USER MOD reduce.3.24.130724 H: found=0, std=0, add=1101, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1096 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 20 SER OG : rot 13:sc= 0.121 USER MOD Set 1.2: A 110 THR OG1 : rot 180:sc= -0.243 USER MOD Set 1.3: A 112 ASN : amide:sc= -4.22 X(o=-4.3,f=-4.6!) USER MOD Set 2.1: A 70 TYR OH : rot -112:sc= 1.27 USER MOD Set 2.2: A 115 HIS : no HE2:sc= -3.56! K(o=-2.3!,f=-9.6) USER MOD Set 3.1: A 9 ASN : amide:sc= -0.141 K(o=-0.29,f=-1.9) USER MOD Set 3.2: A 47 HIS : no HD1:sc= -0.153 X(o=-0.29,f=-0.058) USER MOD Set 4.1: A 8 CYS SG : rot 8:sc= -0.16 USER MOD Set 4.2: A 124 GLN : amide:sc= -0.324 K(o=-0.48,f=-3.1!) USER MOD Set 5.1: A 2 SER OG : rot 180:sc= 0.409 USER MOD Set 5.2: A 3 HIS : no HD1:sc= -0.0208 X(o=0.39,f=0.24) USER MOD Set 5.3: A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.4: A 49 LYS NZ :NH3+ -127:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 179:sc= 0 (180deg=-0.00199) USER MOD Single : A 14 ASN : amide:sc= -0.343 K(o=-0.34,f=-1.7!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -143:sc= -0.495 (180deg=-1.82!) USER MOD Single : A 22 THR OG1 : rot 5:sc= 1.02 USER MOD Single : A 25 GLN : amide:sc= -0.0617 X(o=-0.062,f=-0.19) USER MOD Single : A 28 SER OG : rot -160:sc= -1.01 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 71:sc= 0.249 USER MOD Single : A 40 THR OG1 : rot -135:sc= 0.282 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 110:sc= 0.198 USER MOD Single : A 53 GLN : amide:sc= -0.658 X(o=-0.66,f=-0.26) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 28:sc= -0.225 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=0.56) USER MOD Single : A 61 GLN : amide:sc= -0.184 K(o=-0.18,f=-2.6!) USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00642) USER MOD Single : A 69 HIS : no HD1:sc= -0.0253 X(o=-0.025,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.0821 X(o=-0.082,f=-0.29!) USER MOD Single : A 74 THR OG1 : rot 160:sc= -0.573 USER MOD Single : A 76 THR OG1 : rot 180:sc= -1.95! USER MOD Single : A 78 CYS SG : rot 150:sc= -2.29 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.709 USER MOD Single : A 89 LYS NZ :NH3+ 151:sc= 0.642 (180deg=0.266) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 75:sc= 0.0523 USER MOD Single : A 97 LYS NZ :NH3+ 166:sc= -0.0133 (180deg=-0.226) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -0.0167 K(o=-0.017,f=-0.72) USER MOD Single : A 108 SER OG : rot -69:sc= 0.0175 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 CYS SG : rot -150:sc=-0.00536 USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl 177:sc= 0 (180deg=-0.0102) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 142 GLN : amide:sc= -0.105 K(o=-0.11,f=-1.3!) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.281 -9.559 -20.563 1.00 0.00 N ATOM 2 CA GLY A 1 0.923 -10.798 -20.059 1.00 0.00 C ATOM 3 C GLY A 1 1.705 -10.629 -18.739 1.00 0.00 C ATOM 4 O GLY A 1 2.776 -11.203 -18.557 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.206 -9.760 -21.459 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.408 -9.216 -19.864 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.007 -8.831 -20.720 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.154 -11.557 -19.915 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.603 -11.175 -20.823 1.00 0.00 H new ATOM 9 N SER A 2 1.118 -9.842 -17.838 1.00 0.00 N ATOM 10 CA SER A 2 1.731 -9.437 -16.555 1.00 0.00 C ATOM 11 C SER A 2 0.673 -8.873 -15.586 1.00 0.00 C ATOM 12 O SER A 2 0.117 -9.603 -14.766 1.00 0.00 O ATOM 13 CB SER A 2 2.896 -8.451 -16.787 1.00 0.00 C ATOM 14 OG SER A 2 2.468 -7.304 -17.541 1.00 0.00 O ATOM 0 H SER A 2 0.184 -9.456 -17.974 1.00 0.00 H new ATOM 0 HA SER A 2 2.152 -10.324 -16.082 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.298 -8.128 -15.827 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.703 -8.957 -17.317 1.00 0.00 H new ATOM 0 HG SER A 2 3.226 -6.697 -17.671 1.00 0.00 H new ATOM 20 N HIS A 3 0.341 -7.600 -15.771 1.00 0.00 N ATOM 21 CA HIS A 3 -0.656 -6.864 -14.976 1.00 0.00 C ATOM 22 C HIS A 3 -1.721 -6.225 -15.883 1.00 0.00 C ATOM 23 O HIS A 3 -1.388 -5.532 -16.844 1.00 0.00 O ATOM 24 CB HIS A 3 0.040 -5.843 -14.067 1.00 0.00 C ATOM 25 CG HIS A 3 0.940 -4.824 -14.810 1.00 0.00 C ATOM 26 ND1 HIS A 3 0.564 -3.624 -15.187 1.00 0.00 N ATOM 27 CD2 HIS A 3 2.182 -5.038 -15.208 1.00 0.00 C ATOM 28 CE1 HIS A 3 1.594 -3.074 -15.860 1.00 0.00 C ATOM 29 NE2 HIS A 3 2.586 -3.950 -15.870 1.00 0.00 N ATOM 0 H HIS A 3 0.767 -7.027 -16.499 1.00 0.00 H new ATOM 0 HA HIS A 3 -1.184 -7.564 -14.329 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.720 -5.297 -13.508 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.647 -6.380 -13.338 1.00 0.00 H new ATOM 0 HD2 HIS A 3 2.764 -5.930 -15.030 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.607 -2.093 -16.311 1.00 0.00 H new ATOM 0 HE2 HIS A 3 3.498 -3.818 -16.306 1.00 0.00 H new ATOM 37 N MET A 4 -2.973 -6.561 -15.587 1.00 0.00 N ATOM 38 CA MET A 4 -4.178 -6.117 -16.329 1.00 0.00 C ATOM 39 C MET A 4 -5.446 -6.560 -15.579 1.00 0.00 C ATOM 40 O MET A 4 -5.554 -7.712 -15.159 1.00 0.00 O ATOM 41 CB MET A 4 -4.183 -6.731 -17.741 1.00 0.00 C ATOM 42 CG MET A 4 -5.349 -6.284 -18.636 1.00 0.00 C ATOM 43 SD MET A 4 -4.894 -5.108 -19.962 1.00 0.00 S ATOM 44 CE MET A 4 -5.077 -3.546 -19.127 1.00 0.00 C ATOM 0 H MET A 4 -3.198 -7.170 -14.800 1.00 0.00 H new ATOM 0 HA MET A 4 -4.161 -5.030 -16.407 1.00 0.00 H new ATOM 0 HB2 MET A 4 -3.246 -6.476 -18.236 1.00 0.00 H new ATOM 0 HB3 MET A 4 -4.210 -7.817 -17.649 1.00 0.00 H new ATOM 0 HG2 MET A 4 -5.798 -7.167 -19.091 1.00 0.00 H new ATOM 0 HG3 MET A 4 -6.114 -5.825 -18.010 1.00 0.00 H new ATOM 0 HE1 MET A 4 -4.832 -2.736 -19.814 1.00 0.00 H new ATOM 0 HE2 MET A 4 -6.106 -3.434 -18.786 1.00 0.00 H new ATOM 0 HE3 MET A 4 -4.405 -3.511 -18.270 1.00 0.00 H new ATOM 54 N GLY A 5 -6.362 -5.598 -15.406 1.00 0.00 N ATOM 55 CA GLY A 5 -7.692 -5.863 -14.817 1.00 0.00 C ATOM 56 C GLY A 5 -8.144 -4.743 -13.872 1.00 0.00 C ATOM 57 O GLY A 5 -9.095 -4.021 -14.155 1.00 0.00 O ATOM 0 H GLY A 5 -6.210 -4.623 -15.665 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -8.424 -5.979 -15.616 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.664 -6.806 -14.272 1.00 0.00 H new ATOM 61 N ALA A 6 -7.403 -4.609 -12.778 1.00 0.00 N ATOM 62 CA ALA A 6 -7.600 -3.535 -11.782 1.00 0.00 C ATOM 63 C ALA A 6 -6.618 -2.382 -12.046 1.00 0.00 C ATOM 64 O ALA A 6 -5.622 -2.576 -12.740 1.00 0.00 O ATOM 65 CB ALA A 6 -7.385 -4.105 -10.377 1.00 0.00 C ATOM 0 H ALA A 6 -6.639 -5.243 -12.545 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.615 -3.147 -11.862 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.529 -3.316 -9.638 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.101 -4.907 -10.196 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.372 -4.498 -10.295 1.00 0.00 H new ATOM 71 N ALA A 7 -6.948 -1.199 -11.527 1.00 0.00 N ATOM 72 CA ALA A 7 -6.168 0.053 -11.669 1.00 0.00 C ATOM 73 C ALA A 7 -6.869 1.206 -10.937 1.00 0.00 C ATOM 74 O ALA A 7 -7.970 1.618 -11.301 1.00 0.00 O ATOM 75 CB ALA A 7 -5.954 0.473 -13.134 1.00 0.00 C ATOM 0 H ALA A 7 -7.795 -1.071 -10.974 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.192 -0.154 -11.230 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.376 1.397 -13.167 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.413 -0.312 -13.662 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.921 0.633 -13.612 1.00 0.00 H new ATOM 81 N CYS A 8 -6.325 1.519 -9.771 1.00 0.00 N ATOM 82 CA CYS A 8 -6.810 2.642 -8.944 1.00 0.00 C ATOM 83 C CYS A 8 -5.692 3.655 -8.660 1.00 0.00 C ATOM 84 O CYS A 8 -4.534 3.414 -8.982 1.00 0.00 O ATOM 85 CB CYS A 8 -7.441 2.094 -7.660 1.00 0.00 C ATOM 86 SG CYS A 8 -8.954 1.123 -8.012 1.00 0.00 S ATOM 0 H CYS A 8 -5.539 1.013 -9.363 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.577 3.187 -9.495 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.719 1.466 -7.138 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.686 2.921 -6.993 1.00 0.00 H new ATOM 0 HG CYS A 8 -9.082 0.969 -9.297 1.00 0.00 H new ATOM 92 N ASN A 9 -6.059 4.776 -8.062 1.00 0.00 N ATOM 93 CA ASN A 9 -5.119 5.853 -7.699 1.00 0.00 C ATOM 94 C ASN A 9 -4.970 5.954 -6.188 1.00 0.00 C ATOM 95 O ASN A 9 -5.948 5.958 -5.431 1.00 0.00 O ATOM 96 CB ASN A 9 -5.598 7.211 -8.204 1.00 0.00 C ATOM 97 CG ASN A 9 -5.555 7.334 -9.722 1.00 0.00 C ATOM 98 OD1 ASN A 9 -4.904 6.578 -10.421 1.00 0.00 O ATOM 99 ND2 ASN A 9 -6.356 8.224 -10.255 1.00 0.00 N ATOM 0 H ASN A 9 -7.026 4.978 -7.807 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.166 5.600 -8.164 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.619 7.380 -7.861 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.980 7.994 -7.764 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -6.441 8.291 -11.269 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.894 8.850 -9.656 1.00 0.00 H new ATOM 106 N VAL A 10 -3.706 6.001 -5.795 1.00 0.00 N ATOM 107 CA VAL A 10 -3.308 6.079 -4.379 1.00 0.00 C ATOM 108 C VAL A 10 -2.120 7.051 -4.236 1.00 0.00 C ATOM 109 O VAL A 10 -1.354 7.270 -5.172 1.00 0.00 O ATOM 110 CB VAL A 10 -3.049 4.689 -3.723 1.00 0.00 C ATOM 111 CG1 VAL A 10 -3.997 3.578 -4.195 1.00 0.00 C ATOM 112 CG2 VAL A 10 -1.609 4.179 -3.766 1.00 0.00 C ATOM 0 H VAL A 10 -2.918 5.987 -6.443 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.151 6.476 -3.813 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.267 4.918 -2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.746 2.646 -3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.025 3.853 -3.960 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.894 3.445 -5.272 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.553 3.205 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.287 4.086 -4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.958 4.882 -3.246 1.00 0.00 H new ATOM 122 N LEU A 11 -1.961 7.560 -3.027 1.00 0.00 N ATOM 123 CA LEU A 11 -0.798 8.382 -2.659 1.00 0.00 C ATOM 124 C LEU A 11 0.282 7.525 -2.003 1.00 0.00 C ATOM 125 O LEU A 11 -0.002 6.761 -1.086 1.00 0.00 O ATOM 126 CB LEU A 11 -1.202 9.544 -1.748 1.00 0.00 C ATOM 127 CG LEU A 11 -1.787 10.732 -2.522 1.00 0.00 C ATOM 128 CD1 LEU A 11 -2.269 11.790 -1.536 1.00 0.00 C ATOM 129 CD2 LEU A 11 -0.744 11.392 -3.423 1.00 0.00 C ATOM 0 H LEU A 11 -2.627 7.422 -2.267 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.388 8.809 -3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.936 9.192 -1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.331 9.877 -1.184 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.603 10.349 -3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.685 12.635 -2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.036 11.363 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.431 12.129 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.199 12.229 -3.953 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.085 11.755 -2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.373 10.664 -4.144 1.00 0.00 H new ATOM 141 N PHE A 12 1.381 7.419 -2.731 1.00 0.00 N ATOM 142 CA PHE A 12 2.621 6.754 -2.306 1.00 0.00 C ATOM 143 C PHE A 12 3.275 7.559 -1.183 1.00 0.00 C ATOM 144 O PHE A 12 3.678 8.705 -1.376 1.00 0.00 O ATOM 145 CB PHE A 12 3.583 6.640 -3.495 1.00 0.00 C ATOM 146 CG PHE A 12 4.983 6.169 -3.101 1.00 0.00 C ATOM 147 CD1 PHE A 12 5.176 4.921 -2.520 1.00 0.00 C ATOM 148 CD2 PHE A 12 6.066 7.027 -3.272 1.00 0.00 C ATOM 149 CE1 PHE A 12 6.444 4.518 -2.134 1.00 0.00 C ATOM 150 CE2 PHE A 12 7.332 6.628 -2.880 1.00 0.00 C ATOM 151 CZ PHE A 12 7.527 5.369 -2.313 1.00 0.00 C ATOM 0 H PHE A 12 1.446 7.806 -3.673 1.00 0.00 H new ATOM 0 HA PHE A 12 2.387 5.754 -1.941 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.166 5.946 -4.225 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.659 7.610 -3.986 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.333 4.262 -2.369 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.918 8.003 -3.710 1.00 0.00 H new ATOM 0 HE1 PHE A 12 6.590 3.543 -1.694 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.172 7.294 -3.014 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.517 5.057 -2.014 1.00 0.00 H new ATOM 161 N ILE A 13 3.278 6.933 -0.019 1.00 0.00 N ATOM 162 CA ILE A 13 3.920 7.512 1.171 1.00 0.00 C ATOM 163 C ILE A 13 5.424 7.183 1.123 1.00 0.00 C ATOM 164 O ILE A 13 6.238 8.081 0.931 1.00 0.00 O ATOM 165 CB ILE A 13 3.157 7.053 2.431 1.00 0.00 C ATOM 166 CG1 ILE A 13 1.884 7.851 2.707 1.00 0.00 C ATOM 167 CG2 ILE A 13 3.983 7.233 3.694 1.00 0.00 C ATOM 168 CD1 ILE A 13 0.752 7.762 1.693 1.00 0.00 C ATOM 0 H ILE A 13 2.845 6.023 0.138 1.00 0.00 H new ATOM 0 HA ILE A 13 3.865 8.600 1.199 1.00 0.00 H new ATOM 0 HB ILE A 13 2.929 6.009 2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.493 7.532 3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.162 8.900 2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.407 6.897 4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.898 6.645 3.617 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.237 8.286 3.815 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.082 8.380 2.024 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.103 8.115 0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.424 6.726 1.604 1.00 0.00 H new ATOM 180 N ASN A 14 5.742 5.921 1.420 1.00 0.00 N ATOM 181 CA ASN A 14 7.113 5.370 1.466 1.00 0.00 C ATOM 182 C ASN A 14 7.115 3.913 1.940 1.00 0.00 C ATOM 183 O ASN A 14 6.099 3.412 2.415 1.00 0.00 O ATOM 184 CB ASN A 14 8.013 6.166 2.421 1.00 0.00 C ATOM 185 CG ASN A 14 9.220 6.727 1.672 1.00 0.00 C ATOM 186 OD1 ASN A 14 9.619 6.275 0.600 1.00 0.00 O ATOM 187 ND2 ASN A 14 9.866 7.693 2.273 1.00 0.00 N ATOM 0 H ASN A 14 5.032 5.224 1.644 1.00 0.00 H new ATOM 0 HA ASN A 14 7.497 5.437 0.448 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.446 6.981 2.871 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.349 5.523 3.235 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.711 8.080 1.853 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.525 8.059 3.162 1.00 0.00 H new ATOM 194 N SER A 15 8.285 3.292 1.878 1.00 0.00 N ATOM 195 CA SER A 15 8.497 1.925 2.385 1.00 0.00 C ATOM 196 C SER A 15 9.411 1.964 3.609 1.00 0.00 C ATOM 197 O SER A 15 10.405 2.685 3.654 1.00 0.00 O ATOM 198 CB SER A 15 9.128 1.016 1.326 1.00 0.00 C ATOM 199 OG SER A 15 10.311 1.596 0.775 1.00 0.00 O ATOM 0 H SER A 15 9.121 3.715 1.476 1.00 0.00 H new ATOM 0 HA SER A 15 7.520 1.519 2.649 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.368 0.050 1.771 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.408 0.830 0.529 1.00 0.00 H new ATOM 0 HG SER A 15 10.690 0.991 0.104 1.00 0.00 H new ATOM 205 N VAL A 16 8.973 1.236 4.623 1.00 0.00 N ATOM 206 CA VAL A 16 9.715 1.144 5.894 1.00 0.00 C ATOM 207 C VAL A 16 10.033 -0.315 6.226 1.00 0.00 C ATOM 208 O VAL A 16 9.168 -1.193 6.184 1.00 0.00 O ATOM 209 CB VAL A 16 9.012 1.862 7.063 1.00 0.00 C ATOM 210 CG1 VAL A 16 8.945 3.377 6.847 1.00 0.00 C ATOM 211 CG2 VAL A 16 7.603 1.336 7.301 1.00 0.00 C ATOM 0 H VAL A 16 8.108 0.696 4.602 1.00 0.00 H new ATOM 0 HA VAL A 16 10.655 1.677 5.752 1.00 0.00 H new ATOM 0 HB VAL A 16 9.620 1.651 7.943 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.442 3.843 7.694 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.955 3.777 6.760 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.390 3.590 5.933 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.150 1.873 8.134 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.003 1.485 6.404 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.646 0.272 7.536 1.00 0.00 H new ATOM 221 N GLU A 17 11.326 -0.558 6.373 1.00 0.00 N ATOM 222 CA GLU A 17 11.848 -1.896 6.699 1.00 0.00 C ATOM 223 C GLU A 17 11.388 -2.337 8.089 1.00 0.00 C ATOM 224 O GLU A 17 11.640 -1.683 9.097 1.00 0.00 O ATOM 225 CB GLU A 17 13.373 -2.031 6.553 1.00 0.00 C ATOM 226 CG GLU A 17 14.200 -0.984 7.308 1.00 0.00 C ATOM 227 CD GLU A 17 14.547 0.202 6.406 1.00 0.00 C ATOM 228 OE1 GLU A 17 13.659 1.070 6.240 1.00 0.00 O ATOM 229 OE2 GLU A 17 15.650 0.154 5.824 1.00 0.00 O ATOM 0 H GLU A 17 12.048 0.156 6.272 1.00 0.00 H new ATOM 0 HA GLU A 17 11.424 -2.567 5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.668 -3.021 6.899 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.626 -1.975 5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.642 -0.633 8.176 1.00 0.00 H new ATOM 0 HG3 GLU A 17 15.117 -1.441 7.681 1.00 0.00 H new ATOM 236 N MET A 18 10.622 -3.410 8.064 1.00 0.00 N ATOM 237 CA MET A 18 10.082 -4.048 9.277 1.00 0.00 C ATOM 238 C MET A 18 11.103 -4.950 9.967 1.00 0.00 C ATOM 239 O MET A 18 10.918 -5.311 11.123 1.00 0.00 O ATOM 240 CB MET A 18 8.805 -4.835 8.959 1.00 0.00 C ATOM 241 CG MET A 18 7.729 -3.957 8.309 1.00 0.00 C ATOM 242 SD MET A 18 7.552 -2.252 8.968 1.00 0.00 S ATOM 243 CE MET A 18 7.221 -2.505 10.701 1.00 0.00 C ATOM 0 H MET A 18 10.347 -3.877 7.200 1.00 0.00 H new ATOM 0 HA MET A 18 9.839 -3.244 9.971 1.00 0.00 H new ATOM 0 HB2 MET A 18 9.047 -5.663 8.293 1.00 0.00 H new ATOM 0 HB3 MET A 18 8.410 -5.270 9.877 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.943 -3.890 7.242 1.00 0.00 H new ATOM 0 HG3 MET A 18 6.769 -4.463 8.411 1.00 0.00 H new ATOM 0 HE1 MET A 18 6.502 -1.762 11.046 1.00 0.00 H new ATOM 0 HE2 MET A 18 6.811 -3.504 10.851 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.147 -2.404 11.267 1.00 0.00 H new ATOM 253 N GLU A 19 12.108 -5.380 9.195 1.00 0.00 N ATOM 254 CA GLU A 19 13.150 -6.337 9.621 1.00 0.00 C ATOM 255 C GLU A 19 12.559 -7.702 10.028 1.00 0.00 C ATOM 256 O GLU A 19 13.095 -8.392 10.891 1.00 0.00 O ATOM 257 CB GLU A 19 13.948 -5.745 10.791 1.00 0.00 C ATOM 258 CG GLU A 19 15.421 -5.526 10.462 1.00 0.00 C ATOM 259 CD GLU A 19 16.200 -5.281 11.757 1.00 0.00 C ATOM 260 OE1 GLU A 19 15.900 -4.271 12.433 1.00 0.00 O ATOM 261 OE2 GLU A 19 17.089 -6.112 12.042 1.00 0.00 O ATOM 0 H GLU A 19 12.227 -5.067 8.231 1.00 0.00 H new ATOM 0 HA GLU A 19 13.807 -6.508 8.768 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.502 -4.794 11.083 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.869 -6.411 11.650 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.822 -6.396 9.942 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.532 -4.674 9.791 1.00 0.00 H new ATOM 268 N SER A 20 11.459 -8.058 9.353 1.00 0.00 N ATOM 269 CA SER A 20 10.646 -9.275 9.589 1.00 0.00 C ATOM 270 C SER A 20 9.892 -9.167 10.923 1.00 0.00 C ATOM 271 O SER A 20 10.360 -9.563 11.989 1.00 0.00 O ATOM 272 CB SER A 20 11.514 -10.534 9.633 1.00 0.00 C ATOM 273 OG SER A 20 11.168 -11.563 8.713 1.00 0.00 O ATOM 0 H SER A 20 11.089 -7.487 8.593 1.00 0.00 H new ATOM 0 HA SER A 20 9.943 -9.352 8.759 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.549 -10.244 9.451 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.471 -10.946 10.641 1.00 0.00 H new ATOM 0 HG SER A 20 10.538 -11.211 8.050 1.00 0.00 H new ATOM 279 N LEU A 21 8.711 -8.568 10.827 1.00 0.00 N ATOM 280 CA LEU A 21 7.842 -8.380 12.001 1.00 0.00 C ATOM 281 C LEU A 21 6.832 -9.538 12.084 1.00 0.00 C ATOM 282 O LEU A 21 7.185 -10.607 12.573 1.00 0.00 O ATOM 283 CB LEU A 21 7.238 -6.962 11.975 1.00 0.00 C ATOM 284 CG LEU A 21 7.567 -6.069 13.189 1.00 0.00 C ATOM 285 CD1 LEU A 21 6.806 -6.516 14.438 1.00 0.00 C ATOM 286 CD2 LEU A 21 9.068 -5.994 13.491 1.00 0.00 C ATOM 0 H LEU A 21 8.327 -8.203 9.956 1.00 0.00 H new ATOM 0 HA LEU A 21 8.404 -8.429 12.934 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.583 -6.457 11.073 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.154 -7.051 11.896 1.00 0.00 H new ATOM 0 HG LEU A 21 7.240 -5.067 12.913 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.063 -5.864 15.273 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.734 -6.460 14.250 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.079 -7.543 14.682 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.234 -5.351 14.355 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.447 -6.994 13.705 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.593 -5.584 12.628 1.00 0.00 H new ATOM 298 N THR A 22 5.715 -9.415 11.364 1.00 0.00 N ATOM 299 CA THR A 22 4.635 -10.434 11.303 1.00 0.00 C ATOM 300 C THR A 22 3.681 -10.100 10.138 1.00 0.00 C ATOM 301 O THR A 22 4.037 -10.309 8.981 1.00 0.00 O ATOM 302 CB THR A 22 3.956 -10.622 12.688 1.00 0.00 C ATOM 303 OG1 THR A 22 4.866 -11.290 13.559 1.00 0.00 O ATOM 304 CG2 THR A 22 2.655 -11.435 12.711 1.00 0.00 C ATOM 0 H THR A 22 5.521 -8.593 10.792 1.00 0.00 H new ATOM 0 HA THR A 22 5.049 -11.417 11.080 1.00 0.00 H new ATOM 0 HB THR A 22 3.694 -9.609 12.994 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.727 -11.405 13.106 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.281 -11.494 13.733 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.911 -10.949 12.080 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.848 -12.440 12.336 1.00 0.00 H new ATOM 312 N GLY A 23 2.600 -9.371 10.451 1.00 0.00 N ATOM 313 CA GLY A 23 1.562 -9.005 9.470 1.00 0.00 C ATOM 314 C GLY A 23 0.623 -7.948 10.074 1.00 0.00 C ATOM 315 O GLY A 23 0.940 -6.764 9.919 1.00 0.00 O ATOM 0 H GLY A 23 2.419 -9.017 11.390 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.026 -8.617 8.564 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.992 -9.889 9.183 1.00 0.00 H new ATOM 319 N PRO A 24 -0.344 -8.354 10.920 1.00 0.00 N ATOM 320 CA PRO A 24 -1.275 -7.429 11.609 1.00 0.00 C ATOM 321 C PRO A 24 -0.636 -6.646 12.777 1.00 0.00 C ATOM 322 O PRO A 24 -1.174 -6.535 13.873 1.00 0.00 O ATOM 323 CB PRO A 24 -2.436 -8.331 12.038 1.00 0.00 C ATOM 324 CG PRO A 24 -1.751 -9.660 12.353 1.00 0.00 C ATOM 325 CD PRO A 24 -0.668 -9.754 11.278 1.00 0.00 C ATOM 0 HA PRO A 24 -1.600 -6.620 10.954 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.956 -7.930 12.908 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.176 -8.438 11.245 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.325 -9.666 13.356 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.448 -10.496 12.297 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.212 -10.277 11.652 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.024 -10.309 10.410 1.00 0.00 H new ATOM 333 N GLN A 25 0.530 -6.079 12.484 1.00 0.00 N ATOM 334 CA GLN A 25 1.348 -5.262 13.406 1.00 0.00 C ATOM 335 C GLN A 25 2.235 -4.281 12.628 1.00 0.00 C ATOM 336 O GLN A 25 2.172 -3.076 12.865 1.00 0.00 O ATOM 337 CB GLN A 25 2.238 -6.158 14.279 1.00 0.00 C ATOM 338 CG GLN A 25 2.934 -5.374 15.401 1.00 0.00 C ATOM 339 CD GLN A 25 1.954 -4.858 16.460 1.00 0.00 C ATOM 340 OE1 GLN A 25 1.041 -5.539 16.907 1.00 0.00 O ATOM 341 NE2 GLN A 25 2.137 -3.639 16.907 1.00 0.00 N ATOM 0 H GLN A 25 0.958 -6.173 11.563 1.00 0.00 H new ATOM 0 HA GLN A 25 0.664 -4.700 14.042 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.633 -6.952 14.716 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.991 -6.638 13.654 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.675 -6.014 15.880 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.472 -4.531 14.969 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.897 -3.069 16.536 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.519 -3.261 17.625 1.00 0.00 H new ATOM 350 N ALA A 26 2.884 -4.798 11.581 1.00 0.00 N ATOM 351 CA ALA A 26 3.742 -4.013 10.679 1.00 0.00 C ATOM 352 C ALA A 26 2.930 -2.933 9.962 1.00 0.00 C ATOM 353 O ALA A 26 3.369 -1.801 9.920 1.00 0.00 O ATOM 354 CB ALA A 26 4.402 -4.938 9.656 1.00 0.00 C ATOM 0 H ALA A 26 2.830 -5.785 11.330 1.00 0.00 H new ATOM 0 HA ALA A 26 4.514 -3.524 11.273 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.036 -4.352 8.991 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.009 -5.680 10.175 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.632 -5.443 9.072 1.00 0.00 H new ATOM 360 N ILE A 27 1.655 -3.214 9.710 1.00 0.00 N ATOM 361 CA ILE A 27 0.711 -2.240 9.132 1.00 0.00 C ATOM 362 C ILE A 27 0.534 -1.022 10.060 1.00 0.00 C ATOM 363 O ILE A 27 0.737 0.088 9.598 1.00 0.00 O ATOM 364 CB ILE A 27 -0.618 -2.941 8.818 1.00 0.00 C ATOM 365 CG1 ILE A 27 -0.375 -4.132 7.884 1.00 0.00 C ATOM 366 CG2 ILE A 27 -1.574 -1.974 8.119 1.00 0.00 C ATOM 367 CD1 ILE A 27 -1.322 -5.288 8.192 1.00 0.00 C ATOM 0 H ILE A 27 1.238 -4.125 9.899 1.00 0.00 H new ATOM 0 HA ILE A 27 1.114 -1.852 8.196 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.053 -3.281 9.758 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.509 -3.817 6.849 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.657 -4.469 7.984 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.513 -2.484 7.902 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.767 -1.120 8.768 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.125 -1.628 7.188 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.121 -6.115 7.510 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.170 -5.619 9.219 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.353 -4.957 8.067 1.00 0.00 H new ATOM 379 N SER A 28 0.463 -1.246 11.372 1.00 0.00 N ATOM 380 CA SER A 28 0.313 -0.143 12.347 1.00 0.00 C ATOM 381 C SER A 28 1.670 0.477 12.692 1.00 0.00 C ATOM 382 O SER A 28 1.847 1.675 12.502 1.00 0.00 O ATOM 383 CB SER A 28 -0.374 -0.609 13.633 1.00 0.00 C ATOM 384 OG SER A 28 -0.579 0.520 14.486 1.00 0.00 O ATOM 0 H SER A 28 0.506 -2.174 11.792 1.00 0.00 H new ATOM 0 HA SER A 28 -0.316 0.610 11.872 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.327 -1.083 13.400 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.239 -1.356 14.138 1.00 0.00 H new ATOM 0 HG SER A 28 -0.714 0.214 15.407 1.00 0.00 H new ATOM 390 N LYS A 29 2.663 -0.368 12.976 1.00 0.00 N ATOM 391 CA LYS A 29 4.035 0.074 13.276 1.00 0.00 C ATOM 392 C LYS A 29 4.624 0.905 12.121 1.00 0.00 C ATOM 393 O LYS A 29 4.912 2.064 12.362 1.00 0.00 O ATOM 394 CB LYS A 29 4.913 -1.120 13.660 1.00 0.00 C ATOM 395 CG LYS A 29 6.079 -0.646 14.533 1.00 0.00 C ATOM 396 CD LYS A 29 6.708 -1.807 15.308 1.00 0.00 C ATOM 397 CE LYS A 29 7.765 -1.314 16.303 1.00 0.00 C ATOM 398 NZ LYS A 29 7.230 -1.075 17.655 1.00 0.00 N ATOM 0 H LYS A 29 2.543 -1.380 13.006 1.00 0.00 H new ATOM 0 HA LYS A 29 4.005 0.738 14.140 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.321 -1.860 14.198 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.293 -1.607 12.762 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.835 -0.173 13.906 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.726 0.111 15.233 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.930 -2.352 15.843 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.164 -2.507 14.608 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.568 -2.049 16.363 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.205 -0.391 15.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.995 -0.744 18.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.483 -0.353 17.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.834 -1.959 18.033 1.00 0.00 H new ATOM 412 N ALA A 30 4.430 0.462 10.880 1.00 0.00 N ATOM 413 CA ALA A 30 4.790 1.207 9.650 1.00 0.00 C ATOM 414 C ALA A 30 3.961 2.478 9.434 1.00 0.00 C ATOM 415 O ALA A 30 4.519 3.552 9.219 1.00 0.00 O ATOM 416 CB ALA A 30 4.590 0.320 8.425 1.00 0.00 C ATOM 0 H ALA A 30 4.008 -0.446 10.685 1.00 0.00 H new ATOM 0 HA ALA A 30 5.833 1.497 9.780 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.857 0.876 7.526 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.224 -0.563 8.508 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.546 0.013 8.365 1.00 0.00 H new ATOM 422 N VAL A 31 2.640 2.363 9.601 1.00 0.00 N ATOM 423 CA VAL A 31 1.702 3.505 9.529 1.00 0.00 C ATOM 424 C VAL A 31 2.142 4.607 10.510 1.00 0.00 C ATOM 425 O VAL A 31 2.285 5.760 10.121 1.00 0.00 O ATOM 426 CB VAL A 31 0.272 2.977 9.784 1.00 0.00 C ATOM 427 CG1 VAL A 31 -0.689 3.953 10.466 1.00 0.00 C ATOM 428 CG2 VAL A 31 -0.367 2.539 8.465 1.00 0.00 C ATOM 0 H VAL A 31 2.181 1.472 9.792 1.00 0.00 H new ATOM 0 HA VAL A 31 1.708 3.967 8.542 1.00 0.00 H new ATOM 0 HB VAL A 31 0.416 2.149 10.478 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.661 3.477 10.594 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.291 4.234 11.441 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.800 4.845 9.849 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.374 2.168 8.654 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.415 3.389 7.784 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.232 1.747 8.016 1.00 0.00 H new ATOM 438 N ALA A 32 2.457 4.176 11.728 1.00 0.00 N ATOM 439 CA ALA A 32 2.931 5.030 12.827 1.00 0.00 C ATOM 440 C ALA A 32 4.363 5.527 12.588 1.00 0.00 C ATOM 441 O ALA A 32 4.603 6.717 12.744 1.00 0.00 O ATOM 442 CB ALA A 32 2.824 4.279 14.156 1.00 0.00 C ATOM 0 H ALA A 32 2.389 3.193 11.992 1.00 0.00 H new ATOM 0 HA ALA A 32 2.293 5.913 12.868 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.177 4.919 14.965 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.784 4.006 14.337 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.434 3.377 14.114 1.00 0.00 H new ATOM 448 N GLU A 33 5.186 4.697 11.945 1.00 0.00 N ATOM 449 CA GLU A 33 6.562 5.037 11.519 1.00 0.00 C ATOM 450 C GLU A 33 6.575 6.210 10.534 1.00 0.00 C ATOM 451 O GLU A 33 7.525 6.985 10.523 1.00 0.00 O ATOM 452 CB GLU A 33 7.264 3.840 10.865 1.00 0.00 C ATOM 453 CG GLU A 33 7.740 2.820 11.901 1.00 0.00 C ATOM 454 CD GLU A 33 9.241 2.900 12.169 1.00 0.00 C ATOM 455 OE1 GLU A 33 9.662 3.883 12.816 1.00 0.00 O ATOM 456 OE2 GLU A 33 9.928 1.957 11.721 1.00 0.00 O ATOM 0 H GLU A 33 4.916 3.745 11.696 1.00 0.00 H new ATOM 0 HA GLU A 33 7.099 5.320 12.424 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.581 3.356 10.167 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.117 4.192 10.284 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.201 2.979 12.835 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.491 1.816 11.556 1.00 0.00 H new ATOM 463 N THR A 34 5.477 6.357 9.797 1.00 0.00 N ATOM 464 CA THR A 34 5.355 7.456 8.827 1.00 0.00 C ATOM 465 C THR A 34 4.428 8.594 9.270 1.00 0.00 C ATOM 466 O THR A 34 4.717 9.762 9.027 1.00 0.00 O ATOM 467 CB THR A 34 4.953 6.949 7.446 1.00 0.00 C ATOM 468 OG1 THR A 34 5.499 5.649 7.193 1.00 0.00 O ATOM 469 CG2 THR A 34 5.591 7.927 6.467 1.00 0.00 C ATOM 0 H THR A 34 4.666 5.741 9.847 1.00 0.00 H new ATOM 0 HA THR A 34 6.355 7.886 8.772 1.00 0.00 H new ATOM 0 HB THR A 34 3.869 6.881 7.358 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.044 4.988 7.756 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.348 7.631 5.447 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.209 8.931 6.654 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.673 7.920 6.599 1.00 0.00 H new ATOM 477 N LEU A 35 3.369 8.257 9.996 1.00 0.00 N ATOM 478 CA LEU A 35 2.497 9.255 10.645 1.00 0.00 C ATOM 479 C LEU A 35 3.233 10.130 11.664 1.00 0.00 C ATOM 480 O LEU A 35 2.806 11.244 11.957 1.00 0.00 O ATOM 481 CB LEU A 35 1.317 8.530 11.291 1.00 0.00 C ATOM 482 CG LEU A 35 0.020 8.651 10.483 1.00 0.00 C ATOM 483 CD1 LEU A 35 0.204 8.481 8.974 1.00 0.00 C ATOM 484 CD2 LEU A 35 -0.918 7.554 10.961 1.00 0.00 C ATOM 0 H LEU A 35 3.083 7.291 10.157 1.00 0.00 H new ATOM 0 HA LEU A 35 2.142 9.942 9.877 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.567 7.476 11.409 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.154 8.933 12.291 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.366 9.658 10.643 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.761 8.581 8.476 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.885 9.246 8.602 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.619 7.495 8.767 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.855 7.609 10.406 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.455 6.581 10.795 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.118 7.684 12.025 1.00 0.00 H new ATOM 496 N VAL A 36 4.327 9.565 12.166 1.00 0.00 N ATOM 497 CA VAL A 36 5.261 10.261 13.067 1.00 0.00 C ATOM 498 C VAL A 36 6.543 10.714 12.350 1.00 0.00 C ATOM 499 O VAL A 36 7.208 11.591 12.890 1.00 0.00 O ATOM 500 CB VAL A 36 5.587 9.463 14.354 1.00 0.00 C ATOM 501 CG1 VAL A 36 4.320 8.946 15.047 1.00 0.00 C ATOM 502 CG2 VAL A 36 6.644 8.359 14.196 1.00 0.00 C ATOM 0 H VAL A 36 4.599 8.603 11.962 1.00 0.00 H new ATOM 0 HA VAL A 36 4.730 11.158 13.387 1.00 0.00 H new ATOM 0 HB VAL A 36 6.060 10.196 15.008 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.596 8.392 15.944 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.686 9.789 15.321 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.776 8.289 14.368 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.798 7.863 15.154 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.302 7.631 13.461 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.583 8.800 13.861 1.00 0.00 H new ATOM 512 N ALA A 37 6.930 10.024 11.261 1.00 0.00 N ATOM 513 CA ALA A 37 8.134 10.320 10.449 1.00 0.00 C ATOM 514 C ALA A 37 8.294 11.829 10.279 1.00 0.00 C ATOM 515 O ALA A 37 7.385 12.507 9.811 1.00 0.00 O ATOM 516 CB ALA A 37 8.062 9.682 9.058 1.00 0.00 C ATOM 0 H ALA A 37 6.403 9.224 10.909 1.00 0.00 H new ATOM 0 HA ALA A 37 8.987 9.899 10.982 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.965 9.926 8.499 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.978 8.600 9.158 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.191 10.066 8.526 1.00 0.00 H new ATOM 522 N ASP A 38 9.211 12.324 11.100 1.00 0.00 N ATOM 523 CA ASP A 38 9.450 13.763 11.204 1.00 0.00 C ATOM 524 C ASP A 38 10.901 14.075 10.812 1.00 0.00 C ATOM 525 O ASP A 38 11.817 13.638 11.508 1.00 0.00 O ATOM 526 CB ASP A 38 9.074 14.293 12.596 1.00 0.00 C ATOM 527 CG ASP A 38 8.948 15.822 12.632 1.00 0.00 C ATOM 528 OD1 ASP A 38 8.678 16.416 11.560 1.00 0.00 O ATOM 529 OD2 ASP A 38 9.163 16.382 13.727 1.00 0.00 O ATOM 0 H ASP A 38 9.802 11.753 11.704 1.00 0.00 H new ATOM 0 HA ASP A 38 8.801 14.289 10.504 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.129 13.847 12.907 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.828 13.977 13.317 1.00 0.00 H new ATOM 534 N PRO A 39 11.048 14.746 9.664 1.00 0.00 N ATOM 535 CA PRO A 39 9.955 15.197 8.776 1.00 0.00 C ATOM 536 C PRO A 39 9.316 14.055 7.964 1.00 0.00 C ATOM 537 O PRO A 39 9.912 12.990 7.803 1.00 0.00 O ATOM 538 CB PRO A 39 10.597 16.269 7.897 1.00 0.00 C ATOM 539 CG PRO A 39 12.051 15.809 7.785 1.00 0.00 C ATOM 540 CD PRO A 39 12.358 15.194 9.151 1.00 0.00 C ATOM 0 HA PRO A 39 9.111 15.588 9.345 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.118 16.328 6.920 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.522 17.258 8.349 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.178 15.081 6.983 1.00 0.00 H new ATOM 0 HG3 PRO A 39 12.717 16.644 7.566 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.055 14.360 9.062 1.00 0.00 H new ATOM 0 HD3 PRO A 39 12.817 15.923 9.819 1.00 0.00 H new ATOM 548 N THR A 40 8.046 14.251 7.625 1.00 0.00 N ATOM 549 CA THR A 40 7.271 13.233 6.881 1.00 0.00 C ATOM 550 C THR A 40 7.539 13.305 5.365 1.00 0.00 C ATOM 551 O THR A 40 7.744 14.406 4.848 1.00 0.00 O ATOM 552 CB THR A 40 5.774 13.274 7.255 1.00 0.00 C ATOM 553 OG1 THR A 40 5.252 11.961 7.067 1.00 0.00 O ATOM 554 CG2 THR A 40 4.909 14.279 6.482 1.00 0.00 C ATOM 0 H THR A 40 7.523 15.098 7.847 1.00 0.00 H new ATOM 0 HA THR A 40 7.623 12.249 7.190 1.00 0.00 H new ATOM 0 HB THR A 40 5.727 13.619 8.288 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.391 12.015 6.602 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.878 14.216 6.831 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.287 15.288 6.648 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.946 14.048 5.417 1.00 0.00 H new ATOM 562 N PRO A 41 7.630 12.158 4.682 1.00 0.00 N ATOM 563 CA PRO A 41 7.782 12.131 3.217 1.00 0.00 C ATOM 564 C PRO A 41 6.501 12.607 2.525 1.00 0.00 C ATOM 565 O PRO A 41 5.400 12.529 3.070 1.00 0.00 O ATOM 566 CB PRO A 41 8.137 10.684 2.878 1.00 0.00 C ATOM 567 CG PRO A 41 7.482 9.884 4.000 1.00 0.00 C ATOM 568 CD PRO A 41 7.647 10.785 5.226 1.00 0.00 C ATOM 0 HA PRO A 41 8.559 12.810 2.865 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.751 10.395 1.901 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.216 10.531 2.853 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.432 9.682 3.789 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.969 8.919 4.142 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.840 10.632 5.942 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.581 10.577 5.749 1.00 0.00 H new ATOM 576 N THR A 42 6.704 13.165 1.341 1.00 0.00 N ATOM 577 CA THR A 42 5.607 13.683 0.501 1.00 0.00 C ATOM 578 C THR A 42 4.897 12.507 -0.182 1.00 0.00 C ATOM 579 O THR A 42 5.518 11.533 -0.601 1.00 0.00 O ATOM 580 CB THR A 42 6.160 14.715 -0.498 1.00 0.00 C ATOM 581 OG1 THR A 42 6.705 15.796 0.264 1.00 0.00 O ATOM 582 CG2 THR A 42 5.123 15.266 -1.489 1.00 0.00 C ATOM 0 H THR A 42 7.629 13.277 0.926 1.00 0.00 H new ATOM 0 HA THR A 42 4.866 14.201 1.109 1.00 0.00 H new ATOM 0 HB THR A 42 6.906 14.208 -1.111 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.069 16.473 -0.343 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.601 15.985 -2.154 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.711 14.446 -2.078 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.320 15.758 -0.940 1.00 0.00 H new ATOM 590 N ALA A 43 3.579 12.635 -0.228 1.00 0.00 N ATOM 591 CA ALA A 43 2.706 11.655 -0.888 1.00 0.00 C ATOM 592 C ALA A 43 2.639 11.925 -2.399 1.00 0.00 C ATOM 593 O ALA A 43 2.316 13.030 -2.835 1.00 0.00 O ATOM 594 CB ALA A 43 1.327 11.736 -0.242 1.00 0.00 C ATOM 0 H ALA A 43 3.077 13.419 0.189 1.00 0.00 H new ATOM 0 HA ALA A 43 3.104 10.648 -0.764 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.660 11.016 -0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.409 11.509 0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.925 12.741 -0.368 1.00 0.00 H new ATOM 600 N THR A 44 2.953 10.884 -3.163 1.00 0.00 N ATOM 601 CA THR A 44 2.946 10.951 -4.644 1.00 0.00 C ATOM 602 C THR A 44 1.796 10.130 -5.244 1.00 0.00 C ATOM 603 O THR A 44 1.538 8.998 -4.852 1.00 0.00 O ATOM 604 CB THR A 44 4.317 10.527 -5.199 1.00 0.00 C ATOM 605 OG1 THR A 44 5.286 11.466 -4.725 1.00 0.00 O ATOM 606 CG2 THR A 44 4.381 10.484 -6.730 1.00 0.00 C ATOM 0 H THR A 44 3.219 9.972 -2.790 1.00 0.00 H new ATOM 0 HA THR A 44 2.769 11.984 -4.943 1.00 0.00 H new ATOM 0 HB THR A 44 4.510 9.511 -4.854 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.173 11.220 -5.062 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.379 10.177 -7.044 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.647 9.771 -7.105 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.163 11.474 -7.131 1.00 0.00 H new ATOM 614 N ILE A 45 1.182 10.695 -6.277 1.00 0.00 N ATOM 615 CA ILE A 45 0.036 10.071 -6.971 1.00 0.00 C ATOM 616 C ILE A 45 0.546 8.924 -7.859 1.00 0.00 C ATOM 617 O ILE A 45 1.338 9.129 -8.785 1.00 0.00 O ATOM 618 CB ILE A 45 -0.777 11.094 -7.784 1.00 0.00 C ATOM 619 CG1 ILE A 45 -1.177 12.299 -6.914 1.00 0.00 C ATOM 620 CG2 ILE A 45 -2.036 10.420 -8.350 1.00 0.00 C ATOM 621 CD1 ILE A 45 -1.544 13.550 -7.718 1.00 0.00 C ATOM 0 H ILE A 45 1.456 11.598 -6.665 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.646 9.669 -6.221 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.155 11.456 -8.603 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.025 12.018 -6.290 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.353 12.539 -6.242 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.610 11.146 -8.925 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.746 9.592 -8.997 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.647 10.043 -7.530 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.814 14.355 -7.035 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.690 13.858 -8.322 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.389 13.329 -8.370 1.00 0.00 H new ATOM 633 N VAL A 46 0.186 7.730 -7.416 1.00 0.00 N ATOM 634 CA VAL A 46 0.526 6.461 -8.089 1.00 0.00 C ATOM 635 C VAL A 46 -0.739 5.653 -8.423 1.00 0.00 C ATOM 636 O VAL A 46 -1.783 5.808 -7.792 1.00 0.00 O ATOM 637 CB VAL A 46 1.548 5.626 -7.286 1.00 0.00 C ATOM 638 CG1 VAL A 46 2.864 6.385 -7.089 1.00 0.00 C ATOM 639 CG2 VAL A 46 1.025 5.152 -5.929 1.00 0.00 C ATOM 0 H VAL A 46 -0.361 7.600 -6.565 1.00 0.00 H new ATOM 0 HA VAL A 46 1.012 6.717 -9.031 1.00 0.00 H new ATOM 0 HB VAL A 46 1.725 4.738 -7.893 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.559 5.767 -6.520 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.298 6.619 -8.061 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.673 7.310 -6.545 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.798 4.573 -5.424 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.762 6.016 -5.319 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.143 4.529 -6.076 1.00 0.00 H new ATOM 649 N HIS A 47 -0.572 4.736 -9.366 1.00 0.00 N ATOM 650 CA HIS A 47 -1.654 3.838 -9.808 1.00 0.00 C ATOM 651 C HIS A 47 -1.427 2.414 -9.287 1.00 0.00 C ATOM 652 O HIS A 47 -0.375 1.829 -9.528 1.00 0.00 O ATOM 653 CB HIS A 47 -1.780 3.838 -11.332 1.00 0.00 C ATOM 654 CG HIS A 47 -2.484 5.102 -11.891 1.00 0.00 C ATOM 655 ND1 HIS A 47 -3.534 5.059 -12.679 1.00 0.00 N ATOM 656 CD2 HIS A 47 -2.027 6.343 -11.849 1.00 0.00 C ATOM 657 CE1 HIS A 47 -3.735 6.305 -13.154 1.00 0.00 C ATOM 658 NE2 HIS A 47 -2.798 7.089 -12.649 1.00 0.00 N ATOM 0 H HIS A 47 0.312 4.586 -9.852 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.589 4.212 -9.391 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.786 3.761 -11.772 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.336 2.954 -11.643 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.183 6.692 -11.272 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.522 6.609 -13.828 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -2.683 8.085 -12.836 1.00 0.00 H new ATOM 666 N PHE A 48 -2.318 2.033 -8.382 1.00 0.00 N ATOM 667 CA PHE A 48 -2.387 0.720 -7.720 1.00 0.00 C ATOM 668 C PHE A 48 -3.067 -0.307 -8.637 1.00 0.00 C ATOM 669 O PHE A 48 -4.280 -0.278 -8.857 1.00 0.00 O ATOM 670 CB PHE A 48 -3.199 0.869 -6.433 1.00 0.00 C ATOM 671 CG PHE A 48 -2.699 -0.051 -5.321 1.00 0.00 C ATOM 672 CD1 PHE A 48 -1.706 0.409 -4.466 1.00 0.00 C ATOM 673 CD2 PHE A 48 -3.207 -1.330 -5.156 1.00 0.00 C ATOM 674 CE1 PHE A 48 -1.193 -0.406 -3.476 1.00 0.00 C ATOM 675 CE2 PHE A 48 -2.716 -2.146 -4.144 1.00 0.00 C ATOM 676 CZ PHE A 48 -1.704 -1.690 -3.305 1.00 0.00 C ATOM 0 H PHE A 48 -3.057 2.661 -8.066 1.00 0.00 H new ATOM 0 HA PHE A 48 -1.379 0.371 -7.497 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.151 1.904 -6.094 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.246 0.649 -6.640 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.331 1.416 -4.577 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.984 -1.692 -5.813 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.399 -0.049 -2.837 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.121 -3.138 -4.008 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.317 -2.329 -2.525 1.00 0.00 H new ATOM 686 N LYS A 49 -2.234 -1.155 -9.221 1.00 0.00 N ATOM 687 CA LYS A 49 -2.703 -2.214 -10.130 1.00 0.00 C ATOM 688 C LYS A 49 -2.522 -3.578 -9.459 1.00 0.00 C ATOM 689 O LYS A 49 -1.425 -3.933 -9.031 1.00 0.00 O ATOM 690 CB LYS A 49 -1.937 -2.118 -11.447 1.00 0.00 C ATOM 691 CG LYS A 49 -2.596 -2.947 -12.545 1.00 0.00 C ATOM 692 CD LYS A 49 -2.569 -2.138 -13.838 1.00 0.00 C ATOM 693 CE LYS A 49 -3.084 -2.953 -15.018 1.00 0.00 C ATOM 694 NZ LYS A 49 -2.621 -2.328 -16.262 1.00 0.00 N ATOM 0 H LYS A 49 -1.223 -1.138 -9.087 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.764 -2.091 -10.348 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.883 -1.076 -11.761 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.913 -2.460 -11.298 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.067 -3.891 -12.677 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.622 -3.192 -12.272 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.178 -1.242 -13.720 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.550 -1.807 -14.040 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.723 -3.979 -14.954 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.173 -2.997 -15.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.433 -2.160 -16.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.158 -1.422 -16.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.943 -2.958 -16.736 1.00 0.00 H new ATOM 708 N VAL A 50 -3.665 -4.212 -9.237 1.00 0.00 N ATOM 709 CA VAL A 50 -3.740 -5.516 -8.550 1.00 0.00 C ATOM 710 C VAL A 50 -4.065 -6.594 -9.589 1.00 0.00 C ATOM 711 O VAL A 50 -5.046 -6.509 -10.329 1.00 0.00 O ATOM 712 CB VAL A 50 -4.795 -5.514 -7.432 1.00 0.00 C ATOM 713 CG1 VAL A 50 -4.724 -6.800 -6.599 1.00 0.00 C ATOM 714 CG2 VAL A 50 -4.672 -4.297 -6.506 1.00 0.00 C ATOM 0 H VAL A 50 -4.573 -3.846 -9.524 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.779 -5.721 -8.078 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.762 -5.459 -7.931 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.482 -6.769 -5.816 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.902 -7.661 -7.243 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.737 -6.885 -6.145 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.441 -4.347 -5.735 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.688 -4.295 -6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.799 -3.383 -7.087 1.00 0.00 H new ATOM 724 N SER A 51 -3.046 -7.399 -9.826 1.00 0.00 N ATOM 725 CA SER A 51 -3.095 -8.503 -10.805 1.00 0.00 C ATOM 726 C SER A 51 -2.452 -9.751 -10.201 1.00 0.00 C ATOM 727 O SER A 51 -1.735 -9.635 -9.212 1.00 0.00 O ATOM 728 CB SER A 51 -2.361 -8.086 -12.081 1.00 0.00 C ATOM 729 OG SER A 51 -3.053 -6.975 -12.658 1.00 0.00 O ATOM 0 H SER A 51 -2.148 -7.316 -9.348 1.00 0.00 H new ATOM 0 HA SER A 51 -4.132 -8.729 -11.054 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.330 -7.814 -11.854 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.324 -8.917 -12.786 1.00 0.00 H new ATOM 0 HG SER A 51 -2.509 -6.165 -12.562 1.00 0.00 H new ATOM 735 N ALA A 52 -2.641 -10.900 -10.847 1.00 0.00 N ATOM 736 CA ALA A 52 -2.049 -12.184 -10.401 1.00 0.00 C ATOM 737 C ALA A 52 -0.541 -12.088 -10.100 1.00 0.00 C ATOM 738 O ALA A 52 -0.086 -12.548 -9.055 1.00 0.00 O ATOM 739 CB ALA A 52 -2.307 -13.259 -11.460 1.00 0.00 C ATOM 0 H ALA A 52 -3.205 -10.980 -11.693 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.533 -12.451 -9.462 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.872 -14.204 -11.133 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.381 -13.383 -11.599 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.852 -12.957 -12.403 1.00 0.00 H new ATOM 745 N GLN A 53 0.166 -11.320 -10.935 1.00 0.00 N ATOM 746 CA GLN A 53 1.581 -10.954 -10.720 1.00 0.00 C ATOM 747 C GLN A 53 1.875 -10.355 -9.332 1.00 0.00 C ATOM 748 O GLN A 53 2.706 -10.876 -8.591 1.00 0.00 O ATOM 749 CB GLN A 53 2.027 -9.973 -11.810 1.00 0.00 C ATOM 750 CG GLN A 53 2.706 -10.691 -12.980 1.00 0.00 C ATOM 751 CD GLN A 53 4.011 -11.354 -12.534 1.00 0.00 C ATOM 752 OE1 GLN A 53 5.038 -10.716 -12.338 1.00 0.00 O ATOM 753 NE2 GLN A 53 3.966 -12.638 -12.268 1.00 0.00 N ATOM 0 H GLN A 53 -0.227 -10.928 -11.791 1.00 0.00 H new ATOM 0 HA GLN A 53 2.147 -11.884 -10.773 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.162 -9.419 -12.176 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.715 -9.244 -11.383 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.033 -11.444 -13.389 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.911 -9.979 -13.779 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.108 -13.163 -12.434 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.789 -13.111 -11.896 1.00 0.00 H new ATOM 762 N GLY A 54 1.017 -9.407 -8.944 1.00 0.00 N ATOM 763 CA GLY A 54 1.102 -8.701 -7.657 1.00 0.00 C ATOM 764 C GLY A 54 0.472 -7.315 -7.774 1.00 0.00 C ATOM 765 O GLY A 54 -0.590 -7.121 -8.370 1.00 0.00 O ATOM 0 H GLY A 54 0.233 -9.103 -9.521 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.592 -9.276 -6.884 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.144 -8.610 -7.352 1.00 0.00 H new ATOM 769 N ILE A 55 1.207 -6.371 -7.207 1.00 0.00 N ATOM 770 CA ILE A 55 0.839 -4.952 -7.147 1.00 0.00 C ATOM 771 C ILE A 55 1.895 -4.152 -7.926 1.00 0.00 C ATOM 772 O ILE A 55 3.092 -4.293 -7.698 1.00 0.00 O ATOM 773 CB ILE A 55 0.774 -4.478 -5.679 1.00 0.00 C ATOM 774 CG1 ILE A 55 -0.029 -5.408 -4.747 1.00 0.00 C ATOM 775 CG2 ILE A 55 0.285 -3.027 -5.593 1.00 0.00 C ATOM 776 CD1 ILE A 55 -1.436 -5.800 -5.214 1.00 0.00 C ATOM 0 H ILE A 55 2.103 -6.569 -6.761 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.145 -4.799 -7.590 1.00 0.00 H new ATOM 0 HB ILE A 55 1.797 -4.524 -5.306 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.547 -6.321 -4.598 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.116 -4.924 -3.774 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.248 -2.717 -4.549 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.970 -2.379 -6.140 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.711 -2.952 -6.029 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.896 -6.454 -4.474 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.043 -4.903 -5.332 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.370 -6.322 -6.169 1.00 0.00 H new ATOM 788 N THR A 56 1.403 -3.203 -8.700 1.00 0.00 N ATOM 789 CA THR A 56 2.252 -2.357 -9.561 1.00 0.00 C ATOM 790 C THR A 56 1.831 -0.902 -9.365 1.00 0.00 C ATOM 791 O THR A 56 0.640 -0.601 -9.413 1.00 0.00 O ATOM 792 CB THR A 56 2.126 -2.808 -11.025 1.00 0.00 C ATOM 793 OG1 THR A 56 2.441 -4.204 -11.091 1.00 0.00 O ATOM 794 CG2 THR A 56 3.056 -2.034 -11.969 1.00 0.00 C ATOM 0 H THR A 56 0.408 -2.986 -8.760 1.00 0.00 H new ATOM 0 HA THR A 56 3.303 -2.454 -9.290 1.00 0.00 H new ATOM 0 HB THR A 56 1.105 -2.609 -11.352 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.365 -4.513 -12.018 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.923 -2.396 -12.988 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.815 -0.972 -11.927 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.091 -2.184 -11.663 1.00 0.00 H new ATOM 802 N LEU A 57 2.819 -0.111 -8.963 1.00 0.00 N ATOM 803 CA LEU A 57 2.668 1.326 -8.676 1.00 0.00 C ATOM 804 C LEU A 57 3.543 2.144 -9.620 1.00 0.00 C ATOM 805 O LEU A 57 4.723 1.856 -9.814 1.00 0.00 O ATOM 806 CB LEU A 57 3.105 1.604 -7.241 1.00 0.00 C ATOM 807 CG LEU A 57 2.270 0.760 -6.283 1.00 0.00 C ATOM 808 CD1 LEU A 57 3.124 0.365 -5.087 1.00 0.00 C ATOM 809 CD2 LEU A 57 1.022 1.529 -5.867 1.00 0.00 C ATOM 0 H LEU A 57 3.771 -0.450 -8.822 1.00 0.00 H new ATOM 0 HA LEU A 57 1.623 1.605 -8.814 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.163 1.371 -7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.983 2.662 -7.011 1.00 0.00 H new ATOM 0 HG LEU A 57 1.939 -0.154 -6.776 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.531 -0.238 -4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.983 -0.213 -5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.471 1.263 -4.575 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.431 0.920 -5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.314 2.454 -5.370 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.428 1.763 -6.750 1.00 0.00 H new ATOM 821 N THR A 58 2.904 3.164 -10.170 1.00 0.00 N ATOM 822 CA THR A 58 3.479 4.014 -11.231 1.00 0.00 C ATOM 823 C THR A 58 3.263 5.496 -10.898 1.00 0.00 C ATOM 824 O THR A 58 2.146 5.926 -10.606 1.00 0.00 O ATOM 825 CB THR A 58 2.858 3.673 -12.600 1.00 0.00 C ATOM 826 OG1 THR A 58 1.456 3.938 -12.591 1.00 0.00 O ATOM 827 CG2 THR A 58 3.052 2.206 -13.004 1.00 0.00 C ATOM 0 H THR A 58 1.960 3.438 -9.898 1.00 0.00 H new ATOM 0 HA THR A 58 4.550 3.820 -11.286 1.00 0.00 H new ATOM 0 HB THR A 58 3.377 4.302 -13.323 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.262 4.653 -11.950 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.592 2.033 -13.977 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.117 1.982 -13.062 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.585 1.559 -12.261 1.00 0.00 H new ATOM 835 N ASP A 59 4.377 6.198 -10.717 1.00 0.00 N ATOM 836 CA ASP A 59 4.376 7.643 -10.416 1.00 0.00 C ATOM 837 C ASP A 59 4.057 8.462 -11.677 1.00 0.00 C ATOM 838 O ASP A 59 4.904 8.612 -12.557 1.00 0.00 O ATOM 839 CB ASP A 59 5.731 8.074 -9.847 1.00 0.00 C ATOM 840 CG ASP A 59 6.104 7.362 -8.541 1.00 0.00 C ATOM 841 OD1 ASP A 59 6.426 6.162 -8.625 1.00 0.00 O ATOM 842 OD2 ASP A 59 6.044 8.022 -7.484 1.00 0.00 O ATOM 0 H ASP A 59 5.310 5.790 -10.773 1.00 0.00 H new ATOM 0 HA ASP A 59 3.603 7.831 -9.671 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.505 7.881 -10.590 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.717 9.150 -9.673 1.00 0.00 H new ATOM 847 N ASN A 60 2.814 8.919 -11.746 1.00 0.00 N ATOM 848 CA ASN A 60 2.354 9.762 -12.871 1.00 0.00 C ATOM 849 C ASN A 60 2.178 11.237 -12.491 1.00 0.00 C ATOM 850 O ASN A 60 2.185 12.105 -13.360 1.00 0.00 O ATOM 851 CB ASN A 60 1.047 9.209 -13.440 1.00 0.00 C ATOM 852 CG ASN A 60 0.967 9.399 -14.958 1.00 0.00 C ATOM 853 OD1 ASN A 60 1.387 10.376 -15.560 1.00 0.00 O ATOM 854 ND2 ASN A 60 0.417 8.409 -15.617 1.00 0.00 N ATOM 0 H ASN A 60 2.099 8.728 -11.045 1.00 0.00 H new ATOM 0 HA ASN A 60 3.137 9.726 -13.628 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.965 8.149 -13.201 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.203 9.709 -12.965 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.339 8.454 -16.633 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.067 7.594 -15.114 1.00 0.00 H new ATOM 861 N GLN A 61 2.138 11.510 -11.182 1.00 0.00 N ATOM 862 CA GLN A 61 2.015 12.870 -10.626 1.00 0.00 C ATOM 863 C GLN A 61 2.976 13.862 -11.318 1.00 0.00 C ATOM 864 O GLN A 61 2.527 14.818 -11.942 1.00 0.00 O ATOM 865 CB GLN A 61 2.267 12.818 -9.114 1.00 0.00 C ATOM 866 CG GLN A 61 2.071 14.192 -8.462 1.00 0.00 C ATOM 867 CD GLN A 61 3.237 14.619 -7.572 1.00 0.00 C ATOM 868 OE1 GLN A 61 4.299 14.003 -7.500 1.00 0.00 O ATOM 869 NE2 GLN A 61 3.049 15.719 -6.888 1.00 0.00 N ATOM 0 H GLN A 61 2.191 10.785 -10.466 1.00 0.00 H new ATOM 0 HA GLN A 61 1.005 13.235 -10.813 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.589 12.097 -8.656 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.281 12.466 -8.925 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.929 14.939 -9.243 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.158 14.176 -7.867 1.00 0.00 H new ATOM 0 HE21 GLN A 61 2.162 16.218 -6.959 1.00 0.00 H new ATOM 0 HE22 GLN A 61 3.789 16.077 -6.284 1.00 0.00 H new ATOM 878 N ARG A 62 4.275 13.635 -11.135 1.00 0.00 N ATOM 879 CA ARG A 62 5.310 14.478 -11.766 1.00 0.00 C ATOM 880 C ARG A 62 6.528 13.664 -12.236 1.00 0.00 C ATOM 881 O ARG A 62 7.663 14.129 -12.159 1.00 0.00 O ATOM 882 CB ARG A 62 5.717 15.533 -10.732 1.00 0.00 C ATOM 883 CG ARG A 62 5.988 16.888 -11.383 1.00 0.00 C ATOM 884 CD ARG A 62 4.798 17.825 -11.158 1.00 0.00 C ATOM 885 NE ARG A 62 5.061 19.138 -11.767 1.00 0.00 N ATOM 886 CZ ARG A 62 4.953 19.455 -13.064 1.00 0.00 C ATOM 887 NH1 ARG A 62 4.558 18.567 -13.969 1.00 0.00 N ATOM 888 NH2 ARG A 62 5.233 20.680 -13.470 1.00 0.00 N ATOM 0 H ARG A 62 4.644 12.879 -10.558 1.00 0.00 H new ATOM 0 HA ARG A 62 4.907 14.943 -12.666 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.926 15.638 -9.989 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.609 15.199 -10.203 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.892 17.328 -10.963 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.163 16.759 -12.451 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.897 17.390 -11.590 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.615 17.942 -10.090 1.00 0.00 H new ATOM 0 HE ARG A 62 5.356 19.884 -11.137 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.328 17.615 -13.683 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.485 18.837 -14.950 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.532 21.385 -12.796 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.151 20.921 -14.458 1.00 0.00 H new ATOM 902 N LYS A 63 6.278 12.417 -12.655 1.00 0.00 N ATOM 903 CA LYS A 63 7.318 11.451 -13.068 1.00 0.00 C ATOM 904 C LYS A 63 8.463 11.364 -12.046 1.00 0.00 C ATOM 905 O LYS A 63 9.472 12.064 -12.107 1.00 0.00 O ATOM 906 CB LYS A 63 7.866 11.733 -14.474 1.00 0.00 C ATOM 907 CG LYS A 63 6.799 11.500 -15.541 1.00 0.00 C ATOM 908 CD LYS A 63 7.456 11.094 -16.861 1.00 0.00 C ATOM 909 CE LYS A 63 6.415 10.781 -17.937 1.00 0.00 C ATOM 910 NZ LYS A 63 5.748 12.003 -18.407 1.00 0.00 N ATOM 0 H LYS A 63 5.333 12.039 -12.720 1.00 0.00 H new ATOM 0 HA LYS A 63 6.823 10.481 -13.103 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.220 12.762 -14.529 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.724 11.090 -14.668 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.110 10.721 -15.214 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.211 12.407 -15.682 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.106 11.898 -17.206 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.087 10.220 -16.700 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.897 10.281 -18.777 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.673 10.090 -17.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.084 11.764 -19.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.227 12.439 -17.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.460 12.672 -18.763 1.00 0.00 H new ATOM 924 N LEU A 64 8.219 10.519 -11.055 1.00 0.00 N ATOM 925 CA LEU A 64 9.193 10.362 -9.959 1.00 0.00 C ATOM 926 C LEU A 64 10.327 9.415 -10.384 1.00 0.00 C ATOM 927 O LEU A 64 10.451 9.117 -11.570 1.00 0.00 O ATOM 928 CB LEU A 64 8.483 9.931 -8.666 1.00 0.00 C ATOM 929 CG LEU A 64 8.385 11.019 -7.584 1.00 0.00 C ATOM 930 CD1 LEU A 64 9.772 11.484 -7.126 1.00 0.00 C ATOM 931 CD2 LEU A 64 7.512 12.196 -8.032 1.00 0.00 C ATOM 0 H LEU A 64 7.382 9.941 -10.977 1.00 0.00 H new ATOM 0 HA LEU A 64 9.661 11.322 -9.742 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.476 9.597 -8.916 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.009 9.072 -8.249 1.00 0.00 H new ATOM 0 HG LEU A 64 7.892 10.569 -6.722 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.664 12.253 -6.361 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.322 10.638 -6.714 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.318 11.892 -7.976 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.470 12.941 -7.238 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.939 12.645 -8.929 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.505 11.840 -8.249 1.00 0.00 H new ATOM 943 N PHE A 65 11.007 8.836 -9.394 1.00 0.00 N ATOM 944 CA PHE A 65 12.120 7.883 -9.584 1.00 0.00 C ATOM 945 C PHE A 65 11.860 6.910 -10.745 1.00 0.00 C ATOM 946 O PHE A 65 12.631 6.913 -11.696 1.00 0.00 O ATOM 947 CB PHE A 65 12.395 7.116 -8.278 1.00 0.00 C ATOM 948 CG PHE A 65 11.229 6.241 -7.804 1.00 0.00 C ATOM 949 CD1 PHE A 65 10.158 6.817 -7.133 1.00 0.00 C ATOM 950 CD2 PHE A 65 11.182 4.890 -8.163 1.00 0.00 C ATOM 951 CE1 PHE A 65 9.046 6.057 -6.816 1.00 0.00 C ATOM 952 CE2 PHE A 65 10.066 4.132 -7.851 1.00 0.00 C ATOM 953 CZ PHE A 65 8.998 4.717 -7.180 1.00 0.00 C ATOM 0 H PHE A 65 10.800 9.016 -8.411 1.00 0.00 H new ATOM 0 HA PHE A 65 13.005 8.462 -9.848 1.00 0.00 H new ATOM 0 HB2 PHE A 65 13.273 6.486 -8.418 1.00 0.00 H new ATOM 0 HB3 PHE A 65 12.639 7.833 -7.494 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.193 7.861 -6.858 1.00 0.00 H new ATOM 0 HD2 PHE A 65 12.014 4.439 -8.683 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.217 6.504 -6.287 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.025 3.089 -8.128 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.126 4.126 -6.940 1.00 0.00 H new ATOM 963 N PHE A 66 10.692 6.262 -10.687 1.00 0.00 N ATOM 964 CA PHE A 66 10.153 5.290 -11.654 1.00 0.00 C ATOM 965 C PHE A 66 8.893 4.603 -11.101 1.00 0.00 C ATOM 966 O PHE A 66 8.271 5.069 -10.151 1.00 0.00 O ATOM 967 CB PHE A 66 11.212 4.238 -12.024 1.00 0.00 C ATOM 968 CG PHE A 66 11.790 4.548 -13.398 1.00 0.00 C ATOM 969 CD1 PHE A 66 10.967 4.537 -14.519 1.00 0.00 C ATOM 970 CD2 PHE A 66 13.144 4.843 -13.527 1.00 0.00 C ATOM 971 CE1 PHE A 66 11.500 4.803 -15.767 1.00 0.00 C ATOM 972 CE2 PHE A 66 13.674 5.118 -14.773 1.00 0.00 C ATOM 973 CZ PHE A 66 12.855 5.092 -15.900 1.00 0.00 C ATOM 0 H PHE A 66 10.050 6.411 -9.909 1.00 0.00 H new ATOM 0 HA PHE A 66 9.879 5.838 -12.556 1.00 0.00 H new ATOM 0 HB2 PHE A 66 12.007 4.231 -11.278 1.00 0.00 H new ATOM 0 HB3 PHE A 66 10.766 3.244 -12.023 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.914 4.321 -14.415 1.00 0.00 H new ATOM 0 HD2 PHE A 66 13.780 4.857 -12.654 1.00 0.00 H new ATOM 0 HE1 PHE A 66 10.864 4.786 -16.640 1.00 0.00 H new ATOM 0 HE2 PHE A 66 14.723 5.353 -14.873 1.00 0.00 H new ATOM 0 HZ PHE A 66 13.271 5.296 -16.876 1.00 0.00 H new ATOM 983 N ARG A 67 8.569 3.473 -11.714 1.00 0.00 N ATOM 984 CA ARG A 67 7.493 2.564 -11.303 1.00 0.00 C ATOM 985 C ARG A 67 8.096 1.229 -10.848 1.00 0.00 C ATOM 986 O ARG A 67 9.100 0.761 -11.384 1.00 0.00 O ATOM 987 CB ARG A 67 6.544 2.332 -12.480 1.00 0.00 C ATOM 988 CG ARG A 67 7.235 1.883 -13.770 1.00 0.00 C ATOM 989 CD ARG A 67 6.187 1.501 -14.803 1.00 0.00 C ATOM 990 NE ARG A 67 6.845 1.293 -16.097 1.00 0.00 N ATOM 991 CZ ARG A 67 6.248 0.867 -17.211 1.00 0.00 C ATOM 992 NH1 ARG A 67 4.967 0.519 -17.223 1.00 0.00 N ATOM 993 NH2 ARG A 67 6.944 0.756 -18.326 1.00 0.00 N ATOM 0 H ARG A 67 9.064 3.146 -12.544 1.00 0.00 H new ATOM 0 HA ARG A 67 6.937 3.006 -10.476 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.809 1.580 -12.195 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.997 3.254 -12.677 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.865 2.685 -14.155 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.888 1.034 -13.568 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.668 0.594 -14.495 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.435 2.286 -14.885 1.00 0.00 H new ATOM 0 HE ARG A 67 7.844 1.491 -16.150 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.415 0.574 -16.367 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.534 0.196 -18.088 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.935 0.996 -18.334 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.491 0.431 -19.180 1.00 0.00 H new ATOM 1007 N ARG A 68 7.455 0.666 -9.842 1.00 0.00 N ATOM 1008 CA ARG A 68 7.821 -0.647 -9.277 1.00 0.00 C ATOM 1009 C ARG A 68 6.638 -1.625 -9.329 1.00 0.00 C ATOM 1010 O ARG A 68 5.471 -1.230 -9.312 1.00 0.00 O ATOM 1011 CB ARG A 68 8.336 -0.531 -7.834 1.00 0.00 C ATOM 1012 CG ARG A 68 7.306 0.091 -6.890 1.00 0.00 C ATOM 1013 CD ARG A 68 7.512 1.601 -6.774 1.00 0.00 C ATOM 1014 NE ARG A 68 8.370 1.897 -5.612 1.00 0.00 N ATOM 1015 CZ ARG A 68 7.984 1.808 -4.333 1.00 0.00 C ATOM 1016 NH1 ARG A 68 6.731 1.495 -4.025 1.00 0.00 N ATOM 1017 NH2 ARG A 68 8.832 2.064 -3.352 1.00 0.00 N ATOM 0 H ARG A 68 6.656 1.100 -9.380 1.00 0.00 H new ATOM 0 HA ARG A 68 8.630 -1.036 -9.895 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.607 -1.521 -7.468 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.244 0.072 -7.824 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.300 -0.115 -7.256 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.387 -0.368 -5.904 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.971 1.986 -7.685 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.550 2.102 -6.665 1.00 0.00 H new ATOM 0 HE ARG A 68 9.329 2.192 -5.796 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.052 1.320 -4.766 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.447 1.430 -3.047 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.793 2.333 -3.565 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.526 1.993 -2.382 1.00 0.00 H new ATOM 1031 N HIS A 69 7.006 -2.899 -9.307 1.00 0.00 N ATOM 1032 CA HIS A 69 6.049 -4.018 -9.270 1.00 0.00 C ATOM 1033 C HIS A 69 6.461 -5.025 -8.188 1.00 0.00 C ATOM 1034 O HIS A 69 7.614 -5.444 -8.106 1.00 0.00 O ATOM 1035 CB HIS A 69 5.875 -4.673 -10.645 1.00 0.00 C ATOM 1036 CG HIS A 69 7.191 -5.125 -11.335 1.00 0.00 C ATOM 1037 ND1 HIS A 69 7.821 -4.457 -12.276 1.00 0.00 N ATOM 1038 CD2 HIS A 69 7.872 -6.219 -11.047 1.00 0.00 C ATOM 1039 CE1 HIS A 69 8.942 -5.145 -12.572 1.00 0.00 C ATOM 1040 NE2 HIS A 69 8.967 -6.224 -11.811 1.00 0.00 N ATOM 0 H HIS A 69 7.982 -3.196 -9.314 1.00 0.00 H new ATOM 0 HA HIS A 69 5.068 -3.623 -9.006 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.224 -5.541 -10.536 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.362 -3.970 -11.302 1.00 0.00 H new ATOM 0 HD2 HIS A 69 7.594 -6.973 -10.325 1.00 0.00 H new ATOM 0 HE1 HIS A 69 9.687 -4.864 -13.302 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.696 -6.937 -11.807 1.00 0.00 H new ATOM 1048 N TYR A 70 5.544 -5.224 -7.260 1.00 0.00 N ATOM 1049 CA TYR A 70 5.701 -6.155 -6.131 1.00 0.00 C ATOM 1050 C TYR A 70 4.828 -7.402 -6.334 1.00 0.00 C ATOM 1051 O TYR A 70 3.613 -7.261 -6.417 1.00 0.00 O ATOM 1052 CB TYR A 70 5.309 -5.475 -4.817 1.00 0.00 C ATOM 1053 CG TYR A 70 6.289 -4.359 -4.466 1.00 0.00 C ATOM 1054 CD1 TYR A 70 7.634 -4.659 -4.295 1.00 0.00 C ATOM 1055 CD2 TYR A 70 5.841 -3.050 -4.360 1.00 0.00 C ATOM 1056 CE1 TYR A 70 8.540 -3.652 -4.016 1.00 0.00 C ATOM 1057 CE2 TYR A 70 6.745 -2.037 -4.085 1.00 0.00 C ATOM 1058 CZ TYR A 70 8.097 -2.337 -3.935 1.00 0.00 C ATOM 1059 OH TYR A 70 9.001 -1.371 -3.636 1.00 0.00 O ATOM 0 H TYR A 70 4.647 -4.739 -7.259 1.00 0.00 H new ATOM 0 HA TYR A 70 6.748 -6.453 -6.085 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.302 -5.067 -4.901 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.288 -6.212 -4.014 1.00 0.00 H new ATOM 0 HD1 TYR A 70 7.973 -5.681 -4.380 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.793 -2.822 -4.491 1.00 0.00 H new ATOM 0 HE1 TYR A 70 9.583 -3.885 -3.862 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.402 -1.017 -3.987 1.00 0.00 H new ATOM 0 HH TYR A 70 8.809 -1.007 -2.746 1.00 0.00 H new ATOM 1069 N PRO A 71 5.434 -8.586 -6.436 1.00 0.00 N ATOM 1070 CA PRO A 71 4.669 -9.841 -6.584 1.00 0.00 C ATOM 1071 C PRO A 71 3.854 -10.166 -5.326 1.00 0.00 C ATOM 1072 O PRO A 71 4.262 -9.857 -4.206 1.00 0.00 O ATOM 1073 CB PRO A 71 5.720 -10.905 -6.909 1.00 0.00 C ATOM 1074 CG PRO A 71 7.000 -10.371 -6.268 1.00 0.00 C ATOM 1075 CD PRO A 71 6.886 -8.853 -6.420 1.00 0.00 C ATOM 0 HA PRO A 71 3.919 -9.777 -7.373 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.444 -11.877 -6.499 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.837 -11.035 -7.985 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.073 -10.663 -5.220 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.888 -10.757 -6.769 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.375 -8.335 -5.595 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.362 -8.510 -7.339 1.00 0.00 H new ATOM 1083 N LEU A 72 2.763 -10.899 -5.519 1.00 0.00 N ATOM 1084 CA LEU A 72 1.919 -11.359 -4.393 1.00 0.00 C ATOM 1085 C LEU A 72 2.590 -12.479 -3.564 1.00 0.00 C ATOM 1086 O LEU A 72 2.141 -12.821 -2.477 1.00 0.00 O ATOM 1087 CB LEU A 72 0.547 -11.802 -4.918 1.00 0.00 C ATOM 1088 CG LEU A 72 -0.489 -11.961 -3.798 1.00 0.00 C ATOM 1089 CD1 LEU A 72 -1.064 -10.607 -3.368 1.00 0.00 C ATOM 1090 CD2 LEU A 72 -1.576 -12.948 -4.223 1.00 0.00 C ATOM 0 H LEU A 72 2.433 -11.193 -6.438 1.00 0.00 H new ATOM 0 HA LEU A 72 1.787 -10.517 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.185 -11.071 -5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.653 -12.749 -5.447 1.00 0.00 H new ATOM 0 HG LEU A 72 0.007 -12.373 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.794 -10.758 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.259 -9.969 -3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.548 -10.130 -4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.306 -13.053 -3.420 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.073 -12.578 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.125 -13.918 -4.433 1.00 0.00 H new ATOM 1102 N ASN A 73 3.747 -12.942 -4.044 1.00 0.00 N ATOM 1103 CA ASN A 73 4.578 -13.953 -3.361 1.00 0.00 C ATOM 1104 C ASN A 73 5.255 -13.346 -2.116 1.00 0.00 C ATOM 1105 O ASN A 73 5.394 -13.996 -1.085 1.00 0.00 O ATOM 1106 CB ASN A 73 5.641 -14.478 -4.334 1.00 0.00 C ATOM 1107 CG ASN A 73 6.364 -15.735 -3.831 1.00 0.00 C ATOM 1108 OD1 ASN A 73 6.468 -16.046 -2.653 1.00 0.00 O ATOM 1109 ND2 ASN A 73 6.922 -16.497 -4.739 1.00 0.00 N ATOM 0 H ASN A 73 4.143 -12.625 -4.929 1.00 0.00 H new ATOM 0 HA ASN A 73 3.941 -14.776 -3.037 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.169 -14.699 -5.291 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.376 -13.694 -4.515 1.00 0.00 H new ATOM 0 HD21 ASN A 73 7.433 -17.334 -4.458 1.00 0.00 H new ATOM 0 HD22 ASN A 73 6.846 -16.253 -5.726 1.00 0.00 H new ATOM 1116 N THR A 74 5.688 -12.094 -2.266 1.00 0.00 N ATOM 1117 CA THR A 74 6.295 -11.324 -1.164 1.00 0.00 C ATOM 1118 C THR A 74 5.234 -10.730 -0.223 1.00 0.00 C ATOM 1119 O THR A 74 5.340 -10.857 0.992 1.00 0.00 O ATOM 1120 CB THR A 74 7.295 -10.268 -1.681 1.00 0.00 C ATOM 1121 OG1 THR A 74 7.960 -9.659 -0.578 1.00 0.00 O ATOM 1122 CG2 THR A 74 6.707 -9.170 -2.572 1.00 0.00 C ATOM 0 H THR A 74 5.632 -11.582 -3.146 1.00 0.00 H new ATOM 0 HA THR A 74 6.875 -12.025 -0.563 1.00 0.00 H new ATOM 0 HB THR A 74 7.980 -10.826 -2.320 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.792 -9.243 -0.887 1.00 0.00 H new ATOM 0 HG21 THR A 74 7.499 -8.485 -2.876 1.00 0.00 H new ATOM 0 HG22 THR A 74 6.258 -9.621 -3.457 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.945 -8.621 -2.018 1.00 0.00 H new ATOM 1130 N VAL A 75 4.169 -10.174 -0.797 1.00 0.00 N ATOM 1131 CA VAL A 75 3.076 -9.534 -0.035 1.00 0.00 C ATOM 1132 C VAL A 75 2.317 -10.613 0.763 1.00 0.00 C ATOM 1133 O VAL A 75 1.507 -11.358 0.220 1.00 0.00 O ATOM 1134 CB VAL A 75 2.160 -8.719 -0.971 1.00 0.00 C ATOM 1135 CG1 VAL A 75 0.961 -8.109 -0.235 1.00 0.00 C ATOM 1136 CG2 VAL A 75 2.936 -7.575 -1.634 1.00 0.00 C ATOM 0 H VAL A 75 4.031 -10.150 -1.807 1.00 0.00 H new ATOM 0 HA VAL A 75 3.486 -8.820 0.679 1.00 0.00 H new ATOM 0 HB VAL A 75 1.796 -9.423 -1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.349 -7.546 -0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.363 -8.905 0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.317 -7.442 0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.269 -7.015 -2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.332 -6.911 -0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.759 -7.985 -2.219 1.00 0.00 H new ATOM 1146 N THR A 76 2.702 -10.714 2.026 1.00 0.00 N ATOM 1147 CA THR A 76 2.124 -11.680 2.988 1.00 0.00 C ATOM 1148 C THR A 76 0.795 -11.167 3.559 1.00 0.00 C ATOM 1149 O THR A 76 -0.133 -11.929 3.818 1.00 0.00 O ATOM 1150 CB THR A 76 3.100 -11.992 4.135 1.00 0.00 C ATOM 1151 OG1 THR A 76 3.381 -10.817 4.902 1.00 0.00 O ATOM 1152 CG2 THR A 76 4.405 -12.606 3.618 1.00 0.00 C ATOM 0 H THR A 76 3.432 -10.127 2.430 1.00 0.00 H new ATOM 0 HA THR A 76 1.937 -12.602 2.437 1.00 0.00 H new ATOM 0 HB THR A 76 2.614 -12.725 4.779 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.002 -11.040 5.626 1.00 0.00 H new ATOM 0 HG21 THR A 76 5.068 -12.812 4.458 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.186 -13.535 3.092 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.890 -11.908 2.936 1.00 0.00 H new ATOM 1160 N PHE A 77 0.771 -9.864 3.822 1.00 0.00 N ATOM 1161 CA PHE A 77 -0.407 -9.159 4.346 1.00 0.00 C ATOM 1162 C PHE A 77 -0.610 -7.845 3.596 1.00 0.00 C ATOM 1163 O PHE A 77 0.303 -7.022 3.565 1.00 0.00 O ATOM 1164 CB PHE A 77 -0.147 -8.833 5.812 1.00 0.00 C ATOM 1165 CG PHE A 77 -1.221 -9.385 6.728 1.00 0.00 C ATOM 1166 CD1 PHE A 77 -1.124 -10.689 7.196 1.00 0.00 C ATOM 1167 CD2 PHE A 77 -2.259 -8.555 7.128 1.00 0.00 C ATOM 1168 CE1 PHE A 77 -2.083 -11.166 8.071 1.00 0.00 C ATOM 1169 CE2 PHE A 77 -3.214 -9.032 8.006 1.00 0.00 C ATOM 1170 CZ PHE A 77 -3.128 -10.342 8.477 1.00 0.00 C ATOM 0 H PHE A 77 1.576 -9.255 3.677 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.291 -9.785 4.226 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.821 -9.240 6.105 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.089 -7.752 5.936 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.309 -11.323 6.880 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.320 -7.543 6.756 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -2.021 -12.179 8.440 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.024 -8.393 8.326 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.876 -10.718 9.160 1.00 0.00 H new ATOM 1180 N CYS A 78 -1.850 -7.615 3.180 1.00 0.00 N ATOM 1181 CA CYS A 78 -2.226 -6.357 2.516 1.00 0.00 C ATOM 1182 C CYS A 78 -3.461 -5.738 3.187 1.00 0.00 C ATOM 1183 O CYS A 78 -4.612 -6.055 2.890 1.00 0.00 O ATOM 1184 CB CYS A 78 -2.426 -6.567 1.015 1.00 0.00 C ATOM 1185 SG CYS A 78 -2.261 -4.978 0.122 1.00 0.00 S ATOM 0 H CYS A 78 -2.617 -8.279 3.287 1.00 0.00 H new ATOM 0 HA CYS A 78 -1.407 -5.647 2.629 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -1.692 -7.280 0.640 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -3.411 -6.996 0.829 1.00 0.00 H new ATOM 0 HG CYS A 78 -1.802 -5.198 -1.074 1.00 0.00 H new ATOM 1191 N ASP A 79 -3.151 -4.934 4.195 1.00 0.00 N ATOM 1192 CA ASP A 79 -4.150 -4.260 5.047 1.00 0.00 C ATOM 1193 C ASP A 79 -3.766 -2.795 5.307 1.00 0.00 C ATOM 1194 O ASP A 79 -2.647 -2.370 5.052 1.00 0.00 O ATOM 1195 CB ASP A 79 -4.376 -5.083 6.327 1.00 0.00 C ATOM 1196 CG ASP A 79 -5.263 -4.423 7.393 1.00 0.00 C ATOM 1197 OD1 ASP A 79 -6.373 -3.971 7.030 1.00 0.00 O ATOM 1198 OD2 ASP A 79 -4.746 -4.282 8.521 1.00 0.00 O ATOM 0 H ASP A 79 -2.188 -4.722 4.456 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.107 -4.213 4.527 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.822 -6.038 6.049 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.406 -5.302 6.773 1.00 0.00 H new ATOM 1203 N LEU A 80 -4.752 -2.005 5.712 1.00 0.00 N ATOM 1204 CA LEU A 80 -4.521 -0.614 6.138 1.00 0.00 C ATOM 1205 C LEU A 80 -4.519 -0.580 7.658 1.00 0.00 C ATOM 1206 O LEU A 80 -5.039 -1.514 8.261 1.00 0.00 O ATOM 1207 CB LEU A 80 -5.608 0.343 5.632 1.00 0.00 C ATOM 1208 CG LEU A 80 -6.950 0.400 6.350 1.00 0.00 C ATOM 1209 CD1 LEU A 80 -7.633 1.698 5.931 1.00 0.00 C ATOM 1210 CD2 LEU A 80 -7.812 -0.809 5.997 1.00 0.00 C ATOM 0 H LEU A 80 -5.728 -2.298 5.758 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.570 -0.286 5.719 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.189 1.349 5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.805 0.091 4.590 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.805 0.376 7.430 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.601 1.776 6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.010 2.546 6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.777 1.701 4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.764 -0.743 6.523 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.992 -0.826 4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.296 -1.722 6.293 1.00 0.00 H new ATOM 1222 N ASP A 81 -3.886 0.451 8.219 1.00 0.00 N ATOM 1223 CA ASP A 81 -3.862 0.730 9.666 1.00 0.00 C ATOM 1224 C ASP A 81 -5.097 0.139 10.399 1.00 0.00 C ATOM 1225 O ASP A 81 -6.190 0.683 10.264 1.00 0.00 O ATOM 1226 CB ASP A 81 -3.744 2.244 9.869 1.00 0.00 C ATOM 1227 CG ASP A 81 -5.025 3.033 9.585 1.00 0.00 C ATOM 1228 OD1 ASP A 81 -5.307 3.306 8.399 1.00 0.00 O ATOM 1229 OD2 ASP A 81 -5.685 3.310 10.609 1.00 0.00 O ATOM 0 H ASP A 81 -3.362 1.134 7.672 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.997 0.237 10.110 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.437 2.435 10.897 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.951 2.622 9.224 1.00 0.00 H new ATOM 1234 N PRO A 82 -4.961 -1.047 11.000 1.00 0.00 N ATOM 1235 CA PRO A 82 -6.102 -1.711 11.658 1.00 0.00 C ATOM 1236 C PRO A 82 -6.515 -0.999 12.956 1.00 0.00 C ATOM 1237 O PRO A 82 -7.517 -1.347 13.568 1.00 0.00 O ATOM 1238 CB PRO A 82 -5.648 -3.158 11.843 1.00 0.00 C ATOM 1239 CG PRO A 82 -4.128 -3.057 11.985 1.00 0.00 C ATOM 1240 CD PRO A 82 -3.736 -1.863 11.112 1.00 0.00 C ATOM 0 HA PRO A 82 -7.016 -1.673 11.066 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.102 -3.608 12.726 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.928 -3.776 10.990 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.837 -2.901 13.024 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.637 -3.971 11.650 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.924 -1.294 11.565 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.389 -2.189 10.132 1.00 0.00 H new ATOM 1248 N GLN A 83 -5.686 -0.037 13.369 1.00 0.00 N ATOM 1249 CA GLN A 83 -5.938 0.836 14.525 1.00 0.00 C ATOM 1250 C GLN A 83 -7.111 1.799 14.260 1.00 0.00 C ATOM 1251 O GLN A 83 -8.261 1.399 14.402 1.00 0.00 O ATOM 1252 CB GLN A 83 -4.643 1.564 14.909 1.00 0.00 C ATOM 1253 CG GLN A 83 -3.598 0.604 15.476 1.00 0.00 C ATOM 1254 CD GLN A 83 -3.036 1.158 16.782 1.00 0.00 C ATOM 1255 OE1 GLN A 83 -3.308 0.661 17.866 1.00 0.00 O ATOM 1256 NE2 GLN A 83 -2.182 2.151 16.705 1.00 0.00 N ATOM 0 H GLN A 83 -4.802 0.163 12.901 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.243 0.228 15.376 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.236 2.068 14.032 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.865 2.336 15.646 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -4.047 -0.374 15.649 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -2.793 0.462 14.755 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -1.958 2.562 15.799 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -1.742 2.512 17.551 1.00 0.00 H new ATOM 1265 N GLU A 84 -6.803 3.040 13.866 1.00 0.00 N ATOM 1266 CA GLU A 84 -7.779 4.129 13.615 1.00 0.00 C ATOM 1267 C GLU A 84 -7.102 5.454 13.189 1.00 0.00 C ATOM 1268 O GLU A 84 -7.563 6.559 13.471 1.00 0.00 O ATOM 1269 CB GLU A 84 -8.661 4.381 14.849 1.00 0.00 C ATOM 1270 CG GLU A 84 -7.831 4.645 16.111 1.00 0.00 C ATOM 1271 CD GLU A 84 -8.507 5.662 17.027 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -8.834 6.759 16.523 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -8.632 5.333 18.224 1.00 0.00 O ATOM 0 H GLU A 84 -5.839 3.333 13.705 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.400 3.789 12.786 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.312 5.234 14.660 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.306 3.518 15.015 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.683 3.710 16.651 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.844 5.010 15.828 1.00 0.00 H new ATOM 1280 N ARG A 85 -6.005 5.303 12.468 1.00 0.00 N ATOM 1281 CA ARG A 85 -5.159 6.425 12.031 1.00 0.00 C ATOM 1282 C ARG A 85 -5.294 6.590 10.506 1.00 0.00 C ATOM 1283 O ARG A 85 -5.946 5.799 9.824 1.00 0.00 O ATOM 1284 CB ARG A 85 -3.715 6.112 12.436 1.00 0.00 C ATOM 1285 CG ARG A 85 -3.483 6.080 13.951 1.00 0.00 C ATOM 1286 CD ARG A 85 -2.711 7.308 14.437 1.00 0.00 C ATOM 1287 NE ARG A 85 -2.355 7.125 15.854 1.00 0.00 N ATOM 1288 CZ ARG A 85 -1.456 7.832 16.550 1.00 0.00 C ATOM 1289 NH1 ARG A 85 -0.765 8.821 16.002 1.00 0.00 N ATOM 1290 NH2 ARG A 85 -1.233 7.551 17.822 1.00 0.00 N ATOM 0 H ARG A 85 -5.664 4.392 12.161 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.464 7.361 12.498 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -3.432 5.147 12.015 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.055 6.858 11.994 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.443 6.029 14.464 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.932 5.177 14.215 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.811 7.447 13.838 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -3.317 8.206 14.315 1.00 0.00 H new ATOM 0 HE ARG A 85 -2.843 6.384 16.357 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.911 9.063 15.022 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.087 9.340 16.560 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -1.746 6.795 18.275 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.548 8.091 18.351 1.00 0.00 H new ATOM 1304 N LYS A 86 -4.650 7.614 9.971 1.00 0.00 N ATOM 1305 CA LYS A 86 -4.718 7.941 8.534 1.00 0.00 C ATOM 1306 C LYS A 86 -3.498 8.769 8.130 1.00 0.00 C ATOM 1307 O LYS A 86 -2.820 9.324 8.992 1.00 0.00 O ATOM 1308 CB LYS A 86 -6.031 8.662 8.201 1.00 0.00 C ATOM 1309 CG LYS A 86 -6.226 9.987 8.945 1.00 0.00 C ATOM 1310 CD LYS A 86 -7.684 10.129 9.379 1.00 0.00 C ATOM 1311 CE LYS A 86 -7.872 9.692 10.832 1.00 0.00 C ATOM 1312 NZ LYS A 86 -9.018 8.785 10.966 1.00 0.00 N ATOM 0 H LYS A 86 -4.062 8.249 10.510 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.704 7.016 7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.066 8.852 7.128 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.865 8.001 8.435 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.573 10.024 9.817 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.946 10.821 8.301 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.001 11.165 9.264 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.320 9.527 8.730 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.968 9.196 11.186 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.022 10.569 11.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.123 8.504 11.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.883 9.269 10.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.861 7.939 10.382 1.00 0.00 H new ATOM 1326 N TRP A 87 -3.191 8.745 6.840 1.00 0.00 N ATOM 1327 CA TRP A 87 -2.075 9.543 6.313 1.00 0.00 C ATOM 1328 C TRP A 87 -2.402 11.032 6.450 1.00 0.00 C ATOM 1329 O TRP A 87 -3.464 11.494 6.027 1.00 0.00 O ATOM 1330 CB TRP A 87 -1.812 9.187 4.853 1.00 0.00 C ATOM 1331 CG TRP A 87 -0.670 10.005 4.242 1.00 0.00 C ATOM 1332 CD1 TRP A 87 -0.782 10.716 3.121 1.00 0.00 C ATOM 1333 CD2 TRP A 87 0.617 10.156 4.718 1.00 0.00 C ATOM 1334 NE1 TRP A 87 0.386 11.299 2.865 1.00 0.00 N ATOM 1335 CE2 TRP A 87 1.262 10.990 3.803 1.00 0.00 C ATOM 1336 CE3 TRP A 87 1.321 9.607 5.779 1.00 0.00 C ATOM 1337 CZ2 TRP A 87 2.610 11.264 3.954 1.00 0.00 C ATOM 1338 CZ3 TRP A 87 2.663 9.938 5.961 1.00 0.00 C ATOM 1339 CH2 TRP A 87 3.307 10.747 5.042 1.00 0.00 C ATOM 0 H TRP A 87 -3.687 8.192 6.141 1.00 0.00 H new ATOM 0 HA TRP A 87 -1.174 9.322 6.886 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -1.573 8.126 4.779 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -2.721 9.350 4.274 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -1.674 10.805 2.519 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.577 11.897 2.061 1.00 0.00 H new ATOM 0 HE3 TRP A 87 0.832 8.927 6.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 3.121 11.879 3.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 3.200 9.563 6.820 1.00 0.00 H new ATOM 0 HH2 TRP A 87 4.354 10.978 5.169 1.00 0.00 H new ATOM 1350 N THR A 88 -1.522 11.695 7.192 1.00 0.00 N ATOM 1351 CA THR A 88 -1.556 13.159 7.384 1.00 0.00 C ATOM 1352 C THR A 88 -1.166 13.868 6.075 1.00 0.00 C ATOM 1353 O THR A 88 -0.042 14.342 5.919 1.00 0.00 O ATOM 1354 CB THR A 88 -0.683 13.586 8.587 1.00 0.00 C ATOM 1355 OG1 THR A 88 -0.753 15.007 8.751 1.00 0.00 O ATOM 1356 CG2 THR A 88 0.774 13.090 8.545 1.00 0.00 C ATOM 0 H THR A 88 -0.755 11.238 7.685 1.00 0.00 H new ATOM 0 HA THR A 88 -2.573 13.467 7.629 1.00 0.00 H new ATOM 0 HB THR A 88 -1.104 13.088 9.460 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.201 15.276 9.515 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.304 13.441 9.431 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.787 12.000 8.523 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.265 13.477 7.652 1.00 0.00 H new ATOM 1364 N LYS A 89 -2.081 13.794 5.109 1.00 0.00 N ATOM 1365 CA LYS A 89 -1.949 14.405 3.768 1.00 0.00 C ATOM 1366 C LYS A 89 -1.530 15.871 3.870 1.00 0.00 C ATOM 1367 O LYS A 89 -2.303 16.720 4.307 1.00 0.00 O ATOM 1368 CB LYS A 89 -3.284 14.280 3.032 1.00 0.00 C ATOM 1369 CG LYS A 89 -3.065 13.506 1.735 1.00 0.00 C ATOM 1370 CD LYS A 89 -4.355 12.856 1.233 1.00 0.00 C ATOM 1371 CE LYS A 89 -5.110 13.692 0.198 1.00 0.00 C ATOM 1372 NZ LYS A 89 -6.420 14.112 0.710 1.00 0.00 N ATOM 0 H LYS A 89 -2.962 13.296 5.232 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.172 13.880 3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.013 13.766 3.659 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.689 15.269 2.817 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.677 14.180 0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.309 12.737 1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -4.115 11.886 0.797 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -5.011 12.670 2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -4.520 14.570 -0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.242 13.112 -0.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.692 15.014 0.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.130 13.388 0.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.367 14.232 1.742 1.00 0.00 H new ATOM 1386 N THR A 90 -0.208 16.043 3.800 1.00 0.00 N ATOM 1387 CA THR A 90 0.479 17.340 3.980 1.00 0.00 C ATOM 1388 C THR A 90 -0.048 18.131 5.202 1.00 0.00 C ATOM 1389 O THR A 90 -0.480 19.278 5.098 1.00 0.00 O ATOM 1390 CB THR A 90 0.517 18.145 2.661 1.00 0.00 C ATOM 1391 OG1 THR A 90 1.341 19.298 2.834 1.00 0.00 O ATOM 1392 CG2 THR A 90 -0.848 18.530 2.072 1.00 0.00 C ATOM 0 H THR A 90 0.435 15.273 3.613 1.00 0.00 H new ATOM 0 HA THR A 90 1.520 17.134 4.228 1.00 0.00 H new ATOM 0 HB THR A 90 0.940 17.469 1.918 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.368 19.809 1.998 1.00 0.00 H new ATOM 0 HG21 THR A 90 -0.701 19.091 1.149 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.421 17.627 1.860 1.00 0.00 H new ATOM 0 HG23 THR A 90 -1.393 19.146 2.788 1.00 0.00 H new ATOM 1400 N ASP A 91 -0.120 17.433 6.342 1.00 0.00 N ATOM 1401 CA ASP A 91 -0.642 17.956 7.631 1.00 0.00 C ATOM 1402 C ASP A 91 -2.164 18.166 7.531 1.00 0.00 C ATOM 1403 O ASP A 91 -2.642 19.209 7.088 1.00 0.00 O ATOM 1404 CB ASP A 91 0.012 19.279 8.077 1.00 0.00 C ATOM 1405 CG ASP A 91 1.520 19.402 7.826 1.00 0.00 C ATOM 1406 OD1 ASP A 91 2.214 18.360 7.880 1.00 0.00 O ATOM 1407 OD2 ASP A 91 1.961 20.557 7.644 1.00 0.00 O ATOM 0 H ASP A 91 0.189 16.463 6.405 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.393 17.206 8.382 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -0.490 20.100 7.565 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -0.171 19.410 9.144 1.00 0.00 H new ATOM 1412 N GLY A 92 -2.902 17.131 7.958 1.00 0.00 N ATOM 1413 CA GLY A 92 -4.379 17.111 7.879 1.00 0.00 C ATOM 1414 C GLY A 92 -4.868 17.343 6.441 1.00 0.00 C ATOM 1415 O GLY A 92 -4.790 16.433 5.621 1.00 0.00 O ATOM 0 H GLY A 92 -2.500 16.287 8.366 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.751 16.153 8.241 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -4.790 17.880 8.533 1.00 0.00 H new ATOM 1419 N SER A 93 -5.375 18.557 6.203 1.00 0.00 N ATOM 1420 CA SER A 93 -5.848 19.053 4.885 1.00 0.00 C ATOM 1421 C SER A 93 -6.485 17.964 4.003 1.00 0.00 C ATOM 1422 O SER A 93 -5.961 17.557 2.965 1.00 0.00 O ATOM 1423 CB SER A 93 -4.690 19.732 4.138 1.00 0.00 C ATOM 1424 OG SER A 93 -4.222 20.881 4.849 1.00 0.00 O ATOM 0 H SER A 93 -5.475 19.253 6.941 1.00 0.00 H new ATOM 0 HA SER A 93 -6.639 19.773 5.092 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.872 19.023 4.007 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.019 20.026 3.141 1.00 0.00 H new ATOM 0 HG SER A 93 -3.700 20.594 5.627 1.00 0.00 H new ATOM 1430 N GLY A 94 -7.608 17.445 4.515 1.00 0.00 N ATOM 1431 CA GLY A 94 -8.316 16.320 3.878 1.00 0.00 C ATOM 1432 C GLY A 94 -7.658 14.986 4.285 1.00 0.00 C ATOM 1433 O GLY A 94 -6.698 14.559 3.644 1.00 0.00 O ATOM 0 H GLY A 94 -8.049 17.785 5.370 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.365 16.324 4.176 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.292 16.431 2.794 1.00 0.00 H new ATOM 1437 N PRO A 95 -8.135 14.356 5.367 1.00 0.00 N ATOM 1438 CA PRO A 95 -7.587 13.067 5.824 1.00 0.00 C ATOM 1439 C PRO A 95 -7.982 11.933 4.873 1.00 0.00 C ATOM 1440 O PRO A 95 -9.135 11.798 4.465 1.00 0.00 O ATOM 1441 CB PRO A 95 -8.152 12.898 7.233 1.00 0.00 C ATOM 1442 CG PRO A 95 -9.498 13.619 7.185 1.00 0.00 C ATOM 1443 CD PRO A 95 -9.232 14.804 6.256 1.00 0.00 C ATOM 0 HA PRO A 95 -6.497 13.041 5.833 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -8.273 11.846 7.490 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -7.492 13.336 7.982 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.286 12.973 6.797 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.813 13.948 8.175 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.122 15.064 5.684 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.945 15.691 6.820 1.00 0.00 H new ATOM 1451 N ALA A 96 -6.985 11.127 4.536 1.00 0.00 N ATOM 1452 CA ALA A 96 -7.163 9.983 3.626 1.00 0.00 C ATOM 1453 C ALA A 96 -6.538 8.740 4.249 1.00 0.00 C ATOM 1454 O ALA A 96 -5.348 8.711 4.571 1.00 0.00 O ATOM 1455 CB ALA A 96 -6.537 10.267 2.261 1.00 0.00 C ATOM 0 H ALA A 96 -6.031 11.239 4.879 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.229 9.816 3.475 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.682 9.406 1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.011 11.143 1.818 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.470 10.455 2.382 1.00 0.00 H new ATOM 1461 N LYS A 97 -7.426 7.818 4.621 1.00 0.00 N ATOM 1462 CA LYS A 97 -7.028 6.520 5.197 1.00 0.00 C ATOM 1463 C LYS A 97 -5.813 5.924 4.484 1.00 0.00 C ATOM 1464 O LYS A 97 -5.747 5.884 3.252 1.00 0.00 O ATOM 1465 CB LYS A 97 -8.180 5.518 5.156 1.00 0.00 C ATOM 1466 CG LYS A 97 -8.968 5.577 6.461 1.00 0.00 C ATOM 1467 CD LYS A 97 -10.189 4.658 6.402 1.00 0.00 C ATOM 1468 CE LYS A 97 -11.039 4.790 7.667 1.00 0.00 C ATOM 1469 NZ LYS A 97 -11.637 6.131 7.790 1.00 0.00 N ATOM 0 H LYS A 97 -8.435 7.942 4.535 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.758 6.714 6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.836 5.740 4.315 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.792 4.511 5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.326 5.283 7.292 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.288 6.601 6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.792 4.904 5.528 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.865 3.624 6.284 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.830 4.040 7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.422 4.586 8.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.383 6.113 8.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.903 6.814 8.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.048 6.413 6.877 1.00 0.00 H new ATOM 1483 N LEU A 98 -4.862 5.533 5.320 1.00 0.00 N ATOM 1484 CA LEU A 98 -3.601 4.988 4.805 1.00 0.00 C ATOM 1485 C LEU A 98 -3.525 3.484 5.060 1.00 0.00 C ATOM 1486 O LEU A 98 -3.905 2.959 6.107 1.00 0.00 O ATOM 1487 CB LEU A 98 -2.365 5.735 5.332 1.00 0.00 C ATOM 1488 CG LEU A 98 -1.707 5.186 6.598 1.00 0.00 C ATOM 1489 CD1 LEU A 98 -0.331 5.826 6.762 1.00 0.00 C ATOM 1490 CD2 LEU A 98 -2.577 5.409 7.835 1.00 0.00 C ATOM 0 H LEU A 98 -4.929 5.578 6.337 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.594 5.147 3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.616 5.750 4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.650 6.770 5.520 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.593 4.107 6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.145 5.439 7.663 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.286 5.589 5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.440 6.907 6.845 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.073 5.004 8.712 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.745 6.477 7.974 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.534 4.905 7.702 1.00 0.00 H new ATOM 1502 N PHE A 99 -2.950 2.842 4.069 1.00 0.00 N ATOM 1503 CA PHE A 99 -2.792 1.391 4.010 1.00 0.00 C ATOM 1504 C PHE A 99 -1.357 1.002 3.680 1.00 0.00 C ATOM 1505 O PHE A 99 -0.677 1.685 2.914 1.00 0.00 O ATOM 1506 CB PHE A 99 -3.777 0.814 2.989 1.00 0.00 C ATOM 1507 CG PHE A 99 -3.466 1.123 1.544 1.00 0.00 C ATOM 1508 CD1 PHE A 99 -3.851 2.319 0.959 1.00 0.00 C ATOM 1509 CD2 PHE A 99 -2.857 0.116 0.808 1.00 0.00 C ATOM 1510 CE1 PHE A 99 -3.633 2.508 -0.395 1.00 0.00 C ATOM 1511 CE2 PHE A 99 -2.634 0.310 -0.531 1.00 0.00 C ATOM 1512 CZ PHE A 99 -3.023 1.503 -1.142 1.00 0.00 C ATOM 0 H PHE A 99 -2.565 3.321 3.254 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.014 0.971 4.991 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.810 -0.268 3.113 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.774 1.191 3.217 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.315 3.093 1.552 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.563 -0.808 1.284 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.934 3.430 -0.870 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.156 -0.463 -1.115 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.850 1.648 -2.198 1.00 0.00 H new ATOM 1522 N GLY A 100 -0.969 -0.121 4.279 1.00 0.00 N ATOM 1523 CA GLY A 100 0.360 -0.684 4.059 1.00 0.00 C ATOM 1524 C GLY A 100 0.391 -2.206 4.091 1.00 0.00 C ATOM 1525 O GLY A 100 -0.118 -2.830 5.020 1.00 0.00 O ATOM 0 H GLY A 100 -1.554 -0.658 4.919 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.735 -0.342 3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 100 1.039 -0.299 4.820 1.00 0.00 H new ATOM 1529 N PHE A 101 1.211 -2.750 3.211 1.00 0.00 N ATOM 1530 CA PHE A 101 1.386 -4.206 3.144 1.00 0.00 C ATOM 1531 C PHE A 101 2.806 -4.603 3.559 1.00 0.00 C ATOM 1532 O PHE A 101 3.756 -3.845 3.366 1.00 0.00 O ATOM 1533 CB PHE A 101 1.038 -4.732 1.745 1.00 0.00 C ATOM 1534 CG PHE A 101 1.872 -4.132 0.619 1.00 0.00 C ATOM 1535 CD1 PHE A 101 3.207 -4.487 0.482 1.00 0.00 C ATOM 1536 CD2 PHE A 101 1.298 -3.199 -0.240 1.00 0.00 C ATOM 1537 CE1 PHE A 101 3.979 -3.899 -0.502 1.00 0.00 C ATOM 1538 CE2 PHE A 101 2.066 -2.634 -1.240 1.00 0.00 C ATOM 1539 CZ PHE A 101 3.412 -2.971 -1.367 1.00 0.00 C ATOM 0 H PHE A 101 1.764 -2.221 2.537 1.00 0.00 H new ATOM 0 HA PHE A 101 0.696 -4.669 3.850 1.00 0.00 H new ATOM 0 HB2 PHE A 101 1.164 -5.815 1.736 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.015 -4.532 1.547 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.642 -5.222 1.143 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.261 -2.919 -0.126 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.022 -4.161 -0.599 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.621 -1.928 -1.926 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.014 -2.511 -2.137 1.00 0.00 H new ATOM 1549 N VAL A 102 2.911 -5.809 4.096 1.00 0.00 N ATOM 1550 CA VAL A 102 4.213 -6.407 4.456 1.00 0.00 C ATOM 1551 C VAL A 102 4.673 -7.381 3.359 1.00 0.00 C ATOM 1552 O VAL A 102 4.013 -8.369 3.039 1.00 0.00 O ATOM 1553 CB VAL A 102 4.221 -6.977 5.893 1.00 0.00 C ATOM 1554 CG1 VAL A 102 3.104 -7.976 6.165 1.00 0.00 C ATOM 1555 CG2 VAL A 102 5.564 -7.614 6.271 1.00 0.00 C ATOM 0 H VAL A 102 2.110 -6.407 4.298 1.00 0.00 H new ATOM 0 HA VAL A 102 4.970 -5.623 4.492 1.00 0.00 H new ATOM 0 HB VAL A 102 4.050 -6.103 6.521 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.176 -8.331 7.193 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.139 -7.492 6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.197 -8.820 5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.511 -7.997 7.290 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.784 -8.433 5.586 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.353 -6.865 6.205 1.00 0.00 H new ATOM 1565 N ALA A 103 5.781 -6.982 2.750 1.00 0.00 N ATOM 1566 CA ALA A 103 6.428 -7.731 1.663 1.00 0.00 C ATOM 1567 C ALA A 103 7.621 -8.536 2.199 1.00 0.00 C ATOM 1568 O ALA A 103 8.648 -7.981 2.604 1.00 0.00 O ATOM 1569 CB ALA A 103 6.845 -6.748 0.563 1.00 0.00 C ATOM 0 H ALA A 103 6.268 -6.120 2.994 1.00 0.00 H new ATOM 0 HA ALA A 103 5.729 -8.451 1.237 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.326 -7.293 -0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.963 -6.233 0.182 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.542 -6.018 0.973 1.00 0.00 H new ATOM 1575 N ARG A 104 7.354 -9.827 2.361 1.00 0.00 N ATOM 1576 CA ARG A 104 8.302 -10.860 2.792 1.00 0.00 C ATOM 1577 C ARG A 104 8.432 -11.934 1.699 1.00 0.00 C ATOM 1578 O ARG A 104 7.533 -12.738 1.468 1.00 0.00 O ATOM 1579 CB ARG A 104 7.795 -11.495 4.092 1.00 0.00 C ATOM 1580 CG ARG A 104 8.774 -12.520 4.672 1.00 0.00 C ATOM 1581 CD ARG A 104 8.215 -13.932 4.578 1.00 0.00 C ATOM 1582 NE ARG A 104 8.277 -14.507 5.927 1.00 0.00 N ATOM 1583 CZ ARG A 104 7.584 -15.565 6.353 1.00 0.00 C ATOM 1584 NH1 ARG A 104 6.685 -16.156 5.579 1.00 0.00 N ATOM 1585 NH2 ARG A 104 7.739 -15.996 7.592 1.00 0.00 N ATOM 0 H ARG A 104 6.423 -10.206 2.187 1.00 0.00 H new ATOM 0 HA ARG A 104 9.281 -10.412 2.964 1.00 0.00 H new ATOM 0 HB2 ARG A 104 7.617 -10.712 4.829 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.837 -11.980 3.905 1.00 0.00 H new ATOM 0 HG2 ARG A 104 9.721 -12.465 4.136 1.00 0.00 H new ATOM 0 HG3 ARG A 104 8.983 -12.278 5.714 1.00 0.00 H new ATOM 0 HD2 ARG A 104 7.189 -13.917 4.212 1.00 0.00 H new ATOM 0 HD3 ARG A 104 8.795 -14.531 3.876 1.00 0.00 H new ATOM 0 HE ARG A 104 8.903 -14.060 6.596 1.00 0.00 H new ATOM 0 HH11 ARG A 104 6.512 -15.803 4.638 1.00 0.00 H new ATOM 0 HH12 ARG A 104 6.166 -16.964 5.925 1.00 0.00 H new ATOM 0 HH21 ARG A 104 8.387 -15.520 8.220 1.00 0.00 H new ATOM 0 HH22 ARG A 104 7.211 -16.804 7.921 1.00 0.00 H new ATOM 1599 N LYS A 105 9.645 -12.020 1.174 1.00 0.00 N ATOM 1600 CA LYS A 105 10.003 -13.079 0.213 1.00 0.00 C ATOM 1601 C LYS A 105 10.516 -14.271 1.028 1.00 0.00 C ATOM 1602 O LYS A 105 11.144 -14.079 2.072 1.00 0.00 O ATOM 1603 CB LYS A 105 11.091 -12.581 -0.739 1.00 0.00 C ATOM 1604 CG LYS A 105 10.611 -11.418 -1.608 1.00 0.00 C ATOM 1605 CD LYS A 105 11.581 -10.246 -1.490 1.00 0.00 C ATOM 1606 CE LYS A 105 11.364 -9.246 -2.621 1.00 0.00 C ATOM 1607 NZ LYS A 105 12.637 -8.564 -2.886 1.00 0.00 N ATOM 0 H LYS A 105 10.405 -11.375 1.390 1.00 0.00 H new ATOM 0 HA LYS A 105 9.141 -13.365 -0.389 1.00 0.00 H new ATOM 0 HB2 LYS A 105 11.960 -12.266 -0.162 1.00 0.00 H new ATOM 0 HB3 LYS A 105 11.414 -13.402 -1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.537 -11.736 -2.648 1.00 0.00 H new ATOM 0 HG3 LYS A 105 9.613 -11.108 -1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 105 11.444 -9.750 -0.529 1.00 0.00 H new ATOM 0 HD3 LYS A 105 12.607 -10.613 -1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 105 11.014 -9.757 -3.518 1.00 0.00 H new ATOM 0 HE3 LYS A 105 10.596 -8.523 -2.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 12.509 -7.877 -3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 12.950 -8.068 -2.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 13.355 -9.264 -3.163 1.00 0.00 H new ATOM 1621 N GLN A 106 10.123 -15.468 0.607 1.00 0.00 N ATOM 1622 CA GLN A 106 10.469 -16.729 1.297 1.00 0.00 C ATOM 1623 C GLN A 106 11.990 -16.864 1.511 1.00 0.00 C ATOM 1624 O GLN A 106 12.759 -17.040 0.569 1.00 0.00 O ATOM 1625 CB GLN A 106 9.920 -17.906 0.492 1.00 0.00 C ATOM 1626 CG GLN A 106 9.390 -18.977 1.447 1.00 0.00 C ATOM 1627 CD GLN A 106 9.345 -20.371 0.820 1.00 0.00 C ATOM 1628 OE1 GLN A 106 10.194 -20.783 0.036 1.00 0.00 O ATOM 1629 NE2 GLN A 106 8.397 -21.174 1.235 1.00 0.00 N ATOM 0 H GLN A 106 9.551 -15.604 -0.227 1.00 0.00 H new ATOM 0 HA GLN A 106 10.014 -16.723 2.287 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.123 -17.567 -0.169 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.703 -18.324 -0.141 1.00 0.00 H new ATOM 0 HG2 GLN A 106 10.019 -19.005 2.337 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.388 -18.700 1.774 1.00 0.00 H new ATOM 0 HE21 GLN A 106 7.690 -20.834 1.887 1.00 0.00 H new ATOM 0 HE22 GLN A 106 8.366 -22.139 0.906 1.00 0.00 H new ATOM 1638 N GLY A 107 12.382 -16.568 2.759 1.00 0.00 N ATOM 1639 CA GLY A 107 13.795 -16.434 3.170 1.00 0.00 C ATOM 1640 C GLY A 107 14.462 -15.175 2.583 1.00 0.00 C ATOM 1641 O GLY A 107 15.566 -15.239 2.047 1.00 0.00 O ATOM 0 H GLY A 107 11.723 -16.413 3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 107 13.852 -16.398 4.258 1.00 0.00 H new ATOM 0 HA3 GLY A 107 14.348 -17.317 2.851 1.00 0.00 H new ATOM 1645 N SER A 108 13.902 -14.020 2.933 1.00 0.00 N ATOM 1646 CA SER A 108 14.404 -12.710 2.460 1.00 0.00 C ATOM 1647 C SER A 108 15.279 -12.064 3.547 1.00 0.00 C ATOM 1648 O SER A 108 14.845 -11.111 4.190 1.00 0.00 O ATOM 1649 CB SER A 108 13.224 -11.792 2.101 1.00 0.00 C ATOM 1650 OG SER A 108 13.681 -10.652 1.369 1.00 0.00 O ATOM 0 H SER A 108 13.091 -13.953 3.549 1.00 0.00 H new ATOM 0 HA SER A 108 15.010 -12.859 1.566 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.494 -12.343 1.508 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.717 -11.469 3.010 1.00 0.00 H new ATOM 0 HG SER A 108 14.200 -10.069 1.962 1.00 0.00 H new ATOM 1656 N THR A 109 16.282 -12.839 3.982 1.00 0.00 N ATOM 1657 CA THR A 109 17.272 -12.472 5.033 1.00 0.00 C ATOM 1658 C THR A 109 16.629 -11.732 6.226 1.00 0.00 C ATOM 1659 O THR A 109 17.035 -10.652 6.641 1.00 0.00 O ATOM 1660 CB THR A 109 18.469 -11.742 4.374 1.00 0.00 C ATOM 1661 OG1 THR A 109 19.108 -12.672 3.498 1.00 0.00 O ATOM 1662 CG2 THR A 109 19.553 -11.188 5.309 1.00 0.00 C ATOM 0 H THR A 109 16.442 -13.774 3.606 1.00 0.00 H new ATOM 0 HA THR A 109 17.668 -13.377 5.493 1.00 0.00 H new ATOM 0 HB THR A 109 18.032 -10.868 3.891 1.00 0.00 H new ATOM 0 HG1 THR A 109 19.872 -12.239 3.062 1.00 0.00 H new ATOM 0 HG21 THR A 109 20.330 -10.703 4.718 1.00 0.00 H new ATOM 0 HG22 THR A 109 19.109 -10.462 5.991 1.00 0.00 H new ATOM 0 HG23 THR A 109 19.991 -12.005 5.883 1.00 0.00 H new ATOM 1670 N THR A 110 15.491 -12.272 6.675 1.00 0.00 N ATOM 1671 CA THR A 110 14.634 -11.674 7.722 1.00 0.00 C ATOM 1672 C THR A 110 14.496 -10.125 7.629 1.00 0.00 C ATOM 1673 O THR A 110 14.842 -9.363 8.529 1.00 0.00 O ATOM 1674 CB THR A 110 15.084 -12.248 9.084 1.00 0.00 C ATOM 1675 OG1 THR A 110 14.028 -12.107 10.028 1.00 0.00 O ATOM 1676 CG2 THR A 110 16.421 -11.732 9.634 1.00 0.00 C ATOM 0 H THR A 110 15.126 -13.155 6.318 1.00 0.00 H new ATOM 0 HA THR A 110 13.594 -11.964 7.570 1.00 0.00 H new ATOM 0 HB THR A 110 15.296 -13.302 8.901 1.00 0.00 H new ATOM 0 HG1 THR A 110 14.311 -12.472 10.892 1.00 0.00 H new ATOM 0 HG21 THR A 110 16.628 -12.207 10.593 1.00 0.00 H new ATOM 0 HG22 THR A 110 17.220 -11.970 8.931 1.00 0.00 H new ATOM 0 HG23 THR A 110 16.366 -10.652 9.769 1.00 0.00 H new ATOM 1684 N ASP A 111 14.144 -9.667 6.427 1.00 0.00 N ATOM 1685 CA ASP A 111 14.101 -8.230 6.073 1.00 0.00 C ATOM 1686 C ASP A 111 12.937 -7.867 5.143 1.00 0.00 C ATOM 1687 O ASP A 111 12.972 -7.970 3.920 1.00 0.00 O ATOM 1688 CB ASP A 111 15.458 -7.747 5.533 1.00 0.00 C ATOM 1689 CG ASP A 111 16.052 -8.538 4.356 1.00 0.00 C ATOM 1690 OD1 ASP A 111 15.406 -8.587 3.288 1.00 0.00 O ATOM 1691 OD2 ASP A 111 17.219 -8.950 4.491 1.00 0.00 O ATOM 0 H ASP A 111 13.877 -10.281 5.658 1.00 0.00 H new ATOM 0 HA ASP A 111 13.905 -7.689 6.999 1.00 0.00 H new ATOM 0 HB2 ASP A 111 15.351 -6.707 5.225 1.00 0.00 H new ATOM 0 HB3 ASP A 111 16.177 -7.765 6.352 1.00 0.00 H new ATOM 1696 N ASN A 112 11.831 -7.566 5.795 1.00 0.00 N ATOM 1697 CA ASN A 112 10.599 -7.196 5.072 1.00 0.00 C ATOM 1698 C ASN A 112 10.399 -5.693 5.090 1.00 0.00 C ATOM 1699 O ASN A 112 10.918 -5.006 5.967 1.00 0.00 O ATOM 1700 CB ASN A 112 9.399 -7.887 5.719 1.00 0.00 C ATOM 1701 CG ASN A 112 9.644 -9.386 5.871 1.00 0.00 C ATOM 1702 OD1 ASN A 112 9.180 -10.000 6.819 1.00 0.00 O ATOM 1703 ND2 ASN A 112 10.441 -9.972 5.001 1.00 0.00 N ATOM 0 H ASN A 112 11.745 -7.566 6.811 1.00 0.00 H new ATOM 0 HA ASN A 112 10.691 -7.519 4.035 1.00 0.00 H new ATOM 0 HB2 ASN A 112 9.205 -7.446 6.697 1.00 0.00 H new ATOM 0 HB3 ASN A 112 8.509 -7.721 5.112 1.00 0.00 H new ATOM 0 HD21 ASN A 112 10.681 -10.957 5.112 1.00 0.00 H new ATOM 0 HD22 ASN A 112 10.818 -9.441 4.216 1.00 0.00 H new ATOM 1710 N VAL A 113 9.702 -5.217 4.075 1.00 0.00 N ATOM 1711 CA VAL A 113 9.357 -3.795 4.003 1.00 0.00 C ATOM 1712 C VAL A 113 7.825 -3.650 3.988 1.00 0.00 C ATOM 1713 O VAL A 113 7.105 -4.536 3.524 1.00 0.00 O ATOM 1714 CB VAL A 113 10.144 -3.206 2.817 1.00 0.00 C ATOM 1715 CG1 VAL A 113 9.337 -2.978 1.546 1.00 0.00 C ATOM 1716 CG2 VAL A 113 10.904 -1.944 3.216 1.00 0.00 C ATOM 0 H VAL A 113 9.364 -5.780 3.294 1.00 0.00 H new ATOM 0 HA VAL A 113 9.653 -3.207 4.872 1.00 0.00 H new ATOM 0 HB VAL A 113 10.858 -3.988 2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.984 -2.562 0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 113 8.925 -3.927 1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.523 -2.282 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.447 -1.558 2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 113 10.199 -1.191 3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.610 -2.181 4.012 1.00 0.00 H new ATOM 1726 N CYS A 114 7.377 -2.593 4.646 1.00 0.00 N ATOM 1727 CA CYS A 114 5.951 -2.248 4.689 1.00 0.00 C ATOM 1728 C CYS A 114 5.748 -0.885 4.030 1.00 0.00 C ATOM 1729 O CYS A 114 6.292 0.126 4.473 1.00 0.00 O ATOM 1730 CB CYS A 114 5.465 -2.246 6.135 1.00 0.00 C ATOM 1731 SG CYS A 114 3.704 -2.693 6.336 1.00 0.00 S ATOM 0 H CYS A 114 7.978 -1.951 5.163 1.00 0.00 H new ATOM 0 HA CYS A 114 5.367 -2.988 4.142 1.00 0.00 H new ATOM 0 HB2 CYS A 114 6.073 -2.943 6.712 1.00 0.00 H new ATOM 0 HB3 CYS A 114 5.627 -1.255 6.559 1.00 0.00 H new ATOM 0 HG CYS A 114 3.221 -2.092 7.383 1.00 0.00 H new ATOM 1737 N HIS A 115 5.286 -0.980 2.792 1.00 0.00 N ATOM 1738 CA HIS A 115 4.956 0.207 1.988 1.00 0.00 C ATOM 1739 C HIS A 115 3.707 0.881 2.543 1.00 0.00 C ATOM 1740 O HIS A 115 2.806 0.207 3.016 1.00 0.00 O ATOM 1741 CB HIS A 115 4.651 -0.195 0.557 1.00 0.00 C ATOM 1742 CG HIS A 115 5.896 -0.691 -0.159 1.00 0.00 C ATOM 1743 ND1 HIS A 115 6.335 -1.932 -0.130 1.00 0.00 N ATOM 1744 CD2 HIS A 115 6.702 0.061 -0.897 1.00 0.00 C ATOM 1745 CE1 HIS A 115 7.436 -1.956 -0.876 1.00 0.00 C ATOM 1746 NE2 HIS A 115 7.669 -0.737 -1.323 1.00 0.00 N ATOM 0 H HIS A 115 5.128 -1.867 2.313 1.00 0.00 H new ATOM 0 HA HIS A 115 5.811 0.883 2.023 1.00 0.00 H new ATOM 0 HB2 HIS A 115 3.891 -0.976 0.552 1.00 0.00 H new ATOM 0 HB3 HIS A 115 4.236 0.657 0.019 1.00 0.00 H new ATOM 0 HD1 HIS A 115 5.915 -2.718 0.366 1.00 0.00 H new ATOM 0 HD2 HIS A 115 6.591 1.114 -1.108 1.00 0.00 H new ATOM 0 HE1 HIS A 115 8.039 -2.828 -1.082 1.00 0.00 H new ATOM 1754 N LEU A 116 3.721 2.199 2.507 1.00 0.00 N ATOM 1755 CA LEU A 116 2.584 3.021 2.941 1.00 0.00 C ATOM 1756 C LEU A 116 1.988 3.807 1.784 1.00 0.00 C ATOM 1757 O LEU A 116 2.689 4.330 0.913 1.00 0.00 O ATOM 1758 CB LEU A 116 2.973 3.989 4.064 1.00 0.00 C ATOM 1759 CG LEU A 116 3.107 3.425 5.482 1.00 0.00 C ATOM 1760 CD1 LEU A 116 1.889 2.580 5.852 1.00 0.00 C ATOM 1761 CD2 LEU A 116 4.422 2.674 5.675 1.00 0.00 C ATOM 0 H LEU A 116 4.519 2.742 2.177 1.00 0.00 H new ATOM 0 HA LEU A 116 1.835 2.327 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.925 4.448 3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.231 4.787 4.090 1.00 0.00 H new ATOM 0 HG LEU A 116 3.136 4.266 6.174 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.009 2.192 6.863 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.991 3.196 5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.797 1.749 5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 116 4.476 2.291 6.694 1.00 0.00 H new ATOM 0 HD22 LEU A 116 4.473 1.843 4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 116 5.257 3.351 5.497 1.00 0.00 H new ATOM 1773 N PHE A 117 0.668 3.812 1.812 1.00 0.00 N ATOM 1774 CA PHE A 117 -0.166 4.428 0.776 1.00 0.00 C ATOM 1775 C PHE A 117 -1.438 5.026 1.375 1.00 0.00 C ATOM 1776 O PHE A 117 -1.894 4.583 2.417 1.00 0.00 O ATOM 1777 CB PHE A 117 -0.587 3.354 -0.219 1.00 0.00 C ATOM 1778 CG PHE A 117 0.580 2.656 -0.892 1.00 0.00 C ATOM 1779 CD1 PHE A 117 1.254 3.324 -1.899 1.00 0.00 C ATOM 1780 CD2 PHE A 117 0.979 1.387 -0.481 1.00 0.00 C ATOM 1781 CE1 PHE A 117 2.350 2.737 -2.501 1.00 0.00 C ATOM 1782 CE2 PHE A 117 2.072 0.808 -1.087 1.00 0.00 C ATOM 1783 CZ PHE A 117 2.777 1.487 -2.077 1.00 0.00 C ATOM 0 H PHE A 117 0.129 3.383 2.564 1.00 0.00 H new ATOM 0 HA PHE A 117 0.414 5.217 0.297 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -1.195 2.611 0.297 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -1.218 3.807 -0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 117 0.924 4.303 -2.214 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.442 0.867 0.298 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.871 3.248 -3.297 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.385 -0.182 -0.791 1.00 0.00 H new ATOM 0 HZ PHE A 117 3.657 1.040 -2.515 1.00 0.00 H new ATOM 1793 N ALA A 118 -1.969 6.044 0.721 1.00 0.00 N ATOM 1794 CA ALA A 118 -3.242 6.673 1.116 1.00 0.00 C ATOM 1795 C ALA A 118 -4.227 6.667 -0.051 1.00 0.00 C ATOM 1796 O ALA A 118 -3.840 6.801 -1.212 1.00 0.00 O ATOM 1797 CB ALA A 118 -3.006 8.114 1.567 1.00 0.00 C ATOM 0 H ALA A 118 -1.539 6.467 -0.101 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.660 6.099 1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -3.955 8.565 1.855 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.327 8.122 2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.567 8.684 0.748 1.00 0.00 H new ATOM 1803 N GLU A 119 -5.492 6.447 0.279 1.00 0.00 N ATOM 1804 CA GLU A 119 -6.583 6.511 -0.712 1.00 0.00 C ATOM 1805 C GLU A 119 -6.711 7.918 -1.322 1.00 0.00 C ATOM 1806 O GLU A 119 -6.844 8.903 -0.605 1.00 0.00 O ATOM 1807 CB GLU A 119 -7.906 6.034 -0.097 1.00 0.00 C ATOM 1808 CG GLU A 119 -8.425 6.862 1.087 1.00 0.00 C ATOM 1809 CD GLU A 119 -9.679 7.647 0.691 1.00 0.00 C ATOM 1810 OE1 GLU A 119 -10.756 7.017 0.776 1.00 0.00 O ATOM 1811 OE2 GLU A 119 -9.549 8.842 0.364 1.00 0.00 O ATOM 0 H GLU A 119 -5.799 6.221 1.225 1.00 0.00 H new ATOM 0 HA GLU A 119 -6.334 5.834 -1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -8.668 6.031 -0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -7.782 5.002 0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -8.652 6.204 1.926 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -7.650 7.551 1.423 1.00 0.00 H new ATOM 1818 N LEU A 120 -6.496 7.982 -2.630 1.00 0.00 N ATOM 1819 CA LEU A 120 -6.655 9.243 -3.388 1.00 0.00 C ATOM 1820 C LEU A 120 -8.038 9.321 -4.055 1.00 0.00 C ATOM 1821 O LEU A 120 -8.634 10.389 -4.173 1.00 0.00 O ATOM 1822 CB LEU A 120 -5.541 9.350 -4.435 1.00 0.00 C ATOM 1823 CG LEU A 120 -5.625 10.651 -5.243 1.00 0.00 C ATOM 1824 CD1 LEU A 120 -4.782 11.770 -4.633 1.00 0.00 C ATOM 1825 CD2 LEU A 120 -5.260 10.394 -6.700 1.00 0.00 C ATOM 0 H LEU A 120 -6.211 7.184 -3.198 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.580 10.081 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.572 9.295 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -5.600 8.499 -5.114 1.00 0.00 H new ATOM 0 HG LEU A 120 -6.658 10.998 -5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.875 12.669 -5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -5.131 11.979 -3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.737 11.461 -4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -5.324 11.326 -7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -4.243 10.005 -6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -5.951 9.666 -7.125 1.00 0.00 H new ATOM 1837 N ASP A 121 -8.559 8.157 -4.448 1.00 0.00 N ATOM 1838 CA ASP A 121 -9.878 8.062 -5.089 1.00 0.00 C ATOM 1839 C ASP A 121 -10.988 8.166 -4.025 1.00 0.00 C ATOM 1840 O ASP A 121 -11.116 7.249 -3.212 1.00 0.00 O ATOM 1841 CB ASP A 121 -10.032 6.743 -5.851 1.00 0.00 C ATOM 1842 CG ASP A 121 -9.007 6.548 -6.967 1.00 0.00 C ATOM 1843 OD1 ASP A 121 -8.783 7.501 -7.743 1.00 0.00 O ATOM 1844 OD2 ASP A 121 -8.460 5.428 -6.997 1.00 0.00 O ATOM 0 H ASP A 121 -8.086 7.260 -4.334 1.00 0.00 H new ATOM 0 HA ASP A 121 -9.965 8.885 -5.799 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -9.948 5.916 -5.146 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -11.033 6.697 -6.279 1.00 0.00 H new ATOM 1849 N PRO A 122 -11.871 9.166 -4.144 1.00 0.00 N ATOM 1850 CA PRO A 122 -13.046 9.301 -3.257 1.00 0.00 C ATOM 1851 C PRO A 122 -14.128 8.224 -3.487 1.00 0.00 C ATOM 1852 O PRO A 122 -15.068 8.102 -2.712 1.00 0.00 O ATOM 1853 CB PRO A 122 -13.547 10.723 -3.510 1.00 0.00 C ATOM 1854 CG PRO A 122 -13.179 10.978 -4.972 1.00 0.00 C ATOM 1855 CD PRO A 122 -11.845 10.251 -5.146 1.00 0.00 C ATOM 0 HA PRO A 122 -12.779 9.140 -2.213 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -14.622 10.805 -3.347 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -13.068 11.441 -2.845 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -13.938 10.587 -5.649 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -13.084 12.044 -5.180 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -11.740 9.854 -6.156 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -11.004 10.923 -4.979 1.00 0.00 H new ATOM 1863 N ASP A 123 -13.912 7.387 -4.504 1.00 0.00 N ATOM 1864 CA ASP A 123 -14.754 6.219 -4.836 1.00 0.00 C ATOM 1865 C ASP A 123 -14.122 4.884 -4.400 1.00 0.00 C ATOM 1866 O ASP A 123 -14.791 3.854 -4.381 1.00 0.00 O ATOM 1867 CB ASP A 123 -15.016 6.176 -6.345 1.00 0.00 C ATOM 1868 CG ASP A 123 -16.456 6.558 -6.693 1.00 0.00 C ATOM 1869 OD1 ASP A 123 -17.354 5.761 -6.348 1.00 0.00 O ATOM 1870 OD2 ASP A 123 -16.615 7.623 -7.326 1.00 0.00 O ATOM 0 H ASP A 123 -13.125 7.500 -5.143 1.00 0.00 H new ATOM 0 HA ASP A 123 -15.687 6.339 -4.286 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -14.330 6.855 -6.851 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -14.807 5.174 -6.720 1.00 0.00 H new ATOM 1875 N GLN A 124 -12.815 4.915 -4.135 1.00 0.00 N ATOM 1876 CA GLN A 124 -12.032 3.726 -3.757 1.00 0.00 C ATOM 1877 C GLN A 124 -11.197 4.028 -2.495 1.00 0.00 C ATOM 1878 O GLN A 124 -10.093 4.570 -2.598 1.00 0.00 O ATOM 1879 CB GLN A 124 -11.152 3.277 -4.929 1.00 0.00 C ATOM 1880 CG GLN A 124 -11.956 2.560 -6.019 1.00 0.00 C ATOM 1881 CD GLN A 124 -11.715 1.047 -6.050 1.00 0.00 C ATOM 1882 OE1 GLN A 124 -10.817 0.486 -5.428 1.00 0.00 O ATOM 1883 NE2 GLN A 124 -12.480 0.352 -6.858 1.00 0.00 N ATOM 0 H GLN A 124 -12.261 5.770 -4.176 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.708 2.904 -3.522 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -10.654 4.146 -5.360 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.371 2.612 -4.560 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -13.018 2.749 -5.862 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.697 2.983 -6.990 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -13.227 0.814 -7.376 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.328 -0.651 -6.968 1.00 0.00 H new ATOM 1892 N PRO A 125 -11.802 3.844 -1.313 1.00 0.00 N ATOM 1893 CA PRO A 125 -11.105 4.034 -0.027 1.00 0.00 C ATOM 1894 C PRO A 125 -10.052 2.952 0.217 1.00 0.00 C ATOM 1895 O PRO A 125 -10.102 1.868 -0.363 1.00 0.00 O ATOM 1896 CB PRO A 125 -12.208 4.055 1.035 1.00 0.00 C ATOM 1897 CG PRO A 125 -13.340 3.238 0.417 1.00 0.00 C ATOM 1898 CD PRO A 125 -13.221 3.501 -1.086 1.00 0.00 C ATOM 0 HA PRO A 125 -10.535 4.963 -0.006 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -11.866 3.616 1.972 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -12.527 5.073 1.257 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -13.235 2.177 0.645 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.311 3.551 0.800 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -13.510 2.622 -1.663 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -13.876 4.315 -1.396 1.00 0.00 H new ATOM 1906 N ALA A 126 -9.172 3.232 1.174 1.00 0.00 N ATOM 1907 CA ALA A 126 -8.054 2.329 1.517 1.00 0.00 C ATOM 1908 C ALA A 126 -8.555 0.986 2.074 1.00 0.00 C ATOM 1909 O ALA A 126 -8.264 -0.049 1.491 1.00 0.00 O ATOM 1910 CB ALA A 126 -7.097 3.014 2.492 1.00 0.00 C ATOM 0 H ALA A 126 -9.204 4.083 1.736 1.00 0.00 H new ATOM 0 HA ALA A 126 -7.509 2.107 0.600 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -6.279 2.336 2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.696 3.918 2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.633 3.277 3.404 1.00 0.00 H new ATOM 1916 N ALA A 127 -9.471 1.047 3.043 1.00 0.00 N ATOM 1917 CA ALA A 127 -10.185 -0.139 3.566 1.00 0.00 C ATOM 1918 C ALA A 127 -10.816 -1.019 2.478 1.00 0.00 C ATOM 1919 O ALA A 127 -10.466 -2.188 2.388 1.00 0.00 O ATOM 1920 CB ALA A 127 -11.243 0.291 4.585 1.00 0.00 C ATOM 0 H ALA A 127 -9.745 1.920 3.494 1.00 0.00 H new ATOM 0 HA ALA A 127 -9.430 -0.759 4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -11.763 -0.589 4.964 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -10.761 0.812 5.412 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -11.960 0.957 4.106 1.00 0.00 H new ATOM 1926 N ALA A 128 -11.540 -0.409 1.537 1.00 0.00 N ATOM 1927 CA ALA A 128 -12.107 -1.129 0.374 1.00 0.00 C ATOM 1928 C ALA A 128 -11.033 -1.710 -0.564 1.00 0.00 C ATOM 1929 O ALA A 128 -11.090 -2.892 -0.895 1.00 0.00 O ATOM 1930 CB ALA A 128 -13.059 -0.229 -0.413 1.00 0.00 C ATOM 0 H ALA A 128 -11.753 0.588 1.550 1.00 0.00 H new ATOM 0 HA ALA A 128 -12.661 -1.974 0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -13.462 -0.781 -1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -13.876 0.090 0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -12.518 0.646 -0.773 1.00 0.00 H new ATOM 1936 N ILE A 129 -9.944 -0.961 -0.741 1.00 0.00 N ATOM 1937 CA ILE A 129 -8.738 -1.407 -1.470 1.00 0.00 C ATOM 1938 C ILE A 129 -8.059 -2.609 -0.783 1.00 0.00 C ATOM 1939 O ILE A 129 -7.564 -3.504 -1.460 1.00 0.00 O ATOM 1940 CB ILE A 129 -7.839 -0.175 -1.749 1.00 0.00 C ATOM 1941 CG1 ILE A 129 -8.032 0.319 -3.193 1.00 0.00 C ATOM 1942 CG2 ILE A 129 -6.358 -0.266 -1.341 1.00 0.00 C ATOM 1943 CD1 ILE A 129 -7.604 -0.664 -4.298 1.00 0.00 C ATOM 0 H ILE A 129 -9.866 -0.011 -0.379 1.00 0.00 H new ATOM 0 HA ILE A 129 -9.001 -1.815 -2.446 1.00 0.00 H new ATOM 0 HB ILE A 129 -8.203 0.579 -1.051 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -9.085 0.562 -3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -7.471 1.245 -3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -5.853 0.666 -1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -6.286 -0.436 -0.267 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -5.885 -1.092 -1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.783 -0.214 -5.275 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.543 -0.891 -4.192 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -8.182 -1.584 -4.210 1.00 0.00 H new ATOM 1955 N VAL A 130 -8.189 -2.658 0.538 1.00 0.00 N ATOM 1956 CA VAL A 130 -7.714 -3.730 1.434 1.00 0.00 C ATOM 1957 C VAL A 130 -8.692 -4.923 1.522 1.00 0.00 C ATOM 1958 O VAL A 130 -8.279 -6.059 1.739 1.00 0.00 O ATOM 1959 CB VAL A 130 -7.349 -3.053 2.766 1.00 0.00 C ATOM 1960 CG1 VAL A 130 -7.366 -3.973 3.989 1.00 0.00 C ATOM 1961 CG2 VAL A 130 -5.958 -2.432 2.601 1.00 0.00 C ATOM 0 H VAL A 130 -8.655 -1.910 1.052 1.00 0.00 H new ATOM 0 HA VAL A 130 -6.823 -4.220 1.042 1.00 0.00 H new ATOM 0 HB VAL A 130 -8.120 -2.310 2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -7.095 -3.402 4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -8.365 -4.391 4.116 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -6.650 -4.782 3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -5.666 -1.942 3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -5.237 -3.213 2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -5.980 -1.699 1.795 1.00 0.00 H new ATOM 1971 N ASN A 131 -9.967 -4.648 1.290 1.00 0.00 N ATOM 1972 CA ASN A 131 -11.043 -5.654 1.271 1.00 0.00 C ATOM 1973 C ASN A 131 -11.031 -6.434 -0.056 1.00 0.00 C ATOM 1974 O ASN A 131 -11.191 -7.649 -0.078 1.00 0.00 O ATOM 1975 CB ASN A 131 -12.388 -4.951 1.470 1.00 0.00 C ATOM 1976 CG ASN A 131 -13.449 -5.944 1.938 1.00 0.00 C ATOM 1977 OD1 ASN A 131 -13.860 -6.857 1.235 1.00 0.00 O ATOM 1978 ND2 ASN A 131 -13.885 -5.798 3.166 1.00 0.00 N ATOM 0 H ASN A 131 -10.300 -3.702 1.105 1.00 0.00 H new ATOM 0 HA ASN A 131 -10.885 -6.368 2.079 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -12.282 -4.152 2.203 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -12.704 -4.487 0.536 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -14.573 -6.449 3.544 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -13.536 -5.033 3.744 1.00 0.00 H new ATOM 1985 N PHE A 132 -10.679 -5.720 -1.122 1.00 0.00 N ATOM 1986 CA PHE A 132 -10.509 -6.276 -2.472 1.00 0.00 C ATOM 1987 C PHE A 132 -9.156 -6.991 -2.621 1.00 0.00 C ATOM 1988 O PHE A 132 -9.124 -8.144 -3.028 1.00 0.00 O ATOM 1989 CB PHE A 132 -10.701 -5.133 -3.479 1.00 0.00 C ATOM 1990 CG PHE A 132 -10.124 -5.418 -4.864 1.00 0.00 C ATOM 1991 CD1 PHE A 132 -8.759 -5.212 -5.051 1.00 0.00 C ATOM 1992 CD2 PHE A 132 -10.890 -5.932 -5.900 1.00 0.00 C ATOM 1993 CE1 PHE A 132 -8.178 -5.520 -6.253 1.00 0.00 C ATOM 1994 CE2 PHE A 132 -10.297 -6.221 -7.126 1.00 0.00 C ATOM 1995 CZ PHE A 132 -8.938 -6.022 -7.309 1.00 0.00 C ATOM 0 H PHE A 132 -10.499 -4.717 -1.076 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.257 -7.045 -2.666 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -11.766 -4.925 -3.577 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -10.235 -4.231 -3.082 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -8.159 -4.810 -4.248 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -11.946 -6.108 -5.756 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -7.116 -5.372 -6.385 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -10.899 -6.602 -7.938 1.00 0.00 H new ATOM 0 HZ PHE A 132 -8.474 -6.253 -8.256 1.00 0.00 H new ATOM 2005 N VAL A 133 -8.070 -6.352 -2.189 1.00 0.00 N ATOM 2006 CA VAL A 133 -6.709 -6.911 -2.352 1.00 0.00 C ATOM 2007 C VAL A 133 -6.529 -8.235 -1.577 1.00 0.00 C ATOM 2008 O VAL A 133 -5.823 -9.135 -2.020 1.00 0.00 O ATOM 2009 CB VAL A 133 -5.671 -5.832 -1.998 1.00 0.00 C ATOM 2010 CG1 VAL A 133 -5.552 -5.571 -0.493 1.00 0.00 C ATOM 2011 CG2 VAL A 133 -4.318 -6.122 -2.647 1.00 0.00 C ATOM 0 H VAL A 133 -8.096 -5.446 -1.722 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.550 -7.186 -3.395 1.00 0.00 H new ATOM 0 HB VAL A 133 -6.044 -4.900 -2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -4.803 -4.799 -0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -6.514 -5.238 -0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -5.254 -6.489 0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.609 -5.340 -2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -3.946 -7.085 -2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -4.432 -6.148 -3.731 1.00 0.00 H new ATOM 2021 N SER A 134 -7.265 -8.330 -0.471 1.00 0.00 N ATOM 2022 CA SER A 134 -7.337 -9.534 0.374 1.00 0.00 C ATOM 2023 C SER A 134 -8.302 -10.588 -0.186 1.00 0.00 C ATOM 2024 O SER A 134 -7.976 -11.772 -0.196 1.00 0.00 O ATOM 2025 CB SER A 134 -7.757 -9.158 1.793 1.00 0.00 C ATOM 2026 OG SER A 134 -6.752 -9.603 2.703 1.00 0.00 O ATOM 0 H SER A 134 -7.841 -7.562 -0.126 1.00 0.00 H new ATOM 0 HA SER A 134 -6.340 -9.974 0.385 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.889 -8.079 1.874 1.00 0.00 H new ATOM 0 HB3 SER A 134 -8.716 -9.615 2.037 1.00 0.00 H new ATOM 0 HG SER A 134 -7.011 -9.365 3.618 1.00 0.00 H new ATOM 2032 N ARG A 135 -9.399 -10.138 -0.801 1.00 0.00 N ATOM 2033 CA ARG A 135 -10.366 -11.054 -1.437 1.00 0.00 C ATOM 2034 C ARG A 135 -9.823 -11.631 -2.763 1.00 0.00 C ATOM 2035 O ARG A 135 -10.171 -12.739 -3.157 1.00 0.00 O ATOM 2036 CB ARG A 135 -11.747 -10.381 -1.549 1.00 0.00 C ATOM 2037 CG ARG A 135 -12.105 -9.576 -2.806 1.00 0.00 C ATOM 2038 CD ARG A 135 -12.528 -10.524 -3.931 1.00 0.00 C ATOM 2039 NE ARG A 135 -13.731 -10.021 -4.599 1.00 0.00 N ATOM 2040 CZ ARG A 135 -14.509 -10.717 -5.434 1.00 0.00 C ATOM 2041 NH1 ARG A 135 -14.273 -11.995 -5.713 1.00 0.00 N ATOM 2042 NH2 ARG A 135 -15.572 -10.133 -5.954 1.00 0.00 N ATOM 0 H ARG A 135 -9.644 -9.151 -0.875 1.00 0.00 H new ATOM 0 HA ARG A 135 -10.506 -11.926 -0.799 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -12.499 -11.162 -1.438 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -11.853 -9.713 -0.694 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.913 -8.879 -2.584 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -11.249 -8.981 -3.123 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -11.718 -10.625 -4.654 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -12.718 -11.518 -3.525 1.00 0.00 H new ATOM 0 HE ARG A 135 -13.998 -9.055 -4.410 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -13.479 -12.472 -5.286 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -14.886 -12.499 -6.355 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -15.789 -9.165 -5.717 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -16.176 -10.650 -6.593 1.00 0.00 H new ATOM 2056 N VAL A 136 -9.021 -10.821 -3.453 1.00 0.00 N ATOM 2057 CA VAL A 136 -8.357 -11.141 -4.734 1.00 0.00 C ATOM 2058 C VAL A 136 -7.157 -12.086 -4.554 1.00 0.00 C ATOM 2059 O VAL A 136 -6.873 -12.874 -5.454 1.00 0.00 O ATOM 2060 CB VAL A 136 -8.029 -9.833 -5.486 1.00 0.00 C ATOM 2061 CG1 VAL A 136 -7.087 -9.987 -6.689 1.00 0.00 C ATOM 2062 CG2 VAL A 136 -9.337 -9.257 -6.027 1.00 0.00 C ATOM 0 H VAL A 136 -8.801 -9.880 -3.127 1.00 0.00 H new ATOM 0 HA VAL A 136 -9.044 -11.709 -5.362 1.00 0.00 H new ATOM 0 HB VAL A 136 -7.522 -9.197 -4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.920 -9.012 -7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -6.135 -10.399 -6.355 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.537 -10.659 -7.420 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -9.132 -8.331 -6.564 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -9.798 -9.975 -6.705 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -10.015 -9.054 -5.198 1.00 0.00 H new ATOM 2072 N MET A 137 -6.552 -12.058 -3.367 1.00 0.00 N ATOM 2073 CA MET A 137 -5.479 -12.999 -2.967 1.00 0.00 C ATOM 2074 C MET A 137 -5.834 -14.482 -3.168 1.00 0.00 C ATOM 2075 O MET A 137 -4.956 -15.335 -3.264 1.00 0.00 O ATOM 2076 CB MET A 137 -5.134 -12.742 -1.501 1.00 0.00 C ATOM 2077 CG MET A 137 -3.971 -11.754 -1.388 1.00 0.00 C ATOM 2078 SD MET A 137 -3.796 -10.929 0.237 1.00 0.00 S ATOM 2079 CE MET A 137 -3.720 -12.305 1.365 1.00 0.00 C ATOM 0 H MET A 137 -6.787 -11.380 -2.642 1.00 0.00 H new ATOM 0 HA MET A 137 -4.627 -12.811 -3.620 1.00 0.00 H new ATOM 0 HB2 MET A 137 -6.006 -12.347 -0.980 1.00 0.00 H new ATOM 0 HB3 MET A 137 -4.870 -13.681 -1.014 1.00 0.00 H new ATOM 0 HG2 MET A 137 -3.044 -12.283 -1.609 1.00 0.00 H new ATOM 0 HG3 MET A 137 -4.091 -10.988 -2.154 1.00 0.00 H new ATOM 0 HE1 MET A 137 -3.560 -11.936 2.378 1.00 0.00 H new ATOM 0 HE2 MET A 137 -4.657 -12.861 1.325 1.00 0.00 H new ATOM 0 HE3 MET A 137 -2.896 -12.961 1.084 1.00 0.00 H new ATOM 2089 N LEU A 138 -7.138 -14.748 -3.162 1.00 0.00 N ATOM 2090 CA LEU A 138 -7.735 -16.067 -3.430 1.00 0.00 C ATOM 2091 C LEU A 138 -8.723 -16.065 -4.612 1.00 0.00 C ATOM 2092 O LEU A 138 -8.641 -16.921 -5.490 1.00 0.00 O ATOM 2093 CB LEU A 138 -8.350 -16.623 -2.132 1.00 0.00 C ATOM 2094 CG LEU A 138 -9.154 -15.601 -1.312 1.00 0.00 C ATOM 2095 CD1 LEU A 138 -10.661 -15.778 -1.495 1.00 0.00 C ATOM 2096 CD2 LEU A 138 -8.765 -15.684 0.164 1.00 0.00 C ATOM 0 H LEU A 138 -7.837 -14.032 -2.965 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.939 -16.739 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -9.002 -17.459 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -7.549 -17.020 -1.508 1.00 0.00 H new ATOM 0 HG LEU A 138 -8.906 -14.607 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -11.190 -15.035 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.918 -15.648 -2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.952 -16.777 -1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -9.341 -14.955 0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.974 -16.686 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.702 -15.470 0.273 1.00 0.00 H new ATOM 2108 N GLY A 139 -9.576 -15.029 -4.668 1.00 0.00 N ATOM 2109 CA GLY A 139 -10.618 -14.900 -5.705 1.00 0.00 C ATOM 2110 C GLY A 139 -11.777 -15.854 -5.389 1.00 0.00 C ATOM 2111 O GLY A 139 -11.835 -16.430 -4.306 1.00 0.00 O ATOM 0 H GLY A 139 -9.565 -14.259 -3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -10.980 -13.873 -5.746 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -10.201 -15.130 -6.685 1.00 0.00 H new ATOM 2115 N SER A 140 -12.650 -16.061 -6.376 1.00 0.00 N ATOM 2116 CA SER A 140 -13.886 -16.868 -6.217 1.00 0.00 C ATOM 2117 C SER A 140 -14.798 -16.315 -5.115 1.00 0.00 C ATOM 2118 O SER A 140 -14.604 -16.540 -3.922 1.00 0.00 O ATOM 2119 CB SER A 140 -13.627 -18.354 -5.929 1.00 0.00 C ATOM 2120 OG SER A 140 -13.540 -19.098 -7.144 1.00 0.00 O ATOM 0 H SER A 140 -12.530 -15.678 -7.314 1.00 0.00 H new ATOM 0 HA SER A 140 -14.379 -16.791 -7.186 1.00 0.00 H new ATOM 0 HB2 SER A 140 -12.702 -18.464 -5.363 1.00 0.00 H new ATOM 0 HB3 SER A 140 -14.429 -18.754 -5.309 1.00 0.00 H new ATOM 0 HG SER A 140 -13.373 -20.042 -6.939 1.00 0.00 H new ATOM 2126 N GLY A 141 -15.782 -15.541 -5.578 1.00 0.00 N ATOM 2127 CA GLY A 141 -16.707 -14.847 -4.664 1.00 0.00 C ATOM 2128 C GLY A 141 -18.094 -14.761 -5.288 1.00 0.00 C ATOM 2129 O GLY A 141 -18.824 -15.748 -5.339 1.00 0.00 O ATOM 0 H GLY A 141 -15.962 -15.377 -6.568 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -16.760 -15.379 -3.714 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -16.334 -13.846 -4.448 1.00 0.00 H new ATOM 2133 N GLN A 142 -18.311 -13.613 -5.931 1.00 0.00 N ATOM 2134 CA GLN A 142 -19.558 -13.211 -6.620 1.00 0.00 C ATOM 2135 C GLN A 142 -20.755 -13.062 -5.661 1.00 0.00 C ATOM 2136 O GLN A 142 -21.306 -11.968 -5.534 1.00 0.00 O ATOM 2137 CB GLN A 142 -19.827 -14.169 -7.797 1.00 0.00 C ATOM 2138 CG GLN A 142 -20.938 -13.695 -8.739 1.00 0.00 C ATOM 2139 CD GLN A 142 -22.259 -14.455 -8.593 1.00 0.00 C ATOM 2140 OE1 GLN A 142 -22.464 -15.346 -7.775 1.00 0.00 O ATOM 2141 NE2 GLN A 142 -23.188 -14.121 -9.455 1.00 0.00 N ATOM 0 H GLN A 142 -17.590 -12.894 -5.994 1.00 0.00 H new ATOM 0 HA GLN A 142 -19.421 -12.209 -7.028 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -18.908 -14.294 -8.369 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -20.092 -15.150 -7.402 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -21.121 -12.635 -8.561 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -20.590 -13.790 -9.768 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -23.012 -13.379 -10.133 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -24.087 -14.603 -9.448 1.00 0.00 H new ATOM 2150 N LYS A 143 -20.988 -14.095 -4.855 1.00 0.00 N ATOM 2151 CA LYS A 143 -22.040 -14.141 -3.831 1.00 0.00 C ATOM 2152 C LYS A 143 -21.462 -14.460 -2.444 1.00 0.00 C ATOM 2153 O LYS A 143 -20.979 -15.558 -2.185 1.00 0.00 O ATOM 2154 CB LYS A 143 -23.112 -15.146 -4.257 1.00 0.00 C ATOM 2155 CG LYS A 143 -24.390 -14.396 -4.632 1.00 0.00 C ATOM 2156 CD LYS A 143 -25.378 -14.395 -3.464 1.00 0.00 C ATOM 2157 CE LYS A 143 -26.422 -13.291 -3.632 1.00 0.00 C ATOM 2158 NZ LYS A 143 -27.576 -13.519 -2.751 1.00 0.00 N ATOM 0 H LYS A 143 -20.436 -14.952 -4.894 1.00 0.00 H new ATOM 0 HA LYS A 143 -22.502 -13.158 -3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -22.759 -15.733 -5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -23.313 -15.846 -3.446 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -24.147 -13.371 -4.911 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -24.849 -14.863 -5.503 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -25.874 -15.364 -3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -24.839 -14.252 -2.527 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -25.973 -12.324 -3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -26.754 -13.254 -4.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -28.270 -12.756 -2.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -28.016 -14.432 -2.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -27.260 -13.530 -1.760 1.00 0.00 H new ATOM 2172 N ARG A 144 -21.337 -13.391 -1.668 1.00 0.00 N ATOM 2173 CA ARG A 144 -20.831 -13.455 -0.277 1.00 0.00 C ATOM 2174 C ARG A 144 -21.939 -13.359 0.796 1.00 0.00 C ATOM 2175 O ARG A 144 -22.240 -14.415 1.389 1.00 0.00 O ATOM 2176 CB ARG A 144 -19.707 -12.428 -0.056 1.00 0.00 C ATOM 2177 CG ARG A 144 -20.124 -10.971 -0.294 1.00 0.00 C ATOM 2178 CD ARG A 144 -19.083 -10.028 0.296 1.00 0.00 C ATOM 2179 NE ARG A 144 -19.754 -8.904 0.971 1.00 0.00 N ATOM 2180 CZ ARG A 144 -19.147 -7.983 1.728 1.00 0.00 C ATOM 2181 NH1 ARG A 144 -17.838 -8.033 1.945 1.00 0.00 N ATOM 2182 NH2 ARG A 144 -19.839 -7.015 2.304 1.00 0.00 N ATOM 2183 OXT ARG A 144 -22.516 -12.257 0.962 1.00 99.99 O ATOM 0 H ARG A 144 -21.580 -12.448 -1.973 1.00 0.00 H new ATOM 0 HA ARG A 144 -20.408 -14.451 -0.147 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -19.338 -12.525 0.965 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -18.876 -12.668 -0.719 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -20.231 -10.785 -1.363 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -21.096 -10.783 0.161 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -18.452 -10.565 1.004 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -18.430 -9.653 -0.492 1.00 0.00 H new ATOM 0 HE ARG A 144 -20.764 -8.821 0.852 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -17.281 -8.781 1.532 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -17.390 -7.323 2.525 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -20.849 -6.963 2.174 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -19.363 -6.320 2.878 1.00 0.00 H new TER 2197 ARG A 144