USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 677 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 24 GLN : amide:sc= 1.17 K(o=1.9,f=-13!) USER MOD Set 1.2: A 28 LYS NZ :NH3+ -173:sc= 0.694 (180deg=-1.17) USER MOD Set 2.1: A 4 ASN : amide:sc= -0.535 K(o=-1.3,f=-3.4!) USER MOD Set 2.2: A 6 TYR OH : rot 48:sc= -0.305 USER MOD Set 2.3: A 78 SER OG : rot 90:sc= -0.416! USER MOD Set 3.1: A 3 GLN : amide:sc= -9.17! C(o=-7.6!,f=-14!) USER MOD Set 3.2: A 41 LYS NZ :NH3+ -159:sc= 1.14 (180deg=0.432) USER MOD Set 3.3: A 64 TYR OH : rot -46:sc= 0.471 USER MOD Single : A 1 MET CE :methyl -139:sc= -4.97! (180deg=-8.23!) USER MOD Single : A 1 MET N :NH3+ 157:sc= 0.0231 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.00345 USER MOD Single : A 12 THR OG1 : rot 84:sc= 0.0927 USER MOD Single : A 15 HIS : no HD1:sc= -10.2! C(o=-10!,f=-10!) USER MOD Single : A 20 THR OG1 : rot 104:sc= 0.496 USER MOD Single : A 21 MET CE :methyl -129:sc= -0.0401 (180deg=-0.365) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0146 USER MOD Single : A 31 SER OG : rot 66:sc= -1.74 USER MOD Single : A 34 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.1) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.143 USER MOD Single : A 38 ASN :FLIP amide:sc= -9.76! C(o=-11!,f=-9.8!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -9.49! C(o=-9.5!,f=-26!) USER MOD Single : A 45 LYS NZ :NH3+ -116:sc= -0.448 (180deg=-2.86!) USER MOD Single : A 46 SER OG : rot -39:sc= 0.346 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 148:sc= -0.962! (180deg=-3.19!) USER MOD Single : A 52 SER OG : rot 94:sc= 0.509 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -5:sc= -1.64! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -2.71! USER MOD Single : A 75 GLN :FLIP amide:sc= -0.822 F(o=-3.5!,f=-0.82) USER MOD Single : A 82 SER OG : rot 78:sc= 0.764 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.700 1.170 14.134 1.00 0.00 N ATOM 2 CA MET A 1 -8.285 0.831 12.784 1.00 0.00 C ATOM 3 C MET A 1 -7.122 -0.163 12.801 1.00 0.00 C ATOM 4 O MET A 1 -6.358 -0.213 13.764 1.00 0.00 O ATOM 5 CB MET A 1 -7.860 2.101 12.045 1.00 0.00 C ATOM 6 CG MET A 1 -6.526 1.897 11.326 1.00 0.00 C ATOM 7 SD MET A 1 -5.861 3.473 10.814 1.00 0.00 S ATOM 8 CE MET A 1 -6.831 3.755 9.343 1.00 0.00 C ATOM 0 H1 MET A 1 -9.186 2.089 14.127 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.347 0.439 14.492 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.864 1.225 14.751 1.00 0.00 H new ATOM 0 HA MET A 1 -9.128 0.367 12.272 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.627 2.380 11.323 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.773 2.926 12.752 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.821 1.393 11.987 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.666 1.253 10.458 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.194 4.169 8.561 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.258 2.812 9.002 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.635 4.457 9.566 1.00 0.00 H new ATOM 18 N GLU A 2 -7.023 -0.928 11.724 1.00 0.00 N ATOM 19 CA GLU A 2 -5.966 -1.918 11.604 1.00 0.00 C ATOM 20 C GLU A 2 -5.075 -1.598 10.401 1.00 0.00 C ATOM 21 O GLU A 2 -5.573 -1.288 9.320 1.00 0.00 O ATOM 22 CB GLU A 2 -6.545 -3.330 11.497 1.00 0.00 C ATOM 23 CG GLU A 2 -6.170 -3.978 10.163 1.00 0.00 C ATOM 24 CD GLU A 2 -6.271 -5.502 10.246 1.00 0.00 C ATOM 25 OE1 GLU A 2 -6.640 -6.042 11.299 1.00 0.00 O ATOM 26 OE2 GLU A 2 -5.950 -6.129 9.165 1.00 0.00 O ATOM 0 H GLU A 2 -7.657 -0.882 10.927 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.355 -1.880 12.506 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.174 -3.942 12.319 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.630 -3.290 11.593 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.829 -3.609 9.377 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.155 -3.692 9.888 1.00 0.00 H new ATOM 34 N GLN A 3 -3.773 -1.686 10.629 1.00 0.00 N ATOM 35 CA GLN A 3 -2.808 -1.411 9.579 1.00 0.00 C ATOM 36 C GLN A 3 -1.928 -2.638 9.331 1.00 0.00 C ATOM 37 O GLN A 3 -2.133 -3.686 9.941 1.00 0.00 O ATOM 38 CB GLN A 3 -1.957 -0.187 9.923 1.00 0.00 C ATOM 39 CG GLN A 3 -0.986 -0.497 11.062 1.00 0.00 C ATOM 40 CD GLN A 3 0.339 0.246 10.872 1.00 0.00 C ATOM 41 OE1 GLN A 3 0.447 1.186 10.102 1.00 0.00 O ATOM 42 NE2 GLN A 3 1.336 -0.228 11.613 1.00 0.00 N ATOM 0 H GLN A 3 -3.364 -1.944 11.527 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.353 -1.188 8.662 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.400 0.132 9.042 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.605 0.642 10.208 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.434 -0.211 12.014 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.802 -1.570 11.106 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.176 -1.019 12.237 1.00 0.00 H new ATOM 0 HE22 GLN A 3 2.261 0.199 11.557 1.00 0.00 H new ATOM 51 N ASN A 4 -0.968 -2.466 8.434 1.00 0.00 N ATOM 52 CA ASN A 4 -0.057 -3.547 8.098 1.00 0.00 C ATOM 53 C ASN A 4 1.234 -2.959 7.523 1.00 0.00 C ATOM 54 O ASN A 4 1.194 -2.167 6.583 1.00 0.00 O ATOM 55 CB ASN A 4 -0.666 -4.472 7.042 1.00 0.00 C ATOM 56 CG ASN A 4 -0.997 -5.842 7.639 1.00 0.00 C ATOM 57 OD1 ASN A 4 -0.824 -6.877 7.018 1.00 0.00 O ATOM 58 ND2 ASN A 4 -1.483 -5.789 8.877 1.00 0.00 N ATOM 0 H ASN A 4 -0.801 -1.595 7.930 1.00 0.00 H new ATOM 0 HA ASN A 4 0.141 -4.117 9.006 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.571 -4.020 6.636 1.00 0.00 H new ATOM 0 HB3 ASN A 4 0.031 -4.591 6.212 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.736 -6.649 9.363 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.603 -4.888 9.340 1.00 0.00 H new ATOM 65 N SER A 5 2.347 -3.370 8.112 1.00 0.00 N ATOM 66 CA SER A 5 3.647 -2.894 7.671 1.00 0.00 C ATOM 67 C SER A 5 4.307 -3.938 6.768 1.00 0.00 C ATOM 68 O SER A 5 3.987 -5.123 6.845 1.00 0.00 O ATOM 69 CB SER A 5 4.551 -2.576 8.863 1.00 0.00 C ATOM 70 OG SER A 5 3.863 -2.708 10.105 1.00 0.00 O ATOM 0 H SER A 5 2.375 -4.028 8.891 1.00 0.00 H new ATOM 0 HA SER A 5 3.500 -1.974 7.106 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.413 -3.244 8.853 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.934 -1.560 8.767 1.00 0.00 H new ATOM 0 HG SER A 5 4.474 -2.498 10.842 1.00 0.00 H new ATOM 76 N TYR A 6 5.218 -3.460 5.933 1.00 0.00 N ATOM 77 CA TYR A 6 5.927 -4.337 5.016 1.00 0.00 C ATOM 78 C TYR A 6 7.278 -3.740 4.621 1.00 0.00 C ATOM 79 O TYR A 6 7.627 -2.643 5.055 1.00 0.00 O ATOM 80 CB TYR A 6 5.046 -4.443 3.769 1.00 0.00 C ATOM 81 CG TYR A 6 3.640 -4.982 4.044 1.00 0.00 C ATOM 82 CD1 TYR A 6 3.480 -6.214 4.646 1.00 0.00 C ATOM 83 CD2 TYR A 6 2.535 -4.238 3.691 1.00 0.00 C ATOM 84 CE1 TYR A 6 2.157 -6.722 4.904 1.00 0.00 C ATOM 85 CE2 TYR A 6 1.211 -4.745 3.950 1.00 0.00 C ATOM 86 CZ TYR A 6 1.089 -5.963 4.544 1.00 0.00 C ATOM 87 OH TYR A 6 -0.161 -6.442 4.787 1.00 0.00 O ATOM 0 H TYR A 6 5.482 -2.477 5.872 1.00 0.00 H new ATOM 0 HA TYR A 6 6.115 -5.306 5.479 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.963 -3.458 3.311 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.537 -5.092 3.044 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.346 -6.797 4.923 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.661 -3.274 3.220 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.017 -7.685 5.373 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.337 -4.172 3.679 1.00 0.00 H new ATOM 0 HH TYR A 6 -0.214 -6.764 5.711 1.00 0.00 H new ATOM 97 N VAL A 7 8.004 -4.489 3.803 1.00 0.00 N ATOM 98 CA VAL A 7 9.309 -4.047 3.345 1.00 0.00 C ATOM 99 C VAL A 7 9.389 -4.196 1.824 1.00 0.00 C ATOM 100 O VAL A 7 8.949 -5.203 1.271 1.00 0.00 O ATOM 101 CB VAL A 7 10.409 -4.818 4.078 1.00 0.00 C ATOM 102 CG1 VAL A 7 9.817 -5.956 4.913 1.00 0.00 C ATOM 103 CG2 VAL A 7 11.458 -5.346 3.097 1.00 0.00 C ATOM 0 H VAL A 7 7.712 -5.399 3.446 1.00 0.00 H new ATOM 0 HA VAL A 7 9.458 -2.992 3.577 1.00 0.00 H new ATOM 0 HB VAL A 7 10.906 -4.126 4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.620 -6.488 5.424 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.127 -5.545 5.650 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.282 -6.646 4.260 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.228 -5.890 3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.982 -6.015 2.380 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.913 -4.510 2.566 1.00 0.00 H new ATOM 113 N ILE A 8 9.954 -3.178 1.190 1.00 0.00 N ATOM 114 CA ILE A 8 10.097 -3.184 -0.255 1.00 0.00 C ATOM 115 C ILE A 8 11.320 -4.019 -0.640 1.00 0.00 C ATOM 116 O ILE A 8 12.408 -3.817 -0.103 1.00 0.00 O ATOM 117 CB ILE A 8 10.136 -1.752 -0.795 1.00 0.00 C ATOM 118 CG1 ILE A 8 8.872 -0.984 -0.402 1.00 0.00 C ATOM 119 CG2 ILE A 8 10.366 -1.742 -2.307 1.00 0.00 C ATOM 120 CD1 ILE A 8 7.614 -1.752 -0.813 1.00 0.00 C ATOM 0 H ILE A 8 10.318 -2.344 1.651 1.00 0.00 H new ATOM 0 HA ILE A 8 9.231 -3.654 -0.721 1.00 0.00 H new ATOM 0 HB ILE A 8 10.981 -1.237 -0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.864 -0.816 0.675 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.875 -0.003 -0.878 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.389 -0.713 -2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 8 11.316 -2.227 -2.534 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.557 -2.280 -2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.730 -1.184 -0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.613 -1.897 -1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.602 -2.722 -0.317 1.00 0.00 H new ATOM 132 N ILE A 9 11.099 -4.940 -1.566 1.00 0.00 N ATOM 133 CA ILE A 9 12.170 -5.807 -2.028 1.00 0.00 C ATOM 134 C ILE A 9 12.303 -5.680 -3.548 1.00 0.00 C ATOM 135 O ILE A 9 13.164 -6.316 -4.154 1.00 0.00 O ATOM 136 CB ILE A 9 11.942 -7.242 -1.549 1.00 0.00 C ATOM 137 CG1 ILE A 9 10.745 -7.875 -2.263 1.00 0.00 C ATOM 138 CG2 ILE A 9 11.795 -7.295 -0.028 1.00 0.00 C ATOM 139 CD1 ILE A 9 10.824 -9.402 -2.215 1.00 0.00 C ATOM 0 H ILE A 9 10.195 -5.105 -2.009 1.00 0.00 H new ATOM 0 HA ILE A 9 13.122 -5.499 -1.597 1.00 0.00 H new ATOM 0 HB ILE A 9 12.821 -7.832 -1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.819 -7.540 -1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.717 -7.541 -3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.634 -8.326 0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.702 -6.911 0.439 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.944 -6.686 0.277 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.962 -9.827 -2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 9 11.739 -9.735 -2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.827 -9.734 -1.177 1.00 0.00 H new ATOM 151 N ASP A 10 11.438 -4.855 -4.119 1.00 0.00 N ATOM 152 CA ASP A 10 11.448 -4.636 -5.554 1.00 0.00 C ATOM 153 C ASP A 10 12.287 -3.396 -5.871 1.00 0.00 C ATOM 154 O ASP A 10 12.019 -2.313 -5.353 1.00 0.00 O ATOM 155 CB ASP A 10 10.033 -4.398 -6.085 1.00 0.00 C ATOM 156 CG ASP A 10 9.943 -4.139 -7.591 1.00 0.00 C ATOM 157 OD1 ASP A 10 8.844 -4.011 -8.152 1.00 0.00 O ATOM 158 OD2 ASP A 10 11.077 -4.068 -8.201 1.00 0.00 O ATOM 0 H ASP A 10 10.725 -4.330 -3.613 1.00 0.00 H new ATOM 0 HA ASP A 10 11.866 -5.524 -6.027 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.420 -5.266 -5.843 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.602 -3.546 -5.559 1.00 0.00 H new ATOM 164 N GLU A 11 13.283 -3.596 -6.720 1.00 0.00 N ATOM 165 CA GLU A 11 14.162 -2.508 -7.112 1.00 0.00 C ATOM 166 C GLU A 11 13.401 -1.491 -7.966 1.00 0.00 C ATOM 167 O GLU A 11 13.923 -0.423 -8.279 1.00 0.00 O ATOM 168 CB GLU A 11 15.391 -3.035 -7.856 1.00 0.00 C ATOM 169 CG GLU A 11 15.141 -3.083 -9.365 1.00 0.00 C ATOM 170 CD GLU A 11 15.397 -1.717 -10.006 1.00 0.00 C ATOM 171 OE1 GLU A 11 16.179 -0.918 -9.470 1.00 0.00 O ATOM 172 OE2 GLU A 11 14.750 -1.500 -11.101 1.00 0.00 O ATOM 0 H GLU A 11 13.501 -4.496 -7.148 1.00 0.00 H new ATOM 0 HA GLU A 11 14.511 -2.008 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.249 -2.396 -7.646 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.640 -4.032 -7.493 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.790 -3.830 -9.821 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.114 -3.393 -9.558 1.00 0.00 H new ATOM 180 N THR A 12 12.178 -1.859 -8.317 1.00 0.00 N ATOM 181 CA THR A 12 11.339 -0.993 -9.127 1.00 0.00 C ATOM 182 C THR A 12 10.550 -0.029 -8.238 1.00 0.00 C ATOM 183 O THR A 12 10.002 0.960 -8.720 1.00 0.00 O ATOM 184 CB THR A 12 10.449 -1.878 -10.001 1.00 0.00 C ATOM 185 OG1 THR A 12 11.371 -2.642 -10.774 1.00 0.00 O ATOM 186 CG2 THR A 12 9.665 -1.076 -11.041 1.00 0.00 C ATOM 0 H THR A 12 11.748 -2.746 -8.055 1.00 0.00 H new ATOM 0 HA THR A 12 11.940 -0.363 -9.783 1.00 0.00 H new ATOM 0 HB THR A 12 9.753 -2.429 -9.368 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.661 -3.423 -10.259 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.050 -1.753 -11.634 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.025 -0.352 -10.536 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.361 -0.551 -11.695 1.00 0.00 H new ATOM 194 N GLY A 13 10.519 -0.352 -6.953 1.00 0.00 N ATOM 195 CA GLY A 13 9.807 0.472 -5.991 1.00 0.00 C ATOM 196 C GLY A 13 8.345 0.652 -6.399 1.00 0.00 C ATOM 197 O GLY A 13 8.056 1.203 -7.461 1.00 0.00 O ATOM 0 H GLY A 13 10.976 -1.173 -6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.859 0.012 -5.004 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.289 1.446 -5.914 1.00 0.00 H new ATOM 201 N ILE A 14 7.460 0.177 -5.536 1.00 0.00 N ATOM 202 CA ILE A 14 6.033 0.278 -5.794 1.00 0.00 C ATOM 203 C ILE A 14 5.782 1.386 -6.819 1.00 0.00 C ATOM 204 O ILE A 14 5.999 2.562 -6.532 1.00 0.00 O ATOM 205 CB ILE A 14 5.264 0.465 -4.485 1.00 0.00 C ATOM 206 CG1 ILE A 14 4.362 -0.738 -4.201 1.00 0.00 C ATOM 207 CG2 ILE A 14 4.480 1.779 -4.493 1.00 0.00 C ATOM 208 CD1 ILE A 14 2.978 -0.545 -4.822 1.00 0.00 C ATOM 0 H ILE A 14 7.703 -0.279 -4.657 1.00 0.00 H new ATOM 0 HA ILE A 14 5.657 -0.649 -6.227 1.00 0.00 H new ATOM 0 HB ILE A 14 5.986 0.525 -3.671 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.820 -1.643 -4.600 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.265 -0.878 -3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.942 1.888 -3.551 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.170 2.614 -4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.768 1.773 -5.319 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.357 -1.414 -4.605 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.512 0.347 -4.403 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.076 -0.430 -5.901 1.00 0.00 H new ATOM 220 N HIS A 15 5.328 0.970 -7.992 1.00 0.00 N ATOM 221 CA HIS A 15 5.045 1.913 -9.062 1.00 0.00 C ATOM 222 C HIS A 15 3.535 1.989 -9.292 1.00 0.00 C ATOM 223 O HIS A 15 2.753 1.498 -8.478 1.00 0.00 O ATOM 224 CB HIS A 15 5.821 1.547 -10.328 1.00 0.00 C ATOM 225 CG HIS A 15 6.153 0.078 -10.441 1.00 0.00 C ATOM 226 ND1 HIS A 15 5.720 -0.710 -11.492 1.00 0.00 N ATOM 227 CD2 HIS A 15 6.883 -0.736 -9.625 1.00 0.00 C ATOM 228 CE1 HIS A 15 6.173 -1.942 -11.307 1.00 0.00 C ATOM 229 NE2 HIS A 15 6.893 -1.955 -10.149 1.00 0.00 N ATOM 0 H HIS A 15 5.149 -0.007 -8.225 1.00 0.00 H new ATOM 0 HA HIS A 15 5.384 2.908 -8.774 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.237 1.845 -11.199 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.747 2.121 -10.353 1.00 0.00 H new ATOM 0 HD2 HIS A 15 7.370 -0.439 -8.708 1.00 0.00 H new ATOM 0 HE1 HIS A 15 6.002 -2.786 -11.958 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.362 -2.768 -9.751 1.00 0.00 H new ATOM 237 N ALA A 16 3.169 2.608 -10.405 1.00 0.00 N ATOM 238 CA ALA A 16 1.766 2.755 -10.753 1.00 0.00 C ATOM 239 C ALA A 16 1.189 1.385 -11.115 1.00 0.00 C ATOM 240 O ALA A 16 -0.024 1.186 -11.068 1.00 0.00 O ATOM 241 CB ALA A 16 1.625 3.767 -11.891 1.00 0.00 C ATOM 0 H ALA A 16 3.820 3.014 -11.077 1.00 0.00 H new ATOM 0 HA ALA A 16 1.198 3.138 -9.905 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.572 3.877 -12.152 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.022 4.731 -11.572 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.180 3.416 -12.761 1.00 0.00 H new ATOM 247 N ARG A 17 2.085 0.476 -11.470 1.00 0.00 N ATOM 248 CA ARG A 17 1.680 -0.870 -11.840 1.00 0.00 C ATOM 249 C ARG A 17 1.016 -1.570 -10.653 1.00 0.00 C ATOM 250 O ARG A 17 -0.171 -1.887 -10.699 1.00 0.00 O ATOM 251 CB ARG A 17 2.880 -1.697 -12.307 1.00 0.00 C ATOM 252 CG ARG A 17 2.800 -1.983 -13.808 1.00 0.00 C ATOM 253 CD ARG A 17 3.608 -3.229 -14.172 1.00 0.00 C ATOM 254 NE ARG A 17 4.622 -2.894 -15.196 1.00 0.00 N ATOM 255 CZ ARG A 17 5.458 -3.785 -15.746 1.00 0.00 C ATOM 256 NH1 ARG A 17 5.406 -5.072 -15.373 1.00 0.00 N ATOM 257 NH2 ARG A 17 6.347 -3.390 -16.667 1.00 0.00 N ATOM 0 H ARG A 17 3.090 0.645 -11.509 1.00 0.00 H new ATOM 0 HA ARG A 17 0.968 -0.789 -12.661 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.803 -1.162 -12.084 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.915 -2.637 -11.756 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.759 -2.122 -14.100 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.176 -1.125 -14.366 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.096 -3.629 -13.283 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.943 -4.007 -14.548 1.00 0.00 H new ATOM 0 HE ARG A 17 4.689 -1.923 -15.503 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.730 -5.373 -14.671 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.042 -5.750 -15.792 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.388 -2.411 -16.950 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.983 -4.068 -17.086 1.00 0.00 H new ATOM 271 N PRO A 18 1.834 -1.797 -9.590 1.00 0.00 N ATOM 272 CA PRO A 18 1.338 -2.455 -8.392 1.00 0.00 C ATOM 273 C PRO A 18 0.469 -1.505 -7.566 1.00 0.00 C ATOM 274 O PRO A 18 -0.629 -1.869 -7.147 1.00 0.00 O ATOM 275 CB PRO A 18 2.583 -2.915 -7.653 1.00 0.00 C ATOM 276 CG PRO A 18 3.732 -2.098 -8.221 1.00 0.00 C ATOM 277 CD PRO A 18 3.245 -1.435 -9.500 1.00 0.00 C ATOM 0 HA PRO A 18 0.688 -3.301 -8.614 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.482 -2.753 -6.580 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.752 -3.982 -7.800 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.058 -1.347 -7.502 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.591 -2.738 -8.426 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.375 -0.353 -9.460 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.801 -1.791 -10.367 1.00 0.00 H new ATOM 285 N ALA A 19 0.993 -0.305 -7.356 1.00 0.00 N ATOM 286 CA ALA A 19 0.278 0.699 -6.587 1.00 0.00 C ATOM 287 C ALA A 19 -1.198 0.692 -6.993 1.00 0.00 C ATOM 288 O ALA A 19 -2.074 0.934 -6.165 1.00 0.00 O ATOM 289 CB ALA A 19 0.933 2.065 -6.798 1.00 0.00 C ATOM 0 H ALA A 19 1.904 -0.006 -7.705 1.00 0.00 H new ATOM 0 HA ALA A 19 0.328 0.473 -5.522 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.397 2.819 -6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.971 2.026 -6.468 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.899 2.325 -7.856 1.00 0.00 H new ATOM 295 N THR A 20 -1.426 0.410 -8.268 1.00 0.00 N ATOM 296 CA THR A 20 -2.780 0.368 -8.793 1.00 0.00 C ATOM 297 C THR A 20 -3.571 -0.766 -8.139 1.00 0.00 C ATOM 298 O THR A 20 -4.615 -0.531 -7.532 1.00 0.00 O ATOM 299 CB THR A 20 -2.693 0.249 -10.316 1.00 0.00 C ATOM 300 OG1 THR A 20 -2.791 1.593 -10.776 1.00 0.00 O ATOM 301 CG2 THR A 20 -3.917 -0.441 -10.920 1.00 0.00 C ATOM 0 H THR A 20 -0.696 0.209 -8.952 1.00 0.00 H new ATOM 0 HA THR A 20 -3.325 1.281 -8.554 1.00 0.00 H new ATOM 0 HB THR A 20 -1.794 -0.305 -10.585 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.904 1.912 -11.044 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.804 -0.500 -12.003 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.007 -1.447 -10.510 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.813 0.131 -10.679 1.00 0.00 H new ATOM 309 N MET A 21 -3.044 -1.972 -8.284 1.00 0.00 N ATOM 310 CA MET A 21 -3.688 -3.144 -7.715 1.00 0.00 C ATOM 311 C MET A 21 -3.896 -2.979 -6.208 1.00 0.00 C ATOM 312 O MET A 21 -4.976 -3.259 -5.693 1.00 0.00 O ATOM 313 CB MET A 21 -2.824 -4.380 -7.978 1.00 0.00 C ATOM 314 CG MET A 21 -2.678 -4.637 -9.479 1.00 0.00 C ATOM 315 SD MET A 21 -2.227 -6.341 -9.765 1.00 0.00 S ATOM 316 CE MET A 21 -3.808 -7.128 -9.507 1.00 0.00 C ATOM 0 H MET A 21 -2.178 -2.164 -8.787 1.00 0.00 H new ATOM 0 HA MET A 21 -4.663 -3.264 -8.187 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.839 -4.242 -7.532 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.272 -5.250 -7.498 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.615 -4.410 -9.988 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.919 -3.976 -9.897 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.694 -7.950 -8.800 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.515 -6.401 -9.107 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.181 -7.514 -10.456 1.00 0.00 H new ATOM 326 N LEU A 22 -2.844 -2.522 -5.545 1.00 0.00 N ATOM 327 CA LEU A 22 -2.897 -2.315 -4.107 1.00 0.00 C ATOM 328 C LEU A 22 -3.968 -1.270 -3.787 1.00 0.00 C ATOM 329 O LEU A 22 -4.834 -1.502 -2.946 1.00 0.00 O ATOM 330 CB LEU A 22 -1.511 -1.962 -3.565 1.00 0.00 C ATOM 331 CG LEU A 22 -0.951 -2.901 -2.495 1.00 0.00 C ATOM 332 CD1 LEU A 22 -0.062 -3.977 -3.121 1.00 0.00 C ATOM 333 CD2 LEU A 22 -0.218 -2.115 -1.405 1.00 0.00 C ATOM 0 H LEU A 22 -1.950 -2.289 -5.977 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.187 -3.235 -3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.811 -1.937 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.550 -0.954 -3.152 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.787 -3.412 -2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.323 -4.631 -2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.646 -4.564 -3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.771 -3.504 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.170 -2.806 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.608 -1.560 -1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.910 -1.418 -0.931 1.00 0.00 H new ATOM 345 N VAL A 23 -3.874 -0.143 -4.476 1.00 0.00 N ATOM 346 CA VAL A 23 -4.823 0.939 -4.275 1.00 0.00 C ATOM 347 C VAL A 23 -6.227 0.454 -4.641 1.00 0.00 C ATOM 348 O VAL A 23 -7.195 0.767 -3.951 1.00 0.00 O ATOM 349 CB VAL A 23 -4.389 2.171 -5.071 1.00 0.00 C ATOM 350 CG1 VAL A 23 -5.590 3.060 -5.402 1.00 0.00 C ATOM 351 CG2 VAL A 23 -3.314 2.959 -4.321 1.00 0.00 C ATOM 0 H VAL A 23 -3.155 0.045 -5.175 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.845 1.238 -3.227 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.957 1.827 -6.011 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.254 3.929 -5.968 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.308 2.495 -5.996 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.064 3.390 -4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.024 3.829 -4.909 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.708 3.286 -3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.443 2.324 -4.160 1.00 0.00 H new ATOM 361 N GLN A 24 -6.292 -0.303 -5.727 1.00 0.00 N ATOM 362 CA GLN A 24 -7.562 -0.834 -6.194 1.00 0.00 C ATOM 363 C GLN A 24 -8.164 -1.769 -5.143 1.00 0.00 C ATOM 364 O GLN A 24 -9.217 -1.476 -4.577 1.00 0.00 O ATOM 365 CB GLN A 24 -7.396 -1.552 -7.535 1.00 0.00 C ATOM 366 CG GLN A 24 -8.654 -1.408 -8.393 1.00 0.00 C ATOM 367 CD GLN A 24 -8.738 -2.526 -9.435 1.00 0.00 C ATOM 368 OE1 GLN A 24 -9.602 -3.386 -9.391 1.00 0.00 O ATOM 369 NE2 GLN A 24 -7.795 -2.465 -10.371 1.00 0.00 N ATOM 0 H GLN A 24 -5.486 -0.561 -6.297 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.248 -0.001 -6.348 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.539 -1.141 -8.068 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.188 -2.608 -7.363 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.538 -1.433 -7.756 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.649 -0.440 -8.893 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.102 -1.717 -10.348 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.765 -3.166 -11.112 1.00 0.00 H new ATOM 378 N THR A 25 -7.471 -2.875 -4.913 1.00 0.00 N ATOM 379 CA THR A 25 -7.924 -3.854 -3.940 1.00 0.00 C ATOM 380 C THR A 25 -8.152 -3.189 -2.581 1.00 0.00 C ATOM 381 O THR A 25 -8.926 -3.687 -1.764 1.00 0.00 O ATOM 382 CB THR A 25 -6.899 -4.989 -3.897 1.00 0.00 C ATOM 383 OG1 THR A 25 -7.520 -6.046 -4.622 1.00 0.00 O ATOM 384 CG2 THR A 25 -6.714 -5.558 -2.490 1.00 0.00 C ATOM 0 H THR A 25 -6.599 -3.115 -5.384 1.00 0.00 H new ATOM 0 HA THR A 25 -8.887 -4.278 -4.225 1.00 0.00 H new ATOM 0 HB THR A 25 -5.941 -4.627 -4.270 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.922 -6.822 -4.645 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.976 -6.360 -2.516 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.369 -4.769 -1.821 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.664 -5.951 -2.128 1.00 0.00 H new ATOM 392 N ALA A 26 -7.465 -2.074 -2.381 1.00 0.00 N ATOM 393 CA ALA A 26 -7.583 -1.336 -1.134 1.00 0.00 C ATOM 394 C ALA A 26 -8.975 -0.707 -1.049 1.00 0.00 C ATOM 395 O ALA A 26 -9.733 -0.995 -0.125 1.00 0.00 O ATOM 396 CB ALA A 26 -6.465 -0.294 -1.051 1.00 0.00 C ATOM 0 H ALA A 26 -6.825 -1.664 -3.061 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.471 -2.003 -0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.553 0.260 -0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.498 -0.795 -1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.548 0.396 -1.891 1.00 0.00 H new ATOM 402 N SER A 27 -9.268 0.139 -2.026 1.00 0.00 N ATOM 403 CA SER A 27 -10.555 0.811 -2.072 1.00 0.00 C ATOM 404 C SER A 27 -11.639 -0.166 -2.533 1.00 0.00 C ATOM 405 O SER A 27 -12.739 -0.181 -1.984 1.00 0.00 O ATOM 406 CB SER A 27 -10.508 2.028 -2.999 1.00 0.00 C ATOM 407 OG SER A 27 -9.726 1.782 -4.164 1.00 0.00 O ATOM 0 H SER A 27 -8.636 0.374 -2.791 1.00 0.00 H new ATOM 0 HA SER A 27 -10.794 1.162 -1.068 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.522 2.299 -3.294 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.095 2.880 -2.458 1.00 0.00 H new ATOM 0 HG SER A 27 -9.722 2.582 -4.730 1.00 0.00 H new ATOM 413 N LYS A 28 -11.289 -0.956 -3.537 1.00 0.00 N ATOM 414 CA LYS A 28 -12.219 -1.933 -4.077 1.00 0.00 C ATOM 415 C LYS A 28 -13.120 -2.450 -2.955 1.00 0.00 C ATOM 416 O LYS A 28 -14.303 -2.710 -3.172 1.00 0.00 O ATOM 417 CB LYS A 28 -11.463 -3.039 -4.817 1.00 0.00 C ATOM 418 CG LYS A 28 -10.935 -2.537 -6.163 1.00 0.00 C ATOM 419 CD LYS A 28 -12.007 -2.651 -7.249 1.00 0.00 C ATOM 420 CE LYS A 28 -12.234 -4.111 -7.644 1.00 0.00 C ATOM 421 NZ LYS A 28 -10.960 -4.863 -7.605 1.00 0.00 N ATOM 0 H LYS A 28 -10.375 -0.940 -3.990 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.869 -1.470 -4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.632 -3.389 -4.204 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.123 -3.892 -4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.617 -1.499 -6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.057 -3.115 -6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.941 -2.218 -6.890 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.705 -2.076 -8.125 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.954 -4.569 -6.966 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.662 -4.161 -8.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.109 -5.818 -7.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.247 -4.368 -8.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.628 -4.932 -6.622 1.00 0.00 H new ATOM 435 N PHE A 29 -12.527 -2.583 -1.777 1.00 0.00 N ATOM 436 CA PHE A 29 -13.262 -3.063 -0.620 1.00 0.00 C ATOM 437 C PHE A 29 -14.243 -2.004 -0.114 1.00 0.00 C ATOM 438 O PHE A 29 -15.395 -1.964 -0.542 1.00 0.00 O ATOM 439 CB PHE A 29 -12.233 -3.353 0.475 1.00 0.00 C ATOM 440 CG PHE A 29 -11.481 -4.673 0.290 1.00 0.00 C ATOM 441 CD1 PHE A 29 -10.926 -4.974 -0.916 1.00 0.00 C ATOM 442 CD2 PHE A 29 -11.367 -5.542 1.328 1.00 0.00 C ATOM 443 CE1 PHE A 29 -10.229 -6.199 -1.088 1.00 0.00 C ATOM 444 CE2 PHE A 29 -10.669 -6.767 1.155 1.00 0.00 C ATOM 445 CZ PHE A 29 -10.114 -7.069 -0.048 1.00 0.00 C ATOM 0 H PHE A 29 -11.546 -2.367 -1.600 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.835 -3.951 -0.886 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -11.511 -2.537 0.506 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.739 -3.368 1.440 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.016 -4.282 -1.741 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.807 -5.302 2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.790 -6.440 -2.045 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.579 -7.458 1.980 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.582 -8.000 -0.179 1.00 0.00 H new ATOM 455 N ASP A 30 -13.750 -1.171 0.791 1.00 0.00 N ATOM 456 CA ASP A 30 -14.568 -0.114 1.360 1.00 0.00 C ATOM 457 C ASP A 30 -13.790 0.582 2.478 1.00 0.00 C ATOM 458 O ASP A 30 -13.648 1.805 2.474 1.00 0.00 O ATOM 459 CB ASP A 30 -15.857 -0.677 1.961 1.00 0.00 C ATOM 460 CG ASP A 30 -16.685 0.322 2.769 1.00 0.00 C ATOM 461 OD1 ASP A 30 -16.147 1.087 3.584 1.00 0.00 O ATOM 462 OD2 ASP A 30 -17.953 0.298 2.533 1.00 0.00 O ATOM 0 H ASP A 30 -12.794 -1.207 1.144 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.818 0.585 0.562 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -16.475 -1.069 1.153 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.602 -1.519 2.605 1.00 0.00 H new ATOM 468 N SER A 31 -13.305 -0.226 3.410 1.00 0.00 N ATOM 469 CA SER A 31 -12.545 0.297 4.532 1.00 0.00 C ATOM 470 C SER A 31 -11.654 1.451 4.068 1.00 0.00 C ATOM 471 O SER A 31 -11.228 1.487 2.915 1.00 0.00 O ATOM 472 CB SER A 31 -11.698 -0.800 5.182 1.00 0.00 C ATOM 473 OG SER A 31 -11.890 -2.065 4.555 1.00 0.00 O ATOM 0 H SER A 31 -13.424 -1.239 3.411 1.00 0.00 H new ATOM 0 HA SER A 31 -13.248 0.667 5.279 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.645 -0.525 5.128 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.953 -0.877 6.239 1.00 0.00 H new ATOM 0 HG SER A 31 -11.550 -2.030 3.637 1.00 0.00 H new ATOM 479 N ASP A 32 -11.398 2.367 4.992 1.00 0.00 N ATOM 480 CA ASP A 32 -10.566 3.519 4.692 1.00 0.00 C ATOM 481 C ASP A 32 -9.097 3.154 4.915 1.00 0.00 C ATOM 482 O ASP A 32 -8.513 3.506 5.938 1.00 0.00 O ATOM 483 CB ASP A 32 -10.903 4.696 5.609 1.00 0.00 C ATOM 484 CG ASP A 32 -12.374 4.795 6.019 1.00 0.00 C ATOM 485 OD1 ASP A 32 -13.274 4.374 5.277 1.00 0.00 O ATOM 486 OD2 ASP A 32 -12.584 5.338 7.171 1.00 0.00 O ATOM 0 H ASP A 32 -11.752 2.334 5.948 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.748 3.805 3.656 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.294 4.621 6.510 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.618 5.621 5.108 1.00 0.00 H new ATOM 492 N ILE A 33 -8.541 2.449 3.939 1.00 0.00 N ATOM 493 CA ILE A 33 -7.151 2.032 4.016 1.00 0.00 C ATOM 494 C ILE A 33 -6.247 3.216 3.666 1.00 0.00 C ATOM 495 O ILE A 33 -6.596 4.040 2.822 1.00 0.00 O ATOM 496 CB ILE A 33 -6.914 0.798 3.143 1.00 0.00 C ATOM 497 CG1 ILE A 33 -7.878 -0.331 3.514 1.00 0.00 C ATOM 498 CG2 ILE A 33 -5.453 0.349 3.212 1.00 0.00 C ATOM 499 CD1 ILE A 33 -8.665 -0.805 2.291 1.00 0.00 C ATOM 0 H ILE A 33 -9.028 2.157 3.092 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.900 1.729 5.032 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.119 1.069 2.107 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.320 -1.166 3.937 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.568 0.014 4.284 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.312 -0.530 2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.808 1.154 2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.197 0.102 4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.342 -1.608 2.583 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.241 0.026 1.884 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.973 -1.172 1.533 1.00 0.00 H new ATOM 511 N GLN A 34 -5.104 3.262 4.334 1.00 0.00 N ATOM 512 CA GLN A 34 -4.147 4.332 4.105 1.00 0.00 C ATOM 513 C GLN A 34 -2.734 3.760 3.967 1.00 0.00 C ATOM 514 O GLN A 34 -2.383 2.795 4.643 1.00 0.00 O ATOM 515 CB GLN A 34 -4.210 5.373 5.224 1.00 0.00 C ATOM 516 CG GLN A 34 -2.840 5.555 5.880 1.00 0.00 C ATOM 517 CD GLN A 34 -2.860 6.716 6.878 1.00 0.00 C ATOM 518 OE1 GLN A 34 -2.610 6.556 8.061 1.00 0.00 O ATOM 519 NE2 GLN A 34 -3.171 7.890 6.335 1.00 0.00 N ATOM 0 H GLN A 34 -4.819 2.576 5.033 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.408 4.833 3.173 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.554 6.326 4.821 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.938 5.063 5.974 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.553 4.636 6.391 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.088 5.742 5.114 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.369 7.954 5.336 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.211 8.727 6.917 1.00 0.00 H new ATOM 528 N LEU A 35 -1.963 4.378 3.085 1.00 0.00 N ATOM 529 CA LEU A 35 -0.597 3.943 2.850 1.00 0.00 C ATOM 530 C LEU A 35 0.349 4.738 3.752 1.00 0.00 C ATOM 531 O LEU A 35 0.083 5.896 4.071 1.00 0.00 O ATOM 532 CB LEU A 35 -0.253 4.038 1.363 1.00 0.00 C ATOM 533 CG LEU A 35 0.834 3.084 0.863 1.00 0.00 C ATOM 534 CD1 LEU A 35 0.914 3.095 -0.665 1.00 0.00 C ATOM 535 CD2 LEU A 35 2.183 3.401 1.511 1.00 0.00 C ATOM 0 H LEU A 35 -2.258 5.177 2.524 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.481 2.892 3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.161 3.856 0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.061 5.059 1.148 1.00 0.00 H new ATOM 0 HG LEU A 35 0.564 2.072 1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.694 2.409 -0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.043 2.782 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.148 4.102 -1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.937 2.708 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.474 4.422 1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.100 3.299 2.593 1.00 0.00 H new ATOM 547 N GLU A 36 1.436 4.086 4.137 1.00 0.00 N ATOM 548 CA GLU A 36 2.424 4.716 4.996 1.00 0.00 C ATOM 549 C GLU A 36 3.832 4.256 4.614 1.00 0.00 C ATOM 550 O GLU A 36 4.017 3.133 4.147 1.00 0.00 O ATOM 551 CB GLU A 36 2.134 4.427 6.469 1.00 0.00 C ATOM 552 CG GLU A 36 3.335 4.786 7.346 1.00 0.00 C ATOM 553 CD GLU A 36 3.131 4.302 8.783 1.00 0.00 C ATOM 554 OE1 GLU A 36 2.812 3.124 9.001 1.00 0.00 O ATOM 555 OE2 GLU A 36 3.314 5.200 9.692 1.00 0.00 O ATOM 0 H GLU A 36 1.654 3.126 3.869 1.00 0.00 H new ATOM 0 HA GLU A 36 2.365 5.795 4.853 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.262 4.997 6.790 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.890 3.372 6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.238 4.337 6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.484 5.866 7.340 1.00 0.00 H new ATOM 563 N TYR A 37 4.789 5.147 4.825 1.00 0.00 N ATOM 564 CA TYR A 37 6.175 4.847 4.508 1.00 0.00 C ATOM 565 C TYR A 37 7.127 5.696 5.353 1.00 0.00 C ATOM 566 O TYR A 37 7.244 6.901 5.140 1.00 0.00 O ATOM 567 CB TYR A 37 6.359 5.209 3.034 1.00 0.00 C ATOM 568 CG TYR A 37 7.804 5.097 2.541 1.00 0.00 C ATOM 569 CD1 TYR A 37 8.640 4.135 3.069 1.00 0.00 C ATOM 570 CD2 TYR A 37 8.269 5.959 1.568 1.00 0.00 C ATOM 571 CE1 TYR A 37 9.999 4.030 2.604 1.00 0.00 C ATOM 572 CE2 TYR A 37 9.629 5.853 1.104 1.00 0.00 C ATOM 573 CZ TYR A 37 10.427 4.893 1.646 1.00 0.00 C ATOM 574 OH TYR A 37 11.709 4.794 1.207 1.00 0.00 O ATOM 0 H TYR A 37 4.632 6.078 5.212 1.00 0.00 H new ATOM 0 HA TYR A 37 6.397 3.799 4.711 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.728 4.558 2.429 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.010 6.229 2.875 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.276 3.461 3.830 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.614 6.712 1.155 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.664 3.281 3.008 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.007 6.520 0.343 1.00 0.00 H new ATOM 0 HH TYR A 37 11.873 5.475 0.521 1.00 0.00 H new ATOM 584 N ASN A 38 7.784 5.033 6.294 1.00 0.00 N ATOM 585 CA ASN A 38 8.721 5.712 7.172 1.00 0.00 C ATOM 586 C ASN A 38 8.041 6.934 7.790 1.00 0.00 C ATOM 587 O ASN A 38 8.595 8.034 7.771 1.00 0.00 O ATOM 588 CB ASN A 38 9.949 6.195 6.397 1.00 0.00 C ATOM 589 CG ASN A 38 9.553 7.195 5.308 1.00 0.00 C ATOM 590 OD1 ASN A 38 9.792 6.769 4.072 1.00 0.00 O flip ATOM 591 ND2 ASN A 38 9.062 8.279 5.575 1.00 0.00 N flip ATOM 0 H ASN A 38 7.686 4.033 6.467 1.00 0.00 H new ATOM 0 HA ASN A 38 9.034 5.007 7.942 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.656 6.661 7.083 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.457 5.343 5.946 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.906 8.542 6.548 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.808 8.922 4.825 1.00 0.00 H new ATOM 598 N GLY A 39 6.851 6.703 8.323 1.00 0.00 N ATOM 599 CA GLY A 39 6.090 7.773 8.947 1.00 0.00 C ATOM 600 C GLY A 39 5.397 8.639 7.893 1.00 0.00 C ATOM 601 O GLY A 39 4.747 9.629 8.227 1.00 0.00 O ATOM 0 H GLY A 39 6.394 5.791 8.336 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.346 7.349 9.621 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.753 8.391 9.552 1.00 0.00 H new ATOM 605 N LYS A 40 5.560 8.236 6.641 1.00 0.00 N ATOM 606 CA LYS A 40 4.959 8.963 5.536 1.00 0.00 C ATOM 607 C LYS A 40 3.661 8.269 5.120 1.00 0.00 C ATOM 608 O LYS A 40 3.672 7.385 4.265 1.00 0.00 O ATOM 609 CB LYS A 40 5.963 9.126 4.393 1.00 0.00 C ATOM 610 CG LYS A 40 6.127 10.599 4.014 1.00 0.00 C ATOM 611 CD LYS A 40 7.168 11.282 4.904 1.00 0.00 C ATOM 612 CE LYS A 40 7.357 12.746 4.503 1.00 0.00 C ATOM 613 NZ LYS A 40 8.541 13.321 5.181 1.00 0.00 N ATOM 0 H LYS A 40 6.100 7.415 6.368 1.00 0.00 H new ATOM 0 HA LYS A 40 4.695 9.975 5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.927 8.713 4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.627 8.559 3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.428 10.678 2.969 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.170 11.111 4.109 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.854 11.224 5.946 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.119 10.755 4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.478 12.820 3.422 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.467 13.319 4.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.655 14.315 4.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.411 13.267 6.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.390 12.785 4.911 1.00 0.00 H new ATOM 627 N LYS A 41 2.573 8.694 5.746 1.00 0.00 N ATOM 628 CA LYS A 41 1.269 8.124 5.452 1.00 0.00 C ATOM 629 C LYS A 41 0.624 8.903 4.304 1.00 0.00 C ATOM 630 O LYS A 41 0.864 10.099 4.149 1.00 0.00 O ATOM 631 CB LYS A 41 0.410 8.068 6.717 1.00 0.00 C ATOM 632 CG LYS A 41 1.175 7.414 7.870 1.00 0.00 C ATOM 633 CD LYS A 41 2.065 8.433 8.586 1.00 0.00 C ATOM 634 CE LYS A 41 1.786 8.443 10.091 1.00 0.00 C ATOM 635 NZ LYS A 41 2.583 7.399 10.772 1.00 0.00 N ATOM 0 H LYS A 41 2.568 9.427 6.456 1.00 0.00 H new ATOM 0 HA LYS A 41 1.371 7.091 5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.109 9.076 7.001 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.503 7.507 6.517 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.470 6.980 8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.787 6.597 7.488 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.113 8.194 8.408 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.891 9.427 8.174 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.028 9.422 10.505 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.724 8.274 10.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.146 7.171 11.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.613 6.544 10.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.551 7.747 10.927 1.00 0.00 H new ATOM 649 N VAL A 42 -0.183 8.193 3.530 1.00 0.00 N ATOM 650 CA VAL A 42 -0.865 8.804 2.401 1.00 0.00 C ATOM 651 C VAL A 42 -2.193 8.082 2.162 1.00 0.00 C ATOM 652 O VAL A 42 -2.653 7.323 3.014 1.00 0.00 O ATOM 653 CB VAL A 42 0.047 8.798 1.173 1.00 0.00 C ATOM 654 CG1 VAL A 42 1.520 8.774 1.585 1.00 0.00 C ATOM 655 CG2 VAL A 42 -0.283 7.624 0.250 1.00 0.00 C ATOM 0 H VAL A 42 -0.380 7.201 3.662 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.095 9.848 2.613 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.131 9.720 0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.147 8.770 0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.745 9.657 2.183 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.719 7.878 2.172 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.380 7.644 -0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.147 6.687 0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.318 7.703 -0.084 1.00 0.00 H new ATOM 665 N ASN A 43 -2.772 8.345 1.000 1.00 0.00 N ATOM 666 CA ASN A 43 -4.038 7.730 0.638 1.00 0.00 C ATOM 667 C ASN A 43 -3.772 6.490 -0.218 1.00 0.00 C ATOM 668 O ASN A 43 -3.258 6.598 -1.330 1.00 0.00 O ATOM 669 CB ASN A 43 -4.903 8.692 -0.179 1.00 0.00 C ATOM 670 CG ASN A 43 -6.143 7.982 -0.728 1.00 0.00 C ATOM 671 OD1 ASN A 43 -6.150 7.452 -1.826 1.00 0.00 O ATOM 672 ND2 ASN A 43 -7.186 8.001 0.096 1.00 0.00 N ATOM 0 H ASN A 43 -2.388 8.976 0.297 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.560 7.467 1.558 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.207 9.533 0.445 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.319 9.101 -1.003 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.061 7.553 -0.178 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.112 8.463 1.002 1.00 0.00 H new ATOM 679 N LEU A 44 -4.134 5.341 0.334 1.00 0.00 N ATOM 680 CA LEU A 44 -3.941 4.082 -0.366 1.00 0.00 C ATOM 681 C LEU A 44 -5.007 3.938 -1.453 1.00 0.00 C ATOM 682 O LEU A 44 -5.268 2.835 -1.930 1.00 0.00 O ATOM 683 CB LEU A 44 -3.914 2.918 0.626 1.00 0.00 C ATOM 684 CG LEU A 44 -3.839 1.517 0.015 1.00 0.00 C ATOM 685 CD1 LEU A 44 -3.047 1.532 -1.294 1.00 0.00 C ATOM 686 CD2 LEU A 44 -3.271 0.510 1.017 1.00 0.00 C ATOM 0 H LEU A 44 -4.560 5.255 1.257 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.973 4.069 -0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.058 3.050 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.808 2.975 1.247 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.852 1.195 -0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.009 0.524 -1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.534 2.198 -2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.033 1.884 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.229 -0.477 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.267 0.816 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.912 0.472 1.898 1.00 0.00 H new ATOM 698 N LYS A 45 -5.595 5.070 -1.813 1.00 0.00 N ATOM 699 CA LYS A 45 -6.627 5.084 -2.836 1.00 0.00 C ATOM 700 C LYS A 45 -6.193 6.002 -3.980 1.00 0.00 C ATOM 701 O LYS A 45 -6.959 6.244 -4.912 1.00 0.00 O ATOM 702 CB LYS A 45 -7.980 5.459 -2.226 1.00 0.00 C ATOM 703 CG LYS A 45 -7.990 5.208 -0.718 1.00 0.00 C ATOM 704 CD LYS A 45 -8.194 3.723 -0.410 1.00 0.00 C ATOM 705 CE LYS A 45 -9.454 3.505 0.430 1.00 0.00 C ATOM 706 NZ LYS A 45 -10.634 4.090 -0.243 1.00 0.00 N ATOM 0 H LYS A 45 -5.376 5.983 -1.415 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.758 4.088 -3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.194 6.509 -2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.770 4.877 -2.700 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.050 5.547 -0.283 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.785 5.792 -0.254 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.272 3.162 -1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.326 3.336 0.123 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.611 2.438 0.590 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.326 3.959 1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.017 4.863 0.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.354 4.462 -1.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.361 3.357 -0.367 1.00 0.00 H new ATOM 720 N SER A 46 -4.966 6.490 -3.872 1.00 0.00 N ATOM 721 CA SER A 46 -4.421 7.377 -4.885 1.00 0.00 C ATOM 722 C SER A 46 -3.011 6.924 -5.273 1.00 0.00 C ATOM 723 O SER A 46 -2.189 6.629 -4.406 1.00 0.00 O ATOM 724 CB SER A 46 -4.397 8.826 -4.395 1.00 0.00 C ATOM 725 OG SER A 46 -4.335 9.754 -5.474 1.00 0.00 O ATOM 0 H SER A 46 -4.334 6.288 -3.098 1.00 0.00 H new ATOM 0 HA SER A 46 -5.066 7.330 -5.763 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.289 9.022 -3.799 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.538 8.973 -3.741 1.00 0.00 H new ATOM 0 HG SER A 46 -3.733 9.410 -6.167 1.00 0.00 H new ATOM 731 N ILE A 47 -2.774 6.885 -6.576 1.00 0.00 N ATOM 732 CA ILE A 47 -1.478 6.474 -7.089 1.00 0.00 C ATOM 733 C ILE A 47 -0.471 7.608 -6.887 1.00 0.00 C ATOM 734 O ILE A 47 0.597 7.402 -6.313 1.00 0.00 O ATOM 735 CB ILE A 47 -1.600 6.011 -8.542 1.00 0.00 C ATOM 736 CG1 ILE A 47 -0.990 4.619 -8.726 1.00 0.00 C ATOM 737 CG2 ILE A 47 -0.985 7.036 -9.498 1.00 0.00 C ATOM 738 CD1 ILE A 47 -1.667 3.599 -7.807 1.00 0.00 C ATOM 0 H ILE A 47 -3.458 7.131 -7.292 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.104 5.613 -6.535 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.659 5.935 -8.789 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.097 4.305 -9.764 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.078 4.655 -8.512 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.085 6.682 -10.524 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.502 7.990 -9.391 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.071 7.167 -9.261 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.216 2.618 -7.957 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.538 3.903 -6.768 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.730 3.548 -8.041 1.00 0.00 H new ATOM 750 N MET A 48 -0.848 8.784 -7.370 1.00 0.00 N ATOM 751 CA MET A 48 0.008 9.951 -7.250 1.00 0.00 C ATOM 752 C MET A 48 0.739 9.960 -5.906 1.00 0.00 C ATOM 753 O MET A 48 1.851 10.476 -5.803 1.00 0.00 O ATOM 754 CB MET A 48 -0.836 11.220 -7.381 1.00 0.00 C ATOM 755 CG MET A 48 -1.747 11.148 -8.608 1.00 0.00 C ATOM 756 SD MET A 48 -3.407 10.720 -8.110 1.00 0.00 S ATOM 757 CE MET A 48 -4.299 12.119 -8.771 1.00 0.00 C ATOM 0 H MET A 48 -1.735 8.953 -7.845 1.00 0.00 H new ATOM 0 HA MET A 48 0.752 9.915 -8.046 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.439 11.354 -6.483 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.183 12.089 -7.459 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.750 12.107 -9.126 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.367 10.407 -9.311 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.361 12.012 -8.548 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.924 13.037 -8.318 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.158 12.163 -9.851 1.00 0.00 H new ATOM 767 N GLY A 49 0.085 9.383 -4.909 1.00 0.00 N ATOM 768 CA GLY A 49 0.657 9.317 -3.576 1.00 0.00 C ATOM 769 C GLY A 49 1.576 8.103 -3.433 1.00 0.00 C ATOM 770 O GLY A 49 2.741 8.241 -3.063 1.00 0.00 O ATOM 0 H GLY A 49 -0.837 8.956 -4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.219 10.229 -3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.142 9.262 -2.836 1.00 0.00 H new ATOM 774 N VAL A 50 1.017 6.939 -3.732 1.00 0.00 N ATOM 775 CA VAL A 50 1.771 5.701 -3.641 1.00 0.00 C ATOM 776 C VAL A 50 2.996 5.788 -4.555 1.00 0.00 C ATOM 777 O VAL A 50 4.040 5.212 -4.254 1.00 0.00 O ATOM 778 CB VAL A 50 0.865 4.512 -3.967 1.00 0.00 C ATOM 779 CG1 VAL A 50 1.653 3.199 -3.940 1.00 0.00 C ATOM 780 CG2 VAL A 50 -0.328 4.454 -3.013 1.00 0.00 C ATOM 0 H VAL A 50 0.050 6.828 -4.038 1.00 0.00 H new ATOM 0 HA VAL A 50 2.133 5.547 -2.625 1.00 0.00 H new ATOM 0 HB VAL A 50 0.480 4.652 -4.977 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.986 2.369 -4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.454 3.240 -4.678 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.080 3.051 -2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.956 3.600 -3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.030 4.350 -1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.910 5.371 -3.102 1.00 0.00 H new ATOM 790 N MET A 51 2.826 6.511 -5.652 1.00 0.00 N ATOM 791 CA MET A 51 3.905 6.680 -6.611 1.00 0.00 C ATOM 792 C MET A 51 4.960 7.655 -6.084 1.00 0.00 C ATOM 793 O MET A 51 6.154 7.367 -6.129 1.00 0.00 O ATOM 794 CB MET A 51 3.337 7.206 -7.931 1.00 0.00 C ATOM 795 CG MET A 51 2.331 6.219 -8.527 1.00 0.00 C ATOM 796 SD MET A 51 2.219 6.456 -10.293 1.00 0.00 S ATOM 797 CE MET A 51 3.945 6.342 -10.733 1.00 0.00 C ATOM 0 H MET A 51 1.958 6.986 -5.898 1.00 0.00 H new ATOM 0 HA MET A 51 4.380 5.712 -6.770 1.00 0.00 H new ATOM 0 HB2 MET A 51 2.853 8.168 -7.765 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.149 7.375 -8.639 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.638 5.196 -8.307 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.352 6.363 -8.069 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.039 5.909 -11.729 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.388 7.338 -10.727 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.463 5.710 -10.012 1.00 0.00 H new ATOM 807 N SER A 52 4.480 8.789 -5.595 1.00 0.00 N ATOM 808 CA SER A 52 5.366 9.808 -5.060 1.00 0.00 C ATOM 809 C SER A 52 5.794 9.436 -3.639 1.00 0.00 C ATOM 810 O SER A 52 6.399 10.244 -2.937 1.00 0.00 O ATOM 811 CB SER A 52 4.695 11.182 -5.069 1.00 0.00 C ATOM 812 OG SER A 52 4.382 11.616 -6.391 1.00 0.00 O ATOM 0 H SER A 52 3.488 9.024 -5.558 1.00 0.00 H new ATOM 0 HA SER A 52 6.249 9.861 -5.697 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.782 11.143 -4.475 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.353 11.910 -4.595 1.00 0.00 H new ATOM 0 HG SER A 52 3.462 11.360 -6.610 1.00 0.00 H new ATOM 818 N LEU A 53 5.461 8.211 -3.258 1.00 0.00 N ATOM 819 CA LEU A 53 5.803 7.722 -1.933 1.00 0.00 C ATOM 820 C LEU A 53 7.218 7.141 -1.957 1.00 0.00 C ATOM 821 O LEU A 53 7.644 6.492 -1.003 1.00 0.00 O ATOM 822 CB LEU A 53 4.744 6.738 -1.434 1.00 0.00 C ATOM 823 CG LEU A 53 3.741 7.288 -0.419 1.00 0.00 C ATOM 824 CD1 LEU A 53 2.861 6.171 0.146 1.00 0.00 C ATOM 825 CD2 LEU A 53 4.452 8.071 0.685 1.00 0.00 C ATOM 0 H LEU A 53 4.959 7.543 -3.843 1.00 0.00 H new ATOM 0 HA LEU A 53 5.806 8.542 -1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.191 6.363 -2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.253 5.884 -0.986 1.00 0.00 H new ATOM 0 HG LEU A 53 3.082 7.986 -0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.157 6.591 0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.310 5.696 -0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.488 5.430 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.716 8.451 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.150 7.415 1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.997 8.906 0.245 1.00 0.00 H new ATOM 837 N GLY A 54 7.908 7.395 -3.060 1.00 0.00 N ATOM 838 CA GLY A 54 9.267 6.905 -3.222 1.00 0.00 C ATOM 839 C GLY A 54 9.442 5.542 -2.551 1.00 0.00 C ATOM 840 O GLY A 54 10.418 5.317 -1.838 1.00 0.00 O ATOM 0 H GLY A 54 7.552 7.933 -3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.505 6.825 -4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.969 7.619 -2.791 1.00 0.00 H new ATOM 844 N VAL A 55 8.480 4.666 -2.803 1.00 0.00 N ATOM 845 CA VAL A 55 8.516 3.330 -2.232 1.00 0.00 C ATOM 846 C VAL A 55 9.723 2.574 -2.789 1.00 0.00 C ATOM 847 O VAL A 55 9.566 1.555 -3.459 1.00 0.00 O ATOM 848 CB VAL A 55 7.189 2.614 -2.493 1.00 0.00 C ATOM 849 CG1 VAL A 55 7.137 1.272 -1.760 1.00 0.00 C ATOM 850 CG2 VAL A 55 6.002 3.498 -2.104 1.00 0.00 C ATOM 0 H VAL A 55 7.671 4.855 -3.395 1.00 0.00 H new ATOM 0 HA VAL A 55 8.636 3.380 -1.150 1.00 0.00 H new ATOM 0 HB VAL A 55 7.121 2.415 -3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.184 0.784 -1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.951 0.636 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.239 1.439 -0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.072 2.965 -2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.063 3.744 -1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.024 4.416 -2.691 1.00 0.00 H new ATOM 860 N GLY A 56 10.901 3.103 -2.492 1.00 0.00 N ATOM 861 CA GLY A 56 12.134 2.491 -2.955 1.00 0.00 C ATOM 862 C GLY A 56 12.349 1.126 -2.297 1.00 0.00 C ATOM 863 O GLY A 56 11.658 0.778 -1.341 1.00 0.00 O ATOM 0 H GLY A 56 11.027 3.949 -1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.103 2.376 -4.038 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.976 3.145 -2.728 1.00 0.00 H new ATOM 867 N LYS A 57 13.310 0.390 -2.836 1.00 0.00 N ATOM 868 CA LYS A 57 13.625 -0.929 -2.314 1.00 0.00 C ATOM 869 C LYS A 57 14.304 -0.785 -0.951 1.00 0.00 C ATOM 870 O LYS A 57 14.833 0.277 -0.627 1.00 0.00 O ATOM 871 CB LYS A 57 14.446 -1.726 -3.330 1.00 0.00 C ATOM 872 CG LYS A 57 14.151 -3.223 -3.221 1.00 0.00 C ATOM 873 CD LYS A 57 15.259 -4.050 -3.876 1.00 0.00 C ATOM 874 CE LYS A 57 16.568 -3.931 -3.093 1.00 0.00 C ATOM 875 NZ LYS A 57 16.803 -5.151 -2.288 1.00 0.00 N ATOM 0 H LYS A 57 13.881 0.682 -3.629 1.00 0.00 H new ATOM 0 HA LYS A 57 12.712 -1.504 -2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 57 14.219 -1.380 -4.338 1.00 0.00 H new ATOM 0 HB3 LYS A 57 15.508 -1.548 -3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 57 14.055 -3.503 -2.172 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.196 -3.445 -3.698 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.955 -5.096 -3.927 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.412 -3.712 -4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 57 17.398 -3.777 -3.782 1.00 0.00 H new ATOM 0 HE3 LYS A 57 16.530 -3.059 -2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.695 -5.054 -1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.019 -5.281 -1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 16.860 -5.977 -2.918 1.00 0.00 H new ATOM 889 N ASP A 58 14.270 -1.869 -0.191 1.00 0.00 N ATOM 890 CA ASP A 58 14.876 -1.877 1.129 1.00 0.00 C ATOM 891 C ASP A 58 14.136 -0.887 2.032 1.00 0.00 C ATOM 892 O ASP A 58 14.543 -0.653 3.168 1.00 0.00 O ATOM 893 CB ASP A 58 16.344 -1.449 1.064 1.00 0.00 C ATOM 894 CG ASP A 58 16.947 -0.999 2.396 1.00 0.00 C ATOM 895 OD1 ASP A 58 16.931 0.194 2.734 1.00 0.00 O ATOM 896 OD2 ASP A 58 17.457 -1.944 3.111 1.00 0.00 O ATOM 0 H ASP A 58 13.832 -2.749 -0.464 1.00 0.00 H new ATOM 0 HA ASP A 58 14.812 -2.892 1.522 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.933 -2.282 0.679 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.438 -0.634 0.346 1.00 0.00 H new ATOM 902 N ALA A 59 13.062 -0.331 1.491 1.00 0.00 N ATOM 903 CA ALA A 59 12.261 0.628 2.232 1.00 0.00 C ATOM 904 C ALA A 59 11.052 -0.085 2.838 1.00 0.00 C ATOM 905 O ALA A 59 10.414 -0.905 2.179 1.00 0.00 O ATOM 906 CB ALA A 59 11.858 1.779 1.308 1.00 0.00 C ATOM 0 H ALA A 59 12.728 -0.527 0.547 1.00 0.00 H new ATOM 0 HA ALA A 59 12.836 1.056 3.053 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.257 2.499 1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.753 2.271 0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.276 1.389 0.473 1.00 0.00 H new ATOM 912 N GLU A 60 10.771 0.252 4.089 1.00 0.00 N ATOM 913 CA GLU A 60 9.648 -0.345 4.791 1.00 0.00 C ATOM 914 C GLU A 60 8.418 0.557 4.692 1.00 0.00 C ATOM 915 O GLU A 60 8.450 1.707 5.127 1.00 0.00 O ATOM 916 CB GLU A 60 10.005 -0.628 6.253 1.00 0.00 C ATOM 917 CG GLU A 60 11.244 -1.519 6.353 1.00 0.00 C ATOM 918 CD GLU A 60 11.625 -1.766 7.815 1.00 0.00 C ATOM 919 OE1 GLU A 60 10.740 -1.857 8.679 1.00 0.00 O ATOM 920 OE2 GLU A 60 12.892 -1.863 8.038 1.00 0.00 O ATOM 0 H GLU A 60 11.302 0.931 4.634 1.00 0.00 H new ATOM 0 HA GLU A 60 9.413 -1.298 4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.185 0.312 6.775 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.164 -1.112 6.749 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.053 -2.471 5.857 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.077 -1.049 5.831 1.00 0.00 H new ATOM 928 N ILE A 61 7.362 0.003 4.115 1.00 0.00 N ATOM 929 CA ILE A 61 6.122 0.743 3.952 1.00 0.00 C ATOM 930 C ILE A 61 5.054 0.151 4.874 1.00 0.00 C ATOM 931 O ILE A 61 5.284 -0.870 5.520 1.00 0.00 O ATOM 932 CB ILE A 61 5.711 0.782 2.479 1.00 0.00 C ATOM 933 CG1 ILE A 61 5.743 -0.619 1.864 1.00 0.00 C ATOM 934 CG2 ILE A 61 6.573 1.772 1.695 1.00 0.00 C ATOM 935 CD1 ILE A 61 4.650 -0.778 0.805 1.00 0.00 C ATOM 0 H ILE A 61 7.339 -0.951 3.754 1.00 0.00 H new ATOM 0 HA ILE A 61 6.257 1.783 4.248 1.00 0.00 H new ATOM 0 HB ILE A 61 4.682 1.136 2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.719 -0.800 1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.608 -1.366 2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.260 1.780 0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.455 2.770 2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.619 1.473 1.758 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.695 -1.782 0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.674 -0.620 1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.802 -0.045 0.013 1.00 0.00 H new ATOM 947 N THR A 62 3.910 0.817 4.905 1.00 0.00 N ATOM 948 CA THR A 62 2.806 0.370 5.736 1.00 0.00 C ATOM 949 C THR A 62 1.470 0.800 5.127 1.00 0.00 C ATOM 950 O THR A 62 1.423 1.719 4.310 1.00 0.00 O ATOM 951 CB THR A 62 3.030 0.911 7.151 1.00 0.00 C ATOM 952 OG1 THR A 62 4.219 0.258 7.586 1.00 0.00 O ATOM 953 CG2 THR A 62 1.961 0.434 8.136 1.00 0.00 C ATOM 0 H THR A 62 3.724 1.664 4.368 1.00 0.00 H new ATOM 0 HA THR A 62 2.768 -0.718 5.789 1.00 0.00 H new ATOM 0 HB THR A 62 3.040 2.001 7.127 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.500 -0.395 6.911 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.167 0.846 9.124 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.980 0.770 7.800 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.973 -0.655 8.187 1.00 0.00 H new ATOM 961 N ILE A 63 0.416 0.115 5.547 1.00 0.00 N ATOM 962 CA ILE A 63 -0.917 0.414 5.052 1.00 0.00 C ATOM 963 C ILE A 63 -1.922 0.285 6.197 1.00 0.00 C ATOM 964 O ILE A 63 -1.890 -0.687 6.949 1.00 0.00 O ATOM 965 CB ILE A 63 -1.248 -0.461 3.841 1.00 0.00 C ATOM 966 CG1 ILE A 63 -1.478 -1.914 4.262 1.00 0.00 C ATOM 967 CG2 ILE A 63 -0.167 -0.340 2.765 1.00 0.00 C ATOM 968 CD1 ILE A 63 -2.902 -2.362 3.927 1.00 0.00 C ATOM 0 H ILE A 63 0.458 -0.646 6.225 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.969 1.443 4.696 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.179 -0.101 3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.761 -2.561 3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.302 -2.019 5.333 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.427 -0.972 1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.094 0.697 2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.791 -0.659 3.175 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.040 -3.398 4.236 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.616 -1.728 4.453 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.066 -2.279 2.853 1.00 0.00 H new ATOM 980 N TYR A 64 -2.791 1.280 6.294 1.00 0.00 N ATOM 981 CA TYR A 64 -3.805 1.290 7.335 1.00 0.00 C ATOM 982 C TYR A 64 -5.193 1.014 6.753 1.00 0.00 C ATOM 983 O TYR A 64 -5.394 1.121 5.544 1.00 0.00 O ATOM 984 CB TYR A 64 -3.785 2.700 7.930 1.00 0.00 C ATOM 985 CG TYR A 64 -2.506 3.034 8.697 1.00 0.00 C ATOM 986 CD1 TYR A 64 -1.324 3.239 8.013 1.00 0.00 C ATOM 987 CD2 TYR A 64 -2.532 3.131 10.074 1.00 0.00 C ATOM 988 CE1 TYR A 64 -0.119 3.554 8.735 1.00 0.00 C ATOM 989 CE2 TYR A 64 -1.326 3.446 10.796 1.00 0.00 C ATOM 990 CZ TYR A 64 -0.179 3.641 10.091 1.00 0.00 C ATOM 991 OH TYR A 64 0.959 3.939 10.774 1.00 0.00 O ATOM 0 H TYR A 64 -2.814 2.085 5.669 1.00 0.00 H new ATOM 0 HA TYR A 64 -3.599 0.520 8.078 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.913 3.424 7.126 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.638 2.813 8.600 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.304 3.163 6.936 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.456 2.971 10.610 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.812 3.718 8.212 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.332 3.526 11.873 1.00 0.00 H new ATOM 0 HH TYR A 64 1.699 3.397 10.429 1.00 0.00 H new ATOM 1001 N ALA A 65 -6.113 0.663 7.640 1.00 0.00 N ATOM 1002 CA ALA A 65 -7.475 0.371 7.229 1.00 0.00 C ATOM 1003 C ALA A 65 -8.422 0.612 8.407 1.00 0.00 C ATOM 1004 O ALA A 65 -8.211 0.080 9.496 1.00 0.00 O ATOM 1005 CB ALA A 65 -7.553 -1.063 6.702 1.00 0.00 C ATOM 0 H ALA A 65 -5.941 0.574 8.642 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.782 1.033 6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.575 -1.282 6.394 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.885 -1.174 5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.255 -1.756 7.488 1.00 0.00 H new ATOM 1011 N ASP A 66 -9.444 1.414 8.148 1.00 0.00 N ATOM 1012 CA ASP A 66 -10.423 1.731 9.174 1.00 0.00 C ATOM 1013 C ASP A 66 -11.827 1.674 8.567 1.00 0.00 C ATOM 1014 O ASP A 66 -12.335 2.680 8.073 1.00 0.00 O ATOM 1015 CB ASP A 66 -10.204 3.141 9.726 1.00 0.00 C ATOM 1016 CG ASP A 66 -10.740 3.371 11.141 1.00 0.00 C ATOM 1017 OD1 ASP A 66 -10.145 4.112 11.937 1.00 0.00 O ATOM 1018 OD2 ASP A 66 -11.832 2.743 11.419 1.00 0.00 O ATOM 0 H ASP A 66 -9.615 1.853 7.244 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.314 1.006 9.981 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.135 3.356 9.719 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.678 3.856 9.053 1.00 0.00 H new ATOM 1024 N GLY A 67 -12.414 0.487 8.626 1.00 0.00 N ATOM 1025 CA GLY A 67 -13.749 0.286 8.088 1.00 0.00 C ATOM 1026 C GLY A 67 -14.362 -1.012 8.617 1.00 0.00 C ATOM 1027 O GLY A 67 -14.131 -1.390 9.764 1.00 0.00 O ATOM 0 H GLY A 67 -11.990 -0.344 9.038 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.385 1.129 8.358 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.706 0.255 6.999 1.00 0.00 H new ATOM 1031 N SER A 68 -15.133 -1.659 7.754 1.00 0.00 N ATOM 1032 CA SER A 68 -15.781 -2.907 8.119 1.00 0.00 C ATOM 1033 C SER A 68 -14.965 -4.092 7.600 1.00 0.00 C ATOM 1034 O SER A 68 -14.951 -5.157 8.215 1.00 0.00 O ATOM 1035 CB SER A 68 -17.209 -2.966 7.575 1.00 0.00 C ATOM 1036 OG SER A 68 -17.930 -4.084 8.084 1.00 0.00 O ATOM 0 H SER A 68 -15.323 -1.342 6.803 1.00 0.00 H new ATOM 0 HA SER A 68 -15.834 -2.960 9.206 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.734 -2.047 7.836 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.180 -3.019 6.487 1.00 0.00 H new ATOM 0 HG SER A 68 -18.837 -4.084 7.714 1.00 0.00 H new ATOM 1042 N ASP A 69 -14.306 -3.867 6.474 1.00 0.00 N ATOM 1043 CA ASP A 69 -13.489 -4.903 5.865 1.00 0.00 C ATOM 1044 C ASP A 69 -12.012 -4.532 6.007 1.00 0.00 C ATOM 1045 O ASP A 69 -11.143 -5.200 5.447 1.00 0.00 O ATOM 1046 CB ASP A 69 -13.801 -5.044 4.374 1.00 0.00 C ATOM 1047 CG ASP A 69 -15.229 -5.490 4.050 1.00 0.00 C ATOM 1048 OD1 ASP A 69 -15.659 -6.586 4.439 1.00 0.00 O ATOM 1049 OD2 ASP A 69 -15.919 -4.648 3.359 1.00 0.00 O ATOM 0 H ASP A 69 -14.321 -2.982 5.967 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.707 -5.844 6.370 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.617 -4.086 3.888 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.105 -5.761 3.939 1.00 0.00 H new ATOM 1055 N GLU A 70 -11.772 -3.467 6.757 1.00 0.00 N ATOM 1056 CA GLU A 70 -10.414 -2.999 6.980 1.00 0.00 C ATOM 1057 C GLU A 70 -9.445 -4.182 7.025 1.00 0.00 C ATOM 1058 O GLU A 70 -8.526 -4.268 6.213 1.00 0.00 O ATOM 1059 CB GLU A 70 -10.324 -2.167 8.260 1.00 0.00 C ATOM 1060 CG GLU A 70 -11.406 -2.579 9.259 1.00 0.00 C ATOM 1061 CD GLU A 70 -11.091 -2.048 10.660 1.00 0.00 C ATOM 1062 OE1 GLU A 70 -11.312 -0.860 10.936 1.00 0.00 O ATOM 1063 OE2 GLU A 70 -10.599 -2.918 11.475 1.00 0.00 O ATOM 0 H GLU A 70 -12.495 -2.914 7.218 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.131 -2.355 6.147 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.340 -2.293 8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.431 -1.109 8.019 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.373 -2.198 8.931 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.485 -3.666 9.287 1.00 0.00 H new ATOM 1071 N SER A 71 -9.685 -5.066 7.983 1.00 0.00 N ATOM 1072 CA SER A 71 -8.845 -6.240 8.147 1.00 0.00 C ATOM 1073 C SER A 71 -8.773 -7.018 6.830 1.00 0.00 C ATOM 1074 O SER A 71 -7.696 -7.444 6.416 1.00 0.00 O ATOM 1075 CB SER A 71 -9.369 -7.141 9.266 1.00 0.00 C ATOM 1076 OG SER A 71 -8.579 -7.036 10.449 1.00 0.00 O ATOM 0 H SER A 71 -10.450 -4.992 8.654 1.00 0.00 H new ATOM 0 HA SER A 71 -7.844 -5.909 8.423 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.401 -6.874 9.494 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.376 -8.176 8.925 1.00 0.00 H new ATOM 0 HG SER A 71 -8.946 -7.625 11.141 1.00 0.00 H new ATOM 1082 N ASP A 72 -9.932 -7.177 6.209 1.00 0.00 N ATOM 1083 CA ASP A 72 -10.013 -7.895 4.949 1.00 0.00 C ATOM 1084 C ASP A 72 -9.211 -7.142 3.885 1.00 0.00 C ATOM 1085 O ASP A 72 -8.620 -7.757 2.998 1.00 0.00 O ATOM 1086 CB ASP A 72 -11.461 -7.996 4.464 1.00 0.00 C ATOM 1087 CG ASP A 72 -11.870 -9.371 3.932 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -13.016 -9.809 4.111 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -10.943 -10.010 3.302 1.00 0.00 O ATOM 0 H ASP A 72 -10.823 -6.821 6.555 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.614 -8.897 5.106 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.124 -7.730 5.288 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.617 -7.258 3.678 1.00 0.00 H new ATOM 1095 N ALA A 73 -9.215 -5.823 4.010 1.00 0.00 N ATOM 1096 CA ALA A 73 -8.495 -4.981 3.071 1.00 0.00 C ATOM 1097 C ALA A 73 -6.990 -5.163 3.279 1.00 0.00 C ATOM 1098 O ALA A 73 -6.216 -5.105 2.324 1.00 0.00 O ATOM 1099 CB ALA A 73 -8.935 -3.526 3.248 1.00 0.00 C ATOM 0 H ALA A 73 -9.706 -5.317 4.747 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.724 -5.269 2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.395 -2.894 2.543 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.006 -3.444 3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.719 -3.202 4.266 1.00 0.00 H new ATOM 1105 N ILE A 74 -6.620 -5.380 4.532 1.00 0.00 N ATOM 1106 CA ILE A 74 -5.222 -5.572 4.877 1.00 0.00 C ATOM 1107 C ILE A 74 -4.750 -6.927 4.343 1.00 0.00 C ATOM 1108 O ILE A 74 -3.598 -7.071 3.937 1.00 0.00 O ATOM 1109 CB ILE A 74 -5.013 -5.399 6.383 1.00 0.00 C ATOM 1110 CG1 ILE A 74 -4.014 -4.276 6.671 1.00 0.00 C ATOM 1111 CG2 ILE A 74 -4.595 -6.718 7.035 1.00 0.00 C ATOM 1112 CD1 ILE A 74 -4.657 -3.174 7.515 1.00 0.00 C ATOM 0 H ILE A 74 -7.264 -5.427 5.321 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.605 -4.809 4.403 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.964 -5.108 6.828 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.147 -4.681 7.194 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.653 -3.856 5.732 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.453 -6.566 8.105 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.372 -7.466 6.874 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.662 -7.064 6.591 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.926 -2.388 7.705 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.509 -2.755 6.979 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.995 -3.592 8.463 1.00 0.00 H new ATOM 1124 N GLN A 75 -5.665 -7.886 4.362 1.00 0.00 N ATOM 1125 CA GLN A 75 -5.357 -9.223 3.885 1.00 0.00 C ATOM 1126 C GLN A 75 -5.200 -9.221 2.362 1.00 0.00 C ATOM 1127 O GLN A 75 -4.463 -10.036 1.810 1.00 0.00 O ATOM 1128 CB GLN A 75 -6.428 -10.222 4.324 1.00 0.00 C ATOM 1129 CG GLN A 75 -6.320 -10.522 5.820 1.00 0.00 C ATOM 1130 CD GLN A 75 -4.894 -10.937 6.194 1.00 0.00 C ATOM 1131 OE1 GLN A 75 -4.125 -9.928 6.591 1.00 0.00 O flip ATOM 1132 NE2 GLN A 75 -4.519 -12.095 6.124 1.00 0.00 N flip ATOM 0 H GLN A 75 -6.619 -7.763 4.700 1.00 0.00 H new ATOM 0 HA GLN A 75 -4.411 -9.536 4.328 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.417 -9.822 4.101 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.323 -11.146 3.756 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -6.608 -9.641 6.393 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -7.016 -11.317 6.086 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -5.163 -12.821 5.811 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.562 -12.337 6.379 1.00 0.00 H new ATOM 1141 N ALA A 76 -5.904 -8.295 1.728 1.00 0.00 N ATOM 1142 CA ALA A 76 -5.852 -8.175 0.281 1.00 0.00 C ATOM 1143 C ALA A 76 -4.558 -7.465 -0.121 1.00 0.00 C ATOM 1144 O ALA A 76 -3.922 -7.838 -1.106 1.00 0.00 O ATOM 1145 CB ALA A 76 -7.099 -7.442 -0.216 1.00 0.00 C ATOM 0 H ALA A 76 -6.514 -7.620 2.190 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.846 -9.160 -0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.060 -7.352 -1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.989 -8.003 0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.138 -6.448 0.229 1.00 0.00 H new ATOM 1151 N ILE A 77 -4.207 -6.455 0.660 1.00 0.00 N ATOM 1152 CA ILE A 77 -3.000 -5.690 0.398 1.00 0.00 C ATOM 1153 C ILE A 77 -1.794 -6.631 0.399 1.00 0.00 C ATOM 1154 O ILE A 77 -1.228 -6.922 -0.653 1.00 0.00 O ATOM 1155 CB ILE A 77 -2.876 -4.529 1.387 1.00 0.00 C ATOM 1156 CG1 ILE A 77 -3.508 -3.255 0.820 1.00 0.00 C ATOM 1157 CG2 ILE A 77 -1.419 -4.311 1.797 1.00 0.00 C ATOM 1158 CD1 ILE A 77 -4.869 -2.986 1.463 1.00 0.00 C ATOM 0 H ILE A 77 -4.738 -6.148 1.475 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.046 -5.233 -0.590 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.429 -4.789 2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.845 -2.407 0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.624 -3.352 -0.259 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.359 -3.480 2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.035 -5.215 2.270 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.823 -4.082 0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.296 -2.076 1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.537 -3.825 1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.746 -2.866 2.539 1.00 0.00 H new ATOM 1170 N SER A 78 -1.435 -7.078 1.594 1.00 0.00 N ATOM 1171 CA SER A 78 -0.306 -7.981 1.746 1.00 0.00 C ATOM 1172 C SER A 78 -0.285 -8.992 0.599 1.00 0.00 C ATOM 1173 O SER A 78 0.783 -9.409 0.153 1.00 0.00 O ATOM 1174 CB SER A 78 -0.359 -8.706 3.092 1.00 0.00 C ATOM 1175 OG SER A 78 0.883 -8.633 3.787 1.00 0.00 O ATOM 0 H SER A 78 -1.905 -6.832 2.465 1.00 0.00 H new ATOM 0 HA SER A 78 0.610 -7.391 1.717 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.145 -8.270 3.708 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.623 -9.751 2.931 1.00 0.00 H new ATOM 0 HG SER A 78 0.895 -7.833 4.353 1.00 0.00 H new ATOM 1181 N ASP A 79 -1.478 -9.357 0.152 1.00 0.00 N ATOM 1182 CA ASP A 79 -1.611 -10.312 -0.935 1.00 0.00 C ATOM 1183 C ASP A 79 -1.126 -9.668 -2.235 1.00 0.00 C ATOM 1184 O ASP A 79 -0.309 -10.245 -2.951 1.00 0.00 O ATOM 1185 CB ASP A 79 -3.070 -10.728 -1.128 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.277 -11.991 -1.966 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -4.151 -12.040 -2.844 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -2.484 -12.969 -1.684 1.00 0.00 O ATOM 0 H ASP A 79 -2.362 -9.008 0.523 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.016 -11.191 -0.686 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.521 -10.883 -0.148 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.607 -9.905 -1.600 1.00 0.00 H new ATOM 1194 N VAL A 80 -1.652 -8.481 -2.502 1.00 0.00 N ATOM 1195 CA VAL A 80 -1.283 -7.753 -3.704 1.00 0.00 C ATOM 1196 C VAL A 80 0.213 -7.435 -3.664 1.00 0.00 C ATOM 1197 O VAL A 80 0.895 -7.512 -4.684 1.00 0.00 O ATOM 1198 CB VAL A 80 -2.155 -6.504 -3.847 1.00 0.00 C ATOM 1199 CG1 VAL A 80 -1.742 -5.683 -5.070 1.00 0.00 C ATOM 1200 CG2 VAL A 80 -3.639 -6.875 -3.911 1.00 0.00 C ATOM 0 H VAL A 80 -2.330 -8.006 -1.907 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.462 -8.363 -4.590 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.002 -5.886 -2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.378 -4.801 -5.148 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.702 -5.373 -4.966 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.851 -6.289 -5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.236 -5.969 -4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.815 -7.524 -4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.923 -7.397 -2.997 1.00 0.00 H new ATOM 1210 N LEU A 81 0.680 -7.084 -2.475 1.00 0.00 N ATOM 1211 CA LEU A 81 2.082 -6.755 -2.289 1.00 0.00 C ATOM 1212 C LEU A 81 2.938 -7.974 -2.635 1.00 0.00 C ATOM 1213 O LEU A 81 3.849 -7.886 -3.457 1.00 0.00 O ATOM 1214 CB LEU A 81 2.324 -6.215 -0.877 1.00 0.00 C ATOM 1215 CG LEU A 81 1.768 -4.820 -0.589 1.00 0.00 C ATOM 1216 CD1 LEU A 81 1.614 -4.591 0.916 1.00 0.00 C ATOM 1217 CD2 LEU A 81 2.631 -3.740 -1.247 1.00 0.00 C ATOM 0 H LEU A 81 0.111 -7.020 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 81 2.378 -5.954 -2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.888 -6.913 -0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.398 -6.201 -0.694 1.00 0.00 H new ATOM 0 HG LEU A 81 0.773 -4.751 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.217 -3.591 1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.929 -5.332 1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.586 -4.686 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.214 -2.757 -1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.647 -3.799 -0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.647 -3.894 -2.326 1.00 0.00 H new ATOM 1229 N SER A 82 2.617 -9.086 -1.991 1.00 0.00 N ATOM 1230 CA SER A 82 3.345 -10.323 -2.220 1.00 0.00 C ATOM 1231 C SER A 82 2.996 -10.886 -3.600 1.00 0.00 C ATOM 1232 O SER A 82 3.818 -11.555 -4.226 1.00 0.00 O ATOM 1233 CB SER A 82 3.037 -11.354 -1.133 1.00 0.00 C ATOM 1234 OG SER A 82 3.245 -10.828 0.175 1.00 0.00 O ATOM 0 H SER A 82 1.861 -9.157 -1.310 1.00 0.00 H new ATOM 0 HA SER A 82 4.412 -10.104 -2.182 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.003 -11.686 -1.230 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.668 -12.231 -1.276 1.00 0.00 H new ATOM 0 HG SER A 82 2.485 -10.261 0.424 1.00 0.00 H new ATOM 1240 N LYS A 83 1.780 -10.595 -4.034 1.00 0.00 N ATOM 1241 CA LYS A 83 1.313 -11.063 -5.326 1.00 0.00 C ATOM 1242 C LYS A 83 2.278 -10.588 -6.415 1.00 0.00 C ATOM 1243 O LYS A 83 2.599 -11.337 -7.336 1.00 0.00 O ATOM 1244 CB LYS A 83 -0.137 -10.636 -5.561 1.00 0.00 C ATOM 1245 CG LYS A 83 -1.112 -11.645 -4.949 1.00 0.00 C ATOM 1246 CD LYS A 83 -2.196 -12.039 -5.954 1.00 0.00 C ATOM 1247 CE LYS A 83 -3.301 -10.981 -6.011 1.00 0.00 C ATOM 1248 NZ LYS A 83 -4.417 -11.445 -6.866 1.00 0.00 N ATOM 0 H LYS A 83 1.102 -10.039 -3.512 1.00 0.00 H new ATOM 0 HA LYS A 83 1.308 -12.153 -5.356 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.305 -9.652 -5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.325 -10.547 -6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.568 -12.533 -4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.574 -11.216 -4.060 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.753 -12.161 -6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.623 -13.002 -5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.667 -10.774 -5.005 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.899 -10.047 -6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.159 -10.716 -6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.067 -11.620 -7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.811 -12.325 -6.475 1.00 0.00 H new ATOM 1262 N GLU A 84 2.712 -9.344 -6.273 1.00 0.00 N ATOM 1263 CA GLU A 84 3.633 -8.759 -7.233 1.00 0.00 C ATOM 1264 C GLU A 84 5.073 -9.149 -6.891 1.00 0.00 C ATOM 1265 O GLU A 84 5.850 -9.506 -7.776 1.00 0.00 O ATOM 1266 CB GLU A 84 3.475 -7.239 -7.288 1.00 0.00 C ATOM 1267 CG GLU A 84 2.014 -6.833 -7.090 1.00 0.00 C ATOM 1268 CD GLU A 84 1.527 -5.956 -8.246 1.00 0.00 C ATOM 1269 OE1 GLU A 84 2.170 -5.912 -9.305 1.00 0.00 O ATOM 1270 OE2 GLU A 84 0.437 -5.305 -8.015 1.00 0.00 O ATOM 0 H GLU A 84 2.443 -8.725 -5.508 1.00 0.00 H new ATOM 0 HA GLU A 84 3.395 -9.152 -8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.092 -6.777 -6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.833 -6.867 -8.248 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.392 -7.725 -7.018 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.907 -6.293 -6.149 1.00 0.00 H new ATOM 1278 N GLY A 85 5.386 -9.066 -5.606 1.00 0.00 N ATOM 1279 CA GLY A 85 6.719 -9.405 -5.137 1.00 0.00 C ATOM 1280 C GLY A 85 7.501 -8.148 -4.753 1.00 0.00 C ATOM 1281 O GLY A 85 8.731 -8.150 -4.766 1.00 0.00 O ATOM 0 H GLY A 85 4.739 -8.769 -4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.647 -10.070 -4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.255 -9.948 -5.916 1.00 0.00 H new ATOM 1285 N LEU A 86 6.756 -7.105 -4.419 1.00 0.00 N ATOM 1286 CA LEU A 86 7.365 -5.843 -4.031 1.00 0.00 C ATOM 1287 C LEU A 86 7.904 -5.959 -2.604 1.00 0.00 C ATOM 1288 O LEU A 86 8.692 -5.123 -2.165 1.00 0.00 O ATOM 1289 CB LEU A 86 6.377 -4.690 -4.223 1.00 0.00 C ATOM 1290 CG LEU A 86 5.811 -4.521 -5.635 1.00 0.00 C ATOM 1291 CD1 LEU A 86 4.370 -4.008 -5.590 1.00 0.00 C ATOM 1292 CD2 LEU A 86 6.713 -3.621 -6.483 1.00 0.00 C ATOM 0 H LEU A 86 5.736 -7.107 -4.409 1.00 0.00 H new ATOM 0 HA LEU A 86 8.214 -5.616 -4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.545 -4.832 -3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.872 -3.762 -3.938 1.00 0.00 H new ATOM 0 HG LEU A 86 5.790 -5.500 -6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.992 -3.897 -6.606 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.747 -4.719 -5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.343 -3.042 -5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.288 -3.517 -7.481 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.788 -2.639 -6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.706 -4.065 -6.555 1.00 0.00 H new ATOM 1304 N THR A 87 7.457 -7.002 -1.919 1.00 0.00 N ATOM 1305 CA THR A 87 7.884 -7.239 -0.551 1.00 0.00 C ATOM 1306 C THR A 87 8.232 -8.715 -0.348 1.00 0.00 C ATOM 1307 O THR A 87 7.902 -9.554 -1.184 1.00 0.00 O ATOM 1308 CB THR A 87 6.779 -6.740 0.382 1.00 0.00 C ATOM 1309 OG1 THR A 87 5.844 -7.815 0.418 1.00 0.00 O ATOM 1310 CG2 THR A 87 5.986 -5.577 -0.217 1.00 0.00 C ATOM 0 H THR A 87 6.803 -7.693 -2.287 1.00 0.00 H new ATOM 0 HA THR A 87 8.796 -6.689 -0.321 1.00 0.00 H new ATOM 0 HB THR A 87 7.218 -6.429 1.330 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.094 -7.577 1.003 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.215 -5.262 0.486 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.658 -4.743 -0.416 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.519 -5.897 -1.148 1.00 0.00 H new ATOM 1318 N LYS A 88 8.894 -8.985 0.768 1.00 0.00 N ATOM 1319 CA LYS A 88 9.289 -10.345 1.091 1.00 0.00 C ATOM 1320 C LYS A 88 9.737 -11.059 -0.186 1.00 0.00 C ATOM 1321 O LYS A 88 9.684 -12.285 -0.268 1.00 0.00 O ATOM 1322 CB LYS A 88 8.166 -11.068 1.836 1.00 0.00 C ATOM 1323 CG LYS A 88 8.271 -10.837 3.345 1.00 0.00 C ATOM 1324 CD LYS A 88 8.773 -12.095 4.058 1.00 0.00 C ATOM 1325 CE LYS A 88 8.677 -11.939 5.578 1.00 0.00 C ATOM 1326 NZ LYS A 88 9.462 -12.994 6.257 1.00 0.00 N ATOM 0 H LYS A 88 9.166 -8.286 1.459 1.00 0.00 H new ATOM 0 HA LYS A 88 10.141 -10.341 1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.200 -10.714 1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.213 -12.136 1.624 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.949 -10.007 3.543 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.296 -10.554 3.742 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.186 -12.957 3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.807 -12.291 3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.045 -10.956 5.873 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.634 -11.995 5.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.386 -12.874 7.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.092 -13.928 5.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.460 -12.922 5.972 1.00 0.00 H new TER 1340 LYS A 88