HIS A 30 -9.118 -3.875 -3.269 1.00 0.00 C ATOM 496 O HIS A 30 -10.146 -3.306 -2.898 1.00 0.00 O ATOM 497 CB HIS A 30 -9.000 -4.785 -5.603 1.00 0.00 C ATOM 498 CG HIS A 30 -9.395 -4.328 -6.973 1.00 0.00 C ATOM 499 ND1 HIS A 30 -8.487 -3.882 -7.910 1.00 0.00 N ATOM 500 CD2 HIS A 30 -10.611 -4.255 -7.567 1.00 0.00 C ATOM 501 CE1 HIS A 30 -9.126 -3.556 -9.020 1.00 0.00 C ATOM 502 NE2 HIS A 30 -10.415 -3.774 -8.837 1.00 0.00 N ATOM 0 H HIS A 30 -6.618 -4.195 -5.254 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.970 -2.708 -5.056 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.184 -5.503 -5.690 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.840 -5.311 -5.149 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -7.479 -3.814 -7.768 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -11.558 -4.525 -7.123 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -8.671 -3.176 -9.923 1.00 0.00 H new ATOM 511 N LYS A 31 -8.429 -4.712 -2.489 1.00 0.00 N ATOM 512 CA LYS A 31 -8.851 -5.016 -1.126 1.00 0.00 C ATOM 513 C LYS A 31 -8.669 -3.808 -0.207 1.00 0.00 C ATOM 514 O LYS A 31 -9.583 -3.442 0.527 1.00 0.00 O ATOM 515 CB LYS A 31 -8.066 -6.214 -0.576 1.00 0.00 C ATOM 516 CG LYS A 31 -8.664 -6.809 0.689 1.00 0.00 C ATOM 517 CD LYS A 31 -9.374 -8.128 0.411 1.00 0.00 C ATOM 518 CE LYS A 31 -9.189 -9.118 1.552 1.00 0.00 C ATOM 519 NZ LYS A 31 -7.837 -9.747 1.536 1.00 0.00 N ATOM 0 H LYS A 31 -7.577 -5.190 -2.781 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.911 -5.267 -1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.017 -6.987 -1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.042 -5.903 -0.371 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.875 -6.968 1.424 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.369 -6.102 1.126 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.437 -7.944 0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.989 -8.561 -0.512 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.339 -8.607 2.503 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.951 -9.895 1.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.919 -10.740 1.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.224 -9.235 0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.424 -9.706 2.490 1.00 0.00 H new ATOM 533 N VAL A 32 -7.484 -3.195 -0.250 1.00 0.00 N ATOM 534 CA VAL A 32 -7.191 -2.030 0.590 1.00 0.00 C ATOM 535 C VAL A 32 -8.061 -0.833 0.211 1.00 0.00 C ATOM 536 O VAL A 32 -8.571 -0.133 1.087 1.00 0.00 O ATOM 537 CB VAL A 32 -5.705 -1.620 0.507 1.00 0.00 C ATOM 538 CG1 VAL A 32 -5.412 -0.461 1.453 1.00 0.00 C ATOM 539 CG2 VAL A 32 -4.803 -2.807 0.814 1.00 0.00 C ATOM 0 H VAL A 32 -6.715 -3.484 -0.854 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.417 -2.328 1.614 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.498 -1.289 -0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.359 -0.188 1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.029 0.395 1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.638 -0.761 2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.760 -2.497 0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.012 -3.173 1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.990 -3.602 0.093 1.00 0.00 H new ATOM 549 N THR A 33 -8.226 -0.605 -1.092 1.00 0.00 N ATOM 550 CA THR A 33 -9.040 0.507 -1.576 1.00 0.00 C ATOM 551 C THR A 33 -10.476 0.390 -1.063 1.00 0.00 C ATOM 552 O THR A 33 -11.085 1.388 -0.693 1.00 0.00 O ATOM 553 CB THR A 33 -9.020 0.564 -3.109 1.00 0.00 C ATOM 554 OG1 THR A 33 -7.707 0.811 -3.581 1.00 0.00 O ATOM 555 CG2 THR A 33 -9.914 1.641 -3.682 1.00 0.00 C ATOM 0 H THR A 33 -7.808 -1.174 -1.828 1.00 0.00 H new ATOM 0 HA THR A 33 -8.613 1.433 -1.191 1.00 0.00 H new ATOM 0 HB THR A 33 -9.389 -0.408 -3.438 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.184 -0.017 -3.543 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.852 1.625 -4.770 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.944 1.460 -3.375 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.592 2.615 -3.314 1.00 0.00 H new ATOM 563 N THR A 34 -11.009 -0.832 -1.035 1.00 0.00 N ATOM 564 CA THR A 34 -12.374 -1.055 -0.551 1.00 0.00 C ATOM 565 C THR A 34 -12.460 -0.890 0.970 1.00 0.00 C ATOM 566 O THR A 34 -13.487 -0.457 1.492 1.00 0.00 O ATOM 567 CB THR A 34 -12.872 -2.447 -0.956 1.00 0.00 C ATOM 568 OG1 THR A 34 -12.718 -2.654 -2.352 1.00 0.00 O ATOM 569 CG2 THR A 34 -14.330 -2.684 -0.618 1.00 0.00 C ATOM 0 H THR A 34 -10.523 -1.676 -1.338 1.00 0.00 H new ATOM 0 HA THR A 34 -13.013 -0.303 -1.013 1.00 0.00 H new ATOM 0 HB THR A 34 -12.262 -3.146 -0.384 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.787 -2.888 -2.547 1.00 0.00 H new ATOM 0 HG21 THR A 34 -14.618 -3.688 -0.931 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.475 -2.584 0.458 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.948 -1.951 -1.137 1.00 0.00 H new ATOM 577 N VAL A 35 -11.382 -1.241 1.677 1.00 0.00 N ATOM 578 CA VAL A 35 -11.357 -1.132 3.136 1.00 0.00 C ATOM 579 C VAL A 35 -11.408 0.327 3.588 1.00 0.00 C ATOM 580 O VAL A 35 -12.306 0.717 4.335 1.00 0.00 O ATOM 581 CB VAL A 35 -10.106 -1.803 3.750 1.00 0.00 C ATOM 582 CG1 VAL A 35 -10.131 -1.693 5.270 1.00 0.00 C ATOM 583 CG2 VAL A 35 -10.006 -3.261 3.322 1.00 0.00 C ATOM 0 H VAL A 35 -10.521 -1.601 1.265 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.245 -1.655 3.492 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.225 -1.279 3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.243 -2.171 5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.146 -0.642 5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.022 -2.188 5.656 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.118 -3.711 3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.892 -3.800 3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.936 -3.317 2.236 1.00 0.00 H new ATOM 593 N PHE A 36 -10.434 1.127 3.146 1.00 0.00 N ATOM 594 CA PHE A 36 -10.371 2.539 3.529 1.00 0.00 C ATOM 595 C PHE A 36 -11.011 3.468 2.488 1.00 0.00 C ATOM 596 O PHE A 36 -10.920 4.691 2.616 1.00 0.00 O ATOM 597 CB PHE A 36 -8.917 2.959 3.765 1.00 0.00 C ATOM 598 CG PHE A 36 -8.218 2.157 4.828 1.00 0.00 C ATOM 599 CD1 PHE A 36 -8.761 2.037 6.097 1.00 0.00 C ATOM 600 CD2 PHE A 36 -7.014 1.524 4.555 1.00 0.00 C ATOM 601 CE1 PHE A 36 -8.119 1.301 7.073 1.00 0.00 C ATOM 602 CE2 PHE A 36 -6.369 0.787 5.528 1.00 0.00 C ATOM 603 CZ PHE A 36 -6.922 0.675 6.788 1.00 0.00 C ATOM 0 H PHE A 36 -9.683 0.823 2.526 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.945 2.638 4.450 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.365 2.864 2.830 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.894 4.013 4.044 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.697 2.525 6.325 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.577 1.609 3.571 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.553 1.215 8.058 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.432 0.298 5.304 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.419 0.098 7.550 1.00 0.00 H new ATOM 613 N GLY A 37 -11.654 2.902 1.463 1.00 0.00 N ATOM 614 CA GLY A 37 -12.283 3.722 0.444 1.00 0.00 C ATOM 615 C GLY A 37 -11.291 4.244 -0.584 1.00 0.00 C ATOM 616 O GLY A 37 -10.107 3.909 -0.542 1.00 0.00 O ATOM 0 H GLY A 37 -11.748 1.896 1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.052 3.139 -0.063 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.784 4.565 0.920 1.00 0.00 H new ATOM 620 N GLN A 38 -11.778 5.066 -1.507 1.00 0.00 N ATOM 621 CA GLN A 38 -10.930 5.638 -2.556 1.00 0.00 C ATOM 622 C GLN A 38 -11.139 7.149 -2.669 1.00 0.00 C ATOM 623 O GLN A 38 -12.190 7.667 -2.285 1.00 0.00 O ATOM 624 CB GLN A 38 -11.214 4.969 -3.908 1.00 0.00 C ATOM 625 CG GLN A 38 -12.692 4.911 -4.280 1.00 0.00 C ATOM 626 CD GLN A 38 -12.969 5.481 -5.659 1.00 0.00 C ATOM 627 OE1 GLN A 38 -12.775 6.673 -5.899 1.00 0.00 O ATOM 628 NE2 GLN A 38 -13.426 4.634 -6.576 1.00 0.00 N ATOM 0 H GLN A 38 -12.756 5.354 -1.553 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.892 5.452 -2.281 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.676 5.508 -4.687 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.816 3.955 -3.889 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.032 3.876 -4.244 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -13.271 5.463 -3.540 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.573 3.654 -6.336 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.629 4.965 -7.519 1.00 0.00 H new ATOM 637 N PRO A 39 -10.135 7.882 -3.194 1.00 0.00 N ATOM 638 CA PRO A 39 -8.871 7.312 -3.662 1.00 0.00 C ATOM 639 C PRO A 39 -7.793 7.256 -2.575 1.00 0.00 C ATOM 640 O PRO A 39 -7.803 8.052 -1.632 1.00 0.00 O ATOM 641 CB PRO A 39 -8.472 8.290 -4.764 1.00 0.00 C ATOM 642 CG PRO A 39 -8.993 9.616 -4.306 1.00 0.00 C ATOM 643 CD PRO A 39 -10.159 9.343 -3.381 1.00 0.00 C ATOM 0 HA PRO A 39 -8.977 6.276 -3.983 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.391 8.315 -4.898 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.906 8.004 -5.722 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.215 10.177 -3.789 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.310 10.220 -5.157 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -10.047 9.868 -2.432 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.101 9.673 -3.819 1.00 0.00 H new ATOM 651 N LEU A 40 -6.862 6.312 -2.721 1.00 0.00 N ATOM 652 CA LEU A 40 -5.769 6.147 -1.765 1.00 0.00 C ATOM 653 C LEU A 40 -4.447 5.896 -2.486 1.00 0.00 C ATOM 654 O LEU A 40 -4.407 5.191 -3.497 1.00 0.00 O ATOM 655 CB LEU A 40 -6.059 4.983 -0.815 1.00 0.00 C ATOM 656 CG LEU A 40 -7.060 5.280 0.300 1.00 0.00 C ATOM 657 CD1 LEU A 40 -7.659 3.992 0.831 1.00 0.00 C ATOM 658 CD2 LEU A 40 -6.395 6.057 1.426 1.00 0.00 C ATOM 0 H LEU A 40 -6.844 5.648 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.688 7.070 -1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.432 4.143 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.120 4.664 -0.362 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.861 5.892 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.370 4.221 1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.172 3.470 0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.866 3.358 1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.125 6.258 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.574 5.470 1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.009 7.000 1.039 1.00 0.00 H new ATOM 670 N ASP A 41 -3.367 6.472 -1.958 1.00 0.00 N ATOM 671 CA ASP A 41 -2.040 6.305 -2.547 1.00 0.00 C ATOM 672 C ASP A 41 -1.118 5.534 -1.605 1.00 0.00 C ATOM 673 O ASP A 41 -0.973 5.894 -0.434 1.00 0.00 O ATOM 674 CB ASP A 41 -1.420 7.670 -2.880 1.00 0.00 C ATOM 675 CG ASP A 41 -2.328 8.547 -3.727 1.00 0.00 C ATOM 676 OD1 ASP A 41 -2.957 8.024 -4.672 1.00 0.00 O ATOM 677 OD2 ASP A 41 -2.409 9.762 -3.443 1.00 0.00 O ATOM 0 H ASP A 41 -3.386 7.058 -1.123 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.154 5.734 -3.468 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.184 8.191 -1.952 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.479 7.516 -3.407 1.00 0.00 H new ATOM 682 N LEU A 42 -0.498 4.473 -2.122 1.00 0.00 N ATOM 683 CA LEU A 42 0.415 3.648 -1.329 1.00 0.00 C ATOM 684 C LEU A 42 1.857 4.133 -1.481 1.00 0.00 C ATOM 685 O LEU A 42 2.442 4.036 -2.563 1.00 0.00 O ATOM 686 CB LEU A 42 0.316 2.175 -1.744 1.00 0.00 C ATOM 687 CG LEU A 42 -1.105 1.625 -1.895 1.00 0.00 C ATOM 688 CD1 LEU A 42 -1.072 0.218 -2.471 1.00 0.00 C ATOM 689 CD2 LEU A 42 -1.833 1.641 -0.557 1.00 0.00 C ATOM 0 H LEU A 42 -0.611 4.164 -3.087 1.00 0.00 H new ATOM 0 HA LEU A 42 0.123 3.740 -0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.839 2.047 -2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.843 1.572 -1.005 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.650 2.267 -2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.090 -0.158 -2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.594 0.237 -3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.509 -0.435 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.841 1.246 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.291 1.024 0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.889 2.664 -0.185 1.00 0.00 H new ATOM 701 N HIS A 43 2.419 4.659 -0.394 1.00 0.00 N ATOM 702 CA HIS A 43 3.787 5.165 -0.401 1.00 0.00 C ATOM 703 C HIS A 43 4.709 4.274 0.431 1.00 0.00 C ATOM 704 O HIS A 43 4.493 4.092 1.631 1.00 0.00 O ATOM 705 CB HIS A 43 3.821 6.597 0.140 1.00 0.00 C ATOM 706 CG HIS A 43 5.017 7.379 -0.302 1.00 0.00 C ATOM 707 ND1 HIS A 43 5.327 8.628 0.192 1.00 0.00 N ATOM 708 CD2 HIS A 43 5.984 7.081 -1.202 1.00 0.00 C ATOM 709 CE1 HIS A 43 6.432 9.065 -0.387 1.00 0.00 C ATOM 710 NE2 HIS A 43 6.851 8.143 -1.234 1.00 0.00 N ATOM 0 H HIS A 43 1.945 4.745 0.505 1.00 0.00 H new ATOM 0 HA HIS A 43 4.144 5.159 -1.431 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.919 7.118 -0.180 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.801 6.565 1.229 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.059 6.175 -1.786 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.911 10.015 -0.199 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.685 8.210 -1.818 1.00 0.00 H new ATOM 719 N TYR A 44 5.739 3.729 -0.212 1.00 0.00 N ATOM 720 CA TYR A 44 6.695 2.863 0.463 1.00 0.00 C ATOM 721 C TYR A 44 7.838 3.679 1.063 1.00 0.00 C ATOM 722 O TYR A 44 8.440 4.512 0.387 1.00 0.00 O ATOM 723 CB TYR A 44 7.257 1.826 -0.514 1.00 0.00 C ATOM 724 CG TYR A 44 7.588 0.500 0.132 1.00 0.00 C ATOM 725 CD1 TYR A 44 6.680 -0.123 0.977 1.00 0.00 C ATOM 726 CD2 TYR A 44 8.806 -0.124 -0.101 1.00 0.00 C ATOM 727 CE1 TYR A 44 6.978 -1.332 1.574 1.00 0.00 C ATOM 728 CE2 TYR A 44 9.111 -1.335 0.492 1.00 0.00 C ATOM 729 CZ TYR A 44 8.194 -1.933 1.328 1.00 0.00 C ATOM 730 OH TYR A 44 8.494 -3.140 1.917 1.00 0.00 O ATOM 0 H TYR A 44 5.931 3.874 -1.203 1.00 0.00 H new ATOM 0 HA TYR A 44 6.173 2.348 1.270 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.532 1.661 -1.311 1.00 0.00 H new ATOM 0 HB3 TYR A 44 8.157 2.228 -0.979 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.726 0.345 1.170 1.00 0.00 H new ATOM 0 HD2 TYR A 44 9.526 0.344 -0.756 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.262 -1.804 2.230 1.00 0.00 H new ATOM 0 HE2 TYR A 44 10.062 -1.809 0.301 1.00 0.00 H new ATOM 0 HH TYR A 44 9.389 -3.426 1.639 1.00 0.00 H new ATOM 740 N MET A 45 8.133 3.432 2.337 1.00 0.00 N ATOM 741 CA MET A 45 9.205 4.138 3.028 1.00 0.00 C ATOM 742 C MET A 45 10.173 3.147 3.669 1.00 0.00 C ATOM 743 O MET A 45 9.807 2.419 4.593 1.00 0.00 O ATOM 744 CB MET A 45 8.625 5.074 4.090 1.00 0.00 C ATOM 745 CG MET A 45 8.388 6.491 3.591 1.00 0.00 C ATOM 746 SD MET A 45 6.972 6.611 2.479 1.00 0.00 S ATOM 747 CE MET A 45 5.735 7.305 3.572 1.00 0.00 C ATOM 0 H MET A 45 7.643 2.746 2.911 1.00 0.00 H new ATOM 0 HA MET A 45 9.753 4.733 2.298 1.00 0.00 H new ATOM 0 HB2 MET A 45 7.682 4.662 4.449 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.303 5.107 4.942 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.231 7.151 4.444 1.00 0.00 H new ATOM 0 HG3 MET A 45 9.281 6.844 3.075 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.763 7.290 3.078 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.686 6.715 4.487 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.001 8.333 3.817 1.00 0.00 H new ATOM 757 N ASN A 46 11.410 3.123 3.171 1.00 0.00 N ATOM 758 CA ASN A 46 12.434 2.220 3.693 1.00 0.00 C ATOM 759 C ASN A 46 12.915 2.684 5.064 1.00 0.00 C ATOM 760 O ASN A 46 12.895 1.919 6.031 1.00 0.00 O ATOM 761 CB ASN A 46 13.618 2.138 2.725 1.00 0.00 C ATOM 762 CG ASN A 46 13.595 0.871 1.894 1.00 0.00 C ATOM 763 OD1 ASN A 46 12.936 0.810 0.854 1.00 0.00 O ATOM 764 ND2 ASN A 46 14.312 -0.149 2.346 1.00 0.00 N ATOM 0 H ASN A 46 11.726 3.719 2.406 1.00 0.00 H new ATOM 0 HA ASN A 46 11.991 1.229 3.796 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.604 3.004 2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.550 2.183 3.289 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.333 -1.027 1.828 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.843 -0.055 3.212 1.00 0.00 H new ATOM 771 N ASN A 47 13.343 3.944 5.135 1.00 0.00 N ATOM 772 CA ASN A 47 13.830 4.535 6.380 1.00 0.00 C ATOM 773 C ASN A 47 14.172 6.009 6.170 1.00 0.00 C ATOM 774 O ASN A 47 13.643 6.883 6.857 1.00 0.00 O ATOM 775 CB ASN A 47 15.060 3.777 6.899 1.00 0.00 C ATOM 776 CG ASN A 47 14.838 3.173 8.277 1.00 0.00 C ATOM 777 OD1 ASN A 47 13.708 3.091 8.761 1.00 0.00 O ATOM 778 ND2 ASN A 47 15.918 2.744 8.922 1.00 0.00 N ATOM 0 H ASN A 47 13.362 4.579 4.337 1.00 0.00 H new ATOM 0 HA ASN A 47 13.038 4.459 7.125 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.317 2.984 6.196 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.911 4.457 6.937 1.00 0.00 H new ATOM 0 HD21 ASN A 47 15.827 2.330 9.850 1.00 0.00 H new ATOM 0 HD22 ASN A 47 16.838 2.829 8.489 1.00 0.00 H new ATOM 785 N GLU A 48 15.060 6.269 5.210 1.00 0.00 N ATOM 786 CA GLU A 48 15.484 7.631 4.891 1.00 0.00 C ATOM 787 C GLU A 48 14.891 8.108 3.559 1.00 0.00 C ATOM 788 O GLU A 48 14.716 9.311 3.352 1.00 0.00 O ATOM 789 CB GLU A 48 17.013 7.707 4.838 1.00 0.00 C ATOM 790 CG GLU A 48 17.637 8.309 6.092 1.00 0.00 C ATOM 791 CD GLU A 48 18.527 7.335 6.846 1.00 0.00 C ATOM 792 OE1 GLU A 48 19.244 6.545 6.194 1.00 0.00 O ATOM 793 OE2 GLU A 48 18.511 7.367 8.096 1.00 0.00 O ATOM 0 H GLU A 48 15.501 5.549 4.637 1.00 0.00 H new ATOM 0 HA GLU A 48 15.114 8.288 5.678 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.413 6.704 4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.309 8.301 3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.223 9.185 5.814 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.843 8.654 6.755 1.00 0.00 H new ATOM 800 N LEU A 49 14.590 7.167 2.656 1.00 0.00 N ATOM 801 CA LEU A 49 14.029 7.504 1.350 1.00 0.00 C ATOM 802 C LEU A 49 12.602 6.983 1.203 1.00 0.00 C ATOM 803 O LEU A 49 12.208 6.020 1.866 1.00 0.00 O ATOM 804 CB LEU A 49 14.909 6.935 0.235 1.00 0.00 C ATOM 805 CG LEU A 49 14.884 7.720 -1.081 1.00 0.00 C ATOM 806 CD1 LEU A 49 16.265 7.739 -1.719 1.00 0.00 C ATOM 807 CD2 LEU A 49 13.859 7.129 -2.041 1.00 0.00 C ATOM 0 H LEU A 49 14.727 6.168 2.809 1.00 0.00 H new ATOM 0 HA LEU A 49 14.001 8.591 1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.938 6.890 0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.596 5.910 0.034 1.00 0.00 H new ATOM 0 HG LEU A 49 14.593 8.747 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 49 16.227 8.301 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.973 8.212 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 49 16.585 6.717 -1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.857 7.701 -2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 49 14.116 6.092 -2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.869 7.171 -1.587 1.00 0.00 H new ATOM 819 N SER A 50 11.835 7.629 0.322 1.00 0.00 N ATOM 820 CA SER A 50 10.452 7.241 0.067 1.00 0.00 C ATOM 821 C SER A 50 10.267 6.812 -1.389 1.00 0.00 C ATOM 822 O SER A 50 10.586 7.562 -2.313 1.00 0.00 O ATOM 823 CB SER A 50 9.499 8.398 0.393 1.00 0.00 C ATOM 824 OG SER A 50 10.013 9.218 1.431 1.00 0.00 O ATOM 0 H SER A 50 12.153 8.427 -0.228 1.00 0.00 H new ATOM 0 HA SER A 50 10.217 6.395 0.713 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.337 9.000 -0.501 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.529 7.999 0.689 1.00 0.00 H new ATOM 0 HG SER A 50 9.384 9.947 1.614 1.00 0.00 H new ATOM 830 N ILE A 51 9.747 5.601 -1.580 1.00 0.00 N ATOM 831 CA ILE A 51 9.511 5.056 -2.915 1.00 0.00 C ATOM 832 C ILE A 51 8.016 4.881 -3.180 1.00 0.00 C ATOM 833 O ILE A 51 7.287 4.345 -2.345 1.00 0.00 O ATOM 834 CB ILE A 51 10.214 3.689 -3.097 1.00 0.00 C ATOM 835 CG1 ILE A 51 11.680 3.767 -2.652 1.00 0.00 C ATOM 836 CG2 ILE A 51 10.123 3.225 -4.546 1.00 0.00 C ATOM 837 CD1 ILE A 51 12.233 2.450 -2.150 1.00 0.00 C ATOM 0 H ILE A 51 9.479 4.975 -0.821 1.00 0.00 H new ATOM 0 HA ILE A 51 9.925 5.770 -3.627 1.00 0.00 H new ATOM 0 HB ILE A 51 9.703 2.960 -2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.287 4.111 -3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.772 4.514 -1.864 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.623 2.262 -4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.076 3.123 -4.830 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.605 3.958 -5.194 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.273 2.582 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.651 2.114 -1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.174 1.705 -2.943 1.00 0.00 H new ATOM 849 N LEU A 52 7.563 5.331 -4.351 1.00 0.00 N ATOM 850 CA LEU A 52 6.153 5.218 -4.723 1.00 0.00 C ATOM 851 C LEU A 52 5.919 3.986 -5.595 1.00 0.00 C ATOM 852 O LEU A 52 6.686 3.714 -6.520 1.00 0.00 O ATOM 853 CB LEU A 52 5.689 6.478 -5.461 1.00 0.00 C ATOM 854 CG LEU A 52 4.294 6.979 -5.074 1.00 0.00 C ATOM 855 CD1 LEU A 52 4.395 8.173 -4.136 1.00 0.00 C ATOM 856 CD2 LEU A 52 3.491 7.341 -6.316 1.00 0.00 C ATOM 0 H LEU A 52 8.151 5.776 -5.056 1.00 0.00 H new ATOM 0 HA LEU A 52 5.571 5.111 -3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.409 7.275 -5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.703 6.279 -6.533 1.00 0.00 H new ATOM 0 HG LEU A 52 3.774 6.176 -4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.394 8.514 -3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.929 7.881 -3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.935 8.980 -4.631 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.503 7.695 -6.020 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.008 8.127 -6.867 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.386 6.461 -6.951 1.00 0.00 H new ATOM 868 N LEU A 53 4.849 3.248 -5.295 1.00 0.00 N ATOM 869 CA LEU A 53 4.505 2.043 -6.049 1.00 0.00 C ATOM 870 C LEU A 53 3.482 2.364 -7.140 1.00 0.00 C ATOM 871 O LEU A 53 2.293 2.075 -6.995 1.00 0.00 O ATOM 872 CB LEU A 53 3.949 0.961 -5.111 1.00 0.00 C ATOM 873 CG LEU A 53 4.809 0.631 -3.884 1.00 0.00 C ATOM 874 CD1 LEU A 53 6.278 0.516 -4.264 1.00 0.00 C ATOM 875 CD2 LEU A 53 4.612 1.678 -2.794 1.00 0.00 C ATOM 0 H LEU A 53 4.205 3.465 -4.534 1.00 0.00 H new ATOM 0 HA LEU A 53 5.413 1.667 -6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.965 1.277 -4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.806 0.047 -5.687 1.00 0.00 H new ATOM 0 HG LEU A 53 4.487 -0.334 -3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.866 0.282 -3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.402 -0.277 -5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.620 1.461 -4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.230 1.427 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.901 2.658 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.564 1.699 -2.495 1.00 0.00 H new ATOM 887 N LYS A 54 3.953 2.972 -8.229 1.00 0.00 N ATOM 888 CA LYS A 54 3.077 3.340 -9.345 1.00 0.00 C ATOM 889 C LYS A 54 2.730 2.126 -10.209 1.00 0.00 C ATOM 890 O LYS A 54 1.617 2.028 -10.729 1.00 0.00 O ATOM 891 CB LYS A 54 3.727 4.427 -10.207 1.00 0.00 C ATOM 892 CG LYS A 54 5.037 3.999 -10.854 1.00 0.00 C ATOM 893 CD LYS A 54 5.692 5.150 -11.598 1.00 0.00 C ATOM 894 CE LYS A 54 7.200 5.159 -11.399 1.00 0.00 C ATOM 895 NZ LYS A 54 7.914 4.462 -12.505 1.00 0.00 N ATOM 0 H LYS A 54 4.933 3.220 -8.363 1.00 0.00 H new ATOM 0 HA LYS A 54 2.152 3.730 -8.919 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.027 4.724 -10.988 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.908 5.307 -9.590 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.717 3.625 -10.089 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.851 3.176 -11.545 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.465 5.073 -12.661 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.273 6.094 -11.250 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.551 6.189 -11.334 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.443 4.679 -10.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.939 4.492 -12.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.599 3.472 -12.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.703 4.935 -13.407 1.00 0.00 H new ATOM 909 N ASN A 55 3.685 1.209 -10.360 1.00 0.00 N ATOM 910 CA ASN A 55 3.480 0.006 -11.161 1.00 0.00 C ATOM 911 C ASN A 55 3.729 -1.252 -10.335 1.00 0.00 C ATOM 912 O ASN A 55 4.324 -1.189 -9.257 1.00 0.00 O ATOM 913 CB ASN A 55 4.410 0.011 -12.379 1.00 0.00 C ATOM 914 CG ASN A 55 3.987 1.015 -13.435 1.00 0.00 C ATOM 915 OD1 ASN A 55 2.919 0.889 -14.035 1.00 0.00 O ATOM 916 ND2 ASN A 55 4.825 2.019 -13.672 1.00 0.00 N ATOM 0 H ASN A 55 4.610 1.278 -9.936 1.00 0.00 H new ATOM 0 HA ASN A 55 2.443 0.003 -11.497 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.426 0.237 -12.054 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.431 -0.986 -12.819 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.593 2.722 -14.374 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.700 2.086 -13.152 1.00 0.00 H new ATOM 923 N GLN A 56 3.281 -2.396 -10.855 1.00 0.00 N ATOM 924 CA GLN A 56 3.469 -3.676 -10.171 1.00 0.00 C ATOM 925 C GLN A 56 4.955 -3.971 -9.970 1.00 0.00 C ATOM 926 O GLN A 56 5.347 -4.539 -8.954 1.00 0.00 O ATOM 927 CB GLN A 56 2.817 -4.815 -10.959 1.00 0.00 C ATOM 928 CG GLN A 56 2.270 -5.925 -10.075 1.00 0.00 C ATOM 929 CD GLN A 56 3.221 -7.102 -9.939 1.00 0.00 C ATOM 930 OE1 GLN A 56 4.381 -7.034 -10.348 1.00 0.00 O ATOM 931 NE2 GLN A 56 2.728 -8.193 -9.365 1.00 0.00 N ATOM 0 H GLN A 56 2.787 -2.462 -11.745 1.00 0.00 H new ATOM 0 HA GLN A 56 2.989 -3.604 -9.195 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.006 -4.410 -11.565 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.549 -5.236 -11.647 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.057 -5.521 -9.085 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.324 -6.276 -10.486 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.761 -8.206 -9.041 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.316 -9.018 -9.248 1.00 0.00 H new ATOM 940 N ASP A 57 5.771 -3.575 -10.951 1.00 0.00 N ATOM 941 CA ASP A 57 7.220 -3.785 -10.899 1.00 0.00 C ATOM 942 C ASP A 57 7.807 -3.216 -9.610 1.00 0.00 C ATOM 943 O ASP A 57 8.554 -3.895 -8.906 1.00 0.00 O ATOM 944 CB ASP A 57 7.900 -3.126 -12.107 1.00 0.00 C ATOM 945 CG ASP A 57 7.478 -3.736 -13.433 1.00 0.00 C ATOM 946 OD1 ASP A 57 6.271 -3.684 -13.758 1.00 0.00 O ATOM 947 OD2 ASP A 57 8.358 -4.255 -14.151 1.00 0.00 O ATOM 0 H ASP A 57 5.449 -3.104 -11.797 1.00 0.00 H new ATOM 0 HA ASP A 57 7.403 -4.859 -10.924 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.666 -2.061 -12.112 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.981 -3.214 -12.001 1.00 0.00 H new ATOM 952 N ASP A 58 7.460 -1.963 -9.311 1.00 0.00 N ATOM 953 CA ASP A 58 7.947 -1.291 -8.108 1.00 0.00 C ATOM 954 C ASP A 58 7.540 -2.053 -6.848 1.00 0.00 C ATOM 955 O ASP A 58 8.357 -2.269 -5.953 1.00 0.00 O ATOM 956 CB ASP A 58 7.415 0.145 -8.045 1.00 0.00 C ATOM 957 CG ASP A 58 8.406 1.096 -7.407 1.00 0.00 C ATOM 958 OD1 ASP A 58 8.701 0.929 -6.207 1.00 0.00 O ATOM 959 OD2 ASP A 58 8.890 2.009 -8.110 1.00 0.00 O ATOM 0 H ASP A 58 6.842 -1.393 -9.888 1.00 0.00 H new ATOM 0 HA ASP A 58 9.036 -1.266 -8.157 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.182 0.489 -9.053 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.483 0.161 -7.479 1.00 0.00 H new ATOM 964 N LEU A 59 6.272 -2.460 -6.792 1.00 0.00 N ATOM 965 CA LEU A 59 5.749 -3.207 -5.651 1.00 0.00 C ATOM 966 C LEU A 59 6.407 -4.584 -5.553 1.00 0.00 C ATOM 967 O LEU A 59 6.749 -5.041 -4.462 1.00 0.00 O ATOM 968 CB LEU A 59 4.233 -3.367 -5.787 1.00 0.00 C ATOM 969 CG LEU A 59 3.528 -3.990 -4.581 1.00 0.00 C ATOM 970 CD1 LEU A 59 3.110 -2.913 -3.592 1.00 0.00 C ATOM 971 CD2 LEU A 59 2.324 -4.802 -5.035 1.00 0.00 C ATOM 0 H LEU A 59 5.587 -2.284 -7.527 1.00 0.00 H new ATOM 0 HA LEU A 59 5.977 -2.650 -4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.797 -2.386 -5.975 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.027 -3.981 -6.664 1.00 0.00 H new ATOM 0 HG LEU A 59 4.225 -4.660 -4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.610 -3.375 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.992 -2.374 -3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.428 -2.217 -4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.832 -5.240 -4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.624 -4.152 -5.560 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.653 -5.597 -5.705 1.00 0.00 H new ATOM 983 N ASP A 60 6.574 -5.238 -6.705 1.00 0.00 N ATOM 984 CA ASP A 60 7.182 -6.568 -6.761 1.00 0.00 C ATOM 985 C ASP A 60 8.651 -6.526 -6.352 1.00 0.00 C ATOM 986 O ASP A 60 9.118 -7.393 -5.612 1.00 0.00 O ATOM 987 CB ASP A 60 7.041 -7.166 -8.166 1.00 0.00 C ATOM 988 CG ASP A 60 7.068 -8.687 -8.163 1.00 0.00 C ATOM 989 OD1 ASP A 60 6.551 -9.295 -7.200 1.00 0.00 O ATOM 990 OD2 ASP A 60 7.606 -9.268 -9.129 1.00 0.00 O ATOM 0 H ASP A 60 6.296 -4.866 -7.613 1.00 0.00 H new ATOM 0 HA ASP A 60 6.652 -7.204 -6.052 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.106 -6.824 -8.609 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.848 -6.794 -8.797 1.00 0.00 H new ATOM 995 N LYS A 61 9.373 -5.511 -6.829 1.00 0.00 N ATOM 996 CA LYS A 61 10.788 -5.359 -6.499 1.00 0.00 C ATOM 997 C LYS A 61 10.966 -5.147 -4.996 1.00 0.00 C ATOM 998 O LYS A 61 11.928 -5.638 -4.404 1.00 0.00 O ATOM 999 CB LYS A 61 11.397 -4.180 -7.264 1.00 0.00 C ATOM 1000 CG LYS A 61 12.687 -4.527 -7.988 1.00 0.00 C ATOM 1001 CD LYS A 61 13.867 -4.602 -7.030 1.00 0.00 C ATOM 1002 CE LYS A 61 14.948 -5.537 -7.550 1.00 0.00 C ATOM 1003 NZ LYS A 61 15.578 -5.026 -8.803 1.00 0.00 N ATOM 0 H LYS A 61 9.002 -4.785 -7.442 1.00 0.00 H new ATOM 0 HA LYS A 61 11.304 -6.273 -6.792 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.670 -3.814 -7.989 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.590 -3.365 -6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 61 12.572 -5.483 -8.499 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.887 -3.778 -8.754 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.285 -3.605 -6.887 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.524 -4.947 -6.055 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.714 -5.665 -6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.517 -6.521 -7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.308 -5.694 -9.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.852 -4.928 -9.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.013 -4.099 -8.620 1.00 0.00 H new ATOM 1017 N ALA A 62 10.028 -4.418 -4.388 1.00 0.00 N ATOM 1018 CA ALA A 62 10.072 -4.146 -2.954 1.00 0.00 C ATOM 1019 C ALA A 62 9.941 -5.434 -2.143 1.00 0.00 C ATOM 1020 O ALA A 62 10.609 -5.603 -1.122 1.00 0.00 O ATOM 1021 CB ALA A 62 8.978 -3.162 -2.568 1.00 0.00 C ATOM 0 H ALA A 62 9.229 -4.006 -4.869 1.00 0.00 H new ATOM 0 HA ALA A 62 11.041 -3.702 -2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.024 -2.969 -1.496 1.00 0.00 H new ATOM 0 HB2 ALA A 62 9.121 -2.228 -3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.005 -3.583 -2.820 1.00 0.00 H new ATOM 1027 N ILE A 63 9.079 -6.342 -2.606 1.00 0.00 N ATOM 1028 CA ILE A 63 8.871 -7.616 -1.922 1.00 0.00 C ATOM 1029 C ILE A 63 10.144 -8.459 -1.947 1.00 0.00 C ATOM 1030 O ILE A 63 10.514 -9.063 -0.938 1.00 0.00 O ATOM 1031 CB ILE A 63 7.716 -8.428 -2.551 1.00 0.00 C ATOM 1032 CG1 ILE A 63 6.446 -7.575 -2.647 1.00 0.00 C ATOM 1033 CG2 ILE A 63 7.451 -9.688 -1.736 1.00 0.00 C ATOM 1034 CD1 ILE A 63 5.585 -7.899 -3.850 1.00 0.00 C ATOM 0 H ILE A 63 8.517 -6.218 -3.448 1.00 0.00 H new ATOM 0 HA ILE A 63 8.607 -7.379 -0.892 1.00 0.00 H new ATOM 0 HB ILE A 63 8.009 -8.720 -3.559 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.856 -7.714 -1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.728 -6.523 -2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.635 -10.250 -2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.350 -10.304 -1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.178 -9.412 -0.717 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.705 -7.256 -3.851 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.157 -7.732 -4.763 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.272 -8.942 -3.803 1.00 0.00 H new ATOM 1046 N ASP A 64 10.812 -8.488 -3.102 1.00 0.00 N ATOM 1047 CA ASP A 64 12.048 -9.252 -3.260 1.00 0.00 C ATOM 1048 C ASP A 64 13.078 -8.848 -2.207 1.00 0.00 C ATOM 1049 O ASP A 64 13.812 -9.692 -1.688 1.00 0.00 O ATOM 1050 CB ASP A 64 12.629 -9.047 -4.663 1.00 0.00 C ATOM 1051 CG ASP A 64 12.140 -10.087 -5.654 1.00 0.00 C ATOM 1052 OD1 ASP A 64 10.913 -10.312 -5.725 1.00 0.00 O ATOM 1053 OD2 ASP A 64 12.985 -10.674 -6.362 1.00 0.00 O ATOM 0 H ASP A 64 10.516 -7.990 -3.942 1.00 0.00 H new ATOM 0 HA ASP A 64 11.810 -10.307 -3.125 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.360 -8.054 -5.022 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.717 -9.083 -4.611 1.00 0.00 H new ATOM 1058 N ILE A 65 13.124 -7.553 -1.891 1.00 0.00 N ATOM 1059 CA ILE A 65 14.059 -7.040 -0.894 1.00 0.00 C ATOM 1060 C ILE A 65 13.727 -7.585 0.496 1.00 0.00 C ATOM 1061 O ILE A 65 14.625 -7.959 1.252 1.00 0.00 O ATOM 1062 CB ILE A 65 14.058 -5.496 -0.850 1.00 0.00 C ATOM 1063 CG1 ILE A 65 14.251 -4.917 -2.257 1.00 0.00 C ATOM 1064 CG2 ILE A 65 15.149 -4.995 0.087 1.00 0.00 C ATOM 1065 CD1 ILE A 65 13.567 -3.582 -2.462 1.00 0.00 C ATOM 0 H ILE A 65 12.525 -6.843 -2.311 1.00 0.00 H new ATOM 0 HA ILE A 65 15.053 -7.378 -1.189 1.00 0.00 H new ATOM 0 HB ILE A 65 13.093 -5.160 -0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 65 15.318 -4.803 -2.451 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.868 -5.628 -2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.138 -3.905 0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 65 14.971 -5.380 1.091 1.00 0.00 H new ATOM 0 HG23 ILE A 65 16.120 -5.341 -0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 65 13.746 -3.234 -3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 65 12.495 -3.694 -2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 65 13.967 -2.856 -1.754 1.00 0.00 H new ATOM 1077 N LEU A 66 12.434 -7.633 0.824 1.00 0.00 N ATOM 1078 CA LEU A 66 11.990 -8.143 2.120 1.00 0.00 C ATOM 1079 C LEU A 66 12.395 -9.607 2.297 1.00 0.00 C ATOM 1080 O LEU A 66 12.879 -9.996 3.358 1.00 0.00 O ATOM 1081 CB LEU A 66 10.472 -7.998 2.263 1.00 0.00 C ATOM 1082 CG LEU A 66 9.912 -8.341 3.647 1.00 0.00 C ATOM 1083 CD1 LEU A 66 8.855 -7.329 4.063 1.00 0.00 C ATOM 1084 CD2 LEU A 66 9.338 -9.753 3.659 1.00 0.00 C ATOM 0 H LEU A 66 11.679 -7.325 0.211 1.00 0.00 H new ATOM 0 HA LEU A 66 12.475 -7.553 2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.197 -6.971 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.991 -8.639 1.525 1.00 0.00 H new ATOM 0 HG LEU A 66 10.729 -8.298 4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.469 -7.590 5.049 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.298 -6.334 4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.039 -7.337 3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.945 -9.978 4.651 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.535 -9.826 2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.123 -10.467 3.409 1.00 0.00 H new ATOM 1096 N ASP A 67 12.197 -10.412 1.249 1.00 0.00 N ATOM 1097 CA ASP A 67 12.550 -11.833 1.292 1.00 0.00 C ATOM 1098 C ASP A 67 14.059 -12.020 1.441 1.00 0.00 C ATOM 1099 O ASP A 67 14.514 -12.961 2.093 1.00 0.00 O ATOM 1100 CB ASP A 67 12.059 -12.547 0.029 1.00 0.00 C ATOM 1101 CG ASP A 67 11.495 -13.924 0.326 1.00 0.00 C ATOM 1102 OD1 ASP A 67 12.291 -14.845 0.607 1.00 0.00 O ATOM 1103 OD2 ASP A 67 10.257 -14.083 0.278 1.00 0.00 O ATOM 0 H ASP A 67 11.795 -10.105 0.363 1.00 0.00 H new ATOM 0 HA ASP A 67 12.060 -12.272 2.161 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.293 -11.940 -0.454 1.00 0.00 H new ATOM 0 HB3 ASP A 67 12.884 -12.640 -0.677 1.00 0.00 H new ATOM 1108 N ARG A 68 14.829 -11.117 0.832 1.00 0.00 N ATOM 1109 CA ARG A 68 16.289 -11.174 0.898 1.00 0.00 C ATOM 1110 C ARG A 68 16.795 -10.901 2.316 1.00 0.00 C ATOM 1111 O ARG A 68 17.819 -11.444 2.730 1.00 0.00 O ATOM 1112 CB ARG A 68 16.901 -10.155 -0.068 1.00 0.00 C ATOM 1113 CG ARG A 68 18.154 -10.649 -0.771 1.00 0.00 C ATOM 1114 CD ARG A 68 18.291 -10.034 -2.154 1.00 0.00 C ATOM 1115 NE ARG A 68 19.234 -10.773 -2.993 1.00 0.00 N ATOM 1116 CZ ARG A 68 18.954 -11.937 -3.586 1.00 0.00 C ATOM 1117 NH1 ARG A 68 17.761 -12.510 -3.426 1.00 0.00 N ATOM 1118 NH2 ARG A 68 19.873 -12.534 -4.341 1.00 0.00 N ATOM 0 H ARG A 68 14.464 -10.336 0.287 1.00 0.00 H new ATOM 0 HA ARG A 68 16.595 -12.180 0.612 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.157 -9.888 -0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.140 -9.245 0.482 1.00 0.00 H new ATOM 0 HG2 ARG A 68 19.031 -10.402 -0.172 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.122 -11.735 -0.855 1.00 0.00 H new ATOM 0 HD2 ARG A 68 17.315 -10.012 -2.639 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.623 -9.000 -2.059 1.00 0.00 H new ATOM 0 HE ARG A 68 20.163 -10.375 -3.134 1.00 0.00 H new ATOM 0 HH11 ARG A 68 17.052 -12.060 -2.847 1.00 0.00 H new ATOM 0 HH12 ARG A 68 17.557 -13.399 -3.883 1.00 0.00 H new ATOM 0 HH21 ARG A 68 20.789 -12.103 -4.466 1.00 0.00 H new ATOM 0 HH22 ARG A 68 19.661 -13.423 -4.795 1.00 0.00 H new ATOM 1132 N SER A 69 16.075 -10.053 3.053 1.00 0.00 N ATOM 1133 CA SER A 69 16.455 -9.706 4.420 1.00 0.00 C ATOM 1134 C SER A 69 15.572 -10.424 5.441 1.00 0.00 C ATOM 1135 O SER A 69 14.393 -10.100 5.590 1.00 0.00 O ATOM 1136 CB SER A 69 16.367 -8.190 4.622 1.00 0.00 C ATOM 1137 OG SER A 69 16.874 -7.812 5.888 1.00 0.00 O ATOM 0 H SER A 69 15.225 -9.595 2.724 1.00 0.00 H new ATOM 0 HA SER A 69 17.484 -10.031 4.577 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.927 -7.683 3.837 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.330 -7.868 4.532 1.00 0.00 H new ATOM 0 HG SER A 69 16.807 -6.840 5.990 1.00 0.00 H new ATOM 1143 N SER A 70 16.149 -11.397 6.146 1.00 0.00 N ATOM 1144 CA SER A 70 15.415 -12.162 7.159 1.00 0.00 C ATOM 1145 C SER A 70 15.251 -11.376 8.469 1.00 0.00 C ATOM 1146 O SER A 70 14.516 -11.807 9.360 1.00 0.00 O ATOM 1147 CB SER A 70 16.124 -13.494 7.435 1.00 0.00 C ATOM 1148 OG SER A 70 15.445 -14.253 8.427 1.00 0.00 O ATOM 0 H SER A 70 17.124 -11.676 6.035 1.00 0.00 H new ATOM 0 HA SER A 70 14.418 -12.354 6.761 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.186 -14.072 6.513 1.00 0.00 H new ATOM 0 HB3 SER A 70 17.147 -13.302 7.760 1.00 0.00 H new ATOM 0 HG SER A 70 14.871 -13.661 8.957 1.00 0.00 H new ATOM 1154 N SER A 71 15.931 -10.228 8.591 1.00 0.00 N ATOM 1155 CA SER A 71 15.841 -9.415 9.806 1.00 0.00 C ATOM 1156 C SER A 71 14.697 -8.393 9.721 1.00 0.00 C ATOM 1157 O SER A 71 14.852 -7.238 10.124 1.00 0.00 O ATOM 1158 CB SER A 71 17.185 -8.713 10.074 1.00 0.00 C ATOM 1159 OG SER A 71 17.402 -7.605 9.205 1.00 0.00 O ATOM 0 H SER A 71 16.543 -9.846 7.870 1.00 0.00 H new ATOM 0 HA SER A 71 15.618 -10.080 10.641 1.00 0.00 H new ATOM 0 HB2 SER A 71 17.213 -8.371 11.109 1.00 0.00 H new ATOM 0 HB3 SER A 71 17.997 -9.430 9.953 1.00 0.00 H new ATOM 0 HG SER A 71 16.652 -6.978 9.280 1.00 0.00 H new ATOM 1165 N MET A 72 13.545 -8.828 9.207 1.00 0.00 N ATOM 1166 CA MET A 72 12.381 -7.959 9.076 1.00 0.00 C ATOM 1167 C MET A 72 11.100 -8.708 9.460 1.00 0.00 C ATOM 1168 O MET A 72 11.161 -9.847 9.930 1.00 0.00 O ATOM 1169 CB MET A 72 12.283 -7.433 7.641 1.00 0.00 C ATOM 1170 CG MET A 72 11.866 -5.975 7.559 1.00 0.00 C ATOM 1171 SD MET A 72 13.272 -4.867 7.337 1.00 0.00 S ATOM 1172 CE MET A 72 13.683 -4.490 9.040 1.00 0.00 C ATOM 0 H MET A 72 13.396 -9.781 8.875 1.00 0.00 H new ATOM 0 HA MET A 72 12.497 -7.115 9.756 1.00 0.00 H new ATOM 0 HB2 MET A 72 13.249 -7.555 7.151 1.00 0.00 H new ATOM 0 HB3 MET A 72 11.566 -8.040 7.088 1.00 0.00 H new ATOM 0 HG2 MET A 72 11.171 -5.845 6.730 1.00 0.00 H new ATOM 0 HG3 MET A 72 11.332 -5.701 8.469 1.00 0.00 H new ATOM 0 HE1 MET A 72 13.703 -3.409 9.179 1.00 0.00 H new ATOM 0 HE2 MET A 72 12.934 -4.927 9.700 1.00 0.00 H new ATOM 0 HE3 MET A 72 14.663 -4.904 9.278 1.00 0.00 H new ATOM 1182 N LYS A 73 9.944 -8.067 9.260 1.00 0.00 N ATOM 1183 CA LYS A 73 8.657 -8.683 9.585 1.00 0.00 C ATOM 1184 C LYS A 73 7.677 -8.555 8.417 1.00 0.00 C ATOM 1185 O LYS A 73 7.328 -9.548 7.779 1.00 0.00 O ATOM 1186 CB LYS A 73 8.056 -8.042 10.843 1.00 0.00 C ATOM 1187 CG LYS A 73 8.880 -8.259 12.102 1.00 0.00 C ATOM 1188 CD LYS A 73 8.486 -7.277 13.195 1.00 0.00 C ATOM 1189 CE LYS A 73 9.705 -6.687 13.887 1.00 0.00 C ATOM 1190 NZ LYS A 73 10.074 -7.446 15.117 1.00 0.00 N ATOM 0 H LYS A 73 9.875 -7.125 8.876 1.00 0.00 H new ATOM 0 HA LYS A 73 8.832 -9.742 9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.944 -6.971 10.674 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.056 -8.446 11.002 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.741 -9.279 12.459 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.939 -8.144 11.871 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.888 -6.474 12.764 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.859 -7.782 13.930 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.548 -6.685 13.196 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.505 -5.648 14.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.909 -7.010 15.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.280 -7.427 15.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.290 -8.432 14.865 1.00 0.00 H new ATOM 1204 N SER A 74 7.232 -7.326 8.147 1.00 0.00 N ATOM 1205 CA SER A 74 6.287 -7.067 7.062 1.00 0.00 C ATOM 1206 C SER A 74 6.769 -5.916 6.176 1.00 0.00 C ATOM 1207 O SER A 74 7.883 -5.416 6.347 1.00 0.00 O ATOM 1208 CB SER A 74 4.901 -6.740 7.636 1.00 0.00 C ATOM 1209 OG SER A 74 4.718 -7.318 8.918 1.00 0.00 O ATOM 0 H SER A 74 7.512 -6.494 8.667 1.00 0.00 H new ATOM 0 HA SER A 74 6.220 -7.966 6.449 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.780 -5.659 7.703 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.130 -7.106 6.958 1.00 0.00 H new ATOM 0 HG SER A 74 3.827 -7.089 9.256 1.00 0.00 H new ATOM 1215 N LEU A 75 5.920 -5.491 5.236 1.00 0.00 N ATOM 1216 CA LEU A 75 6.264 -4.391 4.334 1.00 0.00 C ATOM 1217 C LEU A 75 5.788 -3.057 4.912 1.00 0.00 C ATOM 1218 O LEU A 75 4.596 -2.876 5.170 1.00 0.00 O ATOM 1219 CB LEU A 75 5.640 -4.608 2.949 1.00 0.00 C ATOM 1220 CG LEU A 75 6.483 -5.437 1.974 1.00 0.00 C ATOM 1221 CD1 LEU A 75 6.078 -6.904 2.027 1.00 0.00 C ATOM 1222 CD2 LEU A 75 6.345 -4.894 0.556 1.00 0.00 C ATOM 0 H LEU A 75 4.994 -5.890 5.081 1.00 0.00 H new ATOM 0 HA LEU A 75 7.349 -4.367 4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.675 -5.098 3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.446 -3.634 2.499 1.00 0.00 H new ATOM 0 HG LEU A 75 7.528 -5.361 2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.688 -7.475 1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.228 -7.287 3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.027 -7.001 1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.950 -5.494 -0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.300 -4.940 0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.686 -3.859 0.528 1.00 0.00 H new ATOM 1234 N ARG A 76 6.726 -2.129 5.114 1.00 0.00 N ATOM 1235 CA ARG A 76 6.403 -0.812 5.662 1.00 0.00 C ATOM 1236 C ARG A 76 5.764 0.079 4.592 1.00 0.00 C ATOM 1237 O ARG A 76 6.430 0.926 3.989 1.00 0.00 O ATOM 1238 CB ARG A 76 7.664 -0.150 6.233 1.00 0.00 C ATOM 1239 CG ARG A 76 7.426 1.232 6.828 1.00 0.00 C ATOM 1240 CD ARG A 76 6.350 1.213 7.908 1.00 0.00 C ATOM 1241 NE ARG A 76 6.669 2.112 9.018 1.00 0.00 N ATOM 1242 CZ ARG A 76 7.535 1.817 9.994 1.00 0.00 C ATOM 1243 NH1 ARG A 76 8.188 0.657 9.991 1.00 0.00 N ATOM 1244 NH2 ARG A 76 7.753 2.692 10.972 1.00 0.00 N ATOM 0 H ARG A 76 7.715 -2.266 4.906 1.00 0.00 H new ATOM 0 HA ARG A 76 5.682 -0.942 6.469 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.085 -0.797 7.002 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.409 -0.070 5.442 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.357 1.610 7.251 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.133 1.922 6.036 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.394 1.501 7.472 1.00 0.00 H new ATOM 0 HD3 ARG A 76 6.234 0.197 8.286 1.00 0.00 H new ATOM 0 HE ARG A 76 6.203 3.019 9.049 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.030 -0.015 9.240 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.847 0.441 10.739 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.260 3.585 10.976 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.413 2.470 11.717 1.00 0.00 H new ATOM 1258 N ILE A 77 4.468 -0.123 4.363 1.00 0.00 N ATOM 1259 CA ILE A 77 3.730 0.653 3.371 1.00 0.00 C ATOM 1260 C ILE A 77 2.854 1.702 4.048 1.00 0.00 C ATOM 1261 O ILE A 77 2.013 1.374 4.887 1.00 0.00 O ATOM 1262 CB ILE A 77 2.839 -0.251 2.490 1.00 0.00 C ATOM 1263 CG1 ILE A 77 3.635 -1.450 1.964 1.00 0.00 C ATOM 1264 CG2 ILE A 77 2.246 0.546 1.334 1.00 0.00 C ATOM 1265 CD1 ILE A 77 2.767 -2.538 1.374 1.00 0.00 C ATOM 0 H ILE A 77 3.907 -0.820 4.853 1.00 0.00 H new ATOM 0 HA ILE A 77 4.469 1.144 2.738 1.00 0.00 H new ATOM 0 HB ILE A 77 2.021 -0.627 3.105 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.337 -1.105 1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.226 -1.869 2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.622 -0.107 0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.641 1.363 1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.051 0.953 0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.397 -3.355 1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.082 -2.910 2.136 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.195 -2.134 0.538 1.00 0.00 H new ATOM 1277 N LEU A 78 3.057 2.965 3.677 1.00 0.00 N ATOM 1278 CA LEU A 78 2.286 4.065 4.244 1.00 0.00 C ATOM 1279 C LEU A 78 1.220 4.543 3.262 1.00 0.00 C ATOM 1280 O LEU A 78 1.539 5.029 2.175 1.00 0.00 O ATOM 1281 CB LEU A 78 3.217 5.229 4.609 1.00 0.00 C ATOM 1282 CG LEU A 78 3.971 5.082 5.938 1.00 0.00 C ATOM 1283 CD1 LEU A 78 3.002 4.829 7.082 1.00 0.00 C ATOM 1284 CD2 LEU A 78 5.005 3.967 5.853 1.00 0.00 C ATOM 0 H LEU A 78 3.750 3.250 2.985 1.00 0.00 H new ATOM 0 HA LEU A 78 1.790 3.705 5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.947 5.352 3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.627 6.145 4.646 1.00 0.00 H new ATOM 0 HG LEU A 78 4.495 6.017 6.135 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.558 4.728 8.014 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.308 5.665 7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.445 3.912 6.891 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.527 3.881 6.806 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.506 3.025 5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.723 4.196 5.066 1.00 0.00 H new ATOM 1296 N LEU A 79 -0.048 4.410 3.654 1.00 0.00 N ATOM 1297 CA LEU A 79 -1.159 4.836 2.806 1.00 0.00 C ATOM 1298 C LEU A 79 -1.773 6.130 3.336 1.00 0.00 C ATOM 1299 O LEU A 79 -2.119 6.227 4.516 1.00 0.00 O ATOM 1300 CB LEU A 79 -2.226 3.738 2.703 1.00 0.00 C ATOM 1301 CG LEU A 79 -2.930 3.374 4.013 1.00 0.00 C ATOM 1302 CD1 LEU A 79 -4.326 3.976 4.055 1.00 0.00 C ATOM 1303 CD2 LEU A 79 -2.992 1.864 4.184 1.00 0.00 C ATOM 0 H LEU A 79 -0.329 4.012 4.550 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.767 5.022 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.980 4.055 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.759 2.839 2.301 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.354 3.789 4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.810 3.706 4.993 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.257 5.061 3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.913 3.592 3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.496 1.624 5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.544 1.426 3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.981 1.458 4.202 1.00 0.00 H new ATOM 1315 N LEU A 80 -1.894 7.122 2.459 1.00 0.00 N ATOM 1316 CA LEU A 80 -2.455 8.417 2.836 1.00 0.00 C ATOM 1317 C LEU A 80 -3.701 8.735 2.018 1.00 0.00 C ATOM 1318 O LEU A 80 -3.676 8.685 0.786 1.00 0.00 O ATOM 1319 CB LEU A 80 -1.409 9.520 2.650 1.00 0.00 C ATOM 1320 CG LEU A 80 -0.144 9.365 3.501 1.00 0.00 C ATOM 1321 CD1 LEU A 80 0.859 8.450 2.811 1.00 0.00 C ATOM 1322 CD2 LEU A 80 0.479 10.725 3.787 1.00 0.00 C ATOM 0 H LEU A 80 -1.611 7.055 1.481 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.741 8.368 3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.120 9.552 1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.870 10.480 2.883 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.424 8.910 4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.750 8.353 3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.412 7.467 2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.134 8.874 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.376 10.594 4.392 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.743 11.209 2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.236 11.346 4.327 1.00 0.00 H new ATOM 1334 N SER A 81 -4.789 9.069 2.711 1.00 0.00 N ATOM 1335 CA SER A 81 -6.049 9.406 2.053 1.00 0.00 C ATOM 1336 C SER A 81 -6.220 10.917 1.942 1.00 0.00 C ATOM 1337 O SER A 81 -6.054 11.643 2.924 1.00 0.00 O ATOM 1338 CB SER A 81 -7.233 8.808 2.820 1.00 0.00 C ATOM 1339 OG SER A 81 -8.301 8.492 1.946 1.00 0.00 O ATOM 0 H SER A 81 -4.822 9.113 3.729 1.00 0.00 H new ATOM 0 HA SER A 81 -6.023 8.983 1.049 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.912 7.909 3.347 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.575 9.515 3.576 1.00 0.00 H new ATOM 0 HG SER A 81 -9.043 8.111 2.460 1.00 0.00 H new ATOM 1345 N GLN A 82 -6.565 11.381 0.742 1.00 0.00 N ATOM 1346 CA GLN A 82 -6.777 12.811 0.498 1.00 0.00 C ATOM 1347 C GLN A 82 -8.233 13.211 0.741 1.00 0.00 C ATOM 1348 O GLN A 82 -8.623 14.354 0.490 1.00 0.00 O ATOM 1349 CB GLN A 82 -6.345 13.195 -0.924 1.00 0.00 C ATOM 1350 CG GLN A 82 -7.263 12.661 -2.017 1.00 0.00 C ATOM 1351 CD GLN A 82 -6.516 11.860 -3.069 1.00 0.00 C ATOM 1352 OE1 GLN A 82 -6.647 12.114 -4.266 1.00 0.00 O ATOM 1353 NE2 GLN A 82 -5.728 10.886 -2.627 1.00 0.00 N ATOM 0 H GLN A 82 -6.704 10.790 -0.077 1.00 0.00 H new ATOM 0 HA GLN A 82 -6.156 13.358 1.207 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -6.302 14.282 -0.999 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.335 12.824 -1.099 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -8.032 12.033 -1.566 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -7.774 13.496 -2.497 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.648 10.709 -1.626 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -5.203 10.315 -3.289 1.00 0.00 H new ATOM 1362 N ASP A 83 -9.026 12.264 1.225 1.00 0.00 N ATOM 1363 CA ASP A 83 -10.436 12.501 1.500 1.00 0.00 C ATOM 1364 C ASP A 83 -10.700 12.499 3.002 1.00 0.00 C ATOM 1365 O ASP A 83 -10.324 11.557 3.703 1.00 0.00 O ATOM 1366 CB ASP A 83 -11.292 11.432 0.815 1.00 0.00 C ATOM 1367 CG ASP A 83 -11.773 11.865 -0.554 1.00 0.00 C ATOM 1368 OD1 ASP A 83 -10.962 11.849 -1.503 1.00 0.00 O ATOM 1369 OD2 ASP A 83 -12.965 12.223 -0.680 1.00 0.00 O ATOM 0 H ASP A 83 -8.712 11.317 1.437 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.704 13.480 1.104 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.713 10.513 0.720 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.153 11.202 1.443 1.00 0.00 H new ATOM 1374 N ARG A 84 -11.347 13.556 3.493 1.00 0.00 N ATOM 1375 CA ARG A 84 -11.659 13.671 4.915 1.00 0.00 C ATOM 1376 C ARG A 84 -13.152 13.463 5.163 1.00 0.00 C ATOM 1377 O ARG A 84 -13.940 14.410 5.108 1.00 0.00 O ATOM 1378 CB ARG A 84 -11.213 15.036 5.452 1.00 0.00 C ATOM 1379 CG ARG A 84 -9.891 14.990 6.204 1.00 0.00 C ATOM 1380 CD ARG A 84 -10.050 15.468 7.640 1.00 0.00 C ATOM 1381 NE ARG A 84 -8.833 16.102 8.149 1.00 0.00 N ATOM 1382 CZ ARG A 84 -8.626 16.401 9.436 1.00 0.00 C ATOM 1383 NH1 ARG A 84 -9.549 16.125 10.354 1.00 0.00 N ATOM 1384 NH2 ARG A 84 -7.487 16.980 9.806 1.00 0.00 N ATOM 0 H ARG A 84 -11.664 14.343 2.927 1.00 0.00 H new ATOM 0 HA ARG A 84 -11.114 12.892 5.447 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -11.124 15.734 4.619 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -11.985 15.427 6.114 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.504 13.971 6.199 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.158 15.612 5.691 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.877 16.176 7.696 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.310 14.622 8.276 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.097 16.330 7.481 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.425 15.681 10.079 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.380 16.357 11.333 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.774 17.195 9.109 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.327 17.209 10.787 1.00 0.00 H new ATOM 1398 N ASN A 85 -13.529 12.214 5.440 1.00 0.00 N ATOM 1399 CA ASN A 85 -14.925 11.868 5.703 1.00 0.00 C ATOM 1400 C ASN A 85 -15.063 11.147 7.044 1.00 0.00 C ATOM 1401 O ASN A 85 -14.080 10.970 7.766 1.00 0.00 O ATOM 1402 CB ASN A 85 -15.477 10.992 4.569 1.00 0.00 C ATOM 1403 CG ASN A 85 -15.938 11.803 3.367 1.00 0.00 C ATOM 1404 OD1 ASN A 85 -16.117 13.018 3.452 1.00 0.00 O ATOM 1405 ND2 ASN A 85 -16.140 11.130 2.238 1.00 0.00 N ATOM 0 H ASN A 85 -12.885 11.424 5.488 1.00 0.00 H new ATOM 0 HA ASN A 85 -15.504 12.791 5.750 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -14.707 10.288 4.253 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -16.313 10.402 4.946 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -16.455 11.621 1.401 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -15.980 10.123 2.209 1.00 0.00 H new ATOM 1412 N LEU A 86 -16.293 10.739 7.376 1.00 0.00 N ATOM 1413 CA LEU A 86 -16.575 10.044 8.633 1.00 0.00 C ATOM 1414 C LEU A 86 -16.309 10.957 9.833 1.00 0.00 C ATOM 1415 O LEU A 86 -15.649 10.564 10.797 1.00 0.00 O ATOM 1416 CB LEU A 86 -15.741 8.761 8.743 1.00 0.00 C ATOM 1417 CG LEU A 86 -16.505 7.530 9.239 1.00 0.00 C ATOM 1418 CD1 LEU A 86 -15.696 6.267 8.990 1.00 0.00 C ATOM 1419 CD2 LEU A 86 -16.844 7.668 10.719 1.00 0.00 C ATOM 0 H LEU A 86 -17.113 10.880 6.786 1.00 0.00 H new ATOM 0 HA LEU A 86 -17.630 9.772 8.637 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -15.317 8.536 7.764 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -14.905 8.946 9.417 1.00 0.00 H new ATOM 0 HG LEU A 86 -17.439 7.456 8.681 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -16.253 5.401 9.348 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -15.507 6.160 7.922 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -14.746 6.332 9.521 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -17.387 6.783 11.052 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -15.924 7.768 11.295 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -17.464 8.552 10.869 1.00 0.00 H new ATOM 1431 N GLU A 87 -16.833 12.181 9.769 1.00 0.00 N ATOM 1432 CA GLU A 87 -16.656 13.152 10.848 1.00 0.00 C ATOM 1433 C GLU A 87 -17.601 12.851 12.010 1.00 0.00 C ATOM 1434 O GLU A 87 -17.194 12.868 13.173 1.00 0.00 O ATOM 1435 CB GLU A 87 -16.894 14.579 10.335 1.00 0.00 C ATOM 1436 CG GLU A 87 -16.144 14.904 9.048 1.00 0.00 C ATOM 1437 CD GLU A 87 -16.954 15.752 8.080 1.00 0.00 C ATOM 1438 OE1 GLU A 87 -18.175 15.510 7.948 1.00 0.00 O ATOM 1439 OE2 GLU A 87 -16.365 16.655 7.449 1.00 0.00 O ATOM 0 H GLU A 87 -17.383 12.523 8.981 1.00 0.00 H new ATOM 0 HA GLU A 87 -15.629 13.073 11.205 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -17.962 14.722 10.168 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.595 15.287 11.108 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -15.221 15.428 9.296 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -15.860 13.974 8.556 1.00 0.00 H new ATOM 1446 N HIS A 88 -18.864 12.569 11.684 1.00 0.00 N ATOM 1447 CA HIS A 88 -19.874 12.256 12.693 1.00 0.00 C ATOM 1448 C HIS A 88 -21.102 11.613 12.045 1.00 0.00 C ATOM 1449 O HIS A 88 -21.184 11.507 10.820 1.00 0.00 O ATOM 1450 CB HIS A 88 -20.283 13.525 13.452 1.00 0.00 C ATOM 1451 CG HIS A 88 -20.145 13.412 14.941 1.00 0.00 C ATOM 1452 ND1 HIS A 88 -19.700 14.447 15.738 1.00 0.00 N ATOM 1453 CD2 HIS A 88 -20.403 12.379 15.780 1.00 0.00 C ATOM 1454 CE1 HIS A 88 -19.690 14.054 17.001 1.00 0.00 C ATOM 1455 NE2 HIS A 88 -20.112 12.805 17.052 1.00 0.00 N ATOM 0 H HIS A 88 -19.211 12.551 10.725 1.00 0.00 H new ATOM 0 HA HIS A 88 -19.442 11.547 13.400 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -19.673 14.358 13.102 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -21.319 13.764 13.210 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -20.769 11.402 15.500 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -19.388 14.654 17.847 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -20.207 12.246 17.900 1.00 0.00 H new ATOM 1464 N HIS A 89 -22.054 11.190 12.874 1.00 0.00 N ATOM 1465 CA HIS A 89 -23.278 10.565 12.382 1.00 0.00 C ATOM 1466 C HIS A 89 -24.318 11.622 12.016 1.00 0.00 C ATOM 1467 O HIS A 89 -24.969 11.525 10.975 1.00 0.00 O ATOM 1468 CB HIS A 89 -23.850 9.608 13.434 1.00 0.00 C ATOM 1469 CG HIS A 89 -24.018 8.200 12.950 1.00 0.00 C ATOM 1470 ND1 HIS A 89 -25.134 7.435 13.229 1.00 0.00 N ATOM 1471 CD2 HIS A 89 -23.201 7.412 12.210 1.00 0.00 C ATOM 1472 CE1 HIS A 89 -24.994 6.241 12.683 1.00 0.00 C ATOM 1473 NE2 HIS A 89 -23.831 6.202 12.059 1.00 0.00 N ATOM 0 H HIS A 89 -22.001 11.269 13.890 1.00 0.00 H new ATOM 0 HA HIS A 89 -23.031 9.997 11.485 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -23.193 9.606 14.304 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -24.817 9.985 13.766 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -22.234 7.685 11.813 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -25.709 5.434 12.738 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -23.460 5.401 11.547 1.00 0.00 H new ATOM 1482 N HIS A 90 -24.466 12.634 12.880 1.00 0.00 N ATOM 1483 CA HIS A 90 -25.426 13.715 12.651 1.00 0.00 C ATOM 1484 C HIS A 90 -26.858 13.187 12.629 1.00 0.00 C ATOM 1485 O HIS A 90 -27.102 12.007 12.897 1.00 0.00 O ATOM 1486 CB HIS A 90 -25.118 14.434 11.330 1.00 0.00 C ATOM 1487 CG HIS A 90 -24.354 15.705 11.506 1.00 0.00 C ATOM 1488 ND1 HIS A 90 -23.170 15.777 12.208 1.00 0.00 N ATOM 1489 CD2 HIS A 90 -24.608 16.960 11.068 1.00 0.00 C ATOM 1490 CE1 HIS A 90 -22.730 17.021 12.195 1.00 0.00 C ATOM 1491 NE2 HIS A 90 -23.583 17.758 11.510 1.00 0.00 N ATOM 0 H HIS A 90 -23.932 12.725 13.744 1.00 0.00 H new ATOM 0 HA HIS A 90 -25.332 14.422 13.475 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -24.549 13.764 10.685 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -26.055 14.651 10.817 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -25.458 17.274 10.481 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -21.825 17.376 12.665 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -23.495 18.759 11.337 1.00 0.00 H new ATOM 1500 N HIS A 91 -27.802 14.068 12.302 1.00 0.00 N ATOM 1501 CA HIS A 91 -29.212 13.693 12.234 1.00 0.00 C ATOM 1502 C HIS A 91 -29.687 13.593 10.780 1.00 0.00 C ATOM 1503 O HIS A 91 -30.865 13.810 10.488 1.00 0.00 O ATOM 1504 CB HIS A 91 -30.075 14.695 13.012 1.00 0.00 C ATOM 1505 CG HIS A 91 -30.060 16.088 12.454 1.00 0.00 C ATOM 1506 ND1 HIS A 91 -31.133 16.639 11.788 1.00 0.00 N ATOM 1507 CD2 HIS A 91 -29.103 17.049 12.480 1.00 0.00 C ATOM 1508 CE1 HIS A 91 -30.839 17.875 11.428 1.00 0.00 C ATOM 1509 NE2 HIS A 91 -29.613 18.148 11.835 1.00 0.00 N ATOM 0 H HIS A 91 -27.615 15.046 12.080 1.00 0.00 H new ATOM 0 HA HIS A 91 -29.320 12.710 12.693 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -31.103 14.334 13.029 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -29.731 14.727 14.046 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -28.123 16.965 12.925 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -31.491 18.548 10.892 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -29.124 19.032 11.693 1.00 0.00 H new ATOM 1518 N HIS A 92 -28.767 13.252 9.873 1.00 0.00 N ATOM 1519 CA HIS A 92 -29.095 13.114 8.459 1.00 0.00 C ATOM 1520 C HIS A 92 -27.953 12.453 7.696 1.00 0.00 C ATOM 1521 O HIS A 92 -26.789 12.825 7.862 1.00 0.00 O ATOM 1522 CB HIS A 92 -29.424 14.478 7.844 1.00 0.00 C ATOM 1523 CG HIS A 92 -28.356 15.511 8.044 1.00 0.00 C ATOM 1524 ND1 HIS A 92 -27.151 15.491 7.374 1.00 0.00 N ATOM 1525 CD2 HIS A 92 -28.323 16.605 8.840 1.00 0.00 C ATOM 1526 CE1 HIS A 92 -26.424 16.527 7.748 1.00 0.00 C ATOM 1527 NE2 HIS A 92 -27.111 17.221 8.637 1.00 0.00 N ATOM 0 H HIS A 92 -27.789 13.067 10.097 1.00 0.00 H new ATOM 0 HA HIS A 92 -29.975 12.475 8.381 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -29.597 14.351 6.775 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -30.355 14.845 8.276 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -26.866 14.785 6.695 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -29.104 16.933 9.510 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -25.434 16.767 7.388 1.00 0.00 H new ATOM 1536 N HIS A 93 -28.295 11.472 6.859 1.00 0.00 N ATOM 1537 CA HIS A 93 -27.306 10.745 6.060 1.00 0.00 C ATOM 1538 C HIS A 93 -26.289 10.008 6.951 1.00 0.00 C ATOM 1539 O HIS A 93 -25.289 9.495 6.406 1.00 0.00 O ATOM 1540 CB HIS A 93 -26.591 11.709 5.095 1.00 0.00 C ATOM 1541 CG HIS A 93 -27.335 11.933 3.810 1.00 0.00 C ATOM 1542 ND1 HIS A 93 -27.831 10.904 3.036 1.00 0.00 N ATOM 1543 CD2 HIS A 93 -27.665 13.078 3.164 1.00 0.00 C ATOM 1544 CE1 HIS A 93 -28.433 11.405 1.973 1.00 0.00 C ATOM 1545 NE2 HIS A 93 -28.347 12.721 2.026 1.00 0.00 N ATOM 1546 OXT HIS A 93 -26.508 9.937 8.183 1.00 0.00 O ATOM 0 H HIS A 93 -29.256 11.161 6.716 1.00 0.00 H new ATOM 0 HA HIS A 93 -27.833 9.990 5.477 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -26.446 12.668 5.593 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -25.601 11.315 4.868 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -27.435 14.083 3.484 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -28.914 10.835 1.192 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -28.725 13.368 1.334 1.00 0.00 H new TER 1555 HIS A 93