USER MOD reduce.3.24.130724 H: found=0, std=0, add=1043, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1045 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 51 SER OG : rot 75:sc= 0.891 USER MOD Set 1.2: A 84 THR OG1 : rot -171:sc= -2.17! USER MOD Set 2.1: A 50 ASN : amide:sc= -5.13! C(o=-5.1!,f=-6.8!) USER MOD Set 2.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 47 TYR OH : rot 17:sc= 0.956 USER MOD Set 3.2: A 79 HIS : no HD1:sc= 0.619 K(o=1.6,f=-4!) USER MOD Set 4.1: A 16 MET CE :methyl 140:sc= -8.61! (180deg=-4.31!) USER MOD Set 4.2: A 144 THR OG1 : rot 22:sc= -3.23! USER MOD Single : A 3 HIS :FLIP no HD1:sc= -0.0132 F(o=-1.3,f=-0.013) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -7:sc= 1.03 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0599 X(o=-0.06,f=-0.06) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 22 GLN :FLIP amide:sc= -1.96 F(o=-3.8,f=-2) USER MOD Single : A 24 ASN : amide:sc= -0.0471 X(o=-0.047,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl -168:sc= -7.4! (180deg=-8.3!) USER MOD Single : A 30 THR OG1 : rot 130:sc= -6.1! USER MOD Single : A 34 ASN : amide:sc= 0.166! C(o=0.17!,f=-4.3!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 45 GLN : amide:sc= -0.625 X(o=-0.62,f=-0.62) USER MOD Single : A 46 THR OG1 : rot 150:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0274 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -2 K(o=-2,f=-2.6!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -2.65! USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc=-0.000931 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0915 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot -43:sc= -2.18! USER MOD Single : A 85 THR OG1 : rot 126:sc= -4.37! USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 138:sc= 0.0229 USER MOD Single : A 90 GLN : amide:sc= -6.44! C(o=-6.4!,f=-7.3!) USER MOD Single : A 92 GLN : amide:sc= -5.69! C(o=-5.7!,f=-12!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 18:sc= 0.792 USER MOD Single : A 98 THR OG1 : rot -89:sc= 1.39 USER MOD Single : A 105 GLN : amide:sc= -6! C(o=-6!,f=-8.9!) USER MOD Single : A 106 THR OG1 : rot 38:sc= 0.788 USER MOD Single : A 110 ASN : amide:sc= -4.59! C(o=-4.6!,f=-6.4!) USER MOD Single : A 111 SER OG : rot 150:sc= -0.0459 USER MOD Single : A 112 ASN : amide:sc= -1.59 K(o=-1.6,f=-4.1!) USER MOD Single : A 117 HIS :FLIP no HE2:sc= -4.35! C(o=-7.4!,f=-4.4!) USER MOD Single : A 122 TYR OH : rot 1:sc= -4.86! USER MOD Single : A 123 ASN :FLIP amide:sc= -0.0185 F(o=-1.9!,f=-0.018) USER MOD Single : A 124 ASN :FLIP amide:sc= -4.16! C(o=-5.5!,f=-4.2!) USER MOD Single : A 125 HIS : no HD1:sc= -0.291 X(o=-0.29,f=-0.12) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= -2.92! USER MOD Single : A 131 THR OG1 : rot -150:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 138 ASN :FLIP amide:sc= -0.917 F(o=-1.5,f=-0.92) USER MOD Single : A 139 MET CE :methyl -174:sc= 0 (180deg=-0.0315) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 THR OG1 : rot 140:sc= 0.0947 USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 147 ASN :FLIP amide:sc= -3.37! C(o=-4.5!,f=-3.4!) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= -2.46! K(o=-2.5!,f=-3) USER MOD Single : A 153 LYS NZ :NH3+ -153:sc= -0.311 (180deg=-1.53!) USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 8.036 -2.213 18.166 1.00 0.00 N ATOM 32 CA HIS A 3 7.120 -3.205 17.614 1.00 0.00 C ATOM 33 C HIS A 3 5.675 -2.729 17.718 1.00 0.00 C ATOM 34 O HIS A 3 5.413 -1.583 18.080 1.00 0.00 O ATOM 35 CB HIS A 3 7.282 -4.542 18.340 1.00 0.00 C ATOM 36 CG HIS A 3 8.364 -5.405 17.773 1.00 0.00 C ATOM 37 ND1 HIS A 3 8.431 -6.748 17.609 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 9.557 -4.903 17.296 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 9.649 -7.028 17.041 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 10.309 -5.899 16.861 1.00 0.00 N flip ATOM 0 HA HIS A 3 7.364 -3.340 16.560 1.00 0.00 H new ATOM 0 HB2 HIS A 3 7.495 -4.351 19.392 1.00 0.00 H new ATOM 0 HB3 HIS A 3 6.337 -5.085 18.299 1.00 0.00 H new ATOM 0 HD2 HIS A 3 9.833 -3.859 17.280 1.00 0.00 H new ATOM 0 HE1 HIS A 3 10.009 -8.013 16.783 1.00 0.00 H new ATOM 0 HE2 HIS A 3 11.241 -5.810 16.455 1.00 0.00 H new ATOM 49 N CYS A 4 4.741 -3.618 17.395 1.00 0.00 N ATOM 50 CA CYS A 4 3.322 -3.288 17.452 1.00 0.00 C ATOM 51 C CYS A 4 2.474 -4.551 17.540 1.00 0.00 C ATOM 52 O CYS A 4 2.010 -5.072 16.525 1.00 0.00 O ATOM 53 CB CYS A 4 2.920 -2.471 16.224 1.00 0.00 C ATOM 54 SG CYS A 4 3.079 -0.671 16.448 1.00 0.00 S ATOM 0 H CYS A 4 4.941 -4.571 17.092 1.00 0.00 H new ATOM 0 HA CYS A 4 3.146 -2.693 18.348 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.536 -2.777 15.379 1.00 0.00 H new ATOM 0 HB3 CYS A 4 1.887 -2.705 15.967 1.00 0.00 H new ATOM 59 N VAL A 5 2.274 -5.038 18.760 1.00 0.00 N ATOM 60 CA VAL A 5 1.482 -6.241 18.984 1.00 0.00 C ATOM 61 C VAL A 5 0.043 -5.895 19.341 1.00 0.00 C ATOM 62 O VAL A 5 -0.209 -5.091 20.239 1.00 0.00 O ATOM 63 CB VAL A 5 2.091 -7.115 20.098 1.00 0.00 C ATOM 64 CG1 VAL A 5 1.409 -8.473 20.148 1.00 0.00 C ATOM 65 CG2 VAL A 5 3.590 -7.272 19.892 1.00 0.00 C ATOM 0 H VAL A 5 2.650 -4.617 19.610 1.00 0.00 H new ATOM 0 HA VAL A 5 1.490 -6.805 18.051 1.00 0.00 H new ATOM 0 HB VAL A 5 1.927 -6.618 21.054 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.854 -9.074 20.941 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.346 -8.339 20.347 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.538 -8.980 19.192 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.004 -7.892 20.687 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.777 -7.746 18.928 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.065 -6.291 19.912 1.00 0.00 H new ATOM 75 N THR A 6 -0.900 -6.507 18.629 1.00 0.00 N ATOM 76 CA THR A 6 -2.317 -6.257 18.875 1.00 0.00 C ATOM 77 C THR A 6 -3.047 -7.537 19.261 1.00 0.00 C ATOM 78 O THR A 6 -2.736 -8.618 18.757 1.00 0.00 O ATOM 79 CB THR A 6 -3.012 -5.632 17.648 1.00 0.00 C ATOM 80 OG1 THR A 6 -4.432 -5.646 17.831 1.00 0.00 O ATOM 81 CG2 THR A 6 -2.657 -6.378 16.370 1.00 0.00 C ATOM 0 H THR A 6 -0.710 -7.175 17.882 1.00 0.00 H new ATOM 0 HA THR A 6 -2.365 -5.550 19.703 1.00 0.00 H new ATOM 0 HB THR A 6 -2.662 -4.604 17.553 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.867 -5.246 17.049 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.163 -5.912 15.524 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.579 -6.340 16.214 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.974 -7.417 16.455 1.00 0.00 H new ATOM 89 N ASP A 7 -4.018 -7.400 20.163 1.00 0.00 N ATOM 90 CA ASP A 7 -4.804 -8.535 20.635 1.00 0.00 C ATOM 91 C ASP A 7 -5.101 -9.510 19.502 1.00 0.00 C ATOM 92 O ASP A 7 -5.246 -10.712 19.729 1.00 0.00 O ATOM 93 CB ASP A 7 -6.113 -8.048 21.260 1.00 0.00 C ATOM 94 CG ASP A 7 -5.941 -7.619 22.703 1.00 0.00 C ATOM 95 OD1 ASP A 7 -4.807 -7.713 23.219 1.00 0.00 O ATOM 96 OD2 ASP A 7 -6.940 -7.192 23.319 1.00 0.00 O ATOM 0 H ASP A 7 -4.279 -6.508 20.583 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.217 -9.058 21.390 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.500 -7.211 20.679 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.856 -8.844 21.207 1.00 0.00 H new ATOM 101 N SER A 8 -5.186 -8.990 18.283 1.00 0.00 N ATOM 102 CA SER A 8 -5.460 -9.824 17.119 1.00 0.00 C ATOM 103 C SER A 8 -4.464 -10.974 17.050 1.00 0.00 C ATOM 104 O SER A 8 -4.706 -11.985 16.392 1.00 0.00 O ATOM 105 CB SER A 8 -5.391 -8.992 15.838 1.00 0.00 C ATOM 106 OG SER A 8 -6.657 -8.444 15.515 1.00 0.00 O ATOM 0 H SER A 8 -5.070 -7.998 18.075 1.00 0.00 H new ATOM 0 HA SER A 8 -6.466 -10.233 17.215 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.665 -8.189 15.962 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.041 -9.615 15.015 1.00 0.00 H new ATOM 0 HG SER A 8 -6.585 -7.915 14.693 1.00 0.00 H new ATOM 112 N GLY A 9 -3.342 -10.806 17.739 1.00 0.00 N ATOM 113 CA GLY A 9 -2.316 -11.826 17.756 1.00 0.00 C ATOM 114 C GLY A 9 -1.148 -11.483 16.855 1.00 0.00 C ATOM 115 O GLY A 9 -0.383 -12.363 16.461 1.00 0.00 O ATOM 0 H GLY A 9 -3.125 -9.975 18.289 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.957 -11.960 18.777 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.747 -12.777 17.442 1.00 0.00 H new ATOM 119 N VAL A 10 -1.013 -10.202 16.519 1.00 0.00 N ATOM 120 CA VAL A 10 0.066 -9.760 15.652 1.00 0.00 C ATOM 121 C VAL A 10 1.128 -8.983 16.427 1.00 0.00 C ATOM 122 O VAL A 10 1.010 -8.783 17.634 1.00 0.00 O ATOM 123 CB VAL A 10 -0.480 -8.880 14.510 1.00 0.00 C ATOM 124 CG1 VAL A 10 -0.499 -7.415 14.911 1.00 0.00 C ATOM 125 CG2 VAL A 10 0.334 -9.085 13.241 1.00 0.00 C ATOM 0 H VAL A 10 -1.636 -9.459 16.834 1.00 0.00 H new ATOM 0 HA VAL A 10 0.529 -10.654 15.233 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.508 -9.183 14.310 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.889 -6.817 14.087 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.136 -7.286 15.786 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.514 -7.090 15.148 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.066 -8.456 12.446 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.374 -8.816 13.428 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.279 -10.131 12.938 1.00 0.00 H new ATOM 135 N VAL A 11 2.155 -8.542 15.708 1.00 0.00 N ATOM 136 CA VAL A 11 3.243 -7.777 16.293 1.00 0.00 C ATOM 137 C VAL A 11 4.115 -7.166 15.202 1.00 0.00 C ATOM 138 O VAL A 11 5.282 -7.525 15.041 1.00 0.00 O ATOM 139 CB VAL A 11 4.098 -8.653 17.218 1.00 0.00 C ATOM 140 CG1 VAL A 11 4.349 -10.010 16.587 1.00 0.00 C ATOM 141 CG2 VAL A 11 5.406 -7.960 17.569 1.00 0.00 C ATOM 0 H VAL A 11 2.254 -8.706 14.706 1.00 0.00 H new ATOM 0 HA VAL A 11 2.805 -6.975 16.887 1.00 0.00 H new ATOM 0 HB VAL A 11 3.547 -8.809 18.146 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.957 -10.617 17.258 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.397 -10.510 16.408 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.874 -9.880 15.640 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.993 -8.602 18.225 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.969 -7.762 16.657 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.194 -7.019 18.076 1.00 0.00 H new ATOM 151 N TYR A 12 3.527 -6.240 14.451 1.00 0.00 N ATOM 152 CA TYR A 12 4.224 -5.565 13.364 1.00 0.00 C ATOM 153 C TYR A 12 5.317 -4.645 13.897 1.00 0.00 C ATOM 154 O TYR A 12 5.165 -4.030 14.954 1.00 0.00 O ATOM 155 CB TYR A 12 3.224 -4.764 12.527 1.00 0.00 C ATOM 156 CG TYR A 12 2.015 -5.570 12.113 1.00 0.00 C ATOM 157 CD1 TYR A 12 2.086 -6.467 11.056 1.00 0.00 C ATOM 158 CD2 TYR A 12 0.806 -5.441 12.785 1.00 0.00 C ATOM 159 CE1 TYR A 12 0.985 -7.213 10.677 1.00 0.00 C ATOM 160 CE2 TYR A 12 -0.300 -6.183 12.414 1.00 0.00 C ATOM 161 CZ TYR A 12 -0.205 -7.067 11.359 1.00 0.00 C ATOM 162 OH TYR A 12 -1.304 -7.807 10.986 1.00 0.00 O ATOM 0 H TYR A 12 2.561 -5.939 14.578 1.00 0.00 H new ATOM 0 HA TYR A 12 4.697 -6.322 12.738 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.896 -3.895 13.098 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.725 -4.388 11.635 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.017 -6.584 10.521 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.729 -4.750 13.611 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.056 -7.906 9.852 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.233 -6.071 12.947 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.104 -8.296 10.160 1.00 0.00 H new ATOM 172 N SER A 13 6.419 -4.555 13.160 1.00 0.00 N ATOM 173 CA SER A 13 7.539 -3.709 13.558 1.00 0.00 C ATOM 174 C SER A 13 7.391 -2.305 12.982 1.00 0.00 C ATOM 175 O SER A 13 6.510 -2.048 12.161 1.00 0.00 O ATOM 176 CB SER A 13 8.860 -4.326 13.095 1.00 0.00 C ATOM 177 OG SER A 13 8.988 -4.260 11.686 1.00 0.00 O ATOM 0 H SER A 13 6.561 -5.057 12.284 1.00 0.00 H new ATOM 0 HA SER A 13 7.540 -3.638 14.646 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.693 -3.803 13.564 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.913 -5.365 13.420 1.00 0.00 H new ATOM 0 HG SER A 13 9.841 -4.659 11.416 1.00 0.00 H new ATOM 183 N VAL A 14 8.261 -1.400 13.416 1.00 0.00 N ATOM 184 CA VAL A 14 8.232 -0.020 12.946 1.00 0.00 C ATOM 185 C VAL A 14 8.267 0.041 11.425 1.00 0.00 C ATOM 186 O VAL A 14 8.473 -0.974 10.761 1.00 0.00 O ATOM 187 CB VAL A 14 9.413 0.787 13.512 1.00 0.00 C ATOM 188 CG1 VAL A 14 9.134 2.279 13.430 1.00 0.00 C ATOM 189 CG2 VAL A 14 9.691 0.368 14.945 1.00 0.00 C ATOM 0 H VAL A 14 8.997 -1.598 14.094 1.00 0.00 H new ATOM 0 HA VAL A 14 7.300 0.419 13.301 1.00 0.00 H new ATOM 0 HB VAL A 14 10.298 0.578 12.911 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.982 2.831 13.836 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.980 2.564 12.389 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.239 2.514 14.006 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.529 0.945 15.337 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.807 0.551 15.556 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.937 -0.693 14.972 1.00 0.00 H new ATOM 199 N GLY A 15 8.057 1.235 10.878 1.00 0.00 N ATOM 200 CA GLY A 15 8.061 1.397 9.438 1.00 0.00 C ATOM 201 C GLY A 15 7.437 0.207 8.739 1.00 0.00 C ATOM 202 O GLY A 15 7.823 -0.139 7.622 1.00 0.00 O ATOM 0 H GLY A 15 7.885 2.090 11.406 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.516 2.302 9.172 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.085 1.528 9.089 1.00 0.00 H new ATOM 206 N MET A 16 6.475 -0.425 9.405 1.00 0.00 N ATOM 207 CA MET A 16 5.800 -1.593 8.846 1.00 0.00 C ATOM 208 C MET A 16 4.305 -1.342 8.694 1.00 0.00 C ATOM 209 O MET A 16 3.599 -1.121 9.677 1.00 0.00 O ATOM 210 CB MET A 16 6.035 -2.816 9.733 1.00 0.00 C ATOM 211 CG MET A 16 5.871 -4.138 9.001 1.00 0.00 C ATOM 212 SD MET A 16 5.397 -5.486 10.100 1.00 0.00 S ATOM 213 CE MET A 16 6.472 -6.793 9.513 1.00 0.00 C ATOM 0 H MET A 16 6.146 -0.149 10.330 1.00 0.00 H new ATOM 0 HA MET A 16 6.218 -1.782 7.857 1.00 0.00 H new ATOM 0 HB2 MET A 16 7.040 -2.764 10.151 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.339 -2.786 10.572 1.00 0.00 H new ATOM 0 HG2 MET A 16 5.116 -4.027 8.223 1.00 0.00 H new ATOM 0 HG3 MET A 16 6.807 -4.392 8.504 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.853 -7.360 10.363 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.911 -7.458 8.856 1.00 0.00 H new ATOM 0 HE3 MET A 16 7.307 -6.358 8.963 1.00 0.00 H new ATOM 223 N GLN A 17 3.828 -1.380 7.453 1.00 0.00 N ATOM 224 CA GLN A 17 2.415 -1.157 7.169 1.00 0.00 C ATOM 225 C GLN A 17 1.654 -2.477 7.120 1.00 0.00 C ATOM 226 O GLN A 17 2.254 -3.548 7.023 1.00 0.00 O ATOM 227 CB GLN A 17 2.249 -0.411 5.842 1.00 0.00 C ATOM 228 CG GLN A 17 3.404 0.520 5.512 1.00 0.00 C ATOM 229 CD GLN A 17 3.413 0.944 4.057 1.00 0.00 C ATOM 230 OE1 GLN A 17 2.637 1.806 3.645 1.00 0.00 O ATOM 231 NE2 GLN A 17 4.296 0.340 3.270 1.00 0.00 N ATOM 0 H GLN A 17 4.400 -1.563 6.628 1.00 0.00 H new ATOM 0 HA GLN A 17 2.002 -0.549 7.974 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.140 -1.139 5.038 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.326 0.168 5.875 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.344 1.406 6.144 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.345 0.023 5.748 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.920 -0.369 3.654 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.350 0.585 2.281 1.00 0.00 H new ATOM 240 N TRP A 18 0.329 -2.393 7.184 1.00 0.00 N ATOM 241 CA TRP A 18 -0.516 -3.581 7.143 1.00 0.00 C ATOM 242 C TRP A 18 -1.988 -3.210 7.287 1.00 0.00 C ATOM 243 O TRP A 18 -2.398 -2.636 8.297 1.00 0.00 O ATOM 244 CB TRP A 18 -0.108 -4.562 8.245 1.00 0.00 C ATOM 245 CG TRP A 18 -0.753 -4.281 9.569 1.00 0.00 C ATOM 246 CD1 TRP A 18 -1.953 -4.759 10.013 1.00 0.00 C ATOM 247 CD2 TRP A 18 -0.234 -3.460 10.620 1.00 0.00 C ATOM 248 NE1 TRP A 18 -2.211 -4.285 11.277 1.00 0.00 N ATOM 249 CE2 TRP A 18 -1.170 -3.485 11.671 1.00 0.00 C ATOM 250 CE3 TRP A 18 0.933 -2.705 10.776 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -0.975 -2.786 12.860 1.00 0.00 C ATOM 252 CZ3 TRP A 18 1.125 -2.012 11.956 1.00 0.00 C ATOM 253 CH2 TRP A 18 0.176 -2.058 12.985 1.00 0.00 C ATOM 0 H TRP A 18 -0.183 -1.514 7.264 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.379 -4.061 6.174 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.366 -5.574 7.932 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.975 -4.531 8.364 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -2.604 -5.414 9.453 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.041 -4.494 11.831 1.00 0.00 H new ATOM 0 HE3 TRP A 18 1.671 -2.664 9.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.706 -2.818 13.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.022 -1.425 12.087 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.357 -1.507 13.896 1.00 0.00 H new ATOM 264 N LEU A 19 -2.777 -3.541 6.270 1.00 0.00 N ATOM 265 CA LEU A 19 -4.204 -3.243 6.280 1.00 0.00 C ATOM 266 C LEU A 19 -4.925 -4.060 7.346 1.00 0.00 C ATOM 267 O LEU A 19 -4.636 -5.241 7.539 1.00 0.00 O ATOM 268 CB LEU A 19 -4.813 -3.526 4.904 1.00 0.00 C ATOM 269 CG LEU A 19 -6.325 -3.306 4.807 1.00 0.00 C ATOM 270 CD1 LEU A 19 -7.071 -4.396 5.562 1.00 0.00 C ATOM 271 CD2 LEU A 19 -6.699 -1.932 5.341 1.00 0.00 C ATOM 0 H LEU A 19 -2.452 -4.016 5.428 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.328 -2.186 6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.321 -2.890 4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.593 -4.558 4.632 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.615 -3.356 3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.144 -4.224 5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.826 -5.368 5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.777 -4.378 6.612 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.777 -1.793 5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.396 -1.853 6.385 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.192 -1.164 4.757 1.00 0.00 H new ATOM 283 N LYS A 20 -5.867 -3.424 8.036 1.00 0.00 N ATOM 284 CA LYS A 20 -6.631 -4.092 9.083 1.00 0.00 C ATOM 285 C LYS A 20 -8.086 -3.636 9.069 1.00 0.00 C ATOM 286 O LYS A 20 -8.394 -2.524 8.642 1.00 0.00 O ATOM 287 CB LYS A 20 -6.010 -3.814 10.453 1.00 0.00 C ATOM 288 CG LYS A 20 -5.186 -2.537 10.500 1.00 0.00 C ATOM 289 CD LYS A 20 -5.359 -1.811 11.824 1.00 0.00 C ATOM 290 CE LYS A 20 -5.386 -2.782 12.993 1.00 0.00 C ATOM 291 NZ LYS A 20 -5.195 -2.088 14.297 1.00 0.00 N ATOM 0 H LYS A 20 -6.119 -2.447 7.888 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.603 -5.165 8.891 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.804 -3.751 11.197 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.377 -4.656 10.733 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.133 -2.776 10.350 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.483 -1.881 9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.544 -1.100 11.959 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.285 -1.236 11.806 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.337 -3.314 13.001 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.604 -3.530 12.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.220 -2.785 15.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.276 -1.601 14.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.956 -1.392 14.435 1.00 0.00 H new ATOM 305 N THR A 21 -8.977 -4.503 9.539 1.00 0.00 N ATOM 306 CA THR A 21 -10.400 -4.189 9.580 1.00 0.00 C ATOM 307 C THR A 21 -10.715 -3.214 10.709 1.00 0.00 C ATOM 308 O THR A 21 -10.616 -3.559 11.886 1.00 0.00 O ATOM 309 CB THR A 21 -11.250 -5.460 9.763 1.00 0.00 C ATOM 310 OG1 THR A 21 -10.399 -6.605 9.899 1.00 0.00 O ATOM 311 CG2 THR A 21 -12.188 -5.657 8.582 1.00 0.00 C ATOM 0 H THR A 21 -8.739 -5.428 9.897 1.00 0.00 H new ATOM 0 HA THR A 21 -10.650 -3.728 8.625 1.00 0.00 H new ATOM 0 HB THR A 21 -11.848 -5.343 10.667 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.948 -7.408 10.017 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.778 -6.561 8.733 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.854 -4.798 8.499 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.605 -5.754 7.666 1.00 0.00 H new ATOM 319 N GLN A 22 -11.096 -1.994 10.341 1.00 0.00 N ATOM 320 CA GLN A 22 -11.427 -0.969 11.324 1.00 0.00 C ATOM 321 C GLN A 22 -12.937 -0.779 11.423 1.00 0.00 C ATOM 322 O GLN A 22 -13.458 0.298 11.132 1.00 0.00 O ATOM 323 CB GLN A 22 -10.757 0.356 10.953 1.00 0.00 C ATOM 324 CG GLN A 22 -10.472 1.248 12.151 1.00 0.00 C ATOM 325 CD GLN A 22 -11.704 1.500 12.998 1.00 0.00 C ATOM 326 OE1 GLN A 22 -12.075 0.518 13.810 1.00 0.00 O flip ATOM 327 NE2 GLN A 22 -12.315 2.566 12.923 1.00 0.00 N flip ATOM 0 H GLN A 22 -11.183 -1.692 9.371 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.056 -1.297 12.295 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.821 0.148 10.434 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.397 0.894 10.253 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.700 0.786 12.767 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.074 2.201 11.803 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.994 3.294 12.285 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.142 2.721 13.499 1.00 0.00 H new ATOM 336 N GLY A 23 -13.634 -1.832 11.836 1.00 0.00 N ATOM 337 CA GLY A 23 -15.078 -1.760 11.966 1.00 0.00 C ATOM 338 C GLY A 23 -15.798 -2.351 10.771 1.00 0.00 C ATOM 339 O GLY A 23 -16.173 -3.523 10.780 1.00 0.00 O ATOM 0 H GLY A 23 -13.226 -2.733 12.083 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.385 -2.288 12.869 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -15.377 -0.719 12.088 1.00 0.00 H new ATOM 343 N ASN A 24 -15.991 -1.537 9.738 1.00 0.00 N ATOM 344 CA ASN A 24 -16.670 -1.985 8.528 1.00 0.00 C ATOM 345 C ASN A 24 -16.003 -1.407 7.285 1.00 0.00 C ATOM 346 O ASN A 24 -16.677 -0.951 6.361 1.00 0.00 O ATOM 347 CB ASN A 24 -18.145 -1.579 8.566 1.00 0.00 C ATOM 348 CG ASN A 24 -19.025 -2.652 9.172 1.00 0.00 C ATOM 349 OD1 ASN A 24 -19.626 -2.455 10.229 1.00 0.00 O ATOM 350 ND2 ASN A 24 -19.106 -3.799 8.506 1.00 0.00 N ATOM 0 H ASN A 24 -15.687 -0.564 9.715 1.00 0.00 H new ATOM 0 HA ASN A 24 -16.601 -3.072 8.483 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -18.251 -0.659 9.141 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -18.486 -1.363 7.553 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -19.683 -4.559 8.867 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -18.591 -3.920 7.634 1.00 0.00 H new ATOM 357 N LYS A 25 -14.674 -1.429 7.268 1.00 0.00 N ATOM 358 CA LYS A 25 -13.916 -0.906 6.136 1.00 0.00 C ATOM 359 C LYS A 25 -12.465 -1.375 6.192 1.00 0.00 C ATOM 360 O LYS A 25 -12.107 -2.223 7.008 1.00 0.00 O ATOM 361 CB LYS A 25 -13.970 0.623 6.122 1.00 0.00 C ATOM 362 CG LYS A 25 -12.924 1.276 7.010 1.00 0.00 C ATOM 363 CD LYS A 25 -12.867 2.779 6.788 1.00 0.00 C ATOM 364 CE LYS A 25 -13.789 3.519 7.743 1.00 0.00 C ATOM 365 NZ LYS A 25 -13.869 4.971 7.426 1.00 0.00 N ATOM 0 H LYS A 25 -14.100 -1.803 8.024 1.00 0.00 H new ATOM 0 HA LYS A 25 -14.368 -1.286 5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.836 0.974 5.099 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.960 0.946 6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.152 1.070 8.056 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.947 0.839 6.805 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.844 3.129 6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.148 3.007 5.760 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.786 3.082 7.696 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.432 3.390 8.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.508 5.439 8.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.922 5.394 7.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.234 5.096 6.460 1.00 0.00 H new ATOM 379 N GLN A 26 -11.635 -0.815 5.316 1.00 0.00 N ATOM 380 CA GLN A 26 -10.223 -1.176 5.266 1.00 0.00 C ATOM 381 C GLN A 26 -9.341 0.044 5.513 1.00 0.00 C ATOM 382 O GLN A 26 -9.457 1.057 4.823 1.00 0.00 O ATOM 383 CB GLN A 26 -9.882 -1.798 3.910 1.00 0.00 C ATOM 384 CG GLN A 26 -9.572 -0.773 2.831 1.00 0.00 C ATOM 385 CD GLN A 26 -9.365 -1.405 1.468 1.00 0.00 C ATOM 386 OE1 GLN A 26 -10.268 -2.035 0.919 1.00 0.00 O ATOM 387 NE2 GLN A 26 -8.168 -1.240 0.916 1.00 0.00 N ATOM 0 H GLN A 26 -11.916 -0.111 4.633 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.032 -1.906 6.052 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.024 -2.459 4.029 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.718 -2.416 3.583 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.389 -0.053 2.773 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.677 -0.217 3.109 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.448 -0.710 1.407 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.968 -1.644 0.001 1.00 0.00 H new ATOM 396 N MET A 27 -8.462 -0.059 6.505 1.00 0.00 N ATOM 397 CA MET A 27 -7.561 1.036 6.844 1.00 0.00 C ATOM 398 C MET A 27 -6.111 0.562 6.864 1.00 0.00 C ATOM 399 O MET A 27 -5.816 -0.542 7.319 1.00 0.00 O ATOM 400 CB MET A 27 -7.934 1.628 8.204 1.00 0.00 C ATOM 401 CG MET A 27 -9.183 2.493 8.169 1.00 0.00 C ATOM 402 SD MET A 27 -9.037 3.878 7.024 1.00 0.00 S ATOM 403 CE MET A 27 -7.869 4.918 7.898 1.00 0.00 C ATOM 0 H MET A 27 -8.355 -0.889 7.088 1.00 0.00 H new ATOM 0 HA MET A 27 -7.662 1.806 6.079 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.084 0.816 8.915 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.099 2.224 8.573 1.00 0.00 H new ATOM 0 HG2 MET A 27 -10.037 1.879 7.884 1.00 0.00 H new ATOM 0 HG3 MET A 27 -9.385 2.874 9.170 1.00 0.00 H new ATOM 0 HE1 MET A 27 -7.837 5.902 7.430 1.00 0.00 H new ATOM 0 HE2 MET A 27 -8.180 5.021 8.938 1.00 0.00 H new ATOM 0 HE3 MET A 27 -6.878 4.465 7.859 1.00 0.00 H new ATOM 413 N LEU A 28 -5.211 1.406 6.371 1.00 0.00 N ATOM 414 CA LEU A 28 -3.792 1.073 6.334 1.00 0.00 C ATOM 415 C LEU A 28 -3.100 1.505 7.623 1.00 0.00 C ATOM 416 O LEU A 28 -2.893 2.695 7.860 1.00 0.00 O ATOM 417 CB LEU A 28 -3.120 1.742 5.133 1.00 0.00 C ATOM 418 CG LEU A 28 -3.602 1.250 3.766 1.00 0.00 C ATOM 419 CD1 LEU A 28 -3.511 2.366 2.736 1.00 0.00 C ATOM 420 CD2 LEU A 28 -2.794 0.041 3.320 1.00 0.00 C ATOM 0 H LEU A 28 -5.439 2.325 5.992 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.700 -0.009 6.237 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.287 2.817 5.195 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.044 1.582 5.202 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.646 0.950 3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.858 1.999 1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.134 3.203 3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.476 2.697 2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.150 -0.296 2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.741 0.314 3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.911 -0.763 4.047 1.00 0.00 H new ATOM 432 N CYS A 29 -2.747 0.530 8.454 1.00 0.00 N ATOM 433 CA CYS A 29 -2.080 0.810 9.720 1.00 0.00 C ATOM 434 C CYS A 29 -0.613 0.396 9.669 1.00 0.00 C ATOM 435 O CYS A 29 -0.294 -0.768 9.427 1.00 0.00 O ATOM 436 CB CYS A 29 -2.787 0.082 10.864 1.00 0.00 C ATOM 437 SG CYS A 29 -3.567 1.191 12.083 1.00 0.00 S ATOM 0 H CYS A 29 -2.912 -0.460 8.274 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.128 1.885 9.896 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.550 -0.575 10.446 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.065 -0.554 11.377 1.00 0.00 H new ATOM 442 N THR A 30 0.275 1.358 9.899 1.00 0.00 N ATOM 443 CA THR A 30 1.709 1.093 9.881 1.00 0.00 C ATOM 444 C THR A 30 2.360 1.510 11.193 1.00 0.00 C ATOM 445 O THR A 30 2.158 2.627 11.669 1.00 0.00 O ATOM 446 CB THR A 30 2.407 1.838 8.728 1.00 0.00 C ATOM 447 OG1 THR A 30 1.737 1.570 7.492 1.00 0.00 O ATOM 448 CG2 THR A 30 3.867 1.427 8.621 1.00 0.00 C ATOM 0 H THR A 30 0.027 2.327 10.100 1.00 0.00 H new ATOM 0 HA THR A 30 1.826 0.019 9.738 1.00 0.00 H new ATOM 0 HB THR A 30 2.363 2.907 8.938 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.550 2.415 7.031 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.338 1.967 7.799 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.381 1.664 9.553 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.930 0.355 8.434 1.00 0.00 H new ATOM 456 N CYS A 31 3.147 0.610 11.769 1.00 0.00 N ATOM 457 CA CYS A 31 3.834 0.894 13.020 1.00 0.00 C ATOM 458 C CYS A 31 5.032 1.802 12.774 1.00 0.00 C ATOM 459 O CYS A 31 5.953 1.440 12.044 1.00 0.00 O ATOM 460 CB CYS A 31 4.292 -0.404 13.686 1.00 0.00 C ATOM 461 SG CYS A 31 4.773 -0.211 15.431 1.00 0.00 S ATOM 0 H CYS A 31 3.324 -0.320 11.390 1.00 0.00 H new ATOM 0 HA CYS A 31 3.137 1.403 13.685 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.488 -1.137 13.620 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.138 -0.807 13.129 1.00 0.00 H new ATOM 466 N LEU A 32 5.009 2.983 13.383 1.00 0.00 N ATOM 467 CA LEU A 32 6.093 3.945 13.225 1.00 0.00 C ATOM 468 C LEU A 32 6.654 4.360 14.581 1.00 0.00 C ATOM 469 O LEU A 32 6.091 4.030 15.625 1.00 0.00 O ATOM 470 CB LEU A 32 5.602 5.177 12.463 1.00 0.00 C ATOM 471 CG LEU A 32 5.309 4.946 10.979 1.00 0.00 C ATOM 472 CD1 LEU A 32 4.141 5.809 10.526 1.00 0.00 C ATOM 473 CD2 LEU A 32 6.545 5.233 10.141 1.00 0.00 C ATOM 0 H LEU A 32 4.252 3.297 13.990 1.00 0.00 H new ATOM 0 HA LEU A 32 6.889 3.467 12.654 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.696 5.545 12.944 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.352 5.963 12.552 1.00 0.00 H new ATOM 0 HG LEU A 32 5.036 3.900 10.840 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.947 5.632 9.468 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.254 5.554 11.106 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.385 6.860 10.679 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.318 5.064 9.088 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.849 6.270 10.284 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.355 4.572 10.449 1.00 0.00 H new ATOM 485 N GLY A 33 7.766 5.087 14.558 1.00 0.00 N ATOM 486 CA GLY A 33 8.383 5.536 15.792 1.00 0.00 C ATOM 487 C GLY A 33 7.366 6.010 16.810 1.00 0.00 C ATOM 488 O GLY A 33 7.612 5.956 18.016 1.00 0.00 O ATOM 0 H GLY A 33 8.251 5.373 13.707 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.968 4.721 16.219 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.078 6.347 15.573 1.00 0.00 H new ATOM 492 N ASN A 34 6.220 6.479 16.326 1.00 0.00 N ATOM 493 CA ASN A 34 5.161 6.966 17.202 1.00 0.00 C ATOM 494 C ASN A 34 4.215 5.835 17.592 1.00 0.00 C ATOM 495 O ASN A 34 3.672 5.821 18.697 1.00 0.00 O ATOM 496 CB ASN A 34 4.379 8.087 16.516 1.00 0.00 C ATOM 497 CG ASN A 34 5.197 8.799 15.458 1.00 0.00 C ATOM 498 OD1 ASN A 34 5.692 8.178 14.517 1.00 0.00 O ATOM 499 ND2 ASN A 34 5.344 10.112 15.606 1.00 0.00 N ATOM 0 H ASN A 34 6.001 6.532 15.331 1.00 0.00 H new ATOM 0 HA ASN A 34 5.624 7.357 18.108 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.481 7.672 16.059 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.052 8.808 17.265 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.884 10.645 14.924 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.916 10.587 16.401 1.00 0.00 H new ATOM 506 N GLY A 35 4.023 4.889 16.679 1.00 0.00 N ATOM 507 CA GLY A 35 3.143 3.767 16.947 1.00 0.00 C ATOM 508 C GLY A 35 2.207 3.475 15.790 1.00 0.00 C ATOM 509 O GLY A 35 2.258 4.142 14.758 1.00 0.00 O ATOM 0 H GLY A 35 4.461 4.879 15.758 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.742 2.881 17.158 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.556 3.975 17.842 1.00 0.00 H new ATOM 513 N VAL A 36 1.348 2.475 15.964 1.00 0.00 N ATOM 514 CA VAL A 36 0.397 2.094 14.928 1.00 0.00 C ATOM 515 C VAL A 36 -0.310 3.318 14.355 1.00 0.00 C ATOM 516 O VAL A 36 -1.006 4.038 15.071 1.00 0.00 O ATOM 517 CB VAL A 36 -0.660 1.112 15.468 1.00 0.00 C ATOM 518 CG1 VAL A 36 -1.785 0.929 14.461 1.00 0.00 C ATOM 519 CG2 VAL A 36 -0.020 -0.225 15.812 1.00 0.00 C ATOM 0 H VAL A 36 1.292 1.914 16.814 1.00 0.00 H new ATOM 0 HA VAL A 36 0.968 1.604 14.140 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.085 1.531 16.380 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.521 0.232 14.861 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.262 1.890 14.269 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.379 0.533 13.530 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.782 -0.906 16.192 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.435 -0.652 14.918 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.746 -0.077 16.573 1.00 0.00 H new ATOM 529 N SER A 37 -0.126 3.549 13.059 1.00 0.00 N ATOM 530 CA SER A 37 -0.748 4.685 12.388 1.00 0.00 C ATOM 531 C SER A 37 -1.640 4.218 11.242 1.00 0.00 C ATOM 532 O SER A 37 -1.154 3.705 10.234 1.00 0.00 O ATOM 533 CB SER A 37 0.323 5.641 11.860 1.00 0.00 C ATOM 534 OG SER A 37 -0.250 6.862 11.427 1.00 0.00 O ATOM 0 H SER A 37 0.449 2.964 12.452 1.00 0.00 H new ATOM 0 HA SER A 37 -1.367 5.211 13.115 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.057 5.837 12.642 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.856 5.173 11.033 1.00 0.00 H new ATOM 0 HG SER A 37 0.456 7.456 11.096 1.00 0.00 H new ATOM 540 N CYS A 38 -2.946 4.399 11.403 1.00 0.00 N ATOM 541 CA CYS A 38 -3.906 3.996 10.382 1.00 0.00 C ATOM 542 C CYS A 38 -4.197 5.144 9.422 1.00 0.00 C ATOM 543 O CYS A 38 -4.297 6.300 9.832 1.00 0.00 O ATOM 544 CB CYS A 38 -5.205 3.518 11.033 1.00 0.00 C ATOM 545 SG CYS A 38 -5.325 1.709 11.213 1.00 0.00 S ATOM 0 H CYS A 38 -3.364 4.822 12.231 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.469 3.175 9.814 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.296 3.977 12.017 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.048 3.870 10.438 1.00 0.00 H new ATOM 550 N GLN A 39 -4.331 4.815 8.141 1.00 0.00 N ATOM 551 CA GLN A 39 -4.612 5.817 7.119 1.00 0.00 C ATOM 552 C GLN A 39 -5.316 5.188 5.922 1.00 0.00 C ATOM 553 O GLN A 39 -4.767 4.312 5.255 1.00 0.00 O ATOM 554 CB GLN A 39 -3.315 6.491 6.666 1.00 0.00 C ATOM 555 CG GLN A 39 -3.521 7.545 5.590 1.00 0.00 C ATOM 556 CD GLN A 39 -2.214 8.114 5.074 1.00 0.00 C ATOM 557 OE1 GLN A 39 -1.336 8.489 5.850 1.00 0.00 O ATOM 558 NE2 GLN A 39 -2.079 8.181 3.754 1.00 0.00 N ATOM 0 H GLN A 39 -4.250 3.862 7.786 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.272 6.569 7.553 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.835 6.953 7.529 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.631 5.729 6.291 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.076 7.108 4.760 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.132 8.354 5.991 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.833 7.859 3.147 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.221 8.555 3.347 1.00 0.00 H new ATOM 567 N GLU A 40 -6.537 5.641 5.655 1.00 0.00 N ATOM 568 CA GLU A 40 -7.318 5.122 4.539 1.00 0.00 C ATOM 569 C GLU A 40 -6.419 4.808 3.347 1.00 0.00 C ATOM 570 O GLU A 40 -5.347 5.392 3.193 1.00 0.00 O ATOM 571 CB GLU A 40 -8.394 6.129 4.129 1.00 0.00 C ATOM 572 CG GLU A 40 -8.993 6.892 5.299 1.00 0.00 C ATOM 573 CD GLU A 40 -10.208 7.709 4.901 1.00 0.00 C ATOM 574 OE1 GLU A 40 -10.309 8.083 3.714 1.00 0.00 O ATOM 575 OE2 GLU A 40 -11.058 7.972 5.778 1.00 0.00 O ATOM 0 H GLU A 40 -7.007 6.367 6.197 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.799 4.199 4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.964 6.841 3.424 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.191 5.603 3.604 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.274 6.188 6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.237 7.554 5.722 1.00 0.00 H new ATOM 636 N GLN A 45 -3.943 9.677 -8.217 1.00 0.00 N ATOM 637 CA GLN A 45 -3.756 10.953 -8.896 1.00 0.00 C ATOM 638 C GLN A 45 -4.813 11.154 -9.979 1.00 0.00 C ATOM 639 O GLN A 45 -4.495 11.222 -11.165 1.00 0.00 O ATOM 640 CB GLN A 45 -2.358 11.026 -9.513 1.00 0.00 C ATOM 641 CG GLN A 45 -1.882 12.445 -9.777 1.00 0.00 C ATOM 642 CD GLN A 45 -2.300 13.413 -8.687 1.00 0.00 C ATOM 643 OE1 GLN A 45 -3.084 14.332 -8.926 1.00 0.00 O ATOM 644 NE2 GLN A 45 -1.779 13.210 -7.484 1.00 0.00 N ATOM 0 HA GLN A 45 -3.862 11.748 -8.158 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.650 10.532 -8.847 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.354 10.470 -10.451 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.796 12.449 -9.865 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.280 12.786 -10.733 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.133 12.435 -7.332 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.024 13.829 -6.711 1.00 0.00 H new ATOM 653 N THR A 46 -6.070 11.248 -9.559 1.00 0.00 N ATOM 654 CA THR A 46 -7.174 11.441 -10.492 1.00 0.00 C ATOM 655 C THR A 46 -6.763 12.342 -11.651 1.00 0.00 C ATOM 656 O THR A 46 -6.451 13.517 -11.456 1.00 0.00 O ATOM 657 CB THR A 46 -8.401 12.053 -9.792 1.00 0.00 C ATOM 658 OG1 THR A 46 -7.979 12.952 -8.759 1.00 0.00 O ATOM 659 CG2 THR A 46 -9.283 10.967 -9.196 1.00 0.00 C ATOM 0 H THR A 46 -6.350 11.194 -8.580 1.00 0.00 H new ATOM 0 HA THR A 46 -7.438 10.456 -10.877 1.00 0.00 H new ATOM 0 HB THR A 46 -8.979 12.601 -10.536 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.645 13.663 -8.652 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.143 11.424 -8.707 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.627 10.302 -9.988 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.712 10.395 -8.465 1.00 0.00 H new ATOM 667 N TYR A 47 -6.763 11.784 -12.858 1.00 0.00 N ATOM 668 CA TYR A 47 -6.390 12.539 -14.048 1.00 0.00 C ATOM 669 C TYR A 47 -7.355 12.257 -15.195 1.00 0.00 C ATOM 670 O TYR A 47 -8.038 11.232 -15.208 1.00 0.00 O ATOM 671 CB TYR A 47 -4.961 12.191 -14.471 1.00 0.00 C ATOM 672 CG TYR A 47 -4.771 10.733 -14.825 1.00 0.00 C ATOM 673 CD1 TYR A 47 -5.223 10.229 -16.037 1.00 0.00 C ATOM 674 CD2 TYR A 47 -4.138 9.863 -13.946 1.00 0.00 C ATOM 675 CE1 TYR A 47 -5.050 8.896 -16.364 1.00 0.00 C ATOM 676 CE2 TYR A 47 -3.961 8.531 -14.266 1.00 0.00 C ATOM 677 CZ TYR A 47 -4.419 8.053 -15.476 1.00 0.00 C ATOM 678 OH TYR A 47 -4.245 6.726 -15.797 1.00 0.00 O ATOM 0 H TYR A 47 -7.017 10.812 -13.037 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.442 13.601 -13.806 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -4.686 12.803 -15.330 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.278 12.452 -13.662 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.717 10.888 -16.735 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.779 10.234 -12.998 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.408 8.518 -17.310 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.467 7.867 -13.572 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.375 6.603 -16.760 1.00 0.00 H new ATOM 688 N GLY A 48 -7.407 13.173 -16.156 1.00 0.00 N ATOM 689 CA GLY A 48 -8.291 13.005 -17.295 1.00 0.00 C ATOM 690 C GLY A 48 -9.652 12.471 -16.897 1.00 0.00 C ATOM 691 O GLY A 48 -9.985 12.421 -15.712 1.00 0.00 O ATOM 0 H GLY A 48 -6.853 14.029 -16.167 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.413 13.963 -17.801 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.831 12.323 -18.011 1.00 0.00 H new ATOM 695 N GLY A 49 -10.442 12.072 -17.888 1.00 0.00 N ATOM 696 CA GLY A 49 -11.766 11.543 -17.615 1.00 0.00 C ATOM 697 C GLY A 49 -12.869 12.481 -18.062 1.00 0.00 C ATOM 698 O GLY A 49 -12.649 13.354 -18.903 1.00 0.00 O ATOM 0 H GLY A 49 -10.189 12.105 -18.876 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.882 10.584 -18.120 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.865 11.354 -16.546 1.00 0.00 H new ATOM 702 N ASN A 50 -14.059 12.302 -17.499 1.00 0.00 N ATOM 703 CA ASN A 50 -15.203 13.139 -17.845 1.00 0.00 C ATOM 704 C ASN A 50 -15.271 14.366 -16.942 1.00 0.00 C ATOM 705 O ASN A 50 -16.343 14.928 -16.722 1.00 0.00 O ATOM 706 CB ASN A 50 -16.500 12.337 -17.735 1.00 0.00 C ATOM 707 CG ASN A 50 -17.113 12.039 -19.088 1.00 0.00 C ATOM 708 OD1 ASN A 50 -16.621 12.496 -20.120 1.00 0.00 O ATOM 709 ND2 ASN A 50 -18.195 11.269 -19.092 1.00 0.00 N ATOM 0 H ASN A 50 -14.257 11.585 -16.801 1.00 0.00 H new ATOM 0 HA ASN A 50 -15.079 13.474 -18.875 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -16.301 11.400 -17.215 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -17.216 12.892 -17.129 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -18.651 11.035 -19.974 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -18.570 10.911 -18.213 1.00 0.00 H new ATOM 716 N SER A 51 -14.119 14.777 -16.422 1.00 0.00 N ATOM 717 CA SER A 51 -14.048 15.939 -15.545 1.00 0.00 C ATOM 718 C SER A 51 -12.642 16.527 -15.540 1.00 0.00 C ATOM 719 O SER A 51 -12.250 17.219 -14.601 1.00 0.00 O ATOM 720 CB SER A 51 -14.456 15.554 -14.121 1.00 0.00 C ATOM 721 OG SER A 51 -15.330 14.439 -14.124 1.00 0.00 O ATOM 0 H SER A 51 -13.222 14.322 -16.593 1.00 0.00 H new ATOM 0 HA SER A 51 -14.739 16.693 -15.923 1.00 0.00 H new ATOM 0 HB2 SER A 51 -13.567 15.321 -13.535 1.00 0.00 H new ATOM 0 HB3 SER A 51 -14.944 16.401 -13.638 1.00 0.00 H new ATOM 0 HG SER A 51 -14.819 13.623 -14.307 1.00 0.00 H new ATOM 727 N ASN A 52 -11.887 16.246 -16.599 1.00 0.00 N ATOM 728 CA ASN A 52 -10.522 16.746 -16.723 1.00 0.00 C ATOM 729 C ASN A 52 -9.571 15.964 -15.822 1.00 0.00 C ATOM 730 O ASN A 52 -8.561 15.432 -16.282 1.00 0.00 O ATOM 731 CB ASN A 52 -10.468 18.234 -16.374 1.00 0.00 C ATOM 732 CG ASN A 52 -9.126 18.857 -16.707 1.00 0.00 C ATOM 733 OD1 ASN A 52 -8.860 19.209 -17.855 1.00 0.00 O ATOM 734 ND2 ASN A 52 -8.273 18.996 -15.698 1.00 0.00 N ATOM 0 H ASN A 52 -12.198 15.674 -17.384 1.00 0.00 H new ATOM 0 HA ASN A 52 -10.205 16.611 -17.757 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -11.254 18.760 -16.915 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.672 18.363 -15.311 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.355 19.409 -15.860 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.537 18.690 -14.761 1.00 0.00 H new ATOM 741 N GLY A 53 -9.900 15.900 -14.536 1.00 0.00 N ATOM 742 CA GLY A 53 -9.064 15.182 -13.592 1.00 0.00 C ATOM 743 C GLY A 53 -9.272 15.648 -12.163 1.00 0.00 C ATOM 744 O GLY A 53 -8.323 15.723 -11.384 1.00 0.00 O ATOM 0 H GLY A 53 -10.730 16.332 -14.131 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.279 14.116 -13.658 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.017 15.313 -13.865 1.00 0.00 H new ATOM 748 N GLU A 54 -10.518 15.960 -11.820 1.00 0.00 N ATOM 749 CA GLU A 54 -10.848 16.420 -10.476 1.00 0.00 C ATOM 750 C GLU A 54 -10.964 15.243 -9.513 1.00 0.00 C ATOM 751 O GLU A 54 -10.932 14.083 -9.925 1.00 0.00 O ATOM 752 CB GLU A 54 -12.156 17.211 -10.493 1.00 0.00 C ATOM 753 CG GLU A 54 -11.972 18.696 -10.226 1.00 0.00 C ATOM 754 CD GLU A 54 -13.268 19.385 -9.843 1.00 0.00 C ATOM 755 OE1 GLU A 54 -14.284 19.165 -10.536 1.00 0.00 O ATOM 756 OE2 GLU A 54 -13.265 20.144 -8.851 1.00 0.00 O ATOM 0 H GLU A 54 -11.315 15.903 -12.454 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.043 17.070 -10.132 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.637 17.081 -11.463 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.831 16.797 -9.744 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.244 18.830 -9.426 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.560 19.173 -11.115 1.00 0.00 H new ATOM 763 N PRO A 55 -11.102 15.531 -8.209 1.00 0.00 N ATOM 764 CA PRO A 55 -11.225 14.496 -7.178 1.00 0.00 C ATOM 765 C PRO A 55 -12.520 13.701 -7.311 1.00 0.00 C ATOM 766 O PRO A 55 -13.564 14.250 -7.660 1.00 0.00 O ATOM 767 CB PRO A 55 -11.215 15.288 -5.868 1.00 0.00 C ATOM 768 CG PRO A 55 -11.660 16.659 -6.247 1.00 0.00 C ATOM 769 CD PRO A 55 -11.149 16.889 -7.641 1.00 0.00 C ATOM 0 HA PRO A 55 -10.427 13.757 -7.247 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.886 14.844 -5.132 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.220 15.304 -5.423 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.746 16.741 -6.211 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.262 17.403 -5.557 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -11.811 17.541 -8.210 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.165 17.358 -7.637 1.00 0.00 H new ATOM 777 N CYS A 56 -12.442 12.404 -7.032 1.00 0.00 N ATOM 778 CA CYS A 56 -13.608 11.533 -7.121 1.00 0.00 C ATOM 779 C CYS A 56 -14.654 11.911 -6.080 1.00 0.00 C ATOM 780 O CYS A 56 -14.501 12.896 -5.359 1.00 0.00 O ATOM 781 CB CYS A 56 -13.197 10.070 -6.941 1.00 0.00 C ATOM 782 SG CYS A 56 -11.560 9.666 -7.632 1.00 0.00 S ATOM 0 H CYS A 56 -11.585 11.933 -6.743 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.046 11.660 -8.111 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.199 9.831 -5.877 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.946 9.433 -7.412 1.00 0.00 H new ATOM 787 N VAL A 57 -15.720 11.122 -6.013 1.00 0.00 N ATOM 788 CA VAL A 57 -16.799 11.373 -5.067 1.00 0.00 C ATOM 789 C VAL A 57 -17.431 10.069 -4.595 1.00 0.00 C ATOM 790 O VAL A 57 -18.623 9.836 -4.794 1.00 0.00 O ATOM 791 CB VAL A 57 -17.885 12.265 -5.694 1.00 0.00 C ATOM 792 CG1 VAL A 57 -18.721 12.932 -4.612 1.00 0.00 C ATOM 793 CG2 VAL A 57 -17.254 13.303 -6.611 1.00 0.00 C ATOM 0 H VAL A 57 -15.860 10.302 -6.604 1.00 0.00 H new ATOM 0 HA VAL A 57 -16.364 11.887 -4.210 1.00 0.00 H new ATOM 0 HB VAL A 57 -18.546 11.638 -6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -19.483 13.558 -5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -19.202 12.168 -4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -18.078 13.548 -3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -18.035 13.926 -7.047 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -16.570 13.928 -6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -16.705 12.800 -7.407 1.00 0.00 H new ATOM 803 N LEU A 58 -16.621 9.220 -3.971 1.00 0.00 N ATOM 804 CA LEU A 58 -17.097 7.935 -3.471 1.00 0.00 C ATOM 805 C LEU A 58 -17.800 8.099 -2.127 1.00 0.00 C ATOM 806 O LEU A 58 -17.598 9.092 -1.427 1.00 0.00 O ATOM 807 CB LEU A 58 -15.928 6.958 -3.330 1.00 0.00 C ATOM 808 CG LEU A 58 -15.383 6.408 -4.651 1.00 0.00 C ATOM 809 CD1 LEU A 58 -13.871 6.262 -4.584 1.00 0.00 C ATOM 810 CD2 LEU A 58 -16.035 5.074 -4.981 1.00 0.00 C ATOM 0 H LEU A 58 -15.632 9.399 -3.799 1.00 0.00 H new ATOM 0 HA LEU A 58 -17.814 7.537 -4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -15.118 7.458 -2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.246 6.121 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.625 7.115 -5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.501 5.870 -5.531 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -13.420 7.236 -4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.607 5.576 -3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -15.636 4.697 -5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -15.824 4.359 -4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -17.113 5.208 -5.071 1.00 0.00 H new ATOM 822 N PRO A 59 -18.640 7.123 -1.747 1.00 0.00 N ATOM 823 CA PRO A 59 -18.901 5.929 -2.558 1.00 0.00 C ATOM 824 C PRO A 59 -19.696 6.245 -3.820 1.00 0.00 C ATOM 825 O PRO A 59 -20.447 7.219 -3.866 1.00 0.00 O ATOM 826 CB PRO A 59 -19.727 5.024 -1.630 1.00 0.00 C ATOM 827 CG PRO A 59 -19.610 5.633 -0.272 1.00 0.00 C ATOM 828 CD PRO A 59 -19.402 7.101 -0.495 1.00 0.00 C ATOM 0 HA PRO A 59 -17.973 5.474 -2.904 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -20.768 4.978 -1.951 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -19.346 4.003 -1.636 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -20.509 5.451 0.316 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -18.776 5.200 0.279 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -20.347 7.636 -0.585 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -18.851 7.563 0.324 1.00 0.00 H new ATOM 836 N PHE A 60 -19.530 5.409 -4.838 1.00 0.00 N ATOM 837 CA PHE A 60 -20.237 5.590 -6.100 1.00 0.00 C ATOM 838 C PHE A 60 -20.618 4.241 -6.699 1.00 0.00 C ATOM 839 O PHE A 60 -19.786 3.341 -6.812 1.00 0.00 O ATOM 840 CB PHE A 60 -19.377 6.383 -7.089 1.00 0.00 C ATOM 841 CG PHE A 60 -18.366 5.546 -7.820 1.00 0.00 C ATOM 842 CD1 PHE A 60 -18.766 4.631 -8.780 1.00 0.00 C ATOM 843 CD2 PHE A 60 -17.013 5.679 -7.548 1.00 0.00 C ATOM 844 CE1 PHE A 60 -17.837 3.863 -9.455 1.00 0.00 C ATOM 845 CE2 PHE A 60 -16.079 4.912 -8.218 1.00 0.00 C ATOM 846 CZ PHE A 60 -16.491 4.004 -9.174 1.00 0.00 C ATOM 0 H PHE A 60 -18.911 4.598 -4.814 1.00 0.00 H new ATOM 0 HA PHE A 60 -21.149 6.153 -5.902 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -20.029 6.866 -7.817 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -18.858 7.175 -6.550 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -19.816 4.517 -9.003 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -16.685 6.390 -6.804 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -18.162 3.153 -10.201 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.028 5.022 -7.994 1.00 0.00 H new ATOM 0 HZ PHE A 60 -15.763 3.405 -9.701 1.00 0.00 H new ATOM 856 N THR A 61 -21.886 4.103 -7.073 1.00 0.00 N ATOM 857 CA THR A 61 -22.382 2.865 -7.650 1.00 0.00 C ATOM 858 C THR A 61 -22.274 2.883 -9.172 1.00 0.00 C ATOM 859 O THR A 61 -22.298 3.946 -9.793 1.00 0.00 O ATOM 860 CB THR A 61 -23.847 2.622 -7.255 1.00 0.00 C ATOM 861 OG1 THR A 61 -24.591 3.842 -7.357 1.00 0.00 O ATOM 862 CG2 THR A 61 -23.945 2.081 -5.836 1.00 0.00 C ATOM 0 H THR A 61 -22.588 4.837 -6.985 1.00 0.00 H new ATOM 0 HA THR A 61 -21.763 2.058 -7.257 1.00 0.00 H new ATOM 0 HB THR A 61 -24.265 1.882 -7.938 1.00 0.00 H new ATOM 0 HG1 THR A 61 -25.524 3.678 -7.105 1.00 0.00 H new ATOM 0 HG21 THR A 61 -24.992 1.917 -5.580 1.00 0.00 H new ATOM 0 HG22 THR A 61 -23.403 1.138 -5.768 1.00 0.00 H new ATOM 0 HG23 THR A 61 -23.510 2.800 -5.142 1.00 0.00 H new ATOM 870 N TYR A 62 -22.161 1.701 -9.767 1.00 0.00 N ATOM 871 CA TYR A 62 -22.057 1.583 -11.217 1.00 0.00 C ATOM 872 C TYR A 62 -22.331 0.153 -11.672 1.00 0.00 C ATOM 873 O TYR A 62 -21.796 -0.805 -11.112 1.00 0.00 O ATOM 874 CB TYR A 62 -20.677 2.037 -11.697 1.00 0.00 C ATOM 875 CG TYR A 62 -20.319 1.537 -13.078 1.00 0.00 C ATOM 876 CD1 TYR A 62 -19.876 0.234 -13.274 1.00 0.00 C ATOM 877 CD2 TYR A 62 -20.427 2.367 -14.187 1.00 0.00 C ATOM 878 CE1 TYR A 62 -19.549 -0.226 -14.535 1.00 0.00 C ATOM 879 CE2 TYR A 62 -20.101 1.914 -15.451 1.00 0.00 C ATOM 880 CZ TYR A 62 -19.664 0.618 -15.620 1.00 0.00 C ATOM 881 OH TYR A 62 -19.339 0.163 -16.877 1.00 0.00 O ATOM 0 H TYR A 62 -22.139 0.811 -9.268 1.00 0.00 H new ATOM 0 HA TYR A 62 -22.812 2.232 -11.660 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -20.641 3.126 -11.694 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -19.924 1.692 -10.989 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -19.786 -0.430 -12.427 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -20.771 3.383 -14.059 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -19.205 -1.241 -14.671 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -20.188 2.573 -16.303 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.476 0.881 -17.530 1.00 0.00 H new ATOM 891 N ASN A 63 -23.177 0.015 -12.688 1.00 0.00 N ATOM 892 CA ASN A 63 -23.529 -1.297 -13.220 1.00 0.00 C ATOM 893 C ASN A 63 -24.515 -2.018 -12.303 1.00 0.00 C ATOM 894 O ASN A 63 -25.006 -3.098 -12.632 1.00 0.00 O ATOM 895 CB ASN A 63 -22.272 -2.149 -13.403 1.00 0.00 C ATOM 896 CG ASN A 63 -22.008 -2.486 -14.857 1.00 0.00 C ATOM 897 OD1 ASN A 63 -22.907 -2.424 -15.695 1.00 0.00 O ATOM 898 ND2 ASN A 63 -20.767 -2.845 -15.165 1.00 0.00 N ATOM 0 H ASN A 63 -23.632 0.797 -13.160 1.00 0.00 H new ATOM 0 HA ASN A 63 -24.007 -1.148 -14.188 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -21.413 -1.616 -12.995 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -22.376 -3.072 -12.832 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -20.529 -3.083 -16.128 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -20.052 -2.883 -14.439 1.00 0.00 H new ATOM 905 N GLY A 64 -24.798 -1.419 -11.150 1.00 0.00 N ATOM 906 CA GLY A 64 -25.716 -2.023 -10.205 1.00 0.00 C ATOM 907 C GLY A 64 -25.043 -2.337 -8.885 1.00 0.00 C ATOM 908 O GLY A 64 -25.641 -2.958 -8.005 1.00 0.00 O ATOM 0 H GLY A 64 -24.406 -0.525 -10.854 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -26.555 -1.349 -10.033 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -26.125 -2.939 -10.631 1.00 0.00 H new ATOM 912 N ARG A 65 -23.792 -1.909 -8.751 1.00 0.00 N ATOM 913 CA ARG A 65 -23.027 -2.147 -7.535 1.00 0.00 C ATOM 914 C ARG A 65 -22.599 -0.823 -6.900 1.00 0.00 C ATOM 915 O ARG A 65 -22.844 0.249 -7.452 1.00 0.00 O ATOM 916 CB ARG A 65 -21.805 -3.024 -7.857 1.00 0.00 C ATOM 917 CG ARG A 65 -20.465 -2.407 -7.488 1.00 0.00 C ATOM 918 CD ARG A 65 -19.306 -3.178 -8.100 1.00 0.00 C ATOM 919 NE ARG A 65 -19.113 -4.476 -7.459 1.00 0.00 N ATOM 920 CZ ARG A 65 -19.726 -5.590 -7.849 1.00 0.00 C ATOM 921 NH1 ARG A 65 -20.569 -5.565 -8.874 1.00 0.00 N ATOM 922 NH2 ARG A 65 -19.496 -6.731 -7.214 1.00 0.00 N ATOM 0 H ARG A 65 -23.287 -1.394 -9.472 1.00 0.00 H new ATOM 0 HA ARG A 65 -23.655 -2.672 -6.815 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -21.909 -3.974 -7.333 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -21.806 -3.247 -8.924 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -20.434 -1.372 -7.828 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -20.358 -2.389 -6.403 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -19.489 -3.323 -9.165 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -18.392 -2.590 -8.011 1.00 0.00 H new ATOM 0 HE ARG A 65 -18.472 -4.531 -6.668 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -20.749 -4.689 -9.365 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -21.037 -6.421 -9.170 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.849 -6.755 -6.426 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -19.966 -7.585 -7.513 1.00 0.00 H new ATOM 936 N THR A 66 -21.952 -0.912 -5.742 1.00 0.00 N ATOM 937 CA THR A 66 -21.480 0.274 -5.036 1.00 0.00 C ATOM 938 C THR A 66 -19.968 0.229 -4.851 1.00 0.00 C ATOM 939 O THR A 66 -19.448 -0.599 -4.104 1.00 0.00 O ATOM 940 CB THR A 66 -22.150 0.413 -3.656 1.00 0.00 C ATOM 941 OG1 THR A 66 -23.575 0.381 -3.796 1.00 0.00 O ATOM 942 CG2 THR A 66 -21.732 1.712 -2.981 1.00 0.00 C ATOM 0 H THR A 66 -21.743 -1.793 -5.273 1.00 0.00 H new ATOM 0 HA THR A 66 -21.748 1.136 -5.647 1.00 0.00 H new ATOM 0 HB THR A 66 -21.828 -0.423 -3.035 1.00 0.00 H new ATOM 0 HG1 THR A 66 -23.992 0.468 -2.914 1.00 0.00 H new ATOM 0 HG21 THR A 66 -22.217 1.789 -2.008 1.00 0.00 H new ATOM 0 HG22 THR A 66 -20.650 1.722 -2.849 1.00 0.00 H new ATOM 0 HG23 THR A 66 -22.029 2.557 -3.602 1.00 0.00 H new ATOM 950 N PHE A 67 -19.266 1.123 -5.539 1.00 0.00 N ATOM 951 CA PHE A 67 -17.812 1.182 -5.454 1.00 0.00 C ATOM 952 C PHE A 67 -17.367 2.216 -4.424 1.00 0.00 C ATOM 953 O PHE A 67 -17.855 3.346 -4.411 1.00 0.00 O ATOM 954 CB PHE A 67 -17.213 1.517 -6.821 1.00 0.00 C ATOM 955 CG PHE A 67 -17.741 0.656 -7.934 1.00 0.00 C ATOM 956 CD1 PHE A 67 -19.030 0.829 -8.411 1.00 0.00 C ATOM 957 CD2 PHE A 67 -16.947 -0.328 -8.502 1.00 0.00 C ATOM 958 CE1 PHE A 67 -19.518 0.038 -9.433 1.00 0.00 C ATOM 959 CE2 PHE A 67 -17.430 -1.124 -9.524 1.00 0.00 C ATOM 960 CZ PHE A 67 -18.718 -0.940 -9.991 1.00 0.00 C ATOM 0 H PHE A 67 -19.681 1.816 -6.162 1.00 0.00 H new ATOM 0 HA PHE A 67 -17.453 0.203 -5.137 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -17.418 2.562 -7.052 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -16.130 1.408 -6.771 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -19.661 1.591 -7.979 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -15.939 -0.475 -8.142 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -20.525 0.184 -9.796 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -16.802 -1.889 -9.957 1.00 0.00 H new ATOM 0 HZ PHE A 67 -19.098 -1.559 -10.790 1.00 0.00 H new ATOM 970 N TYR A 68 -16.437 1.818 -3.561 1.00 0.00 N ATOM 971 CA TYR A 68 -15.923 2.709 -2.526 1.00 0.00 C ATOM 972 C TYR A 68 -14.496 3.142 -2.844 1.00 0.00 C ATOM 973 O TYR A 68 -13.796 3.683 -1.989 1.00 0.00 O ATOM 974 CB TYR A 68 -15.968 2.018 -1.162 1.00 0.00 C ATOM 975 CG TYR A 68 -17.353 1.955 -0.559 1.00 0.00 C ATOM 976 CD1 TYR A 68 -18.316 1.098 -1.074 1.00 0.00 C ATOM 977 CD2 TYR A 68 -17.697 2.752 0.525 1.00 0.00 C ATOM 978 CE1 TYR A 68 -19.584 1.037 -0.526 1.00 0.00 C ATOM 979 CE2 TYR A 68 -18.962 2.697 1.079 1.00 0.00 C ATOM 980 CZ TYR A 68 -19.901 1.838 0.550 1.00 0.00 C ATOM 981 OH TYR A 68 -21.163 1.780 1.098 1.00 0.00 O ATOM 0 H TYR A 68 -16.024 0.885 -3.558 1.00 0.00 H new ATOM 0 HA TYR A 68 -16.555 3.597 -2.496 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -15.579 1.005 -1.265 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -15.306 2.545 -0.475 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -18.071 0.469 -1.917 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -16.964 3.426 0.942 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -20.322 0.365 -0.939 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -19.213 3.324 1.922 1.00 0.00 H new ATOM 0 HH TYR A 68 -21.222 2.406 1.849 1.00 0.00 H new ATOM 991 N SER A 69 -14.071 2.899 -4.080 1.00 0.00 N ATOM 992 CA SER A 69 -12.728 3.262 -4.514 1.00 0.00 C ATOM 993 C SER A 69 -12.552 3.004 -6.007 1.00 0.00 C ATOM 994 O SER A 69 -13.343 2.289 -6.620 1.00 0.00 O ATOM 995 CB SER A 69 -11.683 2.476 -3.721 1.00 0.00 C ATOM 996 OG SER A 69 -12.174 1.198 -3.355 1.00 0.00 O ATOM 0 H SER A 69 -14.639 2.451 -4.799 1.00 0.00 H new ATOM 0 HA SER A 69 -12.588 4.327 -4.328 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.778 2.364 -4.318 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.407 3.033 -2.826 1.00 0.00 H new ATOM 0 HG SER A 69 -11.486 0.715 -2.851 1.00 0.00 H new ATOM 1002 N CYS A 70 -11.510 3.592 -6.586 1.00 0.00 N ATOM 1003 CA CYS A 70 -11.232 3.425 -8.007 1.00 0.00 C ATOM 1004 C CYS A 70 -11.466 1.981 -8.441 1.00 0.00 C ATOM 1005 O CYS A 70 -11.601 1.086 -7.606 1.00 0.00 O ATOM 1006 CB CYS A 70 -9.791 3.837 -8.318 1.00 0.00 C ATOM 1007 SG CYS A 70 -9.493 5.632 -8.214 1.00 0.00 S ATOM 0 H CYS A 70 -10.845 4.188 -6.093 1.00 0.00 H new ATOM 0 HA CYS A 70 -11.914 4.068 -8.564 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.121 3.327 -7.626 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.534 3.494 -9.320 1.00 0.00 H new ATOM 1012 N THR A 71 -11.510 1.761 -9.751 1.00 0.00 N ATOM 1013 CA THR A 71 -11.727 0.426 -10.294 1.00 0.00 C ATOM 1014 C THR A 71 -11.363 0.369 -11.773 1.00 0.00 C ATOM 1015 O THR A 71 -10.991 1.380 -12.371 1.00 0.00 O ATOM 1016 CB THR A 71 -13.191 -0.020 -10.122 1.00 0.00 C ATOM 1017 OG1 THR A 71 -13.325 -1.407 -10.455 1.00 0.00 O ATOM 1018 CG2 THR A 71 -14.117 0.807 -11.002 1.00 0.00 C ATOM 0 H THR A 71 -11.398 2.490 -10.456 1.00 0.00 H new ATOM 0 HA THR A 71 -11.080 -0.251 -9.736 1.00 0.00 H new ATOM 0 HB THR A 71 -13.472 0.133 -9.080 1.00 0.00 H new ATOM 0 HG1 THR A 71 -14.259 -1.682 -10.341 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.145 0.473 -10.863 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.037 1.859 -10.727 1.00 0.00 H new ATOM 0 HG23 THR A 71 -13.833 0.682 -12.047 1.00 0.00 H new ATOM 1026 N THR A 72 -11.472 -0.818 -12.360 1.00 0.00 N ATOM 1027 CA THR A 72 -11.153 -1.007 -13.770 1.00 0.00 C ATOM 1028 C THR A 72 -12.339 -1.597 -14.526 1.00 0.00 C ATOM 1029 O THR A 72 -12.180 -2.152 -15.613 1.00 0.00 O ATOM 1030 CB THR A 72 -9.933 -1.929 -13.952 1.00 0.00 C ATOM 1031 OG1 THR A 72 -10.179 -3.195 -13.329 1.00 0.00 O ATOM 1032 CG2 THR A 72 -8.684 -1.297 -13.357 1.00 0.00 C ATOM 0 H THR A 72 -11.779 -1.664 -11.880 1.00 0.00 H new ATOM 0 HA THR A 72 -10.918 -0.023 -14.176 1.00 0.00 H new ATOM 0 HB THR A 72 -9.772 -2.076 -15.020 1.00 0.00 H new ATOM 0 HG1 THR A 72 -9.399 -3.776 -13.450 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.835 -1.966 -13.497 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.484 -0.348 -13.855 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.836 -1.123 -12.292 1.00 0.00 H new ATOM 1040 N GLU A 73 -13.527 -1.471 -13.945 1.00 0.00 N ATOM 1041 CA GLU A 73 -14.740 -1.991 -14.564 1.00 0.00 C ATOM 1042 C GLU A 73 -15.288 -1.010 -15.596 1.00 0.00 C ATOM 1043 O GLU A 73 -16.364 -0.440 -15.414 1.00 0.00 O ATOM 1044 CB GLU A 73 -15.801 -2.274 -13.499 1.00 0.00 C ATOM 1045 CG GLU A 73 -16.129 -3.750 -13.345 1.00 0.00 C ATOM 1046 CD GLU A 73 -14.916 -4.640 -13.535 1.00 0.00 C ATOM 1047 OE1 GLU A 73 -14.146 -4.809 -12.567 1.00 0.00 O ATOM 1048 OE2 GLU A 73 -14.737 -5.168 -14.652 1.00 0.00 O ATOM 0 H GLU A 73 -13.676 -1.013 -13.046 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.488 -2.922 -15.072 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.455 -1.885 -12.541 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -16.712 -1.732 -13.753 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.551 -3.923 -12.355 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.895 -4.026 -14.070 1.00 0.00 H new ATOM 1055 N GLY A 74 -14.542 -0.820 -16.679 1.00 0.00 N ATOM 1056 CA GLY A 74 -14.968 0.093 -17.723 1.00 0.00 C ATOM 1057 C GLY A 74 -13.809 0.616 -18.547 1.00 0.00 C ATOM 1058 O GLY A 74 -14.001 1.104 -19.661 1.00 0.00 O ATOM 0 H GLY A 74 -13.649 -1.282 -16.852 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.675 -0.415 -18.379 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -15.497 0.933 -17.273 1.00 0.00 H new ATOM 1062 N ARG A 75 -12.603 0.514 -17.999 1.00 0.00 N ATOM 1063 CA ARG A 75 -11.407 0.981 -18.691 1.00 0.00 C ATOM 1064 C ARG A 75 -10.891 -0.076 -19.661 1.00 0.00 C ATOM 1065 O ARG A 75 -11.036 -1.275 -19.422 1.00 0.00 O ATOM 1066 CB ARG A 75 -10.315 1.339 -17.681 1.00 0.00 C ATOM 1067 CG ARG A 75 -10.611 2.600 -16.886 1.00 0.00 C ATOM 1068 CD ARG A 75 -10.739 3.814 -17.792 1.00 0.00 C ATOM 1069 NE ARG A 75 -9.469 4.164 -18.420 1.00 0.00 N ATOM 1070 CZ ARG A 75 -9.367 4.957 -19.481 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -10.457 5.475 -20.031 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -8.175 5.233 -19.993 1.00 0.00 N ATOM 0 H ARG A 75 -12.428 0.112 -17.078 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.672 1.872 -19.260 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.184 0.506 -16.990 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.370 1.466 -18.210 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.534 2.467 -16.322 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -9.815 2.769 -16.160 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.482 3.614 -18.564 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.103 4.662 -17.212 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.612 3.779 -18.022 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.375 5.265 -19.639 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.377 6.084 -20.846 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.335 4.836 -19.572 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.098 5.842 -20.808 1.00 0.00 H new ATOM 1086 N GLN A 76 -10.290 0.376 -20.757 1.00 0.00 N ATOM 1087 CA GLN A 76 -9.752 -0.532 -21.763 1.00 0.00 C ATOM 1088 C GLN A 76 -8.248 -0.338 -21.923 1.00 0.00 C ATOM 1089 O GLN A 76 -7.645 -0.833 -22.875 1.00 0.00 O ATOM 1090 CB GLN A 76 -10.451 -0.310 -23.106 1.00 0.00 C ATOM 1091 CG GLN A 76 -10.787 -1.599 -23.838 1.00 0.00 C ATOM 1092 CD GLN A 76 -12.038 -2.265 -23.300 1.00 0.00 C ATOM 1093 OE1 GLN A 76 -13.154 -1.813 -23.554 1.00 0.00 O ATOM 1094 NE2 GLN A 76 -11.858 -3.347 -22.552 1.00 0.00 N ATOM 0 H GLN A 76 -10.163 1.365 -20.971 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.935 -1.553 -21.429 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.369 0.253 -22.939 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.812 0.303 -23.742 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.921 -1.386 -24.899 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.948 -2.289 -23.755 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.915 -3.688 -22.366 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.663 -3.838 -22.163 1.00 0.00 H new ATOM 1103 N ASP A 77 -7.646 0.386 -20.983 1.00 0.00 N ATOM 1104 CA ASP A 77 -6.212 0.644 -21.019 1.00 0.00 C ATOM 1105 C ASP A 77 -5.560 0.285 -19.688 1.00 0.00 C ATOM 1106 O ASP A 77 -4.482 0.781 -19.360 1.00 0.00 O ATOM 1107 CB ASP A 77 -5.946 2.114 -21.351 1.00 0.00 C ATOM 1108 CG ASP A 77 -7.126 3.006 -21.020 1.00 0.00 C ATOM 1109 OD1 ASP A 77 -7.698 2.851 -19.920 1.00 0.00 O ATOM 1110 OD2 ASP A 77 -7.479 3.860 -21.860 1.00 0.00 O ATOM 0 H ASP A 77 -8.130 0.804 -20.188 1.00 0.00 H new ATOM 0 HA ASP A 77 -5.775 0.018 -21.797 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.070 2.455 -20.799 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.710 2.207 -22.411 1.00 0.00 H new ATOM 1115 N GLY A 78 -6.221 -0.579 -18.925 1.00 0.00 N ATOM 1116 CA GLY A 78 -5.691 -0.989 -17.638 1.00 0.00 C ATOM 1117 C GLY A 78 -5.978 0.020 -16.544 1.00 0.00 C ATOM 1118 O GLY A 78 -6.440 -0.342 -15.463 1.00 0.00 O ATOM 0 H GLY A 78 -7.115 -1.003 -19.175 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.121 -1.952 -17.362 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.614 -1.133 -17.721 1.00 0.00 H new ATOM 1122 N HIS A 79 -5.702 1.290 -16.826 1.00 0.00 N ATOM 1123 CA HIS A 79 -5.933 2.355 -15.857 1.00 0.00 C ATOM 1124 C HIS A 79 -7.296 2.198 -15.191 1.00 0.00 C ATOM 1125 O HIS A 79 -8.179 1.519 -15.714 1.00 0.00 O ATOM 1126 CB HIS A 79 -5.838 3.721 -16.539 1.00 0.00 C ATOM 1127 CG HIS A 79 -4.465 4.050 -17.035 1.00 0.00 C ATOM 1128 ND1 HIS A 79 -4.207 5.089 -17.904 1.00 0.00 N ATOM 1129 CD2 HIS A 79 -3.268 3.469 -16.780 1.00 0.00 C ATOM 1130 CE1 HIS A 79 -2.913 5.134 -18.162 1.00 0.00 C ATOM 1131 NE2 HIS A 79 -2.321 4.162 -17.493 1.00 0.00 N ATOM 0 H HIS A 79 -5.319 1.606 -17.717 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.164 2.287 -15.088 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.534 3.748 -17.377 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.155 4.491 -15.836 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -3.092 2.620 -16.136 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.422 5.845 -18.810 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -1.322 3.959 -17.504 1.00 0.00 H new ATOM 1140 N LEU A 80 -7.459 2.831 -14.035 1.00 0.00 N ATOM 1141 CA LEU A 80 -8.716 2.763 -13.296 1.00 0.00 C ATOM 1142 C LEU A 80 -9.509 4.055 -13.452 1.00 0.00 C ATOM 1143 O LEU A 80 -9.080 4.981 -14.140 1.00 0.00 O ATOM 1144 CB LEU A 80 -8.448 2.490 -11.815 1.00 0.00 C ATOM 1145 CG LEU A 80 -7.486 1.334 -11.534 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -6.096 1.658 -12.059 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -7.439 1.031 -10.044 1.00 0.00 C ATOM 0 H LEU A 80 -6.737 3.397 -13.589 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.306 1.944 -13.707 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.046 3.396 -11.361 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.397 2.281 -11.322 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.850 0.447 -12.053 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.425 0.825 -11.850 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.143 1.825 -13.135 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.722 2.557 -11.568 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.750 0.206 -9.862 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.098 1.914 -9.504 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.435 0.755 -9.697 1.00 0.00 H new ATOM 1159 N TRP A 81 -10.669 4.112 -12.805 1.00 0.00 N ATOM 1160 CA TRP A 81 -11.525 5.291 -12.870 1.00 0.00 C ATOM 1161 C TRP A 81 -12.327 5.451 -11.581 1.00 0.00 C ATOM 1162 O TRP A 81 -12.357 4.550 -10.743 1.00 0.00 O ATOM 1163 CB TRP A 81 -12.472 5.195 -14.067 1.00 0.00 C ATOM 1164 CG TRP A 81 -13.346 3.978 -14.036 1.00 0.00 C ATOM 1165 CD1 TRP A 81 -12.965 2.690 -14.276 1.00 0.00 C ATOM 1166 CD2 TRP A 81 -14.749 3.936 -13.751 1.00 0.00 C ATOM 1167 NE1 TRP A 81 -14.045 1.848 -14.156 1.00 0.00 N ATOM 1168 CE2 TRP A 81 -15.151 2.590 -13.834 1.00 0.00 C ATOM 1169 CE3 TRP A 81 -15.704 4.906 -13.432 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 -16.467 2.190 -13.611 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 -17.009 4.508 -13.211 1.00 0.00 C ATOM 1172 CH2 TRP A 81 -17.380 3.161 -13.301 1.00 0.00 C ATOM 0 H TRP A 81 -11.038 3.355 -12.229 1.00 0.00 H new ATOM 0 HA TRP A 81 -10.888 6.167 -12.991 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -13.101 6.085 -14.096 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -11.886 5.189 -14.986 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -11.961 2.378 -14.524 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -14.026 0.836 -14.285 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -15.427 5.947 -13.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -16.756 1.152 -13.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -17.755 5.249 -12.965 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -18.408 2.883 -13.122 1.00 0.00 H new ATOM 1183 N CYS A 82 -12.973 6.601 -11.431 1.00 0.00 N ATOM 1184 CA CYS A 82 -13.775 6.877 -10.244 1.00 0.00 C ATOM 1185 C CYS A 82 -14.849 7.917 -10.540 1.00 0.00 C ATOM 1186 O CYS A 82 -14.564 8.977 -11.097 1.00 0.00 O ATOM 1187 CB CYS A 82 -12.880 7.362 -9.102 1.00 0.00 C ATOM 1188 SG CYS A 82 -11.982 8.906 -9.465 1.00 0.00 S ATOM 0 H CYS A 82 -12.958 7.357 -12.115 1.00 0.00 H new ATOM 0 HA CYS A 82 -14.266 5.951 -9.945 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -13.493 7.511 -8.213 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -12.157 6.581 -8.864 1.00 0.00 H new ATOM 1193 N SER A 83 -16.086 7.608 -10.162 1.00 0.00 N ATOM 1194 CA SER A 83 -17.203 8.517 -10.386 1.00 0.00 C ATOM 1195 C SER A 83 -17.000 9.822 -9.622 1.00 0.00 C ATOM 1196 O SER A 83 -17.109 9.858 -8.395 1.00 0.00 O ATOM 1197 CB SER A 83 -18.516 7.861 -9.958 1.00 0.00 C ATOM 1198 OG SER A 83 -19.008 8.435 -8.758 1.00 0.00 O ATOM 0 H SER A 83 -16.339 6.735 -9.699 1.00 0.00 H new ATOM 0 HA SER A 83 -17.249 8.742 -11.451 1.00 0.00 H new ATOM 0 HB2 SER A 83 -19.257 7.974 -10.749 1.00 0.00 H new ATOM 0 HB3 SER A 83 -18.362 6.791 -9.816 1.00 0.00 H new ATOM 0 HG SER A 83 -18.268 8.560 -8.128 1.00 0.00 H new ATOM 1204 N THR A 84 -16.702 10.890 -10.354 1.00 0.00 N ATOM 1205 CA THR A 84 -16.481 12.195 -9.743 1.00 0.00 C ATOM 1206 C THR A 84 -17.803 12.896 -9.444 1.00 0.00 C ATOM 1207 O THR A 84 -18.021 14.034 -9.860 1.00 0.00 O ATOM 1208 CB THR A 84 -15.628 13.102 -10.651 1.00 0.00 C ATOM 1209 OG1 THR A 84 -16.218 13.187 -11.953 1.00 0.00 O ATOM 1210 CG2 THR A 84 -14.209 12.568 -10.767 1.00 0.00 C ATOM 0 H THR A 84 -16.608 10.878 -11.370 1.00 0.00 H new ATOM 0 HA THR A 84 -15.947 12.019 -8.809 1.00 0.00 H new ATOM 0 HB THR A 84 -15.591 14.095 -10.204 1.00 0.00 H new ATOM 0 HG1 THR A 84 -15.600 13.642 -12.563 1.00 0.00 H new ATOM 0 HG21 THR A 84 -13.625 13.224 -11.413 1.00 0.00 H new ATOM 0 HG22 THR A 84 -13.752 12.531 -9.778 1.00 0.00 H new ATOM 0 HG23 THR A 84 -14.231 11.565 -11.194 1.00 0.00 H new ATOM 1218 N THR A 85 -18.680 12.210 -8.719 1.00 0.00 N ATOM 1219 CA THR A 85 -19.979 12.769 -8.364 1.00 0.00 C ATOM 1220 C THR A 85 -20.851 11.734 -7.661 1.00 0.00 C ATOM 1221 O THR A 85 -21.136 10.670 -8.211 1.00 0.00 O ATOM 1222 CB THR A 85 -20.725 13.295 -9.604 1.00 0.00 C ATOM 1223 OG1 THR A 85 -20.292 12.588 -10.772 1.00 0.00 O ATOM 1224 CG2 THR A 85 -20.479 14.785 -9.787 1.00 0.00 C ATOM 0 H THR A 85 -18.515 11.267 -8.366 1.00 0.00 H new ATOM 0 HA THR A 85 -19.788 13.600 -7.686 1.00 0.00 H new ATOM 0 HB THR A 85 -21.793 13.133 -9.457 1.00 0.00 H new ATOM 0 HG1 THR A 85 -21.070 12.212 -11.234 1.00 0.00 H new ATOM 0 HG21 THR A 85 -21.015 15.137 -10.669 1.00 0.00 H new ATOM 0 HG22 THR A 85 -20.834 15.323 -8.908 1.00 0.00 H new ATOM 0 HG23 THR A 85 -19.412 14.964 -9.916 1.00 0.00 H new ATOM 1232 N SER A 86 -21.273 12.054 -6.442 1.00 0.00 N ATOM 1233 CA SER A 86 -22.114 11.153 -5.663 1.00 0.00 C ATOM 1234 C SER A 86 -23.098 10.415 -6.565 1.00 0.00 C ATOM 1235 O SER A 86 -23.097 9.186 -6.626 1.00 0.00 O ATOM 1236 CB SER A 86 -22.875 11.933 -4.589 1.00 0.00 C ATOM 1237 OG SER A 86 -24.015 11.216 -4.149 1.00 0.00 O ATOM 0 H SER A 86 -21.046 12.931 -5.972 1.00 0.00 H new ATOM 0 HA SER A 86 -21.469 10.419 -5.180 1.00 0.00 H new ATOM 0 HB2 SER A 86 -22.217 12.130 -3.743 1.00 0.00 H new ATOM 0 HB3 SER A 86 -23.181 12.901 -4.986 1.00 0.00 H new ATOM 0 HG SER A 86 -24.483 11.735 -3.462 1.00 0.00 H new ATOM 1243 N ASN A 87 -23.937 11.174 -7.263 1.00 0.00 N ATOM 1244 CA ASN A 87 -24.925 10.592 -8.163 1.00 0.00 C ATOM 1245 C ASN A 87 -24.326 10.354 -9.545 1.00 0.00 C ATOM 1246 O ASN A 87 -24.713 11.000 -10.521 1.00 0.00 O ATOM 1247 CB ASN A 87 -26.146 11.507 -8.273 1.00 0.00 C ATOM 1248 CG ASN A 87 -26.725 11.866 -6.918 1.00 0.00 C ATOM 1249 OD1 ASN A 87 -27.277 11.014 -6.222 1.00 0.00 O ATOM 1250 ND2 ASN A 87 -26.602 13.131 -6.538 1.00 0.00 N ATOM 0 H ASN A 87 -23.952 12.193 -7.222 1.00 0.00 H new ATOM 0 HA ASN A 87 -25.236 9.632 -7.751 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -25.866 12.420 -8.799 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -26.912 11.016 -8.873 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -26.973 13.431 -5.636 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -26.137 13.804 -7.147 1.00 0.00 H new ATOM 1257 N TYR A 88 -23.380 9.425 -9.622 1.00 0.00 N ATOM 1258 CA TYR A 88 -22.724 9.101 -10.883 1.00 0.00 C ATOM 1259 C TYR A 88 -23.744 8.971 -12.011 1.00 0.00 C ATOM 1260 O TYR A 88 -23.651 9.659 -13.027 1.00 0.00 O ATOM 1261 CB TYR A 88 -21.928 7.802 -10.747 1.00 0.00 C ATOM 1262 CG TYR A 88 -21.496 7.214 -12.071 1.00 0.00 C ATOM 1263 CD1 TYR A 88 -20.497 7.815 -12.827 1.00 0.00 C ATOM 1264 CD2 TYR A 88 -22.087 6.057 -12.565 1.00 0.00 C ATOM 1265 CE1 TYR A 88 -20.100 7.280 -14.038 1.00 0.00 C ATOM 1266 CE2 TYR A 88 -21.693 5.517 -13.775 1.00 0.00 C ATOM 1267 CZ TYR A 88 -20.700 6.131 -14.507 1.00 0.00 C ATOM 1268 OH TYR A 88 -20.307 5.596 -15.712 1.00 0.00 O ATOM 0 H TYR A 88 -23.050 8.882 -8.824 1.00 0.00 H new ATOM 0 HA TYR A 88 -22.041 9.914 -11.128 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -21.044 7.990 -10.137 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -22.534 7.069 -10.214 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -20.023 8.714 -12.463 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -22.866 5.573 -11.995 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -19.323 7.760 -14.614 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -22.162 4.617 -14.145 1.00 0.00 H new ATOM 0 HH TYR A 88 -20.238 4.622 -15.631 1.00 0.00 H new ATOM 1278 N GLU A 89 -24.713 8.081 -11.825 1.00 0.00 N ATOM 1279 CA GLU A 89 -25.747 7.858 -12.828 1.00 0.00 C ATOM 1280 C GLU A 89 -26.502 9.148 -13.133 1.00 0.00 C ATOM 1281 O GLU A 89 -27.127 9.279 -14.185 1.00 0.00 O ATOM 1282 CB GLU A 89 -26.725 6.783 -12.349 1.00 0.00 C ATOM 1283 CG GLU A 89 -26.929 6.772 -10.843 1.00 0.00 C ATOM 1284 CD GLU A 89 -28.313 6.299 -10.445 1.00 0.00 C ATOM 1285 OE1 GLU A 89 -28.518 5.070 -10.356 1.00 0.00 O ATOM 1286 OE2 GLU A 89 -29.193 7.157 -10.224 1.00 0.00 O ATOM 0 H GLU A 89 -24.804 7.503 -10.990 1.00 0.00 H new ATOM 0 HA GLU A 89 -25.262 7.520 -13.743 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -27.688 6.937 -12.836 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -26.360 5.806 -12.665 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -26.182 6.125 -10.384 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -26.765 7.776 -10.451 1.00 0.00 H new ATOM 1293 N GLN A 90 -26.439 10.098 -12.207 1.00 0.00 N ATOM 1294 CA GLN A 90 -27.118 11.378 -12.378 1.00 0.00 C ATOM 1295 C GLN A 90 -26.305 12.311 -13.271 1.00 0.00 C ATOM 1296 O GLN A 90 -26.705 12.616 -14.395 1.00 0.00 O ATOM 1297 CB GLN A 90 -27.362 12.037 -11.020 1.00 0.00 C ATOM 1298 CG GLN A 90 -28.143 13.338 -11.107 1.00 0.00 C ATOM 1299 CD GLN A 90 -27.280 14.510 -11.536 1.00 0.00 C ATOM 1300 OE1 GLN A 90 -27.070 14.736 -12.727 1.00 0.00 O ATOM 1301 NE2 GLN A 90 -26.774 15.259 -10.563 1.00 0.00 N ATOM 0 H GLN A 90 -25.925 10.007 -11.331 1.00 0.00 H new ATOM 0 HA GLN A 90 -28.078 11.189 -12.859 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -27.903 11.340 -10.379 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -26.402 12.230 -10.542 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -28.964 13.218 -11.814 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -28.588 13.556 -10.136 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -26.975 15.034 -9.589 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -26.184 16.060 -10.790 1.00 0.00 H new ATOM 1310 N ASP A 91 -25.163 12.762 -12.763 1.00 0.00 N ATOM 1311 CA ASP A 91 -24.295 13.661 -13.514 1.00 0.00 C ATOM 1312 C ASP A 91 -23.483 12.893 -14.552 1.00 0.00 C ATOM 1313 O ASP A 91 -23.304 13.355 -15.679 1.00 0.00 O ATOM 1314 CB ASP A 91 -23.355 14.407 -12.565 1.00 0.00 C ATOM 1315 CG ASP A 91 -24.088 15.016 -11.385 1.00 0.00 C ATOM 1316 OD1 ASP A 91 -24.425 14.266 -10.445 1.00 0.00 O ATOM 1317 OD2 ASP A 91 -24.324 16.242 -11.403 1.00 0.00 O ATOM 0 H ASP A 91 -24.817 12.520 -11.835 1.00 0.00 H new ATOM 0 HA ASP A 91 -24.925 14.383 -14.033 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -22.592 13.720 -12.200 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -22.839 15.194 -13.114 1.00 0.00 H new ATOM 1322 N GLN A 92 -22.994 11.721 -14.164 1.00 0.00 N ATOM 1323 CA GLN A 92 -22.200 10.889 -15.061 1.00 0.00 C ATOM 1324 C GLN A 92 -20.771 11.408 -15.161 1.00 0.00 C ATOM 1325 O GLN A 92 -20.242 11.599 -16.256 1.00 0.00 O ATOM 1326 CB GLN A 92 -22.840 10.845 -16.451 1.00 0.00 C ATOM 1327 CG GLN A 92 -23.205 9.441 -16.911 1.00 0.00 C ATOM 1328 CD GLN A 92 -23.747 8.582 -15.787 1.00 0.00 C ATOM 1329 OE1 GLN A 92 -24.950 8.559 -15.531 1.00 0.00 O ATOM 1330 NE2 GLN A 92 -22.856 7.867 -15.108 1.00 0.00 N ATOM 0 H GLN A 92 -23.133 11.325 -13.234 1.00 0.00 H new ATOM 0 HA GLN A 92 -22.172 9.880 -14.651 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -23.739 11.462 -16.447 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -22.153 11.287 -17.172 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -23.949 9.505 -17.705 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -22.324 8.962 -17.337 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -21.868 7.917 -15.355 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -23.161 7.269 -14.340 1.00 0.00 H new ATOM 1339 N LYS A 93 -20.150 11.633 -14.009 1.00 0.00 N ATOM 1340 CA LYS A 93 -18.780 12.129 -13.960 1.00 0.00 C ATOM 1341 C LYS A 93 -17.813 11.017 -13.569 1.00 0.00 C ATOM 1342 O LYS A 93 -18.183 10.079 -12.863 1.00 0.00 O ATOM 1343 CB LYS A 93 -18.669 13.290 -12.970 1.00 0.00 C ATOM 1344 CG LYS A 93 -19.857 14.239 -13.011 1.00 0.00 C ATOM 1345 CD LYS A 93 -20.322 14.490 -14.435 1.00 0.00 C ATOM 1346 CE LYS A 93 -21.040 15.824 -14.560 1.00 0.00 C ATOM 1347 NZ LYS A 93 -20.251 16.809 -15.348 1.00 0.00 N ATOM 0 H LYS A 93 -20.575 11.479 -13.094 1.00 0.00 H new ATOM 0 HA LYS A 93 -18.513 12.484 -14.955 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -18.570 12.889 -11.961 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -17.759 13.851 -13.181 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -20.678 13.821 -12.428 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -19.584 15.185 -12.544 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -19.464 14.473 -15.107 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -20.988 13.686 -14.748 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -22.009 15.671 -15.036 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -21.233 16.226 -13.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -20.776 17.705 -15.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -19.337 16.975 -14.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -20.088 16.437 -16.305 1.00 0.00 H new ATOM 1361 N TYR A 94 -16.571 11.128 -14.031 1.00 0.00 N ATOM 1362 CA TYR A 94 -15.552 10.130 -13.726 1.00 0.00 C ATOM 1363 C TYR A 94 -14.158 10.658 -14.048 1.00 0.00 C ATOM 1364 O TYR A 94 -14.009 11.675 -14.725 1.00 0.00 O ATOM 1365 CB TYR A 94 -15.816 8.844 -14.511 1.00 0.00 C ATOM 1366 CG TYR A 94 -15.692 9.012 -16.009 1.00 0.00 C ATOM 1367 CD1 TYR A 94 -14.452 9.198 -16.605 1.00 0.00 C ATOM 1368 CD2 TYR A 94 -16.815 8.985 -16.826 1.00 0.00 C ATOM 1369 CE1 TYR A 94 -14.334 9.352 -17.973 1.00 0.00 C ATOM 1370 CE2 TYR A 94 -16.706 9.137 -18.195 1.00 0.00 C ATOM 1371 CZ TYR A 94 -15.464 9.321 -18.764 1.00 0.00 C ATOM 1372 OH TYR A 94 -15.351 9.473 -20.126 1.00 0.00 O ATOM 0 H TYR A 94 -16.247 11.898 -14.617 1.00 0.00 H new ATOM 0 HA TYR A 94 -15.601 9.913 -12.659 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -15.116 8.077 -14.181 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -16.818 8.484 -14.276 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -13.565 9.223 -15.989 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -17.790 8.843 -16.384 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -13.362 9.496 -18.421 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -17.589 9.112 -18.816 1.00 0.00 H new ATOM 0 HH TYR A 94 -16.240 9.426 -20.535 1.00 0.00 H new ATOM 1382 N SER A 95 -13.139 9.960 -13.557 1.00 0.00 N ATOM 1383 CA SER A 95 -11.756 10.356 -13.793 1.00 0.00 C ATOM 1384 C SER A 95 -10.815 9.167 -13.630 1.00 0.00 C ATOM 1385 O SER A 95 -10.964 8.367 -12.705 1.00 0.00 O ATOM 1386 CB SER A 95 -11.354 11.475 -12.831 1.00 0.00 C ATOM 1387 OG SER A 95 -11.893 12.720 -13.242 1.00 0.00 O ATOM 0 H SER A 95 -13.246 9.117 -12.993 1.00 0.00 H new ATOM 0 HA SER A 95 -11.677 10.721 -14.817 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.704 11.238 -11.826 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.267 11.544 -12.782 1.00 0.00 H new ATOM 0 HG SER A 95 -12.622 12.567 -13.878 1.00 0.00 H new ATOM 1393 N PHE A 96 -9.846 9.056 -14.533 1.00 0.00 N ATOM 1394 CA PHE A 96 -8.882 7.963 -14.488 1.00 0.00 C ATOM 1395 C PHE A 96 -7.860 8.184 -13.377 1.00 0.00 C ATOM 1396 O PHE A 96 -7.154 9.191 -13.359 1.00 0.00 O ATOM 1397 CB PHE A 96 -8.167 7.829 -15.833 1.00 0.00 C ATOM 1398 CG PHE A 96 -9.017 8.223 -17.007 1.00 0.00 C ATOM 1399 CD1 PHE A 96 -10.344 7.834 -17.079 1.00 0.00 C ATOM 1400 CD2 PHE A 96 -8.487 8.981 -18.038 1.00 0.00 C ATOM 1401 CE1 PHE A 96 -11.129 8.196 -18.157 1.00 0.00 C ATOM 1402 CE2 PHE A 96 -9.267 9.346 -19.120 1.00 0.00 C ATOM 1403 CZ PHE A 96 -10.590 8.952 -19.179 1.00 0.00 C ATOM 0 H PHE A 96 -9.708 9.709 -15.304 1.00 0.00 H new ATOM 0 HA PHE A 96 -9.426 7.042 -14.280 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -7.269 8.447 -15.821 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -7.841 6.797 -15.961 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -10.770 7.241 -16.283 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.453 9.290 -17.996 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -12.163 7.888 -18.200 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.843 9.938 -19.917 1.00 0.00 H new ATOM 0 HZ PHE A 96 -11.202 9.235 -20.023 1.00 0.00 H new ATOM 1413 N CYS A 97 -7.786 7.232 -12.451 1.00 0.00 N ATOM 1414 CA CYS A 97 -6.850 7.322 -11.337 1.00 0.00 C ATOM 1415 C CYS A 97 -5.452 6.892 -11.767 1.00 0.00 C ATOM 1416 O CYS A 97 -5.190 6.689 -12.953 1.00 0.00 O ATOM 1417 CB CYS A 97 -7.326 6.454 -10.171 1.00 0.00 C ATOM 1418 SG CYS A 97 -9.126 6.174 -10.136 1.00 0.00 S ATOM 0 H CYS A 97 -8.363 6.391 -12.451 1.00 0.00 H new ATOM 0 HA CYS A 97 -6.809 8.362 -11.013 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -6.820 5.490 -10.220 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -7.024 6.925 -9.235 1.00 0.00 H new ATOM 1423 N THR A 98 -4.556 6.753 -10.794 1.00 0.00 N ATOM 1424 CA THR A 98 -3.185 6.346 -11.073 1.00 0.00 C ATOM 1425 C THR A 98 -3.054 4.827 -11.081 1.00 0.00 C ATOM 1426 O THR A 98 -3.342 4.163 -10.084 1.00 0.00 O ATOM 1427 CB THR A 98 -2.204 6.927 -10.038 1.00 0.00 C ATOM 1428 OG1 THR A 98 -2.867 7.108 -8.781 1.00 0.00 O ATOM 1429 CG2 THR A 98 -1.640 8.257 -10.515 1.00 0.00 C ATOM 0 H THR A 98 -4.756 6.916 -9.807 1.00 0.00 H new ATOM 0 HA THR A 98 -2.935 6.736 -12.059 1.00 0.00 H new ATOM 0 HB THR A 98 -1.381 6.223 -9.916 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.271 8.000 -8.750 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.950 8.648 -9.768 1.00 0.00 H new ATOM 0 HG22 THR A 98 -1.111 8.111 -11.457 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.455 8.966 -10.663 1.00 0.00 H new ATOM 1481 N VAL A 102 1.745 0.698 -5.232 1.00 0.00 N ATOM 1482 CA VAL A 102 2.660 -0.268 -4.637 1.00 0.00 C ATOM 1483 C VAL A 102 2.261 -0.591 -3.202 1.00 0.00 C ATOM 1484 O VAL A 102 2.574 0.156 -2.276 1.00 0.00 O ATOM 1485 CB VAL A 102 4.111 0.249 -4.649 1.00 0.00 C ATOM 1486 CG1 VAL A 102 4.870 -0.317 -5.840 1.00 0.00 C ATOM 1487 CG2 VAL A 102 4.136 1.770 -4.666 1.00 0.00 C ATOM 0 HA VAL A 102 2.600 -1.173 -5.242 1.00 0.00 H new ATOM 0 HB VAL A 102 4.605 -0.089 -3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.893 0.059 -5.832 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.883 -1.405 -5.779 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.378 -0.011 -6.763 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.169 2.117 -4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.624 2.132 -5.558 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.632 2.152 -3.778 1.00 0.00 H new ATOM 1497 N LEU A 103 1.568 -1.711 -3.024 1.00 0.00 N ATOM 1498 CA LEU A 103 1.125 -2.134 -1.700 1.00 0.00 C ATOM 1499 C LEU A 103 0.688 -3.596 -1.714 1.00 0.00 C ATOM 1500 O LEU A 103 -0.289 -3.956 -2.371 1.00 0.00 O ATOM 1501 CB LEU A 103 -0.026 -1.250 -1.218 1.00 0.00 C ATOM 1502 CG LEU A 103 -1.409 -1.646 -1.740 1.00 0.00 C ATOM 1503 CD1 LEU A 103 -2.476 -0.716 -1.183 1.00 0.00 C ATOM 1504 CD2 LEU A 103 -1.428 -1.634 -3.261 1.00 0.00 C ATOM 0 H LEU A 103 1.301 -2.342 -3.780 1.00 0.00 H new ATOM 0 HA LEU A 103 1.965 -2.031 -1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.047 -1.269 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.177 -0.221 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.628 -2.659 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.453 -1.013 -1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.479 -0.776 -0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.262 0.308 -1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.419 -1.918 -3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.188 -0.633 -3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.691 -2.342 -3.640 1.00 0.00 H new ATOM 1516 N VAL A 104 1.418 -4.433 -0.985 1.00 0.00 N ATOM 1517 CA VAL A 104 1.105 -5.856 -0.912 1.00 0.00 C ATOM 1518 C VAL A 104 0.619 -6.233 0.482 1.00 0.00 C ATOM 1519 O VAL A 104 1.141 -5.746 1.483 1.00 0.00 O ATOM 1520 CB VAL A 104 2.337 -6.714 -1.276 1.00 0.00 C ATOM 1521 CG1 VAL A 104 2.170 -8.152 -0.798 1.00 0.00 C ATOM 1522 CG2 VAL A 104 2.589 -6.674 -2.774 1.00 0.00 C ATOM 0 H VAL A 104 2.230 -4.151 -0.436 1.00 0.00 H new ATOM 0 HA VAL A 104 0.311 -6.054 -1.633 1.00 0.00 H new ATOM 0 HB VAL A 104 3.203 -6.292 -0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.053 -8.730 -1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.047 -8.163 0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.290 -8.592 -1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.460 -7.284 -3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.718 -7.064 -3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.770 -5.645 -3.085 1.00 0.00 H new ATOM 1532 N GLN A 105 -0.379 -7.111 0.538 1.00 0.00 N ATOM 1533 CA GLN A 105 -0.932 -7.562 1.809 1.00 0.00 C ATOM 1534 C GLN A 105 -0.546 -9.014 2.079 1.00 0.00 C ATOM 1535 O GLN A 105 -1.310 -9.933 1.787 1.00 0.00 O ATOM 1536 CB GLN A 105 -2.456 -7.418 1.807 1.00 0.00 C ATOM 1537 CG GLN A 105 -2.960 -6.287 2.687 1.00 0.00 C ATOM 1538 CD GLN A 105 -3.227 -5.015 1.908 1.00 0.00 C ATOM 1539 OE1 GLN A 105 -2.559 -4.000 2.106 1.00 0.00 O ATOM 1540 NE2 GLN A 105 -4.208 -5.064 1.013 1.00 0.00 N ATOM 0 H GLN A 105 -0.821 -7.524 -0.284 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.518 -6.939 2.602 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.796 -7.251 0.785 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.902 -8.355 2.142 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.876 -6.601 3.187 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.226 -6.084 3.466 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.736 -5.927 0.882 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.433 -4.239 0.457 1.00 0.00 H new ATOM 1549 N THR A 106 0.646 -9.209 2.631 1.00 0.00 N ATOM 1550 CA THR A 106 1.137 -10.548 2.934 1.00 0.00 C ATOM 1551 C THR A 106 0.578 -11.061 4.256 1.00 0.00 C ATOM 1552 O THR A 106 0.102 -10.286 5.086 1.00 0.00 O ATOM 1553 CB THR A 106 2.675 -10.581 3.003 1.00 0.00 C ATOM 1554 OG1 THR A 106 3.173 -9.340 3.513 1.00 0.00 O ATOM 1555 CG2 THR A 106 3.276 -10.847 1.632 1.00 0.00 C ATOM 0 H THR A 106 1.290 -8.457 2.878 1.00 0.00 H new ATOM 0 HA THR A 106 0.797 -11.193 2.124 1.00 0.00 H new ATOM 0 HB THR A 106 2.965 -11.391 3.673 1.00 0.00 H new ATOM 0 HG1 THR A 106 2.581 -9.017 4.224 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.363 -10.865 1.709 1.00 0.00 H new ATOM 0 HG22 THR A 106 2.922 -11.809 1.260 1.00 0.00 H new ATOM 0 HG23 THR A 106 2.974 -10.058 0.943 1.00 0.00 H new ATOM 1563 N ARG A 107 0.647 -12.374 4.446 1.00 0.00 N ATOM 1564 CA ARG A 107 0.154 -13.001 5.666 1.00 0.00 C ATOM 1565 C ARG A 107 0.911 -14.294 5.952 1.00 0.00 C ATOM 1566 O ARG A 107 1.323 -14.999 5.030 1.00 0.00 O ATOM 1567 CB ARG A 107 -1.345 -13.288 5.549 1.00 0.00 C ATOM 1568 CG ARG A 107 -1.858 -14.274 6.585 1.00 0.00 C ATOM 1569 CD ARG A 107 -3.330 -14.591 6.372 1.00 0.00 C ATOM 1570 NE ARG A 107 -3.764 -15.732 7.172 1.00 0.00 N ATOM 1571 CZ ARG A 107 -3.618 -16.998 6.791 1.00 0.00 C ATOM 1572 NH1 ARG A 107 -3.049 -17.280 5.627 1.00 0.00 N ATOM 1573 NH2 ARG A 107 -4.040 -17.981 7.575 1.00 0.00 N ATOM 0 H ARG A 107 1.041 -13.026 3.768 1.00 0.00 H new ATOM 0 HA ARG A 107 0.319 -12.311 6.494 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -1.894 -12.352 5.647 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.555 -13.678 4.553 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -1.275 -15.194 6.533 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.714 -13.862 7.584 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -3.930 -13.718 6.630 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -3.507 -14.799 5.317 1.00 0.00 H new ATOM 0 HE ARG A 107 -4.204 -15.548 8.074 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.723 -16.526 5.023 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -2.938 -18.251 5.336 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -4.477 -17.767 8.471 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -3.927 -18.951 7.282 1.00 0.00 H new ATOM 1587 N GLY A 108 1.092 -14.600 7.232 1.00 0.00 N ATOM 1588 CA GLY A 108 1.801 -15.808 7.612 1.00 0.00 C ATOM 1589 C GLY A 108 2.161 -15.834 9.084 1.00 0.00 C ATOM 1590 O GLY A 108 1.392 -15.371 9.926 1.00 0.00 O ATOM 0 H GLY A 108 0.761 -14.034 8.013 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.185 -16.676 7.377 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.711 -15.893 7.018 1.00 0.00 H new ATOM 1594 N GLY A 109 3.333 -16.378 9.395 1.00 0.00 N ATOM 1595 CA GLY A 109 3.773 -16.453 10.775 1.00 0.00 C ATOM 1596 C GLY A 109 4.904 -15.489 11.078 1.00 0.00 C ATOM 1597 O GLY A 109 5.127 -15.128 12.235 1.00 0.00 O ATOM 0 H GLY A 109 3.986 -16.768 8.715 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.931 -16.239 11.433 1.00 0.00 H new ATOM 0 HA3 GLY A 109 4.098 -17.470 10.994 1.00 0.00 H new ATOM 1601 N ASN A 110 5.618 -15.070 10.039 1.00 0.00 N ATOM 1602 CA ASN A 110 6.731 -14.142 10.202 1.00 0.00 C ATOM 1603 C ASN A 110 6.253 -12.698 10.092 1.00 0.00 C ATOM 1604 O ASN A 110 6.526 -11.874 10.966 1.00 0.00 O ATOM 1605 CB ASN A 110 7.810 -14.416 9.152 1.00 0.00 C ATOM 1606 CG ASN A 110 9.208 -14.373 9.737 1.00 0.00 C ATOM 1607 OD1 ASN A 110 9.762 -13.300 9.974 1.00 0.00 O ATOM 1608 ND2 ASN A 110 9.787 -15.545 9.972 1.00 0.00 N ATOM 0 H ASN A 110 5.446 -15.358 9.076 1.00 0.00 H new ATOM 0 HA ASN A 110 7.155 -14.292 11.195 1.00 0.00 H new ATOM 0 HB2 ASN A 110 7.637 -15.394 8.703 1.00 0.00 H new ATOM 0 HB3 ASN A 110 7.731 -13.680 8.352 1.00 0.00 H new ATOM 0 HD21 ASN A 110 10.728 -15.579 10.364 1.00 0.00 H new ATOM 0 HD22 ASN A 110 9.291 -16.411 9.760 1.00 0.00 H new ATOM 1615 N SER A 111 5.536 -12.397 9.014 1.00 0.00 N ATOM 1616 CA SER A 111 5.018 -11.054 8.791 1.00 0.00 C ATOM 1617 C SER A 111 3.662 -10.877 9.467 1.00 0.00 C ATOM 1618 O SER A 111 3.167 -9.758 9.604 1.00 0.00 O ATOM 1619 CB SER A 111 4.892 -10.775 7.292 1.00 0.00 C ATOM 1620 OG SER A 111 3.884 -11.578 6.705 1.00 0.00 O ATOM 0 H SER A 111 5.301 -13.066 8.281 1.00 0.00 H new ATOM 0 HA SER A 111 5.720 -10.343 9.228 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.660 -9.722 7.134 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.846 -10.968 6.802 1.00 0.00 H new ATOM 0 HG SER A 111 3.487 -11.102 5.946 1.00 0.00 H new ATOM 1626 N ASN A 112 3.068 -11.989 9.889 1.00 0.00 N ATOM 1627 CA ASN A 112 1.770 -11.957 10.552 1.00 0.00 C ATOM 1628 C ASN A 112 0.841 -10.950 9.884 1.00 0.00 C ATOM 1629 O ASN A 112 0.587 -9.872 10.423 1.00 0.00 O ATOM 1630 CB ASN A 112 1.939 -11.611 12.033 1.00 0.00 C ATOM 1631 CG ASN A 112 2.855 -12.581 12.752 1.00 0.00 C ATOM 1632 OD1 ASN A 112 3.915 -12.945 12.244 1.00 0.00 O ATOM 1633 ND2 ASN A 112 2.450 -13.004 13.944 1.00 0.00 N ATOM 0 H ASN A 112 3.465 -12.923 9.783 1.00 0.00 H new ATOM 0 HA ASN A 112 1.322 -12.947 10.466 1.00 0.00 H new ATOM 0 HB2 ASN A 112 2.340 -10.602 12.124 1.00 0.00 H new ATOM 0 HB3 ASN A 112 0.962 -11.611 12.517 1.00 0.00 H new ATOM 0 HD21 ASN A 112 3.026 -13.657 14.476 1.00 0.00 H new ATOM 0 HD22 ASN A 112 1.563 -12.676 14.327 1.00 0.00 H new ATOM 1640 N GLY A 113 0.338 -11.307 8.708 1.00 0.00 N ATOM 1641 CA GLY A 113 -0.556 -10.423 7.984 1.00 0.00 C ATOM 1642 C GLY A 113 -0.040 -9.000 7.927 1.00 0.00 C ATOM 1643 O GLY A 113 -0.635 -8.093 8.510 1.00 0.00 O ATOM 0 H GLY A 113 0.533 -12.193 8.243 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.691 -10.799 6.970 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -1.536 -10.432 8.460 1.00 0.00 H new ATOM 1647 N ALA A 114 1.070 -8.802 7.223 1.00 0.00 N ATOM 1648 CA ALA A 114 1.665 -7.477 7.093 1.00 0.00 C ATOM 1649 C ALA A 114 1.658 -7.013 5.643 1.00 0.00 C ATOM 1650 O ALA A 114 1.935 -7.791 4.731 1.00 0.00 O ATOM 1651 CB ALA A 114 3.082 -7.481 7.643 1.00 0.00 C ATOM 0 H ALA A 114 1.575 -9.541 6.734 1.00 0.00 H new ATOM 0 HA ALA A 114 1.064 -6.776 7.673 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.515 -6.486 7.540 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.063 -7.761 8.696 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.686 -8.199 7.088 1.00 0.00 H new ATOM 1657 N LEU A 115 1.341 -5.741 5.437 1.00 0.00 N ATOM 1658 CA LEU A 115 1.302 -5.176 4.095 1.00 0.00 C ATOM 1659 C LEU A 115 2.694 -5.172 3.473 1.00 0.00 C ATOM 1660 O LEU A 115 3.413 -4.174 3.546 1.00 0.00 O ATOM 1661 CB LEU A 115 0.740 -3.754 4.130 1.00 0.00 C ATOM 1662 CG LEU A 115 0.946 -2.945 2.848 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -0.064 -3.359 1.789 1.00 0.00 C ATOM 1664 CD2 LEU A 115 0.839 -1.455 3.137 1.00 0.00 C ATOM 0 H LEU A 115 1.108 -5.083 6.180 1.00 0.00 H new ATOM 0 HA LEU A 115 0.649 -5.798 3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.328 -3.807 4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.202 -3.217 4.959 1.00 0.00 H new ATOM 0 HG LEU A 115 1.946 -3.150 2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.097 -2.773 0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.059 -4.418 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.074 -3.183 2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.988 -0.894 2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.149 -1.233 3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.601 -1.169 3.862 1.00 0.00 H new ATOM 1676 N CYS A 116 3.072 -6.292 2.867 1.00 0.00 N ATOM 1677 CA CYS A 116 4.384 -6.412 2.240 1.00 0.00 C ATOM 1678 C CYS A 116 4.790 -5.101 1.579 1.00 0.00 C ATOM 1679 O CYS A 116 3.959 -4.400 0.998 1.00 0.00 O ATOM 1680 CB CYS A 116 4.388 -7.542 1.209 1.00 0.00 C ATOM 1681 SG CYS A 116 5.730 -8.755 1.433 1.00 0.00 S ATOM 0 H CYS A 116 2.491 -7.127 2.796 1.00 0.00 H new ATOM 0 HA CYS A 116 5.108 -6.647 3.020 1.00 0.00 H new ATOM 0 HB2 CYS A 116 3.432 -8.063 1.254 1.00 0.00 H new ATOM 0 HB3 CYS A 116 4.468 -7.109 0.212 1.00 0.00 H new ATOM 1686 N HIS A 117 6.073 -4.778 1.676 1.00 0.00 N ATOM 1687 CA HIS A 117 6.603 -3.551 1.094 1.00 0.00 C ATOM 1688 C HIS A 117 7.495 -3.860 -0.103 1.00 0.00 C ATOM 1689 O HIS A 117 8.567 -4.448 0.042 1.00 0.00 O ATOM 1690 CB HIS A 117 7.388 -2.765 2.149 1.00 0.00 C ATOM 1691 CG HIS A 117 8.376 -1.797 1.573 1.00 0.00 C ATOM 1692 ND1 HIS A 117 9.524 -2.007 0.885 1.00 0.00 N flip ATOM 1693 CD2 HIS A 117 8.240 -0.429 1.679 1.00 0.00 C flip ATOM 1694 CE1 HIS A 117 10.054 -0.774 0.593 1.00 0.00 C flip ATOM 1695 NE2 HIS A 117 9.261 0.160 1.082 1.00 0.00 N flip ATOM 0 H HIS A 117 6.769 -5.351 2.154 1.00 0.00 H new ATOM 0 HA HIS A 117 5.766 -2.945 0.749 1.00 0.00 H new ATOM 0 HB2 HIS A 117 6.685 -2.220 2.780 1.00 0.00 H new ATOM 0 HB3 HIS A 117 7.916 -3.468 2.794 1.00 0.00 H new ATOM 0 HD1 HIS A 117 9.921 -2.912 0.631 1.00 0.00 H new ATOM 0 HD2 HIS A 117 7.426 0.081 2.173 1.00 0.00 H new ATOM 0 HE1 HIS A 117 10.971 -0.598 0.051 1.00 0.00 H new ATOM 1704 N PHE A 118 7.044 -3.459 -1.287 1.00 0.00 N ATOM 1705 CA PHE A 118 7.799 -3.693 -2.511 1.00 0.00 C ATOM 1706 C PHE A 118 8.354 -2.384 -3.065 1.00 0.00 C ATOM 1707 O PHE A 118 7.666 -1.363 -3.081 1.00 0.00 O ATOM 1708 CB PHE A 118 6.913 -4.363 -3.562 1.00 0.00 C ATOM 1709 CG PHE A 118 6.707 -5.834 -3.334 1.00 0.00 C ATOM 1710 CD1 PHE A 118 7.623 -6.757 -3.810 1.00 0.00 C ATOM 1711 CD2 PHE A 118 5.592 -6.293 -2.649 1.00 0.00 C ATOM 1712 CE1 PHE A 118 7.433 -8.110 -3.606 1.00 0.00 C ATOM 1713 CE2 PHE A 118 5.396 -7.646 -2.447 1.00 0.00 C ATOM 1714 CZ PHE A 118 6.318 -8.554 -2.926 1.00 0.00 C ATOM 0 H PHE A 118 6.159 -2.970 -1.424 1.00 0.00 H new ATOM 0 HA PHE A 118 8.633 -4.353 -2.272 1.00 0.00 H new ATOM 0 HB2 PHE A 118 5.942 -3.867 -3.574 1.00 0.00 H new ATOM 0 HB3 PHE A 118 7.358 -4.216 -4.546 1.00 0.00 H new ATOM 0 HD1 PHE A 118 8.496 -6.415 -4.347 1.00 0.00 H new ATOM 0 HD2 PHE A 118 4.869 -5.586 -2.269 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.157 -8.820 -3.979 1.00 0.00 H new ATOM 0 HE2 PHE A 118 4.522 -7.992 -1.915 1.00 0.00 H new ATOM 0 HZ PHE A 118 6.167 -9.612 -2.769 1.00 0.00 H new ATOM 1724 N PRO A 119 9.613 -2.400 -3.526 1.00 0.00 N ATOM 1725 CA PRO A 119 10.454 -3.595 -3.518 1.00 0.00 C ATOM 1726 C PRO A 119 11.034 -3.881 -2.137 1.00 0.00 C ATOM 1727 O PRO A 119 10.940 -3.054 -1.230 1.00 0.00 O ATOM 1728 CB PRO A 119 11.591 -3.266 -4.509 1.00 0.00 C ATOM 1729 CG PRO A 119 11.227 -1.929 -5.086 1.00 0.00 C ATOM 1730 CD PRO A 119 10.323 -1.262 -4.093 1.00 0.00 C ATOM 0 HA PRO A 119 9.884 -4.483 -3.790 1.00 0.00 H new ATOM 0 HB2 PRO A 119 12.556 -3.229 -4.004 1.00 0.00 H new ATOM 0 HB3 PRO A 119 11.668 -4.025 -5.288 1.00 0.00 H new ATOM 0 HG2 PRO A 119 12.119 -1.328 -5.262 1.00 0.00 H new ATOM 0 HG3 PRO A 119 10.727 -2.046 -6.047 1.00 0.00 H new ATOM 0 HD2 PRO A 119 10.882 -0.711 -3.337 1.00 0.00 H new ATOM 0 HD3 PRO A 119 9.645 -0.553 -4.569 1.00 0.00 H new ATOM 1738 N PHE A 120 11.639 -5.054 -1.987 1.00 0.00 N ATOM 1739 CA PHE A 120 12.243 -5.448 -0.720 1.00 0.00 C ATOM 1740 C PHE A 120 13.652 -5.985 -0.945 1.00 0.00 C ATOM 1741 O PHE A 120 13.889 -6.758 -1.873 1.00 0.00 O ATOM 1742 CB PHE A 120 11.384 -6.503 -0.021 1.00 0.00 C ATOM 1743 CG PHE A 120 11.365 -7.831 -0.724 1.00 0.00 C ATOM 1744 CD1 PHE A 120 10.426 -8.095 -1.707 1.00 0.00 C ATOM 1745 CD2 PHE A 120 12.285 -8.815 -0.399 1.00 0.00 C ATOM 1746 CE1 PHE A 120 10.404 -9.315 -2.355 1.00 0.00 C ATOM 1747 CE2 PHE A 120 12.270 -10.037 -1.043 1.00 0.00 C ATOM 1748 CZ PHE A 120 11.327 -10.288 -2.022 1.00 0.00 C ATOM 0 H PHE A 120 11.724 -5.749 -2.728 1.00 0.00 H new ATOM 0 HA PHE A 120 12.302 -4.567 -0.081 1.00 0.00 H new ATOM 0 HB2 PHE A 120 11.754 -6.645 0.994 1.00 0.00 H new ATOM 0 HB3 PHE A 120 10.363 -6.131 0.061 1.00 0.00 H new ATOM 0 HD1 PHE A 120 9.702 -7.338 -1.970 1.00 0.00 H new ATOM 0 HD2 PHE A 120 13.022 -8.624 0.367 1.00 0.00 H new ATOM 0 HE1 PHE A 120 9.667 -9.508 -3.120 1.00 0.00 H new ATOM 0 HE2 PHE A 120 12.994 -10.795 -0.782 1.00 0.00 H new ATOM 0 HZ PHE A 120 11.312 -11.243 -2.526 1.00 0.00 H new ATOM 1758 N LEU A 121 14.588 -5.566 -0.098 1.00 0.00 N ATOM 1759 CA LEU A 121 15.972 -6.005 -0.222 1.00 0.00 C ATOM 1760 C LEU A 121 16.150 -7.436 0.276 1.00 0.00 C ATOM 1761 O LEU A 121 15.844 -7.745 1.428 1.00 0.00 O ATOM 1762 CB LEU A 121 16.909 -5.072 0.554 1.00 0.00 C ATOM 1763 CG LEU A 121 18.400 -5.192 0.200 1.00 0.00 C ATOM 1764 CD1 LEU A 121 18.671 -6.446 -0.608 1.00 0.00 C ATOM 1765 CD2 LEU A 121 18.872 -3.966 -0.562 1.00 0.00 C ATOM 0 H LEU A 121 14.414 -4.926 0.677 1.00 0.00 H new ATOM 0 HA LEU A 121 16.228 -5.972 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 121 16.594 -4.043 0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 121 16.789 -5.268 1.619 1.00 0.00 H new ATOM 0 HG LEU A 121 18.958 -5.260 1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 121 19.734 -6.504 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 121 18.379 -7.322 -0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 121 18.095 -6.414 -1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 121 19.930 -4.072 -0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 121 18.299 -3.867 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 121 18.727 -3.077 0.052 1.00 0.00 H new ATOM 1777 N TYR A 122 16.660 -8.299 -0.596 1.00 0.00 N ATOM 1778 CA TYR A 122 16.897 -9.693 -0.244 1.00 0.00 C ATOM 1779 C TYR A 122 18.371 -10.042 -0.423 1.00 0.00 C ATOM 1780 O TYR A 122 18.905 -9.971 -1.530 1.00 0.00 O ATOM 1781 CB TYR A 122 16.035 -10.622 -1.101 1.00 0.00 C ATOM 1782 CG TYR A 122 16.351 -12.087 -0.904 1.00 0.00 C ATOM 1783 CD1 TYR A 122 17.567 -12.616 -1.316 1.00 0.00 C ATOM 1784 CD2 TYR A 122 15.435 -12.939 -0.300 1.00 0.00 C ATOM 1785 CE1 TYR A 122 17.862 -13.953 -1.135 1.00 0.00 C ATOM 1786 CE2 TYR A 122 15.724 -14.278 -0.114 1.00 0.00 C ATOM 1787 CZ TYR A 122 16.937 -14.780 -0.532 1.00 0.00 C ATOM 1788 OH TYR A 122 17.227 -16.112 -0.349 1.00 0.00 O ATOM 0 H TYR A 122 16.917 -8.057 -1.553 1.00 0.00 H new ATOM 0 HA TYR A 122 16.623 -9.830 0.802 1.00 0.00 H new ATOM 0 HB2 TYR A 122 14.985 -10.450 -0.866 1.00 0.00 H new ATOM 0 HB3 TYR A 122 16.173 -10.366 -2.152 1.00 0.00 H new ATOM 0 HD1 TYR A 122 18.295 -11.971 -1.786 1.00 0.00 H new ATOM 0 HD2 TYR A 122 14.483 -12.550 0.029 1.00 0.00 H new ATOM 0 HE1 TYR A 122 18.812 -14.349 -1.464 1.00 0.00 H new ATOM 0 HE2 TYR A 122 15.002 -14.928 0.357 1.00 0.00 H new ATOM 0 HH TYR A 122 18.128 -16.300 -0.686 1.00 0.00 H new ATOM 1798 N ASN A 123 19.027 -10.411 0.672 1.00 0.00 N ATOM 1799 CA ASN A 123 20.442 -10.761 0.629 1.00 0.00 C ATOM 1800 C ASN A 123 21.231 -9.694 -0.123 1.00 0.00 C ATOM 1801 O ASN A 123 21.968 -9.996 -1.061 1.00 0.00 O ATOM 1802 CB ASN A 123 20.634 -12.122 -0.041 1.00 0.00 C ATOM 1803 CG ASN A 123 22.065 -12.615 0.051 1.00 0.00 C ATOM 1804 OD1 ASN A 123 22.280 -13.661 0.840 1.00 0.00 O flip ATOM 1805 ND2 ASN A 123 22.966 -12.064 -0.580 1.00 0.00 N flip ATOM 0 H ASN A 123 18.603 -10.475 1.597 1.00 0.00 H new ATOM 0 HA ASN A 123 20.814 -10.817 1.652 1.00 0.00 H new ATOM 0 HB2 ASN A 123 19.971 -12.850 0.426 1.00 0.00 H new ATOM 0 HB3 ASN A 123 20.343 -12.052 -1.089 1.00 0.00 H new ATOM 0 HD21 ASN A 123 22.756 -11.263 -1.175 1.00 0.00 H new ATOM 0 HD22 ASN A 123 23.923 -12.409 -0.508 1.00 0.00 H new ATOM 1812 N ASN A 124 21.058 -8.441 0.288 1.00 0.00 N ATOM 1813 CA ASN A 124 21.743 -7.324 -0.351 1.00 0.00 C ATOM 1814 C ASN A 124 21.538 -7.369 -1.862 1.00 0.00 C ATOM 1815 O ASN A 124 22.342 -6.842 -2.631 1.00 0.00 O ATOM 1816 CB ASN A 124 23.237 -7.347 -0.019 1.00 0.00 C ATOM 1817 CG ASN A 124 23.989 -8.399 -0.811 1.00 0.00 C ATOM 1818 OD1 ASN A 124 24.583 -9.356 -0.109 1.00 0.00 O flip ATOM 1819 ND2 ASN A 124 24.035 -8.350 -2.041 1.00 0.00 N flip ATOM 0 H ASN A 124 20.449 -8.175 1.061 1.00 0.00 H new ATOM 0 HA ASN A 124 21.318 -6.397 0.033 1.00 0.00 H new ATOM 0 HB2 ASN A 124 23.667 -6.366 -0.223 1.00 0.00 H new ATOM 0 HB3 ASN A 124 23.367 -7.537 1.047 1.00 0.00 H new ATOM 0 HD21 ASN A 124 23.563 -7.595 -2.539 1.00 0.00 H new ATOM 0 HD22 ASN A 124 24.545 -9.064 -2.561 1.00 0.00 H new ATOM 1826 N HIS A 125 20.437 -7.992 -2.270 1.00 0.00 N ATOM 1827 CA HIS A 125 20.086 -8.103 -3.678 1.00 0.00 C ATOM 1828 C HIS A 125 18.718 -7.476 -3.925 1.00 0.00 C ATOM 1829 O HIS A 125 17.684 -8.105 -3.691 1.00 0.00 O ATOM 1830 CB HIS A 125 20.081 -9.570 -4.114 1.00 0.00 C ATOM 1831 CG HIS A 125 20.756 -9.806 -5.428 1.00 0.00 C ATOM 1832 ND1 HIS A 125 21.117 -11.061 -5.874 1.00 0.00 N ATOM 1833 CD2 HIS A 125 21.140 -8.941 -6.397 1.00 0.00 C ATOM 1834 CE1 HIS A 125 21.692 -10.957 -7.059 1.00 0.00 C ATOM 1835 NE2 HIS A 125 21.717 -9.681 -7.399 1.00 0.00 N ATOM 0 H HIS A 125 19.768 -8.431 -1.637 1.00 0.00 H new ATOM 0 HA HIS A 125 20.832 -7.570 -4.267 1.00 0.00 H new ATOM 0 HB2 HIS A 125 20.574 -10.170 -3.349 1.00 0.00 H new ATOM 0 HB3 HIS A 125 19.050 -9.918 -4.177 1.00 0.00 H new ATOM 0 HD2 HIS A 125 21.015 -7.868 -6.384 1.00 0.00 H new ATOM 0 HE1 HIS A 125 22.076 -11.776 -7.649 1.00 0.00 H new ATOM 0 HE2 HIS A 125 22.103 -9.306 -8.266 1.00 0.00 H new ATOM 1844 N ASN A 126 18.719 -6.230 -4.385 1.00 0.00 N ATOM 1845 CA ASN A 126 17.478 -5.511 -4.651 1.00 0.00 C ATOM 1846 C ASN A 126 16.438 -6.430 -5.288 1.00 0.00 C ATOM 1847 O ASN A 126 16.594 -6.863 -6.429 1.00 0.00 O ATOM 1848 CB ASN A 126 17.744 -4.315 -5.566 1.00 0.00 C ATOM 1849 CG ASN A 126 17.636 -2.992 -4.833 1.00 0.00 C ATOM 1850 OD1 ASN A 126 16.646 -2.273 -4.974 1.00 0.00 O ATOM 1851 ND2 ASN A 126 18.657 -2.668 -4.047 1.00 0.00 N ATOM 0 H ASN A 126 19.566 -5.696 -4.582 1.00 0.00 H new ATOM 0 HA ASN A 126 17.085 -5.154 -3.699 1.00 0.00 H new ATOM 0 HB2 ASN A 126 18.740 -4.407 -6.000 1.00 0.00 H new ATOM 0 HB3 ASN A 126 17.034 -4.328 -6.393 1.00 0.00 H new ATOM 0 HD21 ASN A 126 18.642 -1.790 -3.528 1.00 0.00 H new ATOM 0 HD22 ASN A 126 19.455 -3.297 -3.963 1.00 0.00 H new ATOM 1857 N TYR A 127 15.376 -6.719 -4.541 1.00 0.00 N ATOM 1858 CA TYR A 127 14.308 -7.583 -5.032 1.00 0.00 C ATOM 1859 C TYR A 127 13.006 -6.803 -5.180 1.00 0.00 C ATOM 1860 O TYR A 127 12.874 -5.694 -4.660 1.00 0.00 O ATOM 1861 CB TYR A 127 14.102 -8.766 -4.084 1.00 0.00 C ATOM 1862 CG TYR A 127 15.010 -9.941 -4.369 1.00 0.00 C ATOM 1863 CD1 TYR A 127 16.228 -9.763 -5.015 1.00 0.00 C ATOM 1864 CD2 TYR A 127 14.651 -11.228 -3.991 1.00 0.00 C ATOM 1865 CE1 TYR A 127 17.061 -10.834 -5.276 1.00 0.00 C ATOM 1866 CE2 TYR A 127 15.479 -12.305 -4.248 1.00 0.00 C ATOM 1867 CZ TYR A 127 16.681 -12.103 -4.891 1.00 0.00 C ATOM 1868 OH TYR A 127 17.508 -13.172 -5.149 1.00 0.00 O ATOM 0 H TYR A 127 15.233 -6.368 -3.594 1.00 0.00 H new ATOM 0 HA TYR A 127 14.600 -7.960 -6.012 1.00 0.00 H new ATOM 0 HB2 TYR A 127 14.266 -8.432 -3.060 1.00 0.00 H new ATOM 0 HB3 TYR A 127 13.065 -9.096 -4.149 1.00 0.00 H new ATOM 0 HD1 TYR A 127 16.528 -8.771 -5.318 1.00 0.00 H new ATOM 0 HD2 TYR A 127 13.709 -11.390 -3.488 1.00 0.00 H new ATOM 0 HE1 TYR A 127 18.004 -10.679 -5.779 1.00 0.00 H new ATOM 0 HE2 TYR A 127 15.185 -13.300 -3.946 1.00 0.00 H new ATOM 0 HH TYR A 127 17.094 -13.994 -4.813 1.00 0.00 H new ATOM 1878 N THR A 128 12.046 -7.385 -5.892 1.00 0.00 N ATOM 1879 CA THR A 128 10.757 -6.737 -6.104 1.00 0.00 C ATOM 1880 C THR A 128 9.718 -7.727 -6.617 1.00 0.00 C ATOM 1881 O THR A 128 9.238 -7.613 -7.745 1.00 0.00 O ATOM 1882 CB THR A 128 10.870 -5.568 -7.098 1.00 0.00 C ATOM 1883 OG1 THR A 128 12.188 -5.010 -7.051 1.00 0.00 O ATOM 1884 CG2 THR A 128 9.846 -4.489 -6.784 1.00 0.00 C ATOM 0 H THR A 128 12.136 -8.301 -6.331 1.00 0.00 H new ATOM 0 HA THR A 128 10.438 -6.351 -5.136 1.00 0.00 H new ATOM 0 HB THR A 128 10.674 -5.952 -8.099 1.00 0.00 H new ATOM 0 HG1 THR A 128 12.252 -4.268 -7.687 1.00 0.00 H new ATOM 0 HG21 THR A 128 9.946 -3.673 -7.500 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.843 -4.909 -6.850 1.00 0.00 H new ATOM 0 HG23 THR A 128 10.015 -4.110 -5.776 1.00 0.00 H new ATOM 1892 N ASP A 129 9.371 -8.695 -5.777 1.00 0.00 N ATOM 1893 CA ASP A 129 8.383 -9.704 -6.134 1.00 0.00 C ATOM 1894 C ASP A 129 8.419 -10.868 -5.155 1.00 0.00 C ATOM 1895 O ASP A 129 9.478 -11.233 -4.646 1.00 0.00 O ATOM 1896 CB ASP A 129 8.625 -10.207 -7.559 1.00 0.00 C ATOM 1897 CG ASP A 129 7.441 -9.952 -8.472 1.00 0.00 C ATOM 1898 OD1 ASP A 129 6.395 -9.490 -7.971 1.00 0.00 O ATOM 1899 OD2 ASP A 129 7.561 -10.214 -9.687 1.00 0.00 O ATOM 0 H ASP A 129 9.761 -8.802 -4.841 1.00 0.00 H new ATOM 0 HA ASP A 129 7.396 -9.244 -6.085 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.508 -9.717 -7.969 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.836 -11.276 -7.533 1.00 0.00 H new ATOM 1904 N CYS A 130 7.250 -11.444 -4.892 1.00 0.00 N ATOM 1905 CA CYS A 130 7.141 -12.564 -3.970 1.00 0.00 C ATOM 1906 C CYS A 130 8.207 -13.617 -4.257 1.00 0.00 C ATOM 1907 O CYS A 130 7.971 -14.563 -5.008 1.00 0.00 O ATOM 1908 CB CYS A 130 5.750 -13.194 -4.062 1.00 0.00 C ATOM 1909 SG CYS A 130 4.382 -12.011 -3.846 1.00 0.00 S ATOM 0 H CYS A 130 6.365 -11.151 -5.306 1.00 0.00 H new ATOM 0 HA CYS A 130 7.296 -12.184 -2.960 1.00 0.00 H new ATOM 0 HB2 CYS A 130 5.646 -13.680 -5.032 1.00 0.00 H new ATOM 0 HB3 CYS A 130 5.665 -13.973 -3.305 1.00 0.00 H new ATOM 1914 N THR A 131 9.378 -13.444 -3.655 1.00 0.00 N ATOM 1915 CA THR A 131 10.480 -14.379 -3.847 1.00 0.00 C ATOM 1916 C THR A 131 10.242 -15.672 -3.074 1.00 0.00 C ATOM 1917 O THR A 131 9.650 -15.662 -1.996 1.00 0.00 O ATOM 1918 CB THR A 131 11.821 -13.766 -3.400 1.00 0.00 C ATOM 1919 OG1 THR A 131 12.906 -14.602 -3.821 1.00 0.00 O ATOM 1920 CG2 THR A 131 11.862 -13.599 -1.889 1.00 0.00 C ATOM 0 H THR A 131 9.589 -12.666 -3.030 1.00 0.00 H new ATOM 0 HA THR A 131 10.528 -14.599 -4.914 1.00 0.00 H new ATOM 0 HB THR A 131 11.918 -12.783 -3.862 1.00 0.00 H new ATOM 0 HG1 THR A 131 13.649 -14.517 -3.188 1.00 0.00 H new ATOM 0 HG21 THR A 131 12.818 -13.165 -1.597 1.00 0.00 H new ATOM 0 HG22 THR A 131 11.053 -12.940 -1.574 1.00 0.00 H new ATOM 0 HG23 THR A 131 11.745 -14.572 -1.412 1.00 0.00 H new ATOM 1928 N SER A 132 10.708 -16.783 -3.635 1.00 0.00 N ATOM 1929 CA SER A 132 10.545 -18.086 -3.000 1.00 0.00 C ATOM 1930 C SER A 132 11.901 -18.708 -2.681 1.00 0.00 C ATOM 1931 O SER A 132 12.078 -19.922 -2.789 1.00 0.00 O ATOM 1932 CB SER A 132 9.740 -19.021 -3.904 1.00 0.00 C ATOM 1933 OG SER A 132 8.544 -18.403 -4.343 1.00 0.00 O ATOM 0 H SER A 132 11.201 -16.807 -4.527 1.00 0.00 H new ATOM 0 HA SER A 132 10.003 -17.942 -2.065 1.00 0.00 H new ATOM 0 HB2 SER A 132 10.343 -19.306 -4.766 1.00 0.00 H new ATOM 0 HB3 SER A 132 9.502 -19.938 -3.364 1.00 0.00 H new ATOM 0 HG SER A 132 8.049 -19.021 -4.920 1.00 0.00 H new ATOM 1939 N GLU A 133 12.853 -17.870 -2.288 1.00 0.00 N ATOM 1940 CA GLU A 133 14.194 -18.339 -1.954 1.00 0.00 C ATOM 1941 C GLU A 133 14.153 -19.312 -0.781 1.00 0.00 C ATOM 1942 O GLU A 133 15.132 -20.003 -0.500 1.00 0.00 O ATOM 1943 CB GLU A 133 15.102 -17.155 -1.618 1.00 0.00 C ATOM 1944 CG GLU A 133 16.259 -16.979 -2.589 1.00 0.00 C ATOM 1945 CD GLU A 133 17.424 -17.896 -2.277 1.00 0.00 C ATOM 1946 OE1 GLU A 133 17.245 -19.130 -2.344 1.00 0.00 O ATOM 1947 OE2 GLU A 133 18.519 -17.380 -1.966 1.00 0.00 O ATOM 0 H GLU A 133 12.722 -16.863 -2.193 1.00 0.00 H new ATOM 0 HA GLU A 133 14.596 -18.861 -2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 133 14.506 -16.243 -1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 133 15.500 -17.287 -0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 133 15.910 -17.173 -3.603 1.00 0.00 H new ATOM 0 HG3 GLU A 133 16.598 -15.944 -2.561 1.00 0.00 H new ATOM 1954 N GLY A 134 13.013 -19.361 -0.098 1.00 0.00 N ATOM 1955 CA GLY A 134 12.867 -20.253 1.037 1.00 0.00 C ATOM 1956 C GLY A 134 11.552 -21.008 1.016 1.00 0.00 C ATOM 1957 O GLY A 134 11.221 -21.717 1.965 1.00 0.00 O ATOM 0 H GLY A 134 12.189 -18.799 -0.311 1.00 0.00 H new ATOM 0 HA2 GLY A 134 13.692 -20.966 1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 134 12.937 -19.677 1.959 1.00 0.00 H new ATOM 1961 N ARG A 135 10.800 -20.854 -0.069 1.00 0.00 N ATOM 1962 CA ARG A 135 9.515 -21.526 -0.210 1.00 0.00 C ATOM 1963 C ARG A 135 9.568 -22.576 -1.314 1.00 0.00 C ATOM 1964 O ARG A 135 10.424 -22.521 -2.197 1.00 0.00 O ATOM 1965 CB ARG A 135 8.413 -20.507 -0.512 1.00 0.00 C ATOM 1966 CG ARG A 135 7.284 -20.514 0.506 1.00 0.00 C ATOM 1967 CD ARG A 135 7.811 -20.651 1.924 1.00 0.00 C ATOM 1968 NE ARG A 135 7.578 -21.985 2.469 1.00 0.00 N ATOM 1969 CZ ARG A 135 8.272 -22.499 3.480 1.00 0.00 C ATOM 1970 NH1 ARG A 135 9.236 -21.793 4.051 1.00 0.00 N ATOM 1971 NH2 ARG A 135 8.000 -23.720 3.919 1.00 0.00 N ATOM 0 H ARG A 135 11.059 -20.269 -0.863 1.00 0.00 H new ATOM 0 HA ARG A 135 9.290 -22.026 0.732 1.00 0.00 H new ATOM 0 HB2 ARG A 135 8.852 -19.510 -0.549 1.00 0.00 H new ATOM 0 HB3 ARG A 135 8.001 -20.711 -1.500 1.00 0.00 H new ATOM 0 HG2 ARG A 135 6.709 -19.592 0.418 1.00 0.00 H new ATOM 0 HG3 ARG A 135 6.603 -21.337 0.289 1.00 0.00 H new ATOM 0 HD2 ARG A 135 8.880 -20.437 1.936 1.00 0.00 H new ATOM 0 HD3 ARG A 135 7.330 -19.910 2.562 1.00 0.00 H new ATOM 0 HE ARG A 135 6.842 -22.554 2.051 1.00 0.00 H new ATOM 0 HH11 ARG A 135 9.447 -20.853 3.715 1.00 0.00 H new ATOM 0 HH12 ARG A 135 9.767 -22.189 4.826 1.00 0.00 H new ATOM 0 HH21 ARG A 135 7.258 -24.266 3.481 1.00 0.00 H new ATOM 0 HH22 ARG A 135 8.533 -24.114 4.695 1.00 0.00 H new ATOM 1985 N ARG A 136 8.648 -23.534 -1.258 1.00 0.00 N ATOM 1986 CA ARG A 136 8.589 -24.597 -2.254 1.00 0.00 C ATOM 1987 C ARG A 136 7.279 -25.372 -2.146 1.00 0.00 C ATOM 1988 O ARG A 136 7.214 -26.552 -2.491 1.00 0.00 O ATOM 1989 CB ARG A 136 9.774 -25.550 -2.083 1.00 0.00 C ATOM 1990 CG ARG A 136 10.695 -25.596 -3.291 1.00 0.00 C ATOM 1991 CD ARG A 136 11.407 -26.936 -3.398 1.00 0.00 C ATOM 1992 NE ARG A 136 12.330 -26.976 -4.528 1.00 0.00 N ATOM 1993 CZ ARG A 136 12.720 -28.100 -5.120 1.00 0.00 C ATOM 1994 NH1 ARG A 136 12.269 -29.270 -4.688 1.00 0.00 N ATOM 1995 NH2 ARG A 136 13.562 -28.056 -6.143 1.00 0.00 N ATOM 0 H ARG A 136 7.933 -23.596 -0.533 1.00 0.00 H new ATOM 0 HA ARG A 136 8.639 -24.139 -3.242 1.00 0.00 H new ATOM 0 HB2 ARG A 136 10.350 -25.247 -1.208 1.00 0.00 H new ATOM 0 HB3 ARG A 136 9.397 -26.553 -1.885 1.00 0.00 H new ATOM 0 HG2 ARG A 136 10.117 -25.416 -4.198 1.00 0.00 H new ATOM 0 HG3 ARG A 136 11.432 -24.796 -3.219 1.00 0.00 H new ATOM 0 HD2 ARG A 136 11.954 -27.130 -2.476 1.00 0.00 H new ATOM 0 HD3 ARG A 136 10.669 -27.731 -3.504 1.00 0.00 H new ATOM 0 HE ARG A 136 12.696 -26.092 -4.883 1.00 0.00 H new ATOM 0 HH11 ARG A 136 11.622 -29.308 -3.900 1.00 0.00 H new ATOM 0 HH12 ARG A 136 12.569 -30.132 -5.143 1.00 0.00 H new ATOM 0 HH21 ARG A 136 13.912 -27.158 -6.477 1.00 0.00 H new ATOM 0 HH22 ARG A 136 13.860 -28.920 -6.596 1.00 0.00 H new ATOM 2009 N ASP A 137 6.238 -24.700 -1.667 1.00 0.00 N ATOM 2010 CA ASP A 137 4.930 -25.325 -1.513 1.00 0.00 C ATOM 2011 C ASP A 137 3.859 -24.538 -2.262 1.00 0.00 C ATOM 2012 O ASP A 137 2.671 -24.642 -1.957 1.00 0.00 O ATOM 2013 CB ASP A 137 4.560 -25.430 -0.032 1.00 0.00 C ATOM 2014 CG ASP A 137 5.304 -24.421 0.821 1.00 0.00 C ATOM 2015 OD1 ASP A 137 5.593 -23.314 0.317 1.00 0.00 O ATOM 2016 OD2 ASP A 137 5.598 -24.737 1.994 1.00 0.00 O ATOM 0 H ASP A 137 6.275 -23.722 -1.379 1.00 0.00 H new ATOM 0 HA ASP A 137 4.983 -26.327 -1.938 1.00 0.00 H new ATOM 0 HB2 ASP A 137 3.487 -25.279 0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 137 4.780 -26.436 0.325 1.00 0.00 H new ATOM 2021 N ASN A 138 4.288 -23.751 -3.243 1.00 0.00 N ATOM 2022 CA ASN A 138 3.367 -22.946 -4.036 1.00 0.00 C ATOM 2023 C ASN A 138 2.828 -21.775 -3.222 1.00 0.00 C ATOM 2024 O ASN A 138 1.620 -21.549 -3.163 1.00 0.00 O ATOM 2025 CB ASN A 138 2.207 -23.807 -4.539 1.00 0.00 C ATOM 2026 CG ASN A 138 2.650 -25.205 -4.925 1.00 0.00 C ATOM 2027 OD1 ASN A 138 3.861 -25.316 -5.457 1.00 0.00 O flip ATOM 2028 ND2 ASN A 138 1.912 -26.174 -4.745 1.00 0.00 N flip ATOM 0 H ASN A 138 5.268 -23.654 -3.508 1.00 0.00 H new ATOM 0 HA ASN A 138 3.915 -22.550 -4.891 1.00 0.00 H new ATOM 0 HB2 ASN A 138 1.443 -23.872 -3.764 1.00 0.00 H new ATOM 0 HB3 ASN A 138 1.746 -23.324 -5.401 1.00 0.00 H new ATOM 0 HD21 ASN A 138 0.988 -26.042 -4.333 1.00 0.00 H new ATOM 0 HD22 ASN A 138 2.224 -27.109 -5.008 1.00 0.00 H new ATOM 2035 N MET A 139 3.734 -21.031 -2.594 1.00 0.00 N ATOM 2036 CA MET A 139 3.350 -19.882 -1.782 1.00 0.00 C ATOM 2037 C MET A 139 4.471 -18.849 -1.735 1.00 0.00 C ATOM 2038 O MET A 139 5.197 -18.750 -0.746 1.00 0.00 O ATOM 2039 CB MET A 139 2.994 -20.330 -0.363 1.00 0.00 C ATOM 2040 CG MET A 139 2.223 -19.286 0.428 1.00 0.00 C ATOM 2041 SD MET A 139 2.113 -19.686 2.183 1.00 0.00 S ATOM 2042 CE MET A 139 0.991 -21.082 2.142 1.00 0.00 C ATOM 0 H MET A 139 4.739 -21.204 -2.632 1.00 0.00 H new ATOM 0 HA MET A 139 2.475 -19.421 -2.241 1.00 0.00 H new ATOM 0 HB2 MET A 139 2.402 -21.244 -0.417 1.00 0.00 H new ATOM 0 HB3 MET A 139 3.911 -20.576 0.173 1.00 0.00 H new ATOM 0 HG2 MET A 139 2.706 -18.316 0.310 1.00 0.00 H new ATOM 0 HG3 MET A 139 1.218 -19.193 0.017 1.00 0.00 H new ATOM 0 HE1 MET A 139 0.739 -21.376 3.161 1.00 0.00 H new ATOM 0 HE2 MET A 139 0.082 -20.803 1.610 1.00 0.00 H new ATOM 0 HE3 MET A 139 1.469 -21.918 1.630 1.00 0.00 H new ATOM 2052 N LYS A 140 4.608 -18.084 -2.813 1.00 0.00 N ATOM 2053 CA LYS A 140 5.641 -17.058 -2.896 1.00 0.00 C ATOM 2054 C LYS A 140 5.491 -16.041 -1.769 1.00 0.00 C ATOM 2055 O LYS A 140 4.386 -15.586 -1.473 1.00 0.00 O ATOM 2056 CB LYS A 140 5.579 -16.348 -4.250 1.00 0.00 C ATOM 2057 CG LYS A 140 4.182 -15.888 -4.631 1.00 0.00 C ATOM 2058 CD LYS A 140 3.714 -16.538 -5.924 1.00 0.00 C ATOM 2059 CE LYS A 140 3.524 -15.510 -7.028 1.00 0.00 C ATOM 2060 NZ LYS A 140 4.718 -15.414 -7.911 1.00 0.00 N ATOM 0 H LYS A 140 4.017 -18.155 -3.641 1.00 0.00 H new ATOM 0 HA LYS A 140 6.610 -17.547 -2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 140 6.244 -15.485 -4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 140 5.954 -17.021 -5.021 1.00 0.00 H new ATOM 0 HG2 LYS A 140 3.486 -16.131 -3.828 1.00 0.00 H new ATOM 0 HG3 LYS A 140 4.173 -14.804 -4.744 1.00 0.00 H new ATOM 0 HD2 LYS A 140 4.442 -17.284 -6.242 1.00 0.00 H new ATOM 0 HD3 LYS A 140 2.775 -17.063 -5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 140 2.652 -15.776 -7.625 1.00 0.00 H new ATOM 0 HE3 LYS A 140 3.321 -14.535 -6.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 4.547 -14.702 -8.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 5.546 -15.135 -7.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 4.897 -16.337 -8.355 1.00 0.00 H new ATOM 2074 N TRP A 141 6.609 -15.691 -1.143 1.00 0.00 N ATOM 2075 CA TRP A 141 6.602 -14.727 -0.047 1.00 0.00 C ATOM 2076 C TRP A 141 7.393 -13.477 -0.418 1.00 0.00 C ATOM 2077 O TRP A 141 8.051 -13.432 -1.458 1.00 0.00 O ATOM 2078 CB TRP A 141 7.187 -15.359 1.217 1.00 0.00 C ATOM 2079 CG TRP A 141 8.573 -15.895 1.026 1.00 0.00 C ATOM 2080 CD1 TRP A 141 8.932 -17.203 0.869 1.00 0.00 C ATOM 2081 CD2 TRP A 141 9.787 -15.136 0.971 1.00 0.00 C ATOM 2082 NE1 TRP A 141 10.294 -17.304 0.719 1.00 0.00 N ATOM 2083 CE2 TRP A 141 10.841 -16.049 0.779 1.00 0.00 C ATOM 2084 CE3 TRP A 141 10.083 -13.774 1.066 1.00 0.00 C ATOM 2085 CZ2 TRP A 141 12.169 -15.641 0.679 1.00 0.00 C ATOM 2086 CZ3 TRP A 141 11.401 -13.371 0.967 1.00 0.00 C ATOM 2087 CH2 TRP A 141 12.430 -14.301 0.774 1.00 0.00 C ATOM 0 H TRP A 141 7.531 -16.060 -1.375 1.00 0.00 H new ATOM 0 HA TRP A 141 5.569 -14.437 0.144 1.00 0.00 H new ATOM 0 HB2 TRP A 141 7.199 -14.616 2.014 1.00 0.00 H new ATOM 0 HB3 TRP A 141 6.534 -16.168 1.546 1.00 0.00 H new ATOM 0 HD1 TRP A 141 8.245 -18.037 0.864 1.00 0.00 H new ATOM 0 HE1 TRP A 141 10.813 -18.172 0.585 1.00 0.00 H new ATOM 0 HE3 TRP A 141 9.296 -13.049 1.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 12.964 -16.357 0.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 11.642 -12.321 1.040 1.00 0.00 H new ATOM 0 HH2 TRP A 141 13.450 -13.954 0.699 1.00 0.00 H new ATOM 2098 N CYS A 142 7.326 -12.465 0.439 1.00 0.00 N ATOM 2099 CA CYS A 142 8.036 -11.213 0.202 1.00 0.00 C ATOM 2100 C CYS A 142 8.326 -10.494 1.514 1.00 0.00 C ATOM 2101 O CYS A 142 7.639 -10.705 2.514 1.00 0.00 O ATOM 2102 CB CYS A 142 7.220 -10.305 -0.718 1.00 0.00 C ATOM 2103 SG CYS A 142 5.514 -10.009 -0.150 1.00 0.00 S ATOM 0 H CYS A 142 6.787 -12.487 1.305 1.00 0.00 H new ATOM 0 HA CYS A 142 8.985 -11.450 -0.280 1.00 0.00 H new ATOM 0 HB2 CYS A 142 7.731 -9.347 -0.812 1.00 0.00 H new ATOM 0 HB3 CYS A 142 7.188 -10.748 -1.713 1.00 0.00 H new ATOM 2108 N GLY A 143 9.344 -9.641 1.502 1.00 0.00 N ATOM 2109 CA GLY A 143 9.702 -8.901 2.695 1.00 0.00 C ATOM 2110 C GLY A 143 8.627 -7.916 3.107 1.00 0.00 C ATOM 2111 O GLY A 143 8.061 -7.217 2.266 1.00 0.00 O ATOM 0 H GLY A 143 9.927 -9.450 0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 143 9.884 -9.599 3.512 1.00 0.00 H new ATOM 0 HA3 GLY A 143 10.635 -8.365 2.521 1.00 0.00 H new ATOM 2115 N THR A 144 8.343 -7.860 4.402 1.00 0.00 N ATOM 2116 CA THR A 144 7.326 -6.952 4.922 1.00 0.00 C ATOM 2117 C THR A 144 7.899 -5.554 5.137 1.00 0.00 C ATOM 2118 O THR A 144 7.257 -4.696 5.743 1.00 0.00 O ATOM 2119 CB THR A 144 6.732 -7.463 6.249 1.00 0.00 C ATOM 2120 OG1 THR A 144 6.179 -6.369 6.991 1.00 0.00 O ATOM 2121 CG2 THR A 144 7.790 -8.164 7.087 1.00 0.00 C ATOM 0 H THR A 144 8.801 -8.432 5.112 1.00 0.00 H new ATOM 0 HA THR A 144 6.532 -6.908 4.176 1.00 0.00 H new ATOM 0 HB THR A 144 5.946 -8.180 6.014 1.00 0.00 H new ATOM 0 HG1 THR A 144 5.973 -5.631 6.380 1.00 0.00 H new ATOM 0 HG21 THR A 144 7.344 -8.514 8.018 1.00 0.00 H new ATOM 0 HG22 THR A 144 8.189 -9.014 6.533 1.00 0.00 H new ATOM 0 HG23 THR A 144 8.597 -7.467 7.312 1.00 0.00 H new ATOM 2129 N THR A 145 9.107 -5.332 4.631 1.00 0.00 N ATOM 2130 CA THR A 145 9.767 -4.040 4.762 1.00 0.00 C ATOM 2131 C THR A 145 10.588 -3.721 3.516 1.00 0.00 C ATOM 2132 O THR A 145 10.452 -4.383 2.487 1.00 0.00 O ATOM 2133 CB THR A 145 10.687 -4.000 5.996 1.00 0.00 C ATOM 2134 OG1 THR A 145 11.779 -4.911 5.824 1.00 0.00 O ATOM 2135 CG2 THR A 145 9.915 -4.358 7.257 1.00 0.00 C ATOM 0 H THR A 145 9.649 -6.032 4.125 1.00 0.00 H new ATOM 0 HA THR A 145 8.984 -3.292 4.883 1.00 0.00 H new ATOM 0 HB THR A 145 11.074 -2.986 6.101 1.00 0.00 H new ATOM 0 HG1 THR A 145 12.602 -4.503 6.165 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.585 -4.323 8.116 1.00 0.00 H new ATOM 0 HG22 THR A 145 9.103 -3.645 7.401 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.503 -5.362 7.159 1.00 0.00 H new ATOM 2143 N GLN A 146 11.440 -2.705 3.612 1.00 0.00 N ATOM 2144 CA GLN A 146 12.279 -2.305 2.489 1.00 0.00 C ATOM 2145 C GLN A 146 13.549 -3.151 2.423 1.00 0.00 C ATOM 2146 O GLN A 146 14.429 -2.901 1.599 1.00 0.00 O ATOM 2147 CB GLN A 146 12.643 -0.824 2.599 1.00 0.00 C ATOM 2148 CG GLN A 146 13.179 -0.232 1.305 1.00 0.00 C ATOM 2149 CD GLN A 146 12.998 1.271 1.232 1.00 0.00 C ATOM 2150 OE1 GLN A 146 13.217 1.982 2.212 1.00 0.00 O ATOM 2151 NE2 GLN A 146 12.596 1.763 0.066 1.00 0.00 N ATOM 0 H GLN A 146 11.567 -2.145 4.455 1.00 0.00 H new ATOM 0 HA GLN A 146 11.712 -2.466 1.572 1.00 0.00 H new ATOM 0 HB2 GLN A 146 11.761 -0.263 2.907 1.00 0.00 H new ATOM 0 HB3 GLN A 146 13.390 -0.699 3.383 1.00 0.00 H new ATOM 0 HG2 GLN A 146 14.238 -0.471 1.212 1.00 0.00 H new ATOM 0 HG3 GLN A 146 12.671 -0.697 0.460 1.00 0.00 H new ATOM 0 HE21 GLN A 146 12.426 1.136 -0.721 1.00 0.00 H new ATOM 0 HE22 GLN A 146 12.457 2.768 -0.043 1.00 0.00 H new ATOM 2160 N ASN A 147 13.636 -4.150 3.295 1.00 0.00 N ATOM 2161 CA ASN A 147 14.798 -5.033 3.335 1.00 0.00 C ATOM 2162 C ASN A 147 14.461 -6.334 4.059 1.00 0.00 C ATOM 2163 O ASN A 147 14.654 -6.452 5.269 1.00 0.00 O ATOM 2164 CB ASN A 147 15.971 -4.338 4.028 1.00 0.00 C ATOM 2165 CG ASN A 147 15.972 -2.838 3.804 1.00 0.00 C ATOM 2166 OD1 ASN A 147 15.125 -2.129 4.541 1.00 0.00 O flip ATOM 2167 ND2 ASN A 147 16.725 -2.322 2.977 1.00 0.00 N flip ATOM 0 H ASN A 147 12.916 -4.369 3.984 1.00 0.00 H new ATOM 0 HA ASN A 147 15.083 -5.269 2.310 1.00 0.00 H new ATOM 0 HB2 ASN A 147 15.929 -4.542 5.098 1.00 0.00 H new ATOM 0 HB3 ASN A 147 16.907 -4.758 3.659 1.00 0.00 H new ATOM 0 HD21 ASN A 147 17.360 -2.905 2.432 1.00 0.00 H new ATOM 0 HD22 ASN A 147 16.713 -1.312 2.837 1.00 0.00 H new ATOM 2174 N TYR A 148 13.952 -7.304 3.308 1.00 0.00 N ATOM 2175 CA TYR A 148 13.579 -8.598 3.872 1.00 0.00 C ATOM 2176 C TYR A 148 14.701 -9.176 4.730 1.00 0.00 C ATOM 2177 O TYR A 148 14.617 -9.180 5.958 1.00 0.00 O ATOM 2178 CB TYR A 148 13.220 -9.576 2.752 1.00 0.00 C ATOM 2179 CG TYR A 148 13.236 -11.025 3.178 1.00 0.00 C ATOM 2180 CD1 TYR A 148 12.484 -11.461 4.262 1.00 0.00 C ATOM 2181 CD2 TYR A 148 14.002 -11.961 2.494 1.00 0.00 C ATOM 2182 CE1 TYR A 148 12.496 -12.787 4.652 1.00 0.00 C ATOM 2183 CE2 TYR A 148 14.019 -13.287 2.876 1.00 0.00 C ATOM 2184 CZ TYR A 148 13.264 -13.697 3.955 1.00 0.00 C ATOM 2185 OH TYR A 148 13.279 -15.018 4.339 1.00 0.00 O ATOM 0 H TYR A 148 13.788 -7.219 2.305 1.00 0.00 H new ATOM 0 HA TYR A 148 12.710 -8.446 4.512 1.00 0.00 H new ATOM 0 HB2 TYR A 148 12.229 -9.330 2.372 1.00 0.00 H new ATOM 0 HB3 TYR A 148 13.920 -9.442 1.927 1.00 0.00 H new ATOM 0 HD1 TYR A 148 11.880 -10.752 4.809 1.00 0.00 H new ATOM 0 HD2 TYR A 148 14.595 -11.645 1.648 1.00 0.00 H new ATOM 0 HE1 TYR A 148 11.907 -13.109 5.498 1.00 0.00 H new ATOM 0 HE2 TYR A 148 14.621 -14.000 2.333 1.00 0.00 H new ATOM 0 HH TYR A 148 13.869 -15.525 3.743 1.00 0.00 H new ATOM 2195 N ASP A 149 15.747 -9.670 4.075 1.00 0.00 N ATOM 2196 CA ASP A 149 16.883 -10.258 4.777 1.00 0.00 C ATOM 2197 C ASP A 149 17.382 -9.341 5.890 1.00 0.00 C ATOM 2198 O ASP A 149 18.041 -9.792 6.826 1.00 0.00 O ATOM 2199 CB ASP A 149 18.019 -10.550 3.797 1.00 0.00 C ATOM 2200 CG ASP A 149 19.262 -11.074 4.490 1.00 0.00 C ATOM 2201 OD1 ASP A 149 19.304 -12.284 4.797 1.00 0.00 O ATOM 2202 OD2 ASP A 149 20.192 -10.274 4.726 1.00 0.00 O ATOM 0 H ASP A 149 15.832 -9.675 3.059 1.00 0.00 H new ATOM 0 HA ASP A 149 16.548 -11.192 5.228 1.00 0.00 H new ATOM 0 HB2 ASP A 149 17.682 -11.280 3.062 1.00 0.00 H new ATOM 0 HB3 ASP A 149 18.267 -9.640 3.252 1.00 0.00 H new ATOM 2207 N ALA A 150 17.066 -8.055 5.783 1.00 0.00 N ATOM 2208 CA ALA A 150 17.487 -7.083 6.784 1.00 0.00 C ATOM 2209 C ALA A 150 16.501 -7.032 7.944 1.00 0.00 C ATOM 2210 O ALA A 150 16.812 -6.507 9.014 1.00 0.00 O ATOM 2211 CB ALA A 150 17.636 -5.708 6.152 1.00 0.00 C ATOM 0 H ALA A 150 16.521 -7.663 5.015 1.00 0.00 H new ATOM 0 HA ALA A 150 18.454 -7.395 7.177 1.00 0.00 H new ATOM 0 HB1 ALA A 150 17.951 -4.991 6.910 1.00 0.00 H new ATOM 0 HB2 ALA A 150 18.384 -5.751 5.360 1.00 0.00 H new ATOM 0 HB3 ALA A 150 16.680 -5.395 5.732 1.00 0.00 H new ATOM 2217 N ASP A 151 15.312 -7.582 7.725 1.00 0.00 N ATOM 2218 CA ASP A 151 14.280 -7.602 8.754 1.00 0.00 C ATOM 2219 C ASP A 151 13.907 -9.035 9.119 1.00 0.00 C ATOM 2220 O ASP A 151 13.254 -9.278 10.135 1.00 0.00 O ATOM 2221 CB ASP A 151 13.039 -6.845 8.275 1.00 0.00 C ATOM 2222 CG ASP A 151 12.470 -5.934 9.344 1.00 0.00 C ATOM 2223 OD1 ASP A 151 12.063 -6.448 10.407 1.00 0.00 O ATOM 2224 OD2 ASP A 151 12.430 -4.706 9.119 1.00 0.00 O ATOM 0 H ASP A 151 15.039 -8.020 6.845 1.00 0.00 H new ATOM 0 HA ASP A 151 14.676 -7.110 9.643 1.00 0.00 H new ATOM 0 HB2 ASP A 151 13.294 -6.254 7.396 1.00 0.00 H new ATOM 0 HB3 ASP A 151 12.276 -7.561 7.968 1.00 0.00 H new ATOM 2229 N GLN A 152 14.324 -9.981 8.283 1.00 0.00 N ATOM 2230 CA GLN A 152 14.035 -11.391 8.517 1.00 0.00 C ATOM 2231 C GLN A 152 12.530 -11.630 8.594 1.00 0.00 C ATOM 2232 O GLN A 152 12.081 -12.677 9.062 1.00 0.00 O ATOM 2233 CB GLN A 152 14.704 -11.864 9.808 1.00 0.00 C ATOM 2234 CG GLN A 152 16.055 -11.215 10.067 1.00 0.00 C ATOM 2235 CD GLN A 152 17.078 -11.554 9.002 1.00 0.00 C ATOM 2236 OE1 GLN A 152 16.859 -12.438 8.173 1.00 0.00 O ATOM 2237 NE2 GLN A 152 18.205 -10.852 9.018 1.00 0.00 N ATOM 0 H GLN A 152 14.863 -9.796 7.437 1.00 0.00 H new ATOM 0 HA GLN A 152 14.435 -11.962 7.679 1.00 0.00 H new ATOM 0 HB2 GLN A 152 14.042 -11.654 10.648 1.00 0.00 H new ATOM 0 HB3 GLN A 152 14.832 -12.946 9.766 1.00 0.00 H new ATOM 0 HG2 GLN A 152 15.931 -10.133 10.115 1.00 0.00 H new ATOM 0 HG3 GLN A 152 16.428 -11.537 11.039 1.00 0.00 H new ATOM 0 HE21 GLN A 152 18.345 -10.128 9.723 1.00 0.00 H new ATOM 0 HE22 GLN A 152 18.931 -11.036 8.325 1.00 0.00 H new ATOM 2246 N LYS A 153 11.757 -10.654 8.131 1.00 0.00 N ATOM 2247 CA LYS A 153 10.304 -10.759 8.145 1.00 0.00 C ATOM 2248 C LYS A 153 9.764 -11.035 6.746 1.00 0.00 C ATOM 2249 O LYS A 153 9.776 -10.159 5.881 1.00 0.00 O ATOM 2250 CB LYS A 153 9.686 -9.472 8.696 1.00 0.00 C ATOM 2251 CG LYS A 153 10.222 -9.074 10.061 1.00 0.00 C ATOM 2252 CD LYS A 153 9.182 -8.314 10.866 1.00 0.00 C ATOM 2253 CE LYS A 153 9.359 -8.539 12.359 1.00 0.00 C ATOM 2254 NZ LYS A 153 9.433 -9.987 12.697 1.00 0.00 N ATOM 0 H LYS A 153 12.113 -9.781 7.741 1.00 0.00 H new ATOM 0 HA LYS A 153 10.031 -11.593 8.791 1.00 0.00 H new ATOM 0 HB2 LYS A 153 9.870 -8.660 7.992 1.00 0.00 H new ATOM 0 HB3 LYS A 153 8.605 -9.597 8.762 1.00 0.00 H new ATOM 0 HG2 LYS A 153 10.527 -9.966 10.608 1.00 0.00 H new ATOM 0 HG3 LYS A 153 11.112 -8.456 9.938 1.00 0.00 H new ATOM 0 HD2 LYS A 153 9.257 -7.249 10.646 1.00 0.00 H new ATOM 0 HD3 LYS A 153 8.184 -8.632 10.565 1.00 0.00 H new ATOM 0 HE2 LYS A 153 10.268 -8.041 12.696 1.00 0.00 H new ATOM 0 HE3 LYS A 153 8.527 -8.083 12.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 9.100 -10.133 13.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 8.833 -10.528 12.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 10.417 -10.313 12.615 1.00 0.00 H new ATOM 2268 N PHE A 154 9.290 -12.257 6.531 1.00 0.00 N ATOM 2269 CA PHE A 154 8.744 -12.647 5.236 1.00 0.00 C ATOM 2270 C PHE A 154 7.221 -12.714 5.291 1.00 0.00 C ATOM 2271 O PHE A 154 6.638 -12.884 6.362 1.00 0.00 O ATOM 2272 CB PHE A 154 9.313 -14.000 4.804 1.00 0.00 C ATOM 2273 CG PHE A 154 8.890 -15.140 5.684 1.00 0.00 C ATOM 2274 CD1 PHE A 154 7.625 -15.694 5.564 1.00 0.00 C ATOM 2275 CD2 PHE A 154 9.757 -15.659 6.633 1.00 0.00 C ATOM 2276 CE1 PHE A 154 7.233 -16.743 6.373 1.00 0.00 C ATOM 2277 CE2 PHE A 154 9.371 -16.708 7.444 1.00 0.00 C ATOM 2278 CZ PHE A 154 8.107 -17.251 7.314 1.00 0.00 C ATOM 0 H PHE A 154 9.273 -12.994 7.236 1.00 0.00 H new ATOM 0 HA PHE A 154 9.032 -11.893 4.504 1.00 0.00 H new ATOM 0 HB2 PHE A 154 8.999 -14.206 3.781 1.00 0.00 H new ATOM 0 HB3 PHE A 154 10.401 -13.941 4.798 1.00 0.00 H new ATOM 0 HD1 PHE A 154 6.938 -15.301 4.829 1.00 0.00 H new ATOM 0 HD2 PHE A 154 10.746 -15.238 6.739 1.00 0.00 H new ATOM 0 HE1 PHE A 154 6.244 -17.165 6.270 1.00 0.00 H new ATOM 0 HE2 PHE A 154 10.056 -17.104 8.179 1.00 0.00 H new ATOM 0 HZ PHE A 154 7.803 -18.071 7.947 1.00 0.00 H new ATOM 2288 N GLY A 155 6.582 -12.572 4.135 1.00 0.00 N ATOM 2289 CA GLY A 155 5.133 -12.614 4.082 1.00 0.00 C ATOM 2290 C GLY A 155 4.607 -13.287 2.831 1.00 0.00 C ATOM 2291 O GLY A 155 5.186 -13.151 1.753 1.00 0.00 O ATOM 0 H GLY A 155 7.041 -12.429 3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 155 4.758 -13.143 4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 155 4.743 -11.597 4.133 1.00 0.00 H new ATOM 2295 N PHE A 156 3.501 -14.011 2.974 1.00 0.00 N ATOM 2296 CA PHE A 156 2.889 -14.703 1.847 1.00 0.00 C ATOM 2297 C PHE A 156 1.925 -13.778 1.110 1.00 0.00 C ATOM 2298 O PHE A 156 0.980 -13.255 1.700 1.00 0.00 O ATOM 2299 CB PHE A 156 2.148 -15.953 2.328 1.00 0.00 C ATOM 2300 CG PHE A 156 3.039 -16.958 3.000 1.00 0.00 C ATOM 2301 CD1 PHE A 156 4.156 -17.458 2.349 1.00 0.00 C ATOM 2302 CD2 PHE A 156 2.761 -17.401 4.284 1.00 0.00 C ATOM 2303 CE1 PHE A 156 4.978 -18.382 2.966 1.00 0.00 C ATOM 2304 CE2 PHE A 156 3.580 -18.325 4.905 1.00 0.00 C ATOM 2305 CZ PHE A 156 4.689 -18.816 4.245 1.00 0.00 C ATOM 0 H PHE A 156 3.011 -14.133 3.860 1.00 0.00 H new ATOM 0 HA PHE A 156 3.680 -15.004 1.160 1.00 0.00 H new ATOM 0 HB2 PHE A 156 1.362 -15.655 3.022 1.00 0.00 H new ATOM 0 HB3 PHE A 156 1.659 -16.426 1.476 1.00 0.00 H new ATOM 0 HD1 PHE A 156 4.386 -17.122 1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 156 1.895 -17.020 4.805 1.00 0.00 H new ATOM 0 HE1 PHE A 156 5.845 -18.764 2.449 1.00 0.00 H new ATOM 0 HE2 PHE A 156 3.353 -18.663 5.905 1.00 0.00 H new ATOM 0 HZ PHE A 156 5.330 -19.539 4.728 1.00 0.00 H new ATOM 2315 N CYS A 157 2.174 -13.575 -0.179 1.00 0.00 N ATOM 2316 CA CYS A 157 1.327 -12.706 -0.991 1.00 0.00 C ATOM 2317 C CYS A 157 0.463 -13.519 -1.948 1.00 0.00 C ATOM 2318 O CYS A 157 0.646 -14.726 -2.096 1.00 0.00 O ATOM 2319 CB CYS A 157 2.180 -11.708 -1.780 1.00 0.00 C ATOM 2320 SG CYS A 157 3.949 -12.133 -1.866 1.00 0.00 S ATOM 0 H CYS A 157 2.953 -13.998 -0.684 1.00 0.00 H new ATOM 0 HA CYS A 157 0.671 -12.157 -0.316 1.00 0.00 H new ATOM 0 HB2 CYS A 157 1.787 -11.635 -2.794 1.00 0.00 H new ATOM 0 HB3 CYS A 157 2.077 -10.722 -1.326 1.00 0.00 H new ATOM 2325 N PRO A 158 -0.494 -12.855 -2.612 1.00 0.00 N ATOM 2326 CA PRO A 158 -1.398 -13.508 -3.564 1.00 0.00 C ATOM 2327 C PRO A 158 -0.672 -13.995 -4.812 1.00 0.00 C ATOM 2328 O PRO A 158 0.557 -14.080 -4.836 1.00 0.00 O ATOM 2329 CB PRO A 158 -2.398 -12.405 -3.925 1.00 0.00 C ATOM 2330 CG PRO A 158 -1.676 -11.131 -3.649 1.00 0.00 C ATOM 2331 CD PRO A 158 -0.768 -11.413 -2.485 1.00 0.00 C ATOM 0 HA PRO A 158 -1.861 -14.398 -3.137 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -2.699 -12.471 -4.971 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -3.306 -12.483 -3.327 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -1.105 -10.809 -4.520 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -2.376 -10.329 -3.413 1.00 0.00 H new ATOM 0 HD2 PRO A 158 0.147 -10.823 -2.536 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -1.247 -11.176 -1.535 1.00 0.00 H new