USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 911 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 GLN : amide:sc= -2.22! C(o=-2.2!,f=-1.9!) USER MOD Set 1.2: A 21 LYS NZ :NH3+ 163:sc=-0.00908 (180deg=-0.096) USER MOD Set 2.1: A 18 GLN : amide:sc= -0.26 X(o=-0.26,f=0) USER MOD Set 2.2: B 20 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.01 (180deg=0) USER MOD Single : A 5 SER OG : rot 61:sc= 0.0437 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0312 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 87:sc= 0.275 USER MOD Single : A 22 GLN :FLIP amide:sc= -0.712 F(o=-1.2,f=-0.71) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.523 F(o=-2!,f=-0.52) USER MOD Single : A 35 MET CE :methyl 138:sc= -4.94! (180deg=-8.92!) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -5.89! C(o=-7.1!,f=-5.9!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.556 USER MOD Single : A 42 LYS NZ :NH3+ 143:sc= 1.29 (180deg=1) USER MOD Single : A 44 THR OG1 : rot 86:sc= 1.22 USER MOD Single : A 46 MET CE :methyl -155:sc= 0 (180deg=-0.113) USER MOD Single : A 52 ASN : amide:sc= -4.62! C(o=-4.6!,f=-7.5!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.0878 X(o=-0.088,f=-0.48) USER MOD Single : A 58 MET CE :methyl -169:sc= -1.31 (180deg=-1.47) USER MOD Single : A 61 SER OG : rot 180:sc= 0.00118 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -5:sc= 0.0361 USER MOD Single : A 68 LYS NZ :NH3+ -128:sc= 0.899 (180deg=-2.11!) USER MOD Single : A 77 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.89) USER MOD Single : A 79 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-2.9!) USER MOD Single : A 80 GLN : amide:sc= -0.396 X(o=-0.4,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -3.5! C(o=-3.5!,f=-4.9!) USER MOD Single : A 87 LYS NZ :NH3+ -152:sc= -0.472 (180deg=-1.85!) USER MOD Single : A 90 ASN : amide:sc= -0.768 X(o=-0.77,f=-0.74) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.396 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 VAL N :NH3+ 171:sc= -0.316 (180deg=-0.411) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ -127:sc= -0.618 (180deg=-3.65!) USER MOD Single : B 7 SER OG : rot -110:sc= -0.422 USER MOD Single : B 9 ASN :FLIP amide:sc= 0.575 F(o=-0.92,f=0.58) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot 141:sc= 1.09 USER MOD Single : B 18 TYR OH : rot 165:sc= -0.352 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.250 -22.121 -12.926 1.00 0.00 N ATOM 2 CA GLY A 1 3.664 -21.060 -13.885 1.00 0.00 C ATOM 3 C GLY A 1 4.642 -20.071 -13.273 1.00 0.00 C ATOM 4 O GLY A 1 4.528 -19.736 -12.094 1.00 0.00 O ATOM 0 H1 GLY A 1 2.218 -22.245 -12.969 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.717 -23.016 -13.176 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.525 -21.844 -11.962 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.121 -21.523 -14.760 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.781 -20.524 -14.233 1.00 0.00 H new ATOM 10 N PRO A 2 5.624 -19.586 -14.052 1.00 0.00 N ATOM 11 CA PRO A 2 6.620 -18.632 -13.556 1.00 0.00 C ATOM 12 C PRO A 2 6.018 -17.265 -13.246 1.00 0.00 C ATOM 13 O PRO A 2 5.932 -16.867 -12.083 1.00 0.00 O ATOM 14 CB PRO A 2 7.634 -18.529 -14.699 1.00 0.00 C ATOM 15 CG PRO A 2 6.911 -18.981 -15.923 1.00 0.00 C ATOM 16 CD PRO A 2 5.840 -19.936 -15.468 1.00 0.00 C ATOM 0 HA PRO A 2 7.059 -18.965 -12.616 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.994 -17.506 -14.812 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.506 -19.154 -14.506 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.474 -18.132 -16.449 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.595 -19.469 -16.618 1.00 0.00 H new ATOM 0 HD2 PRO A 2 4.927 -19.818 -16.051 1.00 0.00 H new ATOM 0 HD3 PRO A 2 6.157 -20.973 -15.578 1.00 0.00 H new ATOM 24 N LEU A 3 5.603 -16.545 -14.285 1.00 0.00 N ATOM 25 CA LEU A 3 5.012 -15.221 -14.110 1.00 0.00 C ATOM 26 C LEU A 3 3.552 -15.325 -13.672 1.00 0.00 C ATOM 27 O LEU A 3 2.666 -14.723 -14.281 1.00 0.00 O ATOM 28 CB LEU A 3 5.109 -14.418 -15.409 1.00 0.00 C ATOM 29 CG LEU A 3 6.438 -13.694 -15.630 1.00 0.00 C ATOM 30 CD1 LEU A 3 6.646 -13.406 -17.109 1.00 0.00 C ATOM 31 CD2 LEU A 3 6.488 -12.404 -14.820 1.00 0.00 C ATOM 0 H LEU A 3 5.665 -16.855 -15.255 1.00 0.00 H new ATOM 0 HA LEU A 3 5.571 -14.706 -13.329 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.937 -15.092 -16.248 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.306 -13.681 -15.423 1.00 0.00 H new ATOM 0 HG LEU A 3 7.245 -14.343 -15.288 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.596 -12.891 -17.249 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.657 -14.344 -17.664 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.835 -12.777 -17.475 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.441 -11.904 -14.991 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.674 -11.749 -15.129 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.385 -12.636 -13.760 1.00 0.00 H new ATOM 43 N GLY A 4 3.307 -16.084 -12.608 1.00 0.00 N ATOM 44 CA GLY A 4 1.956 -16.244 -12.106 1.00 0.00 C ATOM 45 C GLY A 4 1.724 -15.460 -10.832 1.00 0.00 C ATOM 46 O GLY A 4 1.260 -16.005 -9.831 1.00 0.00 O ATOM 0 H GLY A 4 4.021 -16.591 -12.085 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.246 -15.917 -12.866 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.761 -17.300 -11.921 1.00 0.00 H new ATOM 50 N SER A 5 2.052 -14.174 -10.873 1.00 0.00 N ATOM 51 CA SER A 5 1.886 -13.300 -9.720 1.00 0.00 C ATOM 52 C SER A 5 0.576 -12.521 -9.815 1.00 0.00 C ATOM 53 O SER A 5 -0.119 -12.588 -10.831 1.00 0.00 O ATOM 54 CB SER A 5 3.069 -12.334 -9.624 1.00 0.00 C ATOM 55 OG SER A 5 3.718 -12.199 -10.877 1.00 0.00 O ATOM 0 H SER A 5 2.436 -13.712 -11.697 1.00 0.00 H new ATOM 0 HA SER A 5 1.853 -13.915 -8.821 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.720 -11.359 -9.284 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.779 -12.696 -8.880 1.00 0.00 H new ATOM 0 HG SER A 5 3.087 -11.840 -11.535 1.00 0.00 H new ATOM 61 N PRO A 6 0.214 -11.771 -8.760 1.00 0.00 N ATOM 62 CA PRO A 6 -1.023 -10.983 -8.739 1.00 0.00 C ATOM 63 C PRO A 6 -1.212 -10.166 -10.017 1.00 0.00 C ATOM 64 O PRO A 6 -0.316 -9.430 -10.433 1.00 0.00 O ATOM 65 CB PRO A 6 -0.830 -10.066 -7.532 1.00 0.00 C ATOM 66 CG PRO A 6 0.056 -10.840 -6.617 1.00 0.00 C ATOM 67 CD PRO A 6 0.979 -11.631 -7.503 1.00 0.00 C ATOM 0 HA PRO A 6 -1.912 -11.611 -8.675 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.373 -9.119 -7.821 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -1.782 -9.829 -7.057 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.619 -10.174 -5.963 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.528 -11.499 -5.974 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.924 -11.112 -7.664 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.219 -12.602 -7.069 1.00 0.00 H new ATOM 75 N LEU A 7 -2.383 -10.303 -10.638 1.00 0.00 N ATOM 76 CA LEU A 7 -2.688 -9.581 -11.869 1.00 0.00 C ATOM 77 C LEU A 7 -3.661 -8.433 -11.608 1.00 0.00 C ATOM 78 O LEU A 7 -4.686 -8.606 -10.944 1.00 0.00 O ATOM 79 CB LEU A 7 -3.275 -10.532 -12.917 1.00 0.00 C ATOM 80 CG LEU A 7 -2.462 -10.669 -14.209 1.00 0.00 C ATOM 81 CD1 LEU A 7 -2.137 -9.300 -14.791 1.00 0.00 C ATOM 82 CD2 LEU A 7 -1.186 -11.464 -13.958 1.00 0.00 C ATOM 0 H LEU A 7 -3.135 -10.908 -10.307 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.756 -9.163 -12.249 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.381 -11.520 -12.468 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.277 -10.189 -13.173 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.066 -11.212 -14.936 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.560 -9.422 -15.707 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.063 -8.770 -15.013 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.555 -8.727 -14.069 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.622 -11.550 -14.887 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.579 -10.952 -13.212 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.443 -12.459 -13.596 1.00 0.00 H new ATOM 94 N THR A 8 -3.315 -7.251 -12.103 1.00 0.00 N ATOM 95 CA THR A 8 -4.130 -6.063 -11.885 1.00 0.00 C ATOM 96 C THR A 8 -5.218 -5.937 -12.936 1.00 0.00 C ATOM 97 O THR A 8 -6.349 -5.565 -12.618 1.00 0.00 O ATOM 98 CB THR A 8 -3.245 -4.813 -11.901 1.00 0.00 C ATOM 99 OG1 THR A 8 -2.915 -4.451 -13.231 1.00 0.00 O ATOM 100 CG2 THR A 8 -1.947 -4.985 -11.138 1.00 0.00 C ATOM 0 H THR A 8 -2.475 -7.090 -12.658 1.00 0.00 H new ATOM 0 HA THR A 8 -4.610 -6.159 -10.911 1.00 0.00 H new ATOM 0 HB THR A 8 -3.834 -4.037 -11.412 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.351 -3.650 -13.222 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.369 -4.062 -11.190 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.166 -5.218 -10.096 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.371 -5.799 -11.578 1.00 0.00 H new ATOM 108 N ALA A 9 -4.900 -6.268 -14.177 1.00 0.00 N ATOM 109 CA ALA A 9 -5.897 -6.201 -15.233 1.00 0.00 C ATOM 110 C ALA A 9 -7.063 -7.116 -14.881 1.00 0.00 C ATOM 111 O ALA A 9 -8.177 -6.654 -14.628 1.00 0.00 O ATOM 112 CB ALA A 9 -5.290 -6.581 -16.578 1.00 0.00 C ATOM 0 H ALA A 9 -3.976 -6.581 -14.475 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.261 -5.177 -15.318 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.055 -6.523 -17.352 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.479 -5.894 -16.818 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.901 -7.598 -16.527 1.00 0.00 H new ATOM 118 N SER A 10 -6.805 -8.420 -14.891 1.00 0.00 N ATOM 119 CA SER A 10 -7.834 -9.412 -14.595 1.00 0.00 C ATOM 120 C SER A 10 -8.473 -9.194 -13.222 1.00 0.00 C ATOM 121 O SER A 10 -9.622 -9.587 -12.999 1.00 0.00 O ATOM 122 CB SER A 10 -7.236 -10.818 -14.666 1.00 0.00 C ATOM 123 OG SER A 10 -8.251 -11.806 -14.669 1.00 0.00 O ATOM 0 H SER A 10 -5.889 -8.816 -15.102 1.00 0.00 H new ATOM 0 HA SER A 10 -8.618 -9.300 -15.344 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.629 -10.913 -15.567 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.572 -10.977 -13.816 1.00 0.00 H new ATOM 0 HG SER A 10 -7.842 -12.695 -14.716 1.00 0.00 H new ATOM 129 N MET A 11 -7.750 -8.553 -12.302 1.00 0.00 N ATOM 130 CA MET A 11 -8.307 -8.310 -10.977 1.00 0.00 C ATOM 131 C MET A 11 -9.525 -7.407 -11.100 1.00 0.00 C ATOM 132 O MET A 11 -10.555 -7.644 -10.469 1.00 0.00 O ATOM 133 CB MET A 11 -7.263 -7.695 -10.041 1.00 0.00 C ATOM 134 CG MET A 11 -6.708 -8.688 -9.031 1.00 0.00 C ATOM 135 SD MET A 11 -7.645 -8.701 -7.491 1.00 0.00 S ATOM 136 CE MET A 11 -6.341 -8.993 -6.300 1.00 0.00 C ATOM 0 H MET A 11 -6.803 -8.202 -12.446 1.00 0.00 H new ATOM 0 HA MET A 11 -8.610 -9.262 -10.542 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.442 -7.294 -10.636 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.711 -6.856 -9.508 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.716 -9.687 -9.466 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.668 -8.442 -8.818 1.00 0.00 H new ATOM 0 HE1 MET A 11 -6.766 -9.027 -5.297 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.853 -9.942 -6.520 1.00 0.00 H new ATOM 0 HE3 MET A 11 -5.609 -8.187 -6.357 1.00 0.00 H new ATOM 146 N LEU A 12 -9.413 -6.391 -11.938 1.00 0.00 N ATOM 147 CA LEU A 12 -10.519 -5.477 -12.169 1.00 0.00 C ATOM 148 C LEU A 12 -11.735 -6.251 -12.675 1.00 0.00 C ATOM 149 O LEU A 12 -12.805 -6.211 -12.068 1.00 0.00 O ATOM 150 CB LEU A 12 -10.121 -4.389 -13.172 1.00 0.00 C ATOM 151 CG LEU A 12 -10.640 -2.983 -12.854 1.00 0.00 C ATOM 152 CD1 LEU A 12 -12.043 -2.792 -13.406 1.00 0.00 C ATOM 153 CD2 LEU A 12 -10.615 -2.738 -11.354 1.00 0.00 C ATOM 0 H LEU A 12 -8.569 -6.178 -12.469 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.775 -4.992 -11.227 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.033 -4.352 -13.230 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.483 -4.678 -14.159 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.985 -2.256 -13.334 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.393 -1.787 -13.170 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.030 -2.927 -14.488 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.713 -3.525 -12.957 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.986 -1.735 -11.143 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.248 -3.472 -10.855 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.593 -2.831 -10.987 1.00 0.00 H new ATOM 165 N ALA A 13 -11.553 -6.978 -13.775 1.00 0.00 N ATOM 166 CA ALA A 13 -12.619 -7.794 -14.353 1.00 0.00 C ATOM 167 C ALA A 13 -12.920 -9.018 -13.481 1.00 0.00 C ATOM 168 O ALA A 13 -13.670 -9.907 -13.881 1.00 0.00 O ATOM 169 CB ALA A 13 -12.231 -8.241 -15.748 1.00 0.00 C ATOM 0 H ALA A 13 -10.672 -7.019 -14.287 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.520 -7.183 -14.403 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.031 -8.848 -16.171 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.067 -7.367 -16.378 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.315 -8.830 -15.700 1.00 0.00 H new ATOM 175 N SER A 14 -12.339 -9.045 -12.287 1.00 0.00 N ATOM 176 CA SER A 14 -12.551 -10.142 -11.349 1.00 0.00 C ATOM 177 C SER A 14 -13.556 -9.762 -10.254 1.00 0.00 C ATOM 178 O SER A 14 -13.734 -10.504 -9.288 1.00 0.00 O ATOM 179 CB SER A 14 -11.223 -10.566 -10.717 1.00 0.00 C ATOM 180 OG SER A 14 -10.696 -11.713 -11.360 1.00 0.00 O ATOM 0 H SER A 14 -11.714 -8.316 -11.944 1.00 0.00 H new ATOM 0 HA SER A 14 -12.966 -10.980 -11.910 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.507 -9.747 -10.783 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.371 -10.775 -9.658 1.00 0.00 H new ATOM 0 HG SER A 14 -10.155 -11.437 -12.129 1.00 0.00 H new ATOM 186 N ALA A 15 -14.221 -8.613 -10.408 1.00 0.00 N ATOM 187 CA ALA A 15 -15.208 -8.160 -9.433 1.00 0.00 C ATOM 188 C ALA A 15 -16.389 -7.487 -10.129 1.00 0.00 C ATOM 189 O ALA A 15 -16.242 -6.946 -11.225 1.00 0.00 O ATOM 190 CB ALA A 15 -14.564 -7.209 -8.445 1.00 0.00 C ATOM 0 H ALA A 15 -14.091 -7.983 -11.199 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.584 -9.029 -8.892 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.309 -6.877 -7.722 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.754 -7.719 -7.924 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.165 -6.346 -8.978 1.00 0.00 H new ATOM 196 N PRO A 16 -17.586 -7.530 -9.503 1.00 0.00 N ATOM 197 CA PRO A 16 -18.805 -6.940 -10.055 1.00 0.00 C ATOM 198 C PRO A 16 -18.554 -5.611 -10.775 1.00 0.00 C ATOM 199 O PRO A 16 -17.454 -5.064 -10.730 1.00 0.00 O ATOM 200 CB PRO A 16 -19.687 -6.714 -8.825 1.00 0.00 C ATOM 201 CG PRO A 16 -19.134 -7.578 -7.731 1.00 0.00 C ATOM 202 CD PRO A 16 -17.840 -8.185 -8.213 1.00 0.00 C ATOM 0 HA PRO A 16 -19.251 -7.588 -10.809 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -19.678 -5.665 -8.531 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -20.723 -6.977 -9.039 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.964 -6.988 -6.831 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -19.846 -8.361 -7.469 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -17.029 -8.002 -7.508 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -17.926 -9.266 -8.326 1.00 0.00 H new ATOM 210 N PRO A 17 -19.582 -5.073 -11.452 1.00 0.00 N ATOM 211 CA PRO A 17 -19.467 -3.811 -12.189 1.00 0.00 C ATOM 212 C PRO A 17 -18.820 -2.696 -11.373 1.00 0.00 C ATOM 213 O PRO A 17 -17.706 -2.269 -11.666 1.00 0.00 O ATOM 214 CB PRO A 17 -20.916 -3.455 -12.521 1.00 0.00 C ATOM 215 CG PRO A 17 -21.642 -4.756 -12.534 1.00 0.00 C ATOM 216 CD PRO A 17 -20.934 -5.654 -11.552 1.00 0.00 C ATOM 0 HA PRO A 17 -18.825 -3.921 -13.063 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -21.336 -2.777 -11.778 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -20.988 -2.954 -13.486 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -22.686 -4.620 -12.252 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.636 -5.193 -13.533 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -21.437 -5.664 -10.585 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.901 -6.685 -11.905 1.00 0.00 H new ATOM 224 N GLN A 18 -19.533 -2.222 -10.359 1.00 0.00 N ATOM 225 CA GLN A 18 -19.041 -1.148 -9.508 1.00 0.00 C ATOM 226 C GLN A 18 -17.951 -1.637 -8.567 1.00 0.00 C ATOM 227 O GLN A 18 -17.322 -0.836 -7.876 1.00 0.00 O ATOM 228 CB GLN A 18 -20.190 -0.536 -8.710 1.00 0.00 C ATOM 229 CG GLN A 18 -21.041 -1.567 -7.986 1.00 0.00 C ATOM 230 CD GLN A 18 -22.464 -1.621 -8.507 1.00 0.00 C ATOM 231 OE1 GLN A 18 -23.289 -0.764 -8.183 1.00 0.00 O ATOM 232 NE2 GLN A 18 -22.761 -2.634 -9.312 1.00 0.00 N ATOM 0 H GLN A 18 -20.459 -2.567 -10.106 1.00 0.00 H new ATOM 0 HA GLN A 18 -18.608 -0.384 -10.154 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.783 0.164 -7.981 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -20.825 0.039 -9.384 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -20.582 -2.550 -8.092 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -21.057 -1.336 -6.921 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -22.046 -3.320 -9.553 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -23.704 -2.726 -9.689 1.00 0.00 H new ATOM 241 N GLU A 19 -17.703 -2.941 -8.555 1.00 0.00 N ATOM 242 CA GLU A 19 -16.655 -3.490 -7.710 1.00 0.00 C ATOM 243 C GLU A 19 -15.356 -3.553 -8.496 1.00 0.00 C ATOM 244 O GLU A 19 -14.591 -4.509 -8.390 1.00 0.00 O ATOM 245 CB GLU A 19 -17.037 -4.878 -7.181 1.00 0.00 C ATOM 246 CG GLU A 19 -17.961 -4.826 -5.968 1.00 0.00 C ATOM 247 CD GLU A 19 -17.478 -5.687 -4.815 1.00 0.00 C ATOM 248 OE1 GLU A 19 -16.288 -6.065 -4.810 1.00 0.00 O ATOM 249 OE2 GLU A 19 -18.291 -5.978 -3.911 1.00 0.00 O ATOM 0 H GLU A 19 -18.207 -3.629 -9.114 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.523 -2.838 -6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.524 -5.441 -7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -16.130 -5.421 -6.915 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.050 -3.793 -5.630 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.958 -5.152 -6.264 1.00 0.00 H new ATOM 256 N GLN A 20 -15.094 -2.494 -9.250 1.00 0.00 N ATOM 257 CA GLN A 20 -13.864 -2.396 -10.016 1.00 0.00 C ATOM 258 C GLN A 20 -12.678 -2.217 -9.078 1.00 0.00 C ATOM 259 O GLN A 20 -11.915 -3.148 -8.818 1.00 0.00 O ATOM 260 CB GLN A 20 -13.921 -1.232 -11.016 1.00 0.00 C ATOM 261 CG GLN A 20 -15.285 -1.012 -11.639 1.00 0.00 C ATOM 262 CD GLN A 20 -15.256 0.064 -12.706 1.00 0.00 C ATOM 263 OE1 GLN A 20 -15.826 -0.097 -13.786 1.00 0.00 O ATOM 264 NE2 GLN A 20 -14.584 1.171 -12.407 1.00 0.00 N ATOM 0 H GLN A 20 -15.718 -1.693 -9.346 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.744 -3.321 -10.580 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.614 -0.317 -10.509 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.197 -1.415 -11.810 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.639 -1.946 -12.076 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.997 -0.733 -10.863 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.127 1.261 -11.500 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.525 1.931 -13.085 1.00 0.00 H new ATOM 273 N LYS A 21 -12.550 -0.995 -8.570 1.00 0.00 N ATOM 274 CA LYS A 21 -11.479 -0.631 -7.646 1.00 0.00 C ATOM 275 C LYS A 21 -11.789 -1.083 -6.217 1.00 0.00 C ATOM 276 O LYS A 21 -11.215 -0.560 -5.263 1.00 0.00 O ATOM 277 CB LYS A 21 -11.220 0.883 -7.670 1.00 0.00 C ATOM 278 CG LYS A 21 -11.806 1.602 -8.872 1.00 0.00 C ATOM 279 CD LYS A 21 -10.748 2.383 -9.631 1.00 0.00 C ATOM 280 CE LYS A 21 -10.299 1.632 -10.875 1.00 0.00 C ATOM 281 NZ LYS A 21 -11.341 1.645 -11.938 1.00 0.00 N ATOM 0 H LYS A 21 -13.186 -0.228 -8.787 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.580 -1.148 -7.981 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.632 1.324 -6.762 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.144 1.055 -7.648 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.271 0.876 -9.539 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.592 2.281 -8.542 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.145 3.358 -9.915 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.891 2.564 -8.983 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.383 2.081 -11.259 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.063 0.601 -10.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.911 1.388 -12.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.087 0.960 -11.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.755 2.597 -12.007 1.00 0.00 H new ATOM 295 N GLN A 22 -12.697 -2.044 -6.062 1.00 0.00 N ATOM 296 CA GLN A 22 -13.069 -2.523 -4.728 1.00 0.00 C ATOM 297 C GLN A 22 -11.916 -3.248 -4.051 1.00 0.00 C ATOM 298 O GLN A 22 -11.507 -2.879 -2.950 1.00 0.00 O ATOM 299 CB GLN A 22 -14.294 -3.438 -4.784 1.00 0.00 C ATOM 300 CG GLN A 22 -15.610 -2.701 -4.604 1.00 0.00 C ATOM 301 CD GLN A 22 -16.143 -2.764 -3.183 1.00 0.00 C ATOM 302 OE1 GLN A 22 -15.281 -2.508 -2.208 1.00 0.00 O flip ATOM 303 NE2 GLN A 22 -17.324 -3.040 -2.967 1.00 0.00 N flip ATOM 0 H GLN A 22 -13.185 -2.503 -6.831 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.318 -1.642 -4.137 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.306 -3.958 -5.742 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -14.204 -4.200 -4.009 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.476 -1.657 -4.889 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.351 -3.124 -5.282 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -17.954 -3.230 -3.746 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -17.672 -3.078 -2.009 1.00 0.00 H new ATOM 312 N MET A 23 -11.393 -4.282 -4.699 1.00 0.00 N ATOM 313 CA MET A 23 -10.292 -5.041 -4.134 1.00 0.00 C ATOM 314 C MET A 23 -9.034 -4.175 -4.078 1.00 0.00 C ATOM 315 O MET A 23 -8.820 -3.459 -3.105 1.00 0.00 O ATOM 316 CB MET A 23 -10.057 -6.320 -4.949 1.00 0.00 C ATOM 317 CG MET A 23 -11.315 -7.155 -5.136 1.00 0.00 C ATOM 318 SD MET A 23 -11.389 -8.567 -4.017 1.00 0.00 S ATOM 319 CE MET A 23 -13.104 -9.054 -4.199 1.00 0.00 C ATOM 0 H MET A 23 -11.713 -4.610 -5.610 1.00 0.00 H new ATOM 0 HA MET A 23 -10.543 -5.336 -3.115 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.659 -6.051 -5.928 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.299 -6.925 -4.452 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.190 -6.525 -4.977 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.360 -7.510 -6.165 1.00 0.00 H new ATOM 0 HE1 MET A 23 -13.306 -9.918 -3.567 1.00 0.00 H new ATOM 0 HE2 MET A 23 -13.750 -8.228 -3.902 1.00 0.00 H new ATOM 0 HE3 MET A 23 -13.300 -9.312 -5.240 1.00 0.00 H new ATOM 329 N LEU A 24 -8.205 -4.236 -5.119 1.00 0.00 N ATOM 330 CA LEU A 24 -6.974 -3.441 -5.173 1.00 0.00 C ATOM 331 C LEU A 24 -7.274 -1.941 -5.171 1.00 0.00 C ATOM 332 O LEU A 24 -6.901 -1.252 -6.120 1.00 0.00 O ATOM 333 CB LEU A 24 -6.147 -3.769 -6.434 1.00 0.00 C ATOM 334 CG LEU A 24 -6.638 -4.928 -7.303 1.00 0.00 C ATOM 335 CD1 LEU A 24 -7.737 -4.453 -8.241 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.481 -5.521 -8.095 1.00 0.00 C ATOM 0 H LEU A 24 -8.361 -4.826 -5.936 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.402 -3.699 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.106 -2.874 -7.055 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.126 -3.988 -6.122 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.046 -5.703 -6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.078 -5.287 -8.854 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.572 -4.067 -7.657 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.350 -3.664 -8.885 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.845 -6.345 -8.709 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.048 -4.754 -8.737 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.720 -5.890 -7.407 1.00 0.00 H new ATOM 348 N GLY A 25 -7.930 -1.418 -4.126 1.00 0.00 N ATOM 349 CA GLY A 25 -8.234 0.005 -4.098 1.00 0.00 C ATOM 350 C GLY A 25 -8.350 0.590 -5.496 1.00 0.00 C ATOM 351 O GLY A 25 -8.859 -0.068 -6.405 1.00 0.00 O ATOM 0 H GLY A 25 -8.249 -1.947 -3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.168 0.166 -3.559 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.454 0.532 -3.548 1.00 0.00 H new ATOM 355 N GLU A 26 -7.853 1.806 -5.681 1.00 0.00 N ATOM 356 CA GLU A 26 -7.877 2.437 -6.993 1.00 0.00 C ATOM 357 C GLU A 26 -6.831 1.799 -7.908 1.00 0.00 C ATOM 358 O GLU A 26 -7.137 0.916 -8.709 1.00 0.00 O ATOM 359 CB GLU A 26 -7.649 3.956 -6.908 1.00 0.00 C ATOM 360 CG GLU A 26 -7.048 4.429 -5.597 1.00 0.00 C ATOM 361 CD GLU A 26 -8.109 4.732 -4.567 1.00 0.00 C ATOM 362 OE1 GLU A 26 -8.725 3.777 -4.050 1.00 0.00 O ATOM 363 OE2 GLU A 26 -8.337 5.927 -4.289 1.00 0.00 O ATOM 0 H GLU A 26 -7.431 2.372 -4.944 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.870 2.277 -7.412 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.993 4.259 -7.724 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.602 4.463 -7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.374 3.664 -5.210 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.449 5.322 -5.774 1.00 0.00 H new ATOM 370 N ARG A 27 -5.595 2.290 -7.802 1.00 0.00 N ATOM 371 CA ARG A 27 -4.501 1.805 -8.646 1.00 0.00 C ATOM 372 C ARG A 27 -3.154 1.756 -7.924 1.00 0.00 C ATOM 373 O ARG A 27 -2.120 1.613 -8.570 1.00 0.00 O ATOM 374 CB ARG A 27 -4.352 2.697 -9.887 1.00 0.00 C ATOM 375 CG ARG A 27 -5.652 3.327 -10.370 1.00 0.00 C ATOM 376 CD ARG A 27 -6.441 2.374 -11.249 1.00 0.00 C ATOM 377 NE ARG A 27 -6.245 2.651 -12.671 1.00 0.00 N ATOM 378 CZ ARG A 27 -6.732 1.889 -13.645 1.00 0.00 C ATOM 379 NH1 ARG A 27 -7.446 0.808 -13.358 1.00 0.00 N ATOM 380 NH2 ARG A 27 -6.507 2.209 -14.913 1.00 0.00 N ATOM 0 H ARG A 27 -5.327 3.021 -7.143 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.768 0.786 -8.924 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.639 3.491 -9.665 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.927 2.104 -10.697 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.258 3.617 -9.511 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.431 4.238 -10.926 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.139 1.349 -11.034 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.501 2.451 -11.007 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.704 3.476 -12.930 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.624 0.558 -12.385 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.817 0.227 -14.110 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.960 3.040 -15.140 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.881 1.624 -15.661 1.00 0.00 H new ATOM 394 N LEU A 28 -3.144 1.865 -6.602 1.00 0.00 N ATOM 395 CA LEU A 28 -1.880 1.825 -5.866 1.00 0.00 C ATOM 396 C LEU A 28 -1.385 0.401 -5.666 1.00 0.00 C ATOM 397 O LEU A 28 -0.200 0.127 -5.844 1.00 0.00 O ATOM 398 CB LEU A 28 -2.014 2.532 -4.526 1.00 0.00 C ATOM 399 CG LEU A 28 -2.773 3.845 -4.600 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.460 4.129 -3.287 1.00 0.00 C ATOM 401 CD2 LEU A 28 -1.845 4.983 -4.997 1.00 0.00 C ATOM 0 H LEU A 28 -3.976 1.980 -6.024 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.139 2.350 -6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.521 1.869 -3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.019 2.720 -4.124 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.540 3.761 -5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.000 5.073 -3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.161 3.326 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.716 4.193 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.410 5.914 -5.044 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.049 5.078 -4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.410 4.773 -5.974 1.00 0.00 H new ATOM 413 N PHE A 29 -2.292 -0.509 -5.322 1.00 0.00 N ATOM 414 CA PHE A 29 -1.924 -1.910 -5.126 1.00 0.00 C ATOM 415 C PHE A 29 -1.065 -2.391 -6.297 1.00 0.00 C ATOM 416 O PHE A 29 -0.003 -2.971 -6.093 1.00 0.00 O ATOM 417 CB PHE A 29 -3.185 -2.776 -4.991 1.00 0.00 C ATOM 418 CG PHE A 29 -3.037 -4.038 -4.165 1.00 0.00 C ATOM 419 CD1 PHE A 29 -1.987 -4.210 -3.275 1.00 0.00 C ATOM 420 CD2 PHE A 29 -3.968 -5.064 -4.286 1.00 0.00 C ATOM 421 CE1 PHE A 29 -1.876 -5.379 -2.537 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.853 -6.225 -3.552 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.808 -6.383 -2.678 1.00 0.00 C ATOM 0 H PHE A 29 -3.280 -0.305 -5.174 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.345 -2.001 -4.207 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.975 -2.167 -4.550 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.518 -3.056 -5.990 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.251 -3.429 -3.156 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.797 -4.949 -4.968 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.054 -5.503 -1.848 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.586 -7.010 -3.665 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.716 -7.292 -2.102 1.00 0.00 H new ATOM 433 N PRO A 30 -1.505 -2.125 -7.541 1.00 0.00 N ATOM 434 CA PRO A 30 -0.758 -2.512 -8.745 1.00 0.00 C ATOM 435 C PRO A 30 0.636 -1.895 -8.776 1.00 0.00 C ATOM 436 O PRO A 30 1.622 -2.563 -9.082 1.00 0.00 O ATOM 437 CB PRO A 30 -1.584 -1.933 -9.898 1.00 0.00 C ATOM 438 CG PRO A 30 -2.938 -1.672 -9.336 1.00 0.00 C ATOM 439 CD PRO A 30 -2.748 -1.409 -7.871 1.00 0.00 C ATOM 0 HA PRO A 30 -0.620 -3.592 -8.793 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.135 -1.016 -10.278 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.635 -2.633 -10.732 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.403 -0.817 -9.826 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.595 -2.527 -9.495 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.661 -0.342 -7.665 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.590 -1.780 -7.286 1.00 0.00 H new ATOM 447 N LEU A 31 0.690 -0.602 -8.484 1.00 0.00 N ATOM 448 CA LEU A 31 1.948 0.144 -8.503 1.00 0.00 C ATOM 449 C LEU A 31 2.856 -0.269 -7.350 1.00 0.00 C ATOM 450 O LEU A 31 4.054 -0.526 -7.523 1.00 0.00 O ATOM 451 CB LEU A 31 1.688 1.647 -8.419 1.00 0.00 C ATOM 452 CG LEU A 31 0.480 2.162 -9.207 1.00 0.00 C ATOM 453 CD1 LEU A 31 0.120 3.575 -8.774 1.00 0.00 C ATOM 454 CD2 LEU A 31 0.755 2.116 -10.697 1.00 0.00 C ATOM 0 H LEU A 31 -0.125 -0.043 -8.230 1.00 0.00 H new ATOM 0 HA LEU A 31 2.445 -0.088 -9.445 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.555 1.915 -7.371 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.577 2.170 -8.771 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.368 1.512 -8.994 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.741 3.923 -9.346 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.124 3.579 -7.712 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.967 4.238 -8.954 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.115 2.486 -11.239 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.618 2.740 -10.927 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.960 1.089 -10.998 1.00 0.00 H new ATOM 466 N ILE A 32 2.275 -0.351 -6.171 1.00 0.00 N ATOM 467 CA ILE A 32 3.034 -0.742 -5.008 1.00 0.00 C ATOM 468 C ILE A 32 3.450 -2.193 -5.150 1.00 0.00 C ATOM 469 O ILE A 32 4.587 -2.542 -4.851 1.00 0.00 O ATOM 470 CB ILE A 32 2.258 -0.513 -3.705 1.00 0.00 C ATOM 471 CG1 ILE A 32 3.204 -0.666 -2.512 1.00 0.00 C ATOM 472 CG2 ILE A 32 1.071 -1.459 -3.615 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.477 -2.100 -2.124 1.00 0.00 C ATOM 0 H ILE A 32 1.290 -0.154 -5.996 1.00 0.00 H new ATOM 0 HA ILE A 32 3.922 -0.113 -4.949 1.00 0.00 H new ATOM 0 HB ILE A 32 1.858 0.501 -3.693 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.150 -0.178 -2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.779 -0.143 -1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.534 -1.281 -2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.403 -1.286 -4.459 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.425 -2.490 -3.638 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.155 -2.123 -1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.540 -2.589 -1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.932 -2.624 -2.964 1.00 0.00 H new ATOM 485 N GLN A 33 2.543 -3.034 -5.658 1.00 0.00 N ATOM 486 CA GLN A 33 2.862 -4.438 -5.891 1.00 0.00 C ATOM 487 C GLN A 33 4.245 -4.526 -6.536 1.00 0.00 C ATOM 488 O GLN A 33 5.079 -5.345 -6.153 1.00 0.00 O ATOM 489 CB GLN A 33 1.819 -5.089 -6.814 1.00 0.00 C ATOM 490 CG GLN A 33 1.407 -6.500 -6.397 1.00 0.00 C ATOM 491 CD GLN A 33 -0.020 -6.611 -5.857 1.00 0.00 C ATOM 492 OE1 GLN A 33 -0.847 -5.586 -6.064 1.00 0.00 O flip ATOM 493 NE2 GLN A 33 -0.381 -7.626 -5.261 1.00 0.00 N flip ATOM 0 H GLN A 33 1.592 -2.766 -5.912 1.00 0.00 H new ATOM 0 HA GLN A 33 2.854 -4.969 -4.939 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.931 -4.457 -6.843 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.219 -5.124 -7.827 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.510 -7.163 -7.256 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.099 -6.856 -5.634 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.275 -8.394 -5.118 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.336 -7.699 -4.910 1.00 0.00 H new ATOM 502 N ALA A 34 4.463 -3.657 -7.526 1.00 0.00 N ATOM 503 CA ALA A 34 5.726 -3.602 -8.252 1.00 0.00 C ATOM 504 C ALA A 34 6.906 -3.363 -7.324 1.00 0.00 C ATOM 505 O ALA A 34 8.010 -3.853 -7.567 1.00 0.00 O ATOM 506 CB ALA A 34 5.672 -2.523 -9.321 1.00 0.00 C ATOM 0 H ALA A 34 3.771 -2.977 -7.842 1.00 0.00 H new ATOM 0 HA ALA A 34 5.873 -4.572 -8.726 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.621 -2.493 -9.856 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.868 -2.745 -10.022 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.488 -1.556 -8.853 1.00 0.00 H new ATOM 512 N MET A 35 6.673 -2.603 -6.271 1.00 0.00 N ATOM 513 CA MET A 35 7.742 -2.289 -5.310 1.00 0.00 C ATOM 514 C MET A 35 7.667 -3.177 -4.065 1.00 0.00 C ATOM 515 O MET A 35 8.662 -3.788 -3.672 1.00 0.00 O ATOM 516 CB MET A 35 7.694 -0.815 -4.887 1.00 0.00 C ATOM 517 CG MET A 35 7.057 0.111 -5.912 1.00 0.00 C ATOM 518 SD MET A 35 7.986 1.642 -6.133 1.00 0.00 S ATOM 519 CE MET A 35 6.689 2.755 -6.669 1.00 0.00 C ATOM 0 H MET A 35 5.767 -2.190 -6.050 1.00 0.00 H new ATOM 0 HA MET A 35 8.685 -2.485 -5.820 1.00 0.00 H new ATOM 0 HB2 MET A 35 7.142 -0.736 -3.951 1.00 0.00 H new ATOM 0 HB3 MET A 35 8.710 -0.473 -4.688 1.00 0.00 H new ATOM 0 HG2 MET A 35 6.984 -0.407 -6.868 1.00 0.00 H new ATOM 0 HG3 MET A 35 6.040 0.349 -5.599 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.809 3.719 -6.174 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.750 2.891 -7.749 1.00 0.00 H new ATOM 0 HE3 MET A 35 5.718 2.333 -6.411 1.00 0.00 H new ATOM 529 N HIS A 36 6.491 -3.258 -3.460 1.00 0.00 N ATOM 530 CA HIS A 36 6.285 -4.085 -2.274 1.00 0.00 C ATOM 531 C HIS A 36 7.237 -3.717 -1.138 1.00 0.00 C ATOM 532 O HIS A 36 7.942 -4.578 -0.610 1.00 0.00 O ATOM 533 CB HIS A 36 6.456 -5.565 -2.617 1.00 0.00 C ATOM 534 CG HIS A 36 5.166 -6.249 -2.927 1.00 0.00 C ATOM 535 ND1 HIS A 36 3.914 -5.752 -3.026 1.00 0.00 N flip ATOM 536 CD2 HIS A 36 5.058 -7.601 -3.166 1.00 0.00 C flip ATOM 537 CE1 HIS A 36 3.077 -6.802 -3.319 1.00 0.00 C flip ATOM 538 NE2 HIS A 36 3.795 -7.908 -3.400 1.00 0.00 N flip ATOM 0 H HIS A 36 5.658 -2.758 -3.772 1.00 0.00 H new ATOM 0 HA HIS A 36 5.266 -3.898 -1.934 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.124 -5.658 -3.473 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.937 -6.072 -1.781 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.879 -8.302 -3.163 1.00 0.00 H new ATOM 0 HE1 HIS A 36 2.008 -6.734 -3.460 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.435 -8.840 -3.608 1.00 0.00 H new ATOM 546 N PRO A 37 7.257 -2.447 -0.713 1.00 0.00 N ATOM 547 CA PRO A 37 8.109 -2.035 0.386 1.00 0.00 C ATOM 548 C PRO A 37 7.596 -2.618 1.697 1.00 0.00 C ATOM 549 O PRO A 37 8.211 -3.512 2.275 1.00 0.00 O ATOM 550 CB PRO A 37 8.018 -0.507 0.387 1.00 0.00 C ATOM 551 CG PRO A 37 6.773 -0.168 -0.362 1.00 0.00 C ATOM 552 CD PRO A 37 6.437 -1.345 -1.238 1.00 0.00 C ATOM 0 HA PRO A 37 9.137 -2.381 0.278 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.979 -0.119 1.405 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.893 -0.064 -0.089 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.956 0.042 0.328 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.920 0.729 -0.964 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.375 -1.584 -1.190 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.671 -1.140 -2.283 1.00 0.00 H new ATOM 560 N THR A 38 6.471 -2.092 2.167 1.00 0.00 N ATOM 561 CA THR A 38 5.881 -2.543 3.422 1.00 0.00 C ATOM 562 C THR A 38 4.767 -3.565 3.186 1.00 0.00 C ATOM 563 O THR A 38 4.856 -4.704 3.645 1.00 0.00 O ATOM 564 CB THR A 38 5.336 -1.348 4.208 1.00 0.00 C ATOM 565 OG1 THR A 38 4.111 -0.903 3.655 1.00 0.00 O ATOM 566 CG2 THR A 38 6.283 -0.167 4.237 1.00 0.00 C ATOM 0 H THR A 38 5.949 -1.352 1.698 1.00 0.00 H new ATOM 0 HA THR A 38 6.666 -3.030 4.001 1.00 0.00 H new ATOM 0 HB THR A 38 5.202 -1.709 5.228 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.777 -0.140 4.171 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.835 0.645 4.810 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.222 -0.465 4.703 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.475 0.171 3.219 1.00 0.00 H new ATOM 574 N LEU A 39 3.716 -3.150 2.482 1.00 0.00 N ATOM 575 CA LEU A 39 2.586 -4.035 2.205 1.00 0.00 C ATOM 576 C LEU A 39 1.670 -3.437 1.142 1.00 0.00 C ATOM 577 O LEU A 39 0.964 -2.464 1.397 1.00 0.00 O ATOM 578 CB LEU A 39 1.793 -4.288 3.492 1.00 0.00 C ATOM 579 CG LEU A 39 1.861 -5.720 4.028 1.00 0.00 C ATOM 580 CD1 LEU A 39 1.666 -5.736 5.536 1.00 0.00 C ATOM 581 CD2 LEU A 39 0.820 -6.592 3.343 1.00 0.00 C ATOM 0 H LEU A 39 3.623 -2.211 2.094 1.00 0.00 H new ATOM 0 HA LEU A 39 2.977 -4.980 1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.158 -3.610 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.748 -4.033 3.312 1.00 0.00 H new ATOM 0 HG LEU A 39 2.849 -6.125 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.718 -6.763 5.899 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.449 -5.144 6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.692 -5.313 5.781 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.881 -7.607 3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.175 -6.189 3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.007 -6.606 2.269 1.00 0.00 H new ATOM 593 N ALA A 40 1.675 -4.034 -0.047 1.00 0.00 N ATOM 594 CA ALA A 40 0.841 -3.570 -1.154 1.00 0.00 C ATOM 595 C ALA A 40 -0.623 -3.407 -0.739 1.00 0.00 C ATOM 596 O ALA A 40 -1.257 -2.410 -1.075 1.00 0.00 O ATOM 597 CB ALA A 40 0.991 -4.512 -2.344 1.00 0.00 C ATOM 0 H ALA A 40 2.251 -4.846 -0.270 1.00 0.00 H new ATOM 0 HA ALA A 40 1.185 -2.579 -1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.367 -4.162 -3.166 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.033 -4.533 -2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.680 -5.516 -2.055 1.00 0.00 H new ATOM 603 N GLY A 41 -1.171 -4.392 -0.039 1.00 0.00 N ATOM 604 CA GLY A 41 -2.564 -4.312 0.368 1.00 0.00 C ATOM 605 C GLY A 41 -2.863 -3.109 1.248 1.00 0.00 C ATOM 606 O GLY A 41 -3.625 -2.222 0.861 1.00 0.00 O ATOM 0 H GLY A 41 -0.683 -5.239 0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.194 -4.269 -0.521 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.832 -5.222 0.905 1.00 0.00 H new ATOM 610 N LYS A 42 -2.277 -3.092 2.443 1.00 0.00 N ATOM 611 CA LYS A 42 -2.494 -2.010 3.403 1.00 0.00 C ATOM 612 C LYS A 42 -1.988 -0.664 2.888 1.00 0.00 C ATOM 613 O LYS A 42 -2.619 0.370 3.112 1.00 0.00 O ATOM 614 CB LYS A 42 -1.808 -2.341 4.723 1.00 0.00 C ATOM 615 CG LYS A 42 -2.688 -3.121 5.682 1.00 0.00 C ATOM 616 CD LYS A 42 -3.058 -2.292 6.900 1.00 0.00 C ATOM 617 CE LYS A 42 -3.973 -3.059 7.839 1.00 0.00 C ATOM 618 NZ LYS A 42 -5.301 -2.404 7.975 1.00 0.00 N ATOM 0 H LYS A 42 -1.644 -3.821 2.772 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.570 -1.922 3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.905 -2.917 4.520 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.493 -1.414 5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.595 -3.439 5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.169 -4.025 6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.152 -2.000 7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.550 -1.374 6.580 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.105 -4.075 7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.504 -3.137 8.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.041 -3.131 8.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.312 -1.816 8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.480 -1.806 7.143 1.00 0.00 H new ATOM 632 N ILE A 43 -0.853 -0.678 2.205 1.00 0.00 N ATOM 633 CA ILE A 43 -0.269 0.543 1.663 1.00 0.00 C ATOM 634 C ILE A 43 -1.264 1.271 0.757 1.00 0.00 C ATOM 635 O ILE A 43 -1.371 2.493 0.786 1.00 0.00 O ATOM 636 CB ILE A 43 1.022 0.220 0.877 1.00 0.00 C ATOM 637 CG1 ILE A 43 1.850 1.468 0.607 1.00 0.00 C ATOM 638 CG2 ILE A 43 0.699 -0.478 -0.424 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.337 1.192 0.648 1.00 0.00 C ATOM 0 H ILE A 43 -0.316 -1.523 2.012 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.022 1.197 2.499 1.00 0.00 H new ATOM 0 HB ILE A 43 1.616 -0.448 1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.585 1.873 -0.370 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.604 2.231 1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.623 -0.695 -0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.173 -1.410 -0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.068 0.167 -1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.884 2.114 0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.610 0.813 1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.590 0.450 -0.109 1.00 0.00 H new ATOM 651 N THR A 44 -1.998 0.501 -0.040 1.00 0.00 N ATOM 652 CA THR A 44 -2.990 1.059 -0.957 1.00 0.00 C ATOM 653 C THR A 44 -3.960 1.997 -0.242 1.00 0.00 C ATOM 654 O THR A 44 -4.252 3.089 -0.727 1.00 0.00 O ATOM 655 CB THR A 44 -3.777 -0.064 -1.630 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.904 -0.970 -2.281 1.00 0.00 O ATOM 657 CG2 THR A 44 -4.772 0.432 -2.654 1.00 0.00 C ATOM 0 H THR A 44 -1.925 -0.516 -0.070 1.00 0.00 H new ATOM 0 HA THR A 44 -2.449 1.635 -1.708 1.00 0.00 H new ATOM 0 HB THR A 44 -4.324 -0.554 -0.825 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.599 -1.647 -1.642 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.296 -0.417 -3.093 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.492 1.093 -2.171 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.246 0.978 -3.437 1.00 0.00 H new ATOM 665 N GLY A 45 -4.458 1.560 0.910 1.00 0.00 N ATOM 666 CA GLY A 45 -5.402 2.364 1.664 1.00 0.00 C ATOM 667 C GLY A 45 -4.812 3.678 2.127 1.00 0.00 C ATOM 668 O GLY A 45 -5.504 4.692 2.191 1.00 0.00 O ATOM 0 H GLY A 45 -4.224 0.663 1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.279 2.562 1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.743 1.798 2.531 1.00 0.00 H new ATOM 672 N MET A 46 -3.528 3.660 2.441 1.00 0.00 N ATOM 673 CA MET A 46 -2.840 4.861 2.895 1.00 0.00 C ATOM 674 C MET A 46 -2.684 5.834 1.740 1.00 0.00 C ATOM 675 O MET A 46 -3.090 6.993 1.829 1.00 0.00 O ATOM 676 CB MET A 46 -1.473 4.508 3.486 1.00 0.00 C ATOM 677 CG MET A 46 -1.459 3.192 4.250 1.00 0.00 C ATOM 678 SD MET A 46 -2.838 3.035 5.400 1.00 0.00 S ATOM 679 CE MET A 46 -2.394 1.527 6.255 1.00 0.00 C ATOM 0 H MET A 46 -2.939 2.829 2.391 1.00 0.00 H new ATOM 0 HA MET A 46 -3.436 5.333 3.676 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.740 4.458 2.680 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.158 5.309 4.154 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.488 2.365 3.540 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.522 3.107 4.800 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.293 1.057 6.654 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.905 0.845 5.559 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.713 1.760 7.073 1.00 0.00 H new ATOM 689 N LEU A 47 -2.081 5.360 0.655 1.00 0.00 N ATOM 690 CA LEU A 47 -1.865 6.198 -0.505 1.00 0.00 C ATOM 691 C LEU A 47 -3.196 6.740 -1.019 1.00 0.00 C ATOM 692 O LEU A 47 -3.220 7.711 -1.776 1.00 0.00 O ATOM 693 CB LEU A 47 -1.155 5.413 -1.609 1.00 0.00 C ATOM 694 CG LEU A 47 0.278 4.949 -1.327 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.290 5.926 -1.913 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.544 4.747 0.155 1.00 0.00 C ATOM 0 H LEU A 47 -1.737 4.404 0.560 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.232 7.036 -0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.756 4.533 -1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.140 6.031 -2.507 1.00 0.00 H new ATOM 0 HG LEU A 47 0.393 3.980 -1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.300 5.575 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.149 5.992 -2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.146 6.910 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.573 4.418 0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.386 5.687 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.136 3.991 0.547 1.00 0.00 H new ATOM 708 N LEU A 48 -4.307 6.107 -0.621 1.00 0.00 N ATOM 709 CA LEU A 48 -5.641 6.536 -1.063 1.00 0.00 C ATOM 710 C LEU A 48 -5.970 7.973 -0.635 1.00 0.00 C ATOM 711 O LEU A 48 -7.123 8.396 -0.717 1.00 0.00 O ATOM 712 CB LEU A 48 -6.718 5.573 -0.534 1.00 0.00 C ATOM 713 CG LEU A 48 -7.450 4.784 -1.624 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.579 3.664 -2.143 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.768 4.217 -1.128 1.00 0.00 C ATOM 0 H LEU A 48 -4.310 5.300 0.003 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.633 6.514 -2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.252 4.870 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.450 6.144 0.038 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.667 5.482 -2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.115 3.114 -2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.663 4.080 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.329 2.988 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.253 3.665 -1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.583 3.546 -0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.416 5.032 -0.805 1.00 0.00 H new ATOM 727 N GLU A 49 -4.965 8.726 -0.196 1.00 0.00 N ATOM 728 CA GLU A 49 -5.166 10.108 0.215 1.00 0.00 C ATOM 729 C GLU A 49 -5.362 11.012 -1.005 1.00 0.00 C ATOM 730 O GLU A 49 -5.750 12.173 -0.872 1.00 0.00 O ATOM 731 CB GLU A 49 -3.961 10.584 1.031 1.00 0.00 C ATOM 732 CG GLU A 49 -4.324 11.518 2.173 1.00 0.00 C ATOM 733 CD GLU A 49 -3.855 12.940 1.931 1.00 0.00 C ATOM 734 OE1 GLU A 49 -3.933 13.402 0.773 1.00 0.00 O ATOM 735 OE2 GLU A 49 -3.409 13.591 2.899 1.00 0.00 O ATOM 0 H GLU A 49 -4.002 8.399 -0.117 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.064 10.162 0.830 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.442 9.715 1.436 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.262 11.092 0.367 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.405 11.514 2.312 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.882 11.145 3.097 1.00 0.00 H new ATOM 742 N ILE A 50 -5.080 10.471 -2.192 1.00 0.00 N ATOM 743 CA ILE A 50 -5.213 11.226 -3.435 1.00 0.00 C ATOM 744 C ILE A 50 -6.471 10.812 -4.213 1.00 0.00 C ATOM 745 O ILE A 50 -7.035 9.743 -3.984 1.00 0.00 O ATOM 746 CB ILE A 50 -3.950 11.054 -4.318 1.00 0.00 C ATOM 747 CG1 ILE A 50 -3.902 12.109 -5.427 1.00 0.00 C ATOM 748 CG2 ILE A 50 -3.884 9.652 -4.912 1.00 0.00 C ATOM 749 CD1 ILE A 50 -3.936 13.536 -4.921 1.00 0.00 C ATOM 0 H ILE A 50 -4.758 9.511 -2.316 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.315 12.279 -3.171 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.080 11.195 -3.677 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.995 11.964 -6.014 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.745 11.953 -6.100 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.989 9.559 -5.527 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.850 8.917 -4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -4.766 9.476 -5.527 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.899 14.223 -5.767 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.856 13.701 -4.360 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.078 13.712 -4.272 1.00 0.00 H new ATOM 761 N ASP A 51 -6.885 11.670 -5.145 1.00 0.00 N ATOM 762 CA ASP A 51 -8.051 11.413 -5.987 1.00 0.00 C ATOM 763 C ASP A 51 -7.748 10.333 -7.028 1.00 0.00 C ATOM 764 O ASP A 51 -6.646 10.292 -7.577 1.00 0.00 O ATOM 765 CB ASP A 51 -8.487 12.704 -6.687 1.00 0.00 C ATOM 766 CG ASP A 51 -8.719 13.845 -5.713 1.00 0.00 C ATOM 767 OD1 ASP A 51 -7.755 14.583 -5.419 1.00 0.00 O ATOM 768 OD2 ASP A 51 -9.868 14.003 -5.247 1.00 0.00 O ATOM 0 H ASP A 51 -6.423 12.559 -5.336 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.860 11.057 -5.349 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.725 12.997 -7.409 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.403 12.518 -7.248 1.00 0.00 H new ATOM 773 N ASN A 52 -8.725 9.464 -7.315 1.00 0.00 N ATOM 774 CA ASN A 52 -8.528 8.409 -8.315 1.00 0.00 C ATOM 775 C ASN A 52 -7.920 8.975 -9.604 1.00 0.00 C ATOM 776 O ASN A 52 -7.324 8.242 -10.392 1.00 0.00 O ATOM 777 CB ASN A 52 -9.851 7.696 -8.633 1.00 0.00 C ATOM 778 CG ASN A 52 -9.728 6.698 -9.783 1.00 0.00 C ATOM 779 OD1 ASN A 52 -9.560 7.093 -10.938 1.00 0.00 O ATOM 780 ND2 ASN A 52 -9.809 5.398 -9.476 1.00 0.00 N ATOM 0 H ASN A 52 -9.646 9.469 -6.876 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.833 7.685 -7.890 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.200 7.174 -7.742 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.607 8.440 -8.884 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -9.731 4.695 -10.211 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -9.949 5.110 -8.507 1.00 0.00 H new ATOM 787 N SER A 53 -8.094 10.278 -9.817 1.00 0.00 N ATOM 788 CA SER A 53 -7.585 10.940 -11.020 1.00 0.00 C ATOM 789 C SER A 53 -6.054 10.946 -11.081 1.00 0.00 C ATOM 790 O SER A 53 -5.471 10.886 -12.165 1.00 0.00 O ATOM 791 CB SER A 53 -8.111 12.375 -11.089 1.00 0.00 C ATOM 792 OG SER A 53 -8.744 12.625 -12.334 1.00 0.00 O ATOM 0 H SER A 53 -8.584 10.898 -9.172 1.00 0.00 H new ATOM 0 HA SER A 53 -7.943 10.370 -11.877 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.817 12.547 -10.277 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.288 13.075 -10.949 1.00 0.00 H new ATOM 0 HG SER A 53 -9.074 13.548 -12.354 1.00 0.00 H new ATOM 798 N GLU A 54 -5.404 11.020 -9.926 1.00 0.00 N ATOM 799 CA GLU A 54 -3.944 11.040 -9.875 1.00 0.00 C ATOM 800 C GLU A 54 -3.371 9.653 -10.132 1.00 0.00 C ATOM 801 O GLU A 54 -2.281 9.509 -10.688 1.00 0.00 O ATOM 802 CB GLU A 54 -3.469 11.543 -8.513 1.00 0.00 C ATOM 803 CG GLU A 54 -3.187 13.034 -8.474 1.00 0.00 C ATOM 804 CD GLU A 54 -1.706 13.346 -8.546 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.014 12.739 -9.391 1.00 0.00 O ATOM 806 OE2 GLU A 54 -1.237 14.194 -7.759 1.00 0.00 O ATOM 0 H GLU A 54 -5.860 11.067 -9.015 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.590 11.715 -10.655 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.225 11.306 -7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.564 11.004 -8.233 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.698 13.519 -9.306 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.600 13.455 -7.557 1.00 0.00 H new ATOM 813 N LEU A 55 -4.107 8.640 -9.704 1.00 0.00 N ATOM 814 CA LEU A 55 -3.683 7.259 -9.862 1.00 0.00 C ATOM 815 C LEU A 55 -3.576 6.861 -11.325 1.00 0.00 C ATOM 816 O LEU A 55 -2.634 6.172 -11.718 1.00 0.00 O ATOM 817 CB LEU A 55 -4.636 6.355 -9.100 1.00 0.00 C ATOM 818 CG LEU A 55 -4.545 6.533 -7.585 1.00 0.00 C ATOM 819 CD1 LEU A 55 -5.793 7.186 -7.031 1.00 0.00 C ATOM 820 CD2 LEU A 55 -4.307 5.206 -6.909 1.00 0.00 C ATOM 0 H LEU A 55 -5.009 8.751 -9.241 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.681 7.149 -9.447 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.657 6.558 -9.423 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.422 5.316 -9.352 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.700 7.190 -7.379 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.696 7.298 -5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.924 8.167 -7.488 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.659 6.564 -7.255 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.245 5.353 -5.831 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.130 4.529 -7.136 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.373 4.776 -7.271 1.00 0.00 H new ATOM 832 N LEU A 56 -4.518 7.310 -12.138 1.00 0.00 N ATOM 833 CA LEU A 56 -4.477 7.004 -13.559 1.00 0.00 C ATOM 834 C LEU A 56 -3.288 7.710 -14.195 1.00 0.00 C ATOM 835 O LEU A 56 -2.645 7.183 -15.102 1.00 0.00 O ATOM 836 CB LEU A 56 -5.774 7.426 -14.244 1.00 0.00 C ATOM 837 CG LEU A 56 -6.904 6.398 -14.165 1.00 0.00 C ATOM 838 CD1 LEU A 56 -7.606 6.483 -12.819 1.00 0.00 C ATOM 839 CD2 LEU A 56 -7.891 6.607 -15.302 1.00 0.00 C ATOM 0 H LEU A 56 -5.311 7.880 -11.844 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.367 5.927 -13.684 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.118 8.359 -13.797 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.564 7.634 -15.293 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.475 5.401 -14.264 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.407 5.745 -12.779 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.890 6.284 -12.022 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.025 7.481 -12.690 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.689 5.868 -15.232 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.317 7.608 -15.235 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.376 6.495 -16.256 1.00 0.00 H new ATOM 851 N HIS A 57 -2.998 8.909 -13.695 1.00 0.00 N ATOM 852 CA HIS A 57 -1.880 9.700 -14.192 1.00 0.00 C ATOM 853 C HIS A 57 -0.550 9.022 -13.866 1.00 0.00 C ATOM 854 O HIS A 57 0.306 8.859 -14.736 1.00 0.00 O ATOM 855 CB HIS A 57 -1.910 11.102 -13.579 1.00 0.00 C ATOM 856 CG HIS A 57 -0.986 12.069 -14.248 1.00 0.00 C ATOM 857 ND1 HIS A 57 -0.292 11.772 -15.401 1.00 0.00 N ATOM 858 CD2 HIS A 57 -0.640 13.338 -13.923 1.00 0.00 C ATOM 859 CE1 HIS A 57 0.441 12.811 -15.756 1.00 0.00 C ATOM 860 NE2 HIS A 57 0.246 13.775 -14.876 1.00 0.00 N ATOM 0 H HIS A 57 -3.525 9.353 -12.943 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.975 9.780 -15.275 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.927 11.490 -13.630 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.648 11.033 -12.523 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.995 13.901 -13.072 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.089 12.863 -16.618 1.00 0.00 H new ATOM 0 HE2 HIS A 57 0.683 14.696 -14.900 1.00 0.00 H new ATOM 868 N MET A 58 -0.387 8.634 -12.605 1.00 0.00 N ATOM 869 CA MET A 58 0.838 7.977 -12.159 1.00 0.00 C ATOM 870 C MET A 58 0.959 6.568 -12.723 1.00 0.00 C ATOM 871 O MET A 58 2.059 6.099 -13.017 1.00 0.00 O ATOM 872 CB MET A 58 0.893 7.916 -10.638 1.00 0.00 C ATOM 873 CG MET A 58 -0.377 7.407 -9.984 1.00 0.00 C ATOM 874 SD MET A 58 -0.720 8.242 -8.426 1.00 0.00 S ATOM 875 CE MET A 58 -0.445 6.906 -7.265 1.00 0.00 C ATOM 0 H MET A 58 -1.087 8.763 -11.874 1.00 0.00 H new ATOM 0 HA MET A 58 1.672 8.571 -12.531 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.722 7.273 -10.342 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.110 8.913 -10.254 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.217 7.551 -10.664 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.289 6.335 -9.808 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.803 7.202 -6.279 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.985 6.019 -7.596 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.621 6.683 -7.213 1.00 0.00 H new ATOM 885 N LEU A 59 -0.172 5.889 -12.861 1.00 0.00 N ATOM 886 CA LEU A 59 -0.174 4.528 -13.378 1.00 0.00 C ATOM 887 C LEU A 59 0.424 4.503 -14.784 1.00 0.00 C ATOM 888 O LEU A 59 1.009 3.507 -15.205 1.00 0.00 O ATOM 889 CB LEU A 59 -1.599 3.965 -13.388 1.00 0.00 C ATOM 890 CG LEU A 59 -1.806 2.707 -14.238 1.00 0.00 C ATOM 891 CD1 LEU A 59 -2.726 1.728 -13.526 1.00 0.00 C ATOM 892 CD2 LEU A 59 -2.366 3.074 -15.607 1.00 0.00 C ATOM 0 H LEU A 59 -1.094 6.256 -12.624 1.00 0.00 H new ATOM 0 HA LEU A 59 0.437 3.901 -12.728 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.889 3.741 -12.362 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.275 4.741 -13.748 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.839 2.225 -14.382 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.862 0.841 -14.144 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.284 1.441 -12.572 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.693 2.199 -13.351 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.507 2.168 -16.197 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.324 3.580 -15.485 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.669 3.737 -16.120 1.00 0.00 H new ATOM 904 N GLU A 60 0.291 5.622 -15.489 1.00 0.00 N ATOM 905 CA GLU A 60 0.839 5.753 -16.838 1.00 0.00 C ATOM 906 C GLU A 60 2.067 6.668 -16.851 1.00 0.00 C ATOM 907 O GLU A 60 2.664 6.901 -17.901 1.00 0.00 O ATOM 908 CB GLU A 60 -0.226 6.291 -17.793 1.00 0.00 C ATOM 909 CG GLU A 60 -1.290 5.268 -18.147 1.00 0.00 C ATOM 910 CD GLU A 60 -1.012 4.561 -19.458 1.00 0.00 C ATOM 911 OE1 GLU A 60 -1.447 5.072 -20.512 1.00 0.00 O ATOM 912 OE2 GLU A 60 -0.359 3.497 -19.432 1.00 0.00 O ATOM 0 H GLU A 60 -0.192 6.454 -15.149 1.00 0.00 H new ATOM 0 HA GLU A 60 1.150 4.763 -17.171 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.704 7.160 -17.340 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.257 6.634 -18.708 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.357 4.529 -17.348 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.259 5.764 -18.205 1.00 0.00 H new ATOM 919 N SER A 61 2.437 7.184 -15.679 1.00 0.00 N ATOM 920 CA SER A 61 3.588 8.074 -15.557 1.00 0.00 C ATOM 921 C SER A 61 4.400 7.741 -14.306 1.00 0.00 C ATOM 922 O SER A 61 4.049 8.158 -13.202 1.00 0.00 O ATOM 923 CB SER A 61 3.126 9.532 -15.505 1.00 0.00 C ATOM 924 OG SER A 61 3.938 10.354 -16.327 1.00 0.00 O ATOM 0 H SER A 61 1.954 7.000 -14.800 1.00 0.00 H new ATOM 0 HA SER A 61 4.223 7.932 -16.431 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.088 9.600 -15.830 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.162 9.892 -14.477 1.00 0.00 H new ATOM 0 HG SER A 61 3.622 11.280 -16.278 1.00 0.00 H new ATOM 930 N PRO A 62 5.502 6.986 -14.460 1.00 0.00 N ATOM 931 CA PRO A 62 6.362 6.603 -13.333 1.00 0.00 C ATOM 932 C PRO A 62 6.773 7.801 -12.479 1.00 0.00 C ATOM 933 O PRO A 62 7.068 7.660 -11.292 1.00 0.00 O ATOM 934 CB PRO A 62 7.589 5.995 -14.018 1.00 0.00 C ATOM 935 CG PRO A 62 7.086 5.499 -15.328 1.00 0.00 C ATOM 936 CD PRO A 62 5.994 6.446 -15.741 1.00 0.00 C ATOM 0 HA PRO A 62 5.855 5.925 -12.647 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.376 6.737 -14.152 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.013 5.185 -13.424 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.885 5.478 -16.069 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.706 4.481 -15.240 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.372 7.236 -16.390 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.204 5.933 -16.290 1.00 0.00 H new ATOM 944 N GLU A 63 6.799 8.979 -13.097 1.00 0.00 N ATOM 945 CA GLU A 63 7.186 10.209 -12.406 1.00 0.00 C ATOM 946 C GLU A 63 6.296 10.481 -11.193 1.00 0.00 C ATOM 947 O GLU A 63 6.781 10.573 -10.064 1.00 0.00 O ATOM 948 CB GLU A 63 7.127 11.398 -13.369 1.00 0.00 C ATOM 949 CG GLU A 63 5.906 11.402 -14.279 1.00 0.00 C ATOM 950 CD GLU A 63 4.963 12.553 -13.985 1.00 0.00 C ATOM 951 OE1 GLU A 63 4.947 13.027 -12.829 1.00 0.00 O ATOM 952 OE2 GLU A 63 4.243 12.982 -14.911 1.00 0.00 O ATOM 0 H GLU A 63 6.556 9.109 -14.079 1.00 0.00 H new ATOM 0 HA GLU A 63 8.208 10.078 -12.051 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.138 12.321 -12.790 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.026 11.397 -13.985 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.232 11.460 -15.318 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.370 10.460 -14.165 1.00 0.00 H new ATOM 959 N SER A 64 4.996 10.610 -11.431 1.00 0.00 N ATOM 960 CA SER A 64 4.036 10.873 -10.363 1.00 0.00 C ATOM 961 C SER A 64 3.844 9.625 -9.528 1.00 0.00 C ATOM 962 O SER A 64 3.589 9.689 -8.326 1.00 0.00 O ATOM 963 CB SER A 64 2.697 11.317 -10.957 1.00 0.00 C ATOM 964 OG SER A 64 2.451 12.687 -10.698 1.00 0.00 O ATOM 0 H SER A 64 4.580 10.536 -12.359 1.00 0.00 H new ATOM 0 HA SER A 64 4.420 11.671 -9.728 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.698 11.142 -12.033 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.892 10.714 -10.536 1.00 0.00 H new ATOM 0 HG SER A 64 1.590 12.945 -11.090 1.00 0.00 H new ATOM 970 N LEU A 65 3.960 8.489 -10.193 1.00 0.00 N ATOM 971 CA LEU A 65 3.798 7.207 -9.554 1.00 0.00 C ATOM 972 C LEU A 65 4.761 7.062 -8.394 1.00 0.00 C ATOM 973 O LEU A 65 4.342 6.957 -7.241 1.00 0.00 O ATOM 974 CB LEU A 65 4.047 6.100 -10.577 1.00 0.00 C ATOM 975 CG LEU A 65 3.344 4.771 -10.310 1.00 0.00 C ATOM 976 CD1 LEU A 65 3.996 3.671 -11.131 1.00 0.00 C ATOM 977 CD2 LEU A 65 3.379 4.422 -8.831 1.00 0.00 C ATOM 0 H LEU A 65 4.169 8.436 -11.190 1.00 0.00 H new ATOM 0 HA LEU A 65 2.782 7.130 -9.167 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.737 6.462 -11.557 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.120 5.916 -10.630 1.00 0.00 H new ATOM 0 HG LEU A 65 2.299 4.866 -10.605 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.491 2.725 -10.937 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.918 3.913 -12.191 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.047 3.585 -10.855 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.871 3.471 -8.669 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.415 4.341 -8.501 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.876 5.203 -8.261 1.00 0.00 H new ATOM 989 N ARG A 66 6.044 7.049 -8.693 1.00 0.00 N ATOM 990 CA ARG A 66 7.039 6.901 -7.643 1.00 0.00 C ATOM 991 C ARG A 66 6.919 8.021 -6.618 1.00 0.00 C ATOM 992 O ARG A 66 7.330 7.874 -5.470 1.00 0.00 O ATOM 993 CB ARG A 66 8.445 6.858 -8.236 1.00 0.00 C ATOM 994 CG ARG A 66 9.273 5.683 -7.739 1.00 0.00 C ATOM 995 CD ARG A 66 9.545 4.679 -8.848 1.00 0.00 C ATOM 996 NE ARG A 66 10.716 5.053 -9.633 1.00 0.00 N ATOM 997 CZ ARG A 66 11.944 5.148 -9.128 1.00 0.00 C ATOM 998 NH1 ARG A 66 12.180 4.827 -7.860 1.00 0.00 N ATOM 999 NH2 ARG A 66 12.943 5.552 -9.900 1.00 0.00 N ATOM 0 H ARG A 66 6.421 7.137 -9.637 1.00 0.00 H new ATOM 0 HA ARG A 66 6.854 5.956 -7.132 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.372 6.808 -9.322 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.962 7.786 -7.994 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.219 6.048 -7.338 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.749 5.189 -6.921 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.696 3.690 -8.416 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.675 4.612 -9.501 1.00 0.00 H new ATOM 0 HE ARG A 66 10.587 5.253 -10.625 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.417 4.505 -7.265 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.124 4.903 -7.482 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.769 5.789 -10.877 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.886 5.626 -9.517 1.00 0.00 H new ATOM 1013 N SER A 67 6.344 9.135 -7.041 1.00 0.00 N ATOM 1014 CA SER A 67 6.160 10.278 -6.162 1.00 0.00 C ATOM 1015 C SER A 67 5.240 9.940 -4.989 1.00 0.00 C ATOM 1016 O SER A 67 5.549 10.241 -3.839 1.00 0.00 O ATOM 1017 CB SER A 67 5.580 11.448 -6.950 1.00 0.00 C ATOM 1018 OG SER A 67 5.718 12.671 -6.244 1.00 0.00 O ATOM 0 H SER A 67 5.996 9.272 -7.990 1.00 0.00 H new ATOM 0 HA SER A 67 7.135 10.552 -5.759 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.084 11.524 -7.914 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.526 11.262 -7.155 1.00 0.00 H new ATOM 0 HG SER A 67 6.092 12.495 -5.356 1.00 0.00 H new ATOM 1024 N LYS A 68 4.102 9.326 -5.284 1.00 0.00 N ATOM 1025 CA LYS A 68 3.138 8.973 -4.246 1.00 0.00 C ATOM 1026 C LYS A 68 3.610 7.778 -3.427 1.00 0.00 C ATOM 1027 O LYS A 68 3.623 7.822 -2.197 1.00 0.00 O ATOM 1028 CB LYS A 68 1.769 8.673 -4.863 1.00 0.00 C ATOM 1029 CG LYS A 68 1.452 9.514 -6.093 1.00 0.00 C ATOM 1030 CD LYS A 68 0.202 10.362 -5.891 1.00 0.00 C ATOM 1031 CE LYS A 68 0.463 11.828 -6.198 1.00 0.00 C ATOM 1032 NZ LYS A 68 -0.476 12.723 -5.466 1.00 0.00 N ATOM 0 H LYS A 68 3.823 9.062 -6.229 1.00 0.00 H new ATOM 0 HA LYS A 68 3.050 9.829 -3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.726 7.618 -5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.997 8.840 -4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.299 10.162 -6.318 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.313 8.861 -6.954 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.597 9.992 -6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.144 10.261 -4.862 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.489 12.079 -5.928 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.365 11.998 -7.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.926 13.377 -6.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.207 12.151 -4.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.049 13.267 -4.751 1.00 0.00 H new ATOM 1046 N VAL A 69 4.002 6.712 -4.113 1.00 0.00 N ATOM 1047 CA VAL A 69 4.476 5.505 -3.448 1.00 0.00 C ATOM 1048 C VAL A 69 5.653 5.812 -2.537 1.00 0.00 C ATOM 1049 O VAL A 69 5.614 5.540 -1.339 1.00 0.00 O ATOM 1050 CB VAL A 69 4.907 4.435 -4.465 1.00 0.00 C ATOM 1051 CG1 VAL A 69 5.165 3.109 -3.766 1.00 0.00 C ATOM 1052 CG2 VAL A 69 3.858 4.281 -5.560 1.00 0.00 C ATOM 0 H VAL A 69 4.001 6.659 -5.132 1.00 0.00 H new ATOM 0 HA VAL A 69 3.644 5.123 -2.857 1.00 0.00 H new ATOM 0 HB VAL A 69 5.837 4.757 -4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.469 2.363 -4.501 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.957 3.235 -3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.254 2.777 -3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.182 3.519 -6.269 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.909 3.982 -5.115 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.732 5.231 -6.080 1.00 0.00 H new ATOM 1062 N ASP A 70 6.694 6.390 -3.120 1.00 0.00 N ATOM 1063 CA ASP A 70 7.895 6.749 -2.374 1.00 0.00 C ATOM 1064 C ASP A 70 7.538 7.526 -1.112 1.00 0.00 C ATOM 1065 O ASP A 70 7.941 7.164 -0.006 1.00 0.00 O ATOM 1066 CB ASP A 70 8.830 7.581 -3.253 1.00 0.00 C ATOM 1067 CG ASP A 70 10.194 7.772 -2.627 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.991 6.810 -2.638 1.00 0.00 O ATOM 1069 OD2 ASP A 70 10.468 8.881 -2.122 1.00 0.00 O ATOM 0 H ASP A 70 6.732 6.622 -4.113 1.00 0.00 H new ATOM 0 HA ASP A 70 8.403 5.830 -2.080 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.943 7.093 -4.221 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.379 8.556 -3.438 1.00 0.00 H new ATOM 1074 N GLU A 71 6.762 8.588 -1.291 1.00 0.00 N ATOM 1075 CA GLU A 71 6.321 9.428 -0.180 1.00 0.00 C ATOM 1076 C GLU A 71 5.712 8.586 0.927 1.00 0.00 C ATOM 1077 O GLU A 71 6.190 8.594 2.059 1.00 0.00 O ATOM 1078 CB GLU A 71 5.316 10.453 -0.697 1.00 0.00 C ATOM 1079 CG GLU A 71 5.953 11.774 -1.106 1.00 0.00 C ATOM 1080 CD GLU A 71 7.047 11.601 -2.141 1.00 0.00 C ATOM 1081 OE1 GLU A 71 8.031 10.888 -1.852 1.00 0.00 O ATOM 1082 OE2 GLU A 71 6.920 12.179 -3.240 1.00 0.00 O ATOM 0 H GLU A 71 6.422 8.891 -2.203 1.00 0.00 H new ATOM 0 HA GLU A 71 7.182 9.948 0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.788 10.033 -1.553 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.571 10.642 0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.184 12.436 -1.504 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.367 12.261 -0.223 1.00 0.00 H new ATOM 1089 N ALA A 72 4.659 7.856 0.601 1.00 0.00 N ATOM 1090 CA ALA A 72 4.000 7.008 1.580 1.00 0.00 C ATOM 1091 C ALA A 72 4.998 6.137 2.327 1.00 0.00 C ATOM 1092 O ALA A 72 4.907 5.979 3.541 1.00 0.00 O ATOM 1093 CB ALA A 72 2.957 6.154 0.901 1.00 0.00 C ATOM 0 H ALA A 72 4.243 7.833 -0.330 1.00 0.00 H new ATOM 0 HA ALA A 72 3.514 7.652 2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.467 5.521 1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.216 6.795 0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.434 5.528 0.147 1.00 0.00 H new ATOM 1099 N VAL A 73 5.961 5.581 1.600 1.00 0.00 N ATOM 1100 CA VAL A 73 6.973 4.738 2.225 1.00 0.00 C ATOM 1101 C VAL A 73 7.584 5.474 3.409 1.00 0.00 C ATOM 1102 O VAL A 73 7.912 4.874 4.429 1.00 0.00 O ATOM 1103 CB VAL A 73 8.092 4.343 1.237 1.00 0.00 C ATOM 1104 CG1 VAL A 73 9.104 3.423 1.903 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.512 3.685 -0.006 1.00 0.00 C ATOM 0 H VAL A 73 6.062 5.696 0.592 1.00 0.00 H new ATOM 0 HA VAL A 73 6.482 3.822 2.555 1.00 0.00 H new ATOM 0 HB VAL A 73 8.606 5.255 0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.882 3.159 1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.553 3.933 2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.603 2.517 2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.320 3.416 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.964 2.787 0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.835 4.380 -0.503 1.00 0.00 H new ATOM 1115 N ALA A 74 7.711 6.787 3.269 1.00 0.00 N ATOM 1116 CA ALA A 74 8.262 7.614 4.324 1.00 0.00 C ATOM 1117 C ALA A 74 7.278 7.745 5.486 1.00 0.00 C ATOM 1118 O ALA A 74 7.590 7.366 6.615 1.00 0.00 O ATOM 1119 CB ALA A 74 8.638 8.983 3.777 1.00 0.00 C ATOM 0 H ALA A 74 7.438 7.300 2.431 1.00 0.00 H new ATOM 0 HA ALA A 74 9.163 7.133 4.704 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.051 9.595 4.579 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.382 8.868 2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.751 9.468 3.370 1.00 0.00 H new ATOM 1125 N VAL A 75 6.092 8.288 5.209 1.00 0.00 N ATOM 1126 CA VAL A 75 5.077 8.469 6.242 1.00 0.00 C ATOM 1127 C VAL A 75 4.520 7.136 6.732 1.00 0.00 C ATOM 1128 O VAL A 75 4.613 6.816 7.912 1.00 0.00 O ATOM 1129 CB VAL A 75 3.889 9.335 5.762 1.00 0.00 C ATOM 1130 CG1 VAL A 75 3.656 10.497 6.720 1.00 0.00 C ATOM 1131 CG2 VAL A 75 4.087 9.837 4.339 1.00 0.00 C ATOM 0 H VAL A 75 5.813 8.608 4.282 1.00 0.00 H new ATOM 0 HA VAL A 75 5.589 8.981 7.057 1.00 0.00 H new ATOM 0 HB VAL A 75 3.002 8.701 5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.817 11.096 6.368 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.433 10.110 7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.551 11.117 6.764 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.229 10.441 4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.991 10.443 4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.183 8.987 3.663 1.00 0.00 H new ATOM 1141 N LEU A 76 3.915 6.374 5.824 1.00 0.00 N ATOM 1142 CA LEU A 76 3.314 5.088 6.175 1.00 0.00 C ATOM 1143 C LEU A 76 4.279 4.206 6.957 1.00 0.00 C ATOM 1144 O LEU A 76 4.010 3.848 8.103 1.00 0.00 O ATOM 1145 CB LEU A 76 2.853 4.351 4.915 1.00 0.00 C ATOM 1146 CG LEU A 76 2.478 2.882 5.126 1.00 0.00 C ATOM 1147 CD1 LEU A 76 1.410 2.751 6.198 1.00 0.00 C ATOM 1148 CD2 LEU A 76 2.005 2.260 3.821 1.00 0.00 C ATOM 0 H LEU A 76 3.827 6.624 4.839 1.00 0.00 H new ATOM 0 HA LEU A 76 2.454 5.297 6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.991 4.875 4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.647 4.404 4.170 1.00 0.00 H new ATOM 0 HG LEU A 76 3.366 2.346 5.461 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.157 1.699 6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.785 3.158 7.137 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.520 3.302 5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.743 1.216 3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.131 2.799 3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.802 2.319 3.080 1.00 0.00 H new ATOM 1160 N GLN A 77 5.396 3.847 6.333 1.00 0.00 N ATOM 1161 CA GLN A 77 6.373 2.994 6.995 1.00 0.00 C ATOM 1162 C GLN A 77 6.709 3.559 8.377 1.00 0.00 C ATOM 1163 O GLN A 77 7.048 2.818 9.298 1.00 0.00 O ATOM 1164 CB GLN A 77 7.636 2.850 6.145 1.00 0.00 C ATOM 1165 CG GLN A 77 8.341 1.516 6.325 1.00 0.00 C ATOM 1166 CD GLN A 77 9.622 1.637 7.126 1.00 0.00 C ATOM 1167 OE1 GLN A 77 10.356 2.614 6.999 1.00 0.00 O ATOM 1168 NE2 GLN A 77 9.894 0.638 7.957 1.00 0.00 N ATOM 0 H GLN A 77 5.644 4.129 5.385 1.00 0.00 H new ATOM 0 HA GLN A 77 5.941 2.001 7.119 1.00 0.00 H new ATOM 0 HB2 GLN A 77 7.373 2.974 5.094 1.00 0.00 H new ATOM 0 HB3 GLN A 77 8.327 3.654 6.397 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.669 0.819 6.825 1.00 0.00 H new ATOM 0 HG3 GLN A 77 8.568 1.094 5.346 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.255 -0.154 8.029 1.00 0.00 H new ATOM 0 HE22 GLN A 77 10.742 0.662 8.523 1.00 0.00 H new ATOM 1177 N ALA A 78 6.579 4.879 8.513 1.00 0.00 N ATOM 1178 CA ALA A 78 6.832 5.554 9.778 1.00 0.00 C ATOM 1179 C ALA A 78 5.613 5.462 10.699 1.00 0.00 C ATOM 1180 O ALA A 78 5.739 5.152 11.885 1.00 0.00 O ATOM 1181 CB ALA A 78 7.208 7.007 9.537 1.00 0.00 C ATOM 0 H ALA A 78 6.298 5.502 7.755 1.00 0.00 H new ATOM 0 HA ALA A 78 7.667 5.055 10.270 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.394 7.498 10.492 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.108 7.053 8.924 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.392 7.513 9.022 1.00 0.00 H new ATOM 1187 N HIS A 79 4.431 5.739 10.145 1.00 0.00 N ATOM 1188 CA HIS A 79 3.189 5.695 10.910 1.00 0.00 C ATOM 1189 C HIS A 79 2.684 4.260 11.078 1.00 0.00 C ATOM 1190 O HIS A 79 1.627 4.037 11.667 1.00 0.00 O ATOM 1191 CB HIS A 79 2.112 6.547 10.230 1.00 0.00 C ATOM 1192 CG HIS A 79 1.991 7.927 10.801 1.00 0.00 C ATOM 1193 ND1 HIS A 79 1.652 8.173 12.114 1.00 0.00 N ATOM 1194 CD2 HIS A 79 2.161 9.142 10.227 1.00 0.00 C ATOM 1195 CE1 HIS A 79 1.617 9.477 12.324 1.00 0.00 C ATOM 1196 NE2 HIS A 79 1.923 10.087 11.193 1.00 0.00 N ATOM 0 H HIS A 79 4.311 5.997 9.165 1.00 0.00 H new ATOM 0 HA HIS A 79 3.399 6.100 11.900 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.337 6.621 9.166 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.151 6.041 10.318 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.433 9.332 9.199 1.00 0.00 H new ATOM 0 HE1 HIS A 79 1.379 9.961 13.260 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.974 11.097 11.059 1.00 0.00 H new ATOM 1204 N GLN A 80 3.437 3.291 10.557 1.00 0.00 N ATOM 1205 CA GLN A 80 3.048 1.889 10.657 1.00 0.00 C ATOM 1206 C GLN A 80 3.384 1.330 12.034 1.00 0.00 C ATOM 1207 O GLN A 80 2.690 0.449 12.544 1.00 0.00 O ATOM 1208 CB GLN A 80 3.751 1.067 9.574 1.00 0.00 C ATOM 1209 CG GLN A 80 3.427 -0.417 9.624 1.00 0.00 C ATOM 1210 CD GLN A 80 4.487 -1.265 8.950 1.00 0.00 C ATOM 1211 OE1 GLN A 80 5.455 -1.686 9.585 1.00 0.00 O ATOM 1212 NE2 GLN A 80 4.311 -1.520 7.659 1.00 0.00 N ATOM 0 H GLN A 80 4.315 3.452 10.064 1.00 0.00 H new ATOM 0 HA GLN A 80 1.970 1.824 10.512 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.472 1.458 8.596 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.829 1.198 9.674 1.00 0.00 H new ATOM 0 HG2 GLN A 80 3.324 -0.728 10.663 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.465 -0.592 9.142 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.494 -1.151 7.173 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.993 -2.085 7.153 1.00 0.00 H new ATOM 1221 N ALA A 81 4.450 1.847 12.634 1.00 0.00 N ATOM 1222 CA ALA A 81 4.878 1.402 13.955 1.00 0.00 C ATOM 1223 C ALA A 81 3.996 1.988 15.059 1.00 0.00 C ATOM 1224 O ALA A 81 4.233 1.751 16.243 1.00 0.00 O ATOM 1225 CB ALA A 81 6.333 1.775 14.187 1.00 0.00 C ATOM 0 H ALA A 81 5.035 2.576 12.226 1.00 0.00 H new ATOM 0 HA ALA A 81 4.777 0.317 13.992 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.642 1.438 15.176 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.956 1.298 13.430 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.446 2.857 14.121 1.00 0.00 H new ATOM 1231 N LYS A 82 2.977 2.752 14.666 1.00 0.00 N ATOM 1232 CA LYS A 82 2.067 3.364 15.624 1.00 0.00 C ATOM 1233 C LYS A 82 1.270 2.301 16.373 1.00 0.00 C ATOM 1234 O LYS A 82 1.119 1.174 15.899 1.00 0.00 O ATOM 1235 CB LYS A 82 1.111 4.319 14.903 1.00 0.00 C ATOM 1236 CG LYS A 82 1.246 5.767 15.344 1.00 0.00 C ATOM 1237 CD LYS A 82 -0.108 6.381 15.665 1.00 0.00 C ATOM 1238 CE LYS A 82 -0.673 7.137 14.473 1.00 0.00 C ATOM 1239 NZ LYS A 82 -1.607 6.297 13.673 1.00 0.00 N ATOM 0 H LYS A 82 2.764 2.960 13.690 1.00 0.00 H new ATOM 0 HA LYS A 82 2.659 3.924 16.348 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.291 4.257 13.830 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.086 3.990 15.074 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.889 5.822 16.222 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.731 6.344 14.557 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.803 5.596 15.962 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.010 7.058 16.513 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.195 8.028 14.823 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.145 7.476 13.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.970 6.850 12.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.103 5.460 13.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.401 5.994 14.272 1.00 0.00 H new ATOM 1253 N GLU A 83 0.753 2.670 17.539 1.00 0.00 N ATOM 1254 CA GLU A 83 -0.038 1.753 18.348 1.00 0.00 C ATOM 1255 C GLU A 83 -1.523 1.926 18.055 1.00 0.00 C ATOM 1256 O GLU A 83 -2.034 3.046 18.028 1.00 0.00 O ATOM 1257 CB GLU A 83 0.226 1.986 19.837 1.00 0.00 C ATOM 1258 CG GLU A 83 1.675 1.763 20.241 1.00 0.00 C ATOM 1259 CD GLU A 83 2.028 0.293 20.360 1.00 0.00 C ATOM 1260 OE1 GLU A 83 1.217 -0.550 19.923 1.00 0.00 O ATOM 1261 OE2 GLU A 83 3.115 -0.016 20.890 1.00 0.00 O ATOM 0 H GLU A 83 0.868 3.599 17.945 1.00 0.00 H new ATOM 0 HA GLU A 83 0.256 0.735 18.092 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.061 3.006 20.093 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.411 1.320 20.419 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.329 2.232 19.506 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.862 2.256 21.195 1.00 0.00 H new ATOM 1268 N ALA A 84 -2.212 0.813 17.832 1.00 0.00 N ATOM 1269 CA ALA A 84 -3.638 0.849 17.538 1.00 0.00 C ATOM 1270 C ALA A 84 -4.439 1.257 18.767 1.00 0.00 C ATOM 1271 O ALA A 84 -4.403 0.582 19.797 1.00 0.00 O ATOM 1272 CB ALA A 84 -4.106 -0.505 17.026 1.00 0.00 C ATOM 0 H ALA A 84 -1.807 -0.123 17.849 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.806 1.596 16.762 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.174 -0.463 16.810 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.562 -0.758 16.116 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.918 -1.265 17.784 1.00 0.00 H new ATOM 1278 N ALA A 85 -5.169 2.361 18.651 1.00 0.00 N ATOM 1279 CA ALA A 85 -5.986 2.854 19.753 1.00 0.00 C ATOM 1280 C ALA A 85 -7.107 1.874 20.095 1.00 0.00 C ATOM 1281 O ALA A 85 -7.774 2.015 21.119 1.00 0.00 O ATOM 1282 CB ALA A 85 -6.560 4.224 19.417 1.00 0.00 C ATOM 0 H ALA A 85 -5.211 2.931 17.806 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.345 2.947 20.630 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.168 4.578 20.250 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.745 4.926 19.238 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.178 4.150 18.523 1.00 0.00 H new ATOM 1288 N GLN A 86 -7.310 0.877 19.232 1.00 0.00 N ATOM 1289 CA GLN A 86 -8.350 -0.124 19.450 1.00 0.00 C ATOM 1290 C GLN A 86 -7.870 -1.227 20.393 1.00 0.00 C ATOM 1291 O GLN A 86 -8.181 -2.401 20.195 1.00 0.00 O ATOM 1292 CB GLN A 86 -8.792 -0.737 18.116 1.00 0.00 C ATOM 1293 CG GLN A 86 -7.650 -1.299 17.276 1.00 0.00 C ATOM 1294 CD GLN A 86 -7.063 -2.574 17.851 1.00 0.00 C ATOM 1295 OE1 GLN A 86 -6.028 -2.550 18.516 1.00 0.00 O ATOM 1296 NE2 GLN A 86 -7.722 -3.699 17.597 1.00 0.00 N ATOM 0 H GLN A 86 -6.768 0.743 18.378 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.200 0.378 19.913 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -9.508 -1.534 18.315 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.315 0.023 17.536 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -8.011 -1.495 16.266 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.864 -0.549 17.193 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -8.577 -3.675 17.041 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -7.373 -4.587 17.958 1.00 0.00 H new ATOM 1305 N LYS A 87 -7.121 -0.851 21.426 1.00 0.00 N ATOM 1306 CA LYS A 87 -6.614 -1.822 22.387 1.00 0.00 C ATOM 1307 C LYS A 87 -7.675 -2.182 23.424 1.00 0.00 C ATOM 1308 O LYS A 87 -7.367 -2.361 24.603 1.00 0.00 O ATOM 1309 CB LYS A 87 -5.366 -1.277 23.087 1.00 0.00 C ATOM 1310 CG LYS A 87 -4.454 -2.363 23.635 1.00 0.00 C ATOM 1311 CD LYS A 87 -3.901 -3.248 22.523 1.00 0.00 C ATOM 1312 CE LYS A 87 -4.653 -4.570 22.409 1.00 0.00 C ATOM 1313 NZ LYS A 87 -5.023 -5.134 23.736 1.00 0.00 N ATOM 0 H LYS A 87 -6.854 0.115 21.617 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.352 -2.727 21.838 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.804 -0.663 22.384 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.673 -0.625 23.905 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.629 -1.905 24.180 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.005 -2.976 24.348 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.961 -2.715 21.574 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.846 -3.447 22.711 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.556 -4.420 21.817 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.036 -5.290 21.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.083 -6.170 23.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.301 -4.874 24.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.945 -4.753 24.030 1.00 0.00 H new ATOM 1327 N ALA A 88 -8.922 -2.295 22.981 1.00 0.00 N ATOM 1328 CA ALA A 88 -10.019 -2.646 23.870 1.00 0.00 C ATOM 1329 C ALA A 88 -9.961 -4.122 24.233 1.00 0.00 C ATOM 1330 O ALA A 88 -9.582 -4.956 23.410 1.00 0.00 O ATOM 1331 CB ALA A 88 -11.352 -2.313 23.217 1.00 0.00 C ATOM 0 H ALA A 88 -9.197 -2.148 22.010 1.00 0.00 H new ATOM 0 HA ALA A 88 -9.923 -2.063 24.786 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.165 -2.580 23.892 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.395 -1.245 23.002 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.452 -2.874 22.288 1.00 0.00 H new ATOM 1337 N VAL A 89 -10.338 -4.447 25.462 1.00 0.00 N ATOM 1338 CA VAL A 89 -10.327 -5.831 25.917 1.00 0.00 C ATOM 1339 C VAL A 89 -11.667 -6.502 25.632 1.00 0.00 C ATOM 1340 O VAL A 89 -12.255 -7.142 26.505 1.00 0.00 O ATOM 1341 CB VAL A 89 -10.013 -5.939 27.425 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -9.558 -7.349 27.770 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -8.959 -4.920 27.841 1.00 0.00 C ATOM 0 H VAL A 89 -10.654 -3.774 26.160 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.537 -6.340 25.365 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.926 -5.721 27.978 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.340 -7.410 28.836 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.348 -8.058 27.520 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.660 -7.591 27.202 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.758 -5.019 28.908 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.041 -5.097 27.281 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.323 -3.914 27.633 1.00 0.00 H new ATOM 1353 N ASN A 90 -12.146 -6.346 24.402 1.00 0.00 N ATOM 1354 CA ASN A 90 -13.417 -6.927 23.992 1.00 0.00 C ATOM 1355 C ASN A 90 -13.208 -8.315 23.392 1.00 0.00 C ATOM 1356 O ASN A 90 -12.176 -8.591 22.785 1.00 0.00 O ATOM 1357 CB ASN A 90 -14.107 -6.014 22.977 1.00 0.00 C ATOM 1358 CG ASN A 90 -15.438 -6.565 22.500 1.00 0.00 C ATOM 1359 OD1 ASN A 90 -15.725 -6.574 21.303 1.00 0.00 O ATOM 1360 ND2 ASN A 90 -16.259 -7.025 23.436 1.00 0.00 N ATOM 0 H ASN A 90 -11.670 -5.819 23.670 1.00 0.00 H new ATOM 0 HA ASN A 90 -14.052 -7.025 24.873 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -14.265 -5.033 23.426 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -13.450 -5.870 22.119 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -17.169 -7.405 23.174 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -15.980 -6.998 24.417 1.00 0.00 H new ATOM 1367 N SER A 91 -14.198 -9.185 23.568 1.00 0.00 N ATOM 1368 CA SER A 91 -14.123 -10.544 23.043 1.00 0.00 C ATOM 1369 C SER A 91 -14.641 -10.607 21.609 1.00 0.00 C ATOM 1370 O SER A 91 -15.420 -11.495 21.258 1.00 0.00 O ATOM 1371 CB SER A 91 -14.924 -11.499 23.931 1.00 0.00 C ATOM 1372 OG SER A 91 -14.859 -11.108 25.291 1.00 0.00 O ATOM 0 H SER A 91 -15.061 -8.973 24.070 1.00 0.00 H new ATOM 0 HA SER A 91 -13.076 -10.849 23.043 1.00 0.00 H new ATOM 0 HB2 SER A 91 -15.964 -11.518 23.604 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.537 -12.512 23.822 1.00 0.00 H new ATOM 0 HG SER A 91 -15.380 -11.733 25.836 1.00 0.00 H new ATOM 1378 N ALA A 92 -14.205 -9.664 20.780 1.00 0.00 N ATOM 1379 CA ALA A 92 -14.626 -9.619 19.386 1.00 0.00 C ATOM 1380 C ALA A 92 -14.106 -10.829 18.620 1.00 0.00 C ATOM 1381 O ALA A 92 -14.882 -11.673 18.174 1.00 0.00 O ATOM 1382 CB ALA A 92 -14.144 -8.331 18.733 1.00 0.00 C ATOM 0 H ALA A 92 -13.560 -8.921 21.050 1.00 0.00 H new ATOM 0 HA ALA A 92 -15.715 -9.643 19.357 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -14.465 -8.309 17.691 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -14.566 -7.476 19.261 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -13.056 -8.285 18.779 1.00 0.00 H new ATOM 1388 N THR A 93 -12.787 -10.910 18.476 1.00 0.00 N ATOM 1389 CA THR A 93 -12.162 -12.021 17.767 1.00 0.00 C ATOM 1390 C THR A 93 -11.218 -12.790 18.687 1.00 0.00 C ATOM 1391 O THR A 93 -10.902 -12.337 19.787 1.00 0.00 O ATOM 1392 CB THR A 93 -11.405 -11.517 16.533 1.00 0.00 C ATOM 1393 OG1 THR A 93 -10.572 -12.539 16.003 1.00 0.00 O ATOM 1394 CG2 THR A 93 -10.546 -10.294 16.801 1.00 0.00 C ATOM 0 H THR A 93 -12.131 -10.220 18.841 1.00 0.00 H new ATOM 0 HA THR A 93 -12.951 -12.698 17.439 1.00 0.00 H new ATOM 0 HB THR A 93 -12.178 -11.232 15.819 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.098 -12.199 15.215 1.00 0.00 H new ATOM 0 HG21 THR A 93 -10.041 -9.995 15.882 1.00 0.00 H new ATOM 0 HG22 THR A 93 -11.176 -9.476 17.151 1.00 0.00 H new ATOM 0 HG23 THR A 93 -9.803 -10.531 17.563 1.00 0.00 H new ATOM 1402 N GLY A 94 -10.777 -13.958 18.232 1.00 0.00 N ATOM 1403 CA GLY A 94 -9.877 -14.772 19.029 1.00 0.00 C ATOM 1404 C GLY A 94 -8.426 -14.376 18.850 1.00 0.00 C ATOM 1405 O GLY A 94 -8.127 -13.326 18.281 1.00 0.00 O ATOM 0 H GLY A 94 -11.026 -14.356 17.326 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.147 -14.683 20.081 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.001 -15.820 18.755 1.00 0.00 H new ATOM 1409 N VAL A 95 -7.517 -15.216 19.339 1.00 0.00 N ATOM 1410 CA VAL A 95 -6.090 -14.942 19.226 1.00 0.00 C ATOM 1411 C VAL A 95 -5.549 -15.398 17.868 1.00 0.00 C ATOM 1412 O VAL A 95 -5.474 -16.594 17.588 1.00 0.00 O ATOM 1413 CB VAL A 95 -5.292 -15.620 20.367 1.00 0.00 C ATOM 1414 CG1 VAL A 95 -5.517 -17.126 20.380 1.00 0.00 C ATOM 1415 CG2 VAL A 95 -3.809 -15.293 20.255 1.00 0.00 C ATOM 0 H VAL A 95 -7.744 -16.089 19.816 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.961 -13.863 19.311 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.659 -15.223 21.313 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.943 -17.573 21.192 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -6.577 -17.334 20.527 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.192 -17.551 19.430 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.267 -15.779 21.066 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.429 -15.651 19.298 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.668 -14.214 20.320 1.00 0.00 H new ATOM 1425 N PRO A 96 -5.168 -14.444 16.997 1.00 0.00 N ATOM 1426 CA PRO A 96 -4.640 -14.762 15.666 1.00 0.00 C ATOM 1427 C PRO A 96 -3.264 -15.415 15.730 1.00 0.00 C ATOM 1428 O PRO A 96 -2.400 -14.994 16.500 1.00 0.00 O ATOM 1429 CB PRO A 96 -4.556 -13.397 14.979 1.00 0.00 C ATOM 1430 CG PRO A 96 -4.433 -12.417 16.094 1.00 0.00 C ATOM 1431 CD PRO A 96 -5.224 -12.990 17.236 1.00 0.00 C ATOM 0 HA PRO A 96 -5.270 -15.479 15.139 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.698 -13.344 14.309 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.443 -13.202 14.377 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -3.390 -12.274 16.375 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.821 -11.441 15.801 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.789 -12.724 18.199 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.250 -12.623 17.238 1.00 0.00 H new ATOM 1439 N THR A 97 -3.065 -16.447 14.916 1.00 0.00 N ATOM 1440 CA THR A 97 -1.793 -17.159 14.881 1.00 0.00 C ATOM 1441 C THR A 97 -0.869 -16.574 13.816 1.00 0.00 C ATOM 1442 O THR A 97 0.324 -16.381 14.054 1.00 0.00 O ATOM 1443 CB THR A 97 -2.023 -18.648 14.620 1.00 0.00 C ATOM 1444 OG1 THR A 97 -0.802 -19.364 14.684 1.00 0.00 O ATOM 1445 CG2 THR A 97 -2.654 -18.934 13.276 1.00 0.00 C ATOM 0 H THR A 97 -3.768 -16.809 14.272 1.00 0.00 H new ATOM 0 HA THR A 97 -1.313 -17.041 15.852 1.00 0.00 H new ATOM 0 HB THR A 97 -2.712 -18.972 15.400 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.971 -20.315 14.516 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.788 -20.009 13.158 1.00 0.00 H new ATOM 0 HG22 THR A 97 -3.623 -18.439 13.216 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.006 -18.560 12.483 1.00 0.00 H new ATOM 1453 N VAL A 98 -1.426 -16.292 12.642 1.00 0.00 N ATOM 1454 CA VAL A 98 -0.647 -15.726 11.546 1.00 0.00 C ATOM 1455 C VAL A 98 -1.139 -14.327 11.189 1.00 0.00 C ATOM 1456 O VAL A 98 -0.925 -13.900 10.035 1.00 0.00 O ATOM 1457 CB VAL A 98 -0.708 -16.614 10.287 1.00 0.00 C ATOM 1458 CG1 VAL A 98 0.059 -17.909 10.507 1.00 0.00 C ATOM 1459 CG2 VAL A 98 -2.153 -16.897 9.897 1.00 0.00 C ATOM 1460 OXT VAL A 98 -1.736 -13.669 12.067 1.00 0.00 O ATOM 0 H VAL A 98 -2.411 -16.446 12.426 1.00 0.00 H new ATOM 0 HA VAL A 98 0.386 -15.672 11.891 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.236 -16.076 9.465 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.004 -18.522 9.607 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.102 -17.681 10.728 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.378 -18.453 11.344 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.173 -17.525 9.006 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.657 -17.412 10.715 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.665 -15.957 9.690 1.00 0.00 H new TER 1470 VAL A 98 ATOM 1471 N VAL B 1 10.774 21.724 6.463 1.00 0.00 N ATOM 1472 CA VAL B 1 9.302 21.915 6.564 1.00 0.00 C ATOM 1473 C VAL B 1 8.535 20.727 5.987 1.00 0.00 C ATOM 1474 O VAL B 1 7.526 20.303 6.550 1.00 0.00 O ATOM 1475 CB VAL B 1 8.834 23.204 5.850 1.00 0.00 C ATOM 1476 CG1 VAL B 1 8.959 24.402 6.779 1.00 0.00 C ATOM 1477 CG2 VAL B 1 9.610 23.435 4.560 1.00 0.00 C ATOM 0 H1 VAL B 1 11.257 22.608 6.722 1.00 0.00 H new ATOM 0 H2 VAL B 1 11.071 20.965 7.109 1.00 0.00 H new ATOM 0 H3 VAL B 1 11.024 21.466 5.487 1.00 0.00 H new ATOM 0 HA VAL B 1 9.086 22.000 7.629 1.00 0.00 H new ATOM 0 HB VAL B 1 7.784 23.080 5.585 1.00 0.00 H new ATOM 0 HG11 VAL B 1 8.625 25.301 6.260 1.00 0.00 H new ATOM 0 HG12 VAL B 1 8.342 24.243 7.663 1.00 0.00 H new ATOM 0 HG13 VAL B 1 10.000 24.522 7.080 1.00 0.00 H new ATOM 0 HG21 VAL B 1 9.257 24.349 4.082 1.00 0.00 H new ATOM 0 HG22 VAL B 1 10.672 23.530 4.786 1.00 0.00 H new ATOM 0 HG23 VAL B 1 9.457 22.591 3.887 1.00 0.00 H new ATOM 1489 N LEU B 2 9.009 20.189 4.866 1.00 0.00 N ATOM 1490 CA LEU B 2 8.346 19.055 4.238 1.00 0.00 C ATOM 1491 C LEU B 2 8.607 17.773 5.024 1.00 0.00 C ATOM 1492 O LEU B 2 9.386 16.916 4.604 1.00 0.00 O ATOM 1493 CB LEU B 2 8.814 18.894 2.788 1.00 0.00 C ATOM 1494 CG LEU B 2 7.689 18.795 1.755 1.00 0.00 C ATOM 1495 CD1 LEU B 2 7.335 20.172 1.213 1.00 0.00 C ATOM 1496 CD2 LEU B 2 8.087 17.862 0.622 1.00 0.00 C ATOM 0 H LEU B 2 9.843 20.518 4.379 1.00 0.00 H new ATOM 0 HA LEU B 2 7.273 19.246 4.238 1.00 0.00 H new ATOM 0 HB2 LEU B 2 9.450 19.741 2.531 1.00 0.00 H new ATOM 0 HB3 LEU B 2 9.432 17.999 2.718 1.00 0.00 H new ATOM 0 HG LEU B 2 6.807 18.384 2.247 1.00 0.00 H new ATOM 0 HD11 LEU B 2 6.533 20.080 0.480 1.00 0.00 H new ATOM 0 HD12 LEU B 2 7.006 20.812 2.032 1.00 0.00 H new ATOM 0 HD13 LEU B 2 8.212 20.612 0.738 1.00 0.00 H new ATOM 0 HD21 LEU B 2 7.275 17.803 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU B 2 8.983 18.244 0.134 1.00 0.00 H new ATOM 0 HD23 LEU B 2 8.288 16.868 1.022 1.00 0.00 H new ATOM 1508 N MET B 3 7.945 17.653 6.173 1.00 0.00 N ATOM 1509 CA MET B 3 8.093 16.482 7.030 1.00 0.00 C ATOM 1510 C MET B 3 7.232 15.331 6.522 1.00 0.00 C ATOM 1511 O MET B 3 7.748 14.328 6.028 1.00 0.00 O ATOM 1512 CB MET B 3 7.709 16.824 8.471 1.00 0.00 C ATOM 1513 CG MET B 3 8.859 16.699 9.453 1.00 0.00 C ATOM 1514 SD MET B 3 10.204 17.844 9.093 1.00 0.00 S ATOM 1515 CE MET B 3 11.626 16.781 9.325 1.00 0.00 C ATOM 0 H MET B 3 7.299 18.356 6.532 1.00 0.00 H new ATOM 0 HA MET B 3 9.138 16.173 7.006 1.00 0.00 H new ATOM 0 HB2 MET B 3 7.324 17.843 8.503 1.00 0.00 H new ATOM 0 HB3 MET B 3 6.899 16.167 8.788 1.00 0.00 H new ATOM 0 HG2 MET B 3 8.491 16.882 10.463 1.00 0.00 H new ATOM 0 HG3 MET B 3 9.240 15.678 9.433 1.00 0.00 H new ATOM 0 HE1 MET B 3 12.538 17.347 9.137 1.00 0.00 H new ATOM 0 HE2 MET B 3 11.636 16.405 10.348 1.00 0.00 H new ATOM 0 HE3 MET B 3 11.571 15.942 8.631 1.00 0.00 H new ATOM 1525 N SER B 4 5.916 15.487 6.636 1.00 0.00 N ATOM 1526 CA SER B 4 4.989 14.463 6.176 1.00 0.00 C ATOM 1527 C SER B 4 4.995 14.411 4.654 1.00 0.00 C ATOM 1528 O SER B 4 5.197 15.428 3.993 1.00 0.00 O ATOM 1529 CB SER B 4 3.576 14.746 6.689 1.00 0.00 C ATOM 1530 OG SER B 4 3.494 14.557 8.092 1.00 0.00 O ATOM 0 H SER B 4 5.471 16.310 7.042 1.00 0.00 H new ATOM 0 HA SER B 4 5.309 13.498 6.569 1.00 0.00 H new ATOM 0 HB2 SER B 4 3.294 15.769 6.440 1.00 0.00 H new ATOM 0 HB3 SER B 4 2.866 14.088 6.188 1.00 0.00 H new ATOM 0 HG SER B 4 2.581 14.746 8.395 1.00 0.00 H new ATOM 1536 N LYS B 5 4.797 13.222 4.102 1.00 0.00 N ATOM 1537 CA LYS B 5 4.808 13.053 2.657 1.00 0.00 C ATOM 1538 C LYS B 5 3.416 13.241 2.050 1.00 0.00 C ATOM 1539 O LYS B 5 2.457 13.561 2.752 1.00 0.00 O ATOM 1540 CB LYS B 5 5.384 11.696 2.283 1.00 0.00 C ATOM 1541 CG LYS B 5 6.655 11.355 3.044 1.00 0.00 C ATOM 1542 CD LYS B 5 7.897 11.729 2.251 1.00 0.00 C ATOM 1543 CE LYS B 5 8.453 13.073 2.688 1.00 0.00 C ATOM 1544 NZ LYS B 5 7.863 14.198 1.910 1.00 0.00 N ATOM 0 H LYS B 5 4.628 12.366 4.630 1.00 0.00 H new ATOM 0 HA LYS B 5 5.449 13.830 2.240 1.00 0.00 H new ATOM 0 HB2 LYS B 5 4.636 10.926 2.474 1.00 0.00 H new ATOM 0 HB3 LYS B 5 5.593 11.679 1.213 1.00 0.00 H new ATOM 0 HG2 LYS B 5 6.660 11.880 3.999 1.00 0.00 H new ATOM 0 HG3 LYS B 5 6.672 10.288 3.267 1.00 0.00 H new ATOM 0 HD2 LYS B 5 8.658 10.960 2.381 1.00 0.00 H new ATOM 0 HD3 LYS B 5 7.655 11.762 1.189 1.00 0.00 H new ATOM 0 HE2 LYS B 5 8.253 13.221 3.749 1.00 0.00 H new ATOM 0 HE3 LYS B 5 9.536 13.075 2.565 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 8.626 14.779 1.506 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 7.274 13.818 1.142 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 7.277 14.784 2.538 1.00 0.00 H new ATOM 1558 N LEU B 6 3.327 13.064 0.734 1.00 0.00 N ATOM 1559 CA LEU B 6 2.067 13.237 0.009 1.00 0.00 C ATOM 1560 C LEU B 6 1.042 12.158 0.366 1.00 0.00 C ATOM 1561 O LEU B 6 -0.150 12.443 0.468 1.00 0.00 O ATOM 1562 CB LEU B 6 2.319 13.228 -1.502 1.00 0.00 C ATOM 1563 CG LEU B 6 3.250 14.330 -2.023 1.00 0.00 C ATOM 1564 CD1 LEU B 6 4.177 13.783 -3.100 1.00 0.00 C ATOM 1565 CD2 LEU B 6 2.445 15.501 -2.566 1.00 0.00 C ATOM 0 H LEU B 6 4.116 12.800 0.144 1.00 0.00 H new ATOM 0 HA LEU B 6 1.654 14.200 0.309 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.740 12.261 -1.777 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.360 13.315 -2.013 1.00 0.00 H new ATOM 0 HG LEU B 6 3.857 14.684 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.830 14.580 -3.457 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.782 12.977 -2.684 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.584 13.400 -3.931 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.124 16.272 -2.930 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.812 15.159 -3.385 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.821 15.913 -1.773 1.00 0.00 H new ATOM 1577 N SER B 7 1.500 10.921 0.549 1.00 0.00 N ATOM 1578 CA SER B 7 0.605 9.822 0.886 1.00 0.00 C ATOM 1579 C SER B 7 0.834 9.334 2.314 1.00 0.00 C ATOM 1580 O SER B 7 1.650 8.448 2.552 1.00 0.00 O ATOM 1581 CB SER B 7 0.813 8.672 -0.093 1.00 0.00 C ATOM 1582 OG SER B 7 0.482 9.059 -1.417 1.00 0.00 O ATOM 0 H SER B 7 2.482 10.658 0.469 1.00 0.00 H new ATOM 0 HA SER B 7 -0.420 10.186 0.815 1.00 0.00 H new ATOM 0 HB2 SER B 7 1.852 8.343 -0.056 1.00 0.00 H new ATOM 0 HB3 SER B 7 0.199 7.822 0.205 1.00 0.00 H new ATOM 0 HG SER B 7 -0.337 8.600 -1.697 1.00 0.00 H new ATOM 1588 N VAL B 8 0.104 9.913 3.261 1.00 0.00 N ATOM 1589 CA VAL B 8 0.228 9.530 4.663 1.00 0.00 C ATOM 1590 C VAL B 8 -0.552 8.249 4.955 1.00 0.00 C ATOM 1591 O VAL B 8 -1.023 7.581 4.035 1.00 0.00 O ATOM 1592 CB VAL B 8 -0.265 10.657 5.590 1.00 0.00 C ATOM 1593 CG1 VAL B 8 0.580 11.908 5.398 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.735 10.958 5.336 1.00 0.00 C ATOM 0 H VAL B 8 -0.580 10.649 3.084 1.00 0.00 H new ATOM 0 HA VAL B 8 1.285 9.350 4.857 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.160 10.324 6.623 1.00 0.00 H new ATOM 0 HG11 VAL B 8 0.220 12.696 6.060 1.00 0.00 H new ATOM 0 HG12 VAL B 8 1.620 11.684 5.634 1.00 0.00 H new ATOM 0 HG13 VAL B 8 0.506 12.242 4.363 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -2.063 11.757 6.001 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.869 11.270 4.300 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -2.328 10.063 5.524 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.680 7.904 6.236 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.398 6.697 6.642 1.00 0.00 C ATOM 1606 C ASN B 9 -2.923 6.867 6.525 1.00 0.00 C ATOM 1607 O ASN B 9 -3.667 6.498 7.434 1.00 0.00 O ATOM 1608 CB ASN B 9 -1.018 6.334 8.080 1.00 0.00 C ATOM 1609 CG ASN B 9 -1.385 4.907 8.434 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -0.378 4.046 8.527 1.00 0.00 O flip ATOM 1611 ND2 ASN B 9 -2.558 4.583 8.626 1.00 0.00 N flip ATOM 0 H ASN B 9 -0.295 8.444 7.011 1.00 0.00 H new ATOM 0 HA ASN B 9 -1.108 5.892 5.967 1.00 0.00 H new ATOM 0 HB2 ASN B 9 0.054 6.474 8.216 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -1.518 7.016 8.768 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -3.299 5.279 8.544 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -2.788 3.619 8.867 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.376 7.438 5.404 1.00 0.00 N ATOM 1619 CA ALA B 10 -4.803 7.672 5.161 1.00 0.00 C ATOM 1620 C ALA B 10 -5.640 6.418 5.431 1.00 0.00 C ATOM 1621 O ALA B 10 -5.094 5.368 5.767 1.00 0.00 O ATOM 1622 CB ALA B 10 -4.995 8.150 3.729 1.00 0.00 C ATOM 0 H ALA B 10 -2.769 7.749 4.645 1.00 0.00 H new ATOM 0 HA ALA B 10 -5.150 8.439 5.853 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -6.055 8.326 3.543 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -4.442 9.077 3.577 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -4.627 7.391 3.039 1.00 0.00 H new ATOM 1628 N PRO B 11 -6.986 6.513 5.300 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.891 5.377 5.540 1.00 0.00 C ATOM 1630 C PRO B 11 -7.457 4.115 4.800 1.00 0.00 C ATOM 1631 O PRO B 11 -6.322 4.016 4.345 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.234 5.885 5.013 1.00 0.00 C ATOM 1633 CG PRO B 11 -9.165 7.358 5.200 1.00 0.00 C ATOM 1634 CD PRO B 11 -7.735 7.732 4.927 1.00 0.00 C ATOM 0 HA PRO B 11 -7.913 5.084 6.590 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.375 5.623 3.964 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -10.068 5.452 5.565 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -9.842 7.872 4.518 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.458 7.639 6.212 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.581 7.994 3.880 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.424 8.592 5.520 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.365 3.154 4.661 1.00 0.00 N ATOM 1643 CA GLU B 12 -8.065 1.917 3.947 1.00 0.00 C ATOM 1644 C GLU B 12 -8.215 2.091 2.439 1.00 0.00 C ATOM 1645 O GLU B 12 -8.441 3.196 1.945 1.00 0.00 O ATOM 1646 CB GLU B 12 -8.976 0.786 4.429 1.00 0.00 C ATOM 1647 CG GLU B 12 -8.253 -0.539 4.621 1.00 0.00 C ATOM 1648 CD GLU B 12 -7.311 -0.520 5.806 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -7.463 0.369 6.671 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -6.420 -1.391 5.869 1.00 0.00 O ATOM 0 H GLU B 12 -9.313 3.208 5.033 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.027 1.660 4.160 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.437 1.079 5.372 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -9.783 0.649 3.709 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -8.987 -1.333 4.757 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -7.691 -0.776 3.718 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.066 0.984 1.720 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.167 1.009 0.269 1.00 0.00 C ATOM 1659 C PHE B 13 -9.527 0.497 -0.195 1.00 0.00 C ATOM 1660 O PHE B 13 -9.843 -0.689 -0.121 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.033 0.221 -0.382 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.026 -1.241 -0.069 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -6.574 -1.712 1.152 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.450 -2.149 -1.017 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -6.556 -3.067 1.416 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.428 -3.500 -0.761 1.00 0.00 C ATOM 1667 CZ PHE B 13 -6.984 -3.959 0.450 1.00 0.00 C ATOM 0 H PHE B 13 -7.876 0.064 2.117 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.072 2.047 -0.050 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.096 0.347 -1.463 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.082 0.651 -0.066 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -6.233 -1.015 1.903 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -7.804 -1.794 -1.974 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.209 -3.429 2.373 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -7.761 -4.198 -1.515 1.00 0.00 H new ATOM 0 HZ PHE B 13 -6.968 -5.020 0.651 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.304 1.453 -0.689 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.639 1.213 -1.209 1.00 0.00 C ATOM 1679 C TYR B 14 -11.727 1.550 -2.694 1.00 0.00 C ATOM 1680 O TYR B 14 -10.783 2.095 -3.272 1.00 0.00 O ATOM 1681 CB TYR B 14 -12.662 2.005 -0.407 1.00 0.00 C ATOM 1682 CG TYR B 14 -13.369 1.145 0.610 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -12.639 0.378 1.508 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -14.753 1.078 0.658 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -13.268 -0.429 2.431 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -15.392 0.269 1.580 1.00 0.00 C ATOM 1687 CZ TYR B 14 -14.645 -0.481 2.464 1.00 0.00 C ATOM 1688 OH TYR B 14 -15.276 -1.291 3.382 1.00 0.00 O ATOM 0 H TYR B 14 -10.017 2.431 -0.739 1.00 0.00 H new ATOM 0 HA TYR B 14 -11.861 0.151 -1.105 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -12.164 2.832 0.100 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.395 2.442 -1.085 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -11.560 0.414 1.483 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -15.340 1.665 -0.033 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -12.685 -1.017 3.125 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -16.471 0.225 1.608 1.00 0.00 H new ATOM 0 HH TYR B 14 -16.247 -1.213 3.275 1.00 0.00 H new ATOM 1698 N PRO B 15 -12.867 1.231 -3.336 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.070 1.507 -4.762 1.00 0.00 C ATOM 1700 C PRO B 15 -13.252 2.993 -5.066 1.00 0.00 C ATOM 1701 O PRO B 15 -14.370 3.516 -5.091 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.321 0.710 -5.096 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.082 0.662 -3.817 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.048 0.585 -2.728 1.00 0.00 C ATOM 0 HA PRO B 15 -12.203 1.226 -5.360 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -14.900 1.191 -5.885 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.072 -0.291 -5.448 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -15.707 1.547 -3.701 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -15.745 -0.203 -3.789 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.373 1.106 -1.827 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -13.840 -0.446 -2.442 1.00 0.00 H new ATOM 1712 N SER B 16 -12.136 3.655 -5.328 1.00 0.00 N ATOM 1713 CA SER B 16 -12.133 5.077 -5.652 1.00 0.00 C ATOM 1714 C SER B 16 -13.024 5.367 -6.848 1.00 0.00 C ATOM 1715 O SER B 16 -13.978 6.141 -6.752 1.00 0.00 O ATOM 1716 CB SER B 16 -10.715 5.538 -5.946 1.00 0.00 C ATOM 1717 OG SER B 16 -10.427 6.755 -5.279 1.00 0.00 O ATOM 0 H SER B 16 -11.210 3.227 -5.323 1.00 0.00 H new ATOM 0 HA SER B 16 -12.523 5.622 -4.792 1.00 0.00 H new ATOM 0 HB2 SER B 16 -10.007 4.771 -5.632 1.00 0.00 H new ATOM 0 HB3 SER B 16 -10.587 5.669 -7.020 1.00 0.00 H new ATOM 0 HG SER B 16 -9.506 6.734 -4.943 1.00 0.00 H new ATOM 1723 N GLY B 17 -12.720 4.737 -7.977 1.00 0.00 N ATOM 1724 CA GLY B 17 -13.511 4.937 -9.167 1.00 0.00 C ATOM 1725 C GLY B 17 -14.715 4.021 -9.218 1.00 0.00 C ATOM 1726 O GLY B 17 -14.929 3.326 -10.213 1.00 0.00 O ATOM 0 H GLY B 17 -11.938 4.091 -8.085 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -13.844 5.974 -9.209 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -12.890 4.766 -10.046 1.00 0.00 H new ATOM 1730 N TYR B 18 -15.517 4.029 -8.156 1.00 0.00 N ATOM 1731 CA TYR B 18 -16.717 3.202 -8.103 1.00 0.00 C ATOM 1732 C TYR B 18 -17.630 3.506 -9.290 1.00 0.00 C ATOM 1733 O TYR B 18 -18.153 4.613 -9.411 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.468 3.457 -6.794 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.192 2.245 -6.252 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.488 1.158 -5.768 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.578 2.193 -6.224 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.140 0.045 -5.271 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -20.241 1.088 -5.729 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.516 0.014 -5.253 1.00 0.00 C ATOM 1741 OH TYR B 18 -20.171 -1.090 -4.759 1.00 0.00 O ATOM 0 H TYR B 18 -15.358 4.597 -7.324 1.00 0.00 H new ATOM 0 HA TYR B 18 -16.419 2.155 -8.150 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -16.760 3.810 -6.044 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.190 4.258 -6.952 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.408 1.179 -5.778 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -20.148 3.031 -6.596 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.573 -0.795 -4.899 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -21.321 1.064 -5.714 1.00 0.00 H new ATOM 0 HH TYR B 18 -21.111 -0.866 -4.593 1.00 0.00 H new ATOM 1751 N SER B 19 -17.814 2.522 -10.165 1.00 0.00 N ATOM 1752 CA SER B 19 -18.664 2.700 -11.339 1.00 0.00 C ATOM 1753 C SER B 19 -20.132 2.501 -10.978 1.00 0.00 C ATOM 1754 O SER B 19 -20.781 1.568 -11.449 1.00 0.00 O ATOM 1755 CB SER B 19 -18.259 1.723 -12.442 1.00 0.00 C ATOM 1756 OG SER B 19 -18.442 2.296 -13.726 1.00 0.00 O ATOM 0 H SER B 19 -17.389 1.598 -10.085 1.00 0.00 H new ATOM 0 HA SER B 19 -18.532 3.719 -11.703 1.00 0.00 H new ATOM 0 HB2 SER B 19 -17.215 1.438 -12.314 1.00 0.00 H new ATOM 0 HB3 SER B 19 -18.851 0.812 -12.360 1.00 0.00 H new ATOM 0 HG SER B 19 -18.174 1.651 -14.413 1.00 0.00 H new ATOM 1762 N SER B 20 -20.649 3.387 -10.133 1.00 0.00 N ATOM 1763 CA SER B 20 -22.038 3.310 -9.699 1.00 0.00 C ATOM 1764 C SER B 20 -22.895 4.350 -10.413 1.00 0.00 C ATOM 1765 O SER B 20 -22.475 4.947 -11.403 1.00 0.00 O ATOM 1766 CB SER B 20 -22.127 3.517 -8.187 1.00 0.00 C ATOM 1767 OG SER B 20 -22.860 2.474 -7.568 1.00 0.00 O ATOM 0 H SER B 20 -20.126 4.167 -9.735 1.00 0.00 H new ATOM 0 HA SER B 20 -22.417 2.320 -9.953 1.00 0.00 H new ATOM 0 HB2 SER B 20 -21.123 3.560 -7.764 1.00 0.00 H new ATOM 0 HB3 SER B 20 -22.603 4.474 -7.976 1.00 0.00 H new ATOM 0 HG SER B 20 -22.900 2.631 -6.601 1.00 0.00 H new ATOM 1773 N SER B 21 -24.100 4.562 -9.893 1.00 0.00 N ATOM 1774 CA SER B 21 -25.025 5.531 -10.463 1.00 0.00 C ATOM 1775 C SER B 21 -25.325 6.648 -9.464 1.00 0.00 C ATOM 1776 O SER B 21 -26.285 7.401 -9.632 1.00 0.00 O ATOM 1777 CB SER B 21 -26.324 4.837 -10.878 1.00 0.00 C ATOM 1778 OG SER B 21 -26.176 4.174 -12.121 1.00 0.00 O ATOM 0 H SER B 21 -24.459 4.072 -9.073 1.00 0.00 H new ATOM 0 HA SER B 21 -24.559 5.973 -11.344 1.00 0.00 H new ATOM 0 HB2 SER B 21 -26.616 4.119 -10.112 1.00 0.00 H new ATOM 0 HB3 SER B 21 -27.126 5.572 -10.948 1.00 0.00 H new ATOM 0 HG SER B 21 -27.020 3.738 -12.362 1.00 0.00 H new ATOM 1784 N TYR B 22 -24.501 6.749 -8.424 1.00 0.00 N ATOM 1785 CA TYR B 22 -24.679 7.770 -7.400 1.00 0.00 C ATOM 1786 C TYR B 22 -23.943 9.052 -7.779 1.00 0.00 C ATOM 1787 O TYR B 22 -24.396 10.139 -7.362 1.00 0.00 O ATOM 1788 CB TYR B 22 -24.179 7.258 -6.047 1.00 0.00 C ATOM 1789 CG TYR B 22 -25.283 7.024 -5.040 1.00 0.00 C ATOM 1790 CD1 TYR B 22 -26.260 6.061 -5.265 1.00 0.00 C ATOM 1791 CD2 TYR B 22 -25.348 7.764 -3.868 1.00 0.00 C ATOM 1792 CE1 TYR B 22 -27.271 5.845 -4.347 1.00 0.00 C ATOM 1793 CE2 TYR B 22 -26.354 7.554 -2.945 1.00 0.00 C ATOM 1794 CZ TYR B 22 -27.313 6.593 -3.189 1.00 0.00 C ATOM 1795 OH TYR B 22 -28.320 6.379 -2.273 1.00 0.00 O ATOM 1796 OXT TYR B 22 -22.919 8.956 -8.486 1.00 0.00 O ATOM 0 H TYR B 22 -23.702 6.134 -8.270 1.00 0.00 H new ATOM 0 HA TYR B 22 -25.743 7.993 -7.323 1.00 0.00 H new ATOM 0 HB2 TYR B 22 -23.635 6.326 -6.200 1.00 0.00 H new ATOM 0 HB3 TYR B 22 -23.470 7.977 -5.636 1.00 0.00 H new ATOM 0 HD1 TYR B 22 -26.229 5.473 -6.170 1.00 0.00 H new ATOM 0 HD2 TYR B 22 -24.599 8.517 -3.674 1.00 0.00 H new ATOM 0 HE1 TYR B 22 -28.024 5.094 -4.536 1.00 0.00 H new ATOM 0 HE2 TYR B 22 -26.389 8.139 -2.038 1.00 0.00 H new ATOM 0 HH TYR B 22 -28.205 6.986 -1.513 1.00 0.00 H new TER 1806 TYR B 22