USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 662 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 NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 150 ZNZN :(H bumps) USER MOD Set 1.1: A 69 THR OG1 : rot -133:sc= 0.343 USER MOD Set 1.2: A 70 ASN : amide:sc= -1.24 K(o=-0.9,f=-3.4!) USER MOD Set 2.1: A 23 LYS NZ :NH3+ 126:sc=-0.00392 (180deg=-0.224) USER MOD Set 2.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0095) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -1.57 K(o=-1.6,f=-5.2!) USER MOD Single : A 8 HIS : no HE2:sc= 1.06 K(o=1.1,f=-4.1!) USER MOD Single : A 10 GLN : amide:sc= -2.23! C(o=-2.2!,f=-4.7!) USER MOD Single : A 11 ASN : amide:sc= -0.801 X(o=-0.8,f=-0.52) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 156:sc= -2.65! (180deg=-4.02!) USER MOD Single : A 26 MET CE :methyl -168:sc= -0.647 (180deg=-0.978) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00642 USER MOD Single : A 32 GLN : amide:sc= -0.874 K(o=-0.87,f=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 43 MET CE :methyl 166:sc= -0.0318 (180deg=-0.219) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0214 USER MOD Single : A 46 THR OG1 : rot -131:sc= 1.19 USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 0.906 (180deg=0.87) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 149:sc= -0.558 USER MOD Single : A 58 TYR OH : rot -25:sc= 0.0939 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 68 GLN : amide:sc= 0.536 K(o=0.54,f=-4.8!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot -1:sc= -0.47 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 79 LYS NZ :NH3+ -128:sc= 1.23 (180deg=-0.417) USER MOD Single : A 82 HIS : no HD1:sc= -0.0322 X(o=-0.032,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -1.99! K(o=-2!,f=0.61) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.0406 X(o=-0.041,f=-0.42) USER MOD Single : A 87 HIS : no HD1:sc= -0.0492 X(o=-0.049,f=-0.056) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.744 -13.039 -4.878 1.00 0.00 N ATOM 2 CA MET A 1 -14.536 -12.949 -3.415 1.00 0.00 C ATOM 3 C MET A 1 -14.648 -11.505 -2.952 1.00 0.00 C ATOM 4 O MET A 1 -13.707 -10.721 -3.094 1.00 0.00 O ATOM 5 CB MET A 1 -13.160 -13.498 -3.020 1.00 0.00 C ATOM 6 CG MET A 1 -13.011 -14.999 -3.198 1.00 0.00 C ATOM 7 SD MET A 1 -11.375 -15.589 -2.709 1.00 0.00 S ATOM 8 CE MET A 1 -11.541 -17.351 -2.997 1.00 0.00 C ATOM 0 H1 MET A 1 -14.732 -14.037 -5.170 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.662 -12.617 -5.125 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.984 -12.526 -5.369 1.00 0.00 H new ATOM 0 HA MET A 1 -15.308 -13.549 -2.933 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.397 -12.996 -3.615 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.967 -13.247 -1.977 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.771 -15.510 -2.606 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.191 -15.259 -4.241 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.607 -17.851 -2.739 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.347 -17.746 -2.379 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.769 -17.528 -4.048 1.00 0.00 H new ATOM 20 N ALA A 2 -15.810 -11.149 -2.427 1.00 0.00 N ATOM 21 CA ALA A 2 -16.009 -9.835 -1.844 1.00 0.00 C ATOM 22 C ALA A 2 -15.575 -9.862 -0.388 1.00 0.00 C ATOM 23 O ALA A 2 -16.396 -9.992 0.526 1.00 0.00 O ATOM 24 CB ALA A 2 -17.458 -9.395 -1.974 1.00 0.00 C ATOM 0 H ALA A 2 -16.630 -11.754 -2.394 1.00 0.00 H new ATOM 0 HA ALA A 2 -15.401 -9.109 -2.384 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -17.580 -8.407 -1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -17.733 -9.355 -3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -18.102 -10.107 -1.458 1.00 0.00 H new ATOM 30 N ASP A 3 -14.271 -9.789 -0.188 1.00 0.00 N ATOM 31 CA ASP A 3 -13.689 -9.891 1.141 1.00 0.00 C ATOM 32 C ASP A 3 -12.750 -8.727 1.391 1.00 0.00 C ATOM 33 O ASP A 3 -12.364 -8.020 0.458 1.00 0.00 O ATOM 34 CB ASP A 3 -12.929 -11.214 1.300 1.00 0.00 C ATOM 35 CG ASP A 3 -13.842 -12.424 1.243 1.00 0.00 C ATOM 36 OD1 ASP A 3 -14.076 -12.952 0.135 1.00 0.00 O ATOM 37 OD2 ASP A 3 -14.335 -12.850 2.311 1.00 0.00 O ATOM 0 H ASP A 3 -13.589 -9.658 -0.935 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.498 -9.863 1.871 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.178 -11.293 0.514 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.396 -11.210 2.251 1.00 0.00 H new ATOM 42 N TYR A 4 -12.383 -8.531 2.646 1.00 0.00 N ATOM 43 CA TYR A 4 -11.491 -7.446 3.013 1.00 0.00 C ATOM 44 C TYR A 4 -10.042 -7.902 2.899 1.00 0.00 C ATOM 45 O TYR A 4 -9.539 -8.639 3.748 1.00 0.00 O ATOM 46 CB TYR A 4 -11.793 -6.960 4.434 1.00 0.00 C ATOM 47 CG TYR A 4 -11.103 -5.663 4.799 1.00 0.00 C ATOM 48 CD1 TYR A 4 -11.632 -4.442 4.402 1.00 0.00 C ATOM 49 CD2 TYR A 4 -9.928 -5.656 5.543 1.00 0.00 C ATOM 50 CE1 TYR A 4 -11.011 -3.254 4.732 1.00 0.00 C ATOM 51 CE2 TYR A 4 -9.300 -4.471 5.877 1.00 0.00 C ATOM 52 CZ TYR A 4 -9.847 -3.272 5.468 1.00 0.00 C ATOM 53 OH TYR A 4 -9.227 -2.088 5.798 1.00 0.00 O ATOM 0 H TYR A 4 -12.690 -9.110 3.428 1.00 0.00 H new ATOM 0 HA TYR A 4 -11.650 -6.613 2.328 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -12.870 -6.830 4.542 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -11.493 -7.732 5.143 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -12.545 -4.421 3.825 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.499 -6.593 5.865 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -11.437 -2.314 4.414 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -8.387 -4.483 6.454 1.00 0.00 H new ATOM 0 HH TYR A 4 -8.419 -2.276 6.320 1.00 0.00 H new ATOM 63 N ASN A 5 -9.393 -7.490 1.824 1.00 0.00 N ATOM 64 CA ASN A 5 -7.992 -7.816 1.603 1.00 0.00 C ATOM 65 C ASN A 5 -7.122 -6.804 2.348 1.00 0.00 C ATOM 66 O ASN A 5 -7.646 -5.942 3.055 1.00 0.00 O ATOM 67 CB ASN A 5 -7.690 -7.805 0.096 1.00 0.00 C ATOM 68 CG ASN A 5 -6.406 -8.534 -0.262 1.00 0.00 C ATOM 69 OD1 ASN A 5 -5.334 -7.934 -0.331 1.00 0.00 O ATOM 70 ND2 ASN A 5 -6.511 -9.832 -0.493 1.00 0.00 N ATOM 0 H ASN A 5 -9.815 -6.926 1.086 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.772 -8.813 1.984 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -8.522 -8.264 -0.438 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -7.622 -6.773 -0.247 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.683 -10.375 -0.739 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.420 -10.290 -0.425 1.00 0.00 H new ATOM 77 N ILE A 6 -5.809 -6.890 2.192 1.00 0.00 N ATOM 78 CA ILE A 6 -4.915 -5.963 2.869 1.00 0.00 C ATOM 79 C ILE A 6 -5.027 -4.576 2.242 1.00 0.00 C ATOM 80 O ILE A 6 -5.213 -4.450 1.027 1.00 0.00 O ATOM 81 CB ILE A 6 -3.441 -6.436 2.834 1.00 0.00 C ATOM 82 CG1 ILE A 6 -2.972 -6.660 1.393 1.00 0.00 C ATOM 83 CG2 ILE A 6 -3.273 -7.705 3.658 1.00 0.00 C ATOM 84 CD1 ILE A 6 -1.512 -7.044 1.276 1.00 0.00 C ATOM 0 H ILE A 6 -5.343 -7.585 1.609 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.222 -5.924 3.914 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.820 -5.654 3.271 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.581 -7.443 0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.145 -5.750 0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.232 -8.026 3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.559 -7.508 4.691 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.908 -8.491 3.249 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.256 -7.185 0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.893 -6.252 1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.335 -7.972 1.820 1.00 0.00 H new ATOM 96 N PRO A 7 -4.944 -3.523 3.071 1.00 0.00 N ATOM 97 CA PRO A 7 -5.101 -2.133 2.627 1.00 0.00 C ATOM 98 C PRO A 7 -4.220 -1.782 1.429 1.00 0.00 C ATOM 99 O PRO A 7 -2.998 -1.694 1.538 1.00 0.00 O ATOM 100 CB PRO A 7 -4.692 -1.319 3.856 1.00 0.00 C ATOM 101 CG PRO A 7 -4.990 -2.214 5.007 1.00 0.00 C ATOM 102 CD PRO A 7 -4.699 -3.607 4.523 1.00 0.00 C ATOM 0 HA PRO A 7 -6.116 -1.935 2.283 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.636 -1.052 3.823 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.254 -0.387 3.921 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.373 -1.962 5.869 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.030 -2.117 5.320 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.672 -3.902 4.741 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.349 -4.341 4.998 1.00 0.00 H new ATOM 110 N HIS A 8 -4.859 -1.612 0.282 1.00 0.00 N ATOM 111 CA HIS A 8 -4.173 -1.189 -0.926 1.00 0.00 C ATOM 112 C HIS A 8 -4.407 0.294 -1.153 1.00 0.00 C ATOM 113 O HIS A 8 -5.537 0.729 -1.358 1.00 0.00 O ATOM 114 CB HIS A 8 -4.650 -1.993 -2.139 1.00 0.00 C ATOM 115 CG HIS A 8 -3.967 -3.320 -2.303 1.00 0.00 C ATOM 116 ND1 HIS A 8 -4.200 -4.400 -1.480 1.00 0.00 N ATOM 117 CD2 HIS A 8 -3.057 -3.741 -3.217 1.00 0.00 C ATOM 118 CE1 HIS A 8 -3.468 -5.424 -1.879 1.00 0.00 C ATOM 119 NE2 HIS A 8 -2.765 -5.051 -2.931 1.00 0.00 N ATOM 0 H HIS A 8 -5.861 -1.762 0.164 1.00 0.00 H new ATOM 0 HA HIS A 8 -3.106 -1.372 -0.801 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.724 -2.158 -2.053 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -4.490 -1.400 -3.040 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -4.839 -4.407 -0.685 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -2.639 -3.154 -4.021 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.448 -6.402 -1.421 1.00 0.00 H new ATOM 128 N PHE A 9 -3.341 1.065 -1.096 1.00 0.00 N ATOM 129 CA PHE A 9 -3.439 2.502 -1.265 1.00 0.00 C ATOM 130 C PHE A 9 -2.992 2.892 -2.666 1.00 0.00 C ATOM 131 O PHE A 9 -2.572 2.038 -3.449 1.00 0.00 O ATOM 132 CB PHE A 9 -2.608 3.214 -0.197 1.00 0.00 C ATOM 133 CG PHE A 9 -2.998 2.826 1.205 1.00 0.00 C ATOM 134 CD1 PHE A 9 -4.294 3.018 1.659 1.00 0.00 C ATOM 135 CD2 PHE A 9 -2.070 2.265 2.068 1.00 0.00 C ATOM 136 CE1 PHE A 9 -4.656 2.660 2.943 1.00 0.00 C ATOM 137 CE2 PHE A 9 -2.427 1.905 3.354 1.00 0.00 C ATOM 138 CZ PHE A 9 -3.722 2.103 3.792 1.00 0.00 C ATOM 0 H PHE A 9 -2.395 0.721 -0.934 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.477 2.811 -1.144 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.554 2.985 -0.352 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.721 4.292 -0.315 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.030 3.453 1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.056 2.107 1.732 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.669 2.816 3.282 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.694 1.469 4.016 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.003 1.823 4.796 1.00 0.00 H new ATOM 148 N GLN A 10 -3.085 4.172 -2.980 1.00 0.00 N ATOM 149 CA GLN A 10 -2.842 4.645 -4.334 1.00 0.00 C ATOM 150 C GLN A 10 -1.944 5.872 -4.334 1.00 0.00 C ATOM 151 O GLN A 10 -1.986 6.675 -3.408 1.00 0.00 O ATOM 152 CB GLN A 10 -4.184 4.957 -5.013 1.00 0.00 C ATOM 153 CG GLN A 10 -5.107 5.869 -4.200 1.00 0.00 C ATOM 154 CD GLN A 10 -4.823 7.352 -4.373 1.00 0.00 C ATOM 155 OE1 GLN A 10 -5.032 8.139 -3.451 1.00 0.00 O ATOM 156 NE2 GLN A 10 -4.360 7.747 -5.548 1.00 0.00 N ATOM 0 H GLN A 10 -3.328 4.906 -2.314 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.328 3.863 -4.892 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.989 5.425 -5.978 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.703 4.020 -5.212 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.140 5.672 -4.487 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.015 5.613 -3.144 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.199 7.064 -6.289 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.164 8.734 -5.713 1.00 0.00 H new ATOM 165 N ASN A 11 -1.124 6.011 -5.363 1.00 0.00 N ATOM 166 CA ASN A 11 -0.351 7.227 -5.536 1.00 0.00 C ATOM 167 C ASN A 11 -0.508 7.746 -6.962 1.00 0.00 C ATOM 168 O ASN A 11 0.190 7.330 -7.886 1.00 0.00 O ATOM 169 CB ASN A 11 1.131 7.016 -5.153 1.00 0.00 C ATOM 170 CG ASN A 11 1.875 6.006 -6.022 1.00 0.00 C ATOM 171 OD1 ASN A 11 1.798 4.797 -5.801 1.00 0.00 O ATOM 172 ND2 ASN A 11 2.635 6.499 -6.992 1.00 0.00 N ATOM 0 H ASN A 11 -0.978 5.304 -6.084 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.738 7.986 -4.857 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.647 7.974 -5.210 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.181 6.688 -4.115 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.179 5.870 -7.583 1.00 0.00 H new ATOM 0 HD22 ASN A 11 2.675 7.506 -7.147 1.00 0.00 H new ATOM 179 N ASP A 12 -1.470 8.631 -7.140 1.00 0.00 N ATOM 180 CA ASP A 12 -1.699 9.272 -8.425 1.00 0.00 C ATOM 181 C ASP A 12 -0.855 10.531 -8.538 1.00 0.00 C ATOM 182 O ASP A 12 -0.293 10.824 -9.589 1.00 0.00 O ATOM 183 CB ASP A 12 -3.189 9.593 -8.622 1.00 0.00 C ATOM 184 CG ASP A 12 -3.734 10.570 -7.592 1.00 0.00 C ATOM 185 OD1 ASP A 12 -3.538 10.336 -6.380 1.00 0.00 O ATOM 186 OD2 ASP A 12 -4.363 11.572 -7.996 1.00 0.00 O ATOM 0 H ASP A 12 -2.112 8.926 -6.404 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.402 8.581 -9.214 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.336 10.008 -9.619 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.763 8.667 -8.574 1.00 0.00 H new ATOM 191 N LEU A 13 -0.757 11.256 -7.430 1.00 0.00 N ATOM 192 CA LEU A 13 0.024 12.485 -7.380 1.00 0.00 C ATOM 193 C LEU A 13 1.458 12.214 -6.929 1.00 0.00 C ATOM 194 O LEU A 13 2.270 13.131 -6.833 1.00 0.00 O ATOM 195 CB LEU A 13 -0.662 13.505 -6.455 1.00 0.00 C ATOM 196 CG LEU A 13 -1.169 12.961 -5.109 1.00 0.00 C ATOM 197 CD1 LEU A 13 -0.025 12.714 -4.138 1.00 0.00 C ATOM 198 CD2 LEU A 13 -2.184 13.915 -4.501 1.00 0.00 C ATOM 0 H LEU A 13 -1.211 11.012 -6.550 1.00 0.00 H new ATOM 0 HA LEU A 13 0.074 12.902 -8.386 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.040 14.314 -6.256 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.506 13.940 -6.990 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.653 12.003 -5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.422 12.330 -3.198 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.664 11.986 -4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.504 13.649 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.533 13.516 -3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.718 14.887 -4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.030 14.027 -5.180 1.00 0.00 H new ATOM 210 N GLY A 14 1.755 10.947 -6.657 1.00 0.00 N ATOM 211 CA GLY A 14 3.092 10.564 -6.238 1.00 0.00 C ATOM 212 C GLY A 14 3.459 11.102 -4.865 1.00 0.00 C ATOM 213 O GLY A 14 4.182 12.094 -4.751 1.00 0.00 O ATOM 0 H GLY A 14 1.091 10.175 -6.720 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.167 9.477 -6.228 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.814 10.926 -6.970 1.00 0.00 H new ATOM 217 N TYR A 15 2.963 10.455 -3.818 1.00 0.00 N ATOM 218 CA TYR A 15 3.272 10.869 -2.457 1.00 0.00 C ATOM 219 C TYR A 15 4.578 10.220 -2.014 1.00 0.00 C ATOM 220 O TYR A 15 4.700 8.998 -2.004 1.00 0.00 O ATOM 221 CB TYR A 15 2.137 10.489 -1.513 1.00 0.00 C ATOM 222 CG TYR A 15 1.954 11.454 -0.365 1.00 0.00 C ATOM 223 CD1 TYR A 15 2.696 11.336 0.802 1.00 0.00 C ATOM 224 CD2 TYR A 15 1.033 12.487 -0.454 1.00 0.00 C ATOM 225 CE1 TYR A 15 2.520 12.220 1.851 1.00 0.00 C ATOM 226 CE2 TYR A 15 0.852 13.375 0.587 1.00 0.00 C ATOM 227 CZ TYR A 15 1.597 13.239 1.737 1.00 0.00 C ATOM 228 OH TYR A 15 1.416 14.123 2.779 1.00 0.00 O ATOM 0 H TYR A 15 2.347 9.645 -3.885 1.00 0.00 H new ATOM 0 HA TYR A 15 3.385 11.953 -2.429 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.208 10.432 -2.080 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.327 9.493 -1.112 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.422 10.542 0.892 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.447 12.599 -1.354 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.102 12.113 2.754 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.129 14.173 0.500 1.00 0.00 H new ATOM 0 HH TYR A 15 0.730 14.780 2.536 1.00 0.00 H new ATOM 238 N LYS A 16 5.546 11.047 -1.647 1.00 0.00 N ATOM 239 CA LYS A 16 6.924 10.597 -1.475 1.00 0.00 C ATOM 240 C LYS A 16 7.149 9.778 -0.204 1.00 0.00 C ATOM 241 O LYS A 16 7.988 8.876 -0.190 1.00 0.00 O ATOM 242 CB LYS A 16 7.863 11.801 -1.501 1.00 0.00 C ATOM 243 CG LYS A 16 9.337 11.438 -1.453 1.00 0.00 C ATOM 244 CD LYS A 16 10.223 12.642 -1.734 1.00 0.00 C ATOM 245 CE LYS A 16 10.296 12.977 -3.221 1.00 0.00 C ATOM 246 NZ LYS A 16 8.982 13.385 -3.795 1.00 0.00 N ATOM 0 H LYS A 16 5.403 12.040 -1.461 1.00 0.00 H new ATOM 0 HA LYS A 16 7.141 9.927 -2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.671 12.379 -2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.631 12.448 -0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.579 11.029 -0.472 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.543 10.656 -2.184 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.842 13.505 -1.188 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.227 12.446 -1.359 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.016 13.781 -3.371 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.669 12.109 -3.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.139 13.969 -4.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.439 12.537 -4.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.450 13.933 -3.089 1.00 0.00 H new ATOM 260 N ILE A 17 6.434 10.086 0.863 1.00 0.00 N ATOM 261 CA ILE A 17 6.618 9.360 2.112 1.00 0.00 C ATOM 262 C ILE A 17 5.272 8.953 2.689 1.00 0.00 C ATOM 263 O ILE A 17 4.484 9.804 3.100 1.00 0.00 O ATOM 264 CB ILE A 17 7.391 10.190 3.163 1.00 0.00 C ATOM 265 CG1 ILE A 17 8.707 10.714 2.577 1.00 0.00 C ATOM 266 CG2 ILE A 17 7.666 9.339 4.396 1.00 0.00 C ATOM 267 CD1 ILE A 17 9.491 11.594 3.528 1.00 0.00 C ATOM 0 H ILE A 17 5.729 10.823 0.894 1.00 0.00 H new ATOM 0 HA ILE A 17 7.209 8.474 1.879 1.00 0.00 H new ATOM 0 HB ILE A 17 6.779 11.045 3.450 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.327 9.866 2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.491 11.278 1.669 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.211 9.930 5.132 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.722 9.005 4.826 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.263 8.472 4.114 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.409 11.926 3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.890 12.462 3.800 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.739 11.028 4.426 1.00 0.00 H new ATOM 279 N ILE A 18 4.998 7.658 2.690 1.00 0.00 N ATOM 280 CA ILE A 18 3.734 7.157 3.229 1.00 0.00 C ATOM 281 C ILE A 18 3.919 6.405 4.551 1.00 0.00 C ATOM 282 O ILE A 18 4.665 5.437 4.629 1.00 0.00 O ATOM 283 CB ILE A 18 3.023 6.218 2.230 1.00 0.00 C ATOM 284 CG1 ILE A 18 2.752 6.938 0.909 1.00 0.00 C ATOM 285 CG2 ILE A 18 1.721 5.710 2.830 1.00 0.00 C ATOM 286 CD1 ILE A 18 1.706 8.024 1.017 1.00 0.00 C ATOM 0 H ILE A 18 5.623 6.938 2.329 1.00 0.00 H new ATOM 0 HA ILE A 18 3.121 8.041 3.407 1.00 0.00 H new ATOM 0 HB ILE A 18 3.676 5.369 2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.682 7.375 0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.431 6.208 0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.226 5.049 2.119 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.933 5.162 3.748 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.069 6.555 3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.565 8.492 0.043 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.764 7.590 1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.034 8.775 1.736 1.00 0.00 H new ATOM 298 N GLU A 19 3.213 6.847 5.583 1.00 0.00 N ATOM 299 CA GLU A 19 3.137 6.106 6.839 1.00 0.00 C ATOM 300 C GLU A 19 1.932 5.165 6.809 1.00 0.00 C ATOM 301 O GLU A 19 0.846 5.550 6.376 1.00 0.00 O ATOM 302 CB GLU A 19 2.998 7.054 8.041 1.00 0.00 C ATOM 303 CG GLU A 19 4.289 7.724 8.486 1.00 0.00 C ATOM 304 CD GLU A 19 4.843 8.702 7.473 1.00 0.00 C ATOM 305 OE1 GLU A 19 4.109 9.627 7.069 1.00 0.00 O ATOM 306 OE2 GLU A 19 6.022 8.561 7.093 1.00 0.00 O ATOM 0 H GLU A 19 2.682 7.718 5.577 1.00 0.00 H new ATOM 0 HA GLU A 19 4.061 5.537 6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.272 7.828 7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.589 6.493 8.881 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.112 8.248 9.425 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.037 6.957 8.685 1.00 0.00 H new ATOM 313 N ILE A 20 2.127 3.930 7.258 1.00 0.00 N ATOM 314 CA ILE A 20 1.054 2.936 7.270 1.00 0.00 C ATOM 315 C ILE A 20 1.162 2.027 8.491 1.00 0.00 C ATOM 316 O ILE A 20 2.205 1.972 9.144 1.00 0.00 O ATOM 317 CB ILE A 20 1.059 2.056 5.997 1.00 0.00 C ATOM 318 CG1 ILE A 20 2.461 1.497 5.732 1.00 0.00 C ATOM 319 CG2 ILE A 20 0.554 2.842 4.798 1.00 0.00 C ATOM 320 CD1 ILE A 20 2.539 0.617 4.502 1.00 0.00 C ATOM 0 H ILE A 20 3.018 3.591 7.619 1.00 0.00 H new ATOM 0 HA ILE A 20 0.120 3.497 7.305 1.00 0.00 H new ATOM 0 HB ILE A 20 0.384 1.216 6.159 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.159 2.327 5.620 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.785 0.923 6.600 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.566 2.205 3.914 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.465 3.181 4.988 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.198 3.705 4.631 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.560 0.257 4.376 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.866 -0.233 4.619 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.247 1.193 3.624 1.00 0.00 H new ATOM 332 N GLY A 21 0.082 1.314 8.792 1.00 0.00 N ATOM 333 CA GLY A 21 0.085 0.386 9.912 1.00 0.00 C ATOM 334 C GLY A 21 0.169 -1.061 9.459 1.00 0.00 C ATOM 335 O GLY A 21 -0.021 -1.986 10.252 1.00 0.00 O ATOM 0 H GLY A 21 -0.799 1.361 8.280 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.929 0.610 10.565 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.821 0.528 10.502 1.00 0.00 H new ATOM 339 N VAL A 22 0.462 -1.259 8.180 1.00 0.00 N ATOM 340 CA VAL A 22 0.535 -2.595 7.603 1.00 0.00 C ATOM 341 C VAL A 22 1.934 -2.833 7.040 1.00 0.00 C ATOM 342 O VAL A 22 2.555 -1.909 6.519 1.00 0.00 O ATOM 343 CB VAL A 22 -0.519 -2.777 6.484 1.00 0.00 C ATOM 344 CG1 VAL A 22 -0.541 -4.211 5.975 1.00 0.00 C ATOM 345 CG2 VAL A 22 -1.898 -2.363 6.976 1.00 0.00 C ATOM 0 H VAL A 22 0.654 -0.506 7.519 1.00 0.00 H new ATOM 0 HA VAL A 22 0.326 -3.321 8.388 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.239 -2.131 5.652 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.291 -4.307 5.190 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.439 -4.470 5.574 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.787 -4.885 6.796 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.626 -2.498 6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.180 -2.979 7.830 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.878 -1.315 7.275 1.00 0.00 H new ATOM 355 N LYS A 23 2.431 -4.059 7.161 1.00 0.00 N ATOM 356 CA LYS A 23 3.784 -4.378 6.716 1.00 0.00 C ATOM 357 C LYS A 23 3.791 -4.904 5.283 1.00 0.00 C ATOM 358 O LYS A 23 4.806 -4.827 4.591 1.00 0.00 O ATOM 359 CB LYS A 23 4.427 -5.413 7.641 1.00 0.00 C ATOM 360 CG LYS A 23 4.476 -4.989 9.098 1.00 0.00 C ATOM 361 CD LYS A 23 5.243 -5.996 9.939 1.00 0.00 C ATOM 362 CE LYS A 23 5.184 -5.653 11.420 1.00 0.00 C ATOM 363 NZ LYS A 23 3.805 -5.769 11.965 1.00 0.00 N ATOM 0 H LYS A 23 1.920 -4.846 7.562 1.00 0.00 H new ATOM 0 HA LYS A 23 4.362 -3.454 6.750 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.874 -6.349 7.563 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.442 -5.613 7.297 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.948 -4.010 9.179 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.462 -4.887 9.484 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.831 -6.992 9.779 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.283 -6.025 9.613 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.849 -6.317 11.972 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.549 -4.637 11.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.811 -6.398 12.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.463 -4.828 12.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.176 -6.162 11.236 1.00 0.00 H new ATOM 377 N GLU A 24 2.664 -5.455 4.851 1.00 0.00 N ATOM 378 CA GLU A 24 2.542 -5.971 3.495 1.00 0.00 C ATOM 379 C GLU A 24 1.823 -4.960 2.614 1.00 0.00 C ATOM 380 O GLU A 24 0.655 -4.644 2.847 1.00 0.00 O ATOM 381 CB GLU A 24 1.772 -7.300 3.465 1.00 0.00 C ATOM 382 CG GLU A 24 2.292 -8.358 4.424 1.00 0.00 C ATOM 383 CD GLU A 24 1.735 -8.205 5.825 1.00 0.00 C ATOM 384 OE1 GLU A 24 0.537 -8.489 6.023 1.00 0.00 O ATOM 385 OE2 GLU A 24 2.492 -7.810 6.735 1.00 0.00 O ATOM 0 H GLU A 24 1.823 -5.556 5.419 1.00 0.00 H new ATOM 0 HA GLU A 24 3.550 -6.145 3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.725 -7.103 3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.805 -7.700 2.452 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.035 -9.346 4.042 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.380 -8.304 4.462 1.00 0.00 H new ATOM 392 N PHE A 25 2.515 -4.447 1.610 1.00 0.00 N ATOM 393 CA PHE A 25 1.910 -3.500 0.690 1.00 0.00 C ATOM 394 C PHE A 25 2.358 -3.773 -0.739 1.00 0.00 C ATOM 395 O PHE A 25 3.487 -4.198 -0.979 1.00 0.00 O ATOM 396 CB PHE A 25 2.270 -2.066 1.091 1.00 0.00 C ATOM 397 CG PHE A 25 1.535 -1.025 0.298 1.00 0.00 C ATOM 398 CD1 PHE A 25 0.248 -0.657 0.647 1.00 0.00 C ATOM 399 CD2 PHE A 25 2.123 -0.425 -0.803 1.00 0.00 C ATOM 400 CE1 PHE A 25 -0.437 0.289 -0.085 1.00 0.00 C ATOM 401 CE2 PHE A 25 1.442 0.523 -1.536 1.00 0.00 C ATOM 402 CZ PHE A 25 0.160 0.881 -1.177 1.00 0.00 C ATOM 0 H PHE A 25 3.491 -4.669 1.412 1.00 0.00 H new ATOM 0 HA PHE A 25 0.828 -3.620 0.740 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.052 -1.927 2.150 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.343 -1.919 0.964 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.225 -1.116 1.502 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.126 -0.703 -1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.442 0.566 0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.913 0.985 -2.391 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.375 1.624 -1.750 1.00 0.00 H new ATOM 412 N MET A 26 1.463 -3.542 -1.685 1.00 0.00 N ATOM 413 CA MET A 26 1.794 -3.668 -3.094 1.00 0.00 C ATOM 414 C MET A 26 1.419 -2.377 -3.808 1.00 0.00 C ATOM 415 O MET A 26 0.248 -1.997 -3.847 1.00 0.00 O ATOM 416 CB MET A 26 1.070 -4.866 -3.722 1.00 0.00 C ATOM 417 CG MET A 26 1.762 -5.425 -4.959 1.00 0.00 C ATOM 418 SD MET A 26 1.782 -4.285 -6.356 1.00 0.00 S ATOM 419 CE MET A 26 2.832 -5.179 -7.497 1.00 0.00 C ATOM 0 H MET A 26 0.499 -3.265 -1.502 1.00 0.00 H new ATOM 0 HA MET A 26 2.865 -3.842 -3.198 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.983 -5.657 -2.977 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.056 -4.567 -3.989 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.788 -5.689 -4.702 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.262 -6.345 -5.260 1.00 0.00 H new ATOM 0 HE1 MET A 26 3.118 -4.523 -8.319 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.727 -5.520 -6.977 1.00 0.00 H new ATOM 0 HE3 MET A 26 2.291 -6.040 -7.891 1.00 0.00 H new ATOM 429 N CYS A 27 2.419 -1.699 -4.348 1.00 0.00 N ATOM 430 CA CYS A 27 2.211 -0.412 -4.986 1.00 0.00 C ATOM 431 C CYS A 27 1.679 -0.581 -6.403 1.00 0.00 C ATOM 432 O CYS A 27 2.406 -1.002 -7.304 1.00 0.00 O ATOM 433 CB CYS A 27 3.521 0.376 -5.004 1.00 0.00 C ATOM 434 SG CYS A 27 3.461 1.910 -5.963 1.00 0.00 S ATOM 0 H CYS A 27 3.387 -2.022 -4.356 1.00 0.00 H new ATOM 0 HA CYS A 27 1.467 0.139 -4.411 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.801 0.615 -3.978 1.00 0.00 H new ATOM 0 HB3 CYS A 27 4.308 -0.260 -5.409 1.00 0.00 H new ATOM 439 N VAL A 28 0.406 -0.255 -6.589 1.00 0.00 N ATOM 440 CA VAL A 28 -0.223 -0.332 -7.902 1.00 0.00 C ATOM 441 C VAL A 28 0.100 0.907 -8.737 1.00 0.00 C ATOM 442 O VAL A 28 0.176 0.840 -9.963 1.00 0.00 O ATOM 443 CB VAL A 28 -1.756 -0.494 -7.786 1.00 0.00 C ATOM 444 CG1 VAL A 28 -2.103 -1.792 -7.074 1.00 0.00 C ATOM 445 CG2 VAL A 28 -2.381 0.690 -7.058 1.00 0.00 C ATOM 0 H VAL A 28 -0.213 0.066 -5.845 1.00 0.00 H new ATOM 0 HA VAL A 28 0.182 -1.213 -8.400 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.166 -0.527 -8.796 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.186 -1.889 -7.002 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.700 -2.634 -7.636 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.672 -1.784 -6.073 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.460 0.548 -6.992 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.962 0.762 -6.054 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.169 1.608 -7.607 1.00 0.00 H new ATOM 455 N GLY A 29 0.308 2.032 -8.063 1.00 0.00 N ATOM 456 CA GLY A 29 0.591 3.270 -8.755 1.00 0.00 C ATOM 457 C GLY A 29 -0.646 3.859 -9.399 1.00 0.00 C ATOM 458 O GLY A 29 -1.515 4.397 -8.710 1.00 0.00 O ATOM 0 H GLY A 29 0.285 2.106 -7.046 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.011 3.990 -8.052 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.347 3.093 -9.519 1.00 0.00 H new ATOM 462 N ALA A 30 -0.731 3.747 -10.720 1.00 0.00 N ATOM 463 CA ALA A 30 -1.868 4.269 -11.463 1.00 0.00 C ATOM 464 C ALA A 30 -1.968 3.618 -12.841 1.00 0.00 C ATOM 465 O ALA A 30 -2.766 2.709 -13.052 1.00 0.00 O ATOM 466 CB ALA A 30 -1.768 5.783 -11.599 1.00 0.00 C ATOM 0 H ALA A 30 -0.022 3.297 -11.299 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.773 4.027 -10.906 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.627 6.156 -12.157 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.755 6.237 -10.608 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.851 6.041 -12.129 1.00 0.00 H new ATOM 472 N THR A 31 -1.131 4.068 -13.768 1.00 0.00 N ATOM 473 CA THR A 31 -1.175 3.583 -15.141 1.00 0.00 C ATOM 474 C THR A 31 -0.106 2.522 -15.398 1.00 0.00 C ATOM 475 O THR A 31 0.137 2.145 -16.547 1.00 0.00 O ATOM 476 CB THR A 31 -0.990 4.749 -16.129 1.00 0.00 C ATOM 477 OG1 THR A 31 0.147 5.538 -15.750 1.00 0.00 O ATOM 478 CG2 THR A 31 -2.234 5.626 -16.171 1.00 0.00 C ATOM 0 H THR A 31 -0.412 4.770 -13.593 1.00 0.00 H new ATOM 0 HA THR A 31 -2.153 3.127 -15.293 1.00 0.00 H new ATOM 0 HB THR A 31 -0.826 4.332 -17.123 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.259 6.277 -16.384 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.080 6.443 -16.876 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.089 5.029 -16.489 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.425 6.034 -15.179 1.00 0.00 H new ATOM 486 N GLN A 32 0.501 2.030 -14.316 1.00 0.00 N ATOM 487 CA GLN A 32 1.600 1.062 -14.388 1.00 0.00 C ATOM 488 C GLN A 32 2.793 1.641 -15.160 1.00 0.00 C ATOM 489 O GLN A 32 2.866 1.549 -16.388 1.00 0.00 O ATOM 490 CB GLN A 32 1.144 -0.258 -15.023 1.00 0.00 C ATOM 491 CG GLN A 32 -0.066 -0.879 -14.341 1.00 0.00 C ATOM 492 CD GLN A 32 -0.438 -2.236 -14.914 1.00 0.00 C ATOM 493 OE1 GLN A 32 -1.003 -3.085 -14.222 1.00 0.00 O ATOM 494 NE2 GLN A 32 -0.111 -2.457 -16.180 1.00 0.00 N ATOM 0 H GLN A 32 0.245 2.291 -13.364 1.00 0.00 H new ATOM 0 HA GLN A 32 1.917 0.854 -13.366 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.908 -0.084 -16.073 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.970 -0.969 -14.995 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.138 -0.984 -13.276 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.917 -0.204 -14.437 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.356 -1.729 -16.721 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.327 -3.355 -16.613 1.00 0.00 H new ATOM 503 N PRO A 33 3.744 2.261 -14.439 1.00 0.00 N ATOM 504 CA PRO A 33 4.921 2.899 -15.050 1.00 0.00 C ATOM 505 C PRO A 33 5.901 1.886 -15.641 1.00 0.00 C ATOM 506 O PRO A 33 6.802 2.242 -16.399 1.00 0.00 O ATOM 507 CB PRO A 33 5.563 3.652 -13.881 1.00 0.00 C ATOM 508 CG PRO A 33 5.115 2.916 -12.664 1.00 0.00 C ATOM 509 CD PRO A 33 3.738 2.396 -12.975 1.00 0.00 C ATOM 0 HA PRO A 33 4.645 3.539 -15.888 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.650 3.657 -13.963 1.00 0.00 H new ATOM 0 HB3 PRO A 33 5.240 4.693 -13.855 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.797 2.098 -12.430 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.096 3.574 -11.795 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.550 1.441 -12.485 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.963 3.085 -12.639 1.00 0.00 H new ATOM 517 N PHE A 34 5.715 0.624 -15.284 1.00 0.00 N ATOM 518 CA PHE A 34 6.550 -0.457 -15.782 1.00 0.00 C ATOM 519 C PHE A 34 5.663 -1.626 -16.175 1.00 0.00 C ATOM 520 O PHE A 34 4.437 -1.494 -16.207 1.00 0.00 O ATOM 521 CB PHE A 34 7.551 -0.910 -14.709 1.00 0.00 C ATOM 522 CG PHE A 34 8.562 0.132 -14.328 1.00 0.00 C ATOM 523 CD1 PHE A 34 9.735 0.273 -15.050 1.00 0.00 C ATOM 524 CD2 PHE A 34 8.345 0.965 -13.242 1.00 0.00 C ATOM 525 CE1 PHE A 34 10.671 1.225 -14.698 1.00 0.00 C ATOM 526 CE2 PHE A 34 9.278 1.920 -12.885 1.00 0.00 C ATOM 527 CZ PHE A 34 10.443 2.049 -13.613 1.00 0.00 C ATOM 0 H PHE A 34 4.982 0.322 -14.642 1.00 0.00 H new ATOM 0 HA PHE A 34 7.110 -0.102 -16.647 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.000 -1.208 -13.817 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.076 -1.795 -15.069 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.920 -0.369 -15.898 1.00 0.00 H new ATOM 0 HD2 PHE A 34 7.436 0.867 -12.668 1.00 0.00 H new ATOM 0 HE1 PHE A 34 11.581 1.325 -15.271 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.096 2.564 -12.038 1.00 0.00 H new ATOM 0 HZ PHE A 34 11.175 2.793 -13.335 1.00 0.00 H new ATOM 537 N ASP A 35 6.274 -2.759 -16.484 1.00 0.00 N ATOM 538 CA ASP A 35 5.517 -3.985 -16.675 1.00 0.00 C ATOM 539 C ASP A 35 4.981 -4.438 -15.329 1.00 0.00 C ATOM 540 O ASP A 35 5.713 -4.416 -14.335 1.00 0.00 O ATOM 541 CB ASP A 35 6.382 -5.081 -17.304 1.00 0.00 C ATOM 542 CG ASP A 35 6.770 -4.767 -18.734 1.00 0.00 C ATOM 543 OD1 ASP A 35 5.929 -4.955 -19.641 1.00 0.00 O ATOM 544 OD2 ASP A 35 7.922 -4.343 -18.966 1.00 0.00 O ATOM 0 H ASP A 35 7.282 -2.855 -16.607 1.00 0.00 H new ATOM 0 HA ASP A 35 4.691 -3.793 -17.360 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.284 -5.214 -16.707 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.840 -6.026 -17.278 1.00 0.00 H new ATOM 549 N HIS A 36 3.710 -4.840 -15.306 1.00 0.00 N ATOM 550 CA HIS A 36 2.990 -5.128 -14.060 1.00 0.00 C ATOM 551 C HIS A 36 2.699 -3.813 -13.319 1.00 0.00 C ATOM 552 O HIS A 36 3.256 -2.775 -13.675 1.00 0.00 O ATOM 553 CB HIS A 36 3.775 -6.107 -13.164 1.00 0.00 C ATOM 554 CG HIS A 36 4.008 -7.449 -13.790 1.00 0.00 C ATOM 555 ND1 HIS A 36 5.263 -7.936 -14.086 1.00 0.00 N ATOM 556 CD2 HIS A 36 3.138 -8.416 -14.161 1.00 0.00 C ATOM 557 CE1 HIS A 36 5.152 -9.141 -14.614 1.00 0.00 C ATOM 558 NE2 HIS A 36 3.873 -9.457 -14.669 1.00 0.00 N ATOM 0 H HIS A 36 3.149 -4.976 -16.147 1.00 0.00 H new ATOM 0 HA HIS A 36 2.046 -5.613 -14.309 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.738 -5.662 -12.913 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.233 -6.243 -12.228 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.062 -8.376 -14.073 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.971 -9.763 -14.945 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.493 -10.332 -15.030 1.00 0.00 H new ATOM 567 N PRO A 37 1.791 -3.829 -12.314 1.00 0.00 N ATOM 568 CA PRO A 37 1.424 -2.638 -11.532 1.00 0.00 C ATOM 569 C PRO A 37 2.616 -1.741 -11.206 1.00 0.00 C ATOM 570 O PRO A 37 2.708 -0.605 -11.685 1.00 0.00 O ATOM 571 CB PRO A 37 0.817 -3.218 -10.244 1.00 0.00 C ATOM 572 CG PRO A 37 0.794 -4.707 -10.414 1.00 0.00 C ATOM 573 CD PRO A 37 1.017 -4.990 -11.873 1.00 0.00 C ATOM 0 HA PRO A 37 0.743 -1.995 -12.089 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.411 -2.936 -9.375 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.189 -2.831 -10.081 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.569 -5.176 -9.808 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.160 -5.117 -10.084 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.562 -5.921 -12.026 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.076 -5.079 -12.416 1.00 0.00 H new ATOM 581 N HIS A 38 3.519 -2.257 -10.392 1.00 0.00 N ATOM 582 CA HIS A 38 4.773 -1.578 -10.100 1.00 0.00 C ATOM 583 C HIS A 38 5.693 -2.464 -9.267 1.00 0.00 C ATOM 584 O HIS A 38 6.363 -3.342 -9.798 1.00 0.00 O ATOM 585 CB HIS A 38 4.544 -0.233 -9.388 1.00 0.00 C ATOM 586 CG HIS A 38 5.785 0.604 -9.305 1.00 0.00 C ATOM 587 ND1 HIS A 38 6.087 1.446 -8.234 1.00 0.00 N ATOM 588 CD2 HIS A 38 6.821 0.714 -10.173 1.00 0.00 C ATOM 589 CE1 HIS A 38 7.261 2.022 -8.473 1.00 0.00 C ATOM 590 NE2 HIS A 38 7.716 1.597 -9.630 1.00 0.00 N ATOM 0 H HIS A 38 3.407 -3.152 -9.916 1.00 0.00 H new ATOM 0 HA HIS A 38 5.254 -1.373 -11.056 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.771 0.325 -9.916 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.170 -0.420 -8.381 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.922 0.200 -11.118 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.760 2.725 -7.822 1.00 0.00 H new ATOM 0 HE2 HIS A 38 8.598 1.880 -10.057 1.00 0.00 H new ATOM 598 N ILE A 39 5.695 -2.247 -7.958 1.00 0.00 N ATOM 599 CA ILE A 39 6.651 -2.889 -7.062 1.00 0.00 C ATOM 600 C ILE A 39 5.982 -3.148 -5.714 1.00 0.00 C ATOM 601 O ILE A 39 5.246 -2.294 -5.215 1.00 0.00 O ATOM 602 CB ILE A 39 7.912 -2.000 -6.851 1.00 0.00 C ATOM 603 CG1 ILE A 39 8.658 -1.760 -8.173 1.00 0.00 C ATOM 604 CG2 ILE A 39 8.861 -2.615 -5.832 1.00 0.00 C ATOM 605 CD1 ILE A 39 9.303 -3.004 -8.749 1.00 0.00 C ATOM 0 H ILE A 39 5.038 -1.624 -7.488 1.00 0.00 H new ATOM 0 HA ILE A 39 6.968 -3.829 -7.514 1.00 0.00 H new ATOM 0 HB ILE A 39 7.562 -1.041 -6.469 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.959 -1.353 -8.904 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.427 -1.005 -8.013 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.730 -1.969 -5.708 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.349 -2.721 -4.876 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.184 -3.596 -6.181 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.809 -2.753 -9.681 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.027 -3.401 -8.038 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.537 -3.754 -8.943 1.00 0.00 H new ATOM 617 N PHE A 40 6.217 -4.320 -5.142 1.00 0.00 N ATOM 618 CA PHE A 40 5.644 -4.663 -3.848 1.00 0.00 C ATOM 619 C PHE A 40 6.647 -4.371 -2.737 1.00 0.00 C ATOM 620 O PHE A 40 7.854 -4.538 -2.918 1.00 0.00 O ATOM 621 CB PHE A 40 5.216 -6.139 -3.813 1.00 0.00 C ATOM 622 CG PHE A 40 6.355 -7.122 -3.907 1.00 0.00 C ATOM 623 CD1 PHE A 40 6.924 -7.436 -5.132 1.00 0.00 C ATOM 624 CD2 PHE A 40 6.849 -7.737 -2.767 1.00 0.00 C ATOM 625 CE1 PHE A 40 7.965 -8.341 -5.217 1.00 0.00 C ATOM 626 CE2 PHE A 40 7.889 -8.644 -2.846 1.00 0.00 C ATOM 627 CZ PHE A 40 8.447 -8.946 -4.073 1.00 0.00 C ATOM 0 H PHE A 40 6.800 -5.049 -5.553 1.00 0.00 H new ATOM 0 HA PHE A 40 4.756 -4.051 -3.690 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.669 -6.324 -2.889 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.525 -6.323 -4.635 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.549 -6.968 -6.030 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.416 -7.505 -1.805 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.401 -8.575 -6.177 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.265 -9.116 -1.950 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.259 -9.655 -4.138 1.00 0.00 H new ATOM 637 N ILE A 41 6.146 -3.922 -1.597 1.00 0.00 N ATOM 638 CA ILE A 41 6.997 -3.579 -0.468 1.00 0.00 C ATOM 639 C ILE A 41 6.623 -4.421 0.746 1.00 0.00 C ATOM 640 O ILE A 41 5.496 -4.360 1.240 1.00 0.00 O ATOM 641 CB ILE A 41 6.912 -2.071 -0.102 1.00 0.00 C ATOM 642 CG1 ILE A 41 7.624 -1.205 -1.150 1.00 0.00 C ATOM 643 CG2 ILE A 41 7.508 -1.811 1.275 1.00 0.00 C ATOM 644 CD1 ILE A 41 6.859 -1.032 -2.445 1.00 0.00 C ATOM 0 H ILE A 41 5.149 -3.786 -1.429 1.00 0.00 H new ATOM 0 HA ILE A 41 8.024 -3.790 -0.765 1.00 0.00 H new ATOM 0 HB ILE A 41 5.857 -1.798 -0.086 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.815 -0.221 -0.721 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.594 -1.650 -1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.436 -0.749 1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.960 -2.384 2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.555 -2.114 1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.435 -0.407 -3.127 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.691 -2.007 -2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.900 -0.557 -2.240 1.00 0.00 H new ATOM 656 N ASP A 42 7.567 -5.225 1.203 1.00 0.00 N ATOM 657 CA ASP A 42 7.378 -6.041 2.390 1.00 0.00 C ATOM 658 C ASP A 42 8.308 -5.564 3.502 1.00 0.00 C ATOM 659 O ASP A 42 9.503 -5.360 3.282 1.00 0.00 O ATOM 660 CB ASP A 42 7.650 -7.515 2.075 1.00 0.00 C ATOM 661 CG ASP A 42 9.114 -7.795 1.787 1.00 0.00 C ATOM 662 OD1 ASP A 42 9.703 -7.112 0.919 1.00 0.00 O ATOM 663 OD2 ASP A 42 9.688 -8.692 2.439 1.00 0.00 O ATOM 0 H ASP A 42 8.482 -5.331 0.764 1.00 0.00 H new ATOM 0 HA ASP A 42 6.344 -5.942 2.721 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.327 -8.127 2.917 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.052 -7.814 1.215 1.00 0.00 H new ATOM 668 N MET A 43 7.762 -5.359 4.684 1.00 0.00 N ATOM 669 CA MET A 43 8.567 -4.916 5.815 1.00 0.00 C ATOM 670 C MET A 43 9.141 -6.111 6.563 1.00 0.00 C ATOM 671 O MET A 43 8.512 -6.647 7.477 1.00 0.00 O ATOM 672 CB MET A 43 7.740 -4.048 6.764 1.00 0.00 C ATOM 673 CG MET A 43 7.220 -2.772 6.125 1.00 0.00 C ATOM 674 SD MET A 43 6.191 -1.816 7.252 1.00 0.00 S ATOM 675 CE MET A 43 5.777 -0.410 6.223 1.00 0.00 C ATOM 0 H MET A 43 6.772 -5.490 4.890 1.00 0.00 H new ATOM 0 HA MET A 43 9.391 -4.316 5.429 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.895 -4.630 7.132 1.00 0.00 H new ATOM 0 HB3 MET A 43 8.350 -3.788 7.630 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.062 -2.162 5.799 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.644 -3.023 5.234 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.956 0.144 6.677 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.646 0.241 6.130 1.00 0.00 H new ATOM 0 HE3 MET A 43 5.477 -0.758 5.235 1.00 0.00 H new ATOM 685 N GLY A 44 10.327 -6.538 6.156 1.00 0.00 N ATOM 686 CA GLY A 44 10.950 -7.680 6.784 1.00 0.00 C ATOM 687 C GLY A 44 12.075 -7.280 7.710 1.00 0.00 C ATOM 688 O GLY A 44 11.939 -7.351 8.932 1.00 0.00 O ATOM 0 H GLY A 44 10.867 -6.113 5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.200 -8.237 7.346 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.335 -8.350 6.015 1.00 0.00 H new ATOM 692 N SER A 45 13.176 -6.827 7.129 1.00 0.00 N ATOM 693 CA SER A 45 14.358 -6.467 7.893 1.00 0.00 C ATOM 694 C SER A 45 14.319 -5.000 8.315 1.00 0.00 C ATOM 695 O SER A 45 15.176 -4.536 9.068 1.00 0.00 O ATOM 696 CB SER A 45 15.607 -6.744 7.054 1.00 0.00 C ATOM 697 OG SER A 45 15.478 -6.187 5.756 1.00 0.00 O ATOM 0 H SER A 45 13.274 -6.700 6.122 1.00 0.00 H new ATOM 0 HA SER A 45 14.384 -7.071 8.800 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.483 -6.324 7.549 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.768 -7.819 6.978 1.00 0.00 H new ATOM 0 HG SER A 45 16.288 -6.374 5.238 1.00 0.00 H new ATOM 703 N THR A 46 13.314 -4.277 7.843 1.00 0.00 N ATOM 704 CA THR A 46 13.213 -2.857 8.123 1.00 0.00 C ATOM 705 C THR A 46 11.775 -2.471 8.462 1.00 0.00 C ATOM 706 O THR A 46 10.824 -3.113 8.012 1.00 0.00 O ATOM 707 CB THR A 46 13.712 -2.021 6.923 1.00 0.00 C ATOM 708 OG1 THR A 46 13.706 -0.626 7.249 1.00 0.00 O ATOM 709 CG2 THR A 46 12.850 -2.257 5.689 1.00 0.00 C ATOM 0 H THR A 46 12.560 -4.651 7.266 1.00 0.00 H new ATOM 0 HA THR A 46 13.846 -2.644 8.984 1.00 0.00 H new ATOM 0 HB THR A 46 14.731 -2.338 6.701 1.00 0.00 H new ATOM 0 HG1 THR A 46 13.268 -0.124 6.530 1.00 0.00 H new ATOM 0 HG21 THR A 46 13.226 -1.655 4.862 1.00 0.00 H new ATOM 0 HG22 THR A 46 12.886 -3.312 5.416 1.00 0.00 H new ATOM 0 HG23 THR A 46 11.820 -1.973 5.905 1.00 0.00 H new ATOM 717 N ASP A 47 11.630 -1.429 9.271 1.00 0.00 N ATOM 718 CA ASP A 47 10.319 -0.917 9.655 1.00 0.00 C ATOM 719 C ASP A 47 9.944 0.280 8.790 1.00 0.00 C ATOM 720 O ASP A 47 8.900 0.901 8.982 1.00 0.00 O ATOM 721 CB ASP A 47 10.310 -0.521 11.135 1.00 0.00 C ATOM 722 CG ASP A 47 11.363 0.517 11.469 1.00 0.00 C ATOM 723 OD1 ASP A 47 12.564 0.177 11.441 1.00 0.00 O ATOM 724 OD2 ASP A 47 10.995 1.675 11.759 1.00 0.00 O ATOM 0 H ASP A 47 12.413 -0.917 9.678 1.00 0.00 H new ATOM 0 HA ASP A 47 9.583 -1.706 9.501 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.326 -0.132 11.397 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.474 -1.409 11.746 1.00 0.00 H new ATOM 729 N GLU A 48 10.816 0.604 7.846 1.00 0.00 N ATOM 730 CA GLU A 48 10.543 1.641 6.862 1.00 0.00 C ATOM 731 C GLU A 48 11.240 1.296 5.549 1.00 0.00 C ATOM 732 O GLU A 48 12.466 1.159 5.495 1.00 0.00 O ATOM 733 CB GLU A 48 10.971 3.025 7.372 1.00 0.00 C ATOM 734 CG GLU A 48 12.396 3.086 7.898 1.00 0.00 C ATOM 735 CD GLU A 48 12.819 4.493 8.266 1.00 0.00 C ATOM 736 OE1 GLU A 48 12.600 4.902 9.427 1.00 0.00 O ATOM 737 OE2 GLU A 48 13.375 5.196 7.396 1.00 0.00 O ATOM 0 H GLU A 48 11.727 0.158 7.741 1.00 0.00 H new ATOM 0 HA GLU A 48 9.468 1.685 6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.864 3.747 6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.290 3.333 8.165 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.484 2.443 8.774 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.076 2.692 7.143 1.00 0.00 H new ATOM 744 N LYS A 49 10.451 1.133 4.498 1.00 0.00 N ATOM 745 CA LYS A 49 10.963 0.659 3.222 1.00 0.00 C ATOM 746 C LYS A 49 10.428 1.529 2.093 1.00 0.00 C ATOM 747 O LYS A 49 9.260 1.915 2.100 1.00 0.00 O ATOM 748 CB LYS A 49 10.549 -0.804 3.026 1.00 0.00 C ATOM 749 CG LYS A 49 11.382 -1.570 2.009 1.00 0.00 C ATOM 750 CD LYS A 49 11.055 -3.054 2.065 1.00 0.00 C ATOM 751 CE LYS A 49 11.972 -3.884 1.184 1.00 0.00 C ATOM 752 NZ LYS A 49 11.785 -5.341 1.424 1.00 0.00 N ATOM 0 H LYS A 49 9.449 1.323 4.504 1.00 0.00 H new ATOM 0 HA LYS A 49 12.051 0.723 3.213 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.611 -1.317 3.986 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.504 -0.833 2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.188 -1.186 1.007 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.443 -1.417 2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.133 -3.402 3.095 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.021 -3.207 1.755 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.774 -3.658 0.136 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.009 -3.612 1.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.515 -5.874 0.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.864 -5.538 2.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.844 -5.630 1.088 1.00 0.00 H new ATOM 766 N ILE A 50 11.282 1.852 1.135 1.00 0.00 N ATOM 767 CA ILE A 50 10.895 2.735 0.049 1.00 0.00 C ATOM 768 C ILE A 50 10.386 1.941 -1.152 1.00 0.00 C ATOM 769 O ILE A 50 10.706 0.764 -1.311 1.00 0.00 O ATOM 770 CB ILE A 50 12.074 3.650 -0.379 1.00 0.00 C ATOM 771 CG1 ILE A 50 11.571 4.790 -1.270 1.00 0.00 C ATOM 772 CG2 ILE A 50 13.151 2.846 -1.097 1.00 0.00 C ATOM 773 CD1 ILE A 50 12.645 5.777 -1.674 1.00 0.00 C ATOM 0 H ILE A 50 12.244 1.517 1.088 1.00 0.00 H new ATOM 0 HA ILE A 50 10.085 3.365 0.417 1.00 0.00 H new ATOM 0 HB ILE A 50 12.515 4.081 0.520 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.126 4.365 -2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.779 5.325 -0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.967 3.508 -1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.532 2.072 -0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.726 2.382 -1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 50 12.208 6.553 -2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 50 13.075 6.233 -0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 50 13.427 5.258 -2.228 1.00 0.00 H new ATOM 785 N CYS A 51 9.574 2.588 -1.975 1.00 0.00 N ATOM 786 CA CYS A 51 9.099 1.999 -3.216 1.00 0.00 C ATOM 787 C CYS A 51 10.022 2.415 -4.357 1.00 0.00 C ATOM 788 O CYS A 51 10.029 3.584 -4.756 1.00 0.00 O ATOM 789 CB CYS A 51 7.657 2.444 -3.496 1.00 0.00 C ATOM 790 SG CYS A 51 6.933 1.767 -5.016 1.00 0.00 S ATOM 0 H CYS A 51 9.228 3.532 -1.802 1.00 0.00 H new ATOM 0 HA CYS A 51 9.108 0.912 -3.130 1.00 0.00 H new ATOM 0 HB2 CYS A 51 7.032 2.154 -2.652 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.632 3.532 -3.552 1.00 0.00 H new ATOM 795 N PRO A 52 10.831 1.472 -4.865 1.00 0.00 N ATOM 796 CA PRO A 52 11.804 1.738 -5.930 1.00 0.00 C ATOM 797 C PRO A 52 11.167 2.394 -7.147 1.00 0.00 C ATOM 798 O PRO A 52 10.119 1.945 -7.626 1.00 0.00 O ATOM 799 CB PRO A 52 12.330 0.349 -6.294 1.00 0.00 C ATOM 800 CG PRO A 52 12.108 -0.475 -5.076 1.00 0.00 C ATOM 801 CD PRO A 52 10.862 0.065 -4.433 1.00 0.00 C ATOM 0 HA PRO A 52 12.580 2.430 -5.603 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.798 -0.063 -7.152 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.386 0.384 -6.560 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.990 -1.528 -5.333 1.00 0.00 H new ATOM 0 HG3 PRO A 52 12.959 -0.406 -4.398 1.00 0.00 H new ATOM 0 HD2 PRO A 52 9.974 -0.475 -4.763 1.00 0.00 H new ATOM 0 HD3 PRO A 52 10.902 -0.020 -3.347 1.00 0.00 H new ATOM 809 N TYR A 53 11.808 3.457 -7.634 1.00 0.00 N ATOM 810 CA TYR A 53 11.326 4.208 -8.790 1.00 0.00 C ATOM 811 C TYR A 53 9.898 4.680 -8.558 1.00 0.00 C ATOM 812 O TYR A 53 8.983 4.316 -9.303 1.00 0.00 O ATOM 813 CB TYR A 53 11.394 3.349 -10.059 1.00 0.00 C ATOM 814 CG TYR A 53 12.773 2.814 -10.364 1.00 0.00 C ATOM 815 CD1 TYR A 53 13.720 3.610 -10.997 1.00 0.00 C ATOM 816 CD2 TYR A 53 13.126 1.510 -10.026 1.00 0.00 C ATOM 817 CE1 TYR A 53 14.980 3.126 -11.284 1.00 0.00 C ATOM 818 CE2 TYR A 53 14.387 1.021 -10.310 1.00 0.00 C ATOM 819 CZ TYR A 53 15.308 1.834 -10.939 1.00 0.00 C ATOM 820 OH TYR A 53 16.563 1.352 -11.231 1.00 0.00 O ATOM 0 H TYR A 53 12.675 3.820 -7.238 1.00 0.00 H new ATOM 0 HA TYR A 53 11.968 5.078 -8.923 1.00 0.00 H new ATOM 0 HB2 TYR A 53 10.705 2.511 -9.956 1.00 0.00 H new ATOM 0 HB3 TYR A 53 11.050 3.942 -10.906 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.466 4.624 -11.269 1.00 0.00 H new ATOM 0 HD2 TYR A 53 12.405 0.873 -9.536 1.00 0.00 H new ATOM 0 HE1 TYR A 53 15.705 3.757 -11.777 1.00 0.00 H new ATOM 0 HE2 TYR A 53 14.650 0.009 -10.041 1.00 0.00 H new ATOM 0 HH TYR A 53 16.637 0.425 -10.922 1.00 0.00 H new ATOM 830 N CYS A 54 9.702 5.472 -7.514 1.00 0.00 N ATOM 831 CA CYS A 54 8.362 5.876 -7.122 1.00 0.00 C ATOM 832 C CYS A 54 8.410 6.969 -6.064 1.00 0.00 C ATOM 833 O CYS A 54 7.752 8.003 -6.205 1.00 0.00 O ATOM 834 CB CYS A 54 7.614 4.663 -6.566 1.00 0.00 C ATOM 835 SG CYS A 54 5.831 4.634 -6.885 1.00 0.00 S ATOM 0 H CYS A 54 10.449 5.845 -6.927 1.00 0.00 H new ATOM 0 HA CYS A 54 7.846 6.268 -7.998 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.056 3.760 -6.988 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.774 4.622 -5.489 1.00 0.00 H new ATOM 840 N SER A 55 9.197 6.724 -5.011 1.00 0.00 N ATOM 841 CA SER A 55 9.230 7.596 -3.841 1.00 0.00 C ATOM 842 C SER A 55 7.868 7.568 -3.148 1.00 0.00 C ATOM 843 O SER A 55 6.930 8.251 -3.557 1.00 0.00 O ATOM 844 CB SER A 55 9.631 9.024 -4.228 1.00 0.00 C ATOM 845 OG SER A 55 10.899 9.039 -4.865 1.00 0.00 O ATOM 0 H SER A 55 9.823 5.921 -4.949 1.00 0.00 H new ATOM 0 HA SER A 55 9.985 7.230 -3.145 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.880 9.449 -4.894 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.659 9.652 -3.338 1.00 0.00 H new ATOM 0 HG SER A 55 11.134 9.960 -5.105 1.00 0.00 H new ATOM 851 N THR A 56 7.767 6.743 -2.107 1.00 0.00 N ATOM 852 CA THR A 56 6.510 6.440 -1.448 1.00 0.00 C ATOM 853 C THR A 56 6.855 5.747 -0.133 1.00 0.00 C ATOM 854 O THR A 56 6.146 4.856 0.320 1.00 0.00 O ATOM 855 CB THR A 56 5.622 5.495 -2.308 1.00 0.00 C ATOM 856 OG1 THR A 56 5.798 5.758 -3.711 1.00 0.00 O ATOM 857 CG2 THR A 56 4.151 5.667 -1.960 1.00 0.00 C ATOM 0 H THR A 56 8.569 6.264 -1.697 1.00 0.00 H new ATOM 0 HA THR A 56 5.947 7.360 -1.291 1.00 0.00 H new ATOM 0 HB THR A 56 5.932 4.473 -2.088 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.667 4.930 -4.218 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.551 4.996 -2.574 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.996 5.431 -0.907 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.851 6.698 -2.149 1.00 0.00 H new ATOM 865 N LEU A 57 7.967 6.196 0.463 1.00 0.00 N ATOM 866 CA LEU A 57 8.627 5.497 1.569 1.00 0.00 C ATOM 867 C LEU A 57 7.638 5.124 2.662 1.00 0.00 C ATOM 868 O LEU A 57 7.089 5.990 3.337 1.00 0.00 O ATOM 869 CB LEU A 57 9.763 6.365 2.133 1.00 0.00 C ATOM 870 CG LEU A 57 10.881 5.614 2.873 1.00 0.00 C ATOM 871 CD1 LEU A 57 12.093 6.516 3.046 1.00 0.00 C ATOM 872 CD2 LEU A 57 10.410 5.117 4.232 1.00 0.00 C ATOM 0 H LEU A 57 8.435 7.060 0.189 1.00 0.00 H new ATOM 0 HA LEU A 57 9.048 4.569 1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.210 6.923 1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.330 7.096 2.816 1.00 0.00 H new ATOM 0 HG LEU A 57 11.156 4.748 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.879 5.973 3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.459 6.826 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.812 7.397 3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.225 4.590 4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.100 5.965 4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.567 4.439 4.099 1.00 0.00 H new ATOM 884 N TYR A 58 7.434 3.827 2.824 1.00 0.00 N ATOM 885 CA TYR A 58 6.439 3.309 3.744 1.00 0.00 C ATOM 886 C TYR A 58 7.021 3.170 5.141 1.00 0.00 C ATOM 887 O TYR A 58 7.890 2.333 5.389 1.00 0.00 O ATOM 888 CB TYR A 58 5.909 1.965 3.237 1.00 0.00 C ATOM 889 CG TYR A 58 5.389 2.036 1.820 1.00 0.00 C ATOM 890 CD1 TYR A 58 4.112 2.507 1.547 1.00 0.00 C ATOM 891 CD2 TYR A 58 6.190 1.656 0.752 1.00 0.00 C ATOM 892 CE1 TYR A 58 3.647 2.591 0.250 1.00 0.00 C ATOM 893 CE2 TYR A 58 5.733 1.742 -0.547 1.00 0.00 C ATOM 894 CZ TYR A 58 4.463 2.211 -0.795 1.00 0.00 C ATOM 895 OH TYR A 58 4.006 2.304 -2.092 1.00 0.00 O ATOM 0 H TYR A 58 7.953 3.106 2.322 1.00 0.00 H new ATOM 0 HA TYR A 58 5.608 4.013 3.797 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.705 1.223 3.290 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.110 1.623 3.895 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.472 2.812 2.362 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.187 1.287 0.941 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.648 2.953 0.054 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.370 1.442 -1.366 1.00 0.00 H new ATOM 0 HH TYR A 58 3.027 2.260 -2.098 1.00 0.00 H new ATOM 905 N ARG A 59 6.547 4.014 6.037 1.00 0.00 N ATOM 906 CA ARG A 59 7.007 4.023 7.413 1.00 0.00 C ATOM 907 C ARG A 59 6.013 3.286 8.302 1.00 0.00 C ATOM 908 O ARG A 59 4.819 3.595 8.287 1.00 0.00 O ATOM 909 CB ARG A 59 7.158 5.466 7.894 1.00 0.00 C ATOM 910 CG ARG A 59 7.796 5.593 9.263 1.00 0.00 C ATOM 911 CD ARG A 59 7.693 7.009 9.804 1.00 0.00 C ATOM 912 NE ARG A 59 8.132 8.014 8.834 1.00 0.00 N ATOM 913 CZ ARG A 59 9.364 8.526 8.795 1.00 0.00 C ATOM 914 NH1 ARG A 59 10.318 8.042 9.581 1.00 0.00 N ATOM 915 NH2 ARG A 59 9.645 9.510 7.953 1.00 0.00 N ATOM 0 H ARG A 59 5.833 4.713 5.832 1.00 0.00 H new ATOM 0 HA ARG A 59 7.972 3.520 7.469 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.758 6.019 7.171 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.175 5.936 7.917 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.312 4.903 9.955 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.845 5.302 9.204 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.661 7.211 10.089 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.296 7.094 10.708 1.00 0.00 H new ATOM 0 HE ARG A 59 7.455 8.343 8.146 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.112 7.274 10.220 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.257 8.438 9.546 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.920 9.875 7.335 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.586 9.902 7.922 1.00 0.00 H new ATOM 929 N TYR A 60 6.494 2.313 9.063 1.00 0.00 N ATOM 930 CA TYR A 60 5.632 1.573 9.970 1.00 0.00 C ATOM 931 C TYR A 60 5.730 2.115 11.388 1.00 0.00 C ATOM 932 O TYR A 60 6.824 2.362 11.904 1.00 0.00 O ATOM 933 CB TYR A 60 5.972 0.083 9.973 1.00 0.00 C ATOM 934 CG TYR A 60 5.093 -0.721 10.904 1.00 0.00 C ATOM 935 CD1 TYR A 60 3.734 -0.848 10.657 1.00 0.00 C ATOM 936 CD2 TYR A 60 5.616 -1.341 12.033 1.00 0.00 C ATOM 937 CE1 TYR A 60 2.918 -1.566 11.505 1.00 0.00 C ATOM 938 CE2 TYR A 60 4.804 -2.065 12.888 1.00 0.00 C ATOM 939 CZ TYR A 60 3.454 -2.174 12.617 1.00 0.00 C ATOM 940 OH TYR A 60 2.638 -2.895 13.460 1.00 0.00 O ATOM 0 H TYR A 60 7.471 2.020 9.070 1.00 0.00 H new ATOM 0 HA TYR A 60 4.611 1.700 9.610 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.874 -0.309 8.961 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.014 -0.046 10.265 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.307 -0.376 9.784 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.671 -1.256 12.246 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.862 -1.651 11.297 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.223 -2.542 13.762 1.00 0.00 H new ATOM 0 HH TYR A 60 3.171 -3.261 14.197 1.00 0.00 H new ATOM 950 N ASP A 61 4.576 2.291 12.005 1.00 0.00 N ATOM 951 CA ASP A 61 4.490 2.708 13.394 1.00 0.00 C ATOM 952 C ASP A 61 3.357 1.954 14.078 1.00 0.00 C ATOM 953 O ASP A 61 2.216 2.007 13.622 1.00 0.00 O ATOM 954 CB ASP A 61 4.264 4.223 13.478 1.00 0.00 C ATOM 955 CG ASP A 61 3.929 4.709 14.877 1.00 0.00 C ATOM 956 OD1 ASP A 61 4.455 4.150 15.860 1.00 0.00 O ATOM 957 OD2 ASP A 61 3.143 5.673 14.997 1.00 0.00 O ATOM 0 H ASP A 61 3.671 2.149 11.557 1.00 0.00 H new ATOM 0 HA ASP A 61 5.426 2.477 13.903 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.160 4.736 13.129 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.455 4.500 12.802 1.00 0.00 H new ATOM 962 N PRO A 62 3.657 1.223 15.164 1.00 0.00 N ATOM 963 CA PRO A 62 2.655 0.441 15.907 1.00 0.00 C ATOM 964 C PRO A 62 1.524 1.305 16.470 1.00 0.00 C ATOM 965 O PRO A 62 0.478 0.791 16.871 1.00 0.00 O ATOM 966 CB PRO A 62 3.457 -0.195 17.050 1.00 0.00 C ATOM 967 CG PRO A 62 4.712 0.602 17.142 1.00 0.00 C ATOM 968 CD PRO A 62 4.999 1.086 15.752 1.00 0.00 C ATOM 0 HA PRO A 62 2.161 -0.284 15.260 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.901 -0.162 17.987 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.671 -1.244 16.844 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.593 1.439 17.830 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.533 -0.006 17.520 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.535 2.035 15.758 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.612 0.377 15.196 1.00 0.00 H new ATOM 976 N SER A 63 1.739 2.615 16.503 1.00 0.00 N ATOM 977 CA SER A 63 0.724 3.542 16.981 1.00 0.00 C ATOM 978 C SER A 63 -0.283 3.874 15.874 1.00 0.00 C ATOM 979 O SER A 63 -1.290 4.540 16.116 1.00 0.00 O ATOM 980 CB SER A 63 1.386 4.818 17.498 1.00 0.00 C ATOM 981 OG SER A 63 2.332 4.524 18.514 1.00 0.00 O ATOM 0 H SER A 63 2.608 3.058 16.204 1.00 0.00 H new ATOM 0 HA SER A 63 0.181 3.066 17.798 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.880 5.335 16.675 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.625 5.494 17.889 1.00 0.00 H new ATOM 0 HG SER A 63 2.744 5.356 18.828 1.00 0.00 H new ATOM 987 N LEU A 64 -0.001 3.415 14.658 1.00 0.00 N ATOM 988 CA LEU A 64 -0.922 3.582 13.541 1.00 0.00 C ATOM 989 C LEU A 64 -1.848 2.379 13.452 1.00 0.00 C ATOM 990 O LEU A 64 -1.390 1.234 13.462 1.00 0.00 O ATOM 991 CB LEU A 64 -0.156 3.747 12.225 1.00 0.00 C ATOM 992 CG LEU A 64 0.597 5.070 12.068 1.00 0.00 C ATOM 993 CD1 LEU A 64 1.479 5.040 10.829 1.00 0.00 C ATOM 994 CD2 LEU A 64 -0.386 6.227 11.989 1.00 0.00 C ATOM 0 H LEU A 64 0.861 2.923 14.422 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.512 4.482 13.712 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.558 2.929 12.134 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.860 3.649 11.399 1.00 0.00 H new ATOM 0 HG LEU A 64 1.235 5.211 12.940 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.006 5.989 10.735 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.203 4.230 10.917 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.861 4.879 9.946 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.162 7.163 11.877 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.044 6.087 11.131 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.981 6.262 12.901 1.00 0.00 H new ATOM 1006 N SER A 65 -3.142 2.633 13.382 1.00 0.00 N ATOM 1007 CA SER A 65 -4.121 1.562 13.328 1.00 0.00 C ATOM 1008 C SER A 65 -4.237 1.008 11.909 1.00 0.00 C ATOM 1009 O SER A 65 -3.853 1.665 10.943 1.00 0.00 O ATOM 1010 CB SER A 65 -5.481 2.069 13.819 1.00 0.00 C ATOM 1011 OG SER A 65 -6.422 1.011 13.918 1.00 0.00 O ATOM 0 H SER A 65 -3.540 3.572 13.361 1.00 0.00 H new ATOM 0 HA SER A 65 -3.790 0.755 13.981 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.364 2.546 14.792 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.857 2.829 13.134 1.00 0.00 H new ATOM 0 HG SER A 65 -7.279 1.364 14.235 1.00 0.00 H new ATOM 1017 N TYR A 66 -4.779 -0.201 11.791 1.00 0.00 N ATOM 1018 CA TYR A 66 -4.977 -0.838 10.491 1.00 0.00 C ATOM 1019 C TYR A 66 -6.014 -0.076 9.671 1.00 0.00 C ATOM 1020 O TYR A 66 -6.088 -0.217 8.453 1.00 0.00 O ATOM 1021 CB TYR A 66 -5.425 -2.290 10.675 1.00 0.00 C ATOM 1022 CG TYR A 66 -4.438 -3.140 11.445 1.00 0.00 C ATOM 1023 CD1 TYR A 66 -3.417 -3.819 10.790 1.00 0.00 C ATOM 1024 CD2 TYR A 66 -4.527 -3.262 12.825 1.00 0.00 C ATOM 1025 CE1 TYR A 66 -2.513 -4.594 11.492 1.00 0.00 C ATOM 1026 CE2 TYR A 66 -3.628 -4.034 13.534 1.00 0.00 C ATOM 1027 CZ TYR A 66 -2.624 -4.698 12.864 1.00 0.00 C ATOM 1028 OH TYR A 66 -1.726 -5.469 13.571 1.00 0.00 O ATOM 0 H TYR A 66 -5.091 -0.762 12.584 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.028 -0.823 9.955 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.383 -2.302 11.194 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.588 -2.737 9.694 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.329 -3.740 9.717 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -5.313 -2.744 13.354 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.724 -5.115 10.970 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.712 -4.117 14.608 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.945 -5.433 14.526 1.00 0.00 H new ATOM 1038 N ASN A 67 -6.805 0.740 10.356 1.00 0.00 N ATOM 1039 CA ASN A 67 -7.835 1.547 9.712 1.00 0.00 C ATOM 1040 C ASN A 67 -7.281 2.907 9.313 1.00 0.00 C ATOM 1041 O ASN A 67 -8.021 3.783 8.857 1.00 0.00 O ATOM 1042 CB ASN A 67 -9.021 1.753 10.657 1.00 0.00 C ATOM 1043 CG ASN A 67 -9.841 0.498 10.874 1.00 0.00 C ATOM 1044 OD1 ASN A 67 -9.997 -0.326 9.972 1.00 0.00 O ATOM 1045 ND2 ASN A 67 -10.367 0.343 12.077 1.00 0.00 N ATOM 0 H ASN A 67 -6.752 0.861 11.367 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.166 1.015 8.820 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.652 2.108 11.619 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.666 2.534 10.255 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -10.927 -0.484 12.286 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.213 1.050 12.796 1.00 0.00 H new ATOM 1052 N GLN A 68 -5.980 3.085 9.492 1.00 0.00 N ATOM 1053 CA GLN A 68 -5.349 4.376 9.265 1.00 0.00 C ATOM 1054 C GLN A 68 -4.124 4.248 8.371 1.00 0.00 C ATOM 1055 O GLN A 68 -3.384 3.264 8.439 1.00 0.00 O ATOM 1056 CB GLN A 68 -4.937 4.999 10.600 1.00 0.00 C ATOM 1057 CG GLN A 68 -6.103 5.322 11.521 1.00 0.00 C ATOM 1058 CD GLN A 68 -5.647 5.691 12.918 1.00 0.00 C ATOM 1059 OE1 GLN A 68 -4.619 5.206 13.394 1.00 0.00 O ATOM 1060 NE2 GLN A 68 -6.402 6.550 13.582 1.00 0.00 N ATOM 0 H GLN A 68 -5.340 2.350 9.794 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.076 5.016 8.764 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -4.261 4.316 11.114 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -4.378 5.914 10.404 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.679 6.146 11.100 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.770 4.462 11.574 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.245 6.928 13.150 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.141 6.835 14.526 1.00 0.00 H new ATOM 1069 N THR A 69 -3.935 5.238 7.519 1.00 0.00 N ATOM 1070 CA THR A 69 -2.703 5.380 6.770 1.00 0.00 C ATOM 1071 C THR A 69 -2.040 6.697 7.190 1.00 0.00 C ATOM 1072 O THR A 69 -2.030 7.027 8.376 1.00 0.00 O ATOM 1073 CB THR A 69 -2.954 5.300 5.232 1.00 0.00 C ATOM 1074 OG1 THR A 69 -1.718 5.404 4.512 1.00 0.00 O ATOM 1075 CG2 THR A 69 -3.924 6.372 4.736 1.00 0.00 C ATOM 0 H THR A 69 -4.628 5.962 7.328 1.00 0.00 H new ATOM 0 HA THR A 69 -2.029 4.554 6.997 1.00 0.00 H new ATOM 0 HB THR A 69 -3.411 4.328 5.045 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.819 6.046 3.779 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.061 6.269 3.660 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.885 6.254 5.237 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.519 7.360 4.957 1.00 0.00 H new ATOM 1083 N ASN A 70 -1.498 7.444 6.250 1.00 0.00 N ATOM 1084 CA ASN A 70 -0.888 8.725 6.557 1.00 0.00 C ATOM 1085 C ASN A 70 -1.876 9.836 6.198 1.00 0.00 C ATOM 1086 O ASN A 70 -3.026 9.523 5.884 1.00 0.00 O ATOM 1087 CB ASN A 70 0.430 8.866 5.787 1.00 0.00 C ATOM 1088 CG ASN A 70 0.243 9.051 4.292 1.00 0.00 C ATOM 1089 OD1 ASN A 70 -0.689 8.522 3.690 1.00 0.00 O ATOM 1090 ND2 ASN A 70 1.134 9.813 3.682 1.00 0.00 N ATOM 0 H ASN A 70 -1.467 7.186 5.264 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.657 8.797 7.620 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.984 9.717 6.184 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.040 7.980 5.962 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.061 9.979 2.678 1.00 0.00 H new ATOM 0 HD22 ASN A 70 1.894 10.235 4.215 1.00 0.00 H new ATOM 1097 N PRO A 71 -1.486 11.138 6.285 1.00 0.00 N ATOM 1098 CA PRO A 71 -2.345 12.243 5.848 1.00 0.00 C ATOM 1099 C PRO A 71 -3.097 11.895 4.565 1.00 0.00 C ATOM 1100 O PRO A 71 -2.497 11.792 3.493 1.00 0.00 O ATOM 1101 CB PRO A 71 -1.349 13.373 5.613 1.00 0.00 C ATOM 1102 CG PRO A 71 -0.266 13.130 6.611 1.00 0.00 C ATOM 1103 CD PRO A 71 -0.207 11.637 6.831 1.00 0.00 C ATOM 0 HA PRO A 71 -3.121 12.493 6.571 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.961 13.355 4.594 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.813 14.348 5.760 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.689 13.505 6.245 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.476 13.651 7.545 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.645 11.192 6.317 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -0.104 11.394 7.889 1.00 0.00 H new ATOM 1111 N THR A 72 -4.411 11.718 4.708 1.00 0.00 N ATOM 1112 CA THR A 72 -5.253 11.093 3.690 1.00 0.00 C ATOM 1113 C THR A 72 -5.062 11.695 2.300 1.00 0.00 C ATOM 1114 O THR A 72 -5.612 12.749 1.972 1.00 0.00 O ATOM 1115 CB THR A 72 -6.740 11.170 4.086 1.00 0.00 C ATOM 1116 OG1 THR A 72 -6.919 10.620 5.401 1.00 0.00 O ATOM 1117 CG2 THR A 72 -7.616 10.412 3.094 1.00 0.00 C ATOM 0 H THR A 72 -4.924 12.007 5.541 1.00 0.00 H new ATOM 0 HA THR A 72 -4.938 10.051 3.638 1.00 0.00 H new ATOM 0 HB THR A 72 -7.040 12.218 4.077 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.865 10.672 5.651 1.00 0.00 H new ATOM 0 HG21 THR A 72 -8.659 10.485 3.400 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.499 10.845 2.100 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.317 9.364 3.071 1.00 0.00 H new ATOM 1125 N GLY A 73 -4.247 11.016 1.507 1.00 0.00 N ATOM 1126 CA GLY A 73 -4.069 11.363 0.113 1.00 0.00 C ATOM 1127 C GLY A 73 -3.711 10.136 -0.698 1.00 0.00 C ATOM 1128 O GLY A 73 -3.265 10.236 -1.842 1.00 0.00 O ATOM 0 H GLY A 73 -3.695 10.214 1.813 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -4.984 11.809 -0.276 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.283 12.112 0.016 1.00 0.00 H new ATOM 1132 N CYS A 74 -3.918 8.974 -0.087 1.00 0.00 N ATOM 1133 CA CYS A 74 -3.574 7.695 -0.684 1.00 0.00 C ATOM 1134 C CYS A 74 -4.492 6.604 -0.136 1.00 0.00 C ATOM 1135 O CYS A 74 -4.120 5.856 0.759 1.00 0.00 O ATOM 1136 CB CYS A 74 -2.107 7.344 -0.407 1.00 0.00 C ATOM 1137 SG CYS A 74 -0.926 8.528 -1.095 1.00 0.00 S ATOM 0 H CYS A 74 -4.332 8.896 0.842 1.00 0.00 H new ATOM 0 HA CYS A 74 -3.709 7.766 -1.763 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.956 7.280 0.671 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.897 6.356 -0.817 1.00 0.00 H new ATOM 0 HG CYS A 74 -1.568 9.459 -1.735 1.00 0.00 H new ATOM 1143 N LEU A 75 -5.710 6.563 -0.646 1.00 0.00 N ATOM 1144 CA LEU A 75 -6.690 5.558 -0.252 1.00 0.00 C ATOM 1145 C LEU A 75 -7.428 5.060 -1.495 1.00 0.00 C ATOM 1146 O LEU A 75 -8.128 5.827 -2.155 1.00 0.00 O ATOM 1147 CB LEU A 75 -7.672 6.167 0.770 1.00 0.00 C ATOM 1148 CG LEU A 75 -8.635 5.194 1.478 1.00 0.00 C ATOM 1149 CD1 LEU A 75 -9.794 4.792 0.573 1.00 0.00 C ATOM 1150 CD2 LEU A 75 -7.891 3.958 1.964 1.00 0.00 C ATOM 0 H LEU A 75 -6.051 7.223 -1.345 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.191 4.711 0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.090 6.683 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.269 6.922 0.259 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.050 5.716 2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.451 4.106 1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.355 5.681 0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.405 4.302 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.590 3.285 2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.438 3.448 1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.112 4.255 2.666 1.00 0.00 H new ATOM 1162 N TYR A 76 -7.261 3.785 -1.817 1.00 0.00 N ATOM 1163 CA TYR A 76 -7.883 3.224 -3.008 1.00 0.00 C ATOM 1164 C TYR A 76 -8.994 2.247 -2.642 1.00 0.00 C ATOM 1165 O TYR A 76 -8.744 1.082 -2.339 1.00 0.00 O ATOM 1166 CB TYR A 76 -6.840 2.530 -3.890 1.00 0.00 C ATOM 1167 CG TYR A 76 -7.404 1.983 -5.187 1.00 0.00 C ATOM 1168 CD1 TYR A 76 -7.772 2.834 -6.224 1.00 0.00 C ATOM 1169 CD2 TYR A 76 -7.575 0.615 -5.371 1.00 0.00 C ATOM 1170 CE1 TYR A 76 -8.294 2.337 -7.404 1.00 0.00 C ATOM 1171 CE2 TYR A 76 -8.097 0.112 -6.549 1.00 0.00 C ATOM 1172 CZ TYR A 76 -8.454 0.976 -7.562 1.00 0.00 C ATOM 1173 OH TYR A 76 -8.978 0.475 -8.734 1.00 0.00 O ATOM 0 H TYR A 76 -6.705 3.124 -1.275 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.324 4.048 -3.569 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.044 3.238 -4.120 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.388 1.713 -3.328 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.648 3.900 -6.106 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.295 -0.066 -4.581 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.575 3.012 -8.199 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.224 -0.953 -6.675 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.022 -0.503 -8.681 1.00 0.00 H new ATOM 1183 N ASN A 77 -10.222 2.744 -2.647 1.00 0.00 N ATOM 1184 CA ASN A 77 -11.395 1.899 -2.472 1.00 0.00 C ATOM 1185 C ASN A 77 -12.473 2.320 -3.462 1.00 0.00 C ATOM 1186 O ASN A 77 -13.045 3.407 -3.343 1.00 0.00 O ATOM 1187 CB ASN A 77 -11.929 1.972 -1.036 1.00 0.00 C ATOM 1188 CG ASN A 77 -13.076 1.002 -0.797 1.00 0.00 C ATOM 1189 OD1 ASN A 77 -13.163 -0.048 -1.437 1.00 0.00 O ATOM 1190 ND2 ASN A 77 -13.961 1.336 0.130 1.00 0.00 N ATOM 0 H ASN A 77 -10.433 3.734 -2.771 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.108 0.865 -2.662 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -11.120 1.754 -0.338 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.265 2.988 -0.827 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -14.745 0.716 0.333 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -13.858 2.213 0.641 1.00 0.00 H new ATOM 1197 N PRO A 78 -12.738 1.479 -4.472 1.00 0.00 N ATOM 1198 CA PRO A 78 -13.701 1.786 -5.534 1.00 0.00 C ATOM 1199 C PRO A 78 -15.137 1.897 -5.026 1.00 0.00 C ATOM 1200 O PRO A 78 -15.763 0.901 -4.660 1.00 0.00 O ATOM 1201 CB PRO A 78 -13.561 0.609 -6.504 1.00 0.00 C ATOM 1202 CG PRO A 78 -12.997 -0.498 -5.684 1.00 0.00 C ATOM 1203 CD PRO A 78 -12.112 0.159 -4.666 1.00 0.00 C ATOM 0 HA PRO A 78 -13.495 2.755 -5.988 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -14.525 0.333 -6.931 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.903 0.859 -7.336 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.789 -1.071 -5.202 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -12.431 -1.194 -6.303 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.077 -0.410 -3.737 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -11.086 0.249 -5.023 1.00 0.00 H new ATOM 1211 N LYS A 79 -15.638 3.122 -4.990 1.00 0.00 N ATOM 1212 CA LYS A 79 -17.019 3.383 -4.613 1.00 0.00 C ATOM 1213 C LYS A 79 -17.907 3.351 -5.853 1.00 0.00 C ATOM 1214 O LYS A 79 -17.491 2.856 -6.908 1.00 0.00 O ATOM 1215 CB LYS A 79 -17.121 4.745 -3.917 1.00 0.00 C ATOM 1216 CG LYS A 79 -16.624 5.912 -4.762 1.00 0.00 C ATOM 1217 CD LYS A 79 -16.710 7.226 -4.002 1.00 0.00 C ATOM 1218 CE LYS A 79 -16.218 8.404 -4.835 1.00 0.00 C ATOM 1219 NZ LYS A 79 -14.793 8.257 -5.237 1.00 0.00 N ATOM 0 H LYS A 79 -15.103 3.959 -5.220 1.00 0.00 H new ATOM 0 HA LYS A 79 -17.356 2.612 -3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -18.161 4.925 -3.644 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -16.549 4.711 -2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.592 5.731 -5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -17.215 5.979 -5.675 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -17.742 7.402 -3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -16.118 7.156 -3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -16.837 8.498 -5.727 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -16.339 9.325 -4.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.268 9.116 -4.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.378 7.436 -4.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.735 8.116 -6.266 1.00 0.00 H new ATOM 1233 N LEU A 80 -19.124 3.867 -5.736 1.00 0.00 N ATOM 1234 CA LEU A 80 -20.007 3.984 -6.888 1.00 0.00 C ATOM 1235 C LEU A 80 -19.589 5.170 -7.751 1.00 0.00 C ATOM 1236 O LEU A 80 -20.287 6.178 -7.844 1.00 0.00 O ATOM 1237 CB LEU A 80 -21.472 4.118 -6.461 1.00 0.00 C ATOM 1238 CG LEU A 80 -22.042 2.918 -5.704 1.00 0.00 C ATOM 1239 CD1 LEU A 80 -23.510 3.143 -5.381 1.00 0.00 C ATOM 1240 CD2 LEU A 80 -21.863 1.643 -6.514 1.00 0.00 C ATOM 0 H LEU A 80 -19.520 4.209 -4.860 1.00 0.00 H new ATOM 0 HA LEU A 80 -19.919 3.070 -7.475 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -21.571 5.004 -5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -22.079 4.288 -7.350 1.00 0.00 H new ATOM 0 HG LEU A 80 -21.496 2.809 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -23.900 2.280 -4.842 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -23.614 4.034 -4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -24.070 3.277 -6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -22.274 0.799 -5.960 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -22.384 1.741 -7.466 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -20.802 1.474 -6.697 1.00 0.00 H new ATOM 1252 N GLU A 81 -18.423 5.036 -8.363 1.00 0.00 N ATOM 1253 CA GLU A 81 -17.864 6.071 -9.221 1.00 0.00 C ATOM 1254 C GLU A 81 -18.087 5.689 -10.683 1.00 0.00 C ATOM 1255 O GLU A 81 -17.404 6.164 -11.587 1.00 0.00 O ATOM 1256 CB GLU A 81 -16.370 6.218 -8.917 1.00 0.00 C ATOM 1257 CG GLU A 81 -15.747 7.503 -9.436 1.00 0.00 C ATOM 1258 CD GLU A 81 -14.291 7.633 -9.042 1.00 0.00 C ATOM 1259 OE1 GLU A 81 -14.018 7.877 -7.847 1.00 0.00 O ATOM 1260 OE2 GLU A 81 -13.412 7.483 -9.920 1.00 0.00 O ATOM 0 H GLU A 81 -17.836 4.206 -8.279 1.00 0.00 H new ATOM 0 HA GLU A 81 -18.356 7.026 -9.034 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.225 6.168 -7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.839 5.370 -9.350 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -15.832 7.533 -10.522 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -16.304 8.357 -9.049 1.00 0.00 H new ATOM 1267 N HIS A 82 -19.066 4.823 -10.898 1.00 0.00 N ATOM 1268 CA HIS A 82 -19.379 4.324 -12.229 1.00 0.00 C ATOM 1269 C HIS A 82 -20.511 5.126 -12.852 1.00 0.00 C ATOM 1270 O HIS A 82 -21.658 5.042 -12.412 1.00 0.00 O ATOM 1271 CB HIS A 82 -19.765 2.842 -12.167 1.00 0.00 C ATOM 1272 CG HIS A 82 -18.607 1.917 -11.932 1.00 0.00 C ATOM 1273 ND1 HIS A 82 -18.555 0.639 -12.441 1.00 0.00 N ATOM 1274 CD2 HIS A 82 -17.461 2.085 -11.228 1.00 0.00 C ATOM 1275 CE1 HIS A 82 -17.431 0.059 -12.061 1.00 0.00 C ATOM 1276 NE2 HIS A 82 -16.746 0.915 -11.325 1.00 0.00 N ATOM 0 H HIS A 82 -19.662 4.448 -10.160 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.490 4.434 -12.850 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -20.496 2.701 -11.371 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -20.253 2.565 -13.101 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.165 2.974 -10.690 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -17.124 -0.946 -12.310 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -15.836 0.737 -10.899 1.00 0.00 H new ATOM 1285 N HIS A 83 -20.189 5.887 -13.889 1.00 0.00 N ATOM 1286 CA HIS A 83 -21.168 6.749 -14.550 1.00 0.00 C ATOM 1287 C HIS A 83 -22.015 5.936 -15.535 1.00 0.00 C ATOM 1288 O HIS A 83 -22.779 6.486 -16.328 1.00 0.00 O ATOM 1289 CB HIS A 83 -20.452 7.896 -15.276 1.00 0.00 C ATOM 1290 CG HIS A 83 -21.282 9.139 -15.440 1.00 0.00 C ATOM 1291 ND1 HIS A 83 -20.737 10.372 -15.731 1.00 0.00 N ATOM 1292 CD2 HIS A 83 -22.618 9.339 -15.353 1.00 0.00 C ATOM 1293 CE1 HIS A 83 -21.700 11.269 -15.814 1.00 0.00 C ATOM 1294 NE2 HIS A 83 -22.851 10.669 -15.589 1.00 0.00 N ATOM 0 H HIS A 83 -19.254 5.927 -14.295 1.00 0.00 H new ATOM 0 HA HIS A 83 -21.831 7.172 -13.796 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -19.545 8.149 -14.726 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -20.141 7.549 -16.261 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -23.364 8.588 -15.137 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -21.567 12.319 -16.030 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -23.766 11.120 -15.590 1.00 0.00 H new ATOM 1303 N HIS A 84 -21.869 4.620 -15.482 1.00 0.00 N ATOM 1304 CA HIS A 84 -22.664 3.730 -16.321 1.00 0.00 C ATOM 1305 C HIS A 84 -23.921 3.270 -15.591 1.00 0.00 C ATOM 1306 O HIS A 84 -24.771 2.599 -16.172 1.00 0.00 O ATOM 1307 CB HIS A 84 -21.839 2.524 -16.775 1.00 0.00 C ATOM 1308 CG HIS A 84 -20.916 2.828 -17.916 1.00 0.00 C ATOM 1309 ND1 HIS A 84 -21.036 2.243 -19.156 1.00 0.00 N ATOM 1310 CD2 HIS A 84 -19.860 3.668 -18.001 1.00 0.00 C ATOM 1311 CE1 HIS A 84 -20.093 2.709 -19.953 1.00 0.00 C ATOM 1312 NE2 HIS A 84 -19.363 3.578 -19.277 1.00 0.00 N ATOM 0 H HIS A 84 -21.208 4.144 -14.868 1.00 0.00 H new ATOM 0 HA HIS A 84 -22.967 4.290 -17.205 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -21.254 2.156 -15.932 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -22.515 1.721 -17.069 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -19.477 4.295 -17.209 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -19.943 2.427 -20.985 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -18.564 4.096 -19.642 1.00 0.00 H new ATOM 1321 N HIS A 85 -24.038 3.639 -14.321 1.00 0.00 N ATOM 1322 CA HIS A 85 -25.226 3.305 -13.542 1.00 0.00 C ATOM 1323 C HIS A 85 -26.350 4.286 -13.864 1.00 0.00 C ATOM 1324 O HIS A 85 -27.513 3.903 -13.997 1.00 0.00 O ATOM 1325 CB HIS A 85 -24.911 3.325 -12.043 1.00 0.00 C ATOM 1326 CG HIS A 85 -26.059 2.899 -11.177 1.00 0.00 C ATOM 1327 ND1 HIS A 85 -26.734 3.764 -10.345 1.00 0.00 N ATOM 1328 CD2 HIS A 85 -26.650 1.691 -11.018 1.00 0.00 C ATOM 1329 CE1 HIS A 85 -27.689 3.108 -9.711 1.00 0.00 C ATOM 1330 NE2 HIS A 85 -27.658 1.850 -10.103 1.00 0.00 N ATOM 0 H HIS A 85 -23.330 4.166 -13.810 1.00 0.00 H new ATOM 0 HA HIS A 85 -25.548 2.298 -13.808 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -24.061 2.670 -11.851 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -24.608 4.333 -11.758 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -26.378 0.774 -11.519 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -28.378 3.530 -8.994 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -28.284 1.113 -9.778 1.00 0.00 H new ATOM 1339 N HIS A 86 -25.984 5.551 -13.996 1.00 0.00 N ATOM 1340 CA HIS A 86 -26.926 6.604 -14.346 1.00 0.00 C ATOM 1341 C HIS A 86 -26.295 7.494 -15.405 1.00 0.00 C ATOM 1342 O HIS A 86 -25.188 7.985 -15.213 1.00 0.00 O ATOM 1343 CB HIS A 86 -27.277 7.432 -13.105 1.00 0.00 C ATOM 1344 CG HIS A 86 -28.278 8.522 -13.350 1.00 0.00 C ATOM 1345 ND1 HIS A 86 -27.944 9.751 -13.880 1.00 0.00 N ATOM 1346 CD2 HIS A 86 -29.611 8.563 -13.126 1.00 0.00 C ATOM 1347 CE1 HIS A 86 -29.029 10.498 -13.969 1.00 0.00 C ATOM 1348 NE2 HIS A 86 -30.055 9.802 -13.518 1.00 0.00 N ATOM 0 H HIS A 86 -25.027 5.877 -13.864 1.00 0.00 H new ATOM 0 HA HIS A 86 -27.843 6.161 -14.735 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -27.666 6.765 -12.336 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -26.364 7.876 -12.709 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -30.215 7.768 -12.715 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -29.070 11.509 -14.347 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -31.019 10.130 -13.469 1.00 0.00 H new ATOM 1357 N HIS A 87 -26.984 7.704 -16.514 1.00 0.00 N ATOM 1358 CA HIS A 87 -26.418 8.488 -17.605 1.00 0.00 C ATOM 1359 C HIS A 87 -26.928 9.921 -17.537 1.00 0.00 C ATOM 1360 O HIS A 87 -26.102 10.854 -17.629 1.00 0.00 O ATOM 1361 CB HIS A 87 -26.720 7.856 -18.977 1.00 0.00 C ATOM 1362 CG HIS A 87 -28.122 8.041 -19.484 1.00 0.00 C ATOM 1363 ND1 HIS A 87 -28.409 8.748 -20.628 1.00 0.00 N ATOM 1364 CD2 HIS A 87 -29.307 7.578 -19.024 1.00 0.00 C ATOM 1365 CE1 HIS A 87 -29.707 8.714 -20.851 1.00 0.00 C ATOM 1366 NE2 HIS A 87 -30.277 8.009 -19.895 1.00 0.00 N ATOM 1367 OXT HIS A 87 -28.143 10.103 -17.350 1.00 0.00 O ATOM 0 H HIS A 87 -27.925 7.349 -16.684 1.00 0.00 H new ATOM 0 HA HIS A 87 -25.334 8.496 -17.490 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -26.030 8.275 -19.709 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -26.512 6.788 -18.918 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -29.461 6.981 -18.137 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -30.218 9.185 -21.678 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -31.275 7.815 -19.815 1.00 0.00 H new TER 1376 HIS A 87 HETATM 1377 ZN ZN A 150 5.465 2.545 -6.417 1.00 0.00 ZN