USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 762 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 15 ASN : amide:sc= -0.266 K(o=-0.5,f=1.3) USER MOD Set 1.2: A 43 CYS SG : rot 179:sc= -0.235 USER MOD Set 2.1: A 37 GLN : amide:sc= -0.334 K(o=-0.23,f=-9.5!) USER MOD Set 2.2: A 40 ASN : amide:sc= 0.0998 K(o=-0.23,f=-5.1!) USER MOD Set 3.1: A 23 LYS NZ :NH3+ -175:sc= 1.28 (180deg=0.00966) USER MOD Set 3.2: A 60 TYR OH : rot 38:sc= 2.02 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0911 (180deg=-0.515) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0535) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.12) USER MOD Single : A 7 LYS NZ :NH3+ -173:sc= 1.23 (180deg=1.16) USER MOD Single : A 11 SER OG : rot 95:sc= 0.873 USER MOD Single : A 13 ASN : amide:sc= 0.748 K(o=0.75,f=-1.3) USER MOD Single : A 16 SER OG : rot 66:sc= 0.446 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.514 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -166:sc= 0.0192 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 24:sc= 0.884 USER MOD Single : A 44 LYS NZ :NH3+ -167:sc= -0.0187 (180deg=-0.207) USER MOD Single : A 51 MET CE :methyl -143:sc= 0 (180deg=-0.499) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -2.42! K(o=-2.4!,f=-1) USER MOD Single : A 62 ASN : amide:sc= 0.038 X(o=0.038,f=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0605 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 174:sc= 0.428 (180deg=0.416) USER MOD Single : A 75 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.13) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 91 HIS : no HE2:sc= 0.95 K(o=0.95,f=-6.2!) USER MOD Single : A 92 HIS : no HE2:sc= 0.263 K(o=0.26,f=-1) USER MOD Single : A 93 HIS : no HD1:sc= -0.0246 X(o=-0.025,f=-0.00065) USER MOD Single : A 94 HIS : no HD1:sc= -0.505 X(o=-0.51,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.677 8.240 5.254 1.00 0.00 N ATOM 2 CA MET A 1 20.514 7.654 6.605 1.00 0.00 C ATOM 3 C MET A 1 19.154 8.011 7.184 1.00 0.00 C ATOM 4 O MET A 1 18.961 9.125 7.667 1.00 0.00 O ATOM 5 CB MET A 1 21.624 8.136 7.546 1.00 0.00 C ATOM 6 CG MET A 1 23.006 7.635 7.168 1.00 0.00 C ATOM 7 SD MET A 1 24.289 8.184 8.314 1.00 0.00 S ATOM 8 CE MET A 1 24.200 9.966 8.108 1.00 0.00 C ATOM 0 H1 MET A 1 21.558 7.889 4.827 1.00 0.00 H new ATOM 0 H2 MET A 1 19.871 7.966 4.657 1.00 0.00 H new ATOM 0 H3 MET A 1 20.717 9.277 5.328 1.00 0.00 H new ATOM 0 HA MET A 1 20.583 6.570 6.510 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.632 9.226 7.555 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.394 7.811 8.561 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.996 6.546 7.136 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.250 7.981 6.164 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.114 10.422 8.487 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.087 10.205 7.051 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.344 10.354 8.661 1.00 0.00 H new ATOM 20 N VAL A 2 18.224 7.056 7.112 1.00 0.00 N ATOM 21 CA VAL A 2 16.869 7.214 7.649 1.00 0.00 C ATOM 22 C VAL A 2 16.230 8.532 7.209 1.00 0.00 C ATOM 23 O VAL A 2 16.187 9.505 7.966 1.00 0.00 O ATOM 24 CB VAL A 2 16.851 7.118 9.194 1.00 0.00 C ATOM 25 CG1 VAL A 2 15.424 7.086 9.722 1.00 0.00 C ATOM 26 CG2 VAL A 2 17.626 5.893 9.668 1.00 0.00 C ATOM 0 H VAL A 2 18.389 6.148 6.678 1.00 0.00 H new ATOM 0 HA VAL A 2 16.281 6.392 7.240 1.00 0.00 H new ATOM 0 HB VAL A 2 17.339 8.008 9.591 1.00 0.00 H new ATOM 0 HG11 VAL A 2 15.440 7.018 10.810 1.00 0.00 H new ATOM 0 HG12 VAL A 2 14.905 7.996 9.423 1.00 0.00 H new ATOM 0 HG13 VAL A 2 14.904 6.220 9.312 1.00 0.00 H new ATOM 0 HG21 VAL A 2 17.600 5.845 10.757 1.00 0.00 H new ATOM 0 HG22 VAL A 2 17.172 4.993 9.254 1.00 0.00 H new ATOM 0 HG23 VAL A 2 18.661 5.965 9.332 1.00 0.00 H new ATOM 36 N LYS A 3 15.754 8.566 5.971 1.00 0.00 N ATOM 37 CA LYS A 3 15.104 9.757 5.435 1.00 0.00 C ATOM 38 C LYS A 3 13.851 9.371 4.658 1.00 0.00 C ATOM 39 O LYS A 3 13.750 8.246 4.169 1.00 0.00 O ATOM 40 CB LYS A 3 16.058 10.553 4.528 1.00 0.00 C ATOM 41 CG LYS A 3 17.256 11.160 5.253 1.00 0.00 C ATOM 42 CD LYS A 3 16.827 12.105 6.368 1.00 0.00 C ATOM 43 CE LYS A 3 18.025 12.699 7.100 1.00 0.00 C ATOM 44 NZ LYS A 3 18.689 13.771 6.310 1.00 0.00 N ATOM 0 H LYS A 3 15.805 7.783 5.319 1.00 0.00 H new ATOM 0 HA LYS A 3 14.824 10.391 6.276 1.00 0.00 H new ATOM 0 HB2 LYS A 3 16.421 9.896 3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 3 15.497 11.353 4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 3 17.870 10.362 5.670 1.00 0.00 H new ATOM 0 HG3 LYS A 3 17.877 11.700 4.538 1.00 0.00 H new ATOM 0 HD2 LYS A 3 16.221 12.909 5.950 1.00 0.00 H new ATOM 0 HD3 LYS A 3 16.198 11.568 7.077 1.00 0.00 H new ATOM 0 HE2 LYS A 3 17.699 13.104 8.058 1.00 0.00 H new ATOM 0 HE3 LYS A 3 18.745 11.910 7.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 19.498 14.146 6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 19.024 13.380 5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 18.010 14.537 6.125 1.00 0.00 H new ATOM 58 N ASP A 4 12.915 10.319 4.555 1.00 0.00 N ATOM 59 CA ASP A 4 11.638 10.129 3.850 1.00 0.00 C ATOM 60 C ASP A 4 10.724 9.163 4.602 1.00 0.00 C ATOM 61 O ASP A 4 10.941 7.950 4.615 1.00 0.00 O ATOM 62 CB ASP A 4 11.849 9.650 2.408 1.00 0.00 C ATOM 63 CG ASP A 4 10.568 9.695 1.599 1.00 0.00 C ATOM 64 OD1 ASP A 4 9.674 8.865 1.839 1.00 0.00 O ATOM 65 OD2 ASP A 4 10.445 10.577 0.723 1.00 0.00 O ATOM 0 H ASP A 4 13.020 11.249 4.961 1.00 0.00 H new ATOM 0 HA ASP A 4 11.151 11.103 3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 4 12.603 10.272 1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 4 12.235 8.631 2.418 1.00 0.00 H new ATOM 70 N LYS A 5 9.709 9.719 5.246 1.00 0.00 N ATOM 71 CA LYS A 5 8.758 8.927 6.017 1.00 0.00 C ATOM 72 C LYS A 5 7.862 8.090 5.102 1.00 0.00 C ATOM 73 O LYS A 5 7.409 7.007 5.481 1.00 0.00 O ATOM 74 CB LYS A 5 7.895 9.844 6.893 1.00 0.00 C ATOM 75 CG LYS A 5 6.964 9.096 7.835 1.00 0.00 C ATOM 76 CD LYS A 5 7.742 8.318 8.884 1.00 0.00 C ATOM 77 CE LYS A 5 6.832 7.431 9.714 1.00 0.00 C ATOM 78 NZ LYS A 5 7.573 6.753 10.804 1.00 0.00 N ATOM 0 H LYS A 5 9.521 10.721 5.251 1.00 0.00 H new ATOM 0 HA LYS A 5 9.326 8.248 6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.548 10.490 7.480 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.301 10.492 6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.296 9.804 8.326 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.338 8.412 7.262 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.500 7.706 8.395 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.267 9.014 9.538 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.028 8.031 10.139 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.366 6.684 9.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.919 6.156 11.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.325 6.161 10.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.996 7.466 11.432 1.00 0.00 H new ATOM 92 N GLN A 6 7.621 8.586 3.893 1.00 0.00 N ATOM 93 CA GLN A 6 6.674 7.952 2.981 1.00 0.00 C ATOM 94 C GLN A 6 7.178 6.587 2.518 1.00 0.00 C ATOM 95 O GLN A 6 6.406 5.635 2.432 1.00 0.00 O ATOM 96 CB GLN A 6 6.403 8.855 1.774 1.00 0.00 C ATOM 97 CG GLN A 6 5.301 8.338 0.863 1.00 0.00 C ATOM 98 CD GLN A 6 3.990 8.131 1.601 1.00 0.00 C ATOM 99 OE1 GLN A 6 3.732 7.056 2.133 1.00 0.00 O ATOM 100 NE2 GLN A 6 3.153 9.156 1.637 1.00 0.00 N ATOM 0 H GLN A 6 8.068 9.424 3.522 1.00 0.00 H new ATOM 0 HA GLN A 6 5.741 7.801 3.524 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.133 9.850 2.128 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.321 8.960 1.196 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.148 9.043 0.046 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.616 7.395 0.415 1.00 0.00 H new ATOM 0 HE21 GLN A 6 3.403 10.034 1.183 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.258 9.067 2.119 1.00 0.00 H new ATOM 109 N LYS A 7 8.472 6.495 2.231 1.00 0.00 N ATOM 110 CA LYS A 7 9.073 5.232 1.805 1.00 0.00 C ATOM 111 C LYS A 7 8.831 4.133 2.833 1.00 0.00 C ATOM 112 O LYS A 7 8.636 2.969 2.480 1.00 0.00 O ATOM 113 CB LYS A 7 10.576 5.398 1.555 1.00 0.00 C ATOM 114 CG LYS A 7 10.899 6.311 0.386 1.00 0.00 C ATOM 115 CD LYS A 7 12.386 6.335 0.088 1.00 0.00 C ATOM 116 CE LYS A 7 12.690 7.246 -1.086 1.00 0.00 C ATOM 117 NZ LYS A 7 14.119 7.188 -1.488 1.00 0.00 N ATOM 0 H LYS A 7 9.125 7.277 2.285 1.00 0.00 H new ATOM 0 HA LYS A 7 8.595 4.940 0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.044 5.795 2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.016 4.418 1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.356 5.977 -0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.556 7.322 0.608 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.932 6.676 0.968 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.733 5.325 -0.131 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.065 6.964 -1.933 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.430 8.272 -0.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.305 7.911 -2.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.720 7.366 -0.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.333 6.247 -1.875 1.00 0.00 H new ATOM 131 N ALA A 8 8.816 4.510 4.101 1.00 0.00 N ATOM 132 CA ALA A 8 8.579 3.559 5.172 1.00 0.00 C ATOM 133 C ALA A 8 7.124 3.112 5.192 1.00 0.00 C ATOM 134 O ALA A 8 6.842 1.919 5.272 1.00 0.00 O ATOM 135 CB ALA A 8 8.977 4.162 6.511 1.00 0.00 C ATOM 0 H ALA A 8 8.965 5.470 4.413 1.00 0.00 H new ATOM 0 HA ALA A 8 9.196 2.679 4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.794 3.438 7.305 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.036 4.421 6.493 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.387 5.060 6.696 1.00 0.00 H new ATOM 141 N ILE A 9 6.204 4.068 5.096 1.00 0.00 N ATOM 142 CA ILE A 9 4.777 3.763 5.148 1.00 0.00 C ATOM 143 C ILE A 9 4.338 2.988 3.906 1.00 0.00 C ATOM 144 O ILE A 9 3.727 1.924 4.012 1.00 0.00 O ATOM 145 CB ILE A 9 3.924 5.047 5.268 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.342 5.857 6.500 1.00 0.00 C ATOM 147 CG2 ILE A 9 2.441 4.695 5.341 1.00 0.00 C ATOM 148 CD1 ILE A 9 3.582 7.158 6.658 1.00 0.00 C ATOM 0 H ILE A 9 6.420 5.058 4.982 1.00 0.00 H new ATOM 0 HA ILE A 9 4.618 3.150 6.035 1.00 0.00 H new ATOM 0 HB ILE A 9 4.093 5.657 4.381 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.193 5.248 7.392 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.408 6.074 6.437 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.854 5.609 5.425 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.150 4.158 4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.259 4.065 6.212 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.931 7.677 7.551 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.751 7.786 5.784 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.517 6.948 6.754 1.00 0.00 H new ATOM 160 N PHE A 10 4.681 3.520 2.737 1.00 0.00 N ATOM 161 CA PHE A 10 4.290 2.921 1.464 1.00 0.00 C ATOM 162 C PHE A 10 4.808 1.490 1.342 1.00 0.00 C ATOM 163 O PHE A 10 4.053 0.568 1.019 1.00 0.00 O ATOM 164 CB PHE A 10 4.815 3.777 0.303 1.00 0.00 C ATOM 165 CG PHE A 10 4.516 3.223 -1.064 1.00 0.00 C ATOM 166 CD1 PHE A 10 3.270 3.403 -1.643 1.00 0.00 C ATOM 167 CD2 PHE A 10 5.484 2.522 -1.769 1.00 0.00 C ATOM 168 CE1 PHE A 10 2.996 2.899 -2.900 1.00 0.00 C ATOM 169 CE2 PHE A 10 5.216 2.017 -3.027 1.00 0.00 C ATOM 170 CZ PHE A 10 3.970 2.205 -3.592 1.00 0.00 C ATOM 0 H PHE A 10 5.234 4.372 2.644 1.00 0.00 H new ATOM 0 HA PHE A 10 3.201 2.886 1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.383 4.775 0.379 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.894 3.888 0.409 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.505 3.943 -1.106 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.459 2.369 -1.329 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.021 3.047 -3.341 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.979 1.477 -3.567 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.757 1.810 -4.574 1.00 0.00 H new ATOM 180 N SER A 11 6.091 1.298 1.620 1.00 0.00 N ATOM 181 CA SER A 11 6.700 -0.016 1.479 1.00 0.00 C ATOM 182 C SER A 11 6.158 -0.981 2.531 1.00 0.00 C ATOM 183 O SER A 11 5.983 -2.168 2.259 1.00 0.00 O ATOM 184 CB SER A 11 8.223 0.084 1.579 1.00 0.00 C ATOM 185 OG SER A 11 8.844 -1.106 1.128 1.00 0.00 O ATOM 0 H SER A 11 6.725 2.030 1.942 1.00 0.00 H new ATOM 0 HA SER A 11 6.443 -0.405 0.494 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.575 0.928 0.986 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.510 0.279 2.612 1.00 0.00 H new ATOM 0 HG SER A 11 9.096 -1.007 0.186 1.00 0.00 H new ATOM 191 N GLU A 12 5.886 -0.465 3.729 1.00 0.00 N ATOM 192 CA GLU A 12 5.306 -1.277 4.793 1.00 0.00 C ATOM 193 C GLU A 12 3.944 -1.821 4.364 1.00 0.00 C ATOM 194 O GLU A 12 3.700 -3.027 4.428 1.00 0.00 O ATOM 195 CB GLU A 12 5.158 -0.451 6.072 1.00 0.00 C ATOM 196 CG GLU A 12 4.822 -1.277 7.302 1.00 0.00 C ATOM 197 CD GLU A 12 5.964 -2.175 7.724 1.00 0.00 C ATOM 198 OE1 GLU A 12 6.924 -1.670 8.342 1.00 0.00 O ATOM 199 OE2 GLU A 12 5.907 -3.390 7.447 1.00 0.00 O ATOM 0 H GLU A 12 6.058 0.507 3.985 1.00 0.00 H new ATOM 0 HA GLU A 12 5.974 -2.115 4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.086 0.091 6.253 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.377 0.295 5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.565 -0.610 8.125 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.941 -1.886 7.098 1.00 0.00 H new ATOM 206 N ASN A 13 3.066 -0.929 3.910 1.00 0.00 N ATOM 207 CA ASN A 13 1.737 -1.328 3.449 1.00 0.00 C ATOM 208 C ASN A 13 1.837 -2.305 2.287 1.00 0.00 C ATOM 209 O ASN A 13 1.159 -3.333 2.265 1.00 0.00 O ATOM 210 CB ASN A 13 0.922 -0.113 3.009 1.00 0.00 C ATOM 211 CG ASN A 13 0.447 0.749 4.162 1.00 0.00 C ATOM 212 OD1 ASN A 13 1.101 0.853 5.203 1.00 0.00 O ATOM 213 ND2 ASN A 13 -0.710 1.358 3.987 1.00 0.00 N ATOM 0 H ASN A 13 3.250 0.073 3.851 1.00 0.00 H new ATOM 0 HA ASN A 13 1.235 -1.813 4.287 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.527 0.495 2.336 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.057 -0.453 2.440 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.096 1.942 4.729 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.218 1.245 3.110 1.00 0.00 H new ATOM 220 N LEU A 14 2.685 -1.971 1.320 1.00 0.00 N ATOM 221 CA LEU A 14 2.903 -2.823 0.159 1.00 0.00 C ATOM 222 C LEU A 14 3.343 -4.216 0.597 1.00 0.00 C ATOM 223 O LEU A 14 2.821 -5.225 0.119 1.00 0.00 O ATOM 224 CB LEU A 14 3.958 -2.195 -0.756 1.00 0.00 C ATOM 225 CG LEU A 14 4.203 -2.926 -2.076 1.00 0.00 C ATOM 226 CD1 LEU A 14 2.952 -2.906 -2.939 1.00 0.00 C ATOM 227 CD2 LEU A 14 5.376 -2.304 -2.817 1.00 0.00 C ATOM 0 H LEU A 14 3.235 -1.112 1.319 1.00 0.00 H new ATOM 0 HA LEU A 14 1.967 -2.915 -0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.658 -1.171 -0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.900 -2.140 -0.211 1.00 0.00 H new ATOM 0 HG LEU A 14 4.447 -3.965 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.147 -3.431 -3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.137 -3.398 -2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.674 -1.874 -3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.537 -2.836 -3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.160 -1.256 -3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.273 -2.373 -2.202 1.00 0.00 H new ATOM 239 N ASN A 15 4.290 -4.254 1.534 1.00 0.00 N ATOM 240 CA ASN A 15 4.819 -5.511 2.061 1.00 0.00 C ATOM 241 C ASN A 15 3.711 -6.365 2.658 1.00 0.00 C ATOM 242 O ASN A 15 3.674 -7.576 2.451 1.00 0.00 O ATOM 243 CB ASN A 15 5.876 -5.243 3.136 1.00 0.00 C ATOM 244 CG ASN A 15 7.196 -5.925 2.839 1.00 0.00 C ATOM 245 OD1 ASN A 15 7.382 -7.109 3.129 1.00 0.00 O ATOM 246 ND2 ASN A 15 8.131 -5.175 2.277 1.00 0.00 N ATOM 0 H ASN A 15 4.709 -3.421 1.946 1.00 0.00 H new ATOM 0 HA ASN A 15 5.273 -6.048 1.228 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.038 -4.168 3.221 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.503 -5.587 4.101 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.047 -5.573 2.068 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.936 -4.199 2.053 1.00 0.00 H new ATOM 253 N SER A 16 2.804 -5.722 3.388 1.00 0.00 N ATOM 254 CA SER A 16 1.720 -6.423 4.066 1.00 0.00 C ATOM 255 C SER A 16 0.882 -7.240 3.080 1.00 0.00 C ATOM 256 O SER A 16 0.672 -8.437 3.279 1.00 0.00 O ATOM 257 CB SER A 16 0.833 -5.424 4.813 1.00 0.00 C ATOM 258 OG SER A 16 1.575 -4.683 5.772 1.00 0.00 O ATOM 0 H SER A 16 2.799 -4.711 3.525 1.00 0.00 H new ATOM 0 HA SER A 16 2.163 -7.115 4.783 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.373 -4.740 4.100 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.023 -5.957 5.311 1.00 0.00 H new ATOM 0 HG SER A 16 2.230 -4.117 5.313 1.00 0.00 H new ATOM 264 N TYR A 17 0.430 -6.594 2.008 1.00 0.00 N ATOM 265 CA TYR A 17 -0.415 -7.256 1.017 1.00 0.00 C ATOM 266 C TYR A 17 0.364 -8.322 0.256 1.00 0.00 C ATOM 267 O TYR A 17 -0.136 -9.427 0.047 1.00 0.00 O ATOM 268 CB TYR A 17 -1.005 -6.237 0.042 1.00 0.00 C ATOM 269 CG TYR A 17 -2.043 -5.329 0.667 1.00 0.00 C ATOM 270 CD1 TYR A 17 -1.682 -4.126 1.258 1.00 0.00 C ATOM 271 CD2 TYR A 17 -3.388 -5.676 0.658 1.00 0.00 C ATOM 272 CE1 TYR A 17 -2.629 -3.297 1.828 1.00 0.00 C ATOM 273 CE2 TYR A 17 -4.342 -4.853 1.226 1.00 0.00 C ATOM 274 CZ TYR A 17 -3.957 -3.663 1.805 1.00 0.00 C ATOM 275 OH TYR A 17 -4.906 -2.841 2.372 1.00 0.00 O ATOM 0 H TYR A 17 0.634 -5.616 1.803 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.232 -7.744 1.549 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.198 -5.627 -0.365 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.457 -6.768 -0.796 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.643 -3.833 1.273 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.693 -6.605 0.199 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.330 -2.367 2.289 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -5.383 -5.141 1.216 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.793 -3.246 2.269 1.00 0.00 H new ATOM 285 N ILE A 18 1.591 -7.993 -0.139 1.00 0.00 N ATOM 286 CA ILE A 18 2.431 -8.932 -0.877 1.00 0.00 C ATOM 287 C ILE A 18 2.695 -10.188 -0.053 1.00 0.00 C ATOM 288 O ILE A 18 2.531 -11.305 -0.537 1.00 0.00 O ATOM 289 CB ILE A 18 3.779 -8.295 -1.284 1.00 0.00 C ATOM 290 CG1 ILE A 18 3.550 -7.126 -2.244 1.00 0.00 C ATOM 291 CG2 ILE A 18 4.698 -9.333 -1.918 1.00 0.00 C ATOM 292 CD1 ILE A 18 4.817 -6.379 -2.598 1.00 0.00 C ATOM 0 H ILE A 18 2.024 -7.087 0.039 1.00 0.00 H new ATOM 0 HA ILE A 18 1.887 -9.200 -1.783 1.00 0.00 H new ATOM 0 HB ILE A 18 4.263 -7.915 -0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.092 -7.502 -3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.841 -6.431 -1.795 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.641 -8.862 -2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.889 -10.134 -1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.222 -9.746 -2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.580 -5.564 -3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.266 -5.973 -1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.520 -7.061 -3.077 1.00 0.00 H new ATOM 304 N ALA A 19 3.073 -9.999 1.204 1.00 0.00 N ATOM 305 CA ALA A 19 3.425 -11.113 2.072 1.00 0.00 C ATOM 306 C ALA A 19 2.199 -11.931 2.470 1.00 0.00 C ATOM 307 O ALA A 19 2.325 -13.067 2.927 1.00 0.00 O ATOM 308 CB ALA A 19 4.144 -10.603 3.306 1.00 0.00 C ATOM 0 H ALA A 19 3.144 -9.082 1.646 1.00 0.00 H new ATOM 0 HA ALA A 19 4.090 -11.773 1.515 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.403 -11.444 3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.053 -10.080 3.008 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.493 -9.918 3.849 1.00 0.00 H new ATOM 314 N LYS A 20 1.017 -11.353 2.300 1.00 0.00 N ATOM 315 CA LYS A 20 -0.225 -12.046 2.617 1.00 0.00 C ATOM 316 C LYS A 20 -0.645 -12.980 1.488 1.00 0.00 C ATOM 317 O LYS A 20 -1.487 -13.858 1.671 1.00 0.00 O ATOM 318 CB LYS A 20 -1.336 -11.043 2.921 1.00 0.00 C ATOM 319 CG LYS A 20 -1.402 -10.652 4.389 1.00 0.00 C ATOM 320 CD LYS A 20 -2.602 -9.773 4.698 1.00 0.00 C ATOM 321 CE LYS A 20 -2.706 -9.508 6.192 1.00 0.00 C ATOM 322 NZ LYS A 20 -3.920 -8.723 6.545 1.00 0.00 N ATOM 0 H LYS A 20 0.892 -10.405 1.944 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.049 -12.653 3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.183 -10.147 2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.294 -11.469 2.621 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.447 -11.553 5.001 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.488 -10.125 4.664 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.514 -8.828 4.162 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.513 -10.256 4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.722 -10.458 6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.819 -8.970 6.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.946 -8.568 7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.894 -7.805 6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.769 -9.247 6.252 1.00 0.00 H new ATOM 336 N SER A 21 -0.053 -12.785 0.324 1.00 0.00 N ATOM 337 CA SER A 21 -0.289 -13.666 -0.805 1.00 0.00 C ATOM 338 C SER A 21 0.868 -14.651 -0.940 1.00 0.00 C ATOM 339 O SER A 21 2.030 -14.288 -0.742 1.00 0.00 O ATOM 340 CB SER A 21 -0.441 -12.850 -2.093 1.00 0.00 C ATOM 341 OG SER A 21 -0.748 -13.687 -3.198 1.00 0.00 O ATOM 0 H SER A 21 0.597 -12.022 0.135 1.00 0.00 H new ATOM 0 HA SER A 21 -1.212 -14.221 -0.635 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.229 -12.108 -1.966 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.481 -12.304 -2.292 1.00 0.00 H new ATOM 0 HG SER A 21 -0.841 -13.141 -4.006 1.00 0.00 H new ATOM 347 N GLU A 22 0.558 -15.899 -1.246 1.00 0.00 N ATOM 348 CA GLU A 22 1.598 -16.884 -1.483 1.00 0.00 C ATOM 349 C GLU A 22 1.780 -17.072 -2.982 1.00 0.00 C ATOM 350 O GLU A 22 1.041 -17.818 -3.629 1.00 0.00 O ATOM 351 CB GLU A 22 1.275 -18.206 -0.784 1.00 0.00 C ATOM 352 CG GLU A 22 2.440 -19.181 -0.771 1.00 0.00 C ATOM 353 CD GLU A 22 2.204 -20.362 0.148 1.00 0.00 C ATOM 354 OE1 GLU A 22 1.498 -21.308 -0.258 1.00 0.00 O ATOM 355 OE2 GLU A 22 2.722 -20.352 1.284 1.00 0.00 O ATOM 0 H GLU A 22 -0.395 -16.251 -1.335 1.00 0.00 H new ATOM 0 HA GLU A 22 2.536 -16.525 -1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.971 -18.001 0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.425 -18.673 -1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.616 -19.544 -1.784 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.343 -18.657 -0.458 1.00 0.00 H new ATOM 362 N LYS A 23 2.742 -16.340 -3.524 1.00 0.00 N ATOM 363 CA LYS A 23 3.032 -16.343 -4.946 1.00 0.00 C ATOM 364 C LYS A 23 4.435 -15.778 -5.140 1.00 0.00 C ATOM 365 O LYS A 23 5.129 -15.517 -4.155 1.00 0.00 O ATOM 366 CB LYS A 23 1.997 -15.496 -5.698 1.00 0.00 C ATOM 367 CG LYS A 23 1.827 -15.885 -7.158 1.00 0.00 C ATOM 368 CD LYS A 23 0.784 -15.017 -7.846 1.00 0.00 C ATOM 369 CE LYS A 23 0.516 -15.495 -9.262 1.00 0.00 C ATOM 370 NZ LYS A 23 -0.412 -14.594 -9.994 1.00 0.00 N ATOM 0 H LYS A 23 3.347 -15.723 -2.983 1.00 0.00 H new ATOM 0 HA LYS A 23 2.982 -17.357 -5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.034 -15.584 -5.194 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.291 -14.448 -5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.782 -15.788 -7.675 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.533 -16.932 -7.225 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.143 -15.035 -7.272 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.126 -13.982 -7.868 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.459 -15.562 -9.805 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.094 -16.500 -9.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.632 -15.004 -10.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.290 -14.482 -9.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.036 -13.664 -10.123 1.00 0.00 H new ATOM 384 N THR A 24 4.861 -15.576 -6.376 1.00 0.00 N ATOM 385 CA THR A 24 6.192 -15.052 -6.619 1.00 0.00 C ATOM 386 C THR A 24 6.152 -13.565 -6.954 1.00 0.00 C ATOM 387 O THR A 24 5.278 -13.104 -7.694 1.00 0.00 O ATOM 388 CB THR A 24 6.899 -15.822 -7.748 1.00 0.00 C ATOM 389 OG1 THR A 24 6.009 -16.011 -8.856 1.00 0.00 O ATOM 390 CG2 THR A 24 7.394 -17.169 -7.249 1.00 0.00 C ATOM 0 H THR A 24 4.312 -15.764 -7.215 1.00 0.00 H new ATOM 0 HA THR A 24 6.759 -15.185 -5.698 1.00 0.00 H new ATOM 0 HB THR A 24 7.756 -15.234 -8.077 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.472 -16.501 -9.568 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.891 -17.698 -8.062 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.098 -17.018 -6.431 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.549 -17.759 -6.895 1.00 0.00 H new ATOM 398 N GLN A 25 7.096 -12.819 -6.394 1.00 0.00 N ATOM 399 CA GLN A 25 7.217 -11.392 -6.668 1.00 0.00 C ATOM 400 C GLN A 25 7.491 -11.153 -8.146 1.00 0.00 C ATOM 401 O GLN A 25 7.052 -10.154 -8.717 1.00 0.00 O ATOM 402 CB GLN A 25 8.341 -10.792 -5.831 1.00 0.00 C ATOM 403 CG GLN A 25 8.044 -10.771 -4.341 1.00 0.00 C ATOM 404 CD GLN A 25 9.211 -10.252 -3.527 1.00 0.00 C ATOM 405 OE1 GLN A 25 10.070 -11.020 -3.099 1.00 0.00 O ATOM 406 NE2 GLN A 25 9.251 -8.949 -3.303 1.00 0.00 N ATOM 0 H GLN A 25 7.793 -13.181 -5.743 1.00 0.00 H new ATOM 0 HA GLN A 25 6.276 -10.909 -6.404 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.255 -11.361 -6.003 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.531 -9.774 -6.170 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.170 -10.147 -4.156 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.792 -11.778 -4.009 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.519 -8.345 -3.676 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.014 -8.548 -2.758 1.00 0.00 H new ATOM 415 N LEU A 26 8.233 -12.075 -8.746 1.00 0.00 N ATOM 416 CA LEU A 26 8.525 -12.038 -10.169 1.00 0.00 C ATOM 417 C LEU A 26 7.238 -11.954 -10.987 1.00 0.00 C ATOM 418 O LEU A 26 7.138 -11.144 -11.904 1.00 0.00 O ATOM 419 CB LEU A 26 9.314 -13.290 -10.558 1.00 0.00 C ATOM 420 CG LEU A 26 10.408 -13.073 -11.601 1.00 0.00 C ATOM 421 CD1 LEU A 26 11.295 -14.300 -11.702 1.00 0.00 C ATOM 422 CD2 LEU A 26 9.814 -12.739 -12.963 1.00 0.00 C ATOM 0 H LEU A 26 8.648 -12.869 -8.258 1.00 0.00 H new ATOM 0 HA LEU A 26 9.120 -11.150 -10.382 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.769 -13.707 -9.659 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.616 -14.036 -10.937 1.00 0.00 H new ATOM 0 HG LEU A 26 11.013 -12.225 -11.279 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.069 -14.129 -12.450 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.760 -14.493 -10.735 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.693 -15.161 -11.994 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.618 -12.590 -13.684 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.177 -13.560 -13.294 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.221 -11.828 -12.888 1.00 0.00 H new ATOM 434 N GLU A 27 6.259 -12.789 -10.646 1.00 0.00 N ATOM 435 CA GLU A 27 4.975 -12.801 -11.327 1.00 0.00 C ATOM 436 C GLU A 27 4.323 -11.419 -11.274 1.00 0.00 C ATOM 437 O GLU A 27 3.829 -10.908 -12.281 1.00 0.00 O ATOM 438 CB GLU A 27 4.080 -13.836 -10.653 1.00 0.00 C ATOM 439 CG GLU A 27 3.173 -14.600 -11.595 1.00 0.00 C ATOM 440 CD GLU A 27 2.159 -13.726 -12.309 1.00 0.00 C ATOM 441 OE1 GLU A 27 1.260 -13.175 -11.638 1.00 0.00 O ATOM 442 OE2 GLU A 27 2.240 -13.608 -13.548 1.00 0.00 O ATOM 0 H GLU A 27 6.337 -13.472 -9.892 1.00 0.00 H new ATOM 0 HA GLU A 27 5.119 -13.060 -12.376 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.710 -14.548 -10.120 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.465 -13.333 -9.907 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.784 -15.113 -12.338 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.644 -15.369 -11.032 1.00 0.00 H new ATOM 449 N ILE A 28 4.344 -10.813 -10.095 1.00 0.00 N ATOM 450 CA ILE A 28 3.758 -9.496 -9.899 1.00 0.00 C ATOM 451 C ILE A 28 4.496 -8.449 -10.733 1.00 0.00 C ATOM 452 O ILE A 28 3.877 -7.659 -11.446 1.00 0.00 O ATOM 453 CB ILE A 28 3.797 -9.090 -8.408 1.00 0.00 C ATOM 454 CG1 ILE A 28 3.153 -10.184 -7.546 1.00 0.00 C ATOM 455 CG2 ILE A 28 3.088 -7.757 -8.197 1.00 0.00 C ATOM 456 CD1 ILE A 28 3.224 -9.914 -6.056 1.00 0.00 C ATOM 0 H ILE A 28 4.763 -11.215 -9.257 1.00 0.00 H new ATOM 0 HA ILE A 28 2.718 -9.544 -10.223 1.00 0.00 H new ATOM 0 HB ILE A 28 4.838 -8.974 -8.106 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.108 -10.293 -7.836 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.643 -11.134 -7.757 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.126 -7.488 -7.141 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.582 -6.985 -8.786 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.048 -7.844 -8.512 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.748 -10.732 -5.515 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.267 -9.835 -5.750 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.708 -8.981 -5.830 1.00 0.00 H new ATOM 468 N ALA A 29 5.825 -8.469 -10.655 1.00 0.00 N ATOM 469 CA ALA A 29 6.656 -7.524 -11.395 1.00 0.00 C ATOM 470 C ALA A 29 6.468 -7.691 -12.899 1.00 0.00 C ATOM 471 O ALA A 29 6.417 -6.711 -13.644 1.00 0.00 O ATOM 472 CB ALA A 29 8.122 -7.704 -11.023 1.00 0.00 C ATOM 0 H ALA A 29 6.350 -9.132 -10.085 1.00 0.00 H new ATOM 0 HA ALA A 29 6.345 -6.515 -11.124 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.729 -6.993 -11.583 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.250 -7.529 -9.955 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.437 -8.719 -11.265 1.00 0.00 H new ATOM 478 N LYS A 30 6.355 -8.941 -13.333 1.00 0.00 N ATOM 479 CA LYS A 30 6.131 -9.265 -14.733 1.00 0.00 C ATOM 480 C LYS A 30 4.790 -8.701 -15.204 1.00 0.00 C ATOM 481 O LYS A 30 4.683 -8.173 -16.315 1.00 0.00 O ATOM 482 CB LYS A 30 6.201 -10.794 -14.917 1.00 0.00 C ATOM 483 CG LYS A 30 5.803 -11.312 -16.295 1.00 0.00 C ATOM 484 CD LYS A 30 4.296 -11.489 -16.406 1.00 0.00 C ATOM 485 CE LYS A 30 3.878 -12.009 -17.768 1.00 0.00 C ATOM 486 NZ LYS A 30 2.401 -12.048 -17.899 1.00 0.00 N ATOM 0 H LYS A 30 6.416 -9.756 -12.723 1.00 0.00 H new ATOM 0 HA LYS A 30 6.907 -8.807 -15.346 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.219 -11.121 -14.706 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.556 -11.261 -14.173 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.147 -10.616 -17.060 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.298 -12.264 -16.485 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.956 -12.180 -15.635 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.805 -10.534 -16.217 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.298 -11.373 -18.547 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.285 -13.009 -17.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.145 -12.408 -18.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.004 -12.674 -17.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.016 -11.089 -17.779 1.00 0.00 H new ATOM 500 N SER A 31 3.773 -8.812 -14.356 1.00 0.00 N ATOM 501 CA SER A 31 2.449 -8.292 -14.674 1.00 0.00 C ATOM 502 C SER A 31 2.485 -6.767 -14.781 1.00 0.00 C ATOM 503 O SER A 31 1.856 -6.181 -15.666 1.00 0.00 O ATOM 504 CB SER A 31 1.433 -8.734 -13.614 1.00 0.00 C ATOM 505 OG SER A 31 0.118 -8.327 -13.957 1.00 0.00 O ATOM 0 H SER A 31 3.841 -9.258 -13.441 1.00 0.00 H new ATOM 0 HA SER A 31 2.140 -8.696 -15.638 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.464 -9.818 -13.508 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.706 -8.311 -12.647 1.00 0.00 H new ATOM 0 HG SER A 31 -0.467 -8.419 -13.176 1.00 0.00 H new ATOM 511 N ILE A 32 3.227 -6.132 -13.879 1.00 0.00 N ATOM 512 CA ILE A 32 3.414 -4.684 -13.917 1.00 0.00 C ATOM 513 C ILE A 32 4.158 -4.283 -15.186 1.00 0.00 C ATOM 514 O ILE A 32 3.785 -3.324 -15.869 1.00 0.00 O ATOM 515 CB ILE A 32 4.203 -4.185 -12.687 1.00 0.00 C ATOM 516 CG1 ILE A 32 3.486 -4.579 -11.392 1.00 0.00 C ATOM 517 CG2 ILE A 32 4.392 -2.674 -12.750 1.00 0.00 C ATOM 518 CD1 ILE A 32 4.281 -4.262 -10.144 1.00 0.00 C ATOM 0 H ILE A 32 3.710 -6.598 -13.111 1.00 0.00 H new ATOM 0 HA ILE A 32 2.426 -4.224 -13.906 1.00 0.00 H new ATOM 0 HB ILE A 32 5.185 -4.657 -12.696 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.528 -4.062 -11.344 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.271 -5.647 -11.415 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.950 -2.340 -11.875 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.944 -2.414 -13.653 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.418 -2.186 -12.767 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.714 -4.567 -9.264 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.229 -4.800 -10.170 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.474 -3.190 -10.098 1.00 0.00 H new ATOM 530 N GLY A 33 5.206 -5.034 -15.499 1.00 0.00 N ATOM 531 CA GLY A 33 6.002 -4.751 -16.675 1.00 0.00 C ATOM 532 C GLY A 33 7.389 -4.266 -16.319 1.00 0.00 C ATOM 533 O GLY A 33 8.039 -3.585 -17.113 1.00 0.00 O ATOM 0 H GLY A 33 5.519 -5.838 -14.955 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.079 -5.651 -17.286 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.499 -3.997 -17.280 1.00 0.00 H new ATOM 537 N VAL A 34 7.845 -4.622 -15.126 1.00 0.00 N ATOM 538 CA VAL A 34 9.150 -4.195 -14.642 1.00 0.00 C ATOM 539 C VAL A 34 10.004 -5.399 -14.266 1.00 0.00 C ATOM 540 O VAL A 34 9.532 -6.539 -14.299 1.00 0.00 O ATOM 541 CB VAL A 34 9.032 -3.261 -13.417 1.00 0.00 C ATOM 542 CG1 VAL A 34 8.340 -1.963 -13.796 1.00 0.00 C ATOM 543 CG2 VAL A 34 8.296 -3.946 -12.273 1.00 0.00 C ATOM 0 H VAL A 34 7.327 -5.209 -14.472 1.00 0.00 H new ATOM 0 HA VAL A 34 9.624 -3.644 -15.455 1.00 0.00 H new ATOM 0 HB VAL A 34 10.041 -3.027 -13.076 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.267 -1.320 -12.919 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.916 -1.456 -14.571 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.340 -2.180 -14.171 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.228 -3.265 -11.425 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.293 -4.221 -12.599 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.840 -4.843 -11.976 1.00 0.00 H new ATOM 553 N SER A 35 11.256 -5.148 -13.918 1.00 0.00 N ATOM 554 CA SER A 35 12.160 -6.209 -13.501 1.00 0.00 C ATOM 555 C SER A 35 12.002 -6.495 -12.006 1.00 0.00 C ATOM 556 O SER A 35 11.727 -5.590 -11.213 1.00 0.00 O ATOM 557 CB SER A 35 13.602 -5.817 -13.830 1.00 0.00 C ATOM 558 OG SER A 35 13.759 -5.608 -15.225 1.00 0.00 O ATOM 0 H SER A 35 11.671 -4.216 -13.916 1.00 0.00 H new ATOM 0 HA SER A 35 11.911 -7.121 -14.044 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.870 -4.910 -13.289 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.282 -6.600 -13.496 1.00 0.00 H new ATOM 0 HG SER A 35 14.687 -5.357 -15.416 1.00 0.00 H new ATOM 564 N PRO A 36 12.175 -7.765 -11.607 1.00 0.00 N ATOM 565 CA PRO A 36 11.996 -8.200 -10.217 1.00 0.00 C ATOM 566 C PRO A 36 12.840 -7.397 -9.225 1.00 0.00 C ATOM 567 O PRO A 36 12.387 -7.108 -8.121 1.00 0.00 O ATOM 568 CB PRO A 36 12.443 -9.664 -10.236 1.00 0.00 C ATOM 569 CG PRO A 36 12.271 -10.097 -11.647 1.00 0.00 C ATOM 570 CD PRO A 36 12.551 -8.886 -12.487 1.00 0.00 C ATOM 0 HA PRO A 36 10.968 -8.056 -9.885 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.480 -9.765 -9.915 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.840 -10.270 -9.560 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.955 -10.909 -11.892 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.261 -10.468 -11.821 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.600 -8.833 -12.779 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.964 -8.890 -13.406 1.00 0.00 H new ATOM 578 N GLN A 37 14.058 -7.026 -9.617 1.00 0.00 N ATOM 579 CA GLN A 37 14.936 -6.250 -8.740 1.00 0.00 C ATOM 580 C GLN A 37 14.425 -4.826 -8.551 1.00 0.00 C ATOM 581 O GLN A 37 14.649 -4.212 -7.507 1.00 0.00 O ATOM 582 CB GLN A 37 16.364 -6.226 -9.282 1.00 0.00 C ATOM 583 CG GLN A 37 17.126 -7.522 -9.046 1.00 0.00 C ATOM 584 CD GLN A 37 17.451 -7.761 -7.581 1.00 0.00 C ATOM 585 OE1 GLN A 37 16.735 -7.318 -6.683 1.00 0.00 O ATOM 586 NE2 GLN A 37 18.534 -8.474 -7.328 1.00 0.00 N ATOM 0 H GLN A 37 14.458 -7.248 -10.529 1.00 0.00 H new ATOM 0 HA GLN A 37 14.936 -6.742 -7.767 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.334 -6.021 -10.352 1.00 0.00 H new ATOM 0 HB3 GLN A 37 16.907 -5.404 -8.815 1.00 0.00 H new ATOM 0 HG2 GLN A 37 16.536 -8.358 -9.423 1.00 0.00 H new ATOM 0 HG3 GLN A 37 18.053 -7.502 -9.620 1.00 0.00 H new ATOM 0 HE21 GLN A 37 19.104 -8.825 -8.097 1.00 0.00 H new ATOM 0 HE22 GLN A 37 18.800 -8.673 -6.364 1.00 0.00 H new ATOM 595 N THR A 38 13.720 -4.312 -9.549 1.00 0.00 N ATOM 596 CA THR A 38 13.153 -2.977 -9.460 1.00 0.00 C ATOM 597 C THR A 38 11.995 -3.006 -8.475 1.00 0.00 C ATOM 598 O THR A 38 11.810 -2.098 -7.664 1.00 0.00 O ATOM 599 CB THR A 38 12.662 -2.488 -10.836 1.00 0.00 C ATOM 600 OG1 THR A 38 13.657 -2.779 -11.828 1.00 0.00 O ATOM 601 CG2 THR A 38 12.388 -0.991 -10.818 1.00 0.00 C ATOM 0 H THR A 38 13.528 -4.798 -10.425 1.00 0.00 H new ATOM 0 HA THR A 38 13.923 -2.285 -9.118 1.00 0.00 H new ATOM 0 HB THR A 38 11.733 -3.005 -11.075 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.345 -2.470 -12.704 1.00 0.00 H new ATOM 0 HG21 THR A 38 12.043 -0.672 -11.802 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.621 -0.770 -10.075 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.303 -0.457 -10.564 1.00 0.00 H new ATOM 609 N PHE A 39 11.249 -4.096 -8.539 1.00 0.00 N ATOM 610 CA PHE A 39 10.161 -4.359 -7.614 1.00 0.00 C ATOM 611 C PHE A 39 10.718 -4.599 -6.212 1.00 0.00 C ATOM 612 O PHE A 39 10.141 -4.178 -5.209 1.00 0.00 O ATOM 613 CB PHE A 39 9.394 -5.589 -8.102 1.00 0.00 C ATOM 614 CG PHE A 39 8.131 -5.875 -7.343 1.00 0.00 C ATOM 615 CD1 PHE A 39 7.001 -5.100 -7.536 1.00 0.00 C ATOM 616 CD2 PHE A 39 8.072 -6.929 -6.443 1.00 0.00 C ATOM 617 CE1 PHE A 39 5.835 -5.367 -6.845 1.00 0.00 C ATOM 618 CE2 PHE A 39 6.908 -7.200 -5.749 1.00 0.00 C ATOM 619 CZ PHE A 39 5.787 -6.418 -5.952 1.00 0.00 C ATOM 0 H PHE A 39 11.382 -4.827 -9.238 1.00 0.00 H new ATOM 0 HA PHE A 39 9.488 -3.502 -7.572 1.00 0.00 H new ATOM 0 HB2 PHE A 39 9.148 -5.454 -9.155 1.00 0.00 H new ATOM 0 HB3 PHE A 39 10.047 -6.459 -8.037 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.031 -4.277 -8.235 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.945 -7.544 -6.283 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.961 -4.753 -7.004 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.875 -8.022 -5.049 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.875 -6.629 -5.413 1.00 0.00 H new ATOM 629 N ASN A 40 11.858 -5.272 -6.170 1.00 0.00 N ATOM 630 CA ASN A 40 12.538 -5.597 -4.921 1.00 0.00 C ATOM 631 C ASN A 40 12.978 -4.330 -4.195 1.00 0.00 C ATOM 632 O ASN A 40 12.794 -4.209 -2.987 1.00 0.00 O ATOM 633 CB ASN A 40 13.744 -6.499 -5.205 1.00 0.00 C ATOM 634 CG ASN A 40 14.461 -6.960 -3.947 1.00 0.00 C ATOM 635 OD1 ASN A 40 13.863 -7.086 -2.879 1.00 0.00 O ATOM 636 ND2 ASN A 40 15.751 -7.237 -4.076 1.00 0.00 N ATOM 0 H ASN A 40 12.341 -5.610 -7.003 1.00 0.00 H new ATOM 0 HA ASN A 40 11.841 -6.129 -4.274 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.411 -7.373 -5.766 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.449 -5.962 -5.840 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.284 -7.568 -3.272 1.00 0.00 H new ATOM 0 HD22 ASN A 40 16.210 -7.119 -4.979 1.00 0.00 H new ATOM 643 N THR A 41 13.545 -3.376 -4.931 1.00 0.00 N ATOM 644 CA THR A 41 13.985 -2.120 -4.335 1.00 0.00 C ATOM 645 C THR A 41 12.807 -1.324 -3.763 1.00 0.00 C ATOM 646 O THR A 41 12.950 -0.628 -2.755 1.00 0.00 O ATOM 647 CB THR A 41 14.780 -1.257 -5.341 1.00 0.00 C ATOM 648 OG1 THR A 41 14.181 -1.322 -6.643 1.00 0.00 O ATOM 649 CG2 THR A 41 16.227 -1.721 -5.425 1.00 0.00 C ATOM 0 H THR A 41 13.709 -3.449 -5.935 1.00 0.00 H new ATOM 0 HA THR A 41 14.651 -2.379 -3.512 1.00 0.00 H new ATOM 0 HB THR A 41 14.759 -0.226 -4.987 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.234 -1.557 -6.556 1.00 0.00 H new ATOM 0 HG21 THR A 41 16.768 -1.099 -6.139 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.694 -1.636 -4.444 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.257 -2.760 -5.753 1.00 0.00 H new ATOM 657 N TRP A 42 11.638 -1.447 -4.390 1.00 0.00 N ATOM 658 CA TRP A 42 10.429 -0.810 -3.877 1.00 0.00 C ATOM 659 C TRP A 42 9.985 -1.503 -2.596 1.00 0.00 C ATOM 660 O TRP A 42 9.600 -0.857 -1.621 1.00 0.00 O ATOM 661 CB TRP A 42 9.293 -0.881 -4.902 1.00 0.00 C ATOM 662 CG TRP A 42 9.581 -0.183 -6.197 1.00 0.00 C ATOM 663 CD1 TRP A 42 10.438 0.858 -6.405 1.00 0.00 C ATOM 664 CD2 TRP A 42 8.988 -0.476 -7.466 1.00 0.00 C ATOM 665 NE1 TRP A 42 10.416 1.228 -7.729 1.00 0.00 N ATOM 666 CE2 TRP A 42 9.532 0.425 -8.398 1.00 0.00 C ATOM 667 CE3 TRP A 42 8.049 -1.416 -7.903 1.00 0.00 C ATOM 668 CZ2 TRP A 42 9.167 0.418 -9.740 1.00 0.00 C ATOM 669 CZ3 TRP A 42 7.689 -1.422 -9.237 1.00 0.00 C ATOM 670 CH2 TRP A 42 8.247 -0.511 -10.140 1.00 0.00 C ATOM 0 H TRP A 42 11.504 -1.979 -5.250 1.00 0.00 H new ATOM 0 HA TRP A 42 10.658 0.237 -3.677 1.00 0.00 H new ATOM 0 HB2 TRP A 42 9.072 -1.928 -5.109 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.395 -0.447 -4.462 1.00 0.00 H new ATOM 0 HD1 TRP A 42 11.044 1.323 -5.642 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.968 1.978 -8.145 1.00 0.00 H new ATOM 0 HE3 TRP A 42 7.614 -2.123 -7.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.594 1.120 -10.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.965 -2.142 -9.588 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.944 -0.542 -11.176 1.00 0.00 H new ATOM 681 N CYS A 43 10.066 -2.827 -2.606 1.00 0.00 N ATOM 682 CA CYS A 43 9.635 -3.641 -1.479 1.00 0.00 C ATOM 683 C CYS A 43 10.601 -3.501 -0.301 1.00 0.00 C ATOM 684 O CYS A 43 10.282 -3.877 0.823 1.00 0.00 O ATOM 685 CB CYS A 43 9.518 -5.106 -1.916 1.00 0.00 C ATOM 686 SG CYS A 43 8.731 -6.197 -0.707 1.00 0.00 S ATOM 0 H CYS A 43 10.431 -3.364 -3.392 1.00 0.00 H new ATOM 0 HA CYS A 43 8.658 -3.291 -1.147 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.952 -5.149 -2.846 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.516 -5.487 -2.133 1.00 0.00 H new ATOM 0 HG CYS A 43 8.666 -7.403 -1.188 1.00 0.00 H new ATOM 692 N LYS A 44 11.784 -2.961 -0.565 1.00 0.00 N ATOM 693 CA LYS A 44 12.756 -2.702 0.476 1.00 0.00 C ATOM 694 C LYS A 44 12.651 -1.263 0.974 1.00 0.00 C ATOM 695 O LYS A 44 13.338 -0.872 1.917 1.00 0.00 O ATOM 696 CB LYS A 44 14.160 -2.983 -0.053 1.00 0.00 C ATOM 697 CG LYS A 44 14.471 -4.463 -0.202 1.00 0.00 C ATOM 698 CD LYS A 44 15.902 -4.690 -0.661 1.00 0.00 C ATOM 699 CE LYS A 44 16.221 -6.171 -0.768 1.00 0.00 C ATOM 700 NZ LYS A 44 16.171 -6.851 0.553 1.00 0.00 N ATOM 0 H LYS A 44 12.090 -2.694 -1.501 1.00 0.00 H new ATOM 0 HA LYS A 44 12.551 -3.363 1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.278 -2.497 -1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.889 -2.533 0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.310 -4.967 0.751 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.783 -4.910 -0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.055 -4.212 -1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.590 -4.218 0.040 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.512 -6.646 -1.447 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.212 -6.297 -1.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.603 -7.794 0.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.694 -6.288 1.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.181 -6.948 0.856 1.00 0.00 H new ATOM 714 N GLY A 45 11.785 -0.485 0.335 1.00 0.00 N ATOM 715 CA GLY A 45 11.578 0.894 0.745 1.00 0.00 C ATOM 716 C GLY A 45 12.714 1.810 0.337 1.00 0.00 C ATOM 717 O GLY A 45 12.936 2.852 0.954 1.00 0.00 O ATOM 0 H GLY A 45 11.221 -0.784 -0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.649 1.261 0.310 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.459 0.931 1.828 1.00 0.00 H new ATOM 721 N ILE A 46 13.432 1.430 -0.711 1.00 0.00 N ATOM 722 CA ILE A 46 14.558 2.222 -1.188 1.00 0.00 C ATOM 723 C ILE A 46 14.071 3.386 -2.046 1.00 0.00 C ATOM 724 O ILE A 46 14.585 4.502 -1.954 1.00 0.00 O ATOM 725 CB ILE A 46 15.549 1.352 -1.992 1.00 0.00 C ATOM 726 CG1 ILE A 46 16.047 0.189 -1.125 1.00 0.00 C ATOM 727 CG2 ILE A 46 16.721 2.187 -2.494 1.00 0.00 C ATOM 728 CD1 ILE A 46 16.986 -0.758 -1.843 1.00 0.00 C ATOM 0 H ILE A 46 13.256 0.580 -1.246 1.00 0.00 H new ATOM 0 HA ILE A 46 15.078 2.619 -0.316 1.00 0.00 H new ATOM 0 HB ILE A 46 15.030 0.947 -2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.555 0.594 -0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.187 -0.374 -0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 46 17.405 1.552 -3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 46 16.350 2.983 -3.139 1.00 0.00 H new ATOM 0 HG23 ILE A 46 17.247 2.623 -1.645 1.00 0.00 H new ATOM 0 HD11 ILE A 46 17.293 -1.552 -1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 46 16.476 -1.194 -2.702 1.00 0.00 H new ATOM 0 HD13 ILE A 46 17.866 -0.211 -2.182 1.00 0.00 H new ATOM 740 N ALA A 47 13.062 3.128 -2.862 1.00 0.00 N ATOM 741 CA ALA A 47 12.520 4.145 -3.749 1.00 0.00 C ATOM 742 C ALA A 47 11.038 3.909 -3.994 1.00 0.00 C ATOM 743 O ALA A 47 10.547 2.789 -3.837 1.00 0.00 O ATOM 744 CB ALA A 47 13.279 4.155 -5.067 1.00 0.00 C ATOM 0 H ALA A 47 12.601 2.221 -2.929 1.00 0.00 H new ATOM 0 HA ALA A 47 12.638 5.117 -3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.862 4.921 -5.721 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.331 4.371 -4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.188 3.180 -5.546 1.00 0.00 H new ATOM 750 N ILE A 48 10.332 4.969 -4.364 1.00 0.00 N ATOM 751 CA ILE A 48 8.915 4.874 -4.684 1.00 0.00 C ATOM 752 C ILE A 48 8.689 5.203 -6.156 1.00 0.00 C ATOM 753 O ILE A 48 9.134 6.243 -6.646 1.00 0.00 O ATOM 754 CB ILE A 48 8.065 5.816 -3.800 1.00 0.00 C ATOM 755 CG1 ILE A 48 8.148 5.375 -2.339 1.00 0.00 C ATOM 756 CG2 ILE A 48 6.613 5.844 -4.263 1.00 0.00 C ATOM 757 CD1 ILE A 48 7.501 6.339 -1.370 1.00 0.00 C ATOM 0 H ILE A 48 10.720 5.908 -4.450 1.00 0.00 H new ATOM 0 HA ILE A 48 8.598 3.850 -4.484 1.00 0.00 H new ATOM 0 HB ILE A 48 8.465 6.826 -3.892 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.673 4.399 -2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.196 5.250 -2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.040 6.515 -3.623 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.566 6.198 -5.293 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.193 4.840 -4.205 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.601 5.956 -0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.990 7.310 -1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.444 6.446 -1.615 1.00 0.00 H new ATOM 769 N PRO A 49 8.012 4.303 -6.878 1.00 0.00 N ATOM 770 CA PRO A 49 7.731 4.467 -8.308 1.00 0.00 C ATOM 771 C PRO A 49 6.651 5.513 -8.573 1.00 0.00 C ATOM 772 O PRO A 49 5.949 5.942 -7.655 1.00 0.00 O ATOM 773 CB PRO A 49 7.244 3.077 -8.715 1.00 0.00 C ATOM 774 CG PRO A 49 6.608 2.541 -7.479 1.00 0.00 C ATOM 775 CD PRO A 49 7.458 3.045 -6.347 1.00 0.00 C ATOM 0 HA PRO A 49 8.600 4.817 -8.865 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.533 3.129 -9.539 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.069 2.446 -9.045 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.579 2.888 -7.383 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.577 1.452 -7.493 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.869 3.213 -5.445 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.244 2.336 -6.087 1.00 0.00 H new ATOM 783 N ARG A 50 6.522 5.931 -9.826 1.00 0.00 N ATOM 784 CA ARG A 50 5.506 6.905 -10.196 1.00 0.00 C ATOM 785 C ARG A 50 4.138 6.251 -10.351 1.00 0.00 C ATOM 786 O ARG A 50 4.010 5.023 -10.283 1.00 0.00 O ATOM 787 CB ARG A 50 5.887 7.629 -11.484 1.00 0.00 C ATOM 788 CG ARG A 50 6.953 8.692 -11.289 1.00 0.00 C ATOM 789 CD ARG A 50 7.131 9.537 -12.540 1.00 0.00 C ATOM 790 NE ARG A 50 5.867 10.128 -12.982 1.00 0.00 N ATOM 791 CZ ARG A 50 5.752 11.334 -13.537 1.00 0.00 C ATOM 792 NH1 ARG A 50 6.811 12.120 -13.683 1.00 0.00 N ATOM 793 NH2 ARG A 50 4.560 11.752 -13.941 1.00 0.00 N ATOM 0 H ARG A 50 7.106 5.612 -10.599 1.00 0.00 H new ATOM 0 HA ARG A 50 5.447 7.634 -9.388 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.243 6.898 -12.211 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.996 8.093 -11.908 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.680 9.333 -10.451 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.900 8.217 -11.032 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.853 10.329 -12.344 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.543 8.921 -13.339 1.00 0.00 H new ATOM 0 HE ARG A 50 5.016 9.579 -12.857 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.728 11.803 -13.369 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.708 13.041 -14.110 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.743 11.152 -13.826 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.460 12.673 -14.367 1.00 0.00 H new ATOM 807 N MET A 51 3.126 7.085 -10.585 1.00 0.00 N ATOM 808 CA MET A 51 1.732 6.643 -10.661 1.00 0.00 C ATOM 809 C MET A 51 1.546 5.501 -11.657 1.00 0.00 C ATOM 810 O MET A 51 0.731 4.607 -11.432 1.00 0.00 O ATOM 811 CB MET A 51 0.833 7.822 -11.044 1.00 0.00 C ATOM 812 CG MET A 51 -0.645 7.469 -11.128 1.00 0.00 C ATOM 813 SD MET A 51 -1.313 6.874 -9.563 1.00 0.00 S ATOM 814 CE MET A 51 -3.034 6.631 -10.001 1.00 0.00 C ATOM 0 H MET A 51 3.248 8.088 -10.728 1.00 0.00 H new ATOM 0 HA MET A 51 1.451 6.268 -9.677 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.965 8.619 -10.313 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.158 8.216 -12.007 1.00 0.00 H new ATOM 0 HG2 MET A 51 -1.206 8.348 -11.446 1.00 0.00 H new ATOM 0 HG3 MET A 51 -0.788 6.705 -11.892 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.667 6.909 -9.158 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.282 7.253 -10.861 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.202 5.583 -10.250 1.00 0.00 H new ATOM 824 N GLY A 52 2.314 5.527 -12.742 1.00 0.00 N ATOM 825 CA GLY A 52 2.206 4.489 -13.756 1.00 0.00 C ATOM 826 C GLY A 52 2.429 3.092 -13.198 1.00 0.00 C ATOM 827 O GLY A 52 1.851 2.120 -13.684 1.00 0.00 O ATOM 0 H GLY A 52 3.009 6.247 -12.939 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.219 4.538 -14.215 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.934 4.681 -14.544 1.00 0.00 H new ATOM 831 N LYS A 53 3.262 2.994 -12.168 1.00 0.00 N ATOM 832 CA LYS A 53 3.559 1.712 -11.542 1.00 0.00 C ATOM 833 C LYS A 53 2.732 1.523 -10.270 1.00 0.00 C ATOM 834 O LYS A 53 2.299 0.413 -9.967 1.00 0.00 O ATOM 835 CB LYS A 53 5.054 1.601 -11.222 1.00 0.00 C ATOM 836 CG LYS A 53 5.933 1.186 -12.401 1.00 0.00 C ATOM 837 CD LYS A 53 5.857 2.164 -13.567 1.00 0.00 C ATOM 838 CE LYS A 53 6.871 1.819 -14.645 1.00 0.00 C ATOM 839 NZ LYS A 53 6.711 2.675 -15.850 1.00 0.00 N ATOM 0 H LYS A 53 3.744 3.789 -11.749 1.00 0.00 H new ATOM 0 HA LYS A 53 3.293 0.924 -12.246 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.403 2.563 -10.848 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.186 0.879 -10.417 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.967 1.106 -12.067 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.631 0.196 -12.743 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.853 2.150 -13.991 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.037 3.177 -13.207 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.879 1.937 -14.247 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.760 0.772 -14.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.421 2.409 -16.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.758 2.544 -16.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.842 3.673 -15.587 1.00 0.00 H new ATOM 853 N VAL A 54 2.504 2.612 -9.537 1.00 0.00 N ATOM 854 CA VAL A 54 1.713 2.559 -8.307 1.00 0.00 C ATOM 855 C VAL A 54 0.287 2.101 -8.600 1.00 0.00 C ATOM 856 O VAL A 54 -0.281 1.288 -7.866 1.00 0.00 O ATOM 857 CB VAL A 54 1.673 3.930 -7.591 1.00 0.00 C ATOM 858 CG1 VAL A 54 0.806 3.867 -6.338 1.00 0.00 C ATOM 859 CG2 VAL A 54 3.078 4.389 -7.237 1.00 0.00 C ATOM 0 H VAL A 54 2.855 3.540 -9.772 1.00 0.00 H new ATOM 0 HA VAL A 54 2.198 1.839 -7.648 1.00 0.00 H new ATOM 0 HB VAL A 54 1.231 4.654 -8.276 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.795 4.843 -5.854 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.211 3.587 -6.613 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.213 3.126 -5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.029 5.355 -6.734 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.544 3.659 -6.575 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.670 4.483 -8.147 1.00 0.00 H new ATOM 869 N GLN A 55 -0.282 2.621 -9.686 1.00 0.00 N ATOM 870 CA GLN A 55 -1.623 2.239 -10.106 1.00 0.00 C ATOM 871 C GLN A 55 -1.663 0.739 -10.381 1.00 0.00 C ATOM 872 O GLN A 55 -2.588 0.052 -9.962 1.00 0.00 O ATOM 873 CB GLN A 55 -2.027 3.044 -11.352 1.00 0.00 C ATOM 874 CG GLN A 55 -3.527 3.091 -11.638 1.00 0.00 C ATOM 875 CD GLN A 55 -4.032 1.911 -12.451 1.00 0.00 C ATOM 876 OE1 GLN A 55 -4.004 1.940 -13.680 1.00 0.00 O ATOM 877 NE2 GLN A 55 -4.534 0.887 -11.783 1.00 0.00 N ATOM 0 H GLN A 55 0.168 3.309 -10.290 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.337 2.462 -9.313 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.663 4.065 -11.239 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.521 2.619 -12.219 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.067 3.127 -10.692 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.757 4.013 -12.171 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.541 0.897 -10.763 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.915 0.086 -12.287 1.00 0.00 H new ATOM 886 N ALA A 56 -0.627 0.234 -11.043 1.00 0.00 N ATOM 887 CA ALA A 56 -0.543 -1.184 -11.381 1.00 0.00 C ATOM 888 C ALA A 56 -0.486 -2.049 -10.124 1.00 0.00 C ATOM 889 O ALA A 56 -1.065 -3.134 -10.082 1.00 0.00 O ATOM 890 CB ALA A 56 0.668 -1.446 -12.263 1.00 0.00 C ATOM 0 H ALA A 56 0.170 0.788 -11.358 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.444 -1.454 -11.932 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.718 -2.507 -12.507 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.581 -0.866 -13.182 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.574 -1.153 -11.733 1.00 0.00 H new ATOM 896 N LEU A 57 0.205 -1.556 -9.102 1.00 0.00 N ATOM 897 CA LEU A 57 0.287 -2.249 -7.822 1.00 0.00 C ATOM 898 C LEU A 57 -1.100 -2.418 -7.211 1.00 0.00 C ATOM 899 O LEU A 57 -1.499 -3.521 -6.834 1.00 0.00 O ATOM 900 CB LEU A 57 1.177 -1.465 -6.857 1.00 0.00 C ATOM 901 CG LEU A 57 2.664 -1.424 -7.213 1.00 0.00 C ATOM 902 CD1 LEU A 57 3.409 -0.466 -6.298 1.00 0.00 C ATOM 903 CD2 LEU A 57 3.266 -2.816 -7.120 1.00 0.00 C ATOM 0 H LEU A 57 0.718 -0.675 -9.136 1.00 0.00 H new ATOM 0 HA LEU A 57 0.718 -3.235 -7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.807 -0.441 -6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.072 -1.897 -5.862 1.00 0.00 H new ATOM 0 HG LEU A 57 2.762 -1.066 -8.238 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.465 -0.452 -6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.994 0.536 -6.405 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.303 -0.794 -5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.325 -2.772 -7.376 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.154 -3.194 -6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.752 -3.482 -7.814 1.00 0.00 H new ATOM 915 N ALA A 58 -1.834 -1.314 -7.134 1.00 0.00 N ATOM 916 CA ALA A 58 -3.170 -1.319 -6.552 1.00 0.00 C ATOM 917 C ALA A 58 -4.157 -2.046 -7.456 1.00 0.00 C ATOM 918 O ALA A 58 -5.195 -2.524 -7.001 1.00 0.00 O ATOM 919 CB ALA A 58 -3.636 0.107 -6.279 1.00 0.00 C ATOM 0 H ALA A 58 -1.525 -0.401 -7.469 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.127 -1.856 -5.604 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.635 0.086 -5.844 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.948 0.588 -5.584 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.658 0.668 -7.213 1.00 0.00 H new ATOM 925 N ASP A 59 -3.824 -2.125 -8.734 1.00 0.00 N ATOM 926 CA ASP A 59 -4.681 -2.774 -9.714 1.00 0.00 C ATOM 927 C ASP A 59 -4.554 -4.288 -9.618 1.00 0.00 C ATOM 928 O ASP A 59 -5.548 -5.011 -9.687 1.00 0.00 O ATOM 929 CB ASP A 59 -4.317 -2.307 -11.125 1.00 0.00 C ATOM 930 CG ASP A 59 -5.340 -2.712 -12.165 1.00 0.00 C ATOM 931 OD1 ASP A 59 -5.228 -3.822 -12.723 1.00 0.00 O ATOM 932 OD2 ASP A 59 -6.255 -1.909 -12.437 1.00 0.00 O ATOM 0 H ASP A 59 -2.960 -1.745 -9.120 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.714 -2.498 -9.504 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.215 -1.222 -11.127 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.346 -2.719 -11.399 1.00 0.00 H new ATOM 937 N TYR A 60 -3.323 -4.758 -9.434 1.00 0.00 N ATOM 938 CA TYR A 60 -3.043 -6.188 -9.351 1.00 0.00 C ATOM 939 C TYR A 60 -3.814 -6.833 -8.201 1.00 0.00 C ATOM 940 O TYR A 60 -4.347 -7.934 -8.337 1.00 0.00 O ATOM 941 CB TYR A 60 -1.540 -6.420 -9.175 1.00 0.00 C ATOM 942 CG TYR A 60 -1.120 -7.869 -9.321 1.00 0.00 C ATOM 943 CD1 TYR A 60 -1.008 -8.454 -10.579 1.00 0.00 C ATOM 944 CD2 TYR A 60 -0.836 -8.651 -8.208 1.00 0.00 C ATOM 945 CE1 TYR A 60 -0.626 -9.774 -10.722 1.00 0.00 C ATOM 946 CE2 TYR A 60 -0.451 -9.973 -8.345 1.00 0.00 C ATOM 947 CZ TYR A 60 -0.350 -10.527 -9.604 1.00 0.00 C ATOM 948 OH TYR A 60 0.031 -11.841 -9.746 1.00 0.00 O ATOM 0 H TYR A 60 -2.499 -4.165 -9.339 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.370 -6.653 -10.281 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.002 -5.820 -9.909 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.240 -6.063 -8.190 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.223 -7.866 -11.459 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.917 -8.220 -7.221 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.544 -10.212 -11.706 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.231 -10.568 -7.471 1.00 0.00 H new ATOM 0 HH TYR A 60 0.611 -11.930 -10.531 1.00 0.00 H new ATOM 958 N PHE A 61 -3.876 -6.141 -7.070 1.00 0.00 N ATOM 959 CA PHE A 61 -4.588 -6.653 -5.907 1.00 0.00 C ATOM 960 C PHE A 61 -6.046 -6.201 -5.920 1.00 0.00 C ATOM 961 O PHE A 61 -6.857 -6.662 -5.116 1.00 0.00 O ATOM 962 CB PHE A 61 -3.910 -6.180 -4.621 1.00 0.00 C ATOM 963 CG PHE A 61 -2.493 -6.658 -4.468 1.00 0.00 C ATOM 964 CD1 PHE A 61 -2.221 -7.981 -4.162 1.00 0.00 C ATOM 965 CD2 PHE A 61 -1.435 -5.779 -4.622 1.00 0.00 C ATOM 966 CE1 PHE A 61 -0.918 -8.419 -4.019 1.00 0.00 C ATOM 967 CE2 PHE A 61 -0.130 -6.211 -4.478 1.00 0.00 C ATOM 968 CZ PHE A 61 0.129 -7.533 -4.175 1.00 0.00 C ATOM 0 H PHE A 61 -3.443 -5.227 -6.934 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.562 -7.742 -5.946 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.920 -5.090 -4.596 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.493 -6.524 -3.767 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.036 -8.678 -4.034 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.631 -4.743 -4.857 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.719 -9.454 -3.785 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.686 -5.515 -4.602 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.148 -7.873 -4.060 1.00 0.00 H new ATOM 978 N ASN A 62 -6.359 -5.315 -6.859 1.00 0.00 N ATOM 979 CA ASN A 62 -7.683 -4.704 -6.976 1.00 0.00 C ATOM 980 C ASN A 62 -8.077 -4.021 -5.673 1.00 0.00 C ATOM 981 O ASN A 62 -8.978 -4.466 -4.962 1.00 0.00 O ATOM 982 CB ASN A 62 -8.745 -5.729 -7.391 1.00 0.00 C ATOM 983 CG ASN A 62 -10.031 -5.066 -7.858 1.00 0.00 C ATOM 984 OD1 ASN A 62 -10.185 -4.757 -9.039 1.00 0.00 O ATOM 985 ND2 ASN A 62 -10.962 -4.835 -6.943 1.00 0.00 N ATOM 0 H ASN A 62 -5.698 -4.996 -7.567 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.628 -3.950 -7.762 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.350 -6.355 -8.191 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.962 -6.386 -6.549 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -11.839 -4.388 -7.210 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.801 -5.104 -5.972 1.00 0.00 H new ATOM 992 N ILE A 63 -7.366 -2.956 -5.355 1.00 0.00 N ATOM 993 CA ILE A 63 -7.644 -2.157 -4.171 1.00 0.00 C ATOM 994 C ILE A 63 -7.556 -0.683 -4.528 1.00 0.00 C ATOM 995 O ILE A 63 -7.505 -0.328 -5.709 1.00 0.00 O ATOM 996 CB ILE A 63 -6.660 -2.461 -3.017 1.00 0.00 C ATOM 997 CG1 ILE A 63 -5.210 -2.369 -3.509 1.00 0.00 C ATOM 998 CG2 ILE A 63 -6.945 -3.837 -2.421 1.00 0.00 C ATOM 999 CD1 ILE A 63 -4.182 -2.594 -2.421 1.00 0.00 C ATOM 0 H ILE A 63 -6.579 -2.618 -5.909 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.647 -2.412 -3.828 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.802 -1.715 -2.235 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.057 -3.104 -4.299 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.048 -1.386 -3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.244 -4.035 -1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.964 -3.862 -2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.832 -4.598 -3.193 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.181 -2.514 -2.844 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.308 -1.843 -1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.316 -3.588 -1.993 1.00 0.00 H new ATOM 1011 N ASN A 64 -7.541 0.174 -3.525 1.00 0.00 N ATOM 1012 CA ASN A 64 -7.359 1.593 -3.766 1.00 0.00 C ATOM 1013 C ASN A 64 -5.884 1.940 -3.712 1.00 0.00 C ATOM 1014 O ASN A 64 -5.100 1.239 -3.075 1.00 0.00 O ATOM 1015 CB ASN A 64 -8.129 2.438 -2.750 1.00 0.00 C ATOM 1016 CG ASN A 64 -9.633 2.316 -2.898 1.00 0.00 C ATOM 1017 OD1 ASN A 64 -10.250 3.042 -3.678 1.00 0.00 O ATOM 1018 ND2 ASN A 64 -10.236 1.409 -2.142 1.00 0.00 N ATOM 0 H ASN A 64 -7.651 -0.084 -2.544 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.753 1.818 -4.757 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.843 2.136 -1.743 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.842 3.483 -2.863 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.248 1.293 -2.194 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.688 0.827 -1.508 1.00 0.00 H new ATOM 1025 N LYS A 65 -5.514 3.027 -4.367 1.00 0.00 N ATOM 1026 CA LYS A 65 -4.124 3.451 -4.419 1.00 0.00 C ATOM 1027 C LYS A 65 -3.682 3.901 -3.033 1.00 0.00 C ATOM 1028 O LYS A 65 -2.557 3.649 -2.606 1.00 0.00 O ATOM 1029 CB LYS A 65 -3.929 4.593 -5.431 1.00 0.00 C ATOM 1030 CG LYS A 65 -4.351 4.247 -6.857 1.00 0.00 C ATOM 1031 CD LYS A 65 -5.861 4.336 -7.033 1.00 0.00 C ATOM 1032 CE LYS A 65 -6.293 3.917 -8.424 1.00 0.00 C ATOM 1033 NZ LYS A 65 -7.768 3.981 -8.579 1.00 0.00 N ATOM 0 H LYS A 65 -6.159 3.635 -4.872 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.515 2.608 -4.745 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.498 5.460 -5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.878 4.883 -5.436 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.862 4.925 -7.556 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.014 3.240 -7.102 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.351 3.702 -6.294 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.189 5.358 -6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.820 4.564 -9.163 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.949 2.902 -8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.029 3.688 -9.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.217 3.345 -7.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.092 4.955 -8.414 1.00 0.00 H new ATOM 1047 N SER A 66 -4.609 4.528 -2.323 1.00 0.00 N ATOM 1048 CA SER A 66 -4.354 5.055 -0.993 1.00 0.00 C ATOM 1049 C SER A 66 -4.137 3.937 0.029 1.00 0.00 C ATOM 1050 O SER A 66 -3.558 4.170 1.084 1.00 0.00 O ATOM 1051 CB SER A 66 -5.522 5.952 -0.573 1.00 0.00 C ATOM 1052 OG SER A 66 -6.755 5.417 -1.028 1.00 0.00 O ATOM 0 H SER A 66 -5.561 4.685 -2.655 1.00 0.00 H new ATOM 0 HA SER A 66 -3.435 5.641 -1.024 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.540 6.049 0.513 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.382 6.954 -0.980 1.00 0.00 H new ATOM 0 HG SER A 66 -7.489 6.003 -0.748 1.00 0.00 H new ATOM 1058 N ASP A 67 -4.583 2.724 -0.293 1.00 0.00 N ATOM 1059 CA ASP A 67 -4.405 1.580 0.606 1.00 0.00 C ATOM 1060 C ASP A 67 -2.932 1.230 0.759 1.00 0.00 C ATOM 1061 O ASP A 67 -2.503 0.741 1.801 1.00 0.00 O ATOM 1062 CB ASP A 67 -5.173 0.349 0.112 1.00 0.00 C ATOM 1063 CG ASP A 67 -6.627 0.356 0.531 1.00 0.00 C ATOM 1064 OD1 ASP A 67 -6.903 0.149 1.730 1.00 0.00 O ATOM 1065 OD2 ASP A 67 -7.506 0.559 -0.336 1.00 0.00 O ATOM 0 H ASP A 67 -5.068 2.506 -1.164 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.806 1.874 1.576 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.114 0.302 -0.975 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.693 -0.551 0.497 1.00 0.00 H new ATOM 1070 N LEU A 68 -2.164 1.488 -0.289 1.00 0.00 N ATOM 1071 CA LEU A 68 -0.742 1.184 -0.282 1.00 0.00 C ATOM 1072 C LEU A 68 0.075 2.391 0.161 1.00 0.00 C ATOM 1073 O LEU A 68 1.213 2.252 0.598 1.00 0.00 O ATOM 1074 CB LEU A 68 -0.294 0.730 -1.673 1.00 0.00 C ATOM 1075 CG LEU A 68 -0.946 -0.560 -2.179 1.00 0.00 C ATOM 1076 CD1 LEU A 68 -0.505 -0.853 -3.602 1.00 0.00 C ATOM 1077 CD2 LEU A 68 -0.596 -1.723 -1.264 1.00 0.00 C ATOM 0 H LEU A 68 -2.502 1.907 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.572 0.377 0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.506 1.528 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.787 0.592 -1.662 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.028 -0.428 -2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.977 -1.773 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.799 -0.028 -4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.579 -0.968 -3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.066 -2.633 -1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.486 -1.856 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.956 -1.514 -0.257 1.00 0.00 H new ATOM 1089 N ILE A 69 -0.514 3.573 0.052 1.00 0.00 N ATOM 1090 CA ILE A 69 0.207 4.806 0.335 1.00 0.00 C ATOM 1091 C ILE A 69 -0.059 5.300 1.753 1.00 0.00 C ATOM 1092 O ILE A 69 0.871 5.595 2.503 1.00 0.00 O ATOM 1093 CB ILE A 69 -0.176 5.926 -0.659 1.00 0.00 C ATOM 1094 CG1 ILE A 69 -0.052 5.425 -2.101 1.00 0.00 C ATOM 1095 CG2 ILE A 69 0.705 7.152 -0.436 1.00 0.00 C ATOM 1096 CD1 ILE A 69 -0.451 6.450 -3.141 1.00 0.00 C ATOM 0 H ILE A 69 -1.486 3.705 -0.229 1.00 0.00 H new ATOM 0 HA ILE A 69 1.266 4.573 0.228 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.214 6.210 -0.485 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.979 5.120 -2.282 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.673 4.538 -2.222 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.426 7.934 -1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.570 7.517 0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.750 6.882 -0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.336 6.022 -4.137 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.491 6.738 -2.988 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.187 7.329 -3.049 1.00 0.00 H new ATOM 1108 N GLU A 70 -1.329 5.388 2.120 1.00 0.00 N ATOM 1109 CA GLU A 70 -1.720 6.000 3.371 1.00 0.00 C ATOM 1110 C GLU A 70 -1.746 4.999 4.518 1.00 0.00 C ATOM 1111 O GLU A 70 -1.829 3.790 4.302 1.00 0.00 O ATOM 1112 CB GLU A 70 -3.094 6.638 3.212 1.00 0.00 C ATOM 1113 CG GLU A 70 -3.109 7.822 2.262 1.00 0.00 C ATOM 1114 CD GLU A 70 -2.144 8.910 2.682 1.00 0.00 C ATOM 1115 OE1 GLU A 70 -2.411 9.587 3.699 1.00 0.00 O ATOM 1116 OE2 GLU A 70 -1.107 9.085 2.007 1.00 0.00 O ATOM 0 H GLU A 70 -2.108 5.039 1.561 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.977 6.758 3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.795 5.885 2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.450 6.963 4.190 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.855 7.482 1.258 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.117 8.233 2.214 1.00 0.00 H new ATOM 1123 N ASP A 71 -1.682 5.527 5.736 1.00 0.00 N ATOM 1124 CA ASP A 71 -1.748 4.725 6.956 1.00 0.00 C ATOM 1125 C ASP A 71 -2.998 3.841 6.941 1.00 0.00 C ATOM 1126 O ASP A 71 -4.074 4.285 6.541 1.00 0.00 O ATOM 1127 CB ASP A 71 -1.770 5.670 8.163 1.00 0.00 C ATOM 1128 CG ASP A 71 -1.571 4.991 9.509 1.00 0.00 C ATOM 1129 OD1 ASP A 71 -2.139 3.906 9.737 1.00 0.00 O ATOM 1130 OD2 ASP A 71 -0.866 5.577 10.362 1.00 0.00 O ATOM 0 H ASP A 71 -1.582 6.528 5.907 1.00 0.00 H new ATOM 0 HA ASP A 71 -0.877 4.073 7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.991 6.421 8.032 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.723 6.198 8.176 1.00 0.00 H new ATOM 1135 N LYS A 72 -2.854 2.598 7.389 1.00 0.00 N ATOM 1136 CA LYS A 72 -3.938 1.614 7.337 1.00 0.00 C ATOM 1137 C LYS A 72 -5.045 1.909 8.355 1.00 0.00 C ATOM 1138 O LYS A 72 -5.930 1.085 8.576 1.00 0.00 O ATOM 1139 CB LYS A 72 -3.384 0.200 7.556 1.00 0.00 C ATOM 1140 CG LYS A 72 -2.600 0.033 8.847 1.00 0.00 C ATOM 1141 CD LYS A 72 -2.047 -1.377 8.977 1.00 0.00 C ATOM 1142 CE LYS A 72 -1.074 -1.495 10.139 1.00 0.00 C ATOM 1143 NZ LYS A 72 -0.492 -2.860 10.239 1.00 0.00 N ATOM 0 H LYS A 72 -1.989 2.242 7.797 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.384 1.682 6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.213 -0.508 7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.740 -0.060 6.716 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.781 0.751 8.873 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.245 0.253 9.698 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.869 -2.079 9.118 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.544 -1.657 8.051 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.272 -0.767 10.017 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.588 -1.250 11.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.166 -2.899 11.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.254 -3.553 10.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.020 -3.084 9.362 1.00 0.00 H new ATOM 1157 N LYS A 73 -5.007 3.093 8.951 1.00 0.00 N ATOM 1158 CA LYS A 73 -6.046 3.538 9.867 1.00 0.00 C ATOM 1159 C LYS A 73 -7.207 4.155 9.093 1.00 0.00 C ATOM 1160 O LYS A 73 -8.032 4.883 9.651 1.00 0.00 O ATOM 1161 CB LYS A 73 -5.458 4.562 10.827 1.00 0.00 C ATOM 1162 CG LYS A 73 -4.999 5.839 10.143 1.00 0.00 C ATOM 1163 CD LYS A 73 -4.090 6.661 11.037 1.00 0.00 C ATOM 1164 CE LYS A 73 -3.562 7.884 10.306 1.00 0.00 C ATOM 1165 NZ LYS A 73 -2.212 8.275 10.786 1.00 0.00 N ATOM 0 H LYS A 73 -4.257 3.770 8.813 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.422 2.683 10.428 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.204 4.811 11.582 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.612 4.115 11.350 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.473 5.589 9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.868 6.434 9.863 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.636 6.973 11.927 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.255 6.047 11.375 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.522 7.678 9.236 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.252 8.716 10.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.844 9.048 10.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.274 8.593 11.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.572 7.458 10.725 1.00 0.00 H new ATOM 1179 N LEU A 74 -7.249 3.847 7.803 1.00 0.00 N ATOM 1180 CA LEU A 74 -8.271 4.334 6.897 1.00 0.00 C ATOM 1181 C LEU A 74 -9.642 3.802 7.279 1.00 0.00 C ATOM 1182 O LEU A 74 -10.102 2.770 6.778 1.00 0.00 O ATOM 1183 CB LEU A 74 -7.933 3.939 5.460 1.00 0.00 C ATOM 1184 CG LEU A 74 -6.667 4.580 4.883 1.00 0.00 C ATOM 1185 CD1 LEU A 74 -6.411 4.080 3.471 1.00 0.00 C ATOM 1186 CD2 LEU A 74 -6.783 6.099 4.895 1.00 0.00 C ATOM 0 H LEU A 74 -6.561 3.242 7.354 1.00 0.00 H new ATOM 0 HA LEU A 74 -8.298 5.421 6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.824 2.855 5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -8.776 4.201 4.821 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.823 4.293 5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.508 4.547 3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.283 2.998 3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.258 4.337 2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.874 6.537 4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.639 6.403 4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.919 6.445 5.920 1.00 0.00 H new ATOM 1198 N ASN A 75 -10.259 4.498 8.209 1.00 0.00 N ATOM 1199 CA ASN A 75 -11.604 4.211 8.642 1.00 0.00 C ATOM 1200 C ASN A 75 -12.596 4.833 7.677 1.00 0.00 C ATOM 1201 O ASN A 75 -12.208 5.460 6.689 1.00 0.00 O ATOM 1202 CB ASN A 75 -11.831 4.748 10.060 1.00 0.00 C ATOM 1203 CG ASN A 75 -11.555 6.240 10.177 1.00 0.00 C ATOM 1204 OD1 ASN A 75 -12.444 7.067 9.982 1.00 0.00 O ATOM 1205 ND2 ASN A 75 -10.317 6.591 10.499 1.00 0.00 N ATOM 0 H ASN A 75 -9.832 5.289 8.691 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.751 3.131 8.655 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.860 4.549 10.358 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.188 4.209 10.755 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.075 7.577 10.593 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.607 5.875 10.653 1.00 0.00 H new ATOM 1212 N ILE A 76 -13.867 4.664 7.963 1.00 0.00 N ATOM 1213 CA ILE A 76 -14.910 5.208 7.109 1.00 0.00 C ATOM 1214 C ILE A 76 -15.251 6.624 7.543 1.00 0.00 C ATOM 1215 O ILE A 76 -15.666 6.853 8.678 1.00 0.00 O ATOM 1216 CB ILE A 76 -16.194 4.353 7.131 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -15.869 2.883 6.843 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -17.206 4.883 6.123 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -15.176 2.654 5.514 1.00 0.00 C ATOM 0 H ILE A 76 -14.208 4.155 8.779 1.00 0.00 H new ATOM 0 HA ILE A 76 -14.521 5.204 6.091 1.00 0.00 H new ATOM 0 HB ILE A 76 -16.632 4.419 8.127 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -15.236 2.498 7.642 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -16.794 2.306 6.863 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -18.105 4.268 6.152 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.463 5.913 6.372 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -16.775 4.848 5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -14.980 1.590 5.384 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -15.815 3.006 4.705 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -14.233 3.201 5.496 1.00 0.00 H new ATOM 1231 N ASP A 77 -15.069 7.563 6.637 1.00 0.00 N ATOM 1232 CA ASP A 77 -15.320 8.966 6.923 1.00 0.00 C ATOM 1233 C ASP A 77 -16.534 9.447 6.146 1.00 0.00 C ATOM 1234 O ASP A 77 -16.410 9.973 5.043 1.00 0.00 O ATOM 1235 CB ASP A 77 -14.092 9.817 6.578 1.00 0.00 C ATOM 1236 CG ASP A 77 -14.281 11.294 6.886 1.00 0.00 C ATOM 1237 OD1 ASP A 77 -14.041 11.697 8.046 1.00 0.00 O ATOM 1238 OD2 ASP A 77 -14.644 12.061 5.971 1.00 0.00 O ATOM 0 H ASP A 77 -14.745 7.380 5.687 1.00 0.00 H new ATOM 0 HA ASP A 77 -15.519 9.073 7.989 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.232 9.444 7.134 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.863 9.700 5.519 1.00 0.00 H new ATOM 1243 N THR A 78 -17.710 9.209 6.705 1.00 0.00 N ATOM 1244 CA THR A 78 -18.951 9.658 6.100 1.00 0.00 C ATOM 1245 C THR A 78 -20.140 9.267 6.970 1.00 0.00 C ATOM 1246 O THR A 78 -20.098 8.269 7.698 1.00 0.00 O ATOM 1247 CB THR A 78 -19.143 9.086 4.669 1.00 0.00 C ATOM 1248 OG1 THR A 78 -20.304 9.661 4.052 1.00 0.00 O ATOM 1249 CG2 THR A 78 -19.278 7.569 4.690 1.00 0.00 C ATOM 0 H THR A 78 -17.830 8.704 7.583 1.00 0.00 H new ATOM 0 HA THR A 78 -18.894 10.744 6.023 1.00 0.00 H new ATOM 0 HB THR A 78 -18.257 9.346 4.090 1.00 0.00 H new ATOM 0 HG1 THR A 78 -20.412 9.293 3.150 1.00 0.00 H new ATOM 0 HG21 THR A 78 -19.411 7.201 3.673 1.00 0.00 H new ATOM 0 HG22 THR A 78 -18.378 7.130 5.120 1.00 0.00 H new ATOM 0 HG23 THR A 78 -20.142 7.289 5.293 1.00 0.00 H new ATOM 1257 N VAL A 79 -21.178 10.083 6.916 1.00 0.00 N ATOM 1258 CA VAL A 79 -22.432 9.791 7.586 1.00 0.00 C ATOM 1259 C VAL A 79 -23.524 9.664 6.533 1.00 0.00 C ATOM 1260 O VAL A 79 -24.156 10.653 6.163 1.00 0.00 O ATOM 1261 CB VAL A 79 -22.821 10.873 8.621 1.00 0.00 C ATOM 1262 CG1 VAL A 79 -24.076 10.465 9.380 1.00 0.00 C ATOM 1263 CG2 VAL A 79 -21.676 11.135 9.590 1.00 0.00 C ATOM 0 H VAL A 79 -21.175 10.967 6.406 1.00 0.00 H new ATOM 0 HA VAL A 79 -22.312 8.859 8.138 1.00 0.00 H new ATOM 0 HB VAL A 79 -23.029 11.796 8.080 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -24.332 11.240 10.103 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -24.900 10.337 8.678 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -23.896 9.526 9.903 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -21.974 11.899 10.308 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -21.431 10.215 10.121 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -20.802 11.478 9.036 1.00 0.00 H new ATOM 1273 N PRO A 80 -23.705 8.447 5.996 1.00 0.00 N ATOM 1274 CA PRO A 80 -24.610 8.190 4.873 1.00 0.00 C ATOM 1275 C PRO A 80 -26.017 8.727 5.112 1.00 0.00 C ATOM 1276 O PRO A 80 -26.778 8.176 5.909 1.00 0.00 O ATOM 1277 CB PRO A 80 -24.636 6.659 4.758 1.00 0.00 C ATOM 1278 CG PRO A 80 -24.019 6.149 6.019 1.00 0.00 C ATOM 1279 CD PRO A 80 -23.062 7.213 6.465 1.00 0.00 C ATOM 0 HA PRO A 80 -24.267 8.691 3.968 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -25.656 6.292 4.645 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -24.077 6.322 3.885 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -24.778 5.963 6.778 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -23.502 5.205 5.847 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -22.931 7.211 7.547 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -22.074 7.079 6.024 1.00 0.00 H new ATOM 1287 N ILE A 81 -26.344 9.823 4.436 1.00 0.00 N ATOM 1288 CA ILE A 81 -27.675 10.405 4.523 1.00 0.00 C ATOM 1289 C ILE A 81 -28.684 9.445 3.914 1.00 0.00 C ATOM 1290 O ILE A 81 -28.535 9.021 2.765 1.00 0.00 O ATOM 1291 CB ILE A 81 -27.783 11.767 3.794 1.00 0.00 C ATOM 1292 CG1 ILE A 81 -26.723 12.763 4.280 1.00 0.00 C ATOM 1293 CG2 ILE A 81 -29.165 12.365 3.987 1.00 0.00 C ATOM 1294 CD1 ILE A 81 -25.358 12.584 3.646 1.00 0.00 C ATOM 0 H ILE A 81 -25.704 10.326 3.821 1.00 0.00 H new ATOM 0 HA ILE A 81 -27.880 10.577 5.579 1.00 0.00 H new ATOM 0 HB ILE A 81 -27.610 11.577 2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -27.074 13.775 4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -26.623 12.670 5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -29.223 13.322 3.468 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -29.915 11.686 3.581 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -29.350 12.517 5.050 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -24.670 13.329 4.046 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -24.981 11.586 3.869 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -25.439 12.709 2.566 1.00 0.00 H new ATOM 1306 N GLU A 82 -29.696 9.107 4.687 1.00 0.00 N ATOM 1307 CA GLU A 82 -30.696 8.138 4.261 1.00 0.00 C ATOM 1308 C GLU A 82 -31.502 8.689 3.092 1.00 0.00 C ATOM 1309 O GLU A 82 -32.361 9.557 3.261 1.00 0.00 O ATOM 1310 CB GLU A 82 -31.596 7.762 5.438 1.00 0.00 C ATOM 1311 CG GLU A 82 -30.812 7.162 6.591 1.00 0.00 C ATOM 1312 CD GLU A 82 -31.677 6.803 7.776 1.00 0.00 C ATOM 1313 OE1 GLU A 82 -31.930 7.686 8.617 1.00 0.00 O ATOM 1314 OE2 GLU A 82 -32.081 5.626 7.887 1.00 0.00 O ATOM 0 H GLU A 82 -29.852 9.489 5.620 1.00 0.00 H new ATOM 0 HA GLU A 82 -30.196 7.232 3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -32.127 8.648 5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -32.350 7.049 5.104 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -30.294 6.268 6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -30.047 7.870 6.909 1.00 0.00 H new ATOM 1321 N SER A 83 -31.190 8.195 1.903 1.00 0.00 N ATOM 1322 CA SER A 83 -31.784 8.702 0.677 1.00 0.00 C ATOM 1323 C SER A 83 -33.114 8.014 0.393 1.00 0.00 C ATOM 1324 O SER A 83 -33.486 7.053 1.074 1.00 0.00 O ATOM 1325 CB SER A 83 -30.809 8.495 -0.480 1.00 0.00 C ATOM 1326 OG SER A 83 -29.527 9.009 -0.144 1.00 0.00 O ATOM 0 H SER A 83 -30.523 7.437 1.762 1.00 0.00 H new ATOM 0 HA SER A 83 -31.983 9.768 0.792 1.00 0.00 H new ATOM 0 HB2 SER A 83 -30.732 7.433 -0.714 1.00 0.00 H new ATOM 0 HB3 SER A 83 -31.185 8.992 -1.374 1.00 0.00 H new ATOM 0 HG SER A 83 -28.911 8.868 -0.893 1.00 0.00 H new ATOM 1332 N GLY A 84 -33.829 8.510 -0.609 1.00 0.00 N ATOM 1333 CA GLY A 84 -35.133 7.971 -0.932 1.00 0.00 C ATOM 1334 C GLY A 84 -35.060 6.615 -1.605 1.00 0.00 C ATOM 1335 O GLY A 84 -34.409 6.458 -2.640 1.00 0.00 O ATOM 0 H GLY A 84 -33.526 9.280 -1.206 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -35.722 7.887 -0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -35.657 8.668 -1.586 1.00 0.00 H new ATOM 1339 N TYR A 85 -35.710 5.632 -1.002 1.00 0.00 N ATOM 1340 CA TYR A 85 -35.792 4.298 -1.574 1.00 0.00 C ATOM 1341 C TYR A 85 -36.597 4.321 -2.873 1.00 0.00 C ATOM 1342 O TYR A 85 -37.608 5.022 -2.981 1.00 0.00 O ATOM 1343 CB TYR A 85 -36.415 3.332 -0.554 1.00 0.00 C ATOM 1344 CG TYR A 85 -36.749 1.960 -1.102 1.00 0.00 C ATOM 1345 CD1 TYR A 85 -35.764 1.140 -1.641 1.00 0.00 C ATOM 1346 CD2 TYR A 85 -38.055 1.487 -1.079 1.00 0.00 C ATOM 1347 CE1 TYR A 85 -36.073 -0.111 -2.142 1.00 0.00 C ATOM 1348 CE2 TYR A 85 -38.373 0.238 -1.577 1.00 0.00 C ATOM 1349 CZ TYR A 85 -37.380 -0.555 -2.110 1.00 0.00 C ATOM 1350 OH TYR A 85 -37.697 -1.797 -2.615 1.00 0.00 O ATOM 0 H TYR A 85 -36.192 5.735 -0.109 1.00 0.00 H new ATOM 0 HA TYR A 85 -34.787 3.949 -1.812 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -35.727 3.216 0.283 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -37.326 3.781 -0.158 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -34.741 1.486 -1.669 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -38.836 2.107 -0.664 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -35.297 -0.737 -2.556 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -39.393 -0.115 -1.549 1.00 0.00 H new ATOM 0 HH TYR A 85 -38.659 -1.955 -2.514 1.00 0.00 H new ATOM 1360 N THR A 86 -36.125 3.573 -3.860 1.00 0.00 N ATOM 1361 CA THR A 86 -36.793 3.475 -5.147 1.00 0.00 C ATOM 1362 C THR A 86 -38.199 2.906 -4.985 1.00 0.00 C ATOM 1363 O THR A 86 -38.403 1.971 -4.211 1.00 0.00 O ATOM 1364 CB THR A 86 -35.991 2.573 -6.099 1.00 0.00 C ATOM 1365 OG1 THR A 86 -35.780 1.298 -5.481 1.00 0.00 O ATOM 1366 CG2 THR A 86 -34.651 3.205 -6.445 1.00 0.00 C ATOM 0 H THR A 86 -35.271 3.019 -3.790 1.00 0.00 H new ATOM 0 HA THR A 86 -36.860 4.479 -5.566 1.00 0.00 H new ATOM 0 HB THR A 86 -36.558 2.447 -7.021 1.00 0.00 H new ATOM 0 HG1 THR A 86 -35.270 0.721 -6.087 1.00 0.00 H new ATOM 0 HG21 THR A 86 -34.102 2.548 -7.120 1.00 0.00 H new ATOM 0 HG22 THR A 86 -34.817 4.167 -6.930 1.00 0.00 H new ATOM 0 HG23 THR A 86 -34.073 3.354 -5.533 1.00 0.00 H new ATOM 1374 N LEU A 87 -39.157 3.476 -5.702 1.00 0.00 N ATOM 1375 CA LEU A 87 -40.537 3.012 -5.633 1.00 0.00 C ATOM 1376 C LEU A 87 -40.647 1.556 -6.079 1.00 0.00 C ATOM 1377 O LEU A 87 -40.063 1.154 -7.088 1.00 0.00 O ATOM 1378 CB LEU A 87 -41.447 3.899 -6.490 1.00 0.00 C ATOM 1379 CG LEU A 87 -41.511 5.371 -6.071 1.00 0.00 C ATOM 1380 CD1 LEU A 87 -42.455 6.141 -6.986 1.00 0.00 C ATOM 1381 CD2 LEU A 87 -41.951 5.494 -4.616 1.00 0.00 C ATOM 0 H LEU A 87 -39.005 4.259 -6.337 1.00 0.00 H new ATOM 0 HA LEU A 87 -40.862 3.077 -4.595 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -41.107 3.847 -7.524 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -42.456 3.487 -6.465 1.00 0.00 H new ATOM 0 HG LEU A 87 -40.514 5.802 -6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -42.490 7.185 -6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -42.097 6.079 -8.014 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -43.454 5.710 -6.924 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -41.991 6.547 -4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -42.939 5.049 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -41.238 4.975 -3.975 1.00 0.00 H new ATOM 1393 N GLU A 88 -41.389 0.773 -5.310 1.00 0.00 N ATOM 1394 CA GLU A 88 -41.564 -0.643 -5.587 1.00 0.00 C ATOM 1395 C GLU A 88 -42.408 -0.862 -6.838 1.00 0.00 C ATOM 1396 O GLU A 88 -43.378 -0.142 -7.088 1.00 0.00 O ATOM 1397 CB GLU A 88 -42.193 -1.337 -4.374 1.00 0.00 C ATOM 1398 CG GLU A 88 -43.427 -0.630 -3.835 1.00 0.00 C ATOM 1399 CD GLU A 88 -43.902 -1.215 -2.526 1.00 0.00 C ATOM 1400 OE1 GLU A 88 -43.154 -1.139 -1.533 1.00 0.00 O ATOM 1401 OE2 GLU A 88 -45.031 -1.741 -2.475 1.00 0.00 O ATOM 0 H GLU A 88 -41.884 1.100 -4.480 1.00 0.00 H new ATOM 0 HA GLU A 88 -40.584 -1.082 -5.775 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -42.461 -2.357 -4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -41.449 -1.406 -3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -43.205 0.428 -3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -44.229 -0.694 -4.570 1.00 0.00 H new ATOM 1408 N HIS A 89 -42.021 -1.851 -7.629 1.00 0.00 N ATOM 1409 CA HIS A 89 -42.723 -2.160 -8.863 1.00 0.00 C ATOM 1410 C HIS A 89 -43.844 -3.152 -8.587 1.00 0.00 C ATOM 1411 O HIS A 89 -44.838 -3.196 -9.304 1.00 0.00 O ATOM 1412 CB HIS A 89 -41.755 -2.721 -9.906 1.00 0.00 C ATOM 1413 CG HIS A 89 -42.351 -2.842 -11.279 1.00 0.00 C ATOM 1414 ND1 HIS A 89 -42.267 -3.984 -12.043 1.00 0.00 N ATOM 1415 CD2 HIS A 89 -43.027 -1.940 -12.032 1.00 0.00 C ATOM 1416 CE1 HIS A 89 -42.864 -3.780 -13.203 1.00 0.00 C ATOM 1417 NE2 HIS A 89 -43.332 -2.547 -13.222 1.00 0.00 N ATOM 0 H HIS A 89 -41.222 -2.455 -7.436 1.00 0.00 H new ATOM 0 HA HIS A 89 -43.155 -1.242 -9.260 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -40.876 -2.078 -9.956 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -41.413 -3.703 -9.580 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -43.279 -0.929 -11.747 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -42.954 -4.501 -14.002 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -43.838 -2.116 -13.996 1.00 0.00 H new ATOM 1426 N HIS A 90 -43.660 -3.958 -7.549 1.00 0.00 N ATOM 1427 CA HIS A 90 -44.702 -4.861 -7.081 1.00 0.00 C ATOM 1428 C HIS A 90 -45.165 -4.435 -5.699 1.00 0.00 C ATOM 1429 O HIS A 90 -44.457 -4.632 -4.713 1.00 0.00 O ATOM 1430 CB HIS A 90 -44.209 -6.309 -7.036 1.00 0.00 C ATOM 1431 CG HIS A 90 -44.389 -7.054 -8.323 1.00 0.00 C ATOM 1432 ND1 HIS A 90 -43.340 -7.459 -9.115 1.00 0.00 N ATOM 1433 CD2 HIS A 90 -45.511 -7.502 -8.935 1.00 0.00 C ATOM 1434 CE1 HIS A 90 -43.808 -8.121 -10.157 1.00 0.00 C ATOM 1435 NE2 HIS A 90 -45.124 -8.167 -10.073 1.00 0.00 N ATOM 0 H HIS A 90 -42.793 -4.004 -7.013 1.00 0.00 H new ATOM 0 HA HIS A 90 -45.534 -4.809 -7.783 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -43.152 -6.314 -6.770 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -44.739 -6.838 -6.244 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -46.525 -7.362 -8.591 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -43.212 -8.553 -10.947 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -45.748 -8.620 -10.740 1.00 0.00 H new ATOM 1444 N HIS A 91 -46.348 -3.842 -5.635 1.00 0.00 N ATOM 1445 CA HIS A 91 -46.874 -3.335 -4.377 1.00 0.00 C ATOM 1446 C HIS A 91 -47.308 -4.488 -3.481 1.00 0.00 C ATOM 1447 O HIS A 91 -47.255 -4.387 -2.258 1.00 0.00 O ATOM 1448 CB HIS A 91 -48.037 -2.368 -4.624 1.00 0.00 C ATOM 1449 CG HIS A 91 -48.453 -1.610 -3.401 1.00 0.00 C ATOM 1450 ND1 HIS A 91 -47.557 -1.146 -2.462 1.00 0.00 N ATOM 1451 CD2 HIS A 91 -49.676 -1.236 -2.963 1.00 0.00 C ATOM 1452 CE1 HIS A 91 -48.209 -0.523 -1.502 1.00 0.00 C ATOM 1453 NE2 HIS A 91 -49.496 -0.562 -1.780 1.00 0.00 N ATOM 0 H HIS A 91 -46.961 -3.700 -6.438 1.00 0.00 H new ATOM 0 HA HIS A 91 -46.082 -2.784 -3.869 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -47.751 -1.659 -5.401 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -48.892 -2.929 -5.002 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -46.545 -1.267 -2.504 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -50.619 -1.431 -3.452 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -47.764 -0.059 -0.634 1.00 0.00 H new ATOM 1462 N HIS A 92 -47.732 -5.581 -4.106 1.00 0.00 N ATOM 1463 CA HIS A 92 -48.072 -6.810 -3.400 1.00 0.00 C ATOM 1464 C HIS A 92 -48.413 -7.889 -4.415 1.00 0.00 C ATOM 1465 O HIS A 92 -48.905 -7.573 -5.500 1.00 0.00 O ATOM 1466 CB HIS A 92 -49.240 -6.597 -2.432 1.00 0.00 C ATOM 1467 CG HIS A 92 -48.909 -6.971 -1.021 1.00 0.00 C ATOM 1468 ND1 HIS A 92 -48.196 -6.150 -0.173 1.00 0.00 N ATOM 1469 CD2 HIS A 92 -49.179 -8.093 -0.316 1.00 0.00 C ATOM 1470 CE1 HIS A 92 -48.041 -6.751 0.988 1.00 0.00 C ATOM 1471 NE2 HIS A 92 -48.630 -7.930 0.932 1.00 0.00 N ATOM 0 H HIS A 92 -47.850 -5.639 -5.118 1.00 0.00 H new ATOM 0 HA HIS A 92 -47.212 -7.121 -2.806 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -49.543 -5.550 -2.463 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -50.094 -7.186 -2.767 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -47.844 -5.222 -0.408 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -49.724 -8.956 -0.669 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -47.519 -6.347 1.843 1.00 0.00 H new ATOM 1480 N HIS A 93 -48.146 -9.149 -4.052 1.00 0.00 N ATOM 1481 CA HIS A 93 -48.316 -10.297 -4.949 1.00 0.00 C ATOM 1482 C HIS A 93 -47.257 -10.290 -6.052 1.00 0.00 C ATOM 1483 O HIS A 93 -46.975 -9.261 -6.663 1.00 0.00 O ATOM 1484 CB HIS A 93 -49.731 -10.337 -5.556 1.00 0.00 C ATOM 1485 CG HIS A 93 -49.990 -11.521 -6.445 1.00 0.00 C ATOM 1486 ND1 HIS A 93 -50.585 -12.685 -6.000 1.00 0.00 N ATOM 1487 CD2 HIS A 93 -49.731 -11.715 -7.761 1.00 0.00 C ATOM 1488 CE1 HIS A 93 -50.674 -13.541 -7.002 1.00 0.00 C ATOM 1489 NE2 HIS A 93 -50.165 -12.976 -8.079 1.00 0.00 N ATOM 0 H HIS A 93 -47.805 -9.401 -3.125 1.00 0.00 H new ATOM 0 HA HIS A 93 -48.185 -11.199 -4.352 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -50.461 -10.339 -4.746 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -49.893 -9.424 -6.130 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -49.269 -11.008 -8.434 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -51.093 -14.535 -6.948 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -50.104 -13.408 -9.001 1.00 0.00 H new ATOM 1498 N HIS A 94 -46.661 -11.446 -6.288 1.00 0.00 N ATOM 1499 CA HIS A 94 -45.721 -11.610 -7.384 1.00 0.00 C ATOM 1500 C HIS A 94 -46.126 -12.809 -8.227 1.00 0.00 C ATOM 1501 O HIS A 94 -46.209 -12.667 -9.460 1.00 0.00 O ATOM 1502 CB HIS A 94 -44.267 -11.739 -6.886 1.00 0.00 C ATOM 1503 CG HIS A 94 -44.035 -12.785 -5.829 1.00 0.00 C ATOM 1504 ND1 HIS A 94 -43.598 -12.480 -4.556 1.00 0.00 N ATOM 1505 CD2 HIS A 94 -44.157 -14.136 -5.863 1.00 0.00 C ATOM 1506 CE1 HIS A 94 -43.466 -13.592 -3.858 1.00 0.00 C ATOM 1507 NE2 HIS A 94 -43.800 -14.608 -4.626 1.00 0.00 N ATOM 1508 OXT HIS A 94 -46.425 -13.867 -7.639 1.00 0.00 O ATOM 0 H HIS A 94 -46.812 -12.288 -5.733 1.00 0.00 H new ATOM 0 HA HIS A 94 -45.756 -10.713 -8.002 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -43.627 -11.962 -7.740 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -43.949 -10.773 -6.493 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -44.476 -14.729 -6.707 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -43.139 -13.658 -2.831 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -43.794 -15.589 -4.346 1.00 0.00 H new TER 1517 HIS A 94