USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 947 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 119 GLN : amide:sc= -1.96! C(o=-3.4!,f=-6.2!) USER MOD Set 1.2: A 123 GLN :FLIP amide:sc= -1.43 F(o=-6.2,f=-3.4) USER MOD Set 2.1: A 109 THR OG1 : rot 180:sc= 0.575 USER MOD Set 2.2: A 112 GLN : amide:sc= 0.57 K(o=1.1,f=-3.3!) USER MOD Single : A 20 HIS : no HD1:sc= -0.0406 X(o=-0.041,f=0) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0751 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.75 F(o=-1.3,f=-0.75) USER MOD Single : A 27 GLN : amide:sc= 0.637 K(o=0.64,f=-0.83) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.886 K(o=-0.89,f=-2.2!) USER MOD Single : A 48 ASN : amide:sc= -0.0858 X(o=-0.086,f=-0.12) USER MOD Single : A 49 GLN : amide:sc= -0.0445 X(o=-0.044,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.0143 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 130:sc= 0 USER MOD Single : A 69 SER OG : rot 142:sc= 1.51 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN :FLIP amide:sc= 0.137 F(o=-1.3,f=0.14) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.29) USER MOD Single : A 90 THR OG1 : rot 71:sc= 0.684 USER MOD Single : A 94 LYS NZ :NH3+ -140:sc= 1.2 (180deg=0.04) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -152:sc= 1.39 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.134 K(o=-0.13,f=-2.6!) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00723) USER MOD Single : A 104 LYS NZ :NH3+ 148:sc= 0.0417 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.0865 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -9.086 -22.204 2.905 1.00 0.00 N ATOM 2 CA GLY A 19 -10.113 -22.421 1.883 1.00 0.00 C ATOM 3 C GLY A 19 -10.539 -21.104 1.261 1.00 0.00 C ATOM 4 O GLY A 19 -10.046 -20.754 0.193 1.00 0.00 O ATOM 0 HA2 GLY A 19 -9.729 -23.086 1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.977 -22.915 2.328 1.00 0.00 H new ATOM 8 N HIS A 20 -11.460 -20.369 1.890 1.00 0.00 N ATOM 9 CA HIS A 20 -11.829 -19.040 1.410 1.00 0.00 C ATOM 10 C HIS A 20 -10.760 -18.024 1.795 1.00 0.00 C ATOM 11 O HIS A 20 -10.099 -18.182 2.824 1.00 0.00 O ATOM 12 CB HIS A 20 -13.177 -18.612 2.002 1.00 0.00 C ATOM 13 CG HIS A 20 -14.337 -19.100 1.186 1.00 0.00 C ATOM 14 ND1 HIS A 20 -15.276 -20.036 1.555 1.00 0.00 N ATOM 15 CD2 HIS A 20 -14.635 -18.680 -0.081 1.00 0.00 C ATOM 16 CE1 HIS A 20 -16.130 -20.171 0.529 1.00 0.00 C ATOM 17 NE2 HIS A 20 -15.786 -19.360 -0.487 1.00 0.00 N ATOM 0 H HIS A 20 -11.959 -20.671 2.727 1.00 0.00 H new ATOM 0 HA HIS A 20 -11.913 -19.080 0.324 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -13.263 -18.996 3.018 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -13.214 -17.525 2.068 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -14.082 -17.956 -0.661 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -16.978 -20.840 0.520 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -16.270 -19.261 -1.379 1.00 0.00 H new ATOM 25 N MET A 21 -10.691 -16.927 1.042 1.00 0.00 N ATOM 26 CA MET A 21 -9.831 -15.773 1.287 1.00 0.00 C ATOM 27 C MET A 21 -10.684 -14.508 1.458 1.00 0.00 C ATOM 28 O MET A 21 -11.894 -14.530 1.193 1.00 0.00 O ATOM 29 CB MET A 21 -8.793 -15.648 0.157 1.00 0.00 C ATOM 30 CG MET A 21 -9.411 -15.493 -1.241 1.00 0.00 C ATOM 31 SD MET A 21 -8.231 -15.076 -2.554 1.00 0.00 S ATOM 32 CE MET A 21 -9.375 -14.469 -3.822 1.00 0.00 C ATOM 0 H MET A 21 -11.262 -16.815 0.204 1.00 0.00 H new ATOM 0 HA MET A 21 -9.278 -15.908 2.216 1.00 0.00 H new ATOM 0 HB2 MET A 21 -8.153 -14.789 0.358 1.00 0.00 H new ATOM 0 HB3 MET A 21 -8.153 -16.531 0.165 1.00 0.00 H new ATOM 0 HG2 MET A 21 -9.913 -16.423 -1.506 1.00 0.00 H new ATOM 0 HG3 MET A 21 -10.176 -14.718 -1.200 1.00 0.00 H new ATOM 0 HE1 MET A 21 -8.812 -14.168 -4.706 1.00 0.00 H new ATOM 0 HE2 MET A 21 -10.075 -15.261 -4.090 1.00 0.00 H new ATOM 0 HE3 MET A 21 -9.927 -13.613 -3.434 1.00 0.00 H new ATOM 42 N LYS A 22 -10.075 -13.402 1.888 1.00 0.00 N ATOM 43 CA LYS A 22 -10.706 -12.092 2.014 1.00 0.00 C ATOM 44 C LYS A 22 -9.735 -11.039 1.482 1.00 0.00 C ATOM 45 O LYS A 22 -8.537 -11.132 1.733 1.00 0.00 O ATOM 46 CB LYS A 22 -11.064 -11.803 3.477 1.00 0.00 C ATOM 47 CG LYS A 22 -12.322 -12.520 3.998 1.00 0.00 C ATOM 48 CD LYS A 22 -13.657 -11.951 3.477 1.00 0.00 C ATOM 49 CE LYS A 22 -14.297 -12.802 2.370 1.00 0.00 C ATOM 50 NZ LYS A 22 -15.643 -12.304 1.996 1.00 0.00 N ATOM 0 H LYS A 22 -9.094 -13.396 2.167 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.631 -12.070 1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.218 -12.086 4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.203 -10.728 3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.261 -13.573 3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.324 -12.473 5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.356 -11.867 4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.490 -10.943 3.098 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.652 -12.799 1.491 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.373 -13.836 2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -16.040 -12.906 1.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -16.267 -12.331 2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.568 -11.326 1.651 1.00 0.00 H new ATOM 64 N PHE A 23 -10.268 -10.039 0.767 1.00 0.00 N ATOM 65 CA PHE A 23 -9.529 -9.101 -0.086 1.00 0.00 C ATOM 66 C PHE A 23 -8.555 -9.829 -1.047 1.00 0.00 C ATOM 67 O PHE A 23 -8.623 -11.053 -1.187 1.00 0.00 O ATOM 68 CB PHE A 23 -8.902 -7.995 0.780 1.00 0.00 C ATOM 69 CG PHE A 23 -9.821 -6.808 0.987 1.00 0.00 C ATOM 70 CD1 PHE A 23 -10.976 -6.924 1.784 1.00 0.00 C ATOM 71 CD2 PHE A 23 -9.562 -5.599 0.313 1.00 0.00 C ATOM 72 CE1 PHE A 23 -11.871 -5.845 1.884 1.00 0.00 C ATOM 73 CE2 PHE A 23 -10.457 -4.524 0.422 1.00 0.00 C ATOM 74 CZ PHE A 23 -11.616 -4.644 1.202 1.00 0.00 C ATOM 0 H PHE A 23 -11.271 -9.854 0.768 1.00 0.00 H new ATOM 0 HA PHE A 23 -10.218 -8.597 -0.764 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.632 -8.411 1.751 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.979 -7.654 0.311 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.174 -7.842 2.318 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -8.671 -5.499 -0.290 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.760 -5.940 2.489 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -10.252 -3.600 -0.097 1.00 0.00 H new ATOM 0 HZ PHE A 23 -12.308 -3.818 1.278 1.00 0.00 H new ATOM 84 N THR A 24 -7.721 -9.092 -1.777 1.00 0.00 N ATOM 85 CA THR A 24 -6.649 -9.522 -2.669 1.00 0.00 C ATOM 86 C THR A 24 -5.494 -8.530 -2.470 1.00 0.00 C ATOM 87 O THR A 24 -5.763 -7.342 -2.305 1.00 0.00 O ATOM 88 CB THR A 24 -7.190 -9.513 -4.119 1.00 0.00 C ATOM 89 OG1 THR A 24 -8.147 -8.494 -4.351 1.00 0.00 O ATOM 90 CG2 THR A 24 -7.913 -10.828 -4.415 1.00 0.00 C ATOM 0 H THR A 24 -7.787 -8.074 -1.755 1.00 0.00 H new ATOM 0 HA THR A 24 -6.295 -10.531 -2.460 1.00 0.00 H new ATOM 0 HB THR A 24 -6.317 -9.353 -4.752 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.451 -8.536 -5.282 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.291 -10.813 -5.437 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.219 -11.660 -4.297 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.746 -10.949 -3.722 1.00 0.00 H new ATOM 98 N ASP A 25 -4.224 -8.953 -2.535 1.00 0.00 N ATOM 99 CA ASP A 25 -3.069 -8.083 -2.229 1.00 0.00 C ATOM 100 C ASP A 25 -3.136 -6.795 -3.049 1.00 0.00 C ATOM 101 O ASP A 25 -2.925 -5.700 -2.524 1.00 0.00 O ATOM 102 CB ASP A 25 -1.696 -8.738 -2.494 1.00 0.00 C ATOM 103 CG ASP A 25 -1.360 -10.018 -1.723 1.00 0.00 C ATOM 104 OD1 ASP A 25 -1.680 -10.140 -0.521 1.00 0.00 O ATOM 105 OD2 ASP A 25 -0.776 -10.935 -2.346 1.00 0.00 O ATOM 0 H ASP A 25 -3.964 -9.903 -2.800 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.144 -7.884 -1.160 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.630 -8.960 -3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.924 -8.001 -2.274 1.00 0.00 H new ATOM 110 N GLN A 26 -3.470 -6.942 -4.338 1.00 0.00 N ATOM 111 CA GLN A 26 -3.715 -5.862 -5.292 1.00 0.00 C ATOM 112 C GLN A 26 -4.604 -4.771 -4.671 1.00 0.00 C ATOM 113 O GLN A 26 -4.229 -3.601 -4.658 1.00 0.00 O ATOM 114 CB GLN A 26 -4.381 -6.484 -6.535 1.00 0.00 C ATOM 115 CG GLN A 26 -3.401 -6.892 -7.656 1.00 0.00 C ATOM 116 CD GLN A 26 -3.444 -6.014 -8.914 1.00 0.00 C ATOM 117 OE1 GLN A 26 -4.593 -5.502 -9.310 1.00 0.00 O flip ATOM 118 NE2 GLN A 26 -2.458 -5.865 -9.625 1.00 0.00 N flip ATOM 0 H GLN A 26 -3.581 -7.864 -4.760 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.778 -5.380 -5.570 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.945 -7.364 -6.226 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.099 -5.771 -6.941 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.388 -6.874 -7.255 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.612 -7.922 -7.944 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.559 -6.253 -9.338 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.536 -5.353 -10.504 1.00 0.00 H new ATOM 127 N GLN A 27 -5.778 -5.149 -4.145 1.00 0.00 N ATOM 128 CA GLN A 27 -6.764 -4.234 -3.562 1.00 0.00 C ATOM 129 C GLN A 27 -6.252 -3.613 -2.261 1.00 0.00 C ATOM 130 O GLN A 27 -6.551 -2.457 -1.964 1.00 0.00 O ATOM 131 CB GLN A 27 -8.082 -4.989 -3.303 1.00 0.00 C ATOM 132 CG GLN A 27 -8.793 -5.475 -4.581 1.00 0.00 C ATOM 133 CD GLN A 27 -9.697 -4.447 -5.269 1.00 0.00 C ATOM 134 OE1 GLN A 27 -10.306 -3.598 -4.620 1.00 0.00 O ATOM 135 NE2 GLN A 27 -9.843 -4.546 -6.578 1.00 0.00 N ATOM 0 H GLN A 27 -6.073 -6.125 -4.114 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.938 -3.425 -4.271 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.876 -5.849 -2.666 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.758 -4.337 -2.750 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.036 -5.801 -5.294 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.393 -6.350 -4.331 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.328 -5.258 -7.096 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.471 -3.911 -7.071 1.00 0.00 H new ATOM 144 N ILE A 28 -5.520 -4.394 -1.464 1.00 0.00 N ATOM 145 CA ILE A 28 -5.078 -4.000 -0.132 1.00 0.00 C ATOM 146 C ILE A 28 -3.988 -2.942 -0.253 1.00 0.00 C ATOM 147 O ILE A 28 -3.992 -1.995 0.529 1.00 0.00 O ATOM 148 CB ILE A 28 -4.588 -5.239 0.645 1.00 0.00 C ATOM 149 CG1 ILE A 28 -5.767 -6.214 0.837 1.00 0.00 C ATOM 150 CG2 ILE A 28 -3.990 -4.876 2.017 1.00 0.00 C ATOM 151 CD1 ILE A 28 -5.356 -7.570 1.403 1.00 0.00 C ATOM 0 H ILE A 28 -5.215 -5.330 -1.733 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.909 -3.568 0.425 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.794 -5.704 0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.499 -5.758 1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.262 -6.366 -0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.661 -5.784 2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.139 -4.209 1.878 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.746 -4.378 2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.238 -8.202 1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.648 -8.047 0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.889 -7.431 2.378 1.00 0.00 H new ATOM 163 N GLY A 29 -3.069 -3.072 -1.211 1.00 0.00 N ATOM 164 CA GLY A 29 -1.950 -2.148 -1.310 1.00 0.00 C ATOM 165 C GLY A 29 -2.404 -0.723 -1.619 1.00 0.00 C ATOM 166 O GLY A 29 -1.842 0.222 -1.071 1.00 0.00 O ATOM 0 H GLY A 29 -3.081 -3.804 -1.922 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.392 -2.155 -0.374 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.269 -2.488 -2.090 1.00 0.00 H new ATOM 170 N VAL A 30 -3.456 -0.554 -2.426 1.00 0.00 N ATOM 171 CA VAL A 30 -4.044 0.758 -2.675 1.00 0.00 C ATOM 172 C VAL A 30 -4.568 1.341 -1.362 1.00 0.00 C ATOM 173 O VAL A 30 -4.326 2.507 -1.065 1.00 0.00 O ATOM 174 CB VAL A 30 -5.126 0.656 -3.770 1.00 0.00 C ATOM 175 CG1 VAL A 30 -5.958 1.935 -3.910 1.00 0.00 C ATOM 176 CG2 VAL A 30 -4.470 0.389 -5.133 1.00 0.00 C ATOM 0 H VAL A 30 -3.918 -1.318 -2.919 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.288 1.447 -3.052 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.783 -0.160 -3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.702 1.801 -4.696 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.461 2.147 -2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.304 2.768 -4.168 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.241 0.318 -5.900 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.790 1.206 -5.376 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.913 -0.547 -5.091 1.00 0.00 H new ATOM 186 N LEU A 31 -5.272 0.538 -0.564 1.00 0.00 N ATOM 187 CA LEU A 31 -5.795 0.937 0.739 1.00 0.00 C ATOM 188 C LEU A 31 -4.649 1.292 1.699 1.00 0.00 C ATOM 189 O LEU A 31 -4.781 2.247 2.466 1.00 0.00 O ATOM 190 CB LEU A 31 -6.691 -0.200 1.276 1.00 0.00 C ATOM 191 CG LEU A 31 -8.202 -0.082 0.978 1.00 0.00 C ATOM 192 CD1 LEU A 31 -8.553 0.508 -0.392 1.00 0.00 C ATOM 193 CD2 LEU A 31 -8.858 -1.467 1.061 1.00 0.00 C ATOM 0 H LEU A 31 -5.498 -0.425 -0.811 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.401 1.838 0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.333 -1.142 0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.559 -0.258 2.356 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.577 0.610 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.636 0.549 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.142 1.515 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.130 -0.119 -1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.924 -1.378 0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.398 -2.132 0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.719 -1.876 2.062 1.00 0.00 H new ATOM 205 N ALA A 32 -3.534 0.557 1.662 1.00 0.00 N ATOM 206 CA ALA A 32 -2.354 0.835 2.473 1.00 0.00 C ATOM 207 C ALA A 32 -1.676 2.138 2.036 1.00 0.00 C ATOM 208 O ALA A 32 -1.271 2.927 2.887 1.00 0.00 O ATOM 209 CB ALA A 32 -1.379 -0.347 2.403 1.00 0.00 C ATOM 0 H ALA A 32 -3.428 -0.258 1.058 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.668 0.965 3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.501 -0.131 3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.869 -1.245 2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.074 -0.506 1.369 1.00 0.00 H new ATOM 215 N GLY A 33 -1.573 2.400 0.732 1.00 0.00 N ATOM 216 CA GLY A 33 -1.010 3.646 0.224 1.00 0.00 C ATOM 217 C GLY A 33 -1.935 4.828 0.510 1.00 0.00 C ATOM 218 O GLY A 33 -1.467 5.922 0.799 1.00 0.00 O ATOM 0 H GLY A 33 -1.877 1.755 0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.037 3.823 0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.845 3.562 -0.850 1.00 0.00 H new ATOM 222 N LEU A 34 -3.258 4.633 0.503 1.00 0.00 N ATOM 223 CA LEU A 34 -4.182 5.677 0.936 1.00 0.00 C ATOM 224 C LEU A 34 -3.986 6.017 2.414 1.00 0.00 C ATOM 225 O LEU A 34 -4.186 7.163 2.825 1.00 0.00 O ATOM 226 CB LEU A 34 -5.636 5.282 0.649 1.00 0.00 C ATOM 227 CG LEU A 34 -6.219 6.044 -0.550 1.00 0.00 C ATOM 228 CD1 LEU A 34 -5.480 5.784 -1.865 1.00 0.00 C ATOM 229 CD2 LEU A 34 -7.692 5.673 -0.724 1.00 0.00 C ATOM 0 H LEU A 34 -3.707 3.767 0.204 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.959 6.574 0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.688 4.210 0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.245 5.477 1.532 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.101 7.104 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.949 6.356 -2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.438 6.089 -1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.525 4.721 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.105 6.214 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.779 4.601 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.243 5.939 0.178 1.00 0.00 H new ATOM 241 N ALA A 35 -3.562 5.047 3.222 1.00 0.00 N ATOM 242 CA ALA A 35 -3.193 5.290 4.608 1.00 0.00 C ATOM 243 C ALA A 35 -1.881 6.075 4.729 1.00 0.00 C ATOM 244 O ALA A 35 -1.728 6.783 5.724 1.00 0.00 O ATOM 245 CB ALA A 35 -3.101 3.971 5.391 1.00 0.00 C ATOM 0 H ALA A 35 -3.466 4.074 2.932 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.983 5.903 5.043 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.824 4.180 6.424 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.067 3.467 5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.347 3.329 4.936 1.00 0.00 H new ATOM 251 N ILE A 36 -0.955 5.971 3.771 1.00 0.00 N ATOM 252 CA ILE A 36 0.428 6.403 3.887 1.00 0.00 C ATOM 253 C ILE A 36 0.798 7.147 2.600 1.00 0.00 C ATOM 254 O ILE A 36 1.212 6.536 1.620 1.00 0.00 O ATOM 255 CB ILE A 36 1.357 5.189 4.123 1.00 0.00 C ATOM 256 CG1 ILE A 36 0.992 4.247 5.294 1.00 0.00 C ATOM 257 CG2 ILE A 36 2.814 5.657 4.269 1.00 0.00 C ATOM 258 CD1 ILE A 36 0.944 4.858 6.698 1.00 0.00 C ATOM 0 H ILE A 36 -1.164 5.566 2.859 1.00 0.00 H new ATOM 0 HA ILE A 36 0.550 7.068 4.742 1.00 0.00 H new ATOM 0 HB ILE A 36 1.215 4.577 3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.016 3.809 5.083 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.713 3.429 5.306 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.459 4.794 4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.124 6.172 3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.894 6.338 5.116 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.676 4.088 7.421 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.922 5.268 6.950 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.199 5.654 6.723 1.00 0.00 H new ATOM 270 N SER A 37 0.714 8.473 2.627 1.00 0.00 N ATOM 271 CA SER A 37 0.981 9.341 1.487 1.00 0.00 C ATOM 272 C SER A 37 -0.001 9.017 0.344 1.00 0.00 C ATOM 273 O SER A 37 0.394 8.562 -0.734 1.00 0.00 O ATOM 274 CB SER A 37 2.476 9.307 1.117 1.00 0.00 C ATOM 275 OG SER A 37 2.875 10.550 0.569 1.00 0.00 O ATOM 0 H SER A 37 0.451 8.988 3.467 1.00 0.00 H new ATOM 0 HA SER A 37 0.792 10.385 1.739 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.072 9.084 2.002 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.662 8.509 0.398 1.00 0.00 H new ATOM 0 HG SER A 37 3.827 10.516 0.340 1.00 0.00 H new ATOM 281 N PRO A 38 -1.304 9.305 0.542 1.00 0.00 N ATOM 282 CA PRO A 38 -2.334 9.017 -0.448 1.00 0.00 C ATOM 283 C PRO A 38 -2.057 9.759 -1.752 1.00 0.00 C ATOM 284 O PRO A 38 -2.368 9.246 -2.821 1.00 0.00 O ATOM 285 CB PRO A 38 -3.656 9.488 0.172 1.00 0.00 C ATOM 286 CG PRO A 38 -3.225 10.532 1.196 1.00 0.00 C ATOM 287 CD PRO A 38 -1.891 9.986 1.688 1.00 0.00 C ATOM 0 HA PRO A 38 -2.363 7.955 -0.693 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.321 9.915 -0.579 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.193 8.664 0.642 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.118 11.520 0.747 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.948 10.627 2.007 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.244 10.789 2.041 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.032 9.300 2.523 1.00 0.00 H new ATOM 295 N GLU A 39 -1.487 10.964 -1.693 1.00 0.00 N ATOM 296 CA GLU A 39 -1.206 11.721 -2.900 1.00 0.00 C ATOM 297 C GLU A 39 -0.074 11.101 -3.711 1.00 0.00 C ATOM 298 O GLU A 39 -0.166 11.066 -4.932 1.00 0.00 O ATOM 299 CB GLU A 39 -0.939 13.187 -2.587 1.00 0.00 C ATOM 300 CG GLU A 39 0.183 13.499 -1.593 1.00 0.00 C ATOM 301 CD GLU A 39 0.430 15.005 -1.626 1.00 0.00 C ATOM 302 OE1 GLU A 39 -0.469 15.772 -1.213 1.00 0.00 O ATOM 303 OE2 GLU A 39 1.482 15.432 -2.164 1.00 0.00 O ATOM 0 H GLU A 39 -1.215 11.428 -0.826 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.100 11.678 -3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.711 13.696 -3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.861 13.623 -2.203 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.096 13.180 -0.589 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.091 12.957 -1.859 1.00 0.00 H new ATOM 310 N TRP A 40 0.982 10.598 -3.072 1.00 0.00 N ATOM 311 CA TRP A 40 2.048 9.878 -3.765 1.00 0.00 C ATOM 312 C TRP A 40 1.437 8.697 -4.520 1.00 0.00 C ATOM 313 O TRP A 40 1.571 8.622 -5.740 1.00 0.00 O ATOM 314 CB TRP A 40 3.143 9.470 -2.781 1.00 0.00 C ATOM 315 CG TRP A 40 4.164 8.543 -3.350 1.00 0.00 C ATOM 316 CD1 TRP A 40 5.180 8.876 -4.176 1.00 0.00 C ATOM 317 CD2 TRP A 40 4.175 7.093 -3.280 1.00 0.00 C ATOM 318 NE1 TRP A 40 5.898 7.748 -4.519 1.00 0.00 N ATOM 319 CE2 TRP A 40 5.277 6.611 -4.043 1.00 0.00 C ATOM 320 CE3 TRP A 40 3.296 6.142 -2.724 1.00 0.00 C ATOM 321 CZ2 TRP A 40 5.506 5.242 -4.225 1.00 0.00 C ATOM 322 CZ3 TRP A 40 3.491 4.770 -2.938 1.00 0.00 C ATOM 323 CH2 TRP A 40 4.601 4.315 -3.673 1.00 0.00 C ATOM 0 H TRP A 40 1.122 10.678 -2.065 1.00 0.00 H new ATOM 0 HA TRP A 40 2.533 10.521 -4.500 1.00 0.00 H new ATOM 0 HB2 TRP A 40 3.645 10.368 -2.421 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.680 8.995 -1.916 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.398 9.877 -4.518 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.768 7.754 -5.051 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.461 6.474 -2.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.366 4.901 -4.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 2.785 4.058 -2.536 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.759 3.256 -3.814 1.00 0.00 H new ATOM 334 N LEU A 41 0.671 7.858 -3.812 1.00 0.00 N ATOM 335 CA LEU A 41 -0.115 6.753 -4.366 1.00 0.00 C ATOM 336 C LEU A 41 -0.888 7.247 -5.601 1.00 0.00 C ATOM 337 O LEU A 41 -0.708 6.714 -6.698 1.00 0.00 O ATOM 338 CB LEU A 41 -0.977 6.176 -3.213 1.00 0.00 C ATOM 339 CG LEU A 41 -2.053 5.099 -3.474 1.00 0.00 C ATOM 340 CD1 LEU A 41 -3.149 5.478 -4.462 1.00 0.00 C ATOM 341 CD2 LEU A 41 -1.460 3.780 -3.931 1.00 0.00 C ATOM 0 H LEU A 41 0.579 7.935 -2.799 1.00 0.00 H new ATOM 0 HA LEU A 41 0.495 5.930 -4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.287 5.763 -2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.480 7.019 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.516 5.003 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.847 4.648 -4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.681 6.356 -4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.704 5.702 -5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.261 3.060 -4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.907 3.931 -4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.785 3.399 -3.164 1.00 0.00 H new ATOM 353 N LYS A 42 -1.715 8.286 -5.445 1.00 0.00 N ATOM 354 CA LYS A 42 -2.584 8.820 -6.498 1.00 0.00 C ATOM 355 C LYS A 42 -1.788 9.343 -7.698 1.00 0.00 C ATOM 356 O LYS A 42 -2.195 9.094 -8.830 1.00 0.00 O ATOM 357 CB LYS A 42 -3.508 9.907 -5.910 1.00 0.00 C ATOM 358 CG LYS A 42 -4.596 9.294 -5.005 1.00 0.00 C ATOM 359 CD LYS A 42 -5.179 10.211 -3.917 1.00 0.00 C ATOM 360 CE LYS A 42 -6.219 11.185 -4.463 1.00 0.00 C ATOM 361 NZ LYS A 42 -7.074 11.753 -3.402 1.00 0.00 N ATOM 0 H LYS A 42 -1.800 8.790 -4.563 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.199 8.004 -6.877 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.915 10.619 -5.336 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.978 10.464 -6.720 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.415 8.953 -5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.179 8.411 -4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.634 9.600 -3.138 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.370 10.773 -3.450 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.713 11.994 -4.989 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.845 10.672 -5.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.763 12.408 -3.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.579 10.985 -2.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.483 12.267 -2.718 1.00 0.00 H new ATOM 375 N GLN A 43 -0.666 10.036 -7.490 1.00 0.00 N ATOM 376 CA GLN A 43 0.141 10.588 -8.577 1.00 0.00 C ATOM 377 C GLN A 43 0.776 9.446 -9.375 1.00 0.00 C ATOM 378 O GLN A 43 0.668 9.410 -10.601 1.00 0.00 O ATOM 379 CB GLN A 43 1.216 11.545 -8.026 1.00 0.00 C ATOM 380 CG GLN A 43 0.642 12.862 -7.459 1.00 0.00 C ATOM 381 CD GLN A 43 1.611 13.559 -6.501 1.00 0.00 C ATOM 382 OE1 GLN A 43 2.020 12.872 -5.453 1.00 0.00 O flip ATOM 383 NE2 GLN A 43 1.969 14.724 -6.634 1.00 0.00 N flip ATOM 0 H GLN A 43 -0.292 10.230 -6.561 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.502 11.164 -9.242 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.776 11.036 -7.242 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.923 11.780 -8.822 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.403 13.535 -8.283 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.292 12.653 -6.937 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.658 15.264 -7.441 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.578 15.153 -5.937 1.00 0.00 H new ATOM 392 N ASN A 44 1.388 8.479 -8.678 1.00 0.00 N ATOM 393 CA ASN A 44 2.048 7.342 -9.314 1.00 0.00 C ATOM 394 C ASN A 44 1.054 6.581 -10.202 1.00 0.00 C ATOM 395 O ASN A 44 1.410 6.153 -11.303 1.00 0.00 O ATOM 396 CB ASN A 44 2.592 6.355 -8.270 1.00 0.00 C ATOM 397 CG ASN A 44 3.816 6.740 -7.453 1.00 0.00 C ATOM 398 OD1 ASN A 44 4.497 5.834 -6.994 1.00 0.00 O ATOM 399 ND2 ASN A 44 4.126 8.003 -7.214 1.00 0.00 N ATOM 0 H ASN A 44 1.437 8.467 -7.659 1.00 0.00 H new ATOM 0 HA ASN A 44 2.872 7.740 -9.907 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.785 6.139 -7.570 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.822 5.424 -8.787 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.940 8.229 -6.642 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.551 8.751 -7.602 1.00 0.00 H new ATOM 406 N ILE A 45 -0.179 6.391 -9.709 1.00 0.00 N ATOM 407 CA ILE A 45 -1.283 5.800 -10.455 1.00 0.00 C ATOM 408 C ILE A 45 -1.596 6.644 -11.686 1.00 0.00 C ATOM 409 O ILE A 45 -1.640 6.103 -12.788 1.00 0.00 O ATOM 410 CB ILE A 45 -2.524 5.660 -9.549 1.00 0.00 C ATOM 411 CG1 ILE A 45 -2.367 4.534 -8.513 1.00 0.00 C ATOM 412 CG2 ILE A 45 -3.825 5.470 -10.347 1.00 0.00 C ATOM 413 CD1 ILE A 45 -2.390 3.122 -9.107 1.00 0.00 C ATOM 0 H ILE A 45 -0.435 6.653 -8.757 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.994 4.804 -10.790 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.599 6.607 -9.014 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.427 4.676 -7.980 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.167 4.619 -7.777 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.664 5.377 -9.658 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.982 6.331 -10.997 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.752 4.567 -10.953 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.273 2.389 -8.308 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.340 2.957 -9.615 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.573 3.014 -9.821 1.00 0.00 H new ATOM 425 N ALA A 46 -1.857 7.944 -11.511 1.00 0.00 N ATOM 426 CA ALA A 46 -2.266 8.830 -12.590 1.00 0.00 C ATOM 427 C ALA A 46 -1.284 8.746 -13.760 1.00 0.00 C ATOM 428 O ALA A 46 -1.703 8.660 -14.916 1.00 0.00 O ATOM 429 CB ALA A 46 -2.385 10.261 -12.062 1.00 0.00 C ATOM 0 H ALA A 46 -1.788 8.408 -10.606 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.242 8.517 -12.962 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.691 10.923 -12.872 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.128 10.294 -11.265 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.420 10.586 -11.672 1.00 0.00 H new ATOM 435 N ALA A 47 0.014 8.725 -13.450 1.00 0.00 N ATOM 436 CA ALA A 47 1.091 8.635 -14.421 1.00 0.00 C ATOM 437 C ALA A 47 1.225 7.265 -15.105 1.00 0.00 C ATOM 438 O ALA A 47 2.005 7.132 -16.051 1.00 0.00 O ATOM 439 CB ALA A 47 2.383 9.062 -13.719 1.00 0.00 C ATOM 0 H ALA A 47 0.348 8.772 -12.487 1.00 0.00 H new ATOM 0 HA ALA A 47 0.860 9.304 -15.250 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.214 9.006 -14.422 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.280 10.086 -13.359 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.575 8.399 -12.876 1.00 0.00 H new ATOM 445 N ASN A 48 0.492 6.241 -14.656 1.00 0.00 N ATOM 446 CA ASN A 48 0.706 4.826 -14.972 1.00 0.00 C ATOM 447 C ASN A 48 2.170 4.426 -14.739 1.00 0.00 C ATOM 448 O ASN A 48 2.778 3.738 -15.558 1.00 0.00 O ATOM 449 CB ASN A 48 0.178 4.480 -16.378 1.00 0.00 C ATOM 450 CG ASN A 48 0.109 2.972 -16.638 1.00 0.00 C ATOM 451 OD1 ASN A 48 0.789 2.434 -17.513 1.00 0.00 O ATOM 452 ND2 ASN A 48 -0.755 2.257 -15.943 1.00 0.00 N ATOM 0 H ASN A 48 -0.303 6.383 -14.034 1.00 0.00 H new ATOM 0 HA ASN A 48 0.119 4.219 -14.283 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.816 4.910 -16.503 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.822 4.943 -17.126 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.859 1.260 -16.130 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.319 2.701 -15.218 1.00 0.00 H new ATOM 459 N GLN A 49 2.775 4.920 -13.653 1.00 0.00 N ATOM 460 CA GLN A 49 4.163 4.610 -13.275 1.00 0.00 C ATOM 461 C GLN A 49 4.271 3.762 -12.001 1.00 0.00 C ATOM 462 O GLN A 49 5.380 3.386 -11.616 1.00 0.00 O ATOM 463 CB GLN A 49 4.997 5.894 -13.116 1.00 0.00 C ATOM 464 CG GLN A 49 4.973 6.854 -14.312 1.00 0.00 C ATOM 465 CD GLN A 49 5.697 6.385 -15.567 1.00 0.00 C ATOM 466 OE1 GLN A 49 6.662 7.012 -15.996 1.00 0.00 O ATOM 467 NE2 GLN A 49 5.228 5.337 -16.220 1.00 0.00 N ATOM 0 H GLN A 49 2.311 5.554 -13.003 1.00 0.00 H new ATOM 0 HA GLN A 49 4.564 4.014 -14.095 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.641 6.430 -12.236 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.032 5.612 -12.921 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.933 7.052 -14.571 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.410 7.802 -13.999 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.426 4.825 -15.853 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.668 5.040 -17.091 1.00 0.00 H new ATOM 476 N LEU A 50 3.164 3.486 -11.307 1.00 0.00 N ATOM 477 CA LEU A 50 3.168 2.684 -10.090 1.00 0.00 C ATOM 478 C LEU A 50 3.384 1.216 -10.444 1.00 0.00 C ATOM 479 O LEU A 50 2.620 0.669 -11.244 1.00 0.00 O ATOM 480 CB LEU A 50 1.837 2.834 -9.333 1.00 0.00 C ATOM 481 CG LEU A 50 1.853 2.158 -7.948 1.00 0.00 C ATOM 482 CD1 LEU A 50 2.928 2.692 -6.994 1.00 0.00 C ATOM 483 CD2 LEU A 50 0.500 2.395 -7.282 1.00 0.00 C ATOM 0 H LEU A 50 2.238 3.816 -11.578 1.00 0.00 H new ATOM 0 HA LEU A 50 3.977 3.035 -9.449 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.612 3.894 -9.212 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.034 2.404 -9.932 1.00 0.00 H new ATOM 0 HG LEU A 50 2.072 1.105 -8.127 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.867 2.161 -6.044 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.913 2.538 -7.434 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.768 3.757 -6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.491 1.924 -6.299 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.331 3.466 -7.172 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.289 1.964 -7.898 1.00 0.00 H new ATOM 495 N VAL A 51 4.350 0.570 -9.792 1.00 0.00 N ATOM 496 CA VAL A 51 4.562 -0.870 -9.829 1.00 0.00 C ATOM 497 C VAL A 51 4.272 -1.410 -8.417 1.00 0.00 C ATOM 498 O VAL A 51 4.440 -0.726 -7.401 1.00 0.00 O ATOM 499 CB VAL A 51 5.989 -1.191 -10.346 1.00 0.00 C ATOM 500 CG1 VAL A 51 6.257 -2.704 -10.448 1.00 0.00 C ATOM 501 CG2 VAL A 51 6.223 -0.611 -11.754 1.00 0.00 C ATOM 0 H VAL A 51 5.028 1.055 -9.204 1.00 0.00 H new ATOM 0 HA VAL A 51 3.889 -1.365 -10.529 1.00 0.00 H new ATOM 0 HB VAL A 51 6.660 -0.740 -9.615 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.270 -2.870 -10.815 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.148 -3.160 -9.464 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.543 -3.154 -11.138 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.233 -0.855 -12.085 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.500 -1.039 -12.449 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.102 0.472 -11.726 1.00 0.00 H new ATOM 511 N TYR A 52 3.812 -2.653 -8.359 1.00 0.00 N ATOM 512 CA TYR A 52 3.538 -3.452 -7.178 1.00 0.00 C ATOM 513 C TYR A 52 4.424 -4.688 -7.264 1.00 0.00 C ATOM 514 O TYR A 52 4.698 -5.166 -8.366 1.00 0.00 O ATOM 515 CB TYR A 52 2.052 -3.832 -7.196 1.00 0.00 C ATOM 516 CG TYR A 52 1.670 -4.974 -6.288 1.00 0.00 C ATOM 517 CD1 TYR A 52 1.582 -4.770 -4.900 1.00 0.00 C ATOM 518 CD2 TYR A 52 1.479 -6.257 -6.834 1.00 0.00 C ATOM 519 CE1 TYR A 52 1.347 -5.859 -4.047 1.00 0.00 C ATOM 520 CE2 TYR A 52 1.296 -7.357 -5.981 1.00 0.00 C ATOM 521 CZ TYR A 52 1.250 -7.163 -4.583 1.00 0.00 C ATOM 522 OH TYR A 52 1.121 -8.221 -3.742 1.00 0.00 O ATOM 0 H TYR A 52 3.604 -3.170 -9.213 1.00 0.00 H new ATOM 0 HA TYR A 52 3.746 -2.917 -6.251 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.466 -2.956 -6.918 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.772 -4.091 -8.217 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.695 -3.777 -4.491 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.473 -6.395 -7.905 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.241 -5.701 -2.984 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.191 -8.350 -6.393 1.00 0.00 H new ATOM 0 HH TYR A 52 1.065 -9.049 -4.264 1.00 0.00 H new ATOM 532 N GLY A 53 4.841 -5.230 -6.122 1.00 0.00 N ATOM 533 CA GLY A 53 5.694 -6.402 -6.095 1.00 0.00 C ATOM 534 C GLY A 53 5.705 -7.053 -4.724 1.00 0.00 C ATOM 535 O GLY A 53 5.092 -6.544 -3.782 1.00 0.00 O ATOM 0 H GLY A 53 4.596 -4.868 -5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.348 -7.121 -6.837 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.710 -6.120 -6.373 1.00 0.00 H new ATOM 539 N ILE A 54 6.417 -8.173 -4.616 1.00 0.00 N ATOM 540 CA ILE A 54 6.760 -8.836 -3.367 1.00 0.00 C ATOM 541 C ILE A 54 8.241 -8.578 -3.116 1.00 0.00 C ATOM 542 O ILE A 54 9.007 -8.479 -4.068 1.00 0.00 O ATOM 543 CB ILE A 54 6.450 -10.338 -3.510 1.00 0.00 C ATOM 544 CG1 ILE A 54 4.941 -10.592 -3.710 1.00 0.00 C ATOM 545 CG2 ILE A 54 6.993 -11.181 -2.347 1.00 0.00 C ATOM 546 CD1 ILE A 54 4.044 -10.151 -2.545 1.00 0.00 C ATOM 0 H ILE A 54 6.784 -8.661 -5.433 1.00 0.00 H new ATOM 0 HA ILE A 54 6.185 -8.459 -2.521 1.00 0.00 H new ATOM 0 HB ILE A 54 6.977 -10.664 -4.407 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.618 -10.073 -4.613 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.788 -11.657 -3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.741 -12.229 -2.509 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.076 -11.072 -2.294 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.548 -10.841 -1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.004 -10.372 -2.783 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.332 -10.688 -1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.159 -9.079 -2.383 1.00 0.00 H new ATOM 558 N VAL A 55 8.623 -8.512 -1.829 1.00 0.00 N ATOM 559 CA VAL A 55 9.997 -8.429 -1.369 1.00 0.00 C ATOM 560 C VAL A 55 10.834 -9.540 -1.980 1.00 0.00 C ATOM 561 O VAL A 55 11.413 -9.284 -3.031 1.00 0.00 O ATOM 562 CB VAL A 55 10.005 -8.403 0.183 1.00 0.00 C ATOM 563 CG1 VAL A 55 11.385 -8.710 0.796 1.00 0.00 C ATOM 564 CG2 VAL A 55 9.479 -7.032 0.650 1.00 0.00 C ATOM 0 H VAL A 55 7.950 -8.516 -1.062 1.00 0.00 H new ATOM 0 HA VAL A 55 10.465 -7.504 -1.705 1.00 0.00 H new ATOM 0 HB VAL A 55 9.354 -9.202 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.316 -8.675 1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 55 11.708 -9.703 0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.108 -7.969 0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.477 -6.995 1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.123 -6.243 0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.464 -6.887 0.280 1.00 0.00 H new ATOM 574 N LYS A 56 10.886 -10.748 -1.400 1.00 0.00 N ATOM 575 CA LYS A 56 11.847 -11.809 -1.733 1.00 0.00 C ATOM 576 C LYS A 56 13.321 -11.346 -1.621 1.00 0.00 C ATOM 577 O LYS A 56 13.602 -10.158 -1.530 1.00 0.00 O ATOM 578 CB LYS A 56 11.454 -12.420 -3.094 1.00 0.00 C ATOM 579 CG LYS A 56 10.175 -13.259 -2.936 1.00 0.00 C ATOM 580 CD LYS A 56 10.471 -14.697 -2.516 1.00 0.00 C ATOM 581 CE LYS A 56 9.165 -15.499 -2.514 1.00 0.00 C ATOM 582 NZ LYS A 56 9.376 -16.858 -1.991 1.00 0.00 N ATOM 0 H LYS A 56 10.238 -11.022 -0.661 1.00 0.00 H new ATOM 0 HA LYS A 56 11.792 -12.605 -0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.293 -11.628 -3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.265 -13.043 -3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.527 -12.793 -2.194 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.628 -13.264 -3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.188 -15.149 -3.201 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.924 -14.713 -1.525 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.420 -14.984 -1.907 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.767 -15.554 -3.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.475 -17.378 -2.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.069 -17.355 -2.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.733 -16.803 -1.016 1.00 0.00 H new ATOM 596 N PRO A 57 14.301 -12.274 -1.596 1.00 0.00 N ATOM 597 CA PRO A 57 15.725 -11.940 -1.504 1.00 0.00 C ATOM 598 C PRO A 57 16.395 -11.608 -2.851 1.00 0.00 C ATOM 599 O PRO A 57 17.600 -11.367 -2.886 1.00 0.00 O ATOM 600 CB PRO A 57 16.359 -13.183 -0.879 1.00 0.00 C ATOM 601 CG PRO A 57 15.506 -14.315 -1.439 1.00 0.00 C ATOM 602 CD PRO A 57 14.109 -13.704 -1.420 1.00 0.00 C ATOM 0 HA PRO A 57 15.860 -11.029 -0.921 1.00 0.00 H new ATOM 0 HB2 PRO A 57 17.407 -13.288 -1.161 1.00 0.00 H new ATOM 0 HB3 PRO A 57 16.324 -13.151 0.210 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.814 -14.597 -2.446 1.00 0.00 H new ATOM 0 HG3 PRO A 57 15.566 -15.213 -0.824 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.491 -14.117 -2.217 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.601 -13.918 -0.479 1.00 0.00 H new ATOM 610 N SER A 58 15.680 -11.711 -3.977 1.00 0.00 N ATOM 611 CA SER A 58 16.219 -11.499 -5.319 1.00 0.00 C ATOM 612 C SER A 58 16.808 -10.093 -5.526 1.00 0.00 C ATOM 613 O SER A 58 17.690 -9.936 -6.375 1.00 0.00 O ATOM 614 CB SER A 58 15.103 -11.771 -6.341 1.00 0.00 C ATOM 615 OG SER A 58 14.468 -13.027 -6.109 1.00 0.00 O ATOM 0 H SER A 58 14.688 -11.950 -3.977 1.00 0.00 H new ATOM 0 HA SER A 58 17.050 -12.190 -5.458 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.361 -10.974 -6.290 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.520 -11.755 -7.348 1.00 0.00 H new ATOM 0 HG SER A 58 13.763 -13.165 -6.776 1.00 0.00 H new ATOM 621 N ASP A 59 16.370 -9.105 -4.752 1.00 0.00 N ATOM 622 CA ASP A 59 16.843 -7.729 -4.666 1.00 0.00 C ATOM 623 C ASP A 59 17.196 -7.438 -3.206 1.00 0.00 C ATOM 624 O ASP A 59 16.774 -8.167 -2.305 1.00 0.00 O ATOM 625 CB ASP A 59 15.733 -6.753 -5.112 1.00 0.00 C ATOM 626 CG ASP A 59 16.011 -6.121 -6.468 1.00 0.00 C ATOM 627 OD1 ASP A 59 16.099 -6.865 -7.472 1.00 0.00 O ATOM 628 OD2 ASP A 59 16.137 -4.877 -6.533 1.00 0.00 O ATOM 0 H ASP A 59 15.598 -9.265 -4.105 1.00 0.00 H new ATOM 0 HA ASP A 59 17.710 -7.599 -5.313 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.783 -7.285 -5.153 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.626 -5.966 -4.365 1.00 0.00 H new ATOM 633 N THR A 60 17.917 -6.343 -2.946 1.00 0.00 N ATOM 634 CA THR A 60 18.138 -5.900 -1.574 1.00 0.00 C ATOM 635 C THR A 60 16.805 -5.472 -0.952 1.00 0.00 C ATOM 636 O THR A 60 15.948 -4.875 -1.619 1.00 0.00 O ATOM 637 CB THR A 60 19.194 -4.783 -1.508 1.00 0.00 C ATOM 638 OG1 THR A 60 19.758 -4.711 -0.214 1.00 0.00 O ATOM 639 CG2 THR A 60 18.643 -3.410 -1.895 1.00 0.00 C ATOM 0 H THR A 60 18.351 -5.757 -3.659 1.00 0.00 H new ATOM 0 HA THR A 60 18.535 -6.731 -0.991 1.00 0.00 H new ATOM 0 HB THR A 60 19.958 -5.046 -2.239 1.00 0.00 H new ATOM 0 HG1 THR A 60 20.429 -3.997 -0.189 1.00 0.00 H new ATOM 0 HG21 THR A 60 19.438 -2.667 -1.828 1.00 0.00 H new ATOM 0 HG22 THR A 60 18.264 -3.445 -2.916 1.00 0.00 H new ATOM 0 HG23 THR A 60 17.834 -3.138 -1.217 1.00 0.00 H new ATOM 647 N VAL A 61 16.679 -5.703 0.351 1.00 0.00 N ATOM 648 CA VAL A 61 15.563 -5.289 1.181 1.00 0.00 C ATOM 649 C VAL A 61 16.051 -5.135 2.628 1.00 0.00 C ATOM 650 O VAL A 61 17.120 -5.656 2.968 1.00 0.00 O ATOM 651 CB VAL A 61 14.409 -6.309 1.073 1.00 0.00 C ATOM 652 CG1 VAL A 61 13.584 -6.055 -0.198 1.00 0.00 C ATOM 653 CG2 VAL A 61 14.902 -7.768 1.143 1.00 0.00 C ATOM 0 H VAL A 61 17.390 -6.209 0.879 1.00 0.00 H new ATOM 0 HA VAL A 61 15.177 -4.329 0.839 1.00 0.00 H new ATOM 0 HB VAL A 61 13.764 -6.162 1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.775 -6.783 -0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.165 -5.049 -0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.226 -6.152 -1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 61 14.051 -8.444 1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 61 15.595 -7.958 0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 61 15.409 -7.935 2.093 1.00 0.00 H new ATOM 663 N PRO A 62 15.302 -4.428 3.491 1.00 0.00 N ATOM 664 CA PRO A 62 15.587 -4.369 4.920 1.00 0.00 C ATOM 665 C PRO A 62 15.161 -5.671 5.604 1.00 0.00 C ATOM 666 O PRO A 62 14.408 -6.473 5.042 1.00 0.00 O ATOM 667 CB PRO A 62 14.772 -3.180 5.437 1.00 0.00 C ATOM 668 CG PRO A 62 13.591 -3.117 4.472 1.00 0.00 C ATOM 669 CD PRO A 62 14.155 -3.603 3.145 1.00 0.00 C ATOM 0 HA PRO A 62 16.650 -4.248 5.127 1.00 0.00 H new ATOM 0 HB2 PRO A 62 14.444 -3.334 6.465 1.00 0.00 H new ATOM 0 HB3 PRO A 62 15.353 -2.258 5.423 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.769 -3.749 4.809 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.200 -2.103 4.389 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.413 -4.176 2.589 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.450 -2.765 2.513 1.00 0.00 H new ATOM 677 N ALA A 63 15.587 -5.855 6.852 1.00 0.00 N ATOM 678 CA ALA A 63 15.137 -6.944 7.704 1.00 0.00 C ATOM 679 C ALA A 63 13.685 -6.716 8.120 1.00 0.00 C ATOM 680 O ALA A 63 13.309 -5.599 8.496 1.00 0.00 O ATOM 681 CB ALA A 63 16.030 -7.014 8.946 1.00 0.00 C ATOM 0 H ALA A 63 16.265 -5.240 7.303 1.00 0.00 H new ATOM 0 HA ALA A 63 15.201 -7.884 7.156 1.00 0.00 H new ATOM 0 HB1 ALA A 63 15.697 -7.829 9.588 1.00 0.00 H new ATOM 0 HB2 ALA A 63 17.062 -7.190 8.643 1.00 0.00 H new ATOM 0 HB3 ALA A 63 15.968 -6.073 9.492 1.00 0.00 H new ATOM 687 N GLY A 64 12.894 -7.787 8.140 1.00 0.00 N ATOM 688 CA GLY A 64 11.560 -7.847 8.710 1.00 0.00 C ATOM 689 C GLY A 64 10.463 -7.575 7.682 1.00 0.00 C ATOM 690 O GLY A 64 9.523 -6.852 8.013 1.00 0.00 O ATOM 0 H GLY A 64 13.186 -8.678 7.738 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.402 -8.831 9.151 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.482 -7.120 9.518 1.00 0.00 H new ATOM 694 N VAL A 65 10.588 -8.076 6.448 1.00 0.00 N ATOM 695 CA VAL A 65 9.605 -7.929 5.364 1.00 0.00 C ATOM 696 C VAL A 65 9.682 -9.121 4.373 1.00 0.00 C ATOM 697 O VAL A 65 9.410 -8.943 3.195 1.00 0.00 O ATOM 698 CB VAL A 65 9.772 -6.551 4.647 1.00 0.00 C ATOM 699 CG1 VAL A 65 9.243 -5.345 5.442 1.00 0.00 C ATOM 700 CG2 VAL A 65 11.221 -6.239 4.239 1.00 0.00 C ATOM 0 H VAL A 65 11.406 -8.615 6.164 1.00 0.00 H new ATOM 0 HA VAL A 65 8.606 -7.946 5.800 1.00 0.00 H new ATOM 0 HB VAL A 65 9.156 -6.682 3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.401 -4.433 4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.178 -5.474 5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.775 -5.273 6.391 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.259 -5.267 3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.853 -6.222 5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.579 -7.007 3.553 1.00 0.00 H new ATOM 710 N ASP A 66 10.103 -10.326 4.781 1.00 0.00 N ATOM 711 CA ASP A 66 10.779 -11.302 3.890 1.00 0.00 C ATOM 712 C ASP A 66 9.947 -11.888 2.740 1.00 0.00 C ATOM 713 O ASP A 66 10.474 -12.405 1.753 1.00 0.00 O ATOM 714 CB ASP A 66 11.280 -12.468 4.756 1.00 0.00 C ATOM 715 CG ASP A 66 12.437 -13.233 4.125 1.00 0.00 C ATOM 716 OD1 ASP A 66 13.579 -12.732 4.188 1.00 0.00 O ATOM 717 OD2 ASP A 66 12.239 -14.407 3.739 1.00 0.00 O ATOM 0 H ASP A 66 9.988 -10.660 5.738 1.00 0.00 H new ATOM 0 HA ASP A 66 11.570 -10.733 3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.594 -12.082 5.726 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.455 -13.156 4.939 1.00 0.00 H new ATOM 722 N ASP A 67 8.638 -11.729 2.850 1.00 0.00 N ATOM 723 CA ASP A 67 7.600 -11.977 1.845 1.00 0.00 C ATOM 724 C ASP A 67 6.434 -11.048 2.185 1.00 0.00 C ATOM 725 O ASP A 67 5.306 -11.471 2.448 1.00 0.00 O ATOM 726 CB ASP A 67 7.201 -13.460 1.819 1.00 0.00 C ATOM 727 CG ASP A 67 6.160 -13.815 0.748 1.00 0.00 C ATOM 728 OD1 ASP A 67 5.834 -12.996 -0.135 1.00 0.00 O ATOM 729 OD2 ASP A 67 5.696 -14.979 0.756 1.00 0.00 O ATOM 0 H ASP A 67 8.231 -11.392 3.723 1.00 0.00 H new ATOM 0 HA ASP A 67 7.955 -11.763 0.837 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.095 -14.062 1.654 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.807 -13.736 2.797 1.00 0.00 H new ATOM 734 N TYR A 68 6.762 -9.763 2.335 1.00 0.00 N ATOM 735 CA TYR A 68 5.793 -8.677 2.329 1.00 0.00 C ATOM 736 C TYR A 68 5.629 -8.213 0.887 1.00 0.00 C ATOM 737 O TYR A 68 6.547 -8.331 0.073 1.00 0.00 O ATOM 738 CB TYR A 68 6.243 -7.542 3.261 1.00 0.00 C ATOM 739 CG TYR A 68 5.944 -7.771 4.741 1.00 0.00 C ATOM 740 CD1 TYR A 68 5.968 -9.063 5.312 1.00 0.00 C ATOM 741 CD2 TYR A 68 5.510 -6.686 5.529 1.00 0.00 C ATOM 742 CE1 TYR A 68 5.503 -9.281 6.618 1.00 0.00 C ATOM 743 CE2 TYR A 68 5.059 -6.893 6.845 1.00 0.00 C ATOM 744 CZ TYR A 68 5.018 -8.200 7.382 1.00 0.00 C ATOM 745 OH TYR A 68 4.477 -8.426 8.609 1.00 0.00 O ATOM 0 H TYR A 68 7.723 -9.448 2.466 1.00 0.00 H new ATOM 0 HA TYR A 68 4.829 -9.014 2.709 1.00 0.00 H new ATOM 0 HB2 TYR A 68 7.316 -7.396 3.140 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.758 -6.618 2.946 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.349 -9.893 4.736 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.524 -5.687 5.119 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.517 -10.276 7.037 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.744 -6.053 7.446 1.00 0.00 H new ATOM 0 HH TYR A 68 4.886 -7.822 9.263 1.00 0.00 H new ATOM 755 N SER A 69 4.482 -7.629 0.579 1.00 0.00 N ATOM 756 CA SER A 69 4.297 -6.848 -0.626 1.00 0.00 C ATOM 757 C SER A 69 4.973 -5.494 -0.453 1.00 0.00 C ATOM 758 O SER A 69 5.209 -5.049 0.674 1.00 0.00 O ATOM 759 CB SER A 69 2.804 -6.699 -0.956 1.00 0.00 C ATOM 760 OG SER A 69 1.930 -7.122 0.076 1.00 0.00 O ATOM 0 H SER A 69 3.649 -7.686 1.165 1.00 0.00 H new ATOM 0 HA SER A 69 4.758 -7.363 -1.469 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.598 -5.653 -1.184 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.585 -7.271 -1.858 1.00 0.00 H new ATOM 0 HG SER A 69 1.161 -6.517 0.122 1.00 0.00 H new ATOM 766 N TYR A 70 5.220 -4.803 -1.561 1.00 0.00 N ATOM 767 CA TYR A 70 5.596 -3.405 -1.590 1.00 0.00 C ATOM 768 C TYR A 70 4.918 -2.714 -2.765 1.00 0.00 C ATOM 769 O TYR A 70 4.315 -3.348 -3.636 1.00 0.00 O ATOM 770 CB TYR A 70 7.122 -3.258 -1.647 1.00 0.00 C ATOM 771 CG TYR A 70 7.757 -3.633 -2.974 1.00 0.00 C ATOM 772 CD1 TYR A 70 7.780 -2.709 -4.042 1.00 0.00 C ATOM 773 CD2 TYR A 70 8.343 -4.903 -3.137 1.00 0.00 C ATOM 774 CE1 TYR A 70 8.332 -3.074 -5.279 1.00 0.00 C ATOM 775 CE2 TYR A 70 8.945 -5.244 -4.360 1.00 0.00 C ATOM 776 CZ TYR A 70 8.923 -4.340 -5.443 1.00 0.00 C ATOM 777 OH TYR A 70 9.493 -4.649 -6.636 1.00 0.00 O ATOM 0 H TYR A 70 5.160 -5.219 -2.490 1.00 0.00 H new ATOM 0 HA TYR A 70 5.259 -2.922 -0.673 1.00 0.00 H new ATOM 0 HB2 TYR A 70 7.380 -2.224 -1.418 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.560 -3.877 -0.864 1.00 0.00 H new ATOM 0 HD1 TYR A 70 7.371 -1.719 -3.906 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.330 -5.613 -2.324 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.303 -2.381 -6.107 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.427 -6.204 -4.472 1.00 0.00 H new ATOM 0 HH TYR A 70 9.861 -5.557 -6.598 1.00 0.00 H new ATOM 787 N LEU A 71 5.037 -1.391 -2.778 1.00 0.00 N ATOM 788 CA LEU A 71 4.598 -0.497 -3.831 1.00 0.00 C ATOM 789 C LEU A 71 5.655 0.591 -3.967 1.00 0.00 C ATOM 790 O LEU A 71 6.159 1.067 -2.941 1.00 0.00 O ATOM 791 CB LEU A 71 3.267 0.133 -3.414 1.00 0.00 C ATOM 792 CG LEU A 71 2.071 -0.815 -3.587 1.00 0.00 C ATOM 793 CD1 LEU A 71 0.906 -0.400 -2.690 1.00 0.00 C ATOM 794 CD2 LEU A 71 1.629 -0.858 -5.050 1.00 0.00 C ATOM 0 H LEU A 71 5.470 -0.888 -2.003 1.00 0.00 H new ATOM 0 HA LEU A 71 4.466 -1.025 -4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.330 0.443 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.097 1.034 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 71 2.388 -1.814 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.073 -1.089 -2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.223 -0.425 -1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.590 0.611 -2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.781 -1.535 -5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.337 0.142 -5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.453 -1.212 -5.669 1.00 0.00 H new ATOM 806 N VAL A 72 5.984 0.968 -5.202 1.00 0.00 N ATOM 807 CA VAL A 72 6.939 2.018 -5.545 1.00 0.00 C ATOM 808 C VAL A 72 6.684 2.418 -7.012 1.00 0.00 C ATOM 809 O VAL A 72 6.143 1.612 -7.770 1.00 0.00 O ATOM 810 CB VAL A 72 8.373 1.502 -5.289 1.00 0.00 C ATOM 811 CG1 VAL A 72 8.757 0.375 -6.254 1.00 0.00 C ATOM 812 CG2 VAL A 72 9.399 2.639 -5.350 1.00 0.00 C ATOM 0 H VAL A 72 5.573 0.530 -6.026 1.00 0.00 H new ATOM 0 HA VAL A 72 6.817 2.908 -4.927 1.00 0.00 H new ATOM 0 HB VAL A 72 8.383 1.091 -4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.772 0.042 -6.039 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.067 -0.460 -6.131 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.705 0.741 -7.280 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.396 2.240 -5.165 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.371 3.102 -6.336 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.161 3.385 -4.592 1.00 0.00 H new ATOM 822 N ALA A 73 7.045 3.630 -7.440 1.00 0.00 N ATOM 823 CA ALA A 73 7.009 3.962 -8.862 1.00 0.00 C ATOM 824 C ALA A 73 8.221 3.331 -9.551 1.00 0.00 C ATOM 825 O ALA A 73 9.253 3.127 -8.909 1.00 0.00 O ATOM 826 CB ALA A 73 7.016 5.480 -9.085 1.00 0.00 C ATOM 0 H ALA A 73 7.361 4.386 -6.832 1.00 0.00 H new ATOM 0 HA ALA A 73 6.086 3.569 -9.287 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.989 5.691 -10.154 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.143 5.922 -8.605 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.922 5.907 -8.654 1.00 0.00 H new ATOM 832 N ALA A 74 8.142 3.135 -10.868 1.00 0.00 N ATOM 833 CA ALA A 74 9.236 2.593 -11.667 1.00 0.00 C ATOM 834 C ALA A 74 10.478 3.486 -11.678 1.00 0.00 C ATOM 835 O ALA A 74 11.578 3.000 -11.936 1.00 0.00 O ATOM 836 CB ALA A 74 8.752 2.330 -13.096 1.00 0.00 C ATOM 0 H ALA A 74 7.307 3.351 -11.413 1.00 0.00 H new ATOM 0 HA ALA A 74 9.539 1.657 -11.198 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.572 1.925 -13.689 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.931 1.614 -13.076 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.408 3.264 -13.541 1.00 0.00 H new ATOM 842 N ASP A 75 10.315 4.771 -11.374 1.00 0.00 N ATOM 843 CA ASP A 75 11.411 5.738 -11.279 1.00 0.00 C ATOM 844 C ASP A 75 11.813 5.979 -9.828 1.00 0.00 C ATOM 845 O ASP A 75 12.994 6.160 -9.558 1.00 0.00 O ATOM 846 CB ASP A 75 11.043 7.068 -11.933 1.00 0.00 C ATOM 847 CG ASP A 75 10.926 6.947 -13.447 1.00 0.00 C ATOM 848 OD1 ASP A 75 11.970 6.852 -14.132 1.00 0.00 O ATOM 849 OD2 ASP A 75 9.778 6.949 -13.948 1.00 0.00 O ATOM 0 H ASP A 75 9.400 5.180 -11.183 1.00 0.00 H new ATOM 0 HA ASP A 75 12.258 5.308 -11.814 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.097 7.424 -11.524 1.00 0.00 H new ATOM 0 HB3 ASP A 75 11.798 7.814 -11.686 1.00 0.00 H new ATOM 854 N ASP A 76 10.871 5.900 -8.883 1.00 0.00 N ATOM 855 CA ASP A 76 11.030 6.123 -7.438 1.00 0.00 C ATOM 856 C ASP A 76 11.823 4.991 -6.762 1.00 0.00 C ATOM 857 O ASP A 76 11.810 4.859 -5.536 1.00 0.00 O ATOM 858 CB ASP A 76 9.651 6.257 -6.754 1.00 0.00 C ATOM 859 CG ASP A 76 8.918 7.578 -7.000 1.00 0.00 C ATOM 860 OD1 ASP A 76 8.840 8.037 -8.163 1.00 0.00 O ATOM 861 OD2 ASP A 76 8.375 8.135 -6.019 1.00 0.00 O ATOM 0 H ASP A 76 9.908 5.662 -9.122 1.00 0.00 H new ATOM 0 HA ASP A 76 11.592 7.050 -7.322 1.00 0.00 H new ATOM 0 HB2 ASP A 76 9.015 5.440 -7.095 1.00 0.00 H new ATOM 0 HB3 ASP A 76 9.784 6.130 -5.680 1.00 0.00 H new ATOM 866 N GLN A 77 12.493 4.139 -7.542 1.00 0.00 N ATOM 867 CA GLN A 77 13.146 2.911 -7.105 1.00 0.00 C ATOM 868 C GLN A 77 14.236 3.132 -6.044 1.00 0.00 C ATOM 869 O GLN A 77 14.661 2.171 -5.405 1.00 0.00 O ATOM 870 CB GLN A 77 13.717 2.164 -8.318 1.00 0.00 C ATOM 871 CG GLN A 77 12.658 1.535 -9.238 1.00 0.00 C ATOM 872 CD GLN A 77 11.962 0.287 -8.686 1.00 0.00 C ATOM 873 OE1 GLN A 77 12.661 -0.658 -8.072 1.00 0.00 O flip ATOM 874 NE2 GLN A 77 10.757 0.121 -8.827 1.00 0.00 N flip ATOM 0 H GLN A 77 12.598 4.298 -8.544 1.00 0.00 H new ATOM 0 HA GLN A 77 12.379 2.306 -6.621 1.00 0.00 H new ATOM 0 HB2 GLN A 77 14.322 2.857 -8.903 1.00 0.00 H new ATOM 0 HB3 GLN A 77 14.384 1.378 -7.963 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.899 2.286 -9.456 1.00 0.00 H new ATOM 0 HG3 GLN A 77 13.132 1.276 -10.185 1.00 0.00 H new ATOM 0 HE21 GLN A 77 10.196 0.832 -9.296 1.00 0.00 H new ATOM 0 HE22 GLN A 77 10.315 -0.728 -8.476 1.00 0.00 H new ATOM 883 N ASP A 78 14.665 4.371 -5.802 1.00 0.00 N ATOM 884 CA ASP A 78 15.622 4.712 -4.752 1.00 0.00 C ATOM 885 C ASP A 78 15.046 5.732 -3.751 1.00 0.00 C ATOM 886 O ASP A 78 15.680 6.010 -2.731 1.00 0.00 O ATOM 887 CB ASP A 78 16.977 5.089 -5.383 1.00 0.00 C ATOM 888 CG ASP A 78 17.364 6.558 -5.233 1.00 0.00 C ATOM 889 OD1 ASP A 78 16.889 7.410 -6.014 1.00 0.00 O ATOM 890 OD2 ASP A 78 18.186 6.856 -4.338 1.00 0.00 O ATOM 0 H ASP A 78 14.351 5.179 -6.340 1.00 0.00 H new ATOM 0 HA ASP A 78 15.817 3.838 -4.131 1.00 0.00 H new ATOM 0 HB2 ASP A 78 17.756 4.474 -4.932 1.00 0.00 H new ATOM 0 HB3 ASP A 78 16.950 4.841 -6.444 1.00 0.00 H new ATOM 895 N GLY A 79 13.820 6.224 -3.961 1.00 0.00 N ATOM 896 CA GLY A 79 13.207 7.276 -3.161 1.00 0.00 C ATOM 897 C GLY A 79 12.323 6.722 -2.047 1.00 0.00 C ATOM 898 O GLY A 79 12.775 6.573 -0.902 1.00 0.00 O ATOM 0 H GLY A 79 13.216 5.890 -4.712 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.988 7.899 -2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.611 7.919 -3.808 1.00 0.00 H new ATOM 902 N THR A 80 11.047 6.473 -2.342 1.00 0.00 N ATOM 903 CA THR A 80 10.035 6.043 -1.373 1.00 0.00 C ATOM 904 C THR A 80 9.773 4.538 -1.546 1.00 0.00 C ATOM 905 O THR A 80 10.206 3.935 -2.526 1.00 0.00 O ATOM 906 CB THR A 80 8.766 6.912 -1.550 1.00 0.00 C ATOM 907 OG1 THR A 80 9.113 8.285 -1.617 1.00 0.00 O ATOM 908 CG2 THR A 80 7.778 6.824 -0.376 1.00 0.00 C ATOM 0 H THR A 80 10.677 6.567 -3.288 1.00 0.00 H new ATOM 0 HA THR A 80 10.380 6.186 -0.349 1.00 0.00 H new ATOM 0 HB THR A 80 8.304 6.529 -2.460 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.301 8.822 -1.731 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.917 7.461 -0.577 1.00 0.00 H new ATOM 0 HG22 THR A 80 7.447 5.793 -0.256 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.269 7.156 0.539 1.00 0.00 H new ATOM 916 N ILE A 81 9.085 3.908 -0.588 1.00 0.00 N ATOM 917 CA ILE A 81 8.502 2.576 -0.724 1.00 0.00 C ATOM 918 C ILE A 81 7.534 2.363 0.441 1.00 0.00 C ATOM 919 O ILE A 81 7.743 2.921 1.524 1.00 0.00 O ATOM 920 CB ILE A 81 9.620 1.500 -0.763 1.00 0.00 C ATOM 921 CG1 ILE A 81 9.051 0.076 -0.898 1.00 0.00 C ATOM 922 CG2 ILE A 81 10.574 1.602 0.450 1.00 0.00 C ATOM 923 CD1 ILE A 81 10.024 -0.852 -1.641 1.00 0.00 C ATOM 0 H ILE A 81 8.916 4.325 0.327 1.00 0.00 H new ATOM 0 HA ILE A 81 7.952 2.486 -1.661 1.00 0.00 H new ATOM 0 HB ILE A 81 10.207 1.706 -1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.845 -0.330 0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.101 0.112 -1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.339 0.829 0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 81 11.049 2.583 0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 81 10.007 1.467 1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.589 -1.849 -1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.210 -0.459 -2.641 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.964 -0.908 -1.093 1.00 0.00 H new ATOM 935 N ILE A 82 6.494 1.547 0.248 1.00 0.00 N ATOM 936 CA ILE A 82 5.511 1.244 1.282 1.00 0.00 C ATOM 937 C ILE A 82 5.280 -0.267 1.260 1.00 0.00 C ATOM 938 O ILE A 82 4.563 -0.767 0.391 1.00 0.00 O ATOM 939 CB ILE A 82 4.208 2.071 1.097 1.00 0.00 C ATOM 940 CG1 ILE A 82 4.483 3.549 0.732 1.00 0.00 C ATOM 941 CG2 ILE A 82 3.322 1.988 2.363 1.00 0.00 C ATOM 942 CD1 ILE A 82 3.212 4.354 0.475 1.00 0.00 C ATOM 0 H ILE A 82 6.313 1.076 -0.639 1.00 0.00 H new ATOM 0 HA ILE A 82 5.879 1.534 2.266 1.00 0.00 H new ATOM 0 HB ILE A 82 3.676 1.627 0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.044 4.017 1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.114 3.585 -0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.415 2.574 2.212 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.055 0.948 2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.871 2.383 3.218 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.476 5.381 0.224 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.661 3.909 -0.353 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.590 4.348 1.370 1.00 0.00 H new ATOM 954 N PHE A 83 5.925 -1.002 2.171 1.00 0.00 N ATOM 955 CA PHE A 83 5.712 -2.436 2.323 1.00 0.00 C ATOM 956 C PHE A 83 4.412 -2.678 3.100 1.00 0.00 C ATOM 957 O PHE A 83 4.040 -1.865 3.956 1.00 0.00 O ATOM 958 CB PHE A 83 6.895 -3.107 3.047 1.00 0.00 C ATOM 959 CG PHE A 83 8.268 -2.877 2.435 1.00 0.00 C ATOM 960 CD1 PHE A 83 9.032 -1.735 2.755 1.00 0.00 C ATOM 961 CD2 PHE A 83 8.802 -3.832 1.555 1.00 0.00 C ATOM 962 CE1 PHE A 83 10.314 -1.558 2.200 1.00 0.00 C ATOM 963 CE2 PHE A 83 10.083 -3.655 1.003 1.00 0.00 C ATOM 964 CZ PHE A 83 10.843 -2.522 1.328 1.00 0.00 C ATOM 0 H PHE A 83 6.609 -0.615 2.822 1.00 0.00 H new ATOM 0 HA PHE A 83 5.637 -2.880 1.331 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.914 -2.751 4.077 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.711 -4.181 3.084 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.631 -0.992 3.429 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.225 -4.709 1.300 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.891 -0.679 2.446 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.483 -4.395 0.326 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.830 -2.392 0.909 1.00 0.00 H new ATOM 974 N PHE A 84 3.754 -3.821 2.891 1.00 0.00 N ATOM 975 CA PHE A 84 2.661 -4.275 3.746 1.00 0.00 C ATOM 976 C PHE A 84 2.501 -5.786 3.602 1.00 0.00 C ATOM 977 O PHE A 84 2.862 -6.350 2.568 1.00 0.00 O ATOM 978 CB PHE A 84 1.328 -3.571 3.408 1.00 0.00 C ATOM 979 CG PHE A 84 0.725 -4.006 2.084 1.00 0.00 C ATOM 980 CD1 PHE A 84 1.223 -3.474 0.881 1.00 0.00 C ATOM 981 CD2 PHE A 84 -0.278 -4.995 2.045 1.00 0.00 C ATOM 982 CE1 PHE A 84 0.717 -3.917 -0.352 1.00 0.00 C ATOM 983 CE2 PHE A 84 -0.768 -5.454 0.810 1.00 0.00 C ATOM 984 CZ PHE A 84 -0.276 -4.912 -0.389 1.00 0.00 C ATOM 0 H PHE A 84 3.967 -4.457 2.122 1.00 0.00 H new ATOM 0 HA PHE A 84 2.912 -4.019 4.775 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.611 -3.768 4.205 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.492 -2.494 3.386 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.998 -2.722 0.905 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.671 -5.401 2.965 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.091 -3.493 -1.272 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.524 -6.225 0.783 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.660 -5.259 -1.337 1.00 0.00 H new ATOM 994 N LYS A 85 1.875 -6.425 4.588 1.00 0.00 N ATOM 995 CA LYS A 85 1.411 -7.805 4.506 1.00 0.00 C ATOM 996 C LYS A 85 0.097 -7.843 5.261 1.00 0.00 C ATOM 997 O LYS A 85 0.115 -7.657 6.479 1.00 0.00 O ATOM 998 CB LYS A 85 2.468 -8.727 5.133 1.00 0.00 C ATOM 999 CG LYS A 85 2.211 -10.242 5.097 1.00 0.00 C ATOM 1000 CD LYS A 85 2.213 -10.915 3.715 1.00 0.00 C ATOM 1001 CE LYS A 85 0.829 -10.832 3.067 1.00 0.00 C ATOM 1002 NZ LYS A 85 0.689 -11.643 1.842 1.00 0.00 N ATOM 0 H LYS A 85 1.672 -5.986 5.486 1.00 0.00 H new ATOM 0 HA LYS A 85 1.263 -8.147 3.482 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.417 -8.537 4.633 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.592 -8.433 6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.967 -10.729 5.713 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.246 -10.434 5.566 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.950 -10.433 3.072 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.511 -11.959 3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.081 -11.154 3.791 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.613 -9.791 2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.273 -11.535 1.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.379 -11.323 1.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.863 -12.644 2.066 1.00 0.00 H new ATOM 1016 N ALA A 86 -1.037 -7.950 4.564 1.00 0.00 N ATOM 1017 CA ALA A 86 -2.302 -8.233 5.229 1.00 0.00 C ATOM 1018 C ALA A 86 -2.354 -9.745 5.428 1.00 0.00 C ATOM 1019 O ALA A 86 -1.822 -10.507 4.622 1.00 0.00 O ATOM 1020 CB ALA A 86 -3.488 -7.735 4.419 1.00 0.00 C ATOM 0 H ALA A 86 -1.101 -7.846 3.551 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.362 -7.711 6.184 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.413 -7.965 4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.407 -6.657 4.281 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.496 -8.226 3.446 1.00 0.00 H new ATOM 1026 N GLU A 87 -2.985 -10.180 6.504 1.00 0.00 N ATOM 1027 CA GLU A 87 -2.939 -11.527 7.035 1.00 0.00 C ATOM 1028 C GLU A 87 -4.296 -11.826 7.679 1.00 0.00 C ATOM 1029 O GLU A 87 -5.322 -11.267 7.271 1.00 0.00 O ATOM 1030 CB GLU A 87 -1.792 -11.660 8.045 1.00 0.00 C ATOM 1031 CG GLU A 87 -0.406 -11.281 7.535 1.00 0.00 C ATOM 1032 CD GLU A 87 0.686 -11.768 8.487 1.00 0.00 C ATOM 1033 OE1 GLU A 87 0.748 -11.322 9.654 1.00 0.00 O ATOM 1034 OE2 GLU A 87 1.526 -12.589 8.046 1.00 0.00 O ATOM 0 H GLU A 87 -3.577 -9.565 7.062 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.749 -12.249 6.241 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.022 -11.038 8.910 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.759 -12.692 8.394 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.249 -11.712 6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.340 -10.199 7.425 1.00 0.00 H new ATOM 1041 N GLY A 88 -4.321 -12.733 8.661 1.00 0.00 N ATOM 1042 CA GLY A 88 -5.461 -13.041 9.503 1.00 0.00 C ATOM 1043 C GLY A 88 -6.033 -11.782 10.150 1.00 0.00 C ATOM 1044 O GLY A 88 -5.633 -11.394 11.247 1.00 0.00 O ATOM 0 H GLY A 88 -3.502 -13.295 8.894 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.233 -13.529 8.908 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.162 -13.747 10.278 1.00 0.00 H new ATOM 1048 N GLN A 89 -6.968 -11.141 9.447 1.00 0.00 N ATOM 1049 CA GLN A 89 -7.697 -9.937 9.828 1.00 0.00 C ATOM 1050 C GLN A 89 -6.827 -8.737 10.230 1.00 0.00 C ATOM 1051 O GLN A 89 -7.391 -7.717 10.625 1.00 0.00 O ATOM 1052 CB GLN A 89 -8.784 -10.285 10.866 1.00 0.00 C ATOM 1053 CG GLN A 89 -9.855 -11.232 10.299 1.00 0.00 C ATOM 1054 CD GLN A 89 -10.569 -10.615 9.094 1.00 0.00 C ATOM 1055 OE1 GLN A 89 -11.021 -9.473 9.140 1.00 0.00 O ATOM 1056 NE2 GLN A 89 -10.652 -11.307 7.966 1.00 0.00 N ATOM 0 H GLN A 89 -7.255 -11.478 8.528 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.184 -9.574 8.923 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.317 -10.748 11.735 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.260 -9.367 11.211 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.391 -12.173 10.005 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.584 -11.465 11.075 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.279 -12.255 7.921 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.089 -10.891 7.143 1.00 0.00 H new ATOM 1065 N THR A 90 -5.511 -8.799 10.043 1.00 0.00 N ATOM 1066 CA THR A 90 -4.529 -7.797 10.441 1.00 0.00 C ATOM 1067 C THR A 90 -3.712 -7.407 9.197 1.00 0.00 C ATOM 1068 O THR A 90 -3.733 -8.141 8.211 1.00 0.00 O ATOM 1069 CB THR A 90 -3.647 -8.390 11.569 1.00 0.00 C ATOM 1070 OG1 THR A 90 -4.427 -9.083 12.534 1.00 0.00 O ATOM 1071 CG2 THR A 90 -2.836 -7.322 12.314 1.00 0.00 C ATOM 0 H THR A 90 -5.077 -9.599 9.582 1.00 0.00 H new ATOM 0 HA THR A 90 -5.000 -6.895 10.832 1.00 0.00 H new ATOM 0 HB THR A 90 -2.965 -9.074 11.064 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.765 -9.916 12.144 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.238 -7.796 13.092 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.178 -6.810 11.612 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.515 -6.600 12.768 1.00 0.00 H new ATOM 1079 N VAL A 91 -2.986 -6.287 9.217 1.00 0.00 N ATOM 1080 CA VAL A 91 -2.076 -5.860 8.166 1.00 0.00 C ATOM 1081 C VAL A 91 -0.952 -5.027 8.705 1.00 0.00 C ATOM 1082 O VAL A 91 -1.167 -3.872 9.048 1.00 0.00 O ATOM 1083 CB VAL A 91 -2.823 -5.127 7.049 1.00 0.00 C ATOM 1084 CG1 VAL A 91 -3.660 -3.914 7.359 1.00 0.00 C ATOM 1085 CG2 VAL A 91 -1.945 -4.760 5.839 1.00 0.00 C ATOM 0 H VAL A 91 -3.021 -5.632 9.998 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.634 -6.760 7.738 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.534 -5.926 6.838 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.108 -3.537 6.440 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.448 -4.185 8.062 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.031 -3.141 7.800 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.550 -4.244 5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.134 -4.108 6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.529 -5.668 5.403 1.00 0.00 H new ATOM 1095 N ILE A 92 0.239 -5.601 8.768 1.00 0.00 N ATOM 1096 CA ILE A 92 1.441 -4.889 9.123 1.00 0.00 C ATOM 1097 C ILE A 92 1.795 -4.044 7.898 1.00 0.00 C ATOM 1098 O ILE A 92 2.402 -4.546 6.954 1.00 0.00 O ATOM 1099 CB ILE A 92 2.544 -5.888 9.505 1.00 0.00 C ATOM 1100 CG1 ILE A 92 2.177 -6.849 10.666 1.00 0.00 C ATOM 1101 CG2 ILE A 92 3.804 -5.112 9.917 1.00 0.00 C ATOM 1102 CD1 ILE A 92 1.254 -8.020 10.297 1.00 0.00 C ATOM 0 H ILE A 92 0.392 -6.590 8.570 1.00 0.00 H new ATOM 0 HA ILE A 92 1.315 -4.244 9.993 1.00 0.00 H new ATOM 0 HB ILE A 92 2.699 -6.505 8.620 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.099 -7.255 11.082 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.699 -6.269 11.456 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.591 -5.815 10.190 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.140 -4.496 9.083 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.576 -4.474 10.771 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.063 -8.626 11.183 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.311 -7.632 9.913 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.732 -8.634 9.533 1.00 0.00 H new ATOM 1114 N ILE A 93 1.402 -2.773 7.888 1.00 0.00 N ATOM 1115 CA ILE A 93 1.968 -1.789 6.972 1.00 0.00 C ATOM 1116 C ILE A 93 3.328 -1.403 7.556 1.00 0.00 C ATOM 1117 O ILE A 93 3.436 -1.025 8.729 1.00 0.00 O ATOM 1118 CB ILE A 93 1.065 -0.549 6.753 1.00 0.00 C ATOM 1119 CG1 ILE A 93 -0.416 -0.917 6.490 1.00 0.00 C ATOM 1120 CG2 ILE A 93 1.634 0.253 5.562 1.00 0.00 C ATOM 1121 CD1 ILE A 93 -1.325 0.286 6.238 1.00 0.00 C ATOM 0 H ILE A 93 0.686 -2.399 8.511 1.00 0.00 H new ATOM 0 HA ILE A 93 2.062 -2.222 5.976 1.00 0.00 H new ATOM 0 HB ILE A 93 1.071 0.044 7.667 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.466 -1.583 5.628 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.798 -1.474 7.346 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.015 1.133 5.387 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.653 0.566 5.788 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.636 -0.373 4.670 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.344 -0.058 6.063 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.308 0.943 7.108 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.971 0.832 5.364 1.00 0.00 H new ATOM 1133 N LYS A 94 4.372 -1.491 6.733 1.00 0.00 N ATOM 1134 CA LYS A 94 5.749 -1.180 7.083 1.00 0.00 C ATOM 1135 C LYS A 94 6.267 -0.187 6.050 1.00 0.00 C ATOM 1136 O LYS A 94 6.678 -0.551 4.956 1.00 0.00 O ATOM 1137 CB LYS A 94 6.579 -2.477 7.191 1.00 0.00 C ATOM 1138 CG LYS A 94 6.722 -2.943 8.648 1.00 0.00 C ATOM 1139 CD LYS A 94 7.490 -4.264 8.757 1.00 0.00 C ATOM 1140 CE LYS A 94 7.626 -4.671 10.231 1.00 0.00 C ATOM 1141 NZ LYS A 94 8.683 -5.678 10.436 1.00 0.00 N ATOM 0 H LYS A 94 4.272 -1.794 5.764 1.00 0.00 H new ATOM 0 HA LYS A 94 5.829 -0.714 8.065 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.104 -3.262 6.603 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.568 -2.312 6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.238 -2.175 9.225 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.732 -3.062 9.089 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.969 -5.044 8.202 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.477 -4.159 8.308 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.847 -3.788 10.831 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.675 -5.068 10.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.362 -6.381 11.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.889 -6.153 9.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.544 -5.211 10.786 1.00 0.00 H new ATOM 1155 N TYR A 95 6.233 1.098 6.374 1.00 0.00 N ATOM 1156 CA TYR A 95 6.562 2.178 5.450 1.00 0.00 C ATOM 1157 C TYR A 95 7.667 3.039 6.041 1.00 0.00 C ATOM 1158 O TYR A 95 7.983 2.913 7.220 1.00 0.00 O ATOM 1159 CB TYR A 95 5.298 2.986 5.196 1.00 0.00 C ATOM 1160 CG TYR A 95 4.825 3.760 6.404 1.00 0.00 C ATOM 1161 CD1 TYR A 95 3.951 3.140 7.306 1.00 0.00 C ATOM 1162 CD2 TYR A 95 5.279 5.069 6.639 1.00 0.00 C ATOM 1163 CE1 TYR A 95 3.588 3.802 8.491 1.00 0.00 C ATOM 1164 CE2 TYR A 95 4.879 5.755 7.798 1.00 0.00 C ATOM 1165 CZ TYR A 95 4.041 5.116 8.739 1.00 0.00 C ATOM 1166 OH TYR A 95 3.661 5.751 9.881 1.00 0.00 O ATOM 0 H TYR A 95 5.971 1.427 7.303 1.00 0.00 H new ATOM 0 HA TYR A 95 6.927 1.782 4.502 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.479 3.682 4.377 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.505 2.312 4.872 1.00 0.00 H new ATOM 0 HD1 TYR A 95 3.558 2.157 7.092 1.00 0.00 H new ATOM 0 HD2 TYR A 95 5.936 5.548 5.928 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.960 3.304 9.215 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.211 6.768 7.969 1.00 0.00 H new ATOM 0 HH TYR A 95 4.057 6.647 9.904 1.00 0.00 H new ATOM 1176 N THR A 96 8.267 3.911 5.245 1.00 0.00 N ATOM 1177 CA THR A 96 9.505 4.588 5.593 1.00 0.00 C ATOM 1178 C THR A 96 9.361 6.089 5.326 1.00 0.00 C ATOM 1179 O THR A 96 8.264 6.654 5.360 1.00 0.00 O ATOM 1180 CB THR A 96 10.682 3.800 4.983 1.00 0.00 C ATOM 1181 OG1 THR A 96 11.908 4.412 5.310 1.00 0.00 O ATOM 1182 CG2 THR A 96 10.576 3.598 3.469 1.00 0.00 C ATOM 0 H THR A 96 7.903 4.171 4.328 1.00 0.00 H new ATOM 0 HA THR A 96 9.745 4.584 6.656 1.00 0.00 H new ATOM 0 HB THR A 96 10.636 2.805 5.425 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.568 4.216 4.612 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.440 3.036 3.116 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.665 3.046 3.239 1.00 0.00 H new ATOM 0 HG23 THR A 96 10.547 4.568 2.974 1.00 0.00 H new ATOM 1190 N SER A 97 10.482 6.787 5.273 1.00 0.00 N ATOM 1191 CA SER A 97 10.627 8.013 4.509 1.00 0.00 C ATOM 1192 C SER A 97 11.767 7.900 3.490 1.00 0.00 C ATOM 1193 O SER A 97 11.994 8.835 2.722 1.00 0.00 O ATOM 1194 CB SER A 97 10.793 9.179 5.475 1.00 0.00 C ATOM 1195 OG SER A 97 11.664 8.888 6.564 1.00 0.00 O ATOM 0 H SER A 97 11.331 6.513 5.768 1.00 0.00 H new ATOM 0 HA SER A 97 9.730 8.195 3.918 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.179 10.041 4.931 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.815 9.460 5.866 1.00 0.00 H new ATOM 0 HG SER A 97 11.732 9.673 7.147 1.00 0.00 H new ATOM 1201 N GLN A 98 12.464 6.762 3.463 1.00 0.00 N ATOM 1202 CA GLN A 98 13.541 6.470 2.518 1.00 0.00 C ATOM 1203 C GLN A 98 13.696 4.969 2.285 1.00 0.00 C ATOM 1204 O GLN A 98 13.640 4.187 3.235 1.00 0.00 O ATOM 1205 CB GLN A 98 14.883 6.967 3.071 1.00 0.00 C ATOM 1206 CG GLN A 98 15.269 8.399 2.668 1.00 0.00 C ATOM 1207 CD GLN A 98 16.776 8.629 2.825 1.00 0.00 C ATOM 1208 OE1 GLN A 98 17.567 7.690 2.838 1.00 0.00 O ATOM 1209 NE2 GLN A 98 17.232 9.858 2.914 1.00 0.00 N ATOM 0 H GLN A 98 12.289 5.998 4.116 1.00 0.00 H new ATOM 0 HA GLN A 98 13.279 6.971 1.586 1.00 0.00 H new ATOM 0 HB2 GLN A 98 14.853 6.909 4.159 1.00 0.00 H new ATOM 0 HB3 GLN A 98 15.668 6.289 2.737 1.00 0.00 H new ATOM 0 HG2 GLN A 98 14.976 8.581 1.634 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.723 9.113 3.284 1.00 0.00 H new ATOM 0 HE21 GLN A 98 16.583 10.645 2.904 1.00 0.00 H new ATOM 0 HE22 GLN A 98 18.235 10.025 2.993 1.00 0.00 H new ATOM 1218 N ARG A 99 14.056 4.573 1.058 1.00 0.00 N ATOM 1219 CA ARG A 99 14.492 3.202 0.769 1.00 0.00 C ATOM 1220 C ARG A 99 15.608 2.734 1.703 1.00 0.00 C ATOM 1221 O ARG A 99 15.631 1.555 2.064 1.00 0.00 O ATOM 1222 CB ARG A 99 14.927 3.080 -0.705 1.00 0.00 C ATOM 1223 CG ARG A 99 13.786 2.875 -1.723 1.00 0.00 C ATOM 1224 CD ARG A 99 13.549 1.383 -2.018 1.00 0.00 C ATOM 1225 NE ARG A 99 12.707 1.184 -3.212 1.00 0.00 N ATOM 1226 CZ ARG A 99 12.875 0.232 -4.151 1.00 0.00 C ATOM 1227 NH1 ARG A 99 13.773 -0.742 -4.000 1.00 0.00 N ATOM 1228 NH2 ARG A 99 12.128 0.249 -5.247 1.00 0.00 N ATOM 0 H ARG A 99 14.054 5.188 0.244 1.00 0.00 H new ATOM 0 HA ARG A 99 13.639 2.547 0.946 1.00 0.00 H new ATOM 0 HB2 ARG A 99 15.476 3.981 -0.979 1.00 0.00 H new ATOM 0 HB3 ARG A 99 15.622 2.245 -0.792 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.869 3.320 -1.337 1.00 0.00 H new ATOM 0 HG3 ARG A 99 14.027 3.396 -2.650 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.508 0.885 -2.163 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.074 0.914 -1.157 1.00 0.00 H new ATOM 0 HE ARG A 99 11.925 1.826 -3.339 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.351 -0.777 -3.160 1.00 0.00 H new ATOM 0 HH12 ARG A 99 13.882 -1.452 -4.724 1.00 0.00 H new ATOM 0 HH21 ARG A 99 11.429 0.981 -5.377 1.00 0.00 H new ATOM 0 HH22 ARG A 99 12.252 -0.470 -5.960 1.00 0.00 H new ATOM 1242 N ASN A 100 16.499 3.630 2.130 1.00 0.00 N ATOM 1243 CA ASN A 100 17.687 3.260 2.917 1.00 0.00 C ATOM 1244 C ASN A 100 17.483 3.010 4.404 1.00 0.00 C ATOM 1245 O ASN A 100 18.427 2.616 5.090 1.00 0.00 O ATOM 1246 CB ASN A 100 18.838 4.265 2.748 1.00 0.00 C ATOM 1247 CG ASN A 100 19.717 3.896 1.577 1.00 0.00 C ATOM 1248 OD1 ASN A 100 20.588 3.039 1.683 1.00 0.00 O ATOM 1249 ND2 ASN A 100 19.456 4.473 0.424 1.00 0.00 N ATOM 0 H ASN A 100 16.422 4.630 1.944 1.00 0.00 H new ATOM 0 HA ASN A 100 17.938 2.292 2.482 1.00 0.00 H new ATOM 0 HB2 ASN A 100 18.432 5.266 2.600 1.00 0.00 H new ATOM 0 HB3 ASN A 100 19.435 4.295 3.659 1.00 0.00 H new ATOM 0 HD21 ASN A 100 19.983 4.210 -0.409 1.00 0.00 H new ATOM 0 HD22 ASN A 100 18.726 5.183 0.363 1.00 0.00 H new ATOM 1256 N THR A 101 16.285 3.242 4.910 1.00 0.00 N ATOM 1257 CA THR A 101 16.042 3.276 6.354 1.00 0.00 C ATOM 1258 C THR A 101 14.812 2.465 6.764 1.00 0.00 C ATOM 1259 O THR A 101 13.993 2.074 5.920 1.00 0.00 O ATOM 1260 CB THR A 101 16.046 4.727 6.875 1.00 0.00 C ATOM 1261 OG1 THR A 101 15.007 5.513 6.318 1.00 0.00 O ATOM 1262 CG2 THR A 101 17.380 5.437 6.621 1.00 0.00 C ATOM 0 H THR A 101 15.454 3.412 4.343 1.00 0.00 H new ATOM 0 HA THR A 101 16.871 2.771 6.849 1.00 0.00 H new ATOM 0 HB THR A 101 15.885 4.635 7.949 1.00 0.00 H new ATOM 0 HG1 THR A 101 15.053 6.422 6.682 1.00 0.00 H new ATOM 0 HG21 THR A 101 17.330 6.455 7.007 1.00 0.00 H new ATOM 0 HG22 THR A 101 18.181 4.897 7.125 1.00 0.00 H new ATOM 0 HG23 THR A 101 17.579 5.465 5.550 1.00 0.00 H new ATOM 1270 N LYS A 102 14.716 2.171 8.068 1.00 0.00 N ATOM 1271 CA LYS A 102 13.811 1.158 8.598 1.00 0.00 C ATOM 1272 C LYS A 102 12.355 1.593 8.477 1.00 0.00 C ATOM 1273 O LYS A 102 12.027 2.764 8.261 1.00 0.00 O ATOM 1274 CB LYS A 102 14.198 0.789 10.050 1.00 0.00 C ATOM 1275 CG LYS A 102 14.558 -0.701 10.207 1.00 0.00 C ATOM 1276 CD LYS A 102 13.379 -1.690 10.115 1.00 0.00 C ATOM 1277 CE LYS A 102 12.378 -1.574 11.277 1.00 0.00 C ATOM 1278 NZ LYS A 102 12.958 -2.045 12.551 1.00 0.00 N ATOM 0 H LYS A 102 15.272 2.637 8.785 1.00 0.00 H new ATOM 0 HA LYS A 102 13.914 0.256 7.995 1.00 0.00 H new ATOM 0 HB2 LYS A 102 15.046 1.399 10.362 1.00 0.00 H new ATOM 0 HB3 LYS A 102 13.369 1.031 10.716 1.00 0.00 H new ATOM 0 HG2 LYS A 102 15.287 -0.962 9.440 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.047 -0.837 11.171 1.00 0.00 H new ATOM 0 HD2 LYS A 102 12.851 -1.525 9.176 1.00 0.00 H new ATOM 0 HD3 LYS A 102 13.771 -2.707 10.086 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.063 -0.536 11.383 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.485 -2.156 11.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.237 -1.999 13.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.282 -3.027 12.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.764 -1.441 12.810 1.00 0.00 H new ATOM 1292 N LEU A 103 11.465 0.619 8.621 1.00 0.00 N ATOM 1293 CA LEU A 103 10.047 0.804 8.420 1.00 0.00 C ATOM 1294 C LEU A 103 9.396 1.092 9.767 1.00 0.00 C ATOM 1295 O LEU A 103 9.676 0.420 10.763 1.00 0.00 O ATOM 1296 CB LEU A 103 9.424 -0.444 7.770 1.00 0.00 C ATOM 1297 CG LEU A 103 10.008 -0.906 6.418 1.00 0.00 C ATOM 1298 CD1 LEU A 103 10.407 0.234 5.484 1.00 0.00 C ATOM 1299 CD2 LEU A 103 11.186 -1.859 6.612 1.00 0.00 C ATOM 0 H LEU A 103 11.719 -0.333 8.885 1.00 0.00 H new ATOM 0 HA LEU A 103 9.879 1.645 7.747 1.00 0.00 H new ATOM 0 HB2 LEU A 103 9.512 -1.271 8.475 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.360 -0.256 7.631 1.00 0.00 H new ATOM 0 HG LEU A 103 9.190 -1.434 5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 103 10.807 -0.178 4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.532 0.845 5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 103 11.167 0.850 5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.572 -2.164 5.639 1.00 0.00 H new ATOM 0 HD22 LEU A 103 11.973 -1.355 7.173 1.00 0.00 H new ATOM 0 HD23 LEU A 103 10.855 -2.739 7.163 1.00 0.00 H new ATOM 1311 N LYS A 104 8.468 2.045 9.772 1.00 0.00 N ATOM 1312 CA LYS A 104 7.470 2.223 10.818 1.00 0.00 C ATOM 1313 C LYS A 104 6.600 0.971 10.924 1.00 0.00 C ATOM 1314 O LYS A 104 6.627 0.122 10.033 1.00 0.00 O ATOM 1315 CB LYS A 104 6.568 3.433 10.509 1.00 0.00 C ATOM 1316 CG LYS A 104 7.230 4.797 10.725 1.00 0.00 C ATOM 1317 CD LYS A 104 7.946 5.382 9.498 1.00 0.00 C ATOM 1318 CE LYS A 104 8.049 6.908 9.664 1.00 0.00 C ATOM 1319 NZ LYS A 104 8.566 7.609 8.463 1.00 0.00 N ATOM 0 H LYS A 104 8.389 2.735 9.025 1.00 0.00 H new ATOM 0 HA LYS A 104 7.991 2.396 11.760 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.236 3.366 9.473 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.677 3.374 11.134 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.468 5.504 11.052 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.951 4.708 11.537 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.940 4.946 9.397 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.397 5.138 8.589 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.063 7.305 9.908 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.700 7.129 10.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.135 8.553 8.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.599 7.705 8.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.327 7.061 7.612 1.00 0.00 H new ATOM 1333 N ALA A 105 5.786 0.877 11.970 1.00 0.00 N ATOM 1334 CA ALA A 105 4.891 -0.243 12.228 1.00 0.00 C ATOM 1335 C ALA A 105 3.467 0.270 12.447 1.00 0.00 C ATOM 1336 O ALA A 105 3.055 0.549 13.578 1.00 0.00 O ATOM 1337 CB ALA A 105 5.411 -1.056 13.417 1.00 0.00 C ATOM 0 H ALA A 105 5.730 1.603 12.684 1.00 0.00 H new ATOM 0 HA ALA A 105 4.864 -0.909 11.366 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.739 -1.893 13.607 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.408 -1.435 13.191 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.457 -0.420 14.301 1.00 0.00 H new ATOM 1343 N LYS A 106 2.695 0.359 11.361 1.00 0.00 N ATOM 1344 CA LYS A 106 1.264 0.652 11.381 1.00 0.00 C ATOM 1345 C LYS A 106 0.567 -0.664 11.052 1.00 0.00 C ATOM 1346 O LYS A 106 0.280 -0.928 9.887 1.00 0.00 O ATOM 1347 CB LYS A 106 0.961 1.797 10.393 1.00 0.00 C ATOM 1348 CG LYS A 106 -0.525 2.200 10.289 1.00 0.00 C ATOM 1349 CD LYS A 106 -0.908 3.436 11.121 1.00 0.00 C ATOM 1350 CE LYS A 106 -1.313 4.627 10.234 1.00 0.00 C ATOM 1351 NZ LYS A 106 -1.328 5.912 10.968 1.00 0.00 N ATOM 0 H LYS A 106 3.061 0.225 10.418 1.00 0.00 H new ATOM 0 HA LYS A 106 0.902 1.008 12.346 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.538 2.673 10.689 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.311 1.504 9.403 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.764 2.393 9.243 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.140 1.358 10.607 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -1.733 3.183 11.787 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -0.066 3.723 11.751 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -0.621 4.701 9.396 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -2.302 4.442 9.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -1.607 6.678 10.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -2.008 5.856 11.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -0.379 6.107 11.346 1.00 0.00 H new ATOM 1365 N ALA A 107 0.358 -1.528 12.047 1.00 0.00 N ATOM 1366 CA ALA A 107 -0.523 -2.673 11.855 1.00 0.00 C ATOM 1367 C ALA A 107 -1.956 -2.143 11.813 1.00 0.00 C ATOM 1368 O ALA A 107 -2.261 -1.273 12.634 1.00 0.00 O ATOM 1369 CB ALA A 107 -0.344 -3.688 12.989 1.00 0.00 C ATOM 0 H ALA A 107 0.778 -1.457 12.974 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.285 -3.190 10.926 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.010 -4.535 12.827 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.689 -4.036 13.006 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.583 -3.215 13.942 1.00 0.00 H new ATOM 1375 N LEU A 108 -2.838 -2.626 10.928 1.00 0.00 N ATOM 1376 CA LEU A 108 -4.251 -2.258 11.009 1.00 0.00 C ATOM 1377 C LEU A 108 -5.048 -3.541 10.855 1.00 0.00 C ATOM 1378 O LEU A 108 -4.455 -4.609 10.718 1.00 0.00 O ATOM 1379 CB LEU A 108 -4.584 -1.229 9.916 1.00 0.00 C ATOM 1380 CG LEU A 108 -3.846 0.113 10.072 1.00 0.00 C ATOM 1381 CD1 LEU A 108 -3.873 0.879 8.751 1.00 0.00 C ATOM 1382 CD2 LEU A 108 -4.439 0.976 11.189 1.00 0.00 C ATOM 0 H LEU A 108 -2.602 -3.259 10.164 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.498 -1.789 11.961 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.339 -1.656 8.943 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.658 -1.044 9.921 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.816 -0.112 10.348 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.349 1.827 8.870 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.383 0.288 7.977 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -4.907 1.069 8.462 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.884 1.912 11.259 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.485 1.190 10.967 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.371 0.442 12.137 1.00 0.00 H new ATOM 1394 N THR A 109 -6.370 -3.470 10.842 1.00 0.00 N ATOM 1395 CA THR A 109 -7.186 -4.625 10.541 1.00 0.00 C ATOM 1396 C THR A 109 -7.682 -4.566 9.104 1.00 0.00 C ATOM 1397 O THR A 109 -7.887 -3.493 8.534 1.00 0.00 O ATOM 1398 CB THR A 109 -8.317 -4.777 11.561 1.00 0.00 C ATOM 1399 OG1 THR A 109 -9.124 -3.629 11.633 1.00 0.00 O ATOM 1400 CG2 THR A 109 -7.779 -5.112 12.952 1.00 0.00 C ATOM 0 H THR A 109 -6.898 -2.619 11.038 1.00 0.00 H new ATOM 0 HA THR A 109 -6.576 -5.524 10.626 1.00 0.00 H new ATOM 0 HB THR A 109 -8.931 -5.606 11.210 1.00 0.00 H new ATOM 0 HG1 THR A 109 -9.834 -3.769 12.294 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.611 -5.212 13.649 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.224 -6.049 12.912 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.118 -4.313 13.288 1.00 0.00 H new ATOM 1408 N LEU A 110 -7.999 -5.730 8.538 1.00 0.00 N ATOM 1409 CA LEU A 110 -8.756 -5.817 7.293 1.00 0.00 C ATOM 1410 C LEU A 110 -10.139 -5.165 7.408 1.00 0.00 C ATOM 1411 O LEU A 110 -10.792 -4.912 6.388 1.00 0.00 O ATOM 1412 CB LEU A 110 -8.961 -7.301 6.942 1.00 0.00 C ATOM 1413 CG LEU A 110 -7.747 -8.026 6.346 1.00 0.00 C ATOM 1414 CD1 LEU A 110 -8.132 -9.451 5.936 1.00 0.00 C ATOM 1415 CD2 LEU A 110 -7.268 -7.290 5.101 1.00 0.00 C ATOM 0 H LEU A 110 -7.739 -6.635 8.929 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.189 -5.291 6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.266 -7.829 7.846 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.787 -7.376 6.235 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.960 -8.053 7.099 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.263 -9.956 5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.481 -9.999 6.811 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.926 -9.413 5.191 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.406 -7.808 4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.070 -7.263 4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.985 -6.271 5.367 1.00 0.00 H new ATOM 1427 N SER A 111 -10.614 -4.927 8.632 1.00 0.00 N ATOM 1428 CA SER A 111 -11.821 -4.171 8.875 1.00 0.00 C ATOM 1429 C SER A 111 -11.520 -2.678 8.757 1.00 0.00 C ATOM 1430 O SER A 111 -12.217 -2.015 7.987 1.00 0.00 O ATOM 1431 CB SER A 111 -12.393 -4.545 10.244 1.00 0.00 C ATOM 1432 OG SER A 111 -13.804 -4.551 10.213 1.00 0.00 O ATOM 0 H SER A 111 -10.160 -5.261 9.482 1.00 0.00 H new ATOM 0 HA SER A 111 -12.578 -4.412 8.129 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.027 -5.528 10.540 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.044 -3.836 10.995 1.00 0.00 H new ATOM 0 HG SER A 111 -14.150 -4.794 11.097 1.00 0.00 H new ATOM 1438 N GLN A 112 -10.479 -2.175 9.452 1.00 0.00 N ATOM 1439 CA GLN A 112 -10.035 -0.785 9.383 1.00 0.00 C ATOM 1440 C GLN A 112 -9.995 -0.337 7.934 1.00 0.00 C ATOM 1441 O GLN A 112 -10.714 0.580 7.585 1.00 0.00 O ATOM 1442 CB GLN A 112 -8.641 -0.559 10.002 1.00 0.00 C ATOM 1443 CG GLN A 112 -8.646 0.180 11.347 1.00 0.00 C ATOM 1444 CD GLN A 112 -8.451 -0.780 12.506 1.00 0.00 C ATOM 1445 OE1 GLN A 112 -7.479 -1.524 12.547 1.00 0.00 O ATOM 1446 NE2 GLN A 112 -9.394 -0.868 13.418 1.00 0.00 N ATOM 0 H GLN A 112 -9.918 -2.743 10.087 1.00 0.00 H new ATOM 0 HA GLN A 112 -10.751 -0.202 9.962 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -8.158 -1.527 10.137 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -8.032 0.006 9.296 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -7.854 0.929 11.356 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -9.589 0.712 11.468 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -10.201 -0.246 13.379 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -9.318 -1.559 14.165 1.00 0.00 H new ATOM 1455 N LEU A 113 -9.184 -0.964 7.081 1.00 0.00 N ATOM 1456 CA LEU A 113 -8.910 -0.420 5.751 1.00 0.00 C ATOM 1457 C LEU A 113 -10.191 -0.241 4.927 1.00 0.00 C ATOM 1458 O LEU A 113 -10.335 0.754 4.219 1.00 0.00 O ATOM 1459 CB LEU A 113 -7.917 -1.318 5.007 1.00 0.00 C ATOM 1460 CG LEU A 113 -6.428 -1.117 5.334 1.00 0.00 C ATOM 1461 CD1 LEU A 113 -5.937 0.329 5.168 1.00 0.00 C ATOM 1462 CD2 LEU A 113 -6.060 -1.578 6.735 1.00 0.00 C ATOM 0 H LEU A 113 -8.708 -1.843 7.285 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.470 0.568 5.885 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -8.174 -2.356 5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -8.054 -1.164 3.937 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.927 -1.742 4.594 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.878 0.384 5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -6.083 0.647 4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -6.501 0.983 5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.997 -1.410 6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.638 -1.014 7.467 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -6.281 -2.640 6.838 1.00 0.00 H new ATOM 1474 N LYS A 114 -11.157 -1.156 5.051 1.00 0.00 N ATOM 1475 CA LYS A 114 -12.465 -1.015 4.416 1.00 0.00 C ATOM 1476 C LYS A 114 -13.220 0.180 5.007 1.00 0.00 C ATOM 1477 O LYS A 114 -13.830 0.948 4.266 1.00 0.00 O ATOM 1478 CB LYS A 114 -13.260 -2.306 4.639 1.00 0.00 C ATOM 1479 CG LYS A 114 -14.552 -2.335 3.801 1.00 0.00 C ATOM 1480 CD LYS A 114 -15.414 -3.501 4.283 1.00 0.00 C ATOM 1481 CE LYS A 114 -16.661 -3.809 3.448 1.00 0.00 C ATOM 1482 NZ LYS A 114 -17.590 -2.674 3.306 1.00 0.00 N ATOM 0 H LYS A 114 -11.052 -2.013 5.594 1.00 0.00 H new ATOM 0 HA LYS A 114 -12.337 -0.839 3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -12.640 -3.164 4.380 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -13.510 -2.401 5.696 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -15.093 -1.395 3.906 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -14.315 -2.450 2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -14.793 -4.396 4.315 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -15.729 -3.295 5.306 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -16.349 -4.134 2.456 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -17.193 -4.644 3.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -18.406 -2.963 2.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -17.919 -2.375 4.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -17.102 -1.881 2.842 1.00 0.00 H new ATOM 1496 N LYS A 115 -13.208 0.309 6.334 1.00 0.00 N ATOM 1497 CA LYS A 115 -13.814 1.383 7.115 1.00 0.00 C ATOM 1498 C LYS A 115 -13.022 2.705 7.061 1.00 0.00 C ATOM 1499 O LYS A 115 -13.438 3.685 7.684 1.00 0.00 O ATOM 1500 CB LYS A 115 -13.951 0.872 8.555 1.00 0.00 C ATOM 1501 CG LYS A 115 -15.145 1.470 9.314 1.00 0.00 C ATOM 1502 CD LYS A 115 -16.058 0.388 9.906 1.00 0.00 C ATOM 1503 CE LYS A 115 -16.851 -0.353 8.817 1.00 0.00 C ATOM 1504 NZ LYS A 115 -17.827 -1.286 9.414 1.00 0.00 N ATOM 0 H LYS A 115 -12.745 -0.379 6.928 1.00 0.00 H new ATOM 0 HA LYS A 115 -14.786 1.628 6.688 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -14.050 -0.213 8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.035 1.100 9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -14.779 2.112 10.115 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -15.723 2.101 8.639 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -15.456 -0.327 10.467 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -16.751 0.845 10.612 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -17.371 0.368 8.187 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -16.165 -0.903 8.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -18.349 -1.773 8.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -17.326 -1.987 9.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -18.495 -0.756 10.009 1.00 0.00 H new ATOM 1518 N GLU A 116 -11.883 2.738 6.372 1.00 0.00 N ATOM 1519 CA GLU A 116 -11.021 3.893 6.201 1.00 0.00 C ATOM 1520 C GLU A 116 -11.167 4.437 4.787 1.00 0.00 C ATOM 1521 O GLU A 116 -11.321 5.651 4.628 1.00 0.00 O ATOM 1522 CB GLU A 116 -9.555 3.527 6.474 1.00 0.00 C ATOM 1523 CG GLU A 116 -9.206 3.263 7.943 1.00 0.00 C ATOM 1524 CD GLU A 116 -8.941 4.545 8.714 1.00 0.00 C ATOM 1525 OE1 GLU A 116 -9.844 5.421 8.707 1.00 0.00 O ATOM 1526 OE2 GLU A 116 -7.866 4.626 9.340 1.00 0.00 O ATOM 0 H GLU A 116 -11.522 1.912 5.894 1.00 0.00 H new ATOM 0 HA GLU A 116 -11.321 4.658 6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.306 2.639 5.894 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.922 4.335 6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.024 2.720 8.416 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.326 2.622 7.995 1.00 0.00 H new ATOM 1533 N PHE A 117 -11.131 3.558 3.776 1.00 0.00 N ATOM 1534 CA PHE A 117 -10.975 3.923 2.373 1.00 0.00 C ATOM 1535 C PHE A 117 -11.868 3.107 1.433 1.00 0.00 C ATOM 1536 O PHE A 117 -11.619 3.077 0.228 1.00 0.00 O ATOM 1537 CB PHE A 117 -9.504 3.789 1.969 1.00 0.00 C ATOM 1538 CG PHE A 117 -8.526 4.499 2.881 1.00 0.00 C ATOM 1539 CD1 PHE A 117 -8.588 5.897 3.029 1.00 0.00 C ATOM 1540 CD2 PHE A 117 -7.591 3.758 3.626 1.00 0.00 C ATOM 1541 CE1 PHE A 117 -7.747 6.547 3.947 1.00 0.00 C ATOM 1542 CE2 PHE A 117 -6.750 4.413 4.540 1.00 0.00 C ATOM 1543 CZ PHE A 117 -6.832 5.806 4.712 1.00 0.00 C ATOM 0 H PHE A 117 -11.212 2.552 3.921 1.00 0.00 H new ATOM 0 HA PHE A 117 -11.297 4.959 2.272 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.246 2.730 1.937 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -9.383 4.177 0.958 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -9.284 6.471 2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.520 2.688 3.495 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -7.804 7.619 4.065 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -6.035 3.843 5.115 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.195 6.303 5.428 1.00 0.00 H new ATOM 1553 N TYR A 118 -12.909 2.427 1.938 1.00 0.00 N ATOM 1554 CA TYR A 118 -13.831 1.703 1.058 1.00 0.00 C ATOM 1555 C TYR A 118 -15.300 1.831 1.480 1.00 0.00 C ATOM 1556 O TYR A 118 -16.151 1.080 0.999 1.00 0.00 O ATOM 1557 CB TYR A 118 -13.344 0.255 0.873 1.00 0.00 C ATOM 1558 CG TYR A 118 -13.648 -0.359 -0.484 1.00 0.00 C ATOM 1559 CD1 TYR A 118 -13.275 0.299 -1.679 1.00 0.00 C ATOM 1560 CD2 TYR A 118 -14.233 -1.638 -0.549 1.00 0.00 C ATOM 1561 CE1 TYR A 118 -13.481 -0.322 -2.928 1.00 0.00 C ATOM 1562 CE2 TYR A 118 -14.499 -2.231 -1.793 1.00 0.00 C ATOM 1563 CZ TYR A 118 -14.118 -1.582 -2.990 1.00 0.00 C ATOM 1564 OH TYR A 118 -14.388 -2.181 -4.182 1.00 0.00 O ATOM 0 H TYR A 118 -13.129 2.365 2.932 1.00 0.00 H new ATOM 0 HA TYR A 118 -13.815 2.176 0.076 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.266 0.227 1.034 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.798 -0.366 1.645 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -12.830 1.282 -1.635 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -14.478 -2.165 0.362 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -13.153 0.164 -3.835 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -14.997 -3.188 -1.836 1.00 0.00 H new ATOM 0 HH TYR A 118 -14.828 -3.042 -4.023 1.00 0.00 H new ATOM 1574 N GLN A 119 -15.627 2.782 2.360 1.00 0.00 N ATOM 1575 CA GLN A 119 -16.991 3.055 2.799 1.00 0.00 C ATOM 1576 C GLN A 119 -17.959 3.411 1.663 1.00 0.00 C ATOM 1577 O GLN A 119 -18.953 2.706 1.473 1.00 0.00 O ATOM 1578 CB GLN A 119 -17.050 4.100 3.928 1.00 0.00 C ATOM 1579 CG GLN A 119 -16.204 5.382 3.788 1.00 0.00 C ATOM 1580 CD GLN A 119 -14.716 5.155 4.022 1.00 0.00 C ATOM 1581 OE1 GLN A 119 -14.340 4.253 4.753 1.00 0.00 O ATOM 1582 NE2 GLN A 119 -13.839 5.867 3.342 1.00 0.00 N ATOM 0 H GLN A 119 -14.935 3.393 2.793 1.00 0.00 H new ATOM 0 HA GLN A 119 -17.340 2.105 3.203 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -18.091 4.401 4.047 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -16.753 3.606 4.853 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -16.348 5.796 2.790 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -16.566 6.126 4.497 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -14.157 6.620 2.732 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -12.843 5.665 3.426 1.00 0.00 H new ATOM 1591 N THR A 120 -17.748 4.527 0.961 1.00 0.00 N ATOM 1592 CA THR A 120 -18.771 5.033 0.050 1.00 0.00 C ATOM 1593 C THR A 120 -18.866 4.167 -1.221 1.00 0.00 C ATOM 1594 O THR A 120 -18.127 3.191 -1.378 1.00 0.00 O ATOM 1595 CB THR A 120 -18.530 6.521 -0.261 1.00 0.00 C ATOM 1596 OG1 THR A 120 -17.496 6.666 -1.201 1.00 0.00 O ATOM 1597 CG2 THR A 120 -18.207 7.401 0.950 1.00 0.00 C ATOM 0 H THR A 120 -16.896 5.086 1.005 1.00 0.00 H new ATOM 0 HA THR A 120 -19.741 4.962 0.542 1.00 0.00 H new ATOM 0 HB THR A 120 -19.485 6.870 -0.652 1.00 0.00 H new ATOM 0 HG1 THR A 120 -17.356 7.618 -1.389 1.00 0.00 H new ATOM 0 HG21 THR A 120 -18.055 8.429 0.622 1.00 0.00 H new ATOM 0 HG22 THR A 120 -19.035 7.364 1.658 1.00 0.00 H new ATOM 0 HG23 THR A 120 -17.301 7.036 1.433 1.00 0.00 H new ATOM 1605 N ARG A 121 -19.773 4.512 -2.143 1.00 0.00 N ATOM 1606 CA ARG A 121 -19.836 3.912 -3.474 1.00 0.00 C ATOM 1607 C ARG A 121 -18.839 4.539 -4.414 1.00 0.00 C ATOM 1608 O ARG A 121 -18.072 3.823 -5.056 1.00 0.00 O ATOM 1609 CB ARG A 121 -21.226 4.065 -4.101 1.00 0.00 C ATOM 1610 CG ARG A 121 -22.125 2.880 -3.727 1.00 0.00 C ATOM 1611 CD ARG A 121 -23.309 2.836 -4.685 1.00 0.00 C ATOM 1612 NE ARG A 121 -24.317 1.855 -4.262 1.00 0.00 N ATOM 1613 CZ ARG A 121 -25.467 2.147 -3.643 1.00 0.00 C ATOM 1614 NH1 ARG A 121 -25.710 3.376 -3.185 1.00 0.00 N ATOM 1615 NH2 ARG A 121 -26.387 1.207 -3.478 1.00 0.00 N ATOM 0 H ARG A 121 -20.488 5.221 -1.981 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.605 2.856 -3.335 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -21.683 4.995 -3.762 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -21.136 4.131 -5.185 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -21.562 1.948 -3.781 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -22.475 2.982 -2.700 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -23.766 3.824 -4.744 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -22.957 2.587 -5.686 1.00 0.00 H new ATOM 0 HE ARG A 121 -24.125 0.872 -4.456 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -25.014 4.112 -3.304 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -26.592 3.580 -2.716 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -26.218 0.262 -3.823 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -27.264 1.429 -3.006 1.00 0.00 H new ATOM 1629 N SER A 122 -18.894 5.854 -4.579 1.00 0.00 N ATOM 1630 CA SER A 122 -18.134 6.481 -5.642 1.00 0.00 C ATOM 1631 C SER A 122 -16.632 6.334 -5.376 1.00 0.00 C ATOM 1632 O SER A 122 -15.874 6.196 -6.334 1.00 0.00 O ATOM 1633 CB SER A 122 -18.591 7.927 -5.773 1.00 0.00 C ATOM 1634 OG SER A 122 -20.007 8.000 -5.832 1.00 0.00 O ATOM 0 H SER A 122 -19.444 6.491 -4.003 1.00 0.00 H new ATOM 0 HA SER A 122 -18.315 5.990 -6.598 1.00 0.00 H new ATOM 0 HB2 SER A 122 -18.227 8.507 -4.925 1.00 0.00 H new ATOM 0 HB3 SER A 122 -18.161 8.370 -6.671 1.00 0.00 H new ATOM 0 HG SER A 122 -20.283 8.937 -5.914 1.00 0.00 H new ATOM 1640 N GLN A 123 -16.217 6.213 -4.105 1.00 0.00 N ATOM 1641 CA GLN A 123 -14.829 5.929 -3.740 1.00 0.00 C ATOM 1642 C GLN A 123 -14.336 4.657 -4.416 1.00 0.00 C ATOM 1643 O GLN A 123 -13.192 4.591 -4.844 1.00 0.00 O ATOM 1644 CB GLN A 123 -14.733 5.796 -2.217 1.00 0.00 C ATOM 1645 CG GLN A 123 -13.395 5.274 -1.672 1.00 0.00 C ATOM 1646 CD GLN A 123 -13.355 5.477 -0.163 1.00 0.00 C ATOM 1647 OE1 GLN A 123 -14.365 5.010 0.553 1.00 0.00 O flip ATOM 1648 NE2 GLN A 123 -12.449 6.084 0.390 1.00 0.00 N flip ATOM 0 H GLN A 123 -16.840 6.310 -3.303 1.00 0.00 H new ATOM 0 HA GLN A 123 -14.196 6.749 -4.079 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -14.928 6.772 -1.773 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -15.526 5.129 -1.879 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -13.279 4.217 -1.912 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -12.566 5.801 -2.144 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -11.668 6.446 -0.158 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -12.474 6.229 1.399 1.00 0.00 H new ATOM 1657 N LYS A 124 -15.199 3.646 -4.533 1.00 0.00 N ATOM 1658 CA LYS A 124 -14.838 2.371 -5.128 1.00 0.00 C ATOM 1659 C LYS A 124 -14.438 2.551 -6.583 1.00 0.00 C ATOM 1660 O LYS A 124 -13.657 1.749 -7.069 1.00 0.00 O ATOM 1661 CB LYS A 124 -15.994 1.361 -5.048 1.00 0.00 C ATOM 1662 CG LYS A 124 -16.659 1.291 -3.666 1.00 0.00 C ATOM 1663 CD LYS A 124 -17.947 0.466 -3.678 1.00 0.00 C ATOM 1664 CE LYS A 124 -17.672 -0.986 -3.301 1.00 0.00 C ATOM 1665 NZ LYS A 124 -18.880 -1.628 -2.753 1.00 0.00 N ATOM 0 H LYS A 124 -16.167 3.695 -4.216 1.00 0.00 H new ATOM 0 HA LYS A 124 -13.993 1.982 -4.560 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -16.747 1.625 -5.791 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -15.619 0.372 -5.311 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -15.960 0.857 -2.951 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -16.881 2.301 -3.321 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -18.665 0.897 -2.980 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -18.401 0.508 -4.668 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -17.331 -1.535 -4.179 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -16.868 -1.029 -2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -18.666 -2.615 -2.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -19.190 -1.116 -1.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -19.638 -1.607 -3.465 1.00 0.00 H new ATOM 1679 N ARG A 125 -14.974 3.566 -7.272 1.00 0.00 N ATOM 1680 CA ARG A 125 -14.647 3.803 -8.668 1.00 0.00 C ATOM 1681 C ARG A 125 -13.165 4.141 -8.755 1.00 0.00 C ATOM 1682 O ARG A 125 -12.448 3.527 -9.541 1.00 0.00 O ATOM 1683 CB ARG A 125 -15.512 4.938 -9.264 1.00 0.00 C ATOM 1684 CG ARG A 125 -16.032 4.578 -10.656 1.00 0.00 C ATOM 1685 CD ARG A 125 -16.516 5.809 -11.426 1.00 0.00 C ATOM 1686 NE ARG A 125 -16.960 5.428 -12.776 1.00 0.00 N ATOM 1687 CZ ARG A 125 -17.232 6.231 -13.810 1.00 0.00 C ATOM 1688 NH1 ARG A 125 -17.227 7.551 -13.661 1.00 0.00 N ATOM 1689 NH2 ARG A 125 -17.531 5.682 -14.982 1.00 0.00 N ATOM 0 H ARG A 125 -15.637 4.233 -6.877 1.00 0.00 H new ATOM 0 HA ARG A 125 -14.860 2.908 -9.253 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -16.354 5.141 -8.602 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -14.923 5.854 -9.321 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -15.241 4.085 -11.222 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -16.850 3.864 -10.563 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -17.336 6.284 -10.887 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -15.712 6.542 -11.494 1.00 0.00 H new ATOM 0 HE ARG A 125 -17.074 4.428 -12.944 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -17.014 7.961 -12.751 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -17.436 8.155 -14.456 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -17.550 4.667 -15.080 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -17.742 6.276 -15.784 1.00 0.00 H new ATOM 1703 N GLU A 126 -12.724 5.108 -7.951 1.00 0.00 N ATOM 1704 CA GLU A 126 -11.336 5.527 -7.885 1.00 0.00 C ATOM 1705 C GLU A 126 -10.456 4.410 -7.356 1.00 0.00 C ATOM 1706 O GLU A 126 -9.528 4.007 -8.034 1.00 0.00 O ATOM 1707 CB GLU A 126 -11.198 6.757 -6.991 1.00 0.00 C ATOM 1708 CG GLU A 126 -11.415 8.066 -7.739 1.00 0.00 C ATOM 1709 CD GLU A 126 -12.882 8.509 -7.718 1.00 0.00 C ATOM 1710 OE1 GLU A 126 -13.656 8.124 -8.621 1.00 0.00 O ATOM 1711 OE2 GLU A 126 -13.278 9.252 -6.787 1.00 0.00 O ATOM 0 H GLU A 126 -13.335 5.626 -7.320 1.00 0.00 H new ATOM 0 HA GLU A 126 -11.011 5.776 -8.895 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -11.917 6.688 -6.175 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -10.205 6.763 -6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -10.796 8.844 -7.293 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -11.087 7.951 -8.772 1.00 0.00 H new ATOM 1718 N VAL A 127 -10.745 3.902 -6.164 1.00 0.00 N ATOM 1719 CA VAL A 127 -9.933 2.869 -5.533 1.00 0.00 C ATOM 1720 C VAL A 127 -9.718 1.710 -6.512 1.00 0.00 C ATOM 1721 O VAL A 127 -8.585 1.298 -6.722 1.00 0.00 O ATOM 1722 CB VAL A 127 -10.591 2.421 -4.216 1.00 0.00 C ATOM 1723 CG1 VAL A 127 -9.918 1.193 -3.588 1.00 0.00 C ATOM 1724 CG2 VAL A 127 -10.534 3.554 -3.178 1.00 0.00 C ATOM 0 H VAL A 127 -11.549 4.194 -5.608 1.00 0.00 H new ATOM 0 HA VAL A 127 -8.949 3.264 -5.281 1.00 0.00 H new ATOM 0 HB VAL A 127 -11.617 2.162 -4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -10.431 0.930 -2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -9.970 0.355 -4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -8.874 1.421 -3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -11.003 3.223 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -9.494 3.818 -2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -11.064 4.426 -3.562 1.00 0.00 H new ATOM 1734 N ASP A 128 -10.780 1.174 -7.117 1.00 0.00 N ATOM 1735 CA ASP A 128 -10.660 0.020 -8.004 1.00 0.00 C ATOM 1736 C ASP A 128 -10.037 0.382 -9.361 1.00 0.00 C ATOM 1737 O ASP A 128 -9.418 -0.465 -10.000 1.00 0.00 O ATOM 1738 CB ASP A 128 -12.040 -0.588 -8.188 1.00 0.00 C ATOM 1739 CG ASP A 128 -11.941 -1.970 -8.854 1.00 0.00 C ATOM 1740 OD1 ASP A 128 -11.541 -2.940 -8.176 1.00 0.00 O ATOM 1741 OD2 ASP A 128 -12.431 -2.094 -9.993 1.00 0.00 O ATOM 0 H ASP A 128 -11.732 1.522 -7.007 1.00 0.00 H new ATOM 0 HA ASP A 128 -9.984 -0.702 -7.546 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -12.534 -0.680 -7.221 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -12.655 0.072 -8.799 1.00 0.00 H new ATOM 1746 N ASP A 129 -10.149 1.647 -9.787 1.00 0.00 N ATOM 1747 CA ASP A 129 -9.387 2.202 -10.903 1.00 0.00 C ATOM 1748 C ASP A 129 -7.900 2.127 -10.583 1.00 0.00 C ATOM 1749 O ASP A 129 -7.133 1.619 -11.398 1.00 0.00 O ATOM 1750 CB ASP A 129 -9.839 3.634 -11.248 1.00 0.00 C ATOM 1751 CG ASP A 129 -8.904 4.354 -12.227 1.00 0.00 C ATOM 1752 OD1 ASP A 129 -7.802 4.801 -11.846 1.00 0.00 O ATOM 1753 OD2 ASP A 129 -9.359 4.612 -13.365 1.00 0.00 O ATOM 0 H ASP A 129 -10.783 2.320 -9.356 1.00 0.00 H new ATOM 0 HA ASP A 129 -9.579 1.607 -11.796 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -10.841 3.597 -11.676 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -9.907 4.216 -10.329 1.00 0.00 H new ATOM 1758 N TYR A 130 -7.497 2.560 -9.387 1.00 0.00 N ATOM 1759 CA TYR A 130 -6.117 2.535 -8.941 1.00 0.00 C ATOM 1760 C TYR A 130 -5.610 1.089 -8.909 1.00 0.00 C ATOM 1761 O TYR A 130 -4.486 0.812 -9.328 1.00 0.00 O ATOM 1762 CB TYR A 130 -5.983 3.176 -7.547 1.00 0.00 C ATOM 1763 CG TYR A 130 -6.557 4.565 -7.272 1.00 0.00 C ATOM 1764 CD1 TYR A 130 -6.844 5.497 -8.292 1.00 0.00 C ATOM 1765 CD2 TYR A 130 -6.811 4.926 -5.935 1.00 0.00 C ATOM 1766 CE1 TYR A 130 -7.311 6.786 -7.976 1.00 0.00 C ATOM 1767 CE2 TYR A 130 -7.317 6.191 -5.609 1.00 0.00 C ATOM 1768 CZ TYR A 130 -7.537 7.144 -6.628 1.00 0.00 C ATOM 1769 OH TYR A 130 -7.986 8.390 -6.300 1.00 0.00 O ATOM 0 H TYR A 130 -8.139 2.944 -8.693 1.00 0.00 H new ATOM 0 HA TYR A 130 -5.513 3.112 -9.641 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -6.442 2.492 -6.833 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -4.919 3.216 -7.312 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -6.704 5.218 -9.326 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -6.612 4.215 -5.147 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -7.497 7.501 -8.763 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -7.538 6.437 -4.581 1.00 0.00 H new ATOM 0 HH TYR A 130 -8.085 8.456 -5.327 1.00 0.00 H new ATOM 1779 N VAL A 131 -6.430 0.138 -8.447 1.00 0.00 N ATOM 1780 CA VAL A 131 -6.026 -1.264 -8.356 1.00 0.00 C ATOM 1781 C VAL A 131 -5.751 -1.845 -9.751 1.00 0.00 C ATOM 1782 O VAL A 131 -5.005 -2.816 -9.859 1.00 0.00 O ATOM 1783 CB VAL A 131 -7.065 -2.081 -7.552 1.00 0.00 C ATOM 1784 CG1 VAL A 131 -6.650 -3.555 -7.446 1.00 0.00 C ATOM 1785 CG2 VAL A 131 -7.177 -1.597 -6.098 1.00 0.00 C ATOM 0 H VAL A 131 -7.382 0.319 -8.129 1.00 0.00 H new ATOM 0 HA VAL A 131 -5.087 -1.328 -7.806 1.00 0.00 H new ATOM 0 HB VAL A 131 -8.005 -1.954 -8.088 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.399 -4.104 -6.876 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -6.569 -3.983 -8.445 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -5.686 -3.626 -6.942 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.917 -2.198 -5.570 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -6.210 -1.698 -5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -7.483 -0.551 -6.085 1.00 0.00 H new ATOM 1795 N ALA A 132 -6.301 -1.277 -10.828 1.00 0.00 N ATOM 1796 CA ALA A 132 -5.995 -1.724 -12.186 1.00 0.00 C ATOM 1797 C ALA A 132 -5.042 -0.776 -12.932 1.00 0.00 C ATOM 1798 O ALA A 132 -4.482 -1.154 -13.963 1.00 0.00 O ATOM 1799 CB ALA A 132 -7.307 -1.955 -12.936 1.00 0.00 C ATOM 0 H ALA A 132 -6.964 -0.503 -10.783 1.00 0.00 H new ATOM 0 HA ALA A 132 -5.449 -2.665 -12.129 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.092 -2.289 -13.951 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -7.892 -2.716 -12.420 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -7.874 -1.025 -12.973 1.00 0.00 H new ATOM 1805 N GLY A 133 -4.830 0.439 -12.421 1.00 0.00 N ATOM 1806 CA GLY A 133 -3.865 1.397 -12.945 1.00 0.00 C ATOM 1807 C GLY A 133 -2.452 1.032 -12.507 1.00 0.00 C ATOM 1808 O GLY A 133 -1.487 1.385 -13.180 1.00 0.00 O ATOM 0 H GLY A 133 -5.340 0.789 -11.610 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -3.920 1.418 -14.033 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -4.112 2.399 -12.594 1.00 0.00 H new ATOM 1812 N LEU A 134 -2.298 0.351 -11.368 1.00 0.00 N ATOM 1813 CA LEU A 134 -1.000 -0.129 -10.918 1.00 0.00 C ATOM 1814 C LEU A 134 -0.554 -1.319 -11.763 1.00 0.00 C ATOM 1815 O LEU A 134 -1.359 -2.145 -12.203 1.00 0.00 O ATOM 1816 CB LEU A 134 -1.018 -0.427 -9.415 1.00 0.00 C ATOM 1817 CG LEU A 134 -1.822 -1.664 -8.974 1.00 0.00 C ATOM 1818 CD1 LEU A 134 -0.972 -2.936 -8.977 1.00 0.00 C ATOM 1819 CD2 LEU A 134 -2.291 -1.440 -7.535 1.00 0.00 C ATOM 0 H LEU A 134 -3.068 0.121 -10.739 1.00 0.00 H new ATOM 0 HA LEU A 134 -0.256 0.655 -11.061 1.00 0.00 H new ATOM 0 HB2 LEU A 134 0.011 -0.550 -9.078 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -1.420 0.444 -8.898 1.00 0.00 H new ATOM 0 HG LEU A 134 -2.649 -1.791 -9.673 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -1.582 -3.782 -8.659 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -0.594 -3.119 -9.983 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -0.134 -2.815 -8.291 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -2.864 -2.305 -7.200 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -1.425 -1.305 -6.887 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -2.919 -0.550 -7.491 1.00 0.00 H new ATOM 1831 N ARG A 135 0.758 -1.417 -11.949 1.00 0.00 N ATOM 1832 CA ARG A 135 1.425 -2.432 -12.757 1.00 0.00 C ATOM 1833 C ARG A 135 2.087 -3.425 -11.805 1.00 0.00 C ATOM 1834 O ARG A 135 2.202 -3.133 -10.619 1.00 0.00 O ATOM 1835 CB ARG A 135 2.437 -1.714 -13.670 1.00 0.00 C ATOM 1836 CG ARG A 135 1.726 -0.753 -14.648 1.00 0.00 C ATOM 1837 CD ARG A 135 2.642 0.310 -15.256 1.00 0.00 C ATOM 1838 NE ARG A 135 3.357 -0.189 -16.436 1.00 0.00 N ATOM 1839 CZ ARG A 135 3.936 0.574 -17.368 1.00 0.00 C ATOM 1840 NH1 ARG A 135 3.890 1.897 -17.312 1.00 0.00 N ATOM 1841 NH2 ARG A 135 4.566 0.014 -18.393 1.00 0.00 N ATOM 0 H ARG A 135 1.414 -0.763 -11.522 1.00 0.00 H new ATOM 0 HA ARG A 135 0.736 -2.988 -13.393 1.00 0.00 H new ATOM 0 HB2 ARG A 135 3.148 -1.156 -13.061 1.00 0.00 H new ATOM 0 HB3 ARG A 135 3.009 -2.451 -14.233 1.00 0.00 H new ATOM 0 HG2 ARG A 135 1.280 -1.336 -15.453 1.00 0.00 H new ATOM 0 HG3 ARG A 135 0.909 -0.257 -14.124 1.00 0.00 H new ATOM 0 HD2 ARG A 135 2.050 1.183 -15.533 1.00 0.00 H new ATOM 0 HD3 ARG A 135 3.363 0.638 -14.507 1.00 0.00 H new ATOM 0 HE ARG A 135 3.417 -1.200 -16.555 1.00 0.00 H new ATOM 0 HH11 ARG A 135 3.404 2.358 -16.543 1.00 0.00 H new ATOM 0 HH12 ARG A 135 4.341 2.454 -18.038 1.00 0.00 H new ATOM 0 HH21 ARG A 135 4.609 -1.002 -18.471 1.00 0.00 H new ATOM 0 HH22 ARG A 135 5.007 0.600 -19.102 1.00 0.00 H new ATOM 1855 N THR A 136 2.539 -4.584 -12.279 1.00 0.00 N ATOM 1856 CA THR A 136 3.265 -5.553 -11.446 1.00 0.00 C ATOM 1857 C THR A 136 4.615 -5.938 -12.078 1.00 0.00 C ATOM 1858 O THR A 136 5.362 -6.758 -11.545 1.00 0.00 O ATOM 1859 CB THR A 136 2.334 -6.745 -11.115 1.00 0.00 C ATOM 1860 OG1 THR A 136 1.036 -6.328 -10.709 1.00 0.00 O ATOM 1861 CG2 THR A 136 2.855 -7.695 -10.033 1.00 0.00 C ATOM 0 H THR A 136 2.415 -4.881 -13.247 1.00 0.00 H new ATOM 0 HA THR A 136 3.538 -5.102 -10.492 1.00 0.00 H new ATOM 0 HB THR A 136 2.299 -7.284 -12.062 1.00 0.00 H new ATOM 0 HG1 THR A 136 0.486 -7.115 -10.513 1.00 0.00 H new ATOM 0 HG21 THR A 136 2.133 -8.496 -9.873 1.00 0.00 H new ATOM 0 HG22 THR A 136 3.806 -8.122 -10.351 1.00 0.00 H new ATOM 0 HG23 THR A 136 2.998 -7.144 -9.103 1.00 0.00 H new ATOM 1869 N GLU A 137 4.965 -5.328 -13.206 1.00 0.00 N ATOM 1870 CA GLU A 137 6.171 -5.548 -13.998 1.00 0.00 C ATOM 1871 C GLU A 137 6.314 -4.357 -14.942 1.00 0.00 C ATOM 1872 O GLU A 137 5.516 -3.398 -14.852 1.00 0.00 O ATOM 1873 CB GLU A 137 6.025 -6.889 -14.766 1.00 0.00 C ATOM 1874 CG GLU A 137 6.962 -8.006 -14.273 1.00 0.00 C ATOM 1875 CD GLU A 137 8.306 -8.072 -15.008 1.00 0.00 C ATOM 1876 OE1 GLU A 137 9.205 -7.241 -14.750 1.00 0.00 O ATOM 1877 OE2 GLU A 137 8.529 -9.026 -15.795 1.00 0.00 O ATOM 0 H GLU A 137 4.368 -4.613 -13.622 1.00 0.00 H new ATOM 0 HA GLU A 137 7.066 -5.621 -13.380 1.00 0.00 H new ATOM 0 HB2 GLU A 137 4.994 -7.232 -14.682 1.00 0.00 H new ATOM 0 HB3 GLU A 137 6.216 -6.711 -15.824 1.00 0.00 H new ATOM 0 HG2 GLU A 137 7.150 -7.863 -13.209 1.00 0.00 H new ATOM 0 HG3 GLU A 137 6.454 -8.964 -14.382 1.00 0.00 H new TER 1884 GLU A 137