USER MOD reduce.3.24.130724 H: found=0, std=0, add=1242, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1246 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: B 49 LYS NZ :NH3+ -112:sc= -2.56! (180deg=-1.05) USER MOD Set 1.2: B 86 ASN : amide:sc= -1.89 K(o=-4.5,f=-12!) USER MOD Set 2.1: B 34 LYS NZ :NH3+ -151:sc= -2.57 (180deg=-1.41!) USER MOD Set 2.2: B 38 GLN :FLIP amide:sc= -2.55 F(o=-14!,f=-8.9) USER MOD Set 2.3: B 58 MET CE :methyl -174:sc= -3.77 (180deg=-2.05) USER MOD Set 3.1: B 30 LYS NZ :NH3+ -116:sc= -5.31 (180deg=-6.32!) USER MOD Set 3.2: B 64 ASN : amide:sc= -7.16! C(o=-12!,f=-17!) USER MOD Set 4.1: A 49 LYS NZ :NH3+ -109:sc= -2.47! (180deg=-1.08) USER MOD Set 4.2: A 86 ASN : amide:sc= -2.05 K(o=-4.5,f=-12!) USER MOD Set 5.1: A 82 THR OG1 : rot 180:sc= 0.0409 USER MOD Set 5.2: B 8 MET CE :methyl 151:sc= -0.0788 (180deg=-1.58) USER MOD Set 6.1: A 34 LYS NZ :NH3+ -157:sc= -2.37 (180deg=-1.26!) USER MOD Set 6.2: A 38 GLN :FLIP amide:sc= -2.22 F(o=-13!,f=-8.8) USER MOD Set 6.3: A 58 MET CE :methyl -177:sc= -4.18 (180deg=-1.82) USER MOD Set 7.1: A 30 LYS NZ :NH3+ -113:sc= -5.18 (180deg=-6.07!) USER MOD Set 7.2: A 64 ASN : amide:sc= -7.17! C(o=-12!,f=-17!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 153:sc= -0.0452 (180deg=-1.37) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.782 K(o=-0.78,f=-1.9!) USER MOD Single : A 16 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.24) USER MOD Single : A 18 HIS : no HD1:sc= -3.64! C(o=-3.6!,f=-6.4!) USER MOD Single : A 19 SER OG : rot -125:sc= 1.32 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 1.1 (180deg=1.06) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -160:sc= 0.901 (180deg=-0.531) USER MOD Single : A 39 THR OG1 : rot 92:sc= 0.989 USER MOD Single : A 42 SER OG : rot 77:sc= 0.0457 USER MOD Single : A 43 SER OG : rot 36:sc= 1.26 USER MOD Single : A 48 GLN : amide:sc= -0.721 X(o=-0.72,f=-0.29) USER MOD Single : A 56 LYS NZ :NH3+ -160:sc= -0.128 (180deg=-0.794) USER MOD Single : A 59 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.145) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.705 F(o=-1.9,f=-0.71) USER MOD Single : A 85 CYS SG : rot -110:sc= -0.763! USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 ASN : amide:sc= -0.734 K(o=-0.73,f=-2.2!) USER MOD Single : B 16 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.22) USER MOD Single : B 18 HIS : no HD1:sc= -3.67! C(o=-3.7!,f=-6.3!) USER MOD Single : B 19 SER OG : rot -121:sc= 1.47 USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 LYS NZ :NH3+ -179:sc= 1.31 (180deg=1.29) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ -159:sc= 1.09 (180deg=-0.272) USER MOD Single : B 39 THR OG1 : rot 99:sc= 0.987 USER MOD Single : B 42 SER OG : rot 75:sc= 0.0433 USER MOD Single : B 43 SER OG : rot 47:sc= 1.25 USER MOD Single : B 48 GLN : amide:sc= -0.66 X(o=-0.66,f=-0.5) USER MOD Single : B 56 LYS NZ :NH3+ -159:sc= -0.106 (180deg=-0.716) USER MOD Single : B 59 LYS NZ :NH3+ -166:sc= -0.0133 (180deg=-0.23) USER MOD Single : B 72 GLN :FLIP amide:sc= -0.782 F(o=-1.8,f=-0.78) USER MOD Single : B 82 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : B 85 CYS SG : rot -113:sc= -0.456 USER MOD ----------------------------------------------------------------- ATOM 21 N GLU A 3 58.601 0.732 -7.803 1.00 0.00 N ATOM 22 CA GLU A 3 59.033 -0.369 -6.894 1.00 0.00 C ATOM 23 C GLU A 3 60.281 0.049 -6.094 1.00 0.00 C ATOM 24 O GLU A 3 60.304 -0.061 -4.884 1.00 0.00 O ATOM 25 CB GLU A 3 59.349 -1.611 -7.739 1.00 0.00 C ATOM 26 CG GLU A 3 58.081 -2.083 -8.454 1.00 0.00 C ATOM 27 CD GLU A 3 58.401 -3.311 -9.310 1.00 0.00 C ATOM 28 OE1 GLU A 3 59.572 -3.606 -9.471 1.00 0.00 O ATOM 29 OE2 GLU A 3 57.470 -3.928 -9.801 1.00 0.00 O ATOM 0 HA GLU A 3 58.232 -0.590 -6.188 1.00 0.00 H new ATOM 0 HB2 GLU A 3 60.125 -1.379 -8.469 1.00 0.00 H new ATOM 0 HB3 GLU A 3 59.737 -2.407 -7.103 1.00 0.00 H new ATOM 0 HG2 GLU A 3 57.309 -2.327 -7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 3 57.686 -1.283 -9.081 1.00 0.00 H new ATOM 36 N LEU A 4 61.314 0.531 -6.743 1.00 0.00 N ATOM 37 CA LEU A 4 62.535 0.953 -5.981 1.00 0.00 C ATOM 38 C LEU A 4 62.249 2.247 -5.211 1.00 0.00 C ATOM 39 O LEU A 4 62.698 2.423 -4.096 1.00 0.00 O ATOM 40 CB LEU A 4 63.728 1.173 -6.926 1.00 0.00 C ATOM 41 CG LEU A 4 64.095 -0.133 -7.650 1.00 0.00 C ATOM 42 CD1 LEU A 4 65.142 0.165 -8.726 1.00 0.00 C ATOM 43 CD2 LEU A 4 64.676 -1.158 -6.655 1.00 0.00 C ATOM 0 H LEU A 4 61.366 0.650 -7.755 1.00 0.00 H new ATOM 0 HA LEU A 4 62.789 0.157 -5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 4 63.482 1.943 -7.657 1.00 0.00 H new ATOM 0 HB3 LEU A 4 64.586 1.534 -6.359 1.00 0.00 H new ATOM 0 HG LEU A 4 63.195 -0.548 -8.102 1.00 0.00 H new ATOM 0 HD11 LEU A 4 65.406 -0.758 -9.242 1.00 0.00 H new ATOM 0 HD12 LEU A 4 64.734 0.878 -9.443 1.00 0.00 H new ATOM 0 HD13 LEU A 4 66.032 0.587 -8.260 1.00 0.00 H new ATOM 0 HD21 LEU A 4 64.930 -2.076 -7.185 1.00 0.00 H new ATOM 0 HD22 LEU A 4 65.573 -0.747 -6.191 1.00 0.00 H new ATOM 0 HD23 LEU A 4 63.937 -1.377 -5.885 1.00 0.00 H new ATOM 55 N GLU A 5 61.524 3.162 -5.799 1.00 0.00 N ATOM 56 CA GLU A 5 61.236 4.450 -5.097 1.00 0.00 C ATOM 57 C GLU A 5 60.486 4.160 -3.794 1.00 0.00 C ATOM 58 O GLU A 5 60.750 4.760 -2.771 1.00 0.00 O ATOM 59 CB GLU A 5 60.375 5.340 -6.005 1.00 0.00 C ATOM 60 CG GLU A 5 60.078 6.681 -5.322 1.00 0.00 C ATOM 61 CD GLU A 5 61.376 7.480 -5.189 1.00 0.00 C ATOM 62 OE1 GLU A 5 62.348 7.100 -5.822 1.00 0.00 O ATOM 63 OE2 GLU A 5 61.375 8.459 -4.462 1.00 0.00 O ATOM 0 H GLU A 5 61.120 3.075 -6.731 1.00 0.00 H new ATOM 0 HA GLU A 5 62.170 4.963 -4.868 1.00 0.00 H new ATOM 0 HB2 GLU A 5 60.891 5.513 -6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 5 59.440 4.831 -6.242 1.00 0.00 H new ATOM 0 HG2 GLU A 5 59.349 7.245 -5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 5 59.639 6.512 -4.339 1.00 0.00 H new ATOM 70 N THR A 6 59.565 3.239 -3.813 1.00 0.00 N ATOM 71 CA THR A 6 58.820 2.917 -2.564 1.00 0.00 C ATOM 72 C THR A 6 59.795 2.416 -1.497 1.00 0.00 C ATOM 73 O THR A 6 59.676 2.735 -0.331 1.00 0.00 O ATOM 74 CB THR A 6 57.776 1.833 -2.852 1.00 0.00 C ATOM 75 OG1 THR A 6 56.864 2.307 -3.832 1.00 0.00 O ATOM 76 CG2 THR A 6 57.020 1.481 -1.564 1.00 0.00 C ATOM 0 H THR A 6 59.296 2.697 -4.634 1.00 0.00 H new ATOM 0 HA THR A 6 58.319 3.815 -2.203 1.00 0.00 H new ATOM 0 HB THR A 6 58.276 0.938 -3.224 1.00 0.00 H new ATOM 0 HG1 THR A 6 56.196 1.615 -4.019 1.00 0.00 H new ATOM 0 HG21 THR A 6 56.279 0.710 -1.776 1.00 0.00 H new ATOM 0 HG22 THR A 6 57.724 1.113 -0.818 1.00 0.00 H new ATOM 0 HG23 THR A 6 56.519 2.370 -1.182 1.00 0.00 H new ATOM 84 N ALA A 7 60.752 1.621 -1.889 1.00 0.00 N ATOM 85 CA ALA A 7 61.730 1.078 -0.902 1.00 0.00 C ATOM 86 C ALA A 7 62.496 2.214 -0.213 1.00 0.00 C ATOM 87 O ALA A 7 62.754 2.158 0.969 1.00 0.00 O ATOM 88 CB ALA A 7 62.724 0.165 -1.623 1.00 0.00 C ATOM 0 H ALA A 7 60.900 1.323 -2.853 1.00 0.00 H new ATOM 0 HA ALA A 7 61.184 0.515 -0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 7 63.440 -0.233 -0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 7 62.187 -0.658 -2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 7 63.255 0.735 -2.386 1.00 0.00 H new ATOM 94 N MET A 8 62.874 3.236 -0.933 1.00 0.00 N ATOM 95 CA MET A 8 63.630 4.355 -0.292 1.00 0.00 C ATOM 96 C MET A 8 62.796 5.000 0.822 1.00 0.00 C ATOM 97 O MET A 8 63.306 5.347 1.868 1.00 0.00 O ATOM 98 CB MET A 8 63.977 5.416 -1.353 1.00 0.00 C ATOM 99 CG MET A 8 65.244 5.009 -2.138 1.00 0.00 C ATOM 100 SD MET A 8 66.690 5.826 -1.404 1.00 0.00 S ATOM 101 CE MET A 8 67.924 4.563 -1.802 1.00 0.00 C ATOM 0 H MET A 8 62.694 3.346 -1.931 1.00 0.00 H new ATOM 0 HA MET A 8 64.546 3.954 0.143 1.00 0.00 H new ATOM 0 HB2 MET A 8 63.140 5.537 -2.041 1.00 0.00 H new ATOM 0 HB3 MET A 8 64.136 6.381 -0.871 1.00 0.00 H new ATOM 0 HG2 MET A 8 65.371 3.927 -2.112 1.00 0.00 H new ATOM 0 HG3 MET A 8 65.144 5.293 -3.186 1.00 0.00 H new ATOM 0 HE1 MET A 8 68.906 5.028 -1.886 1.00 0.00 H new ATOM 0 HE2 MET A 8 67.944 3.812 -1.012 1.00 0.00 H new ATOM 0 HE3 MET A 8 67.666 4.087 -2.748 1.00 0.00 H new ATOM 111 N GLU A 9 61.525 5.188 0.598 1.00 0.00 N ATOM 112 CA GLU A 9 60.679 5.837 1.638 1.00 0.00 C ATOM 113 C GLU A 9 60.607 4.961 2.892 1.00 0.00 C ATOM 114 O GLU A 9 60.634 5.449 4.004 1.00 0.00 O ATOM 115 CB GLU A 9 59.269 6.023 1.080 1.00 0.00 C ATOM 116 CG GLU A 9 59.290 7.094 -0.010 1.00 0.00 C ATOM 117 CD GLU A 9 57.915 7.171 -0.674 1.00 0.00 C ATOM 118 OE1 GLU A 9 57.663 6.375 -1.565 1.00 0.00 O ATOM 119 OE2 GLU A 9 57.136 8.024 -0.281 1.00 0.00 O ATOM 0 H GLU A 9 61.037 4.921 -0.257 1.00 0.00 H new ATOM 0 HA GLU A 9 61.116 6.800 1.904 1.00 0.00 H new ATOM 0 HB2 GLU A 9 58.900 5.082 0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 9 58.586 6.314 1.878 1.00 0.00 H new ATOM 0 HG2 GLU A 9 59.553 8.061 0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 9 60.052 6.857 -0.753 1.00 0.00 H new ATOM 126 N THR A 10 60.501 3.674 2.721 1.00 0.00 N ATOM 127 CA THR A 10 60.404 2.767 3.901 1.00 0.00 C ATOM 128 C THR A 10 61.705 2.789 4.713 1.00 0.00 C ATOM 129 O THR A 10 61.684 2.757 5.926 1.00 0.00 O ATOM 130 CB THR A 10 60.131 1.340 3.419 1.00 0.00 C ATOM 131 OG1 THR A 10 58.911 1.315 2.692 1.00 0.00 O ATOM 132 CG2 THR A 10 60.016 0.406 4.624 1.00 0.00 C ATOM 0 H THR A 10 60.477 3.208 1.814 1.00 0.00 H new ATOM 0 HA THR A 10 59.590 3.110 4.540 1.00 0.00 H new ATOM 0 HB THR A 10 60.950 1.011 2.779 1.00 0.00 H new ATOM 0 HG1 THR A 10 58.734 0.403 2.381 1.00 0.00 H new ATOM 0 HG21 THR A 10 59.822 -0.610 4.280 1.00 0.00 H new ATOM 0 HG22 THR A 10 60.948 0.425 5.190 1.00 0.00 H new ATOM 0 HG23 THR A 10 59.197 0.736 5.263 1.00 0.00 H new ATOM 140 N LEU A 11 62.836 2.818 4.062 1.00 0.00 N ATOM 141 CA LEU A 11 64.125 2.811 4.811 1.00 0.00 C ATOM 142 C LEU A 11 64.219 4.026 5.727 1.00 0.00 C ATOM 143 O LEU A 11 64.697 3.933 6.835 1.00 0.00 O ATOM 144 CB LEU A 11 65.294 2.840 3.820 1.00 0.00 C ATOM 145 CG LEU A 11 65.333 1.541 3.004 1.00 0.00 C ATOM 146 CD1 LEU A 11 66.355 1.692 1.873 1.00 0.00 C ATOM 147 CD2 LEU A 11 65.725 0.351 3.904 1.00 0.00 C ATOM 0 H LEU A 11 62.923 2.846 3.046 1.00 0.00 H new ATOM 0 HA LEU A 11 64.169 1.905 5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 11 65.192 3.695 3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 11 66.233 2.967 4.359 1.00 0.00 H new ATOM 0 HG LEU A 11 64.344 1.349 2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 11 66.389 0.773 1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 11 66.065 2.522 1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 11 67.340 1.889 2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 11 65.748 -0.562 3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 11 66.711 0.529 4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 11 64.994 0.244 4.705 1.00 0.00 H new ATOM 159 N ILE A 12 63.785 5.163 5.279 1.00 0.00 N ATOM 160 CA ILE A 12 63.871 6.371 6.143 1.00 0.00 C ATOM 161 C ILE A 12 62.995 6.191 7.388 1.00 0.00 C ATOM 162 O ILE A 12 63.378 6.539 8.487 1.00 0.00 O ATOM 163 CB ILE A 12 63.393 7.587 5.350 1.00 0.00 C ATOM 164 CG1 ILE A 12 64.359 7.841 4.187 1.00 0.00 C ATOM 165 CG2 ILE A 12 63.353 8.810 6.265 1.00 0.00 C ATOM 166 CD1 ILE A 12 63.768 8.890 3.243 1.00 0.00 C ATOM 0 H ILE A 12 63.376 5.312 4.357 1.00 0.00 H new ATOM 0 HA ILE A 12 64.904 6.518 6.458 1.00 0.00 H new ATOM 0 HB ILE A 12 62.393 7.401 4.958 1.00 0.00 H new ATOM 0 HG12 ILE A 12 65.321 8.183 4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 12 64.543 6.913 3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 12 63.012 9.677 5.699 1.00 0.00 H new ATOM 0 HG22 ILE A 12 62.667 8.624 7.092 1.00 0.00 H new ATOM 0 HG23 ILE A 12 64.351 9.003 6.658 1.00 0.00 H new ATOM 0 HD11 ILE A 12 64.458 9.067 2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 12 62.817 8.531 2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 12 63.607 9.820 3.788 1.00 0.00 H new ATOM 178 N ASN A 13 61.814 5.668 7.217 1.00 0.00 N ATOM 179 CA ASN A 13 60.895 5.480 8.376 1.00 0.00 C ATOM 180 C ASN A 13 61.504 4.543 9.433 1.00 0.00 C ATOM 181 O ASN A 13 61.365 4.763 10.620 1.00 0.00 O ATOM 182 CB ASN A 13 59.578 4.890 7.862 1.00 0.00 C ATOM 183 CG ASN A 13 58.588 4.726 9.018 1.00 0.00 C ATOM 184 OD1 ASN A 13 58.867 5.118 10.132 1.00 0.00 O ATOM 185 ND2 ASN A 13 57.432 4.165 8.791 1.00 0.00 N ATOM 0 H ASN A 13 61.442 5.360 6.318 1.00 0.00 H new ATOM 0 HA ASN A 13 60.725 6.447 8.850 1.00 0.00 H new ATOM 0 HB2 ASN A 13 59.153 5.541 7.098 1.00 0.00 H new ATOM 0 HB3 ASN A 13 59.762 3.924 7.391 1.00 0.00 H new ATOM 0 HD21 ASN A 13 56.760 4.055 9.551 1.00 0.00 H new ATOM 0 HD22 ASN A 13 57.200 3.836 7.854 1.00 0.00 H new ATOM 192 N VAL A 14 62.157 3.487 9.027 1.00 0.00 N ATOM 193 CA VAL A 14 62.733 2.547 10.037 1.00 0.00 C ATOM 194 C VAL A 14 63.955 3.163 10.732 1.00 0.00 C ATOM 195 O VAL A 14 64.150 3.003 11.925 1.00 0.00 O ATOM 196 CB VAL A 14 63.125 1.234 9.367 1.00 0.00 C ATOM 197 CG1 VAL A 14 63.564 0.231 10.442 1.00 0.00 C ATOM 198 CG2 VAL A 14 61.921 0.676 8.603 1.00 0.00 C ATOM 0 H VAL A 14 62.316 3.235 8.052 1.00 0.00 H new ATOM 0 HA VAL A 14 61.971 2.354 10.792 1.00 0.00 H new ATOM 0 HB VAL A 14 63.947 1.405 8.671 1.00 0.00 H new ATOM 0 HG11 VAL A 14 63.845 -0.710 9.969 1.00 0.00 H new ATOM 0 HG12 VAL A 14 64.418 0.633 10.987 1.00 0.00 H new ATOM 0 HG13 VAL A 14 62.741 0.057 11.135 1.00 0.00 H new ATOM 0 HG21 VAL A 14 62.198 -0.263 8.123 1.00 0.00 H new ATOM 0 HG22 VAL A 14 61.099 0.500 9.297 1.00 0.00 H new ATOM 0 HG23 VAL A 14 61.607 1.393 7.844 1.00 0.00 H new ATOM 208 N PHE A 15 64.787 3.863 10.006 1.00 0.00 N ATOM 209 CA PHE A 15 65.990 4.471 10.648 1.00 0.00 C ATOM 210 C PHE A 15 65.496 5.321 11.807 1.00 0.00 C ATOM 211 O PHE A 15 66.095 5.383 12.861 1.00 0.00 O ATOM 212 CB PHE A 15 66.737 5.372 9.654 1.00 0.00 C ATOM 213 CG PHE A 15 67.211 4.616 8.416 1.00 0.00 C ATOM 214 CD1 PHE A 15 67.032 3.222 8.261 1.00 0.00 C ATOM 215 CD2 PHE A 15 67.847 5.344 7.399 1.00 0.00 C ATOM 216 CE1 PHE A 15 67.489 2.586 7.103 1.00 0.00 C ATOM 217 CE2 PHE A 15 68.300 4.700 6.244 1.00 0.00 C ATOM 218 CZ PHE A 15 68.121 3.321 6.097 1.00 0.00 C ATOM 0 H PHE A 15 64.688 4.039 9.006 1.00 0.00 H new ATOM 0 HA PHE A 15 66.672 3.689 10.981 1.00 0.00 H new ATOM 0 HB2 PHE A 15 66.083 6.189 9.348 1.00 0.00 H new ATOM 0 HB3 PHE A 15 67.596 5.821 10.152 1.00 0.00 H new ATOM 0 HD1 PHE A 15 66.543 2.650 9.036 1.00 0.00 H new ATOM 0 HD2 PHE A 15 67.987 6.409 7.509 1.00 0.00 H new ATOM 0 HE1 PHE A 15 67.353 1.521 6.986 1.00 0.00 H new ATOM 0 HE2 PHE A 15 68.788 5.267 5.465 1.00 0.00 H new ATOM 0 HZ PHE A 15 68.472 2.824 5.205 1.00 0.00 H new ATOM 228 N HIS A 16 64.383 5.954 11.609 1.00 0.00 N ATOM 229 CA HIS A 16 63.789 6.788 12.675 1.00 0.00 C ATOM 230 C HIS A 16 63.506 5.902 13.887 1.00 0.00 C ATOM 231 O HIS A 16 63.534 6.350 15.013 1.00 0.00 O ATOM 232 CB HIS A 16 62.483 7.375 12.151 1.00 0.00 C ATOM 233 CG HIS A 16 61.930 8.366 13.136 1.00 0.00 C ATOM 234 ND1 HIS A 16 62.632 9.501 13.519 1.00 0.00 N ATOM 235 CD2 HIS A 16 60.740 8.410 13.822 1.00 0.00 C ATOM 236 CE1 HIS A 16 61.866 10.173 14.399 1.00 0.00 C ATOM 237 NE2 HIS A 16 60.706 9.551 14.615 1.00 0.00 N ATOM 0 H HIS A 16 63.852 5.928 10.739 1.00 0.00 H new ATOM 0 HA HIS A 16 64.467 7.592 12.963 1.00 0.00 H new ATOM 0 HB2 HIS A 16 62.653 7.862 11.191 1.00 0.00 H new ATOM 0 HB3 HIS A 16 61.760 6.578 11.980 1.00 0.00 H new ATOM 0 HD2 HIS A 16 59.954 7.673 13.755 1.00 0.00 H new ATOM 0 HE1 HIS A 16 62.155 11.100 14.871 1.00 0.00 H new ATOM 0 HE2 HIS A 16 59.952 9.850 15.233 1.00 0.00 H new ATOM 246 N ALA A 17 63.217 4.648 13.669 1.00 0.00 N ATOM 247 CA ALA A 17 62.916 3.752 14.823 1.00 0.00 C ATOM 248 C ALA A 17 64.105 3.714 15.793 1.00 0.00 C ATOM 249 O ALA A 17 63.956 3.983 16.968 1.00 0.00 O ATOM 250 CB ALA A 17 62.634 2.337 14.314 1.00 0.00 C ATOM 0 H ALA A 17 63.176 4.207 12.750 1.00 0.00 H new ATOM 0 HA ALA A 17 62.041 4.137 15.347 1.00 0.00 H new ATOM 0 HB1 ALA A 17 62.414 1.684 15.158 1.00 0.00 H new ATOM 0 HB2 ALA A 17 61.779 2.357 13.639 1.00 0.00 H new ATOM 0 HB3 ALA A 17 63.508 1.961 13.782 1.00 0.00 H new ATOM 256 N HIS A 18 65.280 3.375 15.328 1.00 0.00 N ATOM 257 CA HIS A 18 66.452 3.323 16.268 1.00 0.00 C ATOM 258 C HIS A 18 66.930 4.739 16.626 1.00 0.00 C ATOM 259 O HIS A 18 67.316 5.003 17.747 1.00 0.00 O ATOM 260 CB HIS A 18 67.611 2.539 15.639 1.00 0.00 C ATOM 261 CG HIS A 18 67.180 1.115 15.421 1.00 0.00 C ATOM 262 ND1 HIS A 18 67.211 0.166 16.434 1.00 0.00 N ATOM 263 CD2 HIS A 18 66.699 0.466 14.311 1.00 0.00 C ATOM 264 CE1 HIS A 18 66.759 -0.993 15.916 1.00 0.00 C ATOM 265 NE2 HIS A 18 66.435 -0.861 14.628 1.00 0.00 N ATOM 0 H HIS A 18 65.482 3.135 14.357 1.00 0.00 H new ATOM 0 HA HIS A 18 66.127 2.818 17.178 1.00 0.00 H new ATOM 0 HB2 HIS A 18 67.902 2.993 14.692 1.00 0.00 H new ATOM 0 HB3 HIS A 18 68.485 2.572 16.290 1.00 0.00 H new ATOM 0 HD2 HIS A 18 66.549 0.917 13.341 1.00 0.00 H new ATOM 0 HE1 HIS A 18 66.670 -1.914 16.473 1.00 0.00 H new ATOM 0 HE2 HIS A 18 66.070 -1.583 14.007 1.00 0.00 H new ATOM 274 N SER A 19 66.938 5.647 15.681 1.00 0.00 N ATOM 275 CA SER A 19 67.423 7.037 15.970 1.00 0.00 C ATOM 276 C SER A 19 66.247 7.968 16.267 1.00 0.00 C ATOM 277 O SER A 19 66.394 9.174 16.282 1.00 0.00 O ATOM 278 CB SER A 19 68.174 7.576 14.753 1.00 0.00 C ATOM 279 OG SER A 19 69.329 6.780 14.524 1.00 0.00 O ATOM 0 H SER A 19 66.630 5.488 14.722 1.00 0.00 H new ATOM 0 HA SER A 19 68.080 6.999 16.839 1.00 0.00 H new ATOM 0 HB2 SER A 19 67.527 7.560 13.876 1.00 0.00 H new ATOM 0 HB3 SER A 19 68.461 8.614 14.919 1.00 0.00 H new ATOM 0 HG SER A 19 70.123 7.354 14.502 1.00 0.00 H new ATOM 285 N GLY A 20 65.083 7.434 16.492 1.00 0.00 N ATOM 286 CA GLY A 20 63.911 8.312 16.770 1.00 0.00 C ATOM 287 C GLY A 20 64.095 9.052 18.098 1.00 0.00 C ATOM 288 O GLY A 20 63.134 9.417 18.746 1.00 0.00 O ATOM 0 H GLY A 20 64.890 6.432 16.496 1.00 0.00 H new ATOM 0 HA2 GLY A 20 63.789 9.032 15.960 1.00 0.00 H new ATOM 0 HA3 GLY A 20 63.001 7.713 16.804 1.00 0.00 H new ATOM 348 N LYS A 25 68.687 12.629 14.377 1.00 0.00 N ATOM 349 CA LYS A 25 67.936 11.699 13.486 1.00 0.00 C ATOM 350 C LYS A 25 68.923 10.781 12.767 1.00 0.00 C ATOM 351 O LYS A 25 68.605 9.659 12.424 1.00 0.00 O ATOM 352 CB LYS A 25 67.132 12.504 12.461 1.00 0.00 C ATOM 353 CG LYS A 25 65.984 13.222 13.177 1.00 0.00 C ATOM 354 CD LYS A 25 65.103 13.953 12.155 1.00 0.00 C ATOM 355 CE LYS A 25 65.859 15.143 11.550 1.00 0.00 C ATOM 356 NZ LYS A 25 64.880 16.098 10.958 1.00 0.00 N ATOM 0 HA LYS A 25 67.250 11.097 14.082 1.00 0.00 H new ATOM 0 HB2 LYS A 25 67.776 13.229 11.963 1.00 0.00 H new ATOM 0 HB3 LYS A 25 66.739 11.843 11.689 1.00 0.00 H new ATOM 0 HG2 LYS A 25 65.386 12.502 13.736 1.00 0.00 H new ATOM 0 HG3 LYS A 25 66.384 13.933 13.900 1.00 0.00 H new ATOM 0 HD2 LYS A 25 64.804 13.264 11.365 1.00 0.00 H new ATOM 0 HD3 LYS A 25 64.189 14.301 12.637 1.00 0.00 H new ATOM 0 HE2 LYS A 25 66.451 15.641 12.318 1.00 0.00 H new ATOM 0 HE3 LYS A 25 66.554 14.796 10.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 65.389 16.906 10.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 64.333 15.618 10.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 64.234 16.437 11.699 1.00 0.00 H new ATOM 370 N TYR A 26 70.126 11.241 12.541 1.00 0.00 N ATOM 371 CA TYR A 26 71.130 10.380 11.849 1.00 0.00 C ATOM 372 C TYR A 26 71.154 9.018 12.542 1.00 0.00 C ATOM 373 O TYR A 26 70.553 8.841 13.584 1.00 0.00 O ATOM 374 CB TYR A 26 72.521 11.030 11.923 1.00 0.00 C ATOM 375 CG TYR A 26 72.395 12.537 11.875 1.00 0.00 C ATOM 376 CD1 TYR A 26 71.413 13.146 11.078 1.00 0.00 C ATOM 377 CD2 TYR A 26 73.266 13.328 12.636 1.00 0.00 C ATOM 378 CE1 TYR A 26 71.306 14.541 11.046 1.00 0.00 C ATOM 379 CE2 TYR A 26 73.155 14.723 12.601 1.00 0.00 C ATOM 380 CZ TYR A 26 72.176 15.329 11.806 1.00 0.00 C ATOM 381 OH TYR A 26 72.068 16.703 11.773 1.00 0.00 O ATOM 0 H TYR A 26 70.455 12.170 12.804 1.00 0.00 H new ATOM 0 HA TYR A 26 70.860 10.262 10.800 1.00 0.00 H new ATOM 0 HB2 TYR A 26 73.023 10.729 12.842 1.00 0.00 H new ATOM 0 HB3 TYR A 26 73.138 10.682 11.094 1.00 0.00 H new ATOM 0 HD1 TYR A 26 70.741 12.539 10.490 1.00 0.00 H new ATOM 0 HD2 TYR A 26 74.023 12.862 13.249 1.00 0.00 H new ATOM 0 HE1 TYR A 26 70.550 15.010 10.433 1.00 0.00 H new ATOM 0 HE2 TYR A 26 73.826 15.332 13.188 1.00 0.00 H new ATOM 0 HH TYR A 26 72.747 17.099 12.359 1.00 0.00 H new ATOM 391 N LYS A 27 71.817 8.048 11.983 1.00 0.00 N ATOM 392 CA LYS A 27 71.821 6.724 12.645 1.00 0.00 C ATOM 393 C LYS A 27 72.396 6.880 14.062 1.00 0.00 C ATOM 394 O LYS A 27 71.664 7.167 14.987 1.00 0.00 O ATOM 395 CB LYS A 27 72.626 5.706 11.812 1.00 0.00 C ATOM 396 CG LYS A 27 72.358 4.263 12.297 1.00 0.00 C ATOM 397 CD LYS A 27 71.057 3.713 11.691 1.00 0.00 C ATOM 398 CE LYS A 27 70.723 2.377 12.356 1.00 0.00 C ATOM 399 NZ LYS A 27 69.599 1.725 11.627 1.00 0.00 N ATOM 0 H LYS A 27 72.346 8.114 11.113 1.00 0.00 H new ATOM 0 HA LYS A 27 70.803 6.341 12.720 1.00 0.00 H new ATOM 0 HB2 LYS A 27 72.356 5.796 10.760 1.00 0.00 H new ATOM 0 HB3 LYS A 27 73.690 5.928 11.888 1.00 0.00 H new ATOM 0 HG2 LYS A 27 73.193 3.621 12.019 1.00 0.00 H new ATOM 0 HG3 LYS A 27 72.292 4.247 13.385 1.00 0.00 H new ATOM 0 HD2 LYS A 27 70.243 4.422 11.841 1.00 0.00 H new ATOM 0 HD3 LYS A 27 71.170 3.580 10.615 1.00 0.00 H new ATOM 0 HE2 LYS A 27 71.598 1.728 12.351 1.00 0.00 H new ATOM 0 HE3 LYS A 27 70.450 2.536 13.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 69.361 0.825 12.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 68.768 2.351 11.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 69.882 1.544 10.643 1.00 0.00 H new ATOM 413 N LEU A 28 73.685 6.726 14.246 1.00 0.00 N ATOM 414 CA LEU A 28 74.266 6.891 15.632 1.00 0.00 C ATOM 415 C LEU A 28 75.771 6.564 15.648 1.00 0.00 C ATOM 416 O LEU A 28 76.367 6.273 14.636 1.00 0.00 O ATOM 417 CB LEU A 28 73.537 5.980 16.648 1.00 0.00 C ATOM 418 CG LEU A 28 73.238 4.571 16.039 1.00 0.00 C ATOM 419 CD1 LEU A 28 73.916 3.477 16.857 1.00 0.00 C ATOM 420 CD2 LEU A 28 71.722 4.291 16.033 1.00 0.00 C ATOM 0 H LEU A 28 74.357 6.497 13.514 1.00 0.00 H new ATOM 0 HA LEU A 28 74.127 7.934 15.918 1.00 0.00 H new ATOM 0 HB2 LEU A 28 74.149 5.869 17.543 1.00 0.00 H new ATOM 0 HB3 LEU A 28 72.603 6.450 16.956 1.00 0.00 H new ATOM 0 HG LEU A 28 73.623 4.569 15.019 1.00 0.00 H new ATOM 0 HD11 LEU A 28 73.696 2.504 16.417 1.00 0.00 H new ATOM 0 HD12 LEU A 28 74.994 3.639 16.858 1.00 0.00 H new ATOM 0 HD13 LEU A 28 73.544 3.505 17.881 1.00 0.00 H new ATOM 0 HD21 LEU A 28 71.536 3.306 15.605 1.00 0.00 H new ATOM 0 HD22 LEU A 28 71.342 4.321 17.054 1.00 0.00 H new ATOM 0 HD23 LEU A 28 71.215 5.048 15.435 1.00 0.00 H new ATOM 432 N SER A 29 76.390 6.618 16.806 1.00 0.00 N ATOM 433 CA SER A 29 77.856 6.321 16.899 1.00 0.00 C ATOM 434 C SER A 29 78.161 4.988 16.211 1.00 0.00 C ATOM 435 O SER A 29 77.328 4.105 16.152 1.00 0.00 O ATOM 436 CB SER A 29 78.272 6.245 18.368 1.00 0.00 C ATOM 437 OG SER A 29 77.567 5.188 19.005 1.00 0.00 O ATOM 0 H SER A 29 75.942 6.855 17.691 1.00 0.00 H new ATOM 0 HA SER A 29 78.414 7.116 16.404 1.00 0.00 H new ATOM 0 HB2 SER A 29 79.346 6.078 18.445 1.00 0.00 H new ATOM 0 HB3 SER A 29 78.060 7.191 18.867 1.00 0.00 H new ATOM 0 HG SER A 29 77.834 5.137 19.946 1.00 0.00 H new ATOM 443 N LYS A 30 79.341 4.843 15.660 1.00 0.00 N ATOM 444 CA LYS A 30 79.669 3.573 14.946 1.00 0.00 C ATOM 445 C LYS A 30 79.644 2.354 15.882 1.00 0.00 C ATOM 446 O LYS A 30 79.063 1.353 15.553 1.00 0.00 O ATOM 447 CB LYS A 30 81.051 3.675 14.252 1.00 0.00 C ATOM 448 CG LYS A 30 80.946 4.573 13.001 1.00 0.00 C ATOM 449 CD LYS A 30 82.067 4.246 12.004 1.00 0.00 C ATOM 450 CE LYS A 30 83.424 4.647 12.577 1.00 0.00 C ATOM 451 NZ LYS A 30 83.431 6.115 12.844 1.00 0.00 N ATOM 0 H LYS A 30 80.084 5.542 15.674 1.00 0.00 H new ATOM 0 HA LYS A 30 78.895 3.428 14.192 1.00 0.00 H new ATOM 0 HB2 LYS A 30 81.786 4.086 14.944 1.00 0.00 H new ATOM 0 HB3 LYS A 30 81.400 2.682 13.969 1.00 0.00 H new ATOM 0 HG2 LYS A 30 79.976 4.430 12.525 1.00 0.00 H new ATOM 0 HG3 LYS A 30 81.007 5.621 13.293 1.00 0.00 H new ATOM 0 HD2 LYS A 30 82.061 3.180 11.778 1.00 0.00 H new ATOM 0 HD3 LYS A 30 81.892 4.772 11.065 1.00 0.00 H new ATOM 0 HE2 LYS A 30 83.620 4.097 13.498 1.00 0.00 H new ATOM 0 HE3 LYS A 30 84.218 4.389 11.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 84.101 6.582 12.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 82.477 6.500 12.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 83.720 6.287 13.828 1.00 0.00 H new ATOM 465 N LYS A 31 80.274 2.390 17.023 1.00 0.00 N ATOM 466 CA LYS A 31 80.275 1.161 17.894 1.00 0.00 C ATOM 467 C LYS A 31 78.848 0.655 18.143 1.00 0.00 C ATOM 468 O LYS A 31 78.562 -0.523 18.017 1.00 0.00 O ATOM 469 CB LYS A 31 80.963 1.484 19.239 1.00 0.00 C ATOM 470 CG LYS A 31 82.471 1.181 19.158 1.00 0.00 C ATOM 471 CD LYS A 31 82.733 -0.299 19.465 1.00 0.00 C ATOM 472 CE LYS A 31 84.240 -0.558 19.452 1.00 0.00 C ATOM 473 NZ LYS A 31 84.777 -0.297 18.086 1.00 0.00 N ATOM 0 H LYS A 31 80.781 3.194 17.392 1.00 0.00 H new ATOM 0 HA LYS A 31 80.825 0.373 17.379 1.00 0.00 H new ATOM 0 HB2 LYS A 31 80.810 2.533 19.490 1.00 0.00 H new ATOM 0 HB3 LYS A 31 80.510 0.896 20.037 1.00 0.00 H new ATOM 0 HG2 LYS A 31 82.845 1.425 18.164 1.00 0.00 H new ATOM 0 HG3 LYS A 31 83.014 1.808 19.866 1.00 0.00 H new ATOM 0 HD2 LYS A 31 82.316 -0.560 20.438 1.00 0.00 H new ATOM 0 HD3 LYS A 31 82.238 -0.929 18.726 1.00 0.00 H new ATOM 0 HE2 LYS A 31 84.737 0.085 20.179 1.00 0.00 H new ATOM 0 HE3 LYS A 31 84.445 -1.588 19.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 85.692 -0.779 17.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 84.108 -0.656 17.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 84.906 0.726 17.954 1.00 0.00 H new ATOM 487 N GLU A 32 77.958 1.523 18.489 1.00 0.00 N ATOM 488 CA GLU A 32 76.553 1.079 18.743 1.00 0.00 C ATOM 489 C GLU A 32 75.925 0.609 17.429 1.00 0.00 C ATOM 490 O GLU A 32 75.198 -0.363 17.393 1.00 0.00 O ATOM 491 CB GLU A 32 75.742 2.221 19.369 1.00 0.00 C ATOM 492 CG GLU A 32 74.281 1.778 19.589 1.00 0.00 C ATOM 493 CD GLU A 32 74.242 0.605 20.571 1.00 0.00 C ATOM 494 OE1 GLU A 32 75.188 0.455 21.325 1.00 0.00 O ATOM 495 OE2 GLU A 32 73.263 -0.124 20.550 1.00 0.00 O ATOM 0 H GLU A 32 78.130 2.521 18.610 1.00 0.00 H new ATOM 0 HA GLU A 32 76.552 0.246 19.447 1.00 0.00 H new ATOM 0 HB2 GLU A 32 76.188 2.515 20.319 1.00 0.00 H new ATOM 0 HB3 GLU A 32 75.771 3.096 18.719 1.00 0.00 H new ATOM 0 HG2 GLU A 32 73.693 2.610 19.977 1.00 0.00 H new ATOM 0 HG3 GLU A 32 73.832 1.486 18.640 1.00 0.00 H new ATOM 502 N LEU A 33 76.194 1.297 16.354 1.00 0.00 N ATOM 503 CA LEU A 33 75.618 0.910 15.040 1.00 0.00 C ATOM 504 C LEU A 33 75.927 -0.561 14.733 1.00 0.00 C ATOM 505 O LEU A 33 75.066 -1.288 14.304 1.00 0.00 O ATOM 506 CB LEU A 33 76.240 1.833 13.976 1.00 0.00 C ATOM 507 CG LEU A 33 75.933 1.380 12.529 1.00 0.00 C ATOM 508 CD1 LEU A 33 76.787 0.153 12.124 1.00 0.00 C ATOM 509 CD2 LEU A 33 74.433 1.075 12.371 1.00 0.00 C ATOM 0 H LEU A 33 76.796 2.120 16.332 1.00 0.00 H new ATOM 0 HA LEU A 33 74.533 1.018 15.047 1.00 0.00 H new ATOM 0 HB2 LEU A 33 75.867 2.847 14.120 1.00 0.00 H new ATOM 0 HB3 LEU A 33 77.320 1.867 14.119 1.00 0.00 H new ATOM 0 HG LEU A 33 76.197 2.198 11.859 1.00 0.00 H new ATOM 0 HD11 LEU A 33 76.545 -0.137 11.102 1.00 0.00 H new ATOM 0 HD12 LEU A 33 77.845 0.409 12.188 1.00 0.00 H new ATOM 0 HD13 LEU A 33 76.573 -0.677 12.797 1.00 0.00 H new ATOM 0 HD21 LEU A 33 74.232 0.758 11.348 1.00 0.00 H new ATOM 0 HD22 LEU A 33 74.149 0.280 13.060 1.00 0.00 H new ATOM 0 HD23 LEU A 33 73.854 1.971 12.593 1.00 0.00 H new ATOM 521 N LYS A 34 77.126 -1.030 14.946 1.00 0.00 N ATOM 522 CA LYS A 34 77.394 -2.471 14.626 1.00 0.00 C ATOM 523 C LYS A 34 76.475 -3.354 15.458 1.00 0.00 C ATOM 524 O LYS A 34 75.870 -4.274 14.960 1.00 0.00 O ATOM 525 CB LYS A 34 78.846 -2.830 14.921 1.00 0.00 C ATOM 526 CG LYS A 34 79.050 -4.360 14.806 1.00 0.00 C ATOM 527 CD LYS A 34 80.406 -4.665 14.152 1.00 0.00 C ATOM 528 CE LYS A 34 80.272 -4.580 12.616 1.00 0.00 C ATOM 529 NZ LYS A 34 79.265 -5.573 12.142 1.00 0.00 N ATOM 0 H LYS A 34 77.915 -0.500 15.317 1.00 0.00 H new ATOM 0 HA LYS A 34 77.205 -2.632 13.565 1.00 0.00 H new ATOM 0 HB2 LYS A 34 79.505 -2.314 14.223 1.00 0.00 H new ATOM 0 HB3 LYS A 34 79.116 -2.494 15.922 1.00 0.00 H new ATOM 0 HG2 LYS A 34 79.004 -4.816 15.795 1.00 0.00 H new ATOM 0 HG3 LYS A 34 78.246 -4.798 14.215 1.00 0.00 H new ATOM 0 HD2 LYS A 34 81.157 -3.956 14.501 1.00 0.00 H new ATOM 0 HD3 LYS A 34 80.746 -5.659 14.443 1.00 0.00 H new ATOM 0 HE2 LYS A 34 79.971 -3.574 12.323 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.236 -4.773 12.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.443 -5.798 11.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 79.339 -6.441 12.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 78.310 -5.174 12.242 1.00 0.00 H new ATOM 543 N ASP A 35 76.349 -3.078 16.713 1.00 0.00 N ATOM 544 CA ASP A 35 75.451 -3.912 17.552 1.00 0.00 C ATOM 545 C ASP A 35 74.021 -3.791 17.026 1.00 0.00 C ATOM 546 O ASP A 35 73.188 -4.626 17.283 1.00 0.00 O ATOM 547 CB ASP A 35 75.511 -3.424 18.997 1.00 0.00 C ATOM 548 CG ASP A 35 76.877 -3.766 19.590 1.00 0.00 C ATOM 549 OD1 ASP A 35 77.516 -4.668 19.073 1.00 0.00 O ATOM 550 OD2 ASP A 35 77.260 -3.124 20.553 1.00 0.00 O ATOM 0 H ASP A 35 76.823 -2.317 17.198 1.00 0.00 H new ATOM 0 HA ASP A 35 75.767 -4.954 17.511 1.00 0.00 H new ATOM 0 HB2 ASP A 35 75.344 -2.348 19.036 1.00 0.00 H new ATOM 0 HB3 ASP A 35 74.720 -3.891 19.584 1.00 0.00 H new ATOM 555 N LEU A 36 73.743 -2.733 16.317 1.00 0.00 N ATOM 556 CA LEU A 36 72.371 -2.491 15.772 1.00 0.00 C ATOM 557 C LEU A 36 72.071 -3.432 14.585 1.00 0.00 C ATOM 558 O LEU A 36 71.065 -4.109 14.547 1.00 0.00 O ATOM 559 CB LEU A 36 72.317 -1.024 15.295 1.00 0.00 C ATOM 560 CG LEU A 36 70.879 -0.468 15.305 1.00 0.00 C ATOM 561 CD1 LEU A 36 69.932 -1.429 14.579 1.00 0.00 C ATOM 562 CD2 LEU A 36 70.389 -0.245 16.750 1.00 0.00 C ATOM 0 H LEU A 36 74.422 -2.008 16.086 1.00 0.00 H new ATOM 0 HA LEU A 36 71.627 -2.685 16.544 1.00 0.00 H new ATOM 0 HB2 LEU A 36 72.948 -0.410 15.938 1.00 0.00 H new ATOM 0 HB3 LEU A 36 72.726 -0.955 14.287 1.00 0.00 H new ATOM 0 HG LEU A 36 70.883 0.490 14.786 1.00 0.00 H new ATOM 0 HD11 LEU A 36 68.920 -1.023 14.594 1.00 0.00 H new ATOM 0 HD12 LEU A 36 70.259 -1.551 13.546 1.00 0.00 H new ATOM 0 HD13 LEU A 36 69.942 -2.397 15.080 1.00 0.00 H new ATOM 0 HD21 LEU A 36 69.372 0.148 16.733 1.00 0.00 H new ATOM 0 HD22 LEU A 36 70.403 -1.192 17.289 1.00 0.00 H new ATOM 0 HD23 LEU A 36 71.045 0.467 17.251 1.00 0.00 H new ATOM 574 N LEU A 37 72.911 -3.422 13.591 1.00 0.00 N ATOM 575 CA LEU A 37 72.661 -4.252 12.369 1.00 0.00 C ATOM 576 C LEU A 37 72.768 -5.746 12.635 1.00 0.00 C ATOM 577 O LEU A 37 71.930 -6.522 12.220 1.00 0.00 O ATOM 578 CB LEU A 37 73.695 -3.900 11.285 1.00 0.00 C ATOM 579 CG LEU A 37 73.996 -2.408 11.303 1.00 0.00 C ATOM 580 CD1 LEU A 37 75.035 -2.085 10.225 1.00 0.00 C ATOM 581 CD2 LEU A 37 72.703 -1.601 11.074 1.00 0.00 C ATOM 0 H LEU A 37 73.769 -2.871 13.567 1.00 0.00 H new ATOM 0 HA LEU A 37 71.643 -4.029 12.049 1.00 0.00 H new ATOM 0 HB2 LEU A 37 74.612 -4.465 11.452 1.00 0.00 H new ATOM 0 HB3 LEU A 37 73.316 -4.189 10.305 1.00 0.00 H new ATOM 0 HG LEU A 37 74.400 -2.131 12.277 1.00 0.00 H new ATOM 0 HD11 LEU A 37 75.251 -1.017 10.237 1.00 0.00 H new ATOM 0 HD12 LEU A 37 75.950 -2.643 10.423 1.00 0.00 H new ATOM 0 HD13 LEU A 37 74.644 -2.365 9.247 1.00 0.00 H new ATOM 0 HD21 LEU A 37 72.932 -0.535 11.089 1.00 0.00 H new ATOM 0 HD22 LEU A 37 72.275 -1.867 10.107 1.00 0.00 H new ATOM 0 HD23 LEU A 37 71.987 -1.830 11.863 1.00 0.00 H new ATOM 593 N GLN A 38 73.805 -6.162 13.273 1.00 0.00 N ATOM 594 CA GLN A 38 73.977 -7.616 13.500 1.00 0.00 C ATOM 595 C GLN A 38 72.832 -8.099 14.354 1.00 0.00 C ATOM 596 O GLN A 38 72.493 -9.265 14.393 1.00 0.00 O ATOM 597 CB GLN A 38 75.268 -7.865 14.270 1.00 0.00 C ATOM 598 CG GLN A 38 76.388 -7.135 13.574 1.00 0.00 C ATOM 599 CD GLN A 38 77.712 -7.442 14.271 1.00 0.00 C ATOM 600 OE1 GLN A 38 78.604 -8.170 13.659 1.00 0.00 O flip ATOM 601 NE2 GLN A 38 77.935 -7.022 15.390 1.00 0.00 N flip ATOM 0 H GLN A 38 74.543 -5.567 13.649 1.00 0.00 H new ATOM 0 HA GLN A 38 74.006 -8.135 12.542 1.00 0.00 H new ATOM 0 HB2 GLN A 38 75.169 -7.516 15.298 1.00 0.00 H new ATOM 0 HB3 GLN A 38 75.482 -8.933 14.315 1.00 0.00 H new ATOM 0 HG2 GLN A 38 76.438 -7.437 12.528 1.00 0.00 H new ATOM 0 HG3 GLN A 38 76.199 -6.062 13.587 1.00 0.00 H new ATOM 0 HE21 GLN A 38 77.238 -6.452 15.869 1.00 0.00 H new ATOM 0 HE22 GLN A 38 78.819 -7.239 15.849 1.00 0.00 H new ATOM 610 N THR A 39 72.270 -7.189 15.063 1.00 0.00 N ATOM 611 CA THR A 39 71.165 -7.525 15.977 1.00 0.00 C ATOM 612 C THR A 39 69.889 -7.752 15.170 1.00 0.00 C ATOM 613 O THR A 39 69.125 -8.657 15.436 1.00 0.00 O ATOM 614 CB THR A 39 71.027 -6.343 16.934 1.00 0.00 C ATOM 615 OG1 THR A 39 71.920 -6.521 18.023 1.00 0.00 O ATOM 616 CG2 THR A 39 69.598 -6.209 17.463 1.00 0.00 C ATOM 0 H THR A 39 72.532 -6.203 15.051 1.00 0.00 H new ATOM 0 HA THR A 39 71.354 -8.441 16.537 1.00 0.00 H new ATOM 0 HB THR A 39 71.268 -5.431 16.388 1.00 0.00 H new ATOM 0 HG1 THR A 39 72.772 -6.081 17.823 1.00 0.00 H new ATOM 0 HG21 THR A 39 69.539 -5.357 18.141 1.00 0.00 H new ATOM 0 HG22 THR A 39 68.914 -6.057 16.628 1.00 0.00 H new ATOM 0 HG23 THR A 39 69.321 -7.118 17.998 1.00 0.00 H new ATOM 624 N GLU A 40 69.653 -6.924 14.194 1.00 0.00 N ATOM 625 CA GLU A 40 68.420 -7.068 13.369 1.00 0.00 C ATOM 626 C GLU A 40 68.728 -7.905 12.121 1.00 0.00 C ATOM 627 O GLU A 40 67.858 -8.189 11.323 1.00 0.00 O ATOM 628 CB GLU A 40 67.929 -5.666 12.986 1.00 0.00 C ATOM 629 CG GLU A 40 66.499 -5.739 12.436 1.00 0.00 C ATOM 630 CD GLU A 40 65.842 -4.353 12.493 1.00 0.00 C ATOM 631 OE1 GLU A 40 66.389 -3.480 13.147 1.00 0.00 O ATOM 632 OE2 GLU A 40 64.795 -4.194 11.890 1.00 0.00 O ATOM 0 H GLU A 40 70.262 -6.150 13.930 1.00 0.00 H new ATOM 0 HA GLU A 40 67.639 -7.581 13.931 1.00 0.00 H new ATOM 0 HB2 GLU A 40 67.959 -5.011 13.857 1.00 0.00 H new ATOM 0 HB3 GLU A 40 68.593 -5.232 12.238 1.00 0.00 H new ATOM 0 HG2 GLU A 40 66.514 -6.101 11.408 1.00 0.00 H new ATOM 0 HG3 GLU A 40 65.913 -6.452 13.016 1.00 0.00 H new ATOM 639 N LEU A 41 69.963 -8.310 11.963 1.00 0.00 N ATOM 640 CA LEU A 41 70.366 -9.148 10.785 1.00 0.00 C ATOM 641 C LEU A 41 70.909 -10.478 11.301 1.00 0.00 C ATOM 642 O LEU A 41 71.839 -11.031 10.763 1.00 0.00 O ATOM 643 CB LEU A 41 71.469 -8.427 9.999 1.00 0.00 C ATOM 644 CG LEU A 41 70.970 -7.064 9.494 1.00 0.00 C ATOM 645 CD1 LEU A 41 72.155 -6.262 8.935 1.00 0.00 C ATOM 646 CD2 LEU A 41 69.927 -7.261 8.384 1.00 0.00 C ATOM 0 H LEU A 41 70.723 -8.094 12.609 1.00 0.00 H new ATOM 0 HA LEU A 41 69.507 -9.315 10.135 1.00 0.00 H new ATOM 0 HB2 LEU A 41 72.344 -8.288 10.634 1.00 0.00 H new ATOM 0 HB3 LEU A 41 71.782 -9.041 9.155 1.00 0.00 H new ATOM 0 HG LEU A 41 70.514 -6.524 10.324 1.00 0.00 H new ATOM 0 HD11 LEU A 41 71.803 -5.295 8.576 1.00 0.00 H new ATOM 0 HD12 LEU A 41 72.895 -6.110 9.721 1.00 0.00 H new ATOM 0 HD13 LEU A 41 72.609 -6.811 8.110 1.00 0.00 H new ATOM 0 HD21 LEU A 41 69.580 -6.289 8.034 1.00 0.00 H new ATOM 0 HD22 LEU A 41 70.377 -7.806 7.554 1.00 0.00 H new ATOM 0 HD23 LEU A 41 69.082 -7.828 8.775 1.00 0.00 H new ATOM 658 N SER A 42 70.340 -10.981 12.356 1.00 0.00 N ATOM 659 CA SER A 42 70.824 -12.263 12.941 1.00 0.00 C ATOM 660 C SER A 42 70.721 -13.407 11.932 1.00 0.00 C ATOM 661 O SER A 42 71.587 -14.253 11.848 1.00 0.00 O ATOM 662 CB SER A 42 69.939 -12.603 14.124 1.00 0.00 C ATOM 663 OG SER A 42 70.143 -11.653 15.163 1.00 0.00 O ATOM 0 H SER A 42 69.552 -10.556 12.845 1.00 0.00 H new ATOM 0 HA SER A 42 71.868 -12.143 13.232 1.00 0.00 H new ATOM 0 HB2 SER A 42 68.892 -12.604 13.819 1.00 0.00 H new ATOM 0 HB3 SER A 42 70.167 -13.606 14.485 1.00 0.00 H new ATOM 0 HG SER A 42 69.677 -10.820 14.940 1.00 0.00 H new ATOM 669 N SER A 43 69.667 -13.452 11.178 1.00 0.00 N ATOM 670 CA SER A 43 69.516 -14.558 10.189 1.00 0.00 C ATOM 671 C SER A 43 70.647 -14.476 9.182 1.00 0.00 C ATOM 672 O SER A 43 71.150 -15.469 8.713 1.00 0.00 O ATOM 673 CB SER A 43 68.174 -14.430 9.473 1.00 0.00 C ATOM 674 OG SER A 43 68.023 -15.512 8.565 1.00 0.00 O ATOM 0 H SER A 43 68.903 -12.776 11.199 1.00 0.00 H new ATOM 0 HA SER A 43 69.551 -15.519 10.702 1.00 0.00 H new ATOM 0 HB2 SER A 43 67.360 -14.432 10.198 1.00 0.00 H new ATOM 0 HB3 SER A 43 68.123 -13.481 8.939 1.00 0.00 H new ATOM 0 HG SER A 43 68.420 -16.321 8.951 1.00 0.00 H new ATOM 680 N PHE A 44 71.063 -13.301 8.850 1.00 0.00 N ATOM 681 CA PHE A 44 72.187 -13.185 7.881 1.00 0.00 C ATOM 682 C PHE A 44 73.406 -13.887 8.472 1.00 0.00 C ATOM 683 O PHE A 44 74.135 -14.578 7.787 1.00 0.00 O ATOM 684 CB PHE A 44 72.489 -11.710 7.598 1.00 0.00 C ATOM 685 CG PHE A 44 71.505 -11.176 6.582 1.00 0.00 C ATOM 686 CD1 PHE A 44 71.783 -11.312 5.220 1.00 0.00 C ATOM 687 CD2 PHE A 44 70.320 -10.557 6.994 1.00 0.00 C ATOM 688 CE1 PHE A 44 70.882 -10.832 4.264 1.00 0.00 C ATOM 689 CE2 PHE A 44 69.415 -10.076 6.038 1.00 0.00 C ATOM 690 CZ PHE A 44 69.697 -10.214 4.673 1.00 0.00 C ATOM 0 H PHE A 44 70.685 -12.420 9.198 1.00 0.00 H new ATOM 0 HA PHE A 44 71.920 -13.656 6.935 1.00 0.00 H new ATOM 0 HB2 PHE A 44 72.425 -11.132 8.520 1.00 0.00 H new ATOM 0 HB3 PHE A 44 73.507 -11.602 7.224 1.00 0.00 H new ATOM 0 HD1 PHE A 44 72.698 -11.790 4.904 1.00 0.00 H new ATOM 0 HD2 PHE A 44 70.103 -10.450 8.047 1.00 0.00 H new ATOM 0 HE1 PHE A 44 71.101 -10.939 3.212 1.00 0.00 H new ATOM 0 HE2 PHE A 44 68.499 -9.598 6.354 1.00 0.00 H new ATOM 0 HZ PHE A 44 68.999 -9.843 3.937 1.00 0.00 H new ATOM 700 N LEU A 45 73.617 -13.728 9.746 1.00 0.00 N ATOM 701 CA LEU A 45 74.771 -14.397 10.400 1.00 0.00 C ATOM 702 C LEU A 45 74.574 -15.912 10.304 1.00 0.00 C ATOM 703 O LEU A 45 75.457 -16.682 10.633 1.00 0.00 O ATOM 704 CB LEU A 45 74.854 -13.964 11.875 1.00 0.00 C ATOM 705 CG LEU A 45 75.608 -12.625 12.019 1.00 0.00 C ATOM 706 CD1 LEU A 45 77.121 -12.828 11.838 1.00 0.00 C ATOM 707 CD2 LEU A 45 75.101 -11.614 10.984 1.00 0.00 C ATOM 0 H LEU A 45 73.037 -13.161 10.365 1.00 0.00 H new ATOM 0 HA LEU A 45 75.700 -14.116 9.904 1.00 0.00 H new ATOM 0 HB2 LEU A 45 73.849 -13.865 12.285 1.00 0.00 H new ATOM 0 HB3 LEU A 45 75.361 -14.735 12.456 1.00 0.00 H new ATOM 0 HG LEU A 45 75.421 -12.240 13.022 1.00 0.00 H new ATOM 0 HD11 LEU A 45 77.632 -11.871 11.944 1.00 0.00 H new ATOM 0 HD12 LEU A 45 77.488 -13.521 12.595 1.00 0.00 H new ATOM 0 HD13 LEU A 45 77.317 -13.236 10.847 1.00 0.00 H new ATOM 0 HD21 LEU A 45 75.642 -10.675 11.098 1.00 0.00 H new ATOM 0 HD22 LEU A 45 75.264 -12.008 9.981 1.00 0.00 H new ATOM 0 HD23 LEU A 45 74.036 -11.440 11.137 1.00 0.00 H new ATOM 719 N ASP A 46 73.420 -16.353 9.864 1.00 0.00 N ATOM 720 CA ASP A 46 73.189 -17.821 9.764 1.00 0.00 C ATOM 721 C ASP A 46 74.358 -18.465 9.006 1.00 0.00 C ATOM 722 O ASP A 46 74.708 -19.604 9.241 1.00 0.00 O ATOM 723 CB ASP A 46 71.885 -18.118 9.016 1.00 0.00 C ATOM 724 CG ASP A 46 70.691 -17.724 9.890 1.00 0.00 C ATOM 725 OD1 ASP A 46 70.852 -17.700 11.101 1.00 0.00 O ATOM 726 OD2 ASP A 46 69.639 -17.455 9.336 1.00 0.00 O ATOM 0 H ASP A 46 72.639 -15.765 9.574 1.00 0.00 H new ATOM 0 HA ASP A 46 73.117 -18.231 10.771 1.00 0.00 H new ATOM 0 HB2 ASP A 46 71.859 -17.566 8.077 1.00 0.00 H new ATOM 0 HB3 ASP A 46 71.831 -19.177 8.765 1.00 0.00 H new ATOM 731 N VAL A 47 74.966 -17.741 8.093 1.00 0.00 N ATOM 732 CA VAL A 47 76.109 -18.320 7.323 1.00 0.00 C ATOM 733 C VAL A 47 76.965 -17.195 6.711 1.00 0.00 C ATOM 734 O VAL A 47 76.651 -16.651 5.673 1.00 0.00 O ATOM 735 CB VAL A 47 75.556 -19.222 6.210 1.00 0.00 C ATOM 736 CG1 VAL A 47 74.598 -18.426 5.296 1.00 0.00 C ATOM 737 CG2 VAL A 47 76.723 -19.781 5.386 1.00 0.00 C ATOM 0 H VAL A 47 74.720 -16.781 7.851 1.00 0.00 H new ATOM 0 HA VAL A 47 76.738 -18.906 7.994 1.00 0.00 H new ATOM 0 HB VAL A 47 74.999 -20.044 6.660 1.00 0.00 H new ATOM 0 HG11 VAL A 47 74.215 -19.080 4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 47 73.766 -18.042 5.887 1.00 0.00 H new ATOM 0 HG13 VAL A 47 75.136 -17.593 4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 47 76.335 -20.422 4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 47 77.284 -18.957 4.944 1.00 0.00 H new ATOM 0 HG23 VAL A 47 77.380 -20.361 6.033 1.00 0.00 H new ATOM 747 N GLN A 48 78.053 -16.851 7.349 1.00 0.00 N ATOM 748 CA GLN A 48 78.939 -15.781 6.822 1.00 0.00 C ATOM 749 C GLN A 48 79.656 -16.273 5.561 1.00 0.00 C ATOM 750 O GLN A 48 80.491 -17.155 5.608 1.00 0.00 O ATOM 751 CB GLN A 48 79.979 -15.412 7.885 1.00 0.00 C ATOM 752 CG GLN A 48 79.288 -14.698 9.048 1.00 0.00 C ATOM 753 CD GLN A 48 80.302 -14.422 10.161 1.00 0.00 C ATOM 754 OE1 GLN A 48 79.949 -14.385 11.323 1.00 0.00 O ATOM 755 NE2 GLN A 48 81.553 -14.214 9.852 1.00 0.00 N ATOM 0 H GLN A 48 78.366 -17.273 8.223 1.00 0.00 H new ATOM 0 HA GLN A 48 78.337 -14.906 6.576 1.00 0.00 H new ATOM 0 HB2 GLN A 48 80.483 -16.310 8.243 1.00 0.00 H new ATOM 0 HB3 GLN A 48 80.745 -14.768 7.452 1.00 0.00 H new ATOM 0 HG2 GLN A 48 78.849 -13.762 8.703 1.00 0.00 H new ATOM 0 HG3 GLN A 48 78.472 -15.311 9.430 1.00 0.00 H new ATOM 0 HE21 GLN A 48 81.849 -14.245 8.876 1.00 0.00 H new ATOM 0 HE22 GLN A 48 82.234 -14.020 10.586 1.00 0.00 H new ATOM 764 N LYS A 49 79.341 -15.697 4.443 1.00 0.00 N ATOM 765 CA LYS A 49 79.999 -16.098 3.166 1.00 0.00 C ATOM 766 C LYS A 49 81.371 -15.416 3.054 1.00 0.00 C ATOM 767 O LYS A 49 82.400 -16.056 3.139 1.00 0.00 O ATOM 768 CB LYS A 49 79.124 -15.662 1.982 1.00 0.00 C ATOM 769 CG LYS A 49 77.713 -16.267 2.103 1.00 0.00 C ATOM 770 CD LYS A 49 77.695 -17.727 1.584 1.00 0.00 C ATOM 771 CE LYS A 49 77.252 -17.766 0.115 1.00 0.00 C ATOM 772 NZ LYS A 49 78.235 -17.025 -0.723 1.00 0.00 N ATOM 0 H LYS A 49 78.647 -14.955 4.353 1.00 0.00 H new ATOM 0 HA LYS A 49 80.127 -17.180 3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 49 79.058 -14.574 1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 49 79.583 -15.980 1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 49 77.390 -16.242 3.144 1.00 0.00 H new ATOM 0 HG3 LYS A 49 77.004 -15.665 1.534 1.00 0.00 H new ATOM 0 HD2 LYS A 49 78.687 -18.167 1.683 1.00 0.00 H new ATOM 0 HD3 LYS A 49 77.017 -18.327 2.191 1.00 0.00 H new ATOM 0 HE2 LYS A 49 77.175 -18.799 -0.225 1.00 0.00 H new ATOM 0 HE3 LYS A 49 76.262 -17.321 0.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 77.809 -16.136 -1.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 79.083 -16.814 -0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 78.501 -17.607 -1.543 1.00 0.00 H new ATOM 786 N ASP A 50 81.391 -14.115 2.854 1.00 0.00 N ATOM 787 CA ASP A 50 82.694 -13.379 2.723 1.00 0.00 C ATOM 788 C ASP A 50 83.053 -12.688 4.043 1.00 0.00 C ATOM 789 O ASP A 50 82.548 -11.630 4.388 1.00 0.00 O ATOM 790 CB ASP A 50 82.585 -12.340 1.609 1.00 0.00 C ATOM 791 CG ASP A 50 82.521 -13.052 0.257 1.00 0.00 C ATOM 792 OD1 ASP A 50 82.885 -14.216 0.204 1.00 0.00 O ATOM 793 OD2 ASP A 50 82.109 -12.424 -0.704 1.00 0.00 O ATOM 0 H ASP A 50 80.559 -13.531 2.776 1.00 0.00 H new ATOM 0 HA ASP A 50 83.480 -14.094 2.479 1.00 0.00 H new ATOM 0 HB2 ASP A 50 81.695 -11.728 1.753 1.00 0.00 H new ATOM 0 HB3 ASP A 50 83.442 -11.667 1.638 1.00 0.00 H new ATOM 798 N ALA A 51 83.945 -13.285 4.772 1.00 0.00 N ATOM 799 CA ALA A 51 84.379 -12.709 6.068 1.00 0.00 C ATOM 800 C ALA A 51 85.251 -11.490 5.812 1.00 0.00 C ATOM 801 O ALA A 51 85.470 -10.693 6.683 1.00 0.00 O ATOM 802 CB ALA A 51 85.183 -13.753 6.839 1.00 0.00 C ATOM 0 H ALA A 51 84.400 -14.163 4.521 1.00 0.00 H new ATOM 0 HA ALA A 51 83.505 -12.416 6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 51 85.504 -13.334 7.792 1.00 0.00 H new ATOM 0 HB2 ALA A 51 84.562 -14.630 7.019 1.00 0.00 H new ATOM 0 HB3 ALA A 51 86.058 -14.041 6.256 1.00 0.00 H new ATOM 808 N ASP A 52 85.754 -11.353 4.624 1.00 0.00 N ATOM 809 CA ASP A 52 86.611 -10.182 4.298 1.00 0.00 C ATOM 810 C ASP A 52 85.759 -8.915 4.259 1.00 0.00 C ATOM 811 O ASP A 52 86.176 -7.868 4.705 1.00 0.00 O ATOM 812 CB ASP A 52 87.292 -10.392 2.945 1.00 0.00 C ATOM 813 CG ASP A 52 88.356 -11.484 3.073 1.00 0.00 C ATOM 814 OD1 ASP A 52 88.779 -11.742 4.189 1.00 0.00 O ATOM 815 OD2 ASP A 52 88.734 -12.039 2.055 1.00 0.00 O ATOM 0 H ASP A 52 85.608 -12.007 3.855 1.00 0.00 H new ATOM 0 HA ASP A 52 87.377 -10.076 5.066 1.00 0.00 H new ATOM 0 HB2 ASP A 52 86.554 -10.675 2.194 1.00 0.00 H new ATOM 0 HB3 ASP A 52 87.749 -9.462 2.608 1.00 0.00 H new ATOM 820 N ALA A 53 84.570 -8.995 3.720 1.00 0.00 N ATOM 821 CA ALA A 53 83.702 -7.773 3.655 1.00 0.00 C ATOM 822 C ALA A 53 83.306 -7.366 5.070 1.00 0.00 C ATOM 823 O ALA A 53 83.484 -6.235 5.477 1.00 0.00 O ATOM 824 CB ALA A 53 82.454 -8.070 2.825 1.00 0.00 C ATOM 0 H ALA A 53 84.162 -9.842 3.325 1.00 0.00 H new ATOM 0 HA ALA A 53 84.250 -6.957 3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 53 81.826 -7.180 2.780 1.00 0.00 H new ATOM 0 HB2 ALA A 53 82.748 -8.358 1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 53 81.896 -8.885 3.286 1.00 0.00 H new ATOM 830 N VAL A 54 82.795 -8.287 5.828 1.00 0.00 N ATOM 831 CA VAL A 54 82.412 -7.958 7.245 1.00 0.00 C ATOM 832 C VAL A 54 83.670 -7.489 7.977 1.00 0.00 C ATOM 833 O VAL A 54 83.624 -6.617 8.805 1.00 0.00 O ATOM 834 CB VAL A 54 81.811 -9.226 7.924 1.00 0.00 C ATOM 835 CG1 VAL A 54 82.413 -9.478 9.322 1.00 0.00 C ATOM 836 CG2 VAL A 54 80.287 -9.073 8.077 1.00 0.00 C ATOM 0 H VAL A 54 82.622 -9.251 5.541 1.00 0.00 H new ATOM 0 HA VAL A 54 81.660 -7.169 7.275 1.00 0.00 H new ATOM 0 HB VAL A 54 82.053 -10.072 7.281 1.00 0.00 H new ATOM 0 HG11 VAL A 54 81.964 -10.371 9.756 1.00 0.00 H new ATOM 0 HG12 VAL A 54 83.490 -9.619 9.234 1.00 0.00 H new ATOM 0 HG13 VAL A 54 82.211 -8.621 9.965 1.00 0.00 H new ATOM 0 HG21 VAL A 54 79.878 -9.964 8.552 1.00 0.00 H new ATOM 0 HG22 VAL A 54 80.069 -8.201 8.693 1.00 0.00 H new ATOM 0 HG23 VAL A 54 79.834 -8.945 7.094 1.00 0.00 H new ATOM 846 N ASP A 55 84.778 -8.084 7.678 1.00 0.00 N ATOM 847 CA ASP A 55 86.055 -7.711 8.361 1.00 0.00 C ATOM 848 C ASP A 55 86.382 -6.238 8.119 1.00 0.00 C ATOM 849 O ASP A 55 86.827 -5.542 9.007 1.00 0.00 O ATOM 850 CB ASP A 55 87.190 -8.582 7.806 1.00 0.00 C ATOM 851 CG ASP A 55 88.514 -8.198 8.468 1.00 0.00 C ATOM 852 OD1 ASP A 55 88.513 -7.269 9.256 1.00 0.00 O ATOM 853 OD2 ASP A 55 89.508 -8.838 8.169 1.00 0.00 O ATOM 0 H ASP A 55 84.865 -8.824 6.982 1.00 0.00 H new ATOM 0 HA ASP A 55 85.946 -7.872 9.433 1.00 0.00 H new ATOM 0 HB2 ASP A 55 86.974 -9.635 7.988 1.00 0.00 H new ATOM 0 HB3 ASP A 55 87.263 -8.454 6.726 1.00 0.00 H new ATOM 858 N LYS A 56 86.159 -5.751 6.938 1.00 0.00 N ATOM 859 CA LYS A 56 86.454 -4.315 6.663 1.00 0.00 C ATOM 860 C LYS A 56 85.498 -3.438 7.459 1.00 0.00 C ATOM 861 O LYS A 56 85.873 -2.412 7.999 1.00 0.00 O ATOM 862 CB LYS A 56 86.312 -4.036 5.171 1.00 0.00 C ATOM 863 CG LYS A 56 87.459 -4.726 4.447 1.00 0.00 C ATOM 864 CD LYS A 56 87.357 -4.472 2.942 1.00 0.00 C ATOM 865 CE LYS A 56 88.516 -5.172 2.233 1.00 0.00 C ATOM 866 NZ LYS A 56 89.803 -4.629 2.751 1.00 0.00 N ATOM 0 H LYS A 56 85.786 -6.279 6.149 1.00 0.00 H new ATOM 0 HA LYS A 56 87.477 -4.089 6.965 1.00 0.00 H new ATOM 0 HB2 LYS A 56 85.354 -4.405 4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 56 86.333 -2.963 4.981 1.00 0.00 H new ATOM 0 HG2 LYS A 56 88.413 -4.355 4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 56 87.433 -5.797 4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 56 86.405 -4.844 2.562 1.00 0.00 H new ATOM 0 HD3 LYS A 56 87.385 -3.401 2.739 1.00 0.00 H new ATOM 0 HE2 LYS A 56 88.466 -6.248 2.403 1.00 0.00 H new ATOM 0 HE3 LYS A 56 88.448 -5.016 1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 90.563 -4.829 2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 89.718 -3.601 2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 90.027 -5.077 3.662 1.00 0.00 H new ATOM 880 N ILE A 57 84.267 -3.837 7.540 1.00 0.00 N ATOM 881 CA ILE A 57 83.276 -3.036 8.295 1.00 0.00 C ATOM 882 C ILE A 57 83.726 -2.917 9.752 1.00 0.00 C ATOM 883 O ILE A 57 83.642 -1.868 10.347 1.00 0.00 O ATOM 884 CB ILE A 57 81.925 -3.758 8.226 1.00 0.00 C ATOM 885 CG1 ILE A 57 81.362 -3.680 6.803 1.00 0.00 C ATOM 886 CG2 ILE A 57 80.932 -3.115 9.193 1.00 0.00 C ATOM 887 CD1 ILE A 57 80.158 -4.628 6.649 1.00 0.00 C ATOM 0 H ILE A 57 83.902 -4.689 7.113 1.00 0.00 H new ATOM 0 HA ILE A 57 83.188 -2.036 7.869 1.00 0.00 H new ATOM 0 HB ILE A 57 82.076 -4.801 8.504 1.00 0.00 H new ATOM 0 HG12 ILE A 57 81.058 -2.657 6.581 1.00 0.00 H new ATOM 0 HG13 ILE A 57 82.137 -3.946 6.084 1.00 0.00 H new ATOM 0 HG21 ILE A 57 79.977 -3.637 9.134 1.00 0.00 H new ATOM 0 HG22 ILE A 57 81.320 -3.181 10.210 1.00 0.00 H new ATOM 0 HG23 ILE A 57 80.790 -2.068 8.926 1.00 0.00 H new ATOM 0 HD11 ILE A 57 79.770 -4.561 5.633 1.00 0.00 H new ATOM 0 HD12 ILE A 57 80.473 -5.652 6.850 1.00 0.00 H new ATOM 0 HD13 ILE A 57 79.378 -4.343 7.355 1.00 0.00 H new ATOM 899 N MET A 58 84.217 -3.973 10.324 1.00 0.00 N ATOM 900 CA MET A 58 84.679 -3.912 11.739 1.00 0.00 C ATOM 901 C MET A 58 85.813 -2.886 11.853 1.00 0.00 C ATOM 902 O MET A 58 85.990 -2.253 12.873 1.00 0.00 O ATOM 903 CB MET A 58 85.198 -5.293 12.181 1.00 0.00 C ATOM 904 CG MET A 58 84.144 -6.384 11.912 1.00 0.00 C ATOM 905 SD MET A 58 82.949 -6.472 13.267 1.00 0.00 S ATOM 906 CE MET A 58 81.630 -7.362 12.376 1.00 0.00 C ATOM 0 H MET A 58 84.321 -4.882 9.874 1.00 0.00 H new ATOM 0 HA MET A 58 83.846 -3.620 12.379 1.00 0.00 H new ATOM 0 HB2 MET A 58 86.118 -5.529 11.646 1.00 0.00 H new ATOM 0 HB3 MET A 58 85.443 -5.272 13.243 1.00 0.00 H new ATOM 0 HG2 MET A 58 83.625 -6.172 10.977 1.00 0.00 H new ATOM 0 HG3 MET A 58 84.636 -7.349 11.792 1.00 0.00 H new ATOM 0 HE1 MET A 58 80.763 -7.474 13.027 1.00 0.00 H new ATOM 0 HE2 MET A 58 81.346 -6.798 11.488 1.00 0.00 H new ATOM 0 HE3 MET A 58 81.991 -8.347 12.080 1.00 0.00 H new ATOM 916 N LYS A 59 86.603 -2.736 10.817 1.00 0.00 N ATOM 917 CA LYS A 59 87.744 -1.774 10.876 1.00 0.00 C ATOM 918 C LYS A 59 87.253 -0.345 11.132 1.00 0.00 C ATOM 919 O LYS A 59 87.871 0.388 11.862 1.00 0.00 O ATOM 920 CB LYS A 59 88.532 -1.824 9.566 1.00 0.00 C ATOM 921 CG LYS A 59 89.818 -1.008 9.718 1.00 0.00 C ATOM 922 CD LYS A 59 90.613 -1.056 8.412 1.00 0.00 C ATOM 923 CE LYS A 59 91.938 -0.312 8.589 1.00 0.00 C ATOM 924 NZ LYS A 59 91.679 1.151 8.697 1.00 0.00 N ATOM 0 H LYS A 59 86.506 -3.239 9.935 1.00 0.00 H new ATOM 0 HA LYS A 59 88.391 -2.064 11.704 1.00 0.00 H new ATOM 0 HB2 LYS A 59 88.771 -2.857 9.311 1.00 0.00 H new ATOM 0 HB3 LYS A 59 87.929 -1.425 8.750 1.00 0.00 H new ATOM 0 HG2 LYS A 59 89.578 0.025 9.972 1.00 0.00 H new ATOM 0 HG3 LYS A 59 90.419 -1.406 10.536 1.00 0.00 H new ATOM 0 HD2 LYS A 59 90.801 -2.091 8.127 1.00 0.00 H new ATOM 0 HD3 LYS A 59 90.035 -0.603 7.606 1.00 0.00 H new ATOM 0 HE2 LYS A 59 92.450 -0.668 9.483 1.00 0.00 H new ATOM 0 HE3 LYS A 59 92.596 -0.514 7.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 92.577 1.670 8.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 91.035 1.447 7.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 91.244 1.359 9.618 1.00 0.00 H new ATOM 938 N GLU A 60 86.170 0.073 10.536 1.00 0.00 N ATOM 939 CA GLU A 60 85.686 1.467 10.776 1.00 0.00 C ATOM 940 C GLU A 60 85.222 1.608 12.231 1.00 0.00 C ATOM 941 O GLU A 60 85.434 2.615 12.877 1.00 0.00 O ATOM 942 CB GLU A 60 84.518 1.769 9.835 1.00 0.00 C ATOM 943 CG GLU A 60 85.022 1.797 8.391 1.00 0.00 C ATOM 944 CD GLU A 60 83.858 2.092 7.445 1.00 0.00 C ATOM 945 OE1 GLU A 60 82.747 2.231 7.930 1.00 0.00 O ATOM 946 OE2 GLU A 60 84.095 2.166 6.250 1.00 0.00 O ATOM 0 H GLU A 60 85.601 -0.483 9.898 1.00 0.00 H new ATOM 0 HA GLU A 60 86.497 2.170 10.587 1.00 0.00 H new ATOM 0 HB2 GLU A 60 83.742 1.012 9.946 1.00 0.00 H new ATOM 0 HB3 GLU A 60 84.067 2.727 10.093 1.00 0.00 H new ATOM 0 HG2 GLU A 60 85.795 2.557 8.280 1.00 0.00 H new ATOM 0 HG3 GLU A 60 85.477 0.840 8.136 1.00 0.00 H new ATOM 953 N LEU A 61 84.575 0.598 12.728 1.00 0.00 N ATOM 954 CA LEU A 61 84.044 0.604 14.119 1.00 0.00 C ATOM 955 C LEU A 61 85.179 0.787 15.142 1.00 0.00 C ATOM 956 O LEU A 61 85.017 1.454 16.144 1.00 0.00 O ATOM 957 CB LEU A 61 83.362 -0.760 14.368 1.00 0.00 C ATOM 958 CG LEU A 61 81.955 -0.851 13.720 1.00 0.00 C ATOM 959 CD1 LEU A 61 80.922 -0.259 14.667 1.00 0.00 C ATOM 960 CD2 LEU A 61 81.877 -0.109 12.373 1.00 0.00 C ATOM 0 H LEU A 61 84.385 -0.261 12.212 1.00 0.00 H new ATOM 0 HA LEU A 61 83.342 1.430 14.235 1.00 0.00 H new ATOM 0 HB2 LEU A 61 83.993 -1.555 13.971 1.00 0.00 H new ATOM 0 HB3 LEU A 61 83.275 -0.928 15.441 1.00 0.00 H new ATOM 0 HG LEU A 61 81.754 -1.906 13.532 1.00 0.00 H new ATOM 0 HD11 LEU A 61 79.933 -0.322 14.213 1.00 0.00 H new ATOM 0 HD12 LEU A 61 80.927 -0.815 15.604 1.00 0.00 H new ATOM 0 HD13 LEU A 61 81.165 0.785 14.863 1.00 0.00 H new ATOM 0 HD21 LEU A 61 80.872 -0.204 11.963 1.00 0.00 H new ATOM 0 HD22 LEU A 61 82.109 0.945 12.524 1.00 0.00 H new ATOM 0 HD23 LEU A 61 82.595 -0.542 11.677 1.00 0.00 H new ATOM 972 N ASP A 62 86.304 0.173 14.919 1.00 0.00 N ATOM 973 CA ASP A 62 87.434 0.282 15.903 1.00 0.00 C ATOM 974 C ASP A 62 88.302 1.514 15.630 1.00 0.00 C ATOM 975 O ASP A 62 88.840 2.119 16.535 1.00 0.00 O ATOM 976 CB ASP A 62 88.313 -0.968 15.803 1.00 0.00 C ATOM 977 CG ASP A 62 87.556 -2.177 16.354 1.00 0.00 C ATOM 978 OD1 ASP A 62 86.612 -1.972 17.099 1.00 0.00 O ATOM 979 OD2 ASP A 62 87.940 -3.289 16.029 1.00 0.00 O ATOM 0 H ASP A 62 86.498 -0.402 14.099 1.00 0.00 H new ATOM 0 HA ASP A 62 87.003 0.376 16.900 1.00 0.00 H new ATOM 0 HB2 ASP A 62 88.593 -1.145 14.765 1.00 0.00 H new ATOM 0 HB3 ASP A 62 89.237 -0.820 16.362 1.00 0.00 H new ATOM 984 N GLU A 63 88.468 1.868 14.394 1.00 0.00 N ATOM 985 CA GLU A 63 89.328 3.033 14.055 1.00 0.00 C ATOM 986 C GLU A 63 88.629 4.333 14.452 1.00 0.00 C ATOM 987 O GLU A 63 89.263 5.314 14.787 1.00 0.00 O ATOM 988 CB GLU A 63 89.645 2.988 12.548 1.00 0.00 C ATOM 989 CG GLU A 63 88.533 3.649 11.709 1.00 0.00 C ATOM 990 CD GLU A 63 88.799 5.153 11.561 1.00 0.00 C ATOM 991 OE1 GLU A 63 89.480 5.704 12.408 1.00 0.00 O ATOM 992 OE2 GLU A 63 88.321 5.724 10.593 1.00 0.00 O ATOM 0 H GLU A 63 88.043 1.398 13.595 1.00 0.00 H new ATOM 0 HA GLU A 63 90.266 2.990 14.609 1.00 0.00 H new ATOM 0 HB2 GLU A 63 90.592 3.495 12.360 1.00 0.00 H new ATOM 0 HB3 GLU A 63 89.770 1.952 12.234 1.00 0.00 H new ATOM 0 HG2 GLU A 63 88.485 3.183 10.725 1.00 0.00 H new ATOM 0 HG3 GLU A 63 87.565 3.489 12.185 1.00 0.00 H new ATOM 999 N ASN A 64 87.328 4.347 14.419 1.00 0.00 N ATOM 1000 CA ASN A 64 86.577 5.576 14.794 1.00 0.00 C ATOM 1001 C ASN A 64 85.235 5.171 15.410 1.00 0.00 C ATOM 1002 O ASN A 64 84.200 5.721 15.095 1.00 0.00 O ATOM 1003 CB ASN A 64 86.354 6.420 13.539 1.00 0.00 C ATOM 1004 CG ASN A 64 85.581 7.686 13.903 1.00 0.00 C ATOM 1005 OD1 ASN A 64 85.356 7.963 15.064 1.00 0.00 O ATOM 1006 ND2 ASN A 64 85.163 8.473 12.953 1.00 0.00 N ATOM 0 H ASN A 64 86.747 3.554 14.146 1.00 0.00 H new ATOM 0 HA ASN A 64 87.139 6.160 15.522 1.00 0.00 H new ATOM 0 HB2 ASN A 64 87.312 6.683 13.091 1.00 0.00 H new ATOM 0 HB3 ASN A 64 85.801 5.845 12.796 1.00 0.00 H new ATOM 0 HD21 ASN A 64 84.647 9.322 13.184 1.00 0.00 H new ATOM 0 HD22 ASN A 64 85.352 8.240 11.978 1.00 0.00 H new ATOM 1013 N GLY A 65 85.254 4.211 16.297 1.00 0.00 N ATOM 1014 CA GLY A 65 83.992 3.757 16.948 1.00 0.00 C ATOM 1015 C GLY A 65 83.226 4.972 17.468 1.00 0.00 C ATOM 1016 O GLY A 65 82.012 4.976 17.536 1.00 0.00 O ATOM 0 H GLY A 65 86.095 3.720 16.599 1.00 0.00 H new ATOM 0 HA2 GLY A 65 83.380 3.205 16.235 1.00 0.00 H new ATOM 0 HA3 GLY A 65 84.217 3.076 17.769 1.00 0.00 H new ATOM 1020 N ASP A 66 83.933 6.001 17.846 1.00 0.00 N ATOM 1021 CA ASP A 66 83.262 7.221 18.379 1.00 0.00 C ATOM 1022 C ASP A 66 82.719 8.076 17.231 1.00 0.00 C ATOM 1023 O ASP A 66 81.995 9.026 17.450 1.00 0.00 O ATOM 1024 CB ASP A 66 84.276 8.042 19.180 1.00 0.00 C ATOM 1025 CG ASP A 66 84.624 7.305 20.474 1.00 0.00 C ATOM 1026 OD1 ASP A 66 83.832 6.476 20.892 1.00 0.00 O ATOM 1027 OD2 ASP A 66 85.678 7.579 21.022 1.00 0.00 O ATOM 0 H ASP A 66 84.951 6.050 17.809 1.00 0.00 H new ATOM 0 HA ASP A 66 82.433 6.918 19.018 1.00 0.00 H new ATOM 0 HB2 ASP A 66 85.177 8.204 18.588 1.00 0.00 H new ATOM 0 HB3 ASP A 66 83.864 9.025 19.409 1.00 0.00 H new ATOM 1032 N GLY A 67 83.054 7.754 16.011 1.00 0.00 N ATOM 1033 CA GLY A 67 82.546 8.556 14.872 1.00 0.00 C ATOM 1034 C GLY A 67 81.030 8.424 14.805 1.00 0.00 C ATOM 1035 O GLY A 67 80.367 8.241 15.805 1.00 0.00 O ATOM 0 H GLY A 67 83.657 6.971 15.758 1.00 0.00 H new ATOM 0 HA2 GLY A 67 82.827 9.602 14.994 1.00 0.00 H new ATOM 0 HA3 GLY A 67 82.995 8.212 13.940 1.00 0.00 H new ATOM 1039 N GLU A 68 80.476 8.514 13.633 1.00 0.00 N ATOM 1040 CA GLU A 68 78.994 8.398 13.501 1.00 0.00 C ATOM 1041 C GLU A 68 78.607 7.998 12.075 1.00 0.00 C ATOM 1042 O GLU A 68 79.363 8.161 11.137 1.00 0.00 O ATOM 1043 CB GLU A 68 78.345 9.741 13.854 1.00 0.00 C ATOM 1044 CG GLU A 68 78.882 10.835 12.926 1.00 0.00 C ATOM 1045 CD GLU A 68 78.246 12.177 13.298 1.00 0.00 C ATOM 1046 OE1 GLU A 68 77.253 12.164 14.008 1.00 0.00 O ATOM 1047 OE2 GLU A 68 78.764 13.193 12.867 1.00 0.00 O ATOM 0 H GLU A 68 80.981 8.663 12.759 1.00 0.00 H new ATOM 0 HA GLU A 68 78.641 7.626 14.184 1.00 0.00 H new ATOM 0 HB2 GLU A 68 77.262 9.669 13.758 1.00 0.00 H new ATOM 0 HB3 GLU A 68 78.556 9.996 14.893 1.00 0.00 H new ATOM 0 HG2 GLU A 68 79.967 10.899 13.011 1.00 0.00 H new ATOM 0 HG3 GLU A 68 78.657 10.589 11.888 1.00 0.00 H new ATOM 1054 N VAL A 69 77.417 7.476 11.920 1.00 0.00 N ATOM 1055 CA VAL A 69 76.920 7.048 10.575 1.00 0.00 C ATOM 1056 C VAL A 69 75.525 7.635 10.357 1.00 0.00 C ATOM 1057 O VAL A 69 74.792 7.868 11.297 1.00 0.00 O ATOM 1058 CB VAL A 69 76.848 5.506 10.525 1.00 0.00 C ATOM 1059 CG1 VAL A 69 78.268 4.928 10.326 1.00 0.00 C ATOM 1060 CG2 VAL A 69 76.213 4.950 11.837 1.00 0.00 C ATOM 0 H VAL A 69 76.756 7.325 12.682 1.00 0.00 H new ATOM 0 HA VAL A 69 77.595 7.402 9.796 1.00 0.00 H new ATOM 0 HB VAL A 69 76.220 5.204 9.687 1.00 0.00 H new ATOM 0 HG11 VAL A 69 78.216 3.840 10.291 1.00 0.00 H new ATOM 0 HG12 VAL A 69 78.685 5.302 9.391 1.00 0.00 H new ATOM 0 HG13 VAL A 69 78.905 5.234 11.156 1.00 0.00 H new ATOM 0 HG21 VAL A 69 76.169 3.862 11.787 1.00 0.00 H new ATOM 0 HG22 VAL A 69 76.821 5.250 12.691 1.00 0.00 H new ATOM 0 HG23 VAL A 69 75.205 5.349 11.951 1.00 0.00 H new ATOM 1070 N ASP A 70 75.156 7.886 9.123 1.00 0.00 N ATOM 1071 CA ASP A 70 73.810 8.465 8.824 1.00 0.00 C ATOM 1072 C ASP A 70 73.051 7.534 7.870 1.00 0.00 C ATOM 1073 O ASP A 70 73.324 6.353 7.787 1.00 0.00 O ATOM 1074 CB ASP A 70 73.988 9.837 8.168 1.00 0.00 C ATOM 1075 CG ASP A 70 75.009 10.653 8.964 1.00 0.00 C ATOM 1076 OD1 ASP A 70 75.223 10.330 10.120 1.00 0.00 O ATOM 1077 OD2 ASP A 70 75.562 11.584 8.402 1.00 0.00 O ATOM 0 H ASP A 70 75.737 7.712 8.303 1.00 0.00 H new ATOM 0 HA ASP A 70 73.243 8.572 9.749 1.00 0.00 H new ATOM 0 HB2 ASP A 70 74.324 9.719 7.138 1.00 0.00 H new ATOM 0 HB3 ASP A 70 73.034 10.362 8.134 1.00 0.00 H new ATOM 1082 N PHE A 71 72.077 8.058 7.178 1.00 0.00 N ATOM 1083 CA PHE A 71 71.261 7.217 6.251 1.00 0.00 C ATOM 1084 C PHE A 71 72.112 6.575 5.155 1.00 0.00 C ATOM 1085 O PHE A 71 72.045 5.394 4.935 1.00 0.00 O ATOM 1086 CB PHE A 71 70.207 8.101 5.588 1.00 0.00 C ATOM 1087 CG PHE A 71 70.891 9.283 4.936 1.00 0.00 C ATOM 1088 CD1 PHE A 71 71.101 10.454 5.667 1.00 0.00 C ATOM 1089 CD2 PHE A 71 71.313 9.207 3.604 1.00 0.00 C ATOM 1090 CE1 PHE A 71 71.734 11.550 5.067 1.00 0.00 C ATOM 1091 CE2 PHE A 71 71.943 10.300 3.004 1.00 0.00 C ATOM 1092 CZ PHE A 71 72.155 11.473 3.734 1.00 0.00 C ATOM 0 H PHE A 71 71.808 9.041 7.214 1.00 0.00 H new ATOM 0 HA PHE A 71 70.805 6.419 6.837 1.00 0.00 H new ATOM 0 HB2 PHE A 71 69.652 7.530 4.844 1.00 0.00 H new ATOM 0 HB3 PHE A 71 69.485 8.446 6.329 1.00 0.00 H new ATOM 0 HD1 PHE A 71 70.775 10.515 6.695 1.00 0.00 H new ATOM 0 HD2 PHE A 71 71.151 8.301 3.038 1.00 0.00 H new ATOM 0 HE1 PHE A 71 71.897 12.455 5.633 1.00 0.00 H new ATOM 0 HE2 PHE A 71 72.266 10.239 1.975 1.00 0.00 H new ATOM 0 HZ PHE A 71 72.643 12.318 3.271 1.00 0.00 H new ATOM 1102 N GLN A 72 72.888 7.341 4.452 1.00 0.00 N ATOM 1103 CA GLN A 72 73.719 6.766 3.357 1.00 0.00 C ATOM 1104 C GLN A 72 74.820 5.916 3.957 1.00 0.00 C ATOM 1105 O GLN A 72 75.286 4.974 3.368 1.00 0.00 O ATOM 1106 CB GLN A 72 74.340 7.894 2.514 1.00 0.00 C ATOM 1107 CG GLN A 72 75.466 7.336 1.600 1.00 0.00 C ATOM 1108 CD GLN A 72 76.837 7.565 2.251 1.00 0.00 C ATOM 1109 OE1 GLN A 72 77.627 6.549 2.453 1.00 0.00 O flip ATOM 1110 NE2 GLN A 72 77.188 8.683 2.577 1.00 0.00 N flip ATOM 0 H GLN A 72 72.986 8.347 4.586 1.00 0.00 H new ATOM 0 HA GLN A 72 73.088 6.152 2.715 1.00 0.00 H new ATOM 0 HB2 GLN A 72 73.570 8.366 1.904 1.00 0.00 H new ATOM 0 HB3 GLN A 72 74.745 8.665 3.170 1.00 0.00 H new ATOM 0 HG2 GLN A 72 75.310 6.271 1.427 1.00 0.00 H new ATOM 0 HG3 GLN A 72 75.431 7.825 0.627 1.00 0.00 H new ATOM 0 HE21 GLN A 72 76.569 9.478 2.419 1.00 0.00 H new ATOM 0 HE22 GLN A 72 78.101 8.825 3.009 1.00 0.00 H new ATOM 1119 N GLU A 73 75.252 6.260 5.118 1.00 0.00 N ATOM 1120 CA GLU A 73 76.345 5.476 5.750 1.00 0.00 C ATOM 1121 C GLU A 73 75.769 4.175 6.279 1.00 0.00 C ATOM 1122 O GLU A 73 76.392 3.140 6.227 1.00 0.00 O ATOM 1123 CB GLU A 73 76.969 6.260 6.886 1.00 0.00 C ATOM 1124 CG GLU A 73 77.333 7.663 6.393 1.00 0.00 C ATOM 1125 CD GLU A 73 78.158 8.388 7.457 1.00 0.00 C ATOM 1126 OE1 GLU A 73 79.042 7.762 8.018 1.00 0.00 O ATOM 1127 OE2 GLU A 73 77.891 9.554 7.695 1.00 0.00 O ATOM 0 H GLU A 73 74.903 7.047 5.665 1.00 0.00 H new ATOM 0 HA GLU A 73 77.118 5.269 5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 73 76.274 6.325 7.723 1.00 0.00 H new ATOM 0 HB3 GLU A 73 77.859 5.748 7.250 1.00 0.00 H new ATOM 0 HG2 GLU A 73 77.899 7.596 5.464 1.00 0.00 H new ATOM 0 HG3 GLU A 73 76.427 8.228 6.175 1.00 0.00 H new ATOM 1134 N PHE A 74 74.572 4.222 6.787 1.00 0.00 N ATOM 1135 CA PHE A 74 73.938 2.989 7.308 1.00 0.00 C ATOM 1136 C PHE A 74 73.597 2.068 6.134 1.00 0.00 C ATOM 1137 O PHE A 74 73.634 0.868 6.246 1.00 0.00 O ATOM 1138 CB PHE A 74 72.664 3.375 8.090 1.00 0.00 C ATOM 1139 CG PHE A 74 71.680 2.222 8.106 1.00 0.00 C ATOM 1140 CD1 PHE A 74 70.873 1.992 6.986 1.00 0.00 C ATOM 1141 CD2 PHE A 74 71.587 1.381 9.218 1.00 0.00 C ATOM 1142 CE1 PHE A 74 69.975 0.924 6.976 1.00 0.00 C ATOM 1143 CE2 PHE A 74 70.690 0.307 9.207 1.00 0.00 C ATOM 1144 CZ PHE A 74 69.885 0.079 8.087 1.00 0.00 C ATOM 0 H PHE A 74 74.005 5.067 6.863 1.00 0.00 H new ATOM 0 HA PHE A 74 74.617 2.462 7.979 1.00 0.00 H new ATOM 0 HB2 PHE A 74 72.927 3.651 9.111 1.00 0.00 H new ATOM 0 HB3 PHE A 74 72.201 4.250 7.633 1.00 0.00 H new ATOM 0 HD1 PHE A 74 70.945 2.643 6.127 1.00 0.00 H new ATOM 0 HD2 PHE A 74 72.206 1.560 10.085 1.00 0.00 H new ATOM 0 HE1 PHE A 74 69.351 0.750 6.112 1.00 0.00 H new ATOM 0 HE2 PHE A 74 70.620 -0.346 10.064 1.00 0.00 H new ATOM 0 HZ PHE A 74 69.193 -0.750 8.080 1.00 0.00 H new ATOM 1154 N VAL A 75 73.235 2.627 5.024 1.00 0.00 N ATOM 1155 CA VAL A 75 72.862 1.783 3.852 1.00 0.00 C ATOM 1156 C VAL A 75 74.103 1.168 3.213 1.00 0.00 C ATOM 1157 O VAL A 75 74.094 0.036 2.789 1.00 0.00 O ATOM 1158 CB VAL A 75 72.118 2.653 2.817 1.00 0.00 C ATOM 1159 CG1 VAL A 75 72.006 1.926 1.477 1.00 0.00 C ATOM 1160 CG2 VAL A 75 70.705 2.963 3.314 1.00 0.00 C ATOM 0 H VAL A 75 73.179 3.634 4.870 1.00 0.00 H new ATOM 0 HA VAL A 75 72.214 0.974 4.190 1.00 0.00 H new ATOM 0 HB VAL A 75 72.685 3.575 2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 75 71.478 2.558 0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 75 73.004 1.706 1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 75 71.456 0.995 1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 75 70.187 3.577 2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 75 70.158 2.032 3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 75 70.762 3.501 4.260 1.00 0.00 H new ATOM 1170 N VAL A 76 75.145 1.919 3.096 1.00 0.00 N ATOM 1171 CA VAL A 76 76.372 1.397 2.447 1.00 0.00 C ATOM 1172 C VAL A 76 77.039 0.352 3.345 1.00 0.00 C ATOM 1173 O VAL A 76 77.516 -0.664 2.887 1.00 0.00 O ATOM 1174 CB VAL A 76 77.311 2.581 2.196 1.00 0.00 C ATOM 1175 CG1 VAL A 76 78.678 2.090 1.740 1.00 0.00 C ATOM 1176 CG2 VAL A 76 76.714 3.484 1.115 1.00 0.00 C ATOM 0 H VAL A 76 75.206 2.883 3.424 1.00 0.00 H new ATOM 0 HA VAL A 76 76.129 0.911 1.502 1.00 0.00 H new ATOM 0 HB VAL A 76 77.427 3.138 3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.332 2.944 1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 76 79.111 1.452 2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 76 78.571 1.521 0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 76 77.381 4.327 0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 76 76.591 2.916 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 76 75.743 3.854 1.445 1.00 0.00 H new ATOM 1186 N LEU A 77 77.079 0.611 4.616 1.00 0.00 N ATOM 1187 CA LEU A 77 77.712 -0.333 5.580 1.00 0.00 C ATOM 1188 C LEU A 77 76.846 -1.582 5.741 1.00 0.00 C ATOM 1189 O LEU A 77 77.340 -2.682 5.845 1.00 0.00 O ATOM 1190 CB LEU A 77 77.854 0.381 6.932 1.00 0.00 C ATOM 1191 CG LEU A 77 78.813 -0.388 7.876 1.00 0.00 C ATOM 1192 CD1 LEU A 77 79.439 0.595 8.875 1.00 0.00 C ATOM 1193 CD2 LEU A 77 78.058 -1.487 8.654 1.00 0.00 C ATOM 0 H LEU A 77 76.692 1.454 5.040 1.00 0.00 H new ATOM 0 HA LEU A 77 78.691 -0.639 5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 77 78.229 1.392 6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 77 76.875 0.474 7.402 1.00 0.00 H new ATOM 0 HG LEU A 77 79.588 -0.858 7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 77 80.114 0.057 9.540 1.00 0.00 H new ATOM 0 HD12 LEU A 77 79.996 1.359 8.333 1.00 0.00 H new ATOM 0 HD13 LEU A 77 78.652 1.068 9.462 1.00 0.00 H new ATOM 0 HD21 LEU A 77 78.753 -2.012 9.309 1.00 0.00 H new ATOM 0 HD22 LEU A 77 77.269 -1.032 9.252 1.00 0.00 H new ATOM 0 HD23 LEU A 77 77.618 -2.194 7.951 1.00 0.00 H new ATOM 1205 N VAL A 78 75.556 -1.421 5.776 1.00 0.00 N ATOM 1206 CA VAL A 78 74.670 -2.605 5.943 1.00 0.00 C ATOM 1207 C VAL A 78 74.744 -3.448 4.673 1.00 0.00 C ATOM 1208 O VAL A 78 74.789 -4.656 4.726 1.00 0.00 O ATOM 1209 CB VAL A 78 73.216 -2.181 6.200 1.00 0.00 C ATOM 1210 CG1 VAL A 78 72.360 -3.457 6.314 1.00 0.00 C ATOM 1211 CG2 VAL A 78 73.103 -1.377 7.515 1.00 0.00 C ATOM 0 H VAL A 78 75.076 -0.524 5.697 1.00 0.00 H new ATOM 0 HA VAL A 78 75.006 -3.181 6.805 1.00 0.00 H new ATOM 0 HB VAL A 78 72.872 -1.550 5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 78 71.321 -3.183 6.497 1.00 0.00 H new ATOM 0 HG12 VAL A 78 72.428 -4.025 5.386 1.00 0.00 H new ATOM 0 HG13 VAL A 78 72.725 -4.067 7.140 1.00 0.00 H new ATOM 0 HG21 VAL A 78 72.065 -1.087 7.676 1.00 0.00 H new ATOM 0 HG22 VAL A 78 73.442 -1.993 8.348 1.00 0.00 H new ATOM 0 HG23 VAL A 78 73.723 -0.483 7.449 1.00 0.00 H new ATOM 1221 N ALA A 79 74.776 -2.816 3.530 1.00 0.00 N ATOM 1222 CA ALA A 79 74.875 -3.583 2.261 1.00 0.00 C ATOM 1223 C ALA A 79 76.177 -4.372 2.300 1.00 0.00 C ATOM 1224 O ALA A 79 76.251 -5.513 1.891 1.00 0.00 O ATOM 1225 CB ALA A 79 74.881 -2.610 1.074 1.00 0.00 C ATOM 0 H ALA A 79 74.738 -1.802 3.423 1.00 0.00 H new ATOM 0 HA ALA A 79 74.028 -4.259 2.147 1.00 0.00 H new ATOM 0 HB1 ALA A 79 74.954 -3.172 0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 79 73.959 -2.028 1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 79 75.735 -1.937 1.159 1.00 0.00 H new ATOM 1231 N ALA A 80 77.203 -3.754 2.806 1.00 0.00 N ATOM 1232 CA ALA A 80 78.519 -4.424 2.905 1.00 0.00 C ATOM 1233 C ALA A 80 78.380 -5.679 3.780 1.00 0.00 C ATOM 1234 O ALA A 80 78.947 -6.713 3.500 1.00 0.00 O ATOM 1235 CB ALA A 80 79.514 -3.431 3.514 1.00 0.00 C ATOM 0 H ALA A 80 77.182 -2.798 3.160 1.00 0.00 H new ATOM 0 HA ALA A 80 78.879 -4.733 1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 80 80.493 -3.902 3.597 1.00 0.00 H new ATOM 0 HB2 ALA A 80 79.588 -2.551 2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 80 79.170 -3.132 4.504 1.00 0.00 H new ATOM 1241 N LEU A 81 77.626 -5.600 4.838 1.00 0.00 N ATOM 1242 CA LEU A 81 77.448 -6.794 5.712 1.00 0.00 C ATOM 1243 C LEU A 81 76.726 -7.887 4.905 1.00 0.00 C ATOM 1244 O LEU A 81 76.997 -9.062 5.043 1.00 0.00 O ATOM 1245 CB LEU A 81 76.618 -6.395 6.948 1.00 0.00 C ATOM 1246 CG LEU A 81 77.001 -7.258 8.162 1.00 0.00 C ATOM 1247 CD1 LEU A 81 76.297 -6.718 9.410 1.00 0.00 C ATOM 1248 CD2 LEU A 81 76.588 -8.720 7.925 1.00 0.00 C ATOM 0 H LEU A 81 77.125 -4.763 5.137 1.00 0.00 H new ATOM 0 HA LEU A 81 78.413 -7.174 6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 81 76.782 -5.342 7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 81 75.556 -6.513 6.732 1.00 0.00 H new ATOM 0 HG LEU A 81 78.081 -7.217 8.304 1.00 0.00 H new ATOM 0 HD11 LEU A 81 76.567 -7.328 10.272 1.00 0.00 H new ATOM 0 HD12 LEU A 81 76.605 -5.687 9.584 1.00 0.00 H new ATOM 0 HD13 LEU A 81 75.218 -6.754 9.263 1.00 0.00 H new ATOM 0 HD21 LEU A 81 76.864 -9.321 8.791 1.00 0.00 H new ATOM 0 HD22 LEU A 81 75.510 -8.774 7.775 1.00 0.00 H new ATOM 0 HD23 LEU A 81 77.097 -9.103 7.040 1.00 0.00 H new ATOM 1260 N THR A 82 75.808 -7.499 4.058 1.00 0.00 N ATOM 1261 CA THR A 82 75.065 -8.501 3.244 1.00 0.00 C ATOM 1262 C THR A 82 76.068 -9.315 2.419 1.00 0.00 C ATOM 1263 O THR A 82 75.894 -10.498 2.206 1.00 0.00 O ATOM 1264 CB THR A 82 74.086 -7.769 2.315 1.00 0.00 C ATOM 1265 OG1 THR A 82 73.486 -6.698 3.028 1.00 0.00 O ATOM 1266 CG2 THR A 82 72.992 -8.730 1.846 1.00 0.00 C ATOM 0 H THR A 82 75.542 -6.528 3.896 1.00 0.00 H new ATOM 0 HA THR A 82 74.504 -9.174 3.893 1.00 0.00 H new ATOM 0 HB THR A 82 74.627 -7.390 1.448 1.00 0.00 H new ATOM 0 HG1 THR A 82 72.860 -6.224 2.441 1.00 0.00 H new ATOM 0 HG21 THR A 82 72.302 -8.202 1.188 1.00 0.00 H new ATOM 0 HG22 THR A 82 73.445 -9.561 1.306 1.00 0.00 H new ATOM 0 HG23 THR A 82 72.448 -9.112 2.710 1.00 0.00 H new ATOM 1274 N VAL A 83 77.125 -8.691 1.971 1.00 0.00 N ATOM 1275 CA VAL A 83 78.153 -9.427 1.176 1.00 0.00 C ATOM 1276 C VAL A 83 78.718 -10.557 2.026 1.00 0.00 C ATOM 1277 O VAL A 83 78.945 -11.653 1.558 1.00 0.00 O ATOM 1278 CB VAL A 83 79.294 -8.465 0.832 1.00 0.00 C ATOM 1279 CG1 VAL A 83 80.487 -9.232 0.252 1.00 0.00 C ATOM 1280 CG2 VAL A 83 78.801 -7.438 -0.178 1.00 0.00 C ATOM 0 H VAL A 83 77.322 -7.701 2.121 1.00 0.00 H new ATOM 0 HA VAL A 83 77.704 -9.825 0.266 1.00 0.00 H new ATOM 0 HB VAL A 83 79.617 -7.959 1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 83 81.288 -8.532 0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 83 80.844 -9.957 0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 83 80.179 -9.753 -0.654 1.00 0.00 H new ATOM 0 HG21 VAL A 83 79.611 -6.752 -0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 83 78.469 -7.948 -1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 83 77.969 -6.878 0.249 1.00 0.00 H new ATOM 1290 N ALA A 84 78.951 -10.288 3.273 1.00 0.00 N ATOM 1291 CA ALA A 84 79.506 -11.332 4.165 1.00 0.00 C ATOM 1292 C ALA A 84 78.454 -12.401 4.416 1.00 0.00 C ATOM 1293 O ALA A 84 78.770 -13.498 4.798 1.00 0.00 O ATOM 1294 CB ALA A 84 79.924 -10.710 5.493 1.00 0.00 C ATOM 0 H ALA A 84 78.780 -9.385 3.715 1.00 0.00 H new ATOM 0 HA ALA A 84 80.377 -11.782 3.688 1.00 0.00 H new ATOM 0 HB1 ALA A 84 80.331 -11.483 6.145 1.00 0.00 H new ATOM 0 HB2 ALA A 84 80.683 -9.948 5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 84 79.057 -10.253 5.970 1.00 0.00 H new ATOM 1300 N CYS A 85 77.205 -12.085 4.221 1.00 0.00 N ATOM 1301 CA CYS A 85 76.123 -13.067 4.455 1.00 0.00 C ATOM 1302 C CYS A 85 75.173 -13.005 3.265 1.00 0.00 C ATOM 1303 O CYS A 85 73.974 -12.967 3.426 1.00 0.00 O ATOM 1304 CB CYS A 85 75.372 -12.675 5.724 1.00 0.00 C ATOM 1305 SG CYS A 85 76.361 -13.113 7.176 1.00 0.00 S ATOM 0 H CYS A 85 76.888 -11.169 3.903 1.00 0.00 H new ATOM 0 HA CYS A 85 76.526 -14.074 4.567 1.00 0.00 H new ATOM 0 HB2 CYS A 85 75.167 -11.605 5.721 1.00 0.00 H new ATOM 0 HB3 CYS A 85 74.409 -13.184 5.761 1.00 0.00 H new ATOM 0 HG CYS A 85 75.799 -14.105 7.801 1.00 0.00 H new ATOM 1311 N ASN A 86 75.695 -12.989 2.066 1.00 0.00 N ATOM 1312 CA ASN A 86 74.808 -12.929 0.864 1.00 0.00 C ATOM 1313 C ASN A 86 73.957 -14.200 0.804 1.00 0.00 C ATOM 1314 O ASN A 86 73.610 -14.685 -0.251 1.00 0.00 O ATOM 1315 CB ASN A 86 75.661 -12.821 -0.401 1.00 0.00 C ATOM 1316 CG ASN A 86 76.600 -14.024 -0.482 1.00 0.00 C ATOM 1317 OD1 ASN A 86 76.187 -15.104 -0.854 1.00 0.00 O ATOM 1318 ND2 ASN A 86 77.851 -13.887 -0.138 1.00 0.00 N ATOM 0 H ASN A 86 76.695 -13.015 1.866 1.00 0.00 H new ATOM 0 HA ASN A 86 74.159 -12.056 0.932 1.00 0.00 H new ATOM 0 HB2 ASN A 86 75.021 -12.785 -1.283 1.00 0.00 H new ATOM 0 HB3 ASN A 86 76.237 -11.896 -0.387 1.00 0.00 H new ATOM 0 HD21 ASN A 86 78.482 -14.687 -0.181 1.00 0.00 H new ATOM 0 HD22 ASN A 86 78.198 -12.980 0.174 1.00 0.00 H new ATOM 1465 N GLU B 3 62.133 -4.411 11.738 1.00 0.00 N ATOM 1466 CA GLU B 3 61.878 -3.272 10.810 1.00 0.00 C ATOM 1467 C GLU B 3 62.955 -3.216 9.713 1.00 0.00 C ATOM 1468 O GLU B 3 62.644 -3.165 8.540 1.00 0.00 O ATOM 1469 CB GLU B 3 61.892 -1.968 11.623 1.00 0.00 C ATOM 1470 CG GLU B 3 60.720 -1.964 12.605 1.00 0.00 C ATOM 1471 CD GLU B 3 60.763 -0.685 13.445 1.00 0.00 C ATOM 1472 OE1 GLU B 3 61.744 0.032 13.348 1.00 0.00 O ATOM 1473 OE2 GLU B 3 59.813 -0.444 14.170 1.00 0.00 O ATOM 0 HA GLU B 3 60.910 -3.405 10.328 1.00 0.00 H new ATOM 0 HB2 GLU B 3 62.834 -1.875 12.164 1.00 0.00 H new ATOM 0 HB3 GLU B 3 61.823 -1.110 10.954 1.00 0.00 H new ATOM 0 HG2 GLU B 3 59.777 -2.024 12.062 1.00 0.00 H new ATOM 0 HG3 GLU B 3 60.771 -2.839 13.253 1.00 0.00 H new ATOM 1480 N LEU B 4 64.217 -3.235 10.071 1.00 0.00 N ATOM 1481 CA LEU B 4 65.284 -3.193 9.018 1.00 0.00 C ATOM 1482 C LEU B 4 65.340 -4.536 8.277 1.00 0.00 C ATOM 1483 O LEU B 4 65.546 -4.583 7.081 1.00 0.00 O ATOM 1484 CB LEU B 4 66.659 -2.889 9.634 1.00 0.00 C ATOM 1485 CG LEU B 4 66.666 -1.506 10.312 1.00 0.00 C ATOM 1486 CD1 LEU B 4 67.983 -1.327 11.072 1.00 0.00 C ATOM 1487 CD2 LEU B 4 66.545 -0.384 9.260 1.00 0.00 C ATOM 0 H LEU B 4 64.553 -3.277 11.033 1.00 0.00 H new ATOM 0 HA LEU B 4 65.036 -2.396 8.317 1.00 0.00 H new ATOM 0 HB2 LEU B 4 66.912 -3.657 10.364 1.00 0.00 H new ATOM 0 HB3 LEU B 4 67.424 -2.922 8.859 1.00 0.00 H new ATOM 0 HG LEU B 4 65.818 -1.447 10.995 1.00 0.00 H new ATOM 0 HD11 LEU B 4 67.995 -0.350 11.555 1.00 0.00 H new ATOM 0 HD12 LEU B 4 68.075 -2.106 11.828 1.00 0.00 H new ATOM 0 HD13 LEU B 4 68.818 -1.397 10.375 1.00 0.00 H new ATOM 0 HD21 LEU B 4 66.552 0.585 9.759 1.00 0.00 H new ATOM 0 HD22 LEU B 4 67.385 -0.442 8.568 1.00 0.00 H new ATOM 0 HD23 LEU B 4 65.612 -0.501 8.708 1.00 0.00 H new ATOM 1499 N GLU B 5 65.182 -5.631 8.977 1.00 0.00 N ATOM 1500 CA GLU B 5 65.250 -6.962 8.303 1.00 0.00 C ATOM 1501 C GLU B 5 64.161 -7.042 7.231 1.00 0.00 C ATOM 1502 O GLU B 5 64.383 -7.544 6.147 1.00 0.00 O ATOM 1503 CB GLU B 5 65.038 -8.072 9.346 1.00 0.00 C ATOM 1504 CG GLU B 5 65.129 -9.455 8.685 1.00 0.00 C ATOM 1505 CD GLU B 5 66.563 -9.701 8.222 1.00 0.00 C ATOM 1506 OE1 GLU B 5 67.431 -8.946 8.629 1.00 0.00 O ATOM 1507 OE2 GLU B 5 66.771 -10.638 7.470 1.00 0.00 O ATOM 0 H GLU B 5 65.010 -5.661 9.982 1.00 0.00 H new ATOM 0 HA GLU B 5 66.226 -7.090 7.835 1.00 0.00 H new ATOM 0 HB2 GLU B 5 65.788 -7.988 10.133 1.00 0.00 H new ATOM 0 HB3 GLU B 5 64.064 -7.952 9.820 1.00 0.00 H new ATOM 0 HG2 GLU B 5 64.825 -10.228 9.390 1.00 0.00 H new ATOM 0 HG3 GLU B 5 64.446 -9.511 7.837 1.00 0.00 H new ATOM 1514 N THR B 6 62.991 -6.550 7.517 1.00 0.00 N ATOM 1515 CA THR B 6 61.903 -6.601 6.504 1.00 0.00 C ATOM 1516 C THR B 6 62.324 -5.817 5.259 1.00 0.00 C ATOM 1517 O THR B 6 62.062 -6.215 4.142 1.00 0.00 O ATOM 1518 CB THR B 6 60.627 -5.989 7.091 1.00 0.00 C ATOM 1519 OG1 THR B 6 60.237 -6.726 8.240 1.00 0.00 O ATOM 1520 CG2 THR B 6 59.514 -6.039 6.044 1.00 0.00 C ATOM 0 H THR B 6 62.741 -6.116 8.405 1.00 0.00 H new ATOM 0 HA THR B 6 61.713 -7.638 6.229 1.00 0.00 H new ATOM 0 HB THR B 6 60.812 -4.952 7.373 1.00 0.00 H new ATOM 0 HG1 THR B 6 59.422 -6.335 8.618 1.00 0.00 H new ATOM 0 HG21 THR B 6 58.605 -5.604 6.459 1.00 0.00 H new ATOM 0 HG22 THR B 6 59.818 -5.473 5.163 1.00 0.00 H new ATOM 0 HG23 THR B 6 59.325 -7.075 5.763 1.00 0.00 H new ATOM 1528 N ALA B 7 62.965 -4.699 5.449 1.00 0.00 N ATOM 1529 CA ALA B 7 63.397 -3.868 4.287 1.00 0.00 C ATOM 1530 C ALA B 7 64.349 -4.654 3.380 1.00 0.00 C ATOM 1531 O ALA B 7 64.279 -4.556 2.174 1.00 0.00 O ATOM 1532 CB ALA B 7 64.105 -2.614 4.802 1.00 0.00 C ATOM 0 H ALA B 7 63.211 -4.321 6.364 1.00 0.00 H new ATOM 0 HA ALA B 7 62.516 -3.591 3.707 1.00 0.00 H new ATOM 0 HB1 ALA B 7 64.423 -2.003 3.957 1.00 0.00 H new ATOM 0 HB2 ALA B 7 63.421 -2.041 5.427 1.00 0.00 H new ATOM 0 HB3 ALA B 7 64.977 -2.903 5.389 1.00 0.00 H new ATOM 1538 N MET B 8 65.247 -5.419 3.939 1.00 0.00 N ATOM 1539 CA MET B 8 66.200 -6.189 3.082 1.00 0.00 C ATOM 1540 C MET B 8 65.438 -7.156 2.168 1.00 0.00 C ATOM 1541 O MET B 8 65.778 -7.329 1.014 1.00 0.00 O ATOM 1542 CB MET B 8 67.164 -6.987 3.982 1.00 0.00 C ATOM 1543 CG MET B 8 68.333 -6.097 4.458 1.00 0.00 C ATOM 1544 SD MET B 8 69.752 -6.328 3.347 1.00 0.00 S ATOM 1545 CE MET B 8 70.483 -4.680 3.507 1.00 0.00 C ATOM 0 H MET B 8 65.364 -5.545 4.944 1.00 0.00 H new ATOM 0 HA MET B 8 66.762 -5.490 2.463 1.00 0.00 H new ATOM 0 HB2 MET B 8 66.624 -7.378 4.844 1.00 0.00 H new ATOM 0 HB3 MET B 8 67.554 -7.845 3.434 1.00 0.00 H new ATOM 0 HG2 MET B 8 68.029 -5.050 4.466 1.00 0.00 H new ATOM 0 HG3 MET B 8 68.610 -6.356 5.480 1.00 0.00 H new ATOM 0 HE1 MET B 8 71.561 -4.744 3.356 1.00 0.00 H new ATOM 0 HE2 MET B 8 70.050 -4.016 2.759 1.00 0.00 H new ATOM 0 HE3 MET B 8 70.279 -4.287 4.503 1.00 0.00 H new ATOM 1555 N GLU B 9 64.430 -7.807 2.677 1.00 0.00 N ATOM 1556 CA GLU B 9 63.673 -8.782 1.839 1.00 0.00 C ATOM 1557 C GLU B 9 62.973 -8.063 0.682 1.00 0.00 C ATOM 1558 O GLU B 9 62.917 -8.558 -0.425 1.00 0.00 O ATOM 1559 CB GLU B 9 62.622 -9.473 2.711 1.00 0.00 C ATOM 1560 CG GLU B 9 63.314 -10.395 3.716 1.00 0.00 C ATOM 1561 CD GLU B 9 62.276 -10.961 4.687 1.00 0.00 C ATOM 1562 OE1 GLU B 9 61.956 -10.277 5.644 1.00 0.00 O ATOM 1563 OE2 GLU B 9 61.815 -12.065 4.452 1.00 0.00 O ATOM 0 H GLU B 9 64.097 -7.707 3.636 1.00 0.00 H new ATOM 0 HA GLU B 9 64.368 -9.515 1.429 1.00 0.00 H new ATOM 0 HB2 GLU B 9 62.025 -8.728 3.237 1.00 0.00 H new ATOM 0 HB3 GLU B 9 61.938 -10.047 2.087 1.00 0.00 H new ATOM 0 HG2 GLU B 9 63.819 -11.207 3.193 1.00 0.00 H new ATOM 0 HG3 GLU B 9 64.079 -9.845 4.264 1.00 0.00 H new ATOM 1570 N THR B 10 62.425 -6.909 0.936 1.00 0.00 N ATOM 1571 CA THR B 10 61.707 -6.164 -0.139 1.00 0.00 C ATOM 1572 C THR B 10 62.685 -5.730 -1.237 1.00 0.00 C ATOM 1573 O THR B 10 62.364 -5.764 -2.406 1.00 0.00 O ATOM 1574 CB THR B 10 61.039 -4.927 0.469 1.00 0.00 C ATOM 1575 OG1 THR B 10 60.116 -5.341 1.468 1.00 0.00 O ATOM 1576 CG2 THR B 10 60.292 -4.149 -0.618 1.00 0.00 C ATOM 0 H THR B 10 62.442 -6.446 1.845 1.00 0.00 H new ATOM 0 HA THR B 10 60.954 -6.816 -0.581 1.00 0.00 H new ATOM 0 HB THR B 10 61.802 -4.284 0.909 1.00 0.00 H new ATOM 0 HG1 THR B 10 59.686 -4.554 1.863 1.00 0.00 H new ATOM 0 HG21 THR B 10 59.820 -3.271 -0.178 1.00 0.00 H new ATOM 0 HG22 THR B 10 60.996 -3.834 -1.389 1.00 0.00 H new ATOM 0 HG23 THR B 10 59.528 -4.787 -1.062 1.00 0.00 H new ATOM 1584 N LEU B 11 63.861 -5.294 -0.875 1.00 0.00 N ATOM 1585 CA LEU B 11 64.828 -4.832 -1.909 1.00 0.00 C ATOM 1586 C LEU B 11 65.154 -5.958 -2.881 1.00 0.00 C ATOM 1587 O LEU B 11 65.278 -5.743 -4.067 1.00 0.00 O ATOM 1588 CB LEU B 11 66.119 -4.368 -1.228 1.00 0.00 C ATOM 1589 CG LEU B 11 65.862 -3.097 -0.405 1.00 0.00 C ATOM 1590 CD1 LEU B 11 67.107 -2.787 0.441 1.00 0.00 C ATOM 1591 CD2 LEU B 11 65.557 -1.907 -1.337 1.00 0.00 C ATOM 0 H LEU B 11 64.192 -5.238 0.088 1.00 0.00 H new ATOM 0 HA LEU B 11 64.378 -4.007 -2.462 1.00 0.00 H new ATOM 0 HB2 LEU B 11 66.500 -5.158 -0.580 1.00 0.00 H new ATOM 0 HB3 LEU B 11 66.885 -4.174 -1.979 1.00 0.00 H new ATOM 0 HG LEU B 11 65.002 -3.258 0.245 1.00 0.00 H new ATOM 0 HD11 LEU B 11 66.932 -1.886 1.028 1.00 0.00 H new ATOM 0 HD12 LEU B 11 67.309 -3.623 1.111 1.00 0.00 H new ATOM 0 HD13 LEU B 11 67.963 -2.632 -0.215 1.00 0.00 H new ATOM 0 HD21 LEU B 11 65.377 -1.013 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU B 11 66.406 -1.736 -1.999 1.00 0.00 H new ATOM 0 HD23 LEU B 11 64.672 -2.129 -1.933 1.00 0.00 H new ATOM 1603 N ILE B 12 65.309 -7.153 -2.401 1.00 0.00 N ATOM 1604 CA ILE B 12 65.640 -8.275 -3.318 1.00 0.00 C ATOM 1605 C ILE B 12 64.491 -8.505 -4.306 1.00 0.00 C ATOM 1606 O ILE B 12 64.704 -8.740 -5.479 1.00 0.00 O ATOM 1607 CB ILE B 12 65.870 -9.537 -2.487 1.00 0.00 C ATOM 1608 CG1 ILE B 12 67.124 -9.345 -1.631 1.00 0.00 C ATOM 1609 CG2 ILE B 12 66.056 -10.742 -3.416 1.00 0.00 C ATOM 1610 CD1 ILE B 12 67.219 -10.469 -0.597 1.00 0.00 C ATOM 0 H ILE B 12 65.222 -7.404 -1.416 1.00 0.00 H new ATOM 0 HA ILE B 12 66.540 -8.033 -3.883 1.00 0.00 H new ATOM 0 HB ILE B 12 65.009 -9.717 -1.844 1.00 0.00 H new ATOM 0 HG12 ILE B 12 68.011 -9.344 -2.264 1.00 0.00 H new ATOM 0 HG13 ILE B 12 67.089 -8.378 -1.129 1.00 0.00 H new ATOM 0 HG21 ILE B 12 66.220 -11.639 -2.819 1.00 0.00 H new ATOM 0 HG22 ILE B 12 65.163 -10.871 -4.028 1.00 0.00 H new ATOM 0 HG23 ILE B 12 66.918 -10.574 -4.062 1.00 0.00 H new ATOM 0 HD11 ILE B 12 68.113 -10.330 0.011 1.00 0.00 H new ATOM 0 HD12 ILE B 12 66.338 -10.449 0.044 1.00 0.00 H new ATOM 0 HD13 ILE B 12 67.274 -11.430 -1.108 1.00 0.00 H new ATOM 1622 N ASN B 13 63.277 -8.460 -3.833 1.00 0.00 N ATOM 1623 CA ASN B 13 62.106 -8.696 -4.726 1.00 0.00 C ATOM 1624 C ASN B 13 62.045 -7.654 -5.855 1.00 0.00 C ATOM 1625 O ASN B 13 61.725 -7.971 -6.983 1.00 0.00 O ATOM 1626 CB ASN B 13 60.825 -8.615 -3.889 1.00 0.00 C ATOM 1627 CG ASN B 13 59.607 -8.915 -4.765 1.00 0.00 C ATOM 1628 OD1 ASN B 13 59.744 -9.237 -5.929 1.00 0.00 O ATOM 1629 ND2 ASN B 13 58.410 -8.826 -4.250 1.00 0.00 N ATOM 0 H ASN B 13 63.043 -8.268 -2.859 1.00 0.00 H new ATOM 0 HA ASN B 13 62.206 -9.681 -5.181 1.00 0.00 H new ATOM 0 HB2 ASN B 13 60.874 -9.326 -3.064 1.00 0.00 H new ATOM 0 HB3 ASN B 13 60.731 -7.622 -3.449 1.00 0.00 H new ATOM 0 HD21 ASN B 13 57.591 -9.027 -4.825 1.00 0.00 H new ATOM 0 HD22 ASN B 13 58.294 -8.556 -3.273 1.00 0.00 H new ATOM 1636 N VAL B 14 62.315 -6.411 -5.565 1.00 0.00 N ATOM 1637 CA VAL B 14 62.230 -5.373 -6.635 1.00 0.00 C ATOM 1638 C VAL B 14 63.392 -5.503 -7.631 1.00 0.00 C ATOM 1639 O VAL B 14 63.217 -5.337 -8.826 1.00 0.00 O ATOM 1640 CB VAL B 14 62.229 -3.981 -6.012 1.00 0.00 C ATOM 1641 CG1 VAL B 14 61.994 -2.938 -7.110 1.00 0.00 C ATOM 1642 CG2 VAL B 14 61.108 -3.891 -4.973 1.00 0.00 C ATOM 0 H VAL B 14 62.588 -6.070 -4.643 1.00 0.00 H new ATOM 0 HA VAL B 14 61.299 -5.525 -7.181 1.00 0.00 H new ATOM 0 HB VAL B 14 63.188 -3.793 -5.528 1.00 0.00 H new ATOM 0 HG11 VAL B 14 61.992 -1.941 -6.670 1.00 0.00 H new ATOM 0 HG12 VAL B 14 62.789 -3.006 -7.852 1.00 0.00 H new ATOM 0 HG13 VAL B 14 61.033 -3.125 -7.590 1.00 0.00 H new ATOM 0 HG21 VAL B 14 61.105 -2.897 -4.526 1.00 0.00 H new ATOM 0 HG22 VAL B 14 60.148 -4.074 -5.456 1.00 0.00 H new ATOM 0 HG23 VAL B 14 61.271 -4.638 -4.196 1.00 0.00 H new ATOM 1652 N PHE B 15 64.576 -5.795 -7.162 1.00 0.00 N ATOM 1653 CA PHE B 15 65.730 -5.928 -8.102 1.00 0.00 C ATOM 1654 C PHE B 15 65.334 -6.956 -9.146 1.00 0.00 C ATOM 1655 O PHE B 15 65.634 -6.835 -10.316 1.00 0.00 O ATOM 1656 CB PHE B 15 66.973 -6.430 -7.353 1.00 0.00 C ATOM 1657 CG PHE B 15 67.405 -5.488 -6.234 1.00 0.00 C ATOM 1658 CD1 PHE B 15 66.751 -4.261 -5.977 1.00 0.00 C ATOM 1659 CD2 PHE B 15 68.491 -5.868 -5.433 1.00 0.00 C ATOM 1660 CE1 PHE B 15 67.190 -3.442 -4.932 1.00 0.00 C ATOM 1661 CE2 PHE B 15 68.924 -5.043 -4.390 1.00 0.00 C ATOM 1662 CZ PHE B 15 68.274 -3.832 -4.140 1.00 0.00 C ATOM 0 H PHE B 15 64.794 -5.946 -6.177 1.00 0.00 H new ATOM 0 HA PHE B 15 65.966 -4.964 -8.554 1.00 0.00 H new ATOM 0 HB2 PHE B 15 66.767 -7.415 -6.934 1.00 0.00 H new ATOM 0 HB3 PHE B 15 67.794 -6.550 -8.059 1.00 0.00 H new ATOM 0 HD1 PHE B 15 65.913 -3.957 -6.587 1.00 0.00 H new ATOM 0 HD2 PHE B 15 68.996 -6.803 -5.623 1.00 0.00 H new ATOM 0 HE1 PHE B 15 66.690 -2.505 -4.736 1.00 0.00 H new ATOM 0 HE2 PHE B 15 69.762 -5.342 -3.777 1.00 0.00 H new ATOM 0 HZ PHE B 15 68.609 -3.196 -3.334 1.00 0.00 H new ATOM 1672 N HIS B 16 64.631 -7.957 -8.716 1.00 0.00 N ATOM 1673 CA HIS B 16 64.160 -9.007 -9.646 1.00 0.00 C ATOM 1674 C HIS B 16 63.280 -8.358 -10.714 1.00 0.00 C ATOM 1675 O HIS B 16 63.206 -8.817 -11.832 1.00 0.00 O ATOM 1676 CB HIS B 16 63.334 -10.020 -8.857 1.00 0.00 C ATOM 1677 CG HIS B 16 62.996 -11.198 -9.729 1.00 0.00 C ATOM 1678 ND1 HIS B 16 63.972 -11.986 -10.322 1.00 0.00 N ATOM 1679 CD2 HIS B 16 61.792 -11.740 -10.112 1.00 0.00 C ATOM 1680 CE1 HIS B 16 63.345 -12.949 -11.024 1.00 0.00 C ATOM 1681 NE2 HIS B 16 62.019 -12.843 -10.926 1.00 0.00 N ATOM 0 H HIS B 16 64.359 -8.094 -7.743 1.00 0.00 H new ATOM 0 HA HIS B 16 65.006 -9.506 -10.119 1.00 0.00 H new ATOM 0 HB2 HIS B 16 63.891 -10.353 -7.981 1.00 0.00 H new ATOM 0 HB3 HIS B 16 62.419 -9.552 -8.493 1.00 0.00 H new ATOM 0 HD2 HIS B 16 60.820 -11.366 -9.825 1.00 0.00 H new ATOM 0 HE1 HIS B 16 63.853 -13.712 -11.595 1.00 0.00 H new ATOM 0 HE2 HIS B 16 61.318 -13.445 -11.358 1.00 0.00 H new ATOM 1690 N ALA B 17 62.595 -7.301 -10.372 1.00 0.00 N ATOM 1691 CA ALA B 17 61.707 -6.642 -11.372 1.00 0.00 C ATOM 1692 C ALA B 17 62.517 -6.199 -12.599 1.00 0.00 C ATOM 1693 O ALA B 17 62.200 -6.561 -13.715 1.00 0.00 O ATOM 1694 CB ALA B 17 61.053 -5.417 -10.730 1.00 0.00 C ATOM 0 H ALA B 17 62.611 -6.867 -9.449 1.00 0.00 H new ATOM 0 HA ALA B 17 60.944 -7.352 -11.692 1.00 0.00 H new ATOM 0 HB1 ALA B 17 60.402 -4.930 -11.456 1.00 0.00 H new ATOM 0 HB2 ALA B 17 60.465 -5.729 -9.867 1.00 0.00 H new ATOM 0 HB3 ALA B 17 61.826 -4.718 -10.409 1.00 0.00 H new ATOM 1700 N HIS B 18 63.550 -5.417 -12.418 1.00 0.00 N ATOM 1701 CA HIS B 18 64.349 -4.965 -13.609 1.00 0.00 C ATOM 1702 C HIS B 18 65.233 -6.104 -14.137 1.00 0.00 C ATOM 1703 O HIS B 18 65.415 -6.253 -15.329 1.00 0.00 O ATOM 1704 CB HIS B 18 65.234 -3.767 -13.241 1.00 0.00 C ATOM 1705 CG HIS B 18 64.357 -2.611 -12.851 1.00 0.00 C ATOM 1706 ND1 HIS B 18 63.784 -1.768 -13.793 1.00 0.00 N ATOM 1707 CD2 HIS B 18 63.933 -2.151 -11.629 1.00 0.00 C ATOM 1708 CE1 HIS B 18 63.054 -0.853 -13.129 1.00 0.00 C ATOM 1709 NE2 HIS B 18 63.112 -1.043 -11.810 1.00 0.00 N ATOM 0 H HIS B 18 63.875 -5.073 -11.514 1.00 0.00 H new ATOM 0 HA HIS B 18 63.646 -4.669 -14.388 1.00 0.00 H new ATOM 0 HB2 HIS B 18 65.899 -4.029 -12.418 1.00 0.00 H new ATOM 0 HB3 HIS B 18 65.865 -3.492 -14.086 1.00 0.00 H new ATOM 0 HD2 HIS B 18 64.196 -2.583 -10.675 1.00 0.00 H new ATOM 0 HE1 HIS B 18 62.491 -0.063 -13.605 1.00 0.00 H new ATOM 0 HE2 HIS B 18 62.651 -0.492 -11.086 1.00 0.00 H new ATOM 1718 N SER B 19 65.810 -6.892 -13.264 1.00 0.00 N ATOM 1719 CA SER B 19 66.710 -8.002 -13.720 1.00 0.00 C ATOM 1720 C SER B 19 65.947 -9.325 -13.780 1.00 0.00 C ATOM 1721 O SER B 19 66.537 -10.382 -13.890 1.00 0.00 O ATOM 1722 CB SER B 19 67.861 -8.151 -12.730 1.00 0.00 C ATOM 1723 OG SER B 19 68.683 -6.995 -12.790 1.00 0.00 O ATOM 0 H SER B 19 65.698 -6.816 -12.253 1.00 0.00 H new ATOM 0 HA SER B 19 67.085 -7.759 -14.714 1.00 0.00 H new ATOM 0 HB2 SER B 19 67.473 -8.283 -11.720 1.00 0.00 H new ATOM 0 HB3 SER B 19 68.446 -9.040 -12.966 1.00 0.00 H new ATOM 0 HG SER B 19 69.597 -7.255 -13.030 1.00 0.00 H new ATOM 1729 N GLY B 20 64.652 -9.289 -13.694 1.00 0.00 N ATOM 1730 CA GLY B 20 63.875 -10.560 -13.728 1.00 0.00 C ATOM 1731 C GLY B 20 64.002 -11.241 -15.093 1.00 0.00 C ATOM 1732 O GLY B 20 63.130 -11.980 -15.506 1.00 0.00 O ATOM 0 H GLY B 20 64.096 -8.439 -13.602 1.00 0.00 H new ATOM 0 HA2 GLY B 20 64.233 -11.231 -12.947 1.00 0.00 H new ATOM 0 HA3 GLY B 20 62.826 -10.355 -13.515 1.00 0.00 H new ATOM 1792 N LYS B 25 70.358 -12.600 -12.763 1.00 0.00 N ATOM 1793 CA LYS B 25 69.549 -11.982 -11.674 1.00 0.00 C ATOM 1794 C LYS B 25 70.255 -10.725 -11.170 1.00 0.00 C ATOM 1795 O LYS B 25 69.624 -9.796 -10.705 1.00 0.00 O ATOM 1796 CB LYS B 25 69.382 -12.976 -10.524 1.00 0.00 C ATOM 1797 CG LYS B 25 68.457 -14.115 -10.961 1.00 0.00 C ATOM 1798 CD LYS B 25 68.226 -15.077 -9.788 1.00 0.00 C ATOM 1799 CE LYS B 25 69.491 -15.900 -9.509 1.00 0.00 C ATOM 1800 NZ LYS B 25 69.125 -17.101 -8.704 1.00 0.00 N ATOM 0 HA LYS B 25 68.565 -11.717 -12.060 1.00 0.00 H new ATOM 0 HB2 LYS B 25 70.353 -13.375 -10.230 1.00 0.00 H new ATOM 0 HB3 LYS B 25 68.967 -12.472 -9.651 1.00 0.00 H new ATOM 0 HG2 LYS B 25 67.505 -13.711 -11.305 1.00 0.00 H new ATOM 0 HG3 LYS B 25 68.898 -14.651 -11.802 1.00 0.00 H new ATOM 0 HD2 LYS B 25 67.948 -14.513 -8.897 1.00 0.00 H new ATOM 0 HD3 LYS B 25 67.394 -15.744 -10.016 1.00 0.00 H new ATOM 0 HE2 LYS B 25 69.956 -16.204 -10.447 1.00 0.00 H new ATOM 0 HE3 LYS B 25 70.222 -15.296 -8.972 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 69.979 -17.663 -8.512 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 68.699 -16.799 -7.805 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 68.442 -17.679 -9.234 1.00 0.00 H new ATOM 1814 N TYR B 26 71.559 -10.678 -11.260 1.00 0.00 N ATOM 1815 CA TYR B 26 72.290 -9.466 -10.786 1.00 0.00 C ATOM 1816 C TYR B 26 71.622 -8.235 -11.399 1.00 0.00 C ATOM 1817 O TYR B 26 70.768 -8.354 -12.255 1.00 0.00 O ATOM 1818 CB TYR B 26 73.762 -9.539 -11.221 1.00 0.00 C ATOM 1819 CG TYR B 26 74.235 -10.976 -11.217 1.00 0.00 C ATOM 1820 CD1 TYR B 26 73.780 -11.876 -10.241 1.00 0.00 C ATOM 1821 CD2 TYR B 26 75.134 -11.409 -12.200 1.00 0.00 C ATOM 1822 CE1 TYR B 26 74.226 -13.203 -10.253 1.00 0.00 C ATOM 1823 CE2 TYR B 26 75.578 -12.735 -12.210 1.00 0.00 C ATOM 1824 CZ TYR B 26 75.124 -13.632 -11.237 1.00 0.00 C ATOM 1825 OH TYR B 26 75.561 -14.939 -11.247 1.00 0.00 O ATOM 0 H TYR B 26 72.146 -11.421 -11.639 1.00 0.00 H new ATOM 0 HA TYR B 26 72.256 -9.407 -9.698 1.00 0.00 H new ATOM 0 HB2 TYR B 26 73.876 -9.113 -12.218 1.00 0.00 H new ATOM 0 HB3 TYR B 26 74.378 -8.943 -10.548 1.00 0.00 H new ATOM 0 HD1 TYR B 26 73.087 -11.545 -9.482 1.00 0.00 H new ATOM 0 HD2 TYR B 26 75.485 -10.717 -12.952 1.00 0.00 H new ATOM 0 HE1 TYR B 26 73.877 -13.896 -9.502 1.00 0.00 H new ATOM 0 HE2 TYR B 26 76.271 -13.067 -12.969 1.00 0.00 H new ATOM 0 HH TYR B 26 76.179 -15.072 -11.996 1.00 0.00 H new ATOM 1835 N LYS B 27 71.973 -7.059 -10.968 1.00 0.00 N ATOM 1836 CA LYS B 27 71.307 -5.869 -11.546 1.00 0.00 C ATOM 1837 C LYS B 27 71.537 -5.862 -13.065 1.00 0.00 C ATOM 1838 O LYS B 27 70.767 -6.443 -13.798 1.00 0.00 O ATOM 1839 CB LYS B 27 71.834 -4.582 -10.885 1.00 0.00 C ATOM 1840 CG LYS B 27 70.928 -3.375 -11.218 1.00 0.00 C ATOM 1841 CD LYS B 27 69.703 -3.339 -10.293 1.00 0.00 C ATOM 1842 CE LYS B 27 68.736 -2.264 -10.791 1.00 0.00 C ATOM 1843 NZ LYS B 27 67.675 -2.041 -9.770 1.00 0.00 N ATOM 0 H LYS B 27 72.678 -6.874 -10.255 1.00 0.00 H new ATOM 0 HA LYS B 27 70.235 -5.911 -11.353 1.00 0.00 H new ATOM 0 HB2 LYS B 27 71.882 -4.718 -9.805 1.00 0.00 H new ATOM 0 HB3 LYS B 27 72.850 -4.384 -11.227 1.00 0.00 H new ATOM 0 HG2 LYS B 27 71.495 -2.450 -11.114 1.00 0.00 H new ATOM 0 HG3 LYS B 27 70.603 -3.435 -12.257 1.00 0.00 H new ATOM 0 HD2 LYS B 27 69.211 -4.312 -10.281 1.00 0.00 H new ATOM 0 HD3 LYS B 27 70.010 -3.125 -9.269 1.00 0.00 H new ATOM 0 HE2 LYS B 27 69.274 -1.335 -10.981 1.00 0.00 H new ATOM 0 HE3 LYS B 27 68.288 -2.572 -11.736 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 67.007 -1.322 -10.115 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 67.167 -2.932 -9.597 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 68.109 -1.713 -8.884 1.00 0.00 H new ATOM 1857 N LEU B 28 72.590 -5.245 -13.547 1.00 0.00 N ATOM 1858 CA LEU B 28 72.838 -5.241 -15.038 1.00 0.00 C ATOM 1859 C LEU B 28 74.053 -4.361 -15.400 1.00 0.00 C ATOM 1860 O LEU B 28 74.716 -3.818 -14.549 1.00 0.00 O ATOM 1861 CB LEU B 28 71.593 -4.730 -15.799 1.00 0.00 C ATOM 1862 CG LEU B 28 70.949 -3.503 -15.076 1.00 0.00 C ATOM 1863 CD1 LEU B 28 70.963 -2.284 -15.988 1.00 0.00 C ATOM 1864 CD2 LEU B 28 69.486 -3.799 -14.693 1.00 0.00 C ATOM 0 H LEU B 28 73.284 -4.749 -12.988 1.00 0.00 H new ATOM 0 HA LEU B 28 73.046 -6.269 -15.335 1.00 0.00 H new ATOM 0 HB2 LEU B 28 71.874 -4.450 -16.814 1.00 0.00 H new ATOM 0 HB3 LEU B 28 70.860 -5.532 -15.881 1.00 0.00 H new ATOM 0 HG LEU B 28 71.533 -3.308 -14.177 1.00 0.00 H new ATOM 0 HD11 LEU B 28 70.511 -1.437 -15.471 1.00 0.00 H new ATOM 0 HD12 LEU B 28 71.992 -2.040 -16.254 1.00 0.00 H new ATOM 0 HD13 LEU B 28 70.396 -2.500 -16.893 1.00 0.00 H new ATOM 0 HD21 LEU B 28 69.059 -2.931 -14.191 1.00 0.00 H new ATOM 0 HD22 LEU B 28 68.911 -4.017 -15.593 1.00 0.00 H new ATOM 0 HD23 LEU B 28 69.452 -4.658 -14.023 1.00 0.00 H new ATOM 1876 N SER B 29 74.348 -4.229 -16.674 1.00 0.00 N ATOM 1877 CA SER B 29 75.522 -3.398 -17.099 1.00 0.00 C ATOM 1878 C SER B 29 75.449 -2.015 -16.442 1.00 0.00 C ATOM 1879 O SER B 29 74.381 -1.517 -16.146 1.00 0.00 O ATOM 1880 CB SER B 29 75.518 -3.239 -18.621 1.00 0.00 C ATOM 1881 OG SER B 29 74.327 -2.576 -19.024 1.00 0.00 O ATOM 0 H SER B 29 73.827 -4.661 -17.437 1.00 0.00 H new ATOM 0 HA SER B 29 76.440 -3.896 -16.788 1.00 0.00 H new ATOM 0 HB2 SER B 29 76.390 -2.669 -18.940 1.00 0.00 H new ATOM 0 HB3 SER B 29 75.583 -4.216 -19.100 1.00 0.00 H new ATOM 0 HG SER B 29 74.324 -2.472 -19.998 1.00 0.00 H new ATOM 1887 N LYS B 30 76.579 -1.402 -16.178 1.00 0.00 N ATOM 1888 CA LYS B 30 76.556 -0.069 -15.505 1.00 0.00 C ATOM 1889 C LYS B 30 75.839 1.000 -16.350 1.00 0.00 C ATOM 1890 O LYS B 30 75.013 1.716 -15.845 1.00 0.00 O ATOM 1891 CB LYS B 30 77.995 0.401 -15.170 1.00 0.00 C ATOM 1892 CG LYS B 30 78.556 -0.418 -13.987 1.00 0.00 C ATOM 1893 CD LYS B 30 79.655 0.367 -13.257 1.00 0.00 C ATOM 1894 CE LYS B 30 80.886 0.487 -14.152 1.00 0.00 C ATOM 1895 NZ LYS B 30 81.373 -0.878 -14.500 1.00 0.00 N ATOM 0 H LYS B 30 77.507 -1.765 -16.398 1.00 0.00 H new ATOM 0 HA LYS B 30 75.992 -0.193 -14.580 1.00 0.00 H new ATOM 0 HB2 LYS B 30 78.638 0.282 -16.042 1.00 0.00 H new ATOM 0 HB3 LYS B 30 77.991 1.462 -14.919 1.00 0.00 H new ATOM 0 HG2 LYS B 30 77.752 -0.660 -13.292 1.00 0.00 H new ATOM 0 HG3 LYS B 30 78.958 -1.364 -14.351 1.00 0.00 H new ATOM 0 HD2 LYS B 30 79.290 1.359 -12.990 1.00 0.00 H new ATOM 0 HD3 LYS B 30 79.918 -0.137 -12.327 1.00 0.00 H new ATOM 0 HE2 LYS B 30 80.639 1.040 -15.058 1.00 0.00 H new ATOM 0 HE3 LYS B 30 81.669 1.046 -13.640 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 82.322 -1.020 -14.100 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 80.722 -1.589 -14.109 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 81.414 -0.979 -15.534 1.00 0.00 H new ATOM 1909 N LYS B 31 76.145 1.153 -17.606 1.00 0.00 N ATOM 1910 CA LYS B 31 75.468 2.243 -18.396 1.00 0.00 C ATOM 1911 C LYS B 31 73.939 2.153 -18.273 1.00 0.00 C ATOM 1912 O LYS B 31 73.261 3.140 -18.034 1.00 0.00 O ATOM 1913 CB LYS B 31 75.888 2.135 -19.880 1.00 0.00 C ATOM 1914 CG LYS B 31 77.133 3.003 -20.148 1.00 0.00 C ATOM 1915 CD LYS B 31 76.713 4.446 -20.451 1.00 0.00 C ATOM 1916 CE LYS B 31 77.952 5.281 -20.778 1.00 0.00 C ATOM 1917 NZ LYS B 31 78.847 5.327 -19.588 1.00 0.00 N ATOM 0 H LYS B 31 76.820 0.588 -18.121 1.00 0.00 H new ATOM 0 HA LYS B 31 75.778 3.207 -17.994 1.00 0.00 H new ATOM 0 HB2 LYS B 31 76.100 1.096 -20.130 1.00 0.00 H new ATOM 0 HB3 LYS B 31 75.067 2.456 -20.522 1.00 0.00 H new ATOM 0 HG2 LYS B 31 77.794 2.983 -19.281 1.00 0.00 H new ATOM 0 HG3 LYS B 31 77.696 2.596 -20.988 1.00 0.00 H new ATOM 0 HD2 LYS B 31 76.017 4.465 -21.290 1.00 0.00 H new ATOM 0 HD3 LYS B 31 76.191 4.871 -19.594 1.00 0.00 H new ATOM 0 HE2 LYS B 31 78.481 4.849 -21.628 1.00 0.00 H new ATOM 0 HE3 LYS B 31 77.658 6.291 -21.065 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 79.483 6.147 -19.663 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 78.273 5.412 -18.725 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 79.411 4.454 -19.544 1.00 0.00 H new ATOM 1931 N GLU B 32 73.395 0.994 -18.430 1.00 0.00 N ATOM 1932 CA GLU B 32 71.910 0.855 -18.322 1.00 0.00 C ATOM 1933 C GLU B 32 71.481 1.106 -16.873 1.00 0.00 C ATOM 1934 O GLU B 32 70.465 1.718 -16.618 1.00 0.00 O ATOM 1935 CB GLU B 32 71.474 -0.537 -18.793 1.00 0.00 C ATOM 1936 CG GLU B 32 69.948 -0.703 -18.628 1.00 0.00 C ATOM 1937 CD GLU B 32 69.224 0.314 -19.512 1.00 0.00 C ATOM 1938 OE1 GLU B 32 69.826 0.780 -20.464 1.00 0.00 O ATOM 1939 OE2 GLU B 32 68.077 0.612 -19.219 1.00 0.00 O ATOM 0 H GLU B 32 73.902 0.131 -18.628 1.00 0.00 H new ATOM 0 HA GLU B 32 71.425 1.592 -18.963 1.00 0.00 H new ATOM 0 HB2 GLU B 32 71.752 -0.679 -19.837 1.00 0.00 H new ATOM 0 HB3 GLU B 32 71.995 -1.303 -18.218 1.00 0.00 H new ATOM 0 HG2 GLU B 32 69.650 -1.715 -18.902 1.00 0.00 H new ATOM 0 HG3 GLU B 32 69.667 -0.559 -17.585 1.00 0.00 H new ATOM 1946 N LEU B 33 72.247 0.635 -15.928 1.00 0.00 N ATOM 1947 CA LEU B 33 71.898 0.833 -14.498 1.00 0.00 C ATOM 1948 C LEU B 33 71.684 2.322 -14.203 1.00 0.00 C ATOM 1949 O LEU B 33 70.742 2.683 -13.542 1.00 0.00 O ATOM 1950 CB LEU B 33 73.063 0.272 -13.660 1.00 0.00 C ATOM 1951 CG LEU B 33 72.965 0.642 -12.162 1.00 0.00 C ATOM 1952 CD1 LEU B 33 73.352 2.120 -11.912 1.00 0.00 C ATOM 1953 CD2 LEU B 33 71.550 0.353 -11.631 1.00 0.00 C ATOM 0 H LEU B 33 73.110 0.116 -16.090 1.00 0.00 H new ATOM 0 HA LEU B 33 70.970 0.317 -14.251 1.00 0.00 H new ATOM 0 HB2 LEU B 33 73.085 -0.813 -13.759 1.00 0.00 H new ATOM 0 HB3 LEU B 33 74.005 0.648 -14.060 1.00 0.00 H new ATOM 0 HG LEU B 33 73.678 0.022 -11.618 1.00 0.00 H new ATOM 0 HD11 LEU B 33 73.271 2.342 -10.848 1.00 0.00 H new ATOM 0 HD12 LEU B 33 74.378 2.288 -12.241 1.00 0.00 H new ATOM 0 HD13 LEU B 33 72.680 2.772 -12.471 1.00 0.00 H new ATOM 0 HD21 LEU B 33 71.496 0.618 -10.575 1.00 0.00 H new ATOM 0 HD22 LEU B 33 70.824 0.943 -12.191 1.00 0.00 H new ATOM 0 HD23 LEU B 33 71.326 -0.707 -11.750 1.00 0.00 H new ATOM 1965 N LYS B 34 72.522 3.200 -14.677 1.00 0.00 N ATOM 1966 CA LYS B 34 72.288 4.646 -14.363 1.00 0.00 C ATOM 1967 C LYS B 34 70.930 5.068 -14.905 1.00 0.00 C ATOM 1968 O LYS B 34 70.157 5.707 -14.231 1.00 0.00 O ATOM 1969 CB LYS B 34 73.378 5.516 -14.983 1.00 0.00 C ATOM 1970 CG LYS B 34 73.001 7.013 -14.854 1.00 0.00 C ATOM 1971 CD LYS B 34 74.248 7.844 -14.519 1.00 0.00 C ATOM 1972 CE LYS B 34 74.520 7.781 -13.001 1.00 0.00 C ATOM 1973 NZ LYS B 34 73.349 8.330 -12.262 1.00 0.00 N ATOM 0 H LYS B 34 73.338 2.993 -15.253 1.00 0.00 H new ATOM 0 HA LYS B 34 72.312 4.777 -13.281 1.00 0.00 H new ATOM 0 HB2 LYS B 34 74.330 5.329 -14.487 1.00 0.00 H new ATOM 0 HB3 LYS B 34 73.509 5.255 -16.033 1.00 0.00 H new ATOM 0 HG2 LYS B 34 72.558 7.366 -15.785 1.00 0.00 H new ATOM 0 HG3 LYS B 34 72.249 7.141 -14.075 1.00 0.00 H new ATOM 0 HD2 LYS B 34 75.109 7.464 -15.069 1.00 0.00 H new ATOM 0 HD3 LYS B 34 74.102 8.879 -14.830 1.00 0.00 H new ATOM 0 HE2 LYS B 34 74.705 6.751 -12.697 1.00 0.00 H new ATOM 0 HE3 LYS B 34 75.417 8.351 -12.758 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 73.669 8.743 -11.363 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 72.890 9.065 -12.836 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 72.670 7.566 -12.070 1.00 0.00 H new ATOM 1987 N ASP B 35 70.622 4.706 -16.106 1.00 0.00 N ATOM 1988 CA ASP B 35 69.300 5.096 -16.661 1.00 0.00 C ATOM 1989 C ASP B 35 68.197 4.461 -15.811 1.00 0.00 C ATOM 1990 O ASP B 35 67.070 4.901 -15.817 1.00 0.00 O ATOM 1991 CB ASP B 35 69.188 4.598 -18.099 1.00 0.00 C ATOM 1992 CG ASP B 35 70.133 5.407 -18.990 1.00 0.00 C ATOM 1993 OD1 ASP B 35 70.484 6.509 -18.602 1.00 0.00 O ATOM 1994 OD2 ASP B 35 70.492 4.908 -20.044 1.00 0.00 O ATOM 0 H ASP B 35 71.219 4.161 -16.728 1.00 0.00 H new ATOM 0 HA ASP B 35 69.197 6.181 -16.646 1.00 0.00 H new ATOM 0 HB2 ASP B 35 69.440 3.539 -18.150 1.00 0.00 H new ATOM 0 HB3 ASP B 35 68.162 4.699 -18.452 1.00 0.00 H new ATOM 1999 N LEU B 36 68.523 3.410 -15.111 1.00 0.00 N ATOM 2000 CA LEU B 36 67.523 2.689 -14.264 1.00 0.00 C ATOM 2001 C LEU B 36 67.180 3.497 -12.995 1.00 0.00 C ATOM 2002 O LEU B 36 66.031 3.733 -12.681 1.00 0.00 O ATOM 2003 CB LEU B 36 68.151 1.338 -13.860 1.00 0.00 C ATOM 2004 CG LEU B 36 67.074 0.277 -13.556 1.00 0.00 C ATOM 2005 CD1 LEU B 36 66.039 0.833 -12.571 1.00 0.00 C ATOM 2006 CD2 LEU B 36 66.371 -0.171 -14.852 1.00 0.00 C ATOM 0 H LEU B 36 69.461 3.010 -15.088 1.00 0.00 H new ATOM 0 HA LEU B 36 66.599 2.548 -14.825 1.00 0.00 H new ATOM 0 HB2 LEU B 36 68.796 0.982 -14.663 1.00 0.00 H new ATOM 0 HB3 LEU B 36 68.782 1.478 -12.982 1.00 0.00 H new ATOM 0 HG LEU B 36 67.566 -0.586 -13.107 1.00 0.00 H new ATOM 0 HD11 LEU B 36 65.286 0.072 -12.367 1.00 0.00 H new ATOM 0 HD12 LEU B 36 66.535 1.112 -11.641 1.00 0.00 H new ATOM 0 HD13 LEU B 36 65.560 1.711 -13.004 1.00 0.00 H new ATOM 0 HD21 LEU B 36 65.615 -0.920 -14.616 1.00 0.00 H new ATOM 0 HD22 LEU B 36 65.895 0.689 -15.324 1.00 0.00 H new ATOM 0 HD23 LEU B 36 67.105 -0.599 -15.535 1.00 0.00 H new ATOM 2018 N LEU B 37 68.173 3.861 -12.234 1.00 0.00 N ATOM 2019 CA LEU B 37 67.922 4.587 -10.948 1.00 0.00 C ATOM 2020 C LEU B 37 67.381 5.993 -11.161 1.00 0.00 C ATOM 2021 O LEU B 37 66.437 6.408 -10.520 1.00 0.00 O ATOM 2022 CB LEU B 37 69.236 4.712 -10.156 1.00 0.00 C ATOM 2023 CG LEU B 37 70.075 3.451 -10.312 1.00 0.00 C ATOM 2024 CD1 LEU B 37 71.389 3.621 -9.536 1.00 0.00 C ATOM 2025 CD2 LEU B 37 69.294 2.218 -9.808 1.00 0.00 C ATOM 0 H LEU B 37 69.156 3.688 -12.445 1.00 0.00 H new ATOM 0 HA LEU B 37 67.177 4.004 -10.406 1.00 0.00 H new ATOM 0 HB2 LEU B 37 69.799 5.576 -10.508 1.00 0.00 H new ATOM 0 HB3 LEU B 37 69.017 4.882 -9.102 1.00 0.00 H new ATOM 0 HG LEU B 37 70.302 3.293 -11.366 1.00 0.00 H new ATOM 0 HD11 LEU B 37 71.994 2.721 -9.644 1.00 0.00 H new ATOM 0 HD12 LEU B 37 71.937 4.476 -9.931 1.00 0.00 H new ATOM 0 HD13 LEU B 37 71.170 3.787 -8.481 1.00 0.00 H new ATOM 0 HD21 LEU B 37 69.908 1.325 -9.927 1.00 0.00 H new ATOM 0 HD22 LEU B 37 69.045 2.350 -8.755 1.00 0.00 H new ATOM 0 HD23 LEU B 37 68.377 2.107 -10.386 1.00 0.00 H new ATOM 2037 N GLN B 38 67.997 6.743 -12.006 1.00 0.00 N ATOM 2038 CA GLN B 38 67.540 8.140 -12.195 1.00 0.00 C ATOM 2039 C GLN B 38 66.129 8.107 -12.727 1.00 0.00 C ATOM 2040 O GLN B 38 65.371 9.051 -12.627 1.00 0.00 O ATOM 2041 CB GLN B 38 68.412 8.834 -13.233 1.00 0.00 C ATOM 2042 CG GLN B 38 69.858 8.612 -12.868 1.00 0.00 C ATOM 2043 CD GLN B 38 70.754 9.374 -13.845 1.00 0.00 C ATOM 2044 OE1 GLN B 38 71.418 10.415 -13.426 1.00 0.00 O flip ATOM 2045 NE2 GLN B 38 70.845 9.021 -15.004 1.00 0.00 N flip ATOM 0 H GLN B 38 68.794 6.458 -12.575 1.00 0.00 H new ATOM 0 HA GLN B 38 67.597 8.673 -11.246 1.00 0.00 H new ATOM 0 HB2 GLN B 38 68.207 8.436 -14.227 1.00 0.00 H new ATOM 0 HB3 GLN B 38 68.188 9.900 -13.264 1.00 0.00 H new ATOM 0 HG2 GLN B 38 70.043 8.951 -11.849 1.00 0.00 H new ATOM 0 HG3 GLN B 38 70.092 7.548 -12.898 1.00 0.00 H new ATOM 0 HE21 GLN B 38 70.325 8.207 -15.331 1.00 0.00 H new ATOM 0 HE22 GLN B 38 71.441 9.539 -15.650 1.00 0.00 H new ATOM 2054 N THR B 39 65.804 7.018 -13.326 1.00 0.00 N ATOM 2055 CA THR B 39 64.470 6.863 -13.929 1.00 0.00 C ATOM 2056 C THR B 39 63.439 6.619 -12.830 1.00 0.00 C ATOM 2057 O THR B 39 62.344 7.143 -12.860 1.00 0.00 O ATOM 2058 CB THR B 39 64.566 5.675 -14.884 1.00 0.00 C ATOM 2059 OG1 THR B 39 65.049 6.124 -16.142 1.00 0.00 O ATOM 2060 CG2 THR B 39 63.211 4.996 -15.069 1.00 0.00 C ATOM 0 H THR B 39 66.417 6.209 -13.427 1.00 0.00 H new ATOM 0 HA THR B 39 64.155 7.756 -14.470 1.00 0.00 H new ATOM 0 HB THR B 39 65.252 4.945 -14.455 1.00 0.00 H new ATOM 0 HG1 THR B 39 66.011 5.946 -16.206 1.00 0.00 H new ATOM 0 HG21 THR B 39 63.316 4.155 -15.755 1.00 0.00 H new ATOM 0 HG22 THR B 39 62.850 4.636 -14.106 1.00 0.00 H new ATOM 0 HG23 THR B 39 62.498 5.712 -15.479 1.00 0.00 H new ATOM 2068 N GLU B 40 63.783 5.815 -11.866 1.00 0.00 N ATOM 2069 CA GLU B 40 62.827 5.512 -10.763 1.00 0.00 C ATOM 2070 C GLU B 40 63.075 6.468 -9.590 1.00 0.00 C ATOM 2071 O GLU B 40 62.377 6.441 -8.596 1.00 0.00 O ATOM 2072 CB GLU B 40 63.025 4.056 -10.331 1.00 0.00 C ATOM 2073 CG GLU B 40 61.843 3.595 -9.468 1.00 0.00 C ATOM 2074 CD GLU B 40 61.781 2.063 -9.432 1.00 0.00 C ATOM 2075 OE1 GLU B 40 62.454 1.438 -10.233 1.00 0.00 O ATOM 2076 OE2 GLU B 40 61.047 1.542 -8.607 1.00 0.00 O ATOM 0 H GLU B 40 64.689 5.352 -11.792 1.00 0.00 H new ATOM 0 HA GLU B 40 61.800 5.649 -11.101 1.00 0.00 H new ATOM 0 HB2 GLU B 40 63.114 3.417 -11.210 1.00 0.00 H new ATOM 0 HB3 GLU B 40 63.954 3.958 -9.770 1.00 0.00 H new ATOM 0 HG2 GLU B 40 61.948 3.986 -8.456 1.00 0.00 H new ATOM 0 HG3 GLU B 40 60.912 3.995 -9.870 1.00 0.00 H new ATOM 2083 N LEU B 41 64.065 7.318 -9.709 1.00 0.00 N ATOM 2084 CA LEU B 41 64.382 8.302 -8.622 1.00 0.00 C ATOM 2085 C LEU B 41 64.234 9.711 -9.192 1.00 0.00 C ATOM 2086 O LEU B 41 64.982 10.604 -8.868 1.00 0.00 O ATOM 2087 CB LEU B 41 65.830 8.102 -8.154 1.00 0.00 C ATOM 2088 CG LEU B 41 66.027 6.678 -7.612 1.00 0.00 C ATOM 2089 CD1 LEU B 41 67.522 6.420 -7.379 1.00 0.00 C ATOM 2090 CD2 LEU B 41 65.272 6.508 -6.283 1.00 0.00 C ATOM 0 H LEU B 41 64.676 7.374 -10.524 1.00 0.00 H new ATOM 0 HA LEU B 41 63.707 8.157 -7.779 1.00 0.00 H new ATOM 0 HB2 LEU B 41 66.515 8.280 -8.983 1.00 0.00 H new ATOM 0 HB3 LEU B 41 66.072 8.829 -7.379 1.00 0.00 H new ATOM 0 HG LEU B 41 65.637 5.966 -8.340 1.00 0.00 H new ATOM 0 HD11 LEU B 41 67.661 5.410 -6.994 1.00 0.00 H new ATOM 0 HD12 LEU B 41 68.061 6.527 -8.320 1.00 0.00 H new ATOM 0 HD13 LEU B 41 67.907 7.139 -6.656 1.00 0.00 H new ATOM 0 HD21 LEU B 41 65.419 5.495 -5.908 1.00 0.00 H new ATOM 0 HD22 LEU B 41 65.653 7.223 -5.554 1.00 0.00 H new ATOM 0 HD23 LEU B 41 64.209 6.685 -6.443 1.00 0.00 H new ATOM 2102 N SER B 42 63.279 9.905 -10.051 1.00 0.00 N ATOM 2103 CA SER B 42 63.078 11.244 -10.674 1.00 0.00 C ATOM 2104 C SER B 42 62.791 12.308 -9.617 1.00 0.00 C ATOM 2105 O SER B 42 63.254 13.427 -9.707 1.00 0.00 O ATOM 2106 CB SER B 42 61.872 11.161 -11.591 1.00 0.00 C ATOM 2107 OG SER B 42 62.166 10.307 -12.689 1.00 0.00 O ATOM 0 H SER B 42 62.620 9.187 -10.354 1.00 0.00 H new ATOM 0 HA SER B 42 63.984 11.518 -11.215 1.00 0.00 H new ATOM 0 HB2 SER B 42 61.010 10.781 -11.042 1.00 0.00 H new ATOM 0 HB3 SER B 42 61.607 12.155 -11.951 1.00 0.00 H new ATOM 0 HG SER B 42 62.155 9.374 -12.390 1.00 0.00 H new ATOM 2113 N SER B 43 62.019 11.983 -8.629 1.00 0.00 N ATOM 2114 CA SER B 43 61.697 12.997 -7.586 1.00 0.00 C ATOM 2115 C SER B 43 62.977 13.400 -6.879 1.00 0.00 C ATOM 2116 O SER B 43 63.155 14.532 -6.493 1.00 0.00 O ATOM 2117 CB SER B 43 60.703 12.410 -6.586 1.00 0.00 C ATOM 2118 OG SER B 43 60.396 13.386 -5.598 1.00 0.00 O ATOM 0 H SER B 43 61.596 11.065 -8.493 1.00 0.00 H new ATOM 0 HA SER B 43 61.247 13.876 -8.049 1.00 0.00 H new ATOM 0 HB2 SER B 43 59.794 12.098 -7.100 1.00 0.00 H new ATOM 0 HB3 SER B 43 61.124 11.521 -6.117 1.00 0.00 H new ATOM 0 HG SER B 43 60.202 14.242 -6.033 1.00 0.00 H new ATOM 2124 N PHE B 44 63.880 12.495 -6.715 1.00 0.00 N ATOM 2125 CA PHE B 44 65.156 12.869 -6.046 1.00 0.00 C ATOM 2126 C PHE B 44 65.832 13.952 -6.882 1.00 0.00 C ATOM 2127 O PHE B 44 66.375 14.908 -6.363 1.00 0.00 O ATOM 2128 CB PHE B 44 66.058 11.640 -5.917 1.00 0.00 C ATOM 2129 CG PHE B 44 65.623 10.819 -4.725 1.00 0.00 C ATOM 2130 CD1 PHE B 44 66.133 11.119 -3.459 1.00 0.00 C ATOM 2131 CD2 PHE B 44 64.714 9.770 -4.881 1.00 0.00 C ATOM 2132 CE1 PHE B 44 65.737 10.371 -2.346 1.00 0.00 C ATOM 2133 CE2 PHE B 44 64.315 9.020 -3.767 1.00 0.00 C ATOM 2134 CZ PHE B 44 64.826 9.321 -2.499 1.00 0.00 C ATOM 0 H PHE B 44 63.801 11.521 -7.008 1.00 0.00 H new ATOM 0 HA PHE B 44 64.963 13.248 -5.042 1.00 0.00 H new ATOM 0 HB2 PHE B 44 66.004 11.039 -6.825 1.00 0.00 H new ATOM 0 HB3 PHE B 44 67.097 11.949 -5.800 1.00 0.00 H new ATOM 0 HD1 PHE B 44 66.835 11.931 -3.340 1.00 0.00 H new ATOM 0 HD2 PHE B 44 64.319 9.537 -5.859 1.00 0.00 H new ATOM 0 HE1 PHE B 44 66.134 10.604 -1.369 1.00 0.00 H new ATOM 0 HE2 PHE B 44 63.612 8.209 -3.887 1.00 0.00 H new ATOM 0 HZ PHE B 44 64.517 8.743 -1.640 1.00 0.00 H new ATOM 2144 N LEU B 45 65.780 13.820 -8.174 1.00 0.00 N ATOM 2145 CA LEU B 45 66.392 14.846 -9.055 1.00 0.00 C ATOM 2146 C LEU B 45 65.658 16.174 -8.840 1.00 0.00 C ATOM 2147 O LEU B 45 66.074 17.206 -9.328 1.00 0.00 O ATOM 2148 CB LEU B 45 66.268 14.401 -10.523 1.00 0.00 C ATOM 2149 CG LEU B 45 67.434 13.470 -10.914 1.00 0.00 C ATOM 2150 CD1 LEU B 45 68.746 14.262 -11.060 1.00 0.00 C ATOM 2151 CD2 LEU B 45 67.610 12.377 -9.853 1.00 0.00 C ATOM 0 H LEU B 45 65.337 13.041 -8.661 1.00 0.00 H new ATOM 0 HA LEU B 45 67.448 14.970 -8.816 1.00 0.00 H new ATOM 0 HB2 LEU B 45 65.319 13.885 -10.672 1.00 0.00 H new ATOM 0 HB3 LEU B 45 66.261 15.276 -11.173 1.00 0.00 H new ATOM 0 HG LEU B 45 67.196 13.013 -11.874 1.00 0.00 H new ATOM 0 HD11 LEU B 45 69.552 13.583 -11.336 1.00 0.00 H new ATOM 0 HD12 LEU B 45 68.629 15.020 -11.834 1.00 0.00 H new ATOM 0 HD13 LEU B 45 68.987 14.745 -10.113 1.00 0.00 H new ATOM 0 HD21 LEU B 45 68.435 11.724 -10.137 1.00 0.00 H new ATOM 0 HD22 LEU B 45 67.826 12.837 -8.889 1.00 0.00 H new ATOM 0 HD23 LEU B 45 66.694 11.792 -9.778 1.00 0.00 H new ATOM 2163 N ASP B 46 64.563 16.161 -8.121 1.00 0.00 N ATOM 2164 CA ASP B 46 63.823 17.434 -7.897 1.00 0.00 C ATOM 2165 C ASP B 46 64.801 18.511 -7.411 1.00 0.00 C ATOM 2166 O ASP B 46 64.621 19.685 -7.664 1.00 0.00 O ATOM 2167 CB ASP B 46 62.728 17.251 -6.845 1.00 0.00 C ATOM 2168 CG ASP B 46 61.606 16.383 -7.419 1.00 0.00 C ATOM 2169 OD1 ASP B 46 61.465 16.357 -8.631 1.00 0.00 O ATOM 2170 OD2 ASP B 46 60.904 15.761 -6.639 1.00 0.00 O ATOM 0 H ASP B 46 64.156 15.333 -7.686 1.00 0.00 H new ATOM 0 HA ASP B 46 63.362 17.734 -8.838 1.00 0.00 H new ATOM 0 HB2 ASP B 46 63.142 16.784 -5.952 1.00 0.00 H new ATOM 0 HB3 ASP B 46 62.333 18.221 -6.544 1.00 0.00 H new ATOM 2175 N VAL B 47 65.840 18.120 -6.709 1.00 0.00 N ATOM 2176 CA VAL B 47 66.822 19.130 -6.207 1.00 0.00 C ATOM 2177 C VAL B 47 68.162 18.452 -5.869 1.00 0.00 C ATOM 2178 O VAL B 47 68.337 17.879 -4.814 1.00 0.00 O ATOM 2179 CB VAL B 47 66.246 19.804 -4.953 1.00 0.00 C ATOM 2180 CG1 VAL B 47 65.930 18.748 -3.870 1.00 0.00 C ATOM 2181 CG2 VAL B 47 67.261 20.821 -4.412 1.00 0.00 C ATOM 0 H VAL B 47 66.048 17.152 -6.464 1.00 0.00 H new ATOM 0 HA VAL B 47 67.000 19.877 -6.980 1.00 0.00 H new ATOM 0 HB VAL B 47 65.320 20.316 -5.216 1.00 0.00 H new ATOM 0 HG11 VAL B 47 65.523 19.242 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL B 47 65.200 18.037 -4.257 1.00 0.00 H new ATOM 0 HG13 VAL B 47 66.844 18.219 -3.600 1.00 0.00 H new ATOM 0 HG21 VAL B 47 66.855 21.301 -3.522 1.00 0.00 H new ATOM 0 HG22 VAL B 47 68.189 20.309 -4.157 1.00 0.00 H new ATOM 0 HG23 VAL B 47 67.460 21.576 -5.173 1.00 0.00 H new ATOM 2191 N GLN B 48 69.111 18.520 -6.765 1.00 0.00 N ATOM 2192 CA GLN B 48 70.439 17.900 -6.520 1.00 0.00 C ATOM 2193 C GLN B 48 71.192 18.693 -5.446 1.00 0.00 C ATOM 2194 O GLN B 48 71.584 19.825 -5.650 1.00 0.00 O ATOM 2195 CB GLN B 48 71.251 17.907 -7.818 1.00 0.00 C ATOM 2196 CG GLN B 48 70.640 16.914 -8.811 1.00 0.00 C ATOM 2197 CD GLN B 48 71.372 17.009 -10.154 1.00 0.00 C ATOM 2198 OE1 GLN B 48 70.787 16.775 -11.193 1.00 0.00 O ATOM 2199 NE2 GLN B 48 72.637 17.333 -10.180 1.00 0.00 N ATOM 0 H GLN B 48 69.017 18.986 -7.667 1.00 0.00 H new ATOM 0 HA GLN B 48 70.299 16.874 -6.179 1.00 0.00 H new ATOM 0 HB2 GLN B 48 71.259 18.908 -8.248 1.00 0.00 H new ATOM 0 HB3 GLN B 48 72.287 17.640 -7.612 1.00 0.00 H new ATOM 0 HG2 GLN B 48 70.713 15.900 -8.417 1.00 0.00 H new ATOM 0 HG3 GLN B 48 69.580 17.128 -8.948 1.00 0.00 H new ATOM 0 HE21 GLN B 48 73.131 17.530 -9.310 1.00 0.00 H new ATOM 0 HE22 GLN B 48 73.131 17.389 -11.071 1.00 0.00 H new ATOM 2208 N LYS B 49 71.403 18.096 -4.314 1.00 0.00 N ATOM 2209 CA LYS B 49 72.142 18.781 -3.214 1.00 0.00 C ATOM 2210 C LYS B 49 73.655 18.681 -3.468 1.00 0.00 C ATOM 2211 O LYS B 49 74.308 19.661 -3.767 1.00 0.00 O ATOM 2212 CB LYS B 49 71.815 18.100 -1.876 1.00 0.00 C ATOM 2213 CG LYS B 49 70.295 18.101 -1.632 1.00 0.00 C ATOM 2214 CD LYS B 49 69.831 19.459 -1.048 1.00 0.00 C ATOM 2215 CE LYS B 49 69.776 19.393 0.484 1.00 0.00 C ATOM 2216 NZ LYS B 49 71.143 19.153 1.027 1.00 0.00 N ATOM 0 H LYS B 49 71.093 17.149 -4.096 1.00 0.00 H new ATOM 0 HA LYS B 49 71.843 19.829 -3.180 1.00 0.00 H new ATOM 0 HB2 LYS B 49 72.188 17.076 -1.881 1.00 0.00 H new ATOM 0 HB3 LYS B 49 72.321 18.620 -1.063 1.00 0.00 H new ATOM 0 HG2 LYS B 49 69.772 17.905 -2.568 1.00 0.00 H new ATOM 0 HG3 LYS B 49 70.032 17.296 -0.946 1.00 0.00 H new ATOM 0 HD2 LYS B 49 70.515 20.249 -1.360 1.00 0.00 H new ATOM 0 HD3 LYS B 49 68.848 19.715 -1.443 1.00 0.00 H new ATOM 0 HE2 LYS B 49 69.374 20.324 0.883 1.00 0.00 H new ATOM 0 HE3 LYS B 49 69.104 18.595 0.799 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 71.186 18.204 1.451 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 71.839 19.220 0.257 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 71.359 19.867 1.752 1.00 0.00 H new ATOM 2230 N ASP B 50 74.217 17.499 -3.342 1.00 0.00 N ATOM 2231 CA ASP B 50 75.692 17.323 -3.564 1.00 0.00 C ATOM 2232 C ASP B 50 75.958 16.757 -4.964 1.00 0.00 C ATOM 2233 O ASP B 50 75.829 15.572 -5.229 1.00 0.00 O ATOM 2234 CB ASP B 50 76.258 16.377 -2.507 1.00 0.00 C ATOM 2235 CG ASP B 50 76.255 17.077 -1.146 1.00 0.00 C ATOM 2236 OD1 ASP B 50 76.157 18.294 -1.127 1.00 0.00 O ATOM 2237 OD2 ASP B 50 76.349 16.385 -0.145 1.00 0.00 O ATOM 0 H ASP B 50 73.716 16.646 -3.094 1.00 0.00 H new ATOM 0 HA ASP B 50 76.180 18.294 -3.482 1.00 0.00 H new ATOM 0 HB2 ASP B 50 75.661 15.466 -2.461 1.00 0.00 H new ATOM 0 HB3 ASP B 50 77.272 16.081 -2.774 1.00 0.00 H new ATOM 2242 N ALA B 51 76.352 17.612 -5.856 1.00 0.00 N ATOM 2243 CA ALA B 51 76.648 17.185 -7.245 1.00 0.00 C ATOM 2244 C ALA B 51 77.952 16.406 -7.264 1.00 0.00 C ATOM 2245 O ALA B 51 78.243 15.710 -8.199 1.00 0.00 O ATOM 2246 CB ALA B 51 76.778 18.422 -8.133 1.00 0.00 C ATOM 0 H ALA B 51 76.484 18.608 -5.679 1.00 0.00 H new ATOM 0 HA ALA B 51 75.842 16.552 -7.617 1.00 0.00 H new ATOM 0 HB1 ALA B 51 76.996 18.114 -9.156 1.00 0.00 H new ATOM 0 HB2 ALA B 51 75.844 18.983 -8.114 1.00 0.00 H new ATOM 0 HB3 ALA B 51 77.587 19.052 -7.763 1.00 0.00 H new ATOM 2252 N ASP B 52 78.739 16.532 -6.240 1.00 0.00 N ATOM 2253 CA ASP B 52 80.032 15.796 -6.182 1.00 0.00 C ATOM 2254 C ASP B 52 79.766 14.302 -6.000 1.00 0.00 C ATOM 2255 O ASP B 52 80.434 13.475 -6.581 1.00 0.00 O ATOM 2256 CB ASP B 52 80.878 16.317 -5.018 1.00 0.00 C ATOM 2257 CG ASP B 52 81.384 17.724 -5.346 1.00 0.00 C ATOM 2258 OD1 ASP B 52 81.400 18.069 -6.516 1.00 0.00 O ATOM 2259 OD2 ASP B 52 81.752 18.431 -4.423 1.00 0.00 O ATOM 0 H ASP B 52 78.543 17.119 -5.430 1.00 0.00 H new ATOM 0 HA ASP B 52 80.575 15.954 -7.114 1.00 0.00 H new ATOM 0 HB2 ASP B 52 80.285 16.336 -4.103 1.00 0.00 H new ATOM 0 HB3 ASP B 52 81.720 15.649 -4.838 1.00 0.00 H new ATOM 2264 N ALA B 53 78.805 13.947 -5.188 1.00 0.00 N ATOM 2265 CA ALA B 53 78.516 12.489 -4.978 1.00 0.00 C ATOM 2266 C ALA B 53 77.980 11.892 -6.275 1.00 0.00 C ATOM 2267 O ALA B 53 78.474 10.897 -6.768 1.00 0.00 O ATOM 2268 CB ALA B 53 77.486 12.322 -3.863 1.00 0.00 C ATOM 0 H ALA B 53 78.212 14.591 -4.665 1.00 0.00 H new ATOM 0 HA ALA B 53 79.432 11.972 -4.692 1.00 0.00 H new ATOM 0 HB1 ALA B 53 77.279 11.262 -3.714 1.00 0.00 H new ATOM 0 HB2 ALA B 53 77.877 12.749 -2.939 1.00 0.00 H new ATOM 0 HB3 ALA B 53 76.565 12.836 -4.138 1.00 0.00 H new ATOM 2274 N VAL B 54 76.990 12.510 -6.843 1.00 0.00 N ATOM 2275 CA VAL B 54 76.432 11.991 -8.141 1.00 0.00 C ATOM 2276 C VAL B 54 77.557 12.007 -9.174 1.00 0.00 C ATOM 2277 O VAL B 54 77.651 11.147 -10.007 1.00 0.00 O ATOM 2278 CB VAL B 54 75.250 12.901 -8.595 1.00 0.00 C ATOM 2279 CG1 VAL B 54 75.346 13.280 -10.088 1.00 0.00 C ATOM 2280 CG2 VAL B 54 73.910 12.180 -8.371 1.00 0.00 C ATOM 0 H VAL B 54 76.537 13.348 -6.477 1.00 0.00 H new ATOM 0 HA VAL B 54 76.054 10.975 -8.027 1.00 0.00 H new ATOM 0 HB VAL B 54 75.307 13.810 -7.997 1.00 0.00 H new ATOM 0 HG11 VAL B 54 74.501 13.914 -10.357 1.00 0.00 H new ATOM 0 HG12 VAL B 54 76.276 13.819 -10.267 1.00 0.00 H new ATOM 0 HG13 VAL B 54 75.328 12.375 -10.695 1.00 0.00 H new ATOM 0 HG21 VAL B 54 73.092 12.825 -8.692 1.00 0.00 H new ATOM 0 HG22 VAL B 54 73.892 11.257 -8.950 1.00 0.00 H new ATOM 0 HG23 VAL B 54 73.795 11.947 -7.312 1.00 0.00 H new ATOM 2290 N ASP B 55 78.389 12.993 -9.120 1.00 0.00 N ATOM 2291 CA ASP B 55 79.505 13.107 -10.106 1.00 0.00 C ATOM 2292 C ASP B 55 80.419 11.883 -10.022 1.00 0.00 C ATOM 2293 O ASP B 55 80.874 11.372 -11.026 1.00 0.00 O ATOM 2294 CB ASP B 55 80.317 14.371 -9.797 1.00 0.00 C ATOM 2295 CG ASP B 55 81.485 14.489 -10.777 1.00 0.00 C ATOM 2296 OD1 ASP B 55 81.650 13.590 -11.584 1.00 0.00 O ATOM 2297 OD2 ASP B 55 82.201 15.476 -10.697 1.00 0.00 O ATOM 0 H ASP B 55 78.351 13.741 -8.428 1.00 0.00 H new ATOM 0 HA ASP B 55 79.088 13.164 -11.112 1.00 0.00 H new ATOM 0 HB2 ASP B 55 79.679 15.251 -9.870 1.00 0.00 H new ATOM 0 HB3 ASP B 55 80.691 14.333 -8.774 1.00 0.00 H new ATOM 2302 N LYS B 56 80.690 11.403 -8.846 1.00 0.00 N ATOM 2303 CA LYS B 56 81.572 10.208 -8.721 1.00 0.00 C ATOM 2304 C LYS B 56 80.864 8.993 -9.305 1.00 0.00 C ATOM 2305 O LYS B 56 81.461 8.163 -9.966 1.00 0.00 O ATOM 2306 CB LYS B 56 81.911 9.969 -7.253 1.00 0.00 C ATOM 2307 CG LYS B 56 82.839 11.084 -6.794 1.00 0.00 C ATOM 2308 CD LYS B 56 83.209 10.888 -5.324 1.00 0.00 C ATOM 2309 CE LYS B 56 84.139 12.020 -4.883 1.00 0.00 C ATOM 2310 NZ LYS B 56 85.376 12.002 -5.718 1.00 0.00 N ATOM 0 H LYS B 56 80.342 11.782 -7.966 1.00 0.00 H new ATOM 0 HA LYS B 56 82.498 10.378 -9.270 1.00 0.00 H new ATOM 0 HB2 LYS B 56 81.003 9.957 -6.650 1.00 0.00 H new ATOM 0 HB3 LYS B 56 82.391 8.998 -7.126 1.00 0.00 H new ATOM 0 HG2 LYS B 56 83.741 11.092 -7.406 1.00 0.00 H new ATOM 0 HG3 LYS B 56 82.353 12.050 -6.929 1.00 0.00 H new ATOM 0 HD2 LYS B 56 82.310 10.880 -4.708 1.00 0.00 H new ATOM 0 HD3 LYS B 56 83.699 9.924 -5.185 1.00 0.00 H new ATOM 0 HE2 LYS B 56 83.633 12.980 -4.984 1.00 0.00 H new ATOM 0 HE3 LYS B 56 84.396 11.904 -3.830 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 86.138 12.504 -5.220 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 85.664 11.018 -5.890 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 85.188 12.472 -6.627 1.00 0.00 H new ATOM 2324 N ILE B 57 79.593 8.889 -9.071 1.00 0.00 N ATOM 2325 CA ILE B 57 78.831 7.738 -9.607 1.00 0.00 C ATOM 2326 C ILE B 57 78.927 7.729 -11.132 1.00 0.00 C ATOM 2327 O ILE B 57 79.112 6.700 -11.740 1.00 0.00 O ATOM 2328 CB ILE B 57 77.369 7.888 -9.173 1.00 0.00 C ATOM 2329 CG1 ILE B 57 77.250 7.657 -7.661 1.00 0.00 C ATOM 2330 CG2 ILE B 57 76.489 6.877 -9.908 1.00 0.00 C ATOM 2331 CD1 ILE B 57 75.864 8.093 -7.151 1.00 0.00 C ATOM 0 H ILE B 57 79.045 9.556 -8.528 1.00 0.00 H new ATOM 0 HA ILE B 57 79.237 6.801 -9.227 1.00 0.00 H new ATOM 0 HB ILE B 57 77.036 8.896 -9.418 1.00 0.00 H new ATOM 0 HG12 ILE B 57 77.411 6.603 -7.435 1.00 0.00 H new ATOM 0 HG13 ILE B 57 78.027 8.217 -7.140 1.00 0.00 H new ATOM 0 HG21 ILE B 57 75.454 6.996 -9.589 1.00 0.00 H new ATOM 0 HG22 ILE B 57 76.559 7.047 -10.982 1.00 0.00 H new ATOM 0 HG23 ILE B 57 76.826 5.866 -9.677 1.00 0.00 H new ATOM 0 HD11 ILE B 57 75.801 7.921 -6.077 1.00 0.00 H new ATOM 0 HD12 ILE B 57 75.717 9.153 -7.358 1.00 0.00 H new ATOM 0 HD13 ILE B 57 75.091 7.514 -7.657 1.00 0.00 H new ATOM 2343 N MET B 58 78.824 8.863 -11.752 1.00 0.00 N ATOM 2344 CA MET B 58 78.921 8.912 -13.238 1.00 0.00 C ATOM 2345 C MET B 58 80.301 8.393 -13.670 1.00 0.00 C ATOM 2346 O MET B 58 80.454 7.827 -14.734 1.00 0.00 O ATOM 2347 CB MET B 58 78.755 10.358 -13.731 1.00 0.00 C ATOM 2348 CG MET B 58 77.466 10.987 -13.167 1.00 0.00 C ATOM 2349 SD MET B 58 76.035 10.531 -14.178 1.00 0.00 S ATOM 2350 CE MET B 58 74.740 10.880 -12.945 1.00 0.00 C ATOM 0 H MET B 58 78.676 9.764 -11.297 1.00 0.00 H new ATOM 0 HA MET B 58 78.133 8.293 -13.667 1.00 0.00 H new ATOM 0 HB2 MET B 58 79.617 10.951 -13.427 1.00 0.00 H new ATOM 0 HB3 MET B 58 78.726 10.374 -14.820 1.00 0.00 H new ATOM 0 HG2 MET B 58 77.313 10.655 -12.140 1.00 0.00 H new ATOM 0 HG3 MET B 58 77.567 12.072 -13.139 1.00 0.00 H new ATOM 0 HE1 MET B 58 73.773 10.562 -13.334 1.00 0.00 H new ATOM 0 HE2 MET B 58 74.958 10.337 -12.025 1.00 0.00 H new ATOM 0 HE3 MET B 58 74.714 11.950 -12.738 1.00 0.00 H new ATOM 2360 N LYS B 59 81.312 8.610 -12.865 1.00 0.00 N ATOM 2361 CA LYS B 59 82.684 8.156 -13.243 1.00 0.00 C ATOM 2362 C LYS B 59 82.732 6.637 -13.443 1.00 0.00 C ATOM 2363 O LYS B 59 83.389 6.162 -14.335 1.00 0.00 O ATOM 2364 CB LYS B 59 83.688 8.573 -12.163 1.00 0.00 C ATOM 2365 CG LYS B 59 85.112 8.300 -12.659 1.00 0.00 C ATOM 2366 CD LYS B 59 86.118 8.737 -11.591 1.00 0.00 C ATOM 2367 CE LYS B 59 87.543 8.521 -12.106 1.00 0.00 C ATOM 2368 NZ LYS B 59 87.818 7.061 -12.218 1.00 0.00 N ATOM 0 H LYS B 59 81.245 9.082 -11.963 1.00 0.00 H new ATOM 0 HA LYS B 59 82.949 8.630 -14.188 1.00 0.00 H new ATOM 0 HB2 LYS B 59 83.569 9.631 -11.929 1.00 0.00 H new ATOM 0 HB3 LYS B 59 83.499 8.020 -11.243 1.00 0.00 H new ATOM 0 HG2 LYS B 59 85.235 7.239 -12.877 1.00 0.00 H new ATOM 0 HG3 LYS B 59 85.295 8.840 -13.588 1.00 0.00 H new ATOM 0 HD2 LYS B 59 85.966 9.787 -11.343 1.00 0.00 H new ATOM 0 HD3 LYS B 59 85.962 8.167 -10.675 1.00 0.00 H new ATOM 0 HE2 LYS B 59 87.666 9.000 -13.077 1.00 0.00 H new ATOM 0 HE3 LYS B 59 88.260 8.985 -11.429 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 88.840 6.908 -12.335 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 87.493 6.579 -11.356 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 87.314 6.675 -13.042 1.00 0.00 H new ATOM 2382 N GLU B 60 82.067 5.867 -12.626 1.00 0.00 N ATOM 2383 CA GLU B 60 82.108 4.383 -12.805 1.00 0.00 C ATOM 2384 C GLU B 60 81.400 4.002 -14.110 1.00 0.00 C ATOM 2385 O GLU B 60 81.820 3.121 -14.835 1.00 0.00 O ATOM 2386 CB GLU B 60 81.403 3.713 -11.623 1.00 0.00 C ATOM 2387 CG GLU B 60 82.249 3.889 -10.361 1.00 0.00 C ATOM 2388 CD GLU B 60 81.524 3.262 -9.169 1.00 0.00 C ATOM 2389 OE1 GLU B 60 80.461 2.700 -9.376 1.00 0.00 O ATOM 2390 OE2 GLU B 60 82.043 3.356 -8.069 1.00 0.00 O ATOM 0 H GLU B 60 81.499 6.196 -11.845 1.00 0.00 H new ATOM 0 HA GLU B 60 83.145 4.049 -12.849 1.00 0.00 H new ATOM 0 HB2 GLU B 60 80.416 4.153 -11.477 1.00 0.00 H new ATOM 0 HB3 GLU B 60 81.252 2.653 -11.828 1.00 0.00 H new ATOM 0 HG2 GLU B 60 83.224 3.420 -10.495 1.00 0.00 H new ATOM 0 HG3 GLU B 60 82.428 4.948 -10.175 1.00 0.00 H new ATOM 2397 N LEU B 61 80.318 4.662 -14.391 1.00 0.00 N ATOM 2398 CA LEU B 61 79.518 4.386 -15.614 1.00 0.00 C ATOM 2399 C LEU B 61 80.357 4.603 -16.884 1.00 0.00 C ATOM 2400 O LEU B 61 80.228 3.879 -17.851 1.00 0.00 O ATOM 2401 CB LEU B 61 78.329 5.368 -15.624 1.00 0.00 C ATOM 2402 CG LEU B 61 77.199 4.942 -14.650 1.00 0.00 C ATOM 2403 CD1 LEU B 61 76.278 3.952 -15.346 1.00 0.00 C ATOM 2404 CD2 LEU B 61 77.744 4.292 -13.364 1.00 0.00 C ATOM 0 H LEU B 61 79.941 5.407 -13.805 1.00 0.00 H new ATOM 0 HA LEU B 61 79.182 3.349 -15.603 1.00 0.00 H new ATOM 0 HB2 LEU B 61 78.682 6.363 -15.353 1.00 0.00 H new ATOM 0 HB3 LEU B 61 77.927 5.436 -16.635 1.00 0.00 H new ATOM 0 HG LEU B 61 76.660 5.846 -14.366 1.00 0.00 H new ATOM 0 HD11 LEU B 61 75.484 3.652 -14.663 1.00 0.00 H new ATOM 0 HD12 LEU B 61 75.841 4.420 -16.228 1.00 0.00 H new ATOM 0 HD13 LEU B 61 76.849 3.074 -15.647 1.00 0.00 H new ATOM 0 HD21 LEU B 61 76.912 4.013 -12.717 1.00 0.00 H new ATOM 0 HD22 LEU B 61 78.319 3.402 -13.621 1.00 0.00 H new ATOM 0 HD23 LEU B 61 78.387 5.001 -12.842 1.00 0.00 H new ATOM 2416 N ASP B 62 81.179 5.610 -16.906 1.00 0.00 N ATOM 2417 CA ASP B 62 81.991 5.892 -18.138 1.00 0.00 C ATOM 2418 C ASP B 62 83.301 5.102 -18.140 1.00 0.00 C ATOM 2419 O ASP B 62 83.796 4.705 -19.176 1.00 0.00 O ATOM 2420 CB ASP B 62 82.320 7.386 -18.196 1.00 0.00 C ATOM 2421 CG ASP B 62 81.048 8.183 -18.493 1.00 0.00 C ATOM 2422 OD1 ASP B 62 80.105 7.594 -18.994 1.00 0.00 O ATOM 2423 OD2 ASP B 62 81.040 9.371 -18.214 1.00 0.00 O ATOM 0 H ASP B 62 81.330 6.255 -16.130 1.00 0.00 H new ATOM 0 HA ASP B 62 81.402 5.591 -19.004 1.00 0.00 H new ATOM 0 HB2 ASP B 62 82.751 7.710 -17.249 1.00 0.00 H new ATOM 0 HB3 ASP B 62 83.067 7.574 -18.967 1.00 0.00 H new ATOM 2428 N GLU B 63 83.881 4.900 -16.998 1.00 0.00 N ATOM 2429 CA GLU B 63 85.174 4.172 -16.933 1.00 0.00 C ATOM 2430 C GLU B 63 84.953 2.685 -17.216 1.00 0.00 C ATOM 2431 O GLU B 63 85.813 2.007 -17.742 1.00 0.00 O ATOM 2432 CB GLU B 63 85.800 4.408 -15.547 1.00 0.00 C ATOM 2433 CG GLU B 63 85.263 3.414 -14.499 1.00 0.00 C ATOM 2434 CD GLU B 63 86.113 2.138 -14.492 1.00 0.00 C ATOM 2435 OE1 GLU B 63 86.732 1.851 -15.502 1.00 0.00 O ATOM 2436 OE2 GLU B 63 86.136 1.474 -13.469 1.00 0.00 O ATOM 0 H GLU B 63 83.514 5.210 -16.098 1.00 0.00 H new ATOM 0 HA GLU B 63 85.862 4.544 -17.693 1.00 0.00 H new ATOM 0 HB2 GLU B 63 86.884 4.312 -15.617 1.00 0.00 H new ATOM 0 HB3 GLU B 63 85.590 5.427 -15.222 1.00 0.00 H new ATOM 0 HG2 GLU B 63 85.277 3.874 -13.511 1.00 0.00 H new ATOM 0 HG3 GLU B 63 84.225 3.166 -14.721 1.00 0.00 H new ATOM 2443 N ASN B 64 83.806 2.174 -16.871 1.00 0.00 N ATOM 2444 CA ASN B 64 83.518 0.735 -17.117 1.00 0.00 C ATOM 2445 C ASN B 64 82.019 0.566 -17.374 1.00 0.00 C ATOM 2446 O ASN B 64 81.381 -0.322 -16.846 1.00 0.00 O ATOM 2447 CB ASN B 64 83.939 -0.066 -15.886 1.00 0.00 C ATOM 2448 CG ASN B 64 83.651 -1.550 -16.115 1.00 0.00 C ATOM 2449 OD1 ASN B 64 83.280 -1.950 -17.200 1.00 0.00 O ATOM 2450 ND2 ASN B 64 83.808 -2.388 -15.129 1.00 0.00 N ATOM 0 H ASN B 64 83.050 2.695 -16.426 1.00 0.00 H new ATOM 0 HA ASN B 64 84.070 0.376 -17.985 1.00 0.00 H new ATOM 0 HB2 ASN B 64 85.001 0.082 -15.689 1.00 0.00 H new ATOM 0 HB3 ASN B 64 83.399 0.288 -15.008 1.00 0.00 H new ATOM 0 HD21 ASN B 64 83.619 -3.381 -15.268 1.00 0.00 H new ATOM 0 HD22 ASN B 64 84.120 -2.051 -14.218 1.00 0.00 H new ATOM 2457 N GLY B 65 81.456 1.416 -18.190 1.00 0.00 N ATOM 2458 CA GLY B 65 80.001 1.319 -18.493 1.00 0.00 C ATOM 2459 C GLY B 65 79.657 -0.120 -18.875 1.00 0.00 C ATOM 2460 O GLY B 65 78.559 -0.591 -18.651 1.00 0.00 O ATOM 0 H GLY B 65 81.945 2.177 -18.662 1.00 0.00 H new ATOM 0 HA2 GLY B 65 79.416 1.626 -17.626 1.00 0.00 H new ATOM 0 HA3 GLY B 65 79.742 1.995 -19.308 1.00 0.00 H new ATOM 2464 N ASP B 66 80.592 -0.818 -19.460 1.00 0.00 N ATOM 2465 CA ASP B 66 80.331 -2.225 -19.875 1.00 0.00 C ATOM 2466 C ASP B 66 80.450 -3.166 -18.675 1.00 0.00 C ATOM 2467 O ASP B 66 80.114 -4.331 -18.759 1.00 0.00 O ATOM 2468 CB ASP B 66 81.356 -2.634 -20.934 1.00 0.00 C ATOM 2469 CG ASP B 66 81.075 -1.883 -22.236 1.00 0.00 C ATOM 2470 OD1 ASP B 66 79.951 -1.445 -22.414 1.00 0.00 O ATOM 2471 OD2 ASP B 66 81.991 -1.757 -23.032 1.00 0.00 O ATOM 0 H ASP B 66 81.529 -0.473 -19.669 1.00 0.00 H new ATOM 0 HA ASP B 66 79.321 -2.292 -20.280 1.00 0.00 H new ATOM 0 HB2 ASP B 66 82.364 -2.411 -20.584 1.00 0.00 H new ATOM 0 HB3 ASP B 66 81.308 -3.709 -21.105 1.00 0.00 H new ATOM 2476 N GLY B 67 80.919 -2.682 -17.556 1.00 0.00 N ATOM 2477 CA GLY B 67 81.048 -3.563 -16.372 1.00 0.00 C ATOM 2478 C GLY B 67 79.661 -4.019 -15.935 1.00 0.00 C ATOM 2479 O GLY B 67 78.759 -4.153 -16.736 1.00 0.00 O ATOM 0 H GLY B 67 81.216 -1.716 -17.416 1.00 0.00 H new ATOM 0 HA2 GLY B 67 81.669 -4.426 -16.612 1.00 0.00 H new ATOM 0 HA3 GLY B 67 81.542 -3.030 -15.559 1.00 0.00 H new ATOM 2483 N GLU B 68 79.483 -4.254 -14.669 1.00 0.00 N ATOM 2484 CA GLU B 68 78.147 -4.708 -14.181 1.00 0.00 C ATOM 2485 C GLU B 68 77.989 -4.417 -12.686 1.00 0.00 C ATOM 2486 O GLU B 68 78.951 -4.232 -11.967 1.00 0.00 O ATOM 2487 CB GLU B 68 78.001 -6.212 -14.438 1.00 0.00 C ATOM 2488 CG GLU B 68 79.108 -6.972 -13.702 1.00 0.00 C ATOM 2489 CD GLU B 68 78.973 -8.471 -13.982 1.00 0.00 C ATOM 2490 OE1 GLU B 68 77.915 -8.877 -14.434 1.00 0.00 O ATOM 2491 OE2 GLU B 68 79.931 -9.187 -13.742 1.00 0.00 O ATOM 0 H GLU B 68 80.199 -4.153 -13.950 1.00 0.00 H new ATOM 0 HA GLU B 68 77.370 -4.165 -14.719 1.00 0.00 H new ATOM 0 HB2 GLU B 68 77.024 -6.555 -14.099 1.00 0.00 H new ATOM 0 HB3 GLU B 68 78.057 -6.415 -15.508 1.00 0.00 H new ATOM 0 HG2 GLU B 68 80.086 -6.617 -14.028 1.00 0.00 H new ATOM 0 HG3 GLU B 68 79.042 -6.784 -12.630 1.00 0.00 H new ATOM 2498 N VAL B 69 76.764 -4.384 -12.226 1.00 0.00 N ATOM 2499 CA VAL B 69 76.477 -4.113 -10.782 1.00 0.00 C ATOM 2500 C VAL B 69 75.513 -5.180 -10.263 1.00 0.00 C ATOM 2501 O VAL B 69 74.726 -5.727 -11.012 1.00 0.00 O ATOM 2502 CB VAL B 69 75.824 -2.719 -10.642 1.00 0.00 C ATOM 2503 CG1 VAL B 69 76.910 -1.624 -10.738 1.00 0.00 C ATOM 2504 CG2 VAL B 69 74.744 -2.513 -11.749 1.00 0.00 C ATOM 0 H VAL B 69 75.935 -4.536 -12.800 1.00 0.00 H new ATOM 0 HA VAL B 69 77.403 -4.138 -10.207 1.00 0.00 H new ATOM 0 HB VAL B 69 75.336 -2.650 -9.670 1.00 0.00 H new ATOM 0 HG11 VAL B 69 76.447 -0.642 -10.639 1.00 0.00 H new ATOM 0 HG12 VAL B 69 77.639 -1.763 -9.940 1.00 0.00 H new ATOM 0 HG13 VAL B 69 77.412 -1.693 -11.703 1.00 0.00 H new ATOM 0 HG21 VAL B 69 74.293 -1.527 -11.638 1.00 0.00 H new ATOM 0 HG22 VAL B 69 75.210 -2.590 -12.731 1.00 0.00 H new ATOM 0 HG23 VAL B 69 73.973 -3.278 -11.652 1.00 0.00 H new ATOM 2514 N ASP B 70 75.574 -5.487 -8.989 1.00 0.00 N ATOM 2515 CA ASP B 70 74.670 -6.523 -8.404 1.00 0.00 C ATOM 2516 C ASP B 70 73.861 -5.911 -7.253 1.00 0.00 C ATOM 2517 O ASP B 70 73.667 -4.714 -7.184 1.00 0.00 O ATOM 2518 CB ASP B 70 75.520 -7.680 -7.871 1.00 0.00 C ATOM 2519 CG ASP B 70 76.544 -8.093 -8.931 1.00 0.00 C ATOM 2520 OD1 ASP B 70 76.334 -7.771 -10.089 1.00 0.00 O ATOM 2521 OD2 ASP B 70 77.525 -8.720 -8.566 1.00 0.00 O ATOM 0 H ASP B 70 76.219 -5.059 -8.325 1.00 0.00 H new ATOM 0 HA ASP B 70 73.985 -6.888 -9.169 1.00 0.00 H new ATOM 0 HB2 ASP B 70 76.030 -7.379 -6.956 1.00 0.00 H new ATOM 0 HB3 ASP B 70 74.882 -8.527 -7.617 1.00 0.00 H new ATOM 2526 N PHE B 71 73.362 -6.734 -6.369 1.00 0.00 N ATOM 2527 CA PHE B 71 72.532 -6.225 -5.234 1.00 0.00 C ATOM 2528 C PHE B 71 73.308 -5.253 -4.344 1.00 0.00 C ATOM 2529 O PHE B 71 72.850 -4.178 -4.059 1.00 0.00 O ATOM 2530 CB PHE B 71 72.093 -7.414 -4.380 1.00 0.00 C ATOM 2531 CG PHE B 71 73.315 -8.211 -3.970 1.00 0.00 C ATOM 2532 CD1 PHE B 71 73.783 -9.243 -4.789 1.00 0.00 C ATOM 2533 CD2 PHE B 71 73.980 -7.919 -2.771 1.00 0.00 C ATOM 2534 CE1 PHE B 71 74.913 -9.981 -4.412 1.00 0.00 C ATOM 2535 CE2 PHE B 71 75.106 -8.657 -2.394 1.00 0.00 C ATOM 2536 CZ PHE B 71 75.574 -9.687 -3.212 1.00 0.00 C ATOM 0 H PHE B 71 73.494 -7.745 -6.384 1.00 0.00 H new ATOM 0 HA PHE B 71 71.678 -5.693 -5.654 1.00 0.00 H new ATOM 0 HB2 PHE B 71 71.558 -7.065 -3.497 1.00 0.00 H new ATOM 0 HB3 PHE B 71 71.404 -8.045 -4.941 1.00 0.00 H new ATOM 0 HD1 PHE B 71 73.273 -9.472 -5.713 1.00 0.00 H new ATOM 0 HD2 PHE B 71 73.622 -7.122 -2.137 1.00 0.00 H new ATOM 0 HE1 PHE B 71 75.275 -10.777 -5.047 1.00 0.00 H new ATOM 0 HE2 PHE B 71 75.615 -8.430 -1.469 1.00 0.00 H new ATOM 0 HZ PHE B 71 76.444 -10.256 -2.920 1.00 0.00 H new ATOM 2546 N GLN B 72 74.461 -5.630 -3.888 1.00 0.00 N ATOM 2547 CA GLN B 72 75.250 -4.730 -3.000 1.00 0.00 C ATOM 2548 C GLN B 72 75.763 -3.554 -3.805 1.00 0.00 C ATOM 2549 O GLN B 72 75.970 -2.481 -3.296 1.00 0.00 O ATOM 2550 CB GLN B 72 76.436 -5.496 -2.391 1.00 0.00 C ATOM 2551 CG GLN B 72 77.451 -4.511 -1.748 1.00 0.00 C ATOM 2552 CD GLN B 72 78.603 -4.225 -2.723 1.00 0.00 C ATOM 2553 OE1 GLN B 72 78.853 -2.996 -3.081 1.00 0.00 O flip ATOM 2554 NE2 GLN B 72 79.276 -5.134 -3.165 1.00 0.00 N flip ATOM 0 H GLN B 72 74.899 -6.529 -4.091 1.00 0.00 H new ATOM 0 HA GLN B 72 74.610 -4.371 -2.194 1.00 0.00 H new ATOM 0 HB2 GLN B 72 76.075 -6.197 -1.639 1.00 0.00 H new ATOM 0 HB3 GLN B 72 76.931 -6.084 -3.164 1.00 0.00 H new ATOM 0 HG2 GLN B 72 76.949 -3.580 -1.484 1.00 0.00 H new ATOM 0 HG3 GLN B 72 77.844 -4.934 -0.824 1.00 0.00 H new ATOM 0 HE21 GLN B 72 79.081 -6.095 -2.886 1.00 0.00 H new ATOM 0 HE22 GLN B 72 80.036 -4.936 -3.816 1.00 0.00 H new ATOM 2563 N GLU B 73 75.998 -3.760 -5.052 1.00 0.00 N ATOM 2564 CA GLU B 73 76.528 -2.648 -5.885 1.00 0.00 C ATOM 2565 C GLU B 73 75.385 -1.697 -6.199 1.00 0.00 C ATOM 2566 O GLU B 73 75.555 -0.502 -6.249 1.00 0.00 O ATOM 2567 CB GLU B 73 77.121 -3.184 -7.174 1.00 0.00 C ATOM 2568 CG GLU B 73 78.081 -4.332 -6.855 1.00 0.00 C ATOM 2569 CD GLU B 73 78.847 -4.726 -8.118 1.00 0.00 C ATOM 2570 OE1 GLU B 73 79.257 -3.833 -8.840 1.00 0.00 O ATOM 2571 OE2 GLU B 73 79.002 -5.915 -8.345 1.00 0.00 O ATOM 0 H GLU B 73 75.850 -4.643 -5.540 1.00 0.00 H new ATOM 0 HA GLU B 73 77.315 -2.126 -5.341 1.00 0.00 H new ATOM 0 HB2 GLU B 73 76.327 -3.532 -7.835 1.00 0.00 H new ATOM 0 HB3 GLU B 73 77.649 -2.390 -7.702 1.00 0.00 H new ATOM 0 HG2 GLU B 73 78.779 -4.030 -6.074 1.00 0.00 H new ATOM 0 HG3 GLU B 73 77.526 -5.188 -6.472 1.00 0.00 H new ATOM 2578 N PHE B 74 74.215 -2.226 -6.407 1.00 0.00 N ATOM 2579 CA PHE B 74 73.050 -1.357 -6.702 1.00 0.00 C ATOM 2580 C PHE B 74 72.675 -0.580 -5.434 1.00 0.00 C ATOM 2581 O PHE B 74 72.220 0.535 -5.494 1.00 0.00 O ATOM 2582 CB PHE B 74 71.873 -2.233 -7.184 1.00 0.00 C ATOM 2583 CG PHE B 74 70.551 -1.548 -6.903 1.00 0.00 C ATOM 2584 CD1 PHE B 74 70.017 -1.592 -5.611 1.00 0.00 C ATOM 2585 CD2 PHE B 74 69.872 -0.862 -7.916 1.00 0.00 C ATOM 2586 CE1 PHE B 74 68.809 -0.953 -5.327 1.00 0.00 C ATOM 2587 CE2 PHE B 74 68.661 -0.219 -7.631 1.00 0.00 C ATOM 2588 CZ PHE B 74 68.132 -0.263 -6.337 1.00 0.00 C ATOM 0 H PHE B 74 74.016 -3.226 -6.385 1.00 0.00 H new ATOM 0 HA PHE B 74 73.294 -0.644 -7.489 1.00 0.00 H new ATOM 0 HB2 PHE B 74 71.969 -2.426 -8.252 1.00 0.00 H new ATOM 0 HB3 PHE B 74 71.902 -3.200 -6.682 1.00 0.00 H new ATOM 0 HD1 PHE B 74 70.541 -2.123 -4.830 1.00 0.00 H new ATOM 0 HD2 PHE B 74 70.281 -0.828 -8.915 1.00 0.00 H new ATOM 0 HE1 PHE B 74 68.398 -0.992 -4.329 1.00 0.00 H new ATOM 0 HE2 PHE B 74 68.135 0.311 -8.411 1.00 0.00 H new ATOM 0 HZ PHE B 74 67.200 0.236 -6.118 1.00 0.00 H new ATOM 2598 N VAL B 75 72.832 -1.180 -4.296 1.00 0.00 N ATOM 2599 CA VAL B 75 72.457 -0.488 -3.027 1.00 0.00 C ATOM 2600 C VAL B 75 73.482 0.587 -2.678 1.00 0.00 C ATOM 2601 O VAL B 75 73.144 1.649 -2.212 1.00 0.00 O ATOM 2602 CB VAL B 75 72.381 -1.525 -1.886 1.00 0.00 C ATOM 2603 CG1 VAL B 75 72.320 -0.830 -0.525 1.00 0.00 C ATOM 2604 CG2 VAL B 75 71.124 -2.380 -2.041 1.00 0.00 C ATOM 0 H VAL B 75 73.204 -2.123 -4.182 1.00 0.00 H new ATOM 0 HA VAL B 75 71.486 -0.010 -3.158 1.00 0.00 H new ATOM 0 HB VAL B 75 73.274 -2.147 -1.940 1.00 0.00 H new ATOM 0 HG11 VAL B 75 72.267 -1.580 0.264 1.00 0.00 H new ATOM 0 HG12 VAL B 75 73.213 -0.221 -0.387 1.00 0.00 H new ATOM 0 HG13 VAL B 75 71.436 -0.193 -0.481 1.00 0.00 H new ATOM 0 HG21 VAL B 75 71.078 -3.109 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL B 75 70.242 -1.740 -2.004 1.00 0.00 H new ATOM 0 HG23 VAL B 75 71.154 -2.901 -2.998 1.00 0.00 H new ATOM 2614 N VAL B 76 74.728 0.298 -2.854 1.00 0.00 N ATOM 2615 CA VAL B 76 75.778 1.281 -2.497 1.00 0.00 C ATOM 2616 C VAL B 76 75.755 2.457 -3.477 1.00 0.00 C ATOM 2617 O VAL B 76 75.900 3.600 -3.097 1.00 0.00 O ATOM 2618 CB VAL B 76 77.132 0.562 -2.536 1.00 0.00 C ATOM 2619 CG1 VAL B 76 78.274 1.561 -2.380 1.00 0.00 C ATOM 2620 CG2 VAL B 76 77.194 -0.457 -1.393 1.00 0.00 C ATOM 0 H VAL B 76 75.072 -0.584 -3.233 1.00 0.00 H new ATOM 0 HA VAL B 76 75.602 1.682 -1.499 1.00 0.00 H new ATOM 0 HB VAL B 76 77.235 0.057 -3.497 1.00 0.00 H new ATOM 0 HG11 VAL B 76 79.227 1.032 -2.410 1.00 0.00 H new ATOM 0 HG12 VAL B 76 78.236 2.287 -3.192 1.00 0.00 H new ATOM 0 HG13 VAL B 76 78.177 2.079 -1.426 1.00 0.00 H new ATOM 0 HG21 VAL B 76 78.155 -0.971 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL B 76 77.081 0.059 -0.439 1.00 0.00 H new ATOM 0 HG23 VAL B 76 76.390 -1.184 -1.510 1.00 0.00 H new ATOM 2630 N LEU B 77 75.588 2.171 -4.731 1.00 0.00 N ATOM 2631 CA LEU B 77 75.559 3.238 -5.772 1.00 0.00 C ATOM 2632 C LEU B 77 74.270 4.054 -5.660 1.00 0.00 C ATOM 2633 O LEU B 77 74.268 5.254 -5.828 1.00 0.00 O ATOM 2634 CB LEU B 77 75.634 2.569 -7.152 1.00 0.00 C ATOM 2635 CG LEU B 77 75.977 3.600 -8.257 1.00 0.00 C ATOM 2636 CD1 LEU B 77 76.666 2.881 -9.426 1.00 0.00 C ATOM 2637 CD2 LEU B 77 74.703 4.303 -8.773 1.00 0.00 C ATOM 0 H LEU B 77 75.467 1.224 -5.091 1.00 0.00 H new ATOM 0 HA LEU B 77 76.404 3.912 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU B 77 76.389 1.783 -7.137 1.00 0.00 H new ATOM 0 HB3 LEU B 77 74.681 2.091 -7.380 1.00 0.00 H new ATOM 0 HG LEU B 77 76.641 4.353 -7.832 1.00 0.00 H new ATOM 0 HD11 LEU B 77 76.909 3.603 -10.205 1.00 0.00 H new ATOM 0 HD12 LEU B 77 77.582 2.407 -9.073 1.00 0.00 H new ATOM 0 HD13 LEU B 77 75.997 2.121 -9.831 1.00 0.00 H new ATOM 0 HD21 LEU B 77 74.972 5.021 -9.547 1.00 0.00 H new ATOM 0 HD22 LEU B 77 74.021 3.561 -9.187 1.00 0.00 H new ATOM 0 HD23 LEU B 77 74.216 4.824 -7.949 1.00 0.00 H new ATOM 2649 N VAL B 78 73.172 3.410 -5.392 1.00 0.00 N ATOM 2650 CA VAL B 78 71.888 4.155 -5.282 1.00 0.00 C ATOM 2651 C VAL B 78 71.934 5.020 -4.027 1.00 0.00 C ATOM 2652 O VAL B 78 71.497 6.149 -4.029 1.00 0.00 O ATOM 2653 CB VAL B 78 70.692 3.194 -5.206 1.00 0.00 C ATOM 2654 CG1 VAL B 78 69.413 4.038 -5.045 1.00 0.00 C ATOM 2655 CG2 VAL B 78 70.588 2.348 -6.496 1.00 0.00 C ATOM 0 H VAL B 78 73.106 2.403 -5.244 1.00 0.00 H new ATOM 0 HA VAL B 78 71.761 4.776 -6.169 1.00 0.00 H new ATOM 0 HB VAL B 78 70.821 2.516 -4.362 1.00 0.00 H new ATOM 0 HG11 VAL B 78 68.547 3.379 -4.988 1.00 0.00 H new ATOM 0 HG12 VAL B 78 69.480 4.629 -4.131 1.00 0.00 H new ATOM 0 HG13 VAL B 78 69.307 4.704 -5.901 1.00 0.00 H new ATOM 0 HG21 VAL B 78 69.734 1.674 -6.421 1.00 0.00 H new ATOM 0 HG22 VAL B 78 70.456 3.007 -7.354 1.00 0.00 H new ATOM 0 HG23 VAL B 78 71.500 1.765 -6.623 1.00 0.00 H new ATOM 2665 N ALA B 79 72.480 4.505 -2.957 1.00 0.00 N ATOM 2666 CA ALA B 79 72.576 5.312 -1.714 1.00 0.00 C ATOM 2667 C ALA B 79 73.426 6.538 -2.027 1.00 0.00 C ATOM 2668 O ALA B 79 73.153 7.640 -1.593 1.00 0.00 O ATOM 2669 CB ALA B 79 73.231 4.476 -0.607 1.00 0.00 C ATOM 0 H ALA B 79 72.862 3.561 -2.894 1.00 0.00 H new ATOM 0 HA ALA B 79 71.588 5.617 -1.370 1.00 0.00 H new ATOM 0 HB1 ALA B 79 73.301 5.070 0.304 1.00 0.00 H new ATOM 0 HB2 ALA B 79 72.628 3.588 -0.416 1.00 0.00 H new ATOM 0 HB3 ALA B 79 74.230 4.175 -0.921 1.00 0.00 H new ATOM 2675 N ALA B 80 74.459 6.334 -2.795 1.00 0.00 N ATOM 2676 CA ALA B 80 75.356 7.450 -3.176 1.00 0.00 C ATOM 2677 C ALA B 80 74.541 8.512 -3.932 1.00 0.00 C ATOM 2678 O ALA B 80 74.720 9.696 -3.747 1.00 0.00 O ATOM 2679 CB ALA B 80 76.471 6.879 -4.061 1.00 0.00 C ATOM 0 H ALA B 80 74.720 5.426 -3.179 1.00 0.00 H new ATOM 0 HA ALA B 80 75.798 7.920 -2.298 1.00 0.00 H new ATOM 0 HB1 ALA B 80 77.147 7.681 -4.357 1.00 0.00 H new ATOM 0 HB2 ALA B 80 77.026 6.123 -3.505 1.00 0.00 H new ATOM 0 HB3 ALA B 80 76.033 6.427 -4.951 1.00 0.00 H new ATOM 2685 N LEU B 81 73.640 8.100 -4.776 1.00 0.00 N ATOM 2686 CA LEU B 81 72.816 9.091 -5.521 1.00 0.00 C ATOM 2687 C LEU B 81 71.950 9.863 -4.511 1.00 0.00 C ATOM 2688 O LEU B 81 71.719 11.047 -4.647 1.00 0.00 O ATOM 2689 CB LEU B 81 71.934 8.347 -6.545 1.00 0.00 C ATOM 2690 CG LEU B 81 71.651 9.236 -7.770 1.00 0.00 C ATOM 2691 CD1 LEU B 81 70.948 8.404 -8.850 1.00 0.00 C ATOM 2692 CD2 LEU B 81 70.760 10.423 -7.372 1.00 0.00 C ATOM 0 H LEU B 81 73.438 7.122 -4.983 1.00 0.00 H new ATOM 0 HA LEU B 81 73.450 9.796 -6.059 1.00 0.00 H new ATOM 0 HB2 LEU B 81 72.431 7.430 -6.862 1.00 0.00 H new ATOM 0 HB3 LEU B 81 70.994 8.054 -6.077 1.00 0.00 H new ATOM 0 HG LEU B 81 72.595 9.620 -8.157 1.00 0.00 H new ATOM 0 HD11 LEU B 81 70.746 9.031 -9.719 1.00 0.00 H new ATOM 0 HD12 LEU B 81 71.589 7.573 -9.144 1.00 0.00 H new ATOM 0 HD13 LEU B 81 70.008 8.016 -8.456 1.00 0.00 H new ATOM 0 HD21 LEU B 81 70.568 11.043 -8.247 1.00 0.00 H new ATOM 0 HD22 LEU B 81 69.815 10.052 -6.976 1.00 0.00 H new ATOM 0 HD23 LEU B 81 71.264 11.017 -6.610 1.00 0.00 H new ATOM 2704 N THR B 82 71.473 9.196 -3.494 1.00 0.00 N ATOM 2705 CA THR B 82 70.626 9.877 -2.478 1.00 0.00 C ATOM 2706 C THR B 82 71.409 11.052 -1.877 1.00 0.00 C ATOM 2707 O THR B 82 70.854 12.088 -1.569 1.00 0.00 O ATOM 2708 CB THR B 82 70.254 8.876 -1.376 1.00 0.00 C ATOM 2709 OG1 THR B 82 69.959 7.616 -1.965 1.00 0.00 O ATOM 2710 CG2 THR B 82 69.020 9.374 -0.624 1.00 0.00 C ATOM 0 H THR B 82 71.636 8.203 -3.325 1.00 0.00 H new ATOM 0 HA THR B 82 69.714 10.252 -2.943 1.00 0.00 H new ATOM 0 HB THR B 82 71.090 8.777 -0.683 1.00 0.00 H new ATOM 0 HG1 THR B 82 69.723 6.974 -1.263 1.00 0.00 H new ATOM 0 HG21 THR B 82 68.758 8.661 0.158 1.00 0.00 H new ATOM 0 HG22 THR B 82 69.235 10.343 -0.174 1.00 0.00 H new ATOM 0 HG23 THR B 82 68.186 9.473 -1.319 1.00 0.00 H new ATOM 2718 N VAL B 83 72.699 10.901 -1.727 1.00 0.00 N ATOM 2719 CA VAL B 83 73.528 12.009 -1.164 1.00 0.00 C ATOM 2720 C VAL B 83 73.397 13.225 -2.069 1.00 0.00 C ATOM 2721 O VAL B 83 73.288 14.348 -1.616 1.00 0.00 O ATOM 2722 CB VAL B 83 74.995 11.569 -1.149 1.00 0.00 C ATOM 2723 CG1 VAL B 83 75.910 12.755 -0.851 1.00 0.00 C ATOM 2724 CG2 VAL B 83 75.188 10.495 -0.090 1.00 0.00 C ATOM 0 H VAL B 83 73.216 10.056 -1.971 1.00 0.00 H new ATOM 0 HA VAL B 83 73.195 12.250 -0.154 1.00 0.00 H new ATOM 0 HB VAL B 83 75.253 11.171 -2.130 1.00 0.00 H new ATOM 0 HG11 VAL B 83 76.948 12.421 -0.845 1.00 0.00 H new ATOM 0 HG12 VAL B 83 75.779 13.518 -1.619 1.00 0.00 H new ATOM 0 HG13 VAL B 83 75.658 13.173 0.123 1.00 0.00 H new ATOM 0 HG21 VAL B 83 76.231 10.180 -0.077 1.00 0.00 H new ATOM 0 HG22 VAL B 83 74.918 10.895 0.887 1.00 0.00 H new ATOM 0 HG23 VAL B 83 74.553 9.639 -0.320 1.00 0.00 H new ATOM 2734 N ALA B 84 73.410 13.003 -3.345 1.00 0.00 N ATOM 2735 CA ALA B 84 73.294 14.136 -4.290 1.00 0.00 C ATOM 2736 C ALA B 84 71.885 14.710 -4.229 1.00 0.00 C ATOM 2737 O ALA B 84 71.656 15.826 -4.618 1.00 0.00 O ATOM 2738 CB ALA B 84 73.588 13.654 -5.704 1.00 0.00 C ATOM 0 H ALA B 84 73.496 12.083 -3.776 1.00 0.00 H new ATOM 0 HA ALA B 84 74.011 14.910 -4.016 1.00 0.00 H new ATOM 0 HB1 ALA B 84 73.502 14.490 -6.399 1.00 0.00 H new ATOM 0 HB2 ALA B 84 74.599 13.249 -5.747 1.00 0.00 H new ATOM 0 HB3 ALA B 84 72.874 12.878 -5.980 1.00 0.00 H new ATOM 2744 N CYS B 85 70.937 13.947 -3.758 1.00 0.00 N ATOM 2745 CA CYS B 85 69.540 14.432 -3.678 1.00 0.00 C ATOM 2746 C CYS B 85 68.998 14.072 -2.300 1.00 0.00 C ATOM 2747 O CYS B 85 67.902 13.572 -2.172 1.00 0.00 O ATOM 2748 CB CYS B 85 68.718 13.721 -4.745 1.00 0.00 C ATOM 2749 SG CYS B 85 69.083 14.440 -6.365 1.00 0.00 S ATOM 0 H CYS B 85 71.079 12.995 -3.421 1.00 0.00 H new ATOM 0 HA CYS B 85 69.490 15.510 -3.835 1.00 0.00 H new ATOM 0 HB2 CYS B 85 68.949 12.656 -4.748 1.00 0.00 H new ATOM 0 HB3 CYS B 85 67.655 13.816 -4.524 1.00 0.00 H new ATOM 0 HG CYS B 85 68.029 15.054 -6.815 1.00 0.00 H new ATOM 2755 N ASN B 86 69.755 14.312 -1.264 1.00 0.00 N ATOM 2756 CA ASN B 86 69.271 13.977 0.109 1.00 0.00 C ATOM 2757 C ASN B 86 68.041 14.827 0.432 1.00 0.00 C ATOM 2758 O ASN B 86 67.797 15.190 1.562 1.00 0.00 O ATOM 2759 CB ASN B 86 70.376 14.263 1.125 1.00 0.00 C ATOM 2760 CG ASN B 86 70.777 15.735 1.038 1.00 0.00 C ATOM 2761 OD1 ASN B 86 70.091 16.594 1.554 1.00 0.00 O ATOM 2762 ND2 ASN B 86 71.863 16.066 0.396 1.00 0.00 N ATOM 0 H ASN B 86 70.687 14.725 -1.307 1.00 0.00 H new ATOM 0 HA ASN B 86 69.006 12.921 0.156 1.00 0.00 H new ATOM 0 HB2 ASN B 86 70.030 14.028 2.131 1.00 0.00 H new ATOM 0 HB3 ASN B 86 71.239 13.627 0.928 1.00 0.00 H new ATOM 0 HD21 ASN B 86 72.136 17.046 0.327 1.00 0.00 H new ATOM 0 HD22 ASN B 86 72.439 15.344 -0.037 1.00 0.00 H new