USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 738 hydrogens (10 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 30 THR OG1 : rot -53:sc= -0.38 USER MOD Set 1.2: A 32 TYR OH : rot -59:sc= -0.126 USER MOD Set 2.1: A 14 SER OG : rot 180:sc= 0.343 USER MOD Set 2.2: A 113 ASN : amide:sc= 0.364 X(o=0.71,f=0.31) USER MOD Single : A 1 ALA N :NH3+ -117:sc= 0.133 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00607 USER MOD Single : A 8 THR OG1 : rot 180:sc=-0.00169 USER MOD Single : A 10 SER OG : rot -170:sc= 0.0572 USER MOD Single : A 11 SER OG : rot 180:sc= -0.672 USER MOD Single : A 17 THR OG1 : rot 93:sc= 1.22 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.169 K(o=-0.17,f=-0.7) USER MOD Single : A 36 GLN : amide:sc= -1.43! C(o=-1.4!,f=-6.6!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.18 USER MOD Single : A 48 ASN : amide:sc= -1.38! C(o=-1.4!,f=-10!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.15 USER MOD Single : A 54 SER OG : rot -69:sc= 1.3 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 62 SER OG : rot 74:sc= 0.257 USER MOD Single : A 64 SER OG : rot 21:sc= 0.701 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00208 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 134:sc= 1.24 USER MOD Single : A 72 SER OG : rot -109:sc= 1.29 USER MOD Single : A 81 THR OG1 : rot 112:sc= 1.09 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0169 K(o=-0.017,f=-3.6!) USER MOD Single : A 98 SER OG : rot 135:sc= 0.402 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.448 5.193 15.489 1.00 0.00 N ATOM 2 CA ALA A 1 -16.968 3.831 15.248 1.00 0.00 C ATOM 3 C ALA A 1 -15.819 2.864 15.009 1.00 0.00 C ATOM 4 O ALA A 1 -14.671 3.283 14.852 1.00 0.00 O ATOM 5 CB ALA A 1 -17.915 3.827 14.059 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.704 5.497 16.450 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.413 5.192 15.390 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.861 5.850 14.797 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.519 3.509 16.131 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.289 2.816 13.895 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.752 4.496 14.258 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.384 4.166 13.170 1.00 0.00 H new ATOM 11 N ALA A 2 -16.122 1.576 14.994 1.00 0.00 N ATOM 12 CA ALA A 2 -15.110 0.556 14.767 1.00 0.00 C ATOM 13 C ALA A 2 -15.178 0.038 13.336 1.00 0.00 C ATOM 14 O ALA A 2 -16.105 -0.688 12.978 1.00 0.00 O ATOM 15 CB ALA A 2 -15.285 -0.591 15.751 1.00 0.00 C ATOM 0 H ALA A 2 -17.064 1.211 15.137 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.130 1.006 14.923 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.521 -1.346 15.569 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.188 -0.215 16.769 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.272 -1.035 15.621 1.00 0.00 H new ATOM 21 N PRO A 3 -14.208 0.415 12.494 1.00 0.00 N ATOM 22 CA PRO A 3 -14.166 -0.021 11.102 1.00 0.00 C ATOM 23 C PRO A 3 -13.628 -1.444 10.970 1.00 0.00 C ATOM 24 O PRO A 3 -13.167 -2.038 11.950 1.00 0.00 O ATOM 25 CB PRO A 3 -13.215 0.983 10.454 1.00 0.00 C ATOM 26 CG PRO A 3 -12.285 1.383 11.547 1.00 0.00 C ATOM 27 CD PRO A 3 -13.070 1.292 12.833 1.00 0.00 C ATOM 0 HA PRO A 3 -15.153 -0.046 10.640 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.676 0.536 9.619 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.756 1.843 10.060 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.415 0.726 11.576 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.914 2.396 11.390 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.468 0.872 13.639 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.407 2.274 13.165 1.00 0.00 H new ATOM 35 N THR A 4 -13.686 -1.986 9.765 1.00 0.00 N ATOM 36 CA THR A 4 -13.210 -3.336 9.519 1.00 0.00 C ATOM 37 C THR A 4 -12.186 -3.358 8.390 1.00 0.00 C ATOM 38 O THR A 4 -12.486 -2.972 7.257 1.00 0.00 O ATOM 39 CB THR A 4 -14.377 -4.286 9.178 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.308 -3.638 8.301 1.00 0.00 O ATOM 41 CG2 THR A 4 -15.097 -4.737 10.440 1.00 0.00 C ATOM 0 H THR A 4 -14.058 -1.512 8.942 1.00 0.00 H new ATOM 0 HA THR A 4 -12.733 -3.682 10.436 1.00 0.00 H new ATOM 0 HB THR A 4 -13.961 -5.162 8.680 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.042 -4.252 8.092 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.915 -5.406 10.173 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.397 -5.262 11.090 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.495 -3.867 10.962 1.00 0.00 H new ATOM 49 N ALA A 5 -10.973 -3.782 8.706 1.00 0.00 N ATOM 50 CA ALA A 5 -9.912 -3.860 7.716 1.00 0.00 C ATOM 51 C ALA A 5 -9.460 -5.303 7.542 1.00 0.00 C ATOM 52 O ALA A 5 -8.642 -5.811 8.313 1.00 0.00 O ATOM 53 CB ALA A 5 -8.741 -2.981 8.118 1.00 0.00 C ATOM 0 H ALA A 5 -10.699 -4.078 9.643 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.299 -3.499 6.763 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.957 -3.053 7.364 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.074 -1.946 8.198 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.351 -3.312 9.080 1.00 0.00 H new ATOM 59 N THR A 6 -10.011 -5.968 6.542 1.00 0.00 N ATOM 60 CA THR A 6 -9.671 -7.352 6.269 1.00 0.00 C ATOM 61 C THR A 6 -8.919 -7.475 4.949 1.00 0.00 C ATOM 62 O THR A 6 -9.521 -7.506 3.875 1.00 0.00 O ATOM 63 CB THR A 6 -10.933 -8.232 6.227 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.102 -7.407 6.078 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.048 -9.070 7.492 1.00 0.00 C ATOM 0 H THR A 6 -10.699 -5.569 5.903 1.00 0.00 H new ATOM 0 HA THR A 6 -9.028 -7.698 7.078 1.00 0.00 H new ATOM 0 HB THR A 6 -10.856 -8.905 5.373 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.901 -7.974 6.050 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.947 -9.684 7.441 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.173 -9.714 7.583 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.106 -8.413 8.360 1.00 0.00 H new ATOM 73 N VAL A 7 -7.600 -7.520 5.027 1.00 0.00 N ATOM 74 CA VAL A 7 -6.777 -7.641 3.837 1.00 0.00 C ATOM 75 C VAL A 7 -6.177 -9.038 3.749 1.00 0.00 C ATOM 76 O VAL A 7 -6.134 -9.764 4.744 1.00 0.00 O ATOM 77 CB VAL A 7 -5.644 -6.586 3.814 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.202 -5.192 4.074 1.00 0.00 C ATOM 79 CG2 VAL A 7 -4.554 -6.928 4.826 1.00 0.00 C ATOM 0 H VAL A 7 -7.077 -7.475 5.901 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.421 -7.465 2.976 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.195 -6.597 2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.390 -4.465 4.054 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.931 -4.943 3.303 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.684 -5.170 5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.771 -6.170 4.788 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.983 -6.956 5.828 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.128 -7.902 4.586 1.00 0.00 H new ATOM 89 N THR A 8 -5.740 -9.419 2.559 1.00 0.00 N ATOM 90 CA THR A 8 -5.129 -10.722 2.350 1.00 0.00 C ATOM 91 C THR A 8 -3.620 -10.572 2.185 1.00 0.00 C ATOM 92 O THR A 8 -3.143 -10.211 1.111 1.00 0.00 O ATOM 93 CB THR A 8 -5.706 -11.419 1.106 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.128 -11.240 1.061 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.375 -12.906 1.116 1.00 0.00 C ATOM 0 H THR A 8 -5.798 -8.842 1.720 1.00 0.00 H new ATOM 0 HA THR A 8 -5.348 -11.334 3.225 1.00 0.00 H new ATOM 0 HB THR A 8 -5.255 -10.970 0.221 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.489 -11.685 0.266 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.793 -13.378 0.227 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.293 -13.038 1.122 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.802 -13.368 2.006 1.00 0.00 H new ATOM 103 N PRO A 9 -2.851 -10.833 3.249 1.00 0.00 N ATOM 104 CA PRO A 9 -1.394 -10.713 3.208 1.00 0.00 C ATOM 105 C PRO A 9 -0.748 -11.828 2.393 1.00 0.00 C ATOM 106 O PRO A 9 -1.220 -12.968 2.385 1.00 0.00 O ATOM 107 CB PRO A 9 -0.986 -10.801 4.677 1.00 0.00 C ATOM 108 CG PRO A 9 -2.079 -11.564 5.342 1.00 0.00 C ATOM 109 CD PRO A 9 -3.339 -11.272 4.570 1.00 0.00 C ATOM 0 HA PRO A 9 -1.071 -9.791 2.726 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.027 -11.308 4.790 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.876 -9.809 5.115 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.862 -12.632 5.340 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.184 -11.262 6.384 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.972 -12.156 4.489 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.934 -10.497 5.054 1.00 0.00 H new ATOM 117 N SER A 10 0.336 -11.494 1.708 1.00 0.00 N ATOM 118 CA SER A 10 1.047 -12.456 0.880 1.00 0.00 C ATOM 119 C SER A 10 2.188 -13.113 1.656 1.00 0.00 C ATOM 120 O SER A 10 3.189 -13.528 1.071 1.00 0.00 O ATOM 121 CB SER A 10 1.597 -11.749 -0.358 1.00 0.00 C ATOM 122 OG SER A 10 1.981 -10.419 -0.045 1.00 0.00 O ATOM 0 H SER A 10 0.744 -10.559 1.710 1.00 0.00 H new ATOM 0 HA SER A 10 0.350 -13.239 0.579 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.454 -12.299 -0.747 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.842 -11.740 -1.144 1.00 0.00 H new ATOM 0 HG SER A 10 2.181 -9.933 -0.872 1.00 0.00 H new ATOM 128 N SER A 11 2.037 -13.198 2.971 1.00 0.00 N ATOM 129 CA SER A 11 3.050 -13.800 3.827 1.00 0.00 C ATOM 130 C SER A 11 3.253 -15.274 3.482 1.00 0.00 C ATOM 131 O SER A 11 2.371 -16.105 3.716 1.00 0.00 O ATOM 132 CB SER A 11 2.635 -13.648 5.288 1.00 0.00 C ATOM 133 OG SER A 11 1.780 -12.526 5.450 1.00 0.00 O ATOM 0 H SER A 11 1.217 -12.855 3.471 1.00 0.00 H new ATOM 0 HA SER A 11 3.998 -13.287 3.664 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.126 -14.552 5.623 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.520 -13.531 5.913 1.00 0.00 H new ATOM 0 HG SER A 11 1.522 -12.444 6.392 1.00 0.00 H new ATOM 139 N GLY A 12 4.409 -15.587 2.912 1.00 0.00 N ATOM 140 CA GLY A 12 4.707 -16.953 2.536 1.00 0.00 C ATOM 141 C GLY A 12 4.589 -17.171 1.041 1.00 0.00 C ATOM 142 O GLY A 12 4.916 -18.243 0.532 1.00 0.00 O ATOM 0 H GLY A 12 5.148 -14.915 2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.716 -17.206 2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.027 -17.628 3.055 1.00 0.00 H new ATOM 146 N LEU A 13 4.122 -16.154 0.333 1.00 0.00 N ATOM 147 CA LEU A 13 3.959 -16.240 -1.110 1.00 0.00 C ATOM 148 C LEU A 13 5.191 -15.686 -1.818 1.00 0.00 C ATOM 149 O LEU A 13 6.145 -15.258 -1.170 1.00 0.00 O ATOM 150 CB LEU A 13 2.689 -15.493 -1.544 1.00 0.00 C ATOM 151 CG LEU A 13 1.387 -16.062 -0.971 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.211 -15.153 -1.282 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.130 -17.456 -1.519 1.00 0.00 C ATOM 0 H LEU A 13 3.849 -15.258 0.735 1.00 0.00 H new ATOM 0 HA LEU A 13 3.852 -17.287 -1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.777 -14.449 -1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.629 -15.508 -2.632 1.00 0.00 H new ATOM 0 HG LEU A 13 1.495 -16.123 0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.700 -15.581 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.385 -14.170 -0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.103 -15.055 -2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.201 -17.845 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.049 -17.411 -2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.955 -18.113 -1.244 1.00 0.00 H new ATOM 165 N SER A 14 5.183 -15.724 -3.138 1.00 0.00 N ATOM 166 CA SER A 14 6.310 -15.235 -3.920 1.00 0.00 C ATOM 167 C SER A 14 5.977 -13.887 -4.561 1.00 0.00 C ATOM 168 O SER A 14 4.953 -13.276 -4.244 1.00 0.00 O ATOM 169 CB SER A 14 6.676 -16.264 -4.991 1.00 0.00 C ATOM 170 OG SER A 14 6.625 -17.586 -4.470 1.00 0.00 O ATOM 0 H SER A 14 4.409 -16.088 -3.694 1.00 0.00 H new ATOM 0 HA SER A 14 7.164 -15.091 -3.259 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.991 -16.175 -5.834 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.677 -16.058 -5.371 1.00 0.00 H new ATOM 0 HG SER A 14 6.862 -18.225 -5.175 1.00 0.00 H new ATOM 176 N ASP A 15 6.836 -13.423 -5.460 1.00 0.00 N ATOM 177 CA ASP A 15 6.617 -12.151 -6.137 1.00 0.00 C ATOM 178 C ASP A 15 5.683 -12.342 -7.324 1.00 0.00 C ATOM 179 O ASP A 15 5.690 -13.391 -7.972 1.00 0.00 O ATOM 180 CB ASP A 15 7.943 -11.538 -6.600 1.00 0.00 C ATOM 181 CG ASP A 15 8.642 -12.369 -7.661 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.255 -13.394 -7.303 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.598 -11.989 -8.851 1.00 0.00 O ATOM 0 H ASP A 15 7.690 -13.908 -5.737 1.00 0.00 H new ATOM 0 HA ASP A 15 6.155 -11.464 -5.428 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.757 -10.538 -6.993 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.604 -11.425 -5.741 1.00 0.00 H new ATOM 188 N GLY A 16 4.880 -11.326 -7.600 1.00 0.00 N ATOM 189 CA GLY A 16 3.935 -11.400 -8.694 1.00 0.00 C ATOM 190 C GLY A 16 2.551 -11.755 -8.206 1.00 0.00 C ATOM 191 O GLY A 16 1.597 -11.790 -8.979 1.00 0.00 O ATOM 0 H GLY A 16 4.866 -10.447 -7.083 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.904 -10.443 -9.215 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.270 -12.145 -9.416 1.00 0.00 H new ATOM 195 N THR A 17 2.448 -12.014 -6.916 1.00 0.00 N ATOM 196 CA THR A 17 1.181 -12.365 -6.309 1.00 0.00 C ATOM 197 C THR A 17 0.330 -11.121 -6.073 1.00 0.00 C ATOM 198 O THR A 17 0.854 -10.035 -5.806 1.00 0.00 O ATOM 199 CB THR A 17 1.396 -13.105 -4.979 1.00 0.00 C ATOM 200 OG1 THR A 17 2.562 -13.931 -5.068 1.00 0.00 O ATOM 201 CG2 THR A 17 0.192 -13.967 -4.643 1.00 0.00 C ATOM 0 H THR A 17 3.233 -11.987 -6.266 1.00 0.00 H new ATOM 0 HA THR A 17 0.657 -13.027 -6.998 1.00 0.00 H new ATOM 0 HB THR A 17 1.528 -12.364 -4.190 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.340 -13.436 -4.735 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.365 -14.482 -3.698 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.693 -13.337 -4.556 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.039 -14.702 -5.433 1.00 0.00 H new ATOM 209 N VAL A 18 -0.977 -11.283 -6.177 1.00 0.00 N ATOM 210 CA VAL A 18 -1.899 -10.179 -5.991 1.00 0.00 C ATOM 211 C VAL A 18 -2.406 -10.111 -4.550 1.00 0.00 C ATOM 212 O VAL A 18 -3.019 -11.055 -4.044 1.00 0.00 O ATOM 213 CB VAL A 18 -3.093 -10.299 -6.957 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.057 -9.144 -6.766 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.613 -10.363 -8.399 1.00 0.00 C ATOM 0 H VAL A 18 -1.425 -12.174 -6.391 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.354 -9.260 -6.207 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.621 -11.225 -6.731 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.892 -9.249 -7.458 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.431 -9.148 -5.742 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.541 -8.204 -6.960 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.472 -10.448 -9.065 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.056 -9.457 -8.638 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.966 -11.231 -8.529 1.00 0.00 H new ATOM 225 N VAL A 19 -2.131 -8.990 -3.901 1.00 0.00 N ATOM 226 CA VAL A 19 -2.556 -8.749 -2.531 1.00 0.00 C ATOM 227 C VAL A 19 -3.897 -8.030 -2.539 1.00 0.00 C ATOM 228 O VAL A 19 -4.029 -6.965 -3.142 1.00 0.00 O ATOM 229 CB VAL A 19 -1.525 -7.888 -1.766 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.000 -7.583 -0.350 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.164 -8.570 -1.746 1.00 0.00 C ATOM 0 H VAL A 19 -1.605 -8.219 -4.312 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.643 -9.712 -2.027 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.425 -6.939 -2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.253 -6.976 0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.943 -7.038 -0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.144 -8.516 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.547 -7.947 -1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.249 -9.538 -1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.186 -8.713 -2.768 1.00 0.00 H new ATOM 241 N LYS A 20 -4.888 -8.615 -1.890 1.00 0.00 N ATOM 242 CA LYS A 20 -6.215 -8.020 -1.843 1.00 0.00 C ATOM 243 C LYS A 20 -6.390 -7.169 -0.594 1.00 0.00 C ATOM 244 O LYS A 20 -6.111 -7.612 0.521 1.00 0.00 O ATOM 245 CB LYS A 20 -7.292 -9.105 -1.885 1.00 0.00 C ATOM 246 CG LYS A 20 -8.703 -8.556 -2.042 1.00 0.00 C ATOM 247 CD LYS A 20 -9.748 -9.632 -1.805 1.00 0.00 C ATOM 248 CE LYS A 20 -9.779 -10.643 -2.938 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.466 -11.894 -2.531 1.00 0.00 N ATOM 0 H LYS A 20 -4.801 -9.499 -1.389 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.322 -7.378 -2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.081 -9.783 -2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.240 -9.693 -0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.856 -7.737 -1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.825 -8.143 -3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.537 -10.144 -0.866 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.730 -9.170 -1.703 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.288 -10.211 -3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.760 -10.871 -3.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.470 -12.563 -3.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.965 -12.319 -1.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.445 -11.678 -2.255 1.00 0.00 H new ATOM 263 N VAL A 21 -6.848 -5.946 -0.793 1.00 0.00 N ATOM 264 CA VAL A 21 -7.080 -5.025 0.304 1.00 0.00 C ATOM 265 C VAL A 21 -8.557 -4.670 0.371 1.00 0.00 C ATOM 266 O VAL A 21 -9.123 -4.156 -0.596 1.00 0.00 O ATOM 267 CB VAL A 21 -6.244 -3.735 0.146 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.589 -2.716 1.227 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.758 -4.057 0.171 1.00 0.00 C ATOM 0 H VAL A 21 -7.068 -5.566 -1.713 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.773 -5.517 1.227 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.489 -3.293 -0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.984 -1.820 1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.645 -2.455 1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.385 -3.144 2.209 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.184 -3.137 0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.504 -4.529 1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.519 -4.736 -0.648 1.00 0.00 H new ATOM 279 N ALA A 22 -9.186 -4.964 1.497 1.00 0.00 N ATOM 280 CA ALA A 22 -10.598 -4.673 1.675 1.00 0.00 C ATOM 281 C ALA A 22 -10.831 -3.901 2.966 1.00 0.00 C ATOM 282 O ALA A 22 -10.558 -4.402 4.060 1.00 0.00 O ATOM 283 CB ALA A 22 -11.408 -5.958 1.673 1.00 0.00 C ATOM 0 H ALA A 22 -8.740 -5.404 2.302 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.927 -4.053 0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.464 -5.723 1.807 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.269 -6.474 0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.073 -6.601 2.487 1.00 0.00 H new ATOM 289 N GLY A 23 -11.321 -2.681 2.830 1.00 0.00 N ATOM 290 CA GLY A 23 -11.591 -1.853 3.982 1.00 0.00 C ATOM 291 C GLY A 23 -13.026 -1.381 4.006 1.00 0.00 C ATOM 292 O GLY A 23 -13.506 -0.782 3.042 1.00 0.00 O ATOM 0 H GLY A 23 -11.538 -2.247 1.933 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.377 -2.414 4.892 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.924 -0.991 3.975 1.00 0.00 H new ATOM 296 N ALA A 24 -13.718 -1.662 5.095 1.00 0.00 N ATOM 297 CA ALA A 24 -15.106 -1.268 5.239 1.00 0.00 C ATOM 298 C ALA A 24 -15.280 -0.386 6.465 1.00 0.00 C ATOM 299 O ALA A 24 -14.661 -0.624 7.507 1.00 0.00 O ATOM 300 CB ALA A 24 -15.997 -2.496 5.327 1.00 0.00 C ATOM 0 H ALA A 24 -13.338 -2.165 5.897 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.401 -0.694 4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.036 -2.185 5.435 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.889 -3.090 4.420 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.706 -3.095 6.190 1.00 0.00 H new ATOM 306 N GLY A 25 -16.116 0.631 6.338 1.00 0.00 N ATOM 307 CA GLY A 25 -16.347 1.540 7.442 1.00 0.00 C ATOM 308 C GLY A 25 -15.446 2.750 7.366 1.00 0.00 C ATOM 309 O GLY A 25 -15.079 3.328 8.391 1.00 0.00 O ATOM 0 H GLY A 25 -16.640 0.845 5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.389 1.861 7.438 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.178 1.019 8.384 1.00 0.00 H new ATOM 313 N LEU A 26 -15.105 3.137 6.146 1.00 0.00 N ATOM 314 CA LEU A 26 -14.232 4.275 5.909 1.00 0.00 C ATOM 315 C LEU A 26 -15.049 5.520 5.566 1.00 0.00 C ATOM 316 O LEU A 26 -16.215 5.636 5.950 1.00 0.00 O ATOM 317 CB LEU A 26 -13.258 3.952 4.771 1.00 0.00 C ATOM 318 CG LEU A 26 -12.468 2.652 4.935 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.761 2.297 3.639 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.459 2.778 6.068 1.00 0.00 C ATOM 0 H LEU A 26 -15.425 2.673 5.296 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.667 4.477 6.819 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.819 3.901 3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.552 4.777 4.674 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.168 1.854 5.182 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.203 1.370 3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.498 2.167 2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.074 3.099 3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.907 1.844 6.169 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.764 3.588 5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.983 2.993 6.999 1.00 0.00 H new ATOM 332 N GLN A 27 -14.440 6.444 4.834 1.00 0.00 N ATOM 333 CA GLN A 27 -15.116 7.676 4.454 1.00 0.00 C ATOM 334 C GLN A 27 -15.620 7.585 3.019 1.00 0.00 C ATOM 335 O GLN A 27 -14.831 7.517 2.076 1.00 0.00 O ATOM 336 CB GLN A 27 -14.171 8.871 4.601 1.00 0.00 C ATOM 337 CG GLN A 27 -14.878 10.218 4.568 1.00 0.00 C ATOM 338 CD GLN A 27 -15.864 10.382 5.705 1.00 0.00 C ATOM 339 OE1 GLN A 27 -15.660 9.857 6.801 1.00 0.00 O ATOM 340 NE2 GLN A 27 -16.934 11.115 5.454 1.00 0.00 N ATOM 0 H GLN A 27 -13.482 6.364 4.493 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.969 7.818 5.118 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.627 8.779 5.541 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.432 8.839 3.801 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.136 11.015 4.616 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.402 10.327 3.618 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.062 11.531 4.532 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.632 11.265 6.183 1.00 0.00 H new ATOM 349 N ALA A 28 -16.931 7.571 2.861 1.00 0.00 N ATOM 350 CA ALA A 28 -17.537 7.492 1.542 1.00 0.00 C ATOM 351 C ALA A 28 -17.183 8.725 0.714 1.00 0.00 C ATOM 352 O ALA A 28 -17.456 9.853 1.128 1.00 0.00 O ATOM 353 CB ALA A 28 -19.046 7.352 1.664 1.00 0.00 C ATOM 0 H ALA A 28 -17.599 7.613 3.631 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.144 6.612 1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.488 7.294 0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.283 6.445 2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.450 8.217 2.190 1.00 0.00 H new ATOM 359 N GLY A 29 -16.555 8.515 -0.434 1.00 0.00 N ATOM 360 CA GLY A 29 -16.192 9.631 -1.285 1.00 0.00 C ATOM 361 C GLY A 29 -14.695 9.857 -1.367 1.00 0.00 C ATOM 362 O GLY A 29 -14.209 10.415 -2.348 1.00 0.00 O ATOM 0 H GLY A 29 -16.291 7.597 -0.791 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.582 9.457 -2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.670 10.536 -0.910 1.00 0.00 H new ATOM 366 N THR A 30 -13.959 9.431 -0.351 1.00 0.00 N ATOM 367 CA THR A 30 -12.512 9.617 -0.349 1.00 0.00 C ATOM 368 C THR A 30 -11.807 8.480 -1.075 1.00 0.00 C ATOM 369 O THR A 30 -12.287 7.343 -1.075 1.00 0.00 O ATOM 370 CB THR A 30 -11.944 9.720 1.081 1.00 0.00 C ATOM 371 OG1 THR A 30 -12.425 8.647 1.896 1.00 0.00 O ATOM 372 CG2 THR A 30 -12.314 11.041 1.723 1.00 0.00 C ATOM 0 H THR A 30 -14.332 8.960 0.473 1.00 0.00 H new ATOM 0 HA THR A 30 -12.326 10.556 -0.871 1.00 0.00 H new ATOM 0 HB THR A 30 -10.858 9.657 1.005 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.403 8.614 1.849 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.900 11.085 2.730 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.910 11.860 1.129 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.399 11.130 1.773 1.00 0.00 H new ATOM 380 N ALA A 31 -10.684 8.798 -1.707 1.00 0.00 N ATOM 381 CA ALA A 31 -9.898 7.801 -2.418 1.00 0.00 C ATOM 382 C ALA A 31 -8.704 7.377 -1.576 1.00 0.00 C ATOM 383 O ALA A 31 -8.011 8.210 -0.988 1.00 0.00 O ATOM 384 CB ALA A 31 -9.439 8.332 -3.768 1.00 0.00 C ATOM 0 H ALA A 31 -10.297 9.741 -1.741 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.528 6.930 -2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.854 7.568 -4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.309 8.588 -4.373 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.825 9.221 -3.620 1.00 0.00 H new ATOM 390 N TYR A 32 -8.468 6.080 -1.526 1.00 0.00 N ATOM 391 CA TYR A 32 -7.374 5.535 -0.746 1.00 0.00 C ATOM 392 C TYR A 32 -6.317 4.942 -1.658 1.00 0.00 C ATOM 393 O TYR A 32 -6.610 4.089 -2.503 1.00 0.00 O ATOM 394 CB TYR A 32 -7.896 4.481 0.235 1.00 0.00 C ATOM 395 CG TYR A 32 -8.935 5.027 1.190 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.281 5.052 0.846 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.568 5.535 2.429 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.226 5.566 1.708 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.510 6.056 3.294 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.835 6.067 2.926 1.00 0.00 C ATOM 401 OH TYR A 32 -11.775 6.601 3.775 1.00 0.00 O ATOM 0 H TYR A 32 -9.023 5.381 -2.019 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.917 6.342 -0.174 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.326 3.651 -0.326 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.060 4.079 0.807 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.592 4.662 -0.112 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.528 5.522 2.721 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.269 5.575 1.427 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.208 6.452 4.252 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.236 7.342 3.329 1.00 0.00 H new ATOM 411 N ASP A 33 -5.093 5.414 -1.495 1.00 0.00 N ATOM 412 CA ASP A 33 -3.980 4.933 -2.292 1.00 0.00 C ATOM 413 C ASP A 33 -3.317 3.772 -1.580 1.00 0.00 C ATOM 414 O ASP A 33 -2.854 3.909 -0.446 1.00 0.00 O ATOM 415 CB ASP A 33 -2.963 6.047 -2.552 1.00 0.00 C ATOM 416 CG ASP A 33 -3.279 6.839 -3.803 1.00 0.00 C ATOM 417 OD1 ASP A 33 -2.933 6.377 -4.908 1.00 0.00 O ATOM 418 OD2 ASP A 33 -3.870 7.935 -3.692 1.00 0.00 O ATOM 0 H ASP A 33 -4.845 6.133 -0.815 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.361 4.600 -3.258 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.940 6.721 -1.695 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.968 5.612 -2.643 1.00 0.00 H new ATOM 423 N VAL A 34 -3.294 2.628 -2.240 1.00 0.00 N ATOM 424 CA VAL A 34 -2.709 1.427 -1.668 1.00 0.00 C ATOM 425 C VAL A 34 -1.636 0.844 -2.584 1.00 0.00 C ATOM 426 O VAL A 34 -1.839 0.723 -3.795 1.00 0.00 O ATOM 427 CB VAL A 34 -3.778 0.338 -1.412 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.245 -0.721 -0.458 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.067 0.945 -0.874 1.00 0.00 C ATOM 0 H VAL A 34 -3.676 2.505 -3.178 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.262 1.724 -0.719 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.006 -0.138 -2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.011 -1.478 -0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.361 -1.189 -0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.981 -0.255 0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.798 0.155 -0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.863 1.458 0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.464 1.657 -1.598 1.00 0.00 H new ATOM 439 N GLY A 35 -0.490 0.508 -2.004 1.00 0.00 N ATOM 440 CA GLY A 35 0.582 -0.090 -2.766 1.00 0.00 C ATOM 441 C GLY A 35 1.552 -0.810 -1.864 1.00 0.00 C ATOM 442 O GLY A 35 1.416 -0.758 -0.643 1.00 0.00 O ATOM 0 H GLY A 35 -0.287 0.641 -1.013 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.169 -0.789 -3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.108 0.682 -3.328 1.00 0.00 H new ATOM 446 N GLN A 36 2.512 -1.508 -2.448 1.00 0.00 N ATOM 447 CA GLN A 36 3.507 -2.205 -1.657 1.00 0.00 C ATOM 448 C GLN A 36 4.580 -1.212 -1.243 1.00 0.00 C ATOM 449 O GLN A 36 5.158 -0.524 -2.085 1.00 0.00 O ATOM 450 CB GLN A 36 4.117 -3.379 -2.429 1.00 0.00 C ATOM 451 CG GLN A 36 4.790 -2.983 -3.734 1.00 0.00 C ATOM 452 CD GLN A 36 5.731 -4.048 -4.258 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.879 -4.216 -5.461 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.379 -4.775 -3.359 1.00 0.00 N ATOM 0 H GLN A 36 2.622 -1.606 -3.457 1.00 0.00 H new ATOM 0 HA GLN A 36 3.030 -2.624 -0.771 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.848 -3.877 -1.793 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.333 -4.105 -2.643 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.026 -2.779 -4.484 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.345 -2.057 -3.585 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.231 -4.607 -2.364 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.026 -5.503 -3.662 1.00 0.00 H new ATOM 463 N CYS A 37 4.825 -1.116 0.046 1.00 0.00 N ATOM 464 CA CYS A 37 5.807 -0.180 0.559 1.00 0.00 C ATOM 465 C CYS A 37 6.780 -0.871 1.497 1.00 0.00 C ATOM 466 O CYS A 37 6.480 -1.930 2.045 1.00 0.00 O ATOM 467 CB CYS A 37 5.098 0.968 1.283 1.00 0.00 C ATOM 468 SG CYS A 37 3.372 1.225 0.748 1.00 0.00 S ATOM 0 H CYS A 37 4.358 -1.675 0.760 1.00 0.00 H new ATOM 0 HA CYS A 37 6.376 0.220 -0.281 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.110 0.771 2.355 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.659 1.888 1.121 1.00 0.00 H new ATOM 473 N ALA A 38 7.947 -0.275 1.664 1.00 0.00 N ATOM 474 CA ALA A 38 8.967 -0.818 2.538 1.00 0.00 C ATOM 475 C ALA A 38 9.862 0.299 3.050 1.00 0.00 C ATOM 476 O ALA A 38 9.650 1.468 2.716 1.00 0.00 O ATOM 477 CB ALA A 38 9.787 -1.867 1.805 1.00 0.00 C ATOM 0 H ALA A 38 8.212 0.594 1.200 1.00 0.00 H new ATOM 0 HA ALA A 38 8.484 -1.296 3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.549 -2.266 2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.134 -2.675 1.476 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.267 -1.413 0.938 1.00 0.00 H new ATOM 483 N TRP A 39 10.856 -0.061 3.848 1.00 0.00 N ATOM 484 CA TRP A 39 11.784 0.916 4.396 1.00 0.00 C ATOM 485 C TRP A 39 12.755 1.380 3.320 1.00 0.00 C ATOM 486 O TRP A 39 13.579 0.603 2.834 1.00 0.00 O ATOM 487 CB TRP A 39 12.557 0.325 5.576 1.00 0.00 C ATOM 488 CG TRP A 39 11.732 0.162 6.811 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.688 -0.702 6.994 1.00 0.00 C ATOM 490 CD2 TRP A 39 11.888 0.869 8.044 1.00 0.00 C ATOM 491 NE1 TRP A 39 10.188 -0.569 8.262 1.00 0.00 N ATOM 492 CE2 TRP A 39 10.906 0.389 8.927 1.00 0.00 C ATOM 493 CE3 TRP A 39 12.764 1.862 8.486 1.00 0.00 C ATOM 494 CZ2 TRP A 39 10.776 0.869 10.228 1.00 0.00 C ATOM 495 CZ3 TRP A 39 12.633 2.337 9.775 1.00 0.00 C ATOM 496 CH2 TRP A 39 11.646 1.841 10.633 1.00 0.00 C ATOM 0 H TRP A 39 11.041 -1.024 4.131 1.00 0.00 H new ATOM 0 HA TRP A 39 11.210 1.772 4.751 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.958 -0.646 5.287 1.00 0.00 H new ATOM 0 HB3 TRP A 39 13.408 0.968 5.800 1.00 0.00 H new ATOM 0 HD1 TRP A 39 10.313 -1.388 6.249 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.407 -1.098 8.649 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.530 2.251 7.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.015 0.487 10.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.305 3.106 10.128 1.00 0.00 H new ATOM 0 HH2 TRP A 39 11.570 2.234 11.636 1.00 0.00 H new ATOM 507 N VAL A 40 12.634 2.640 2.933 1.00 0.00 N ATOM 508 CA VAL A 40 13.499 3.202 1.911 1.00 0.00 C ATOM 509 C VAL A 40 14.626 4.005 2.560 1.00 0.00 C ATOM 510 O VAL A 40 15.683 4.209 1.964 1.00 0.00 O ATOM 511 CB VAL A 40 12.700 4.081 0.917 1.00 0.00 C ATOM 512 CG1 VAL A 40 12.176 5.340 1.591 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.541 4.438 -0.299 1.00 0.00 C ATOM 0 H VAL A 40 11.946 3.291 3.311 1.00 0.00 H new ATOM 0 HA VAL A 40 13.935 2.380 1.344 1.00 0.00 H new ATOM 0 HB VAL A 40 11.844 3.496 0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.620 5.936 0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.519 5.065 2.416 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.013 5.923 1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.954 5.055 -0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.426 4.990 0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.847 3.525 -0.810 1.00 0.00 H new ATOM 523 N ASP A 41 14.398 4.430 3.800 1.00 0.00 N ATOM 524 CA ASP A 41 15.383 5.207 4.544 1.00 0.00 C ATOM 525 C ASP A 41 15.164 5.024 6.043 1.00 0.00 C ATOM 526 O ASP A 41 14.335 4.210 6.454 1.00 0.00 O ATOM 527 CB ASP A 41 15.286 6.688 4.173 1.00 0.00 C ATOM 528 CG ASP A 41 16.643 7.361 4.102 1.00 0.00 C ATOM 529 OD1 ASP A 41 17.165 7.766 5.159 1.00 0.00 O ATOM 530 OD2 ASP A 41 17.194 7.489 2.988 1.00 0.00 O ATOM 0 H ASP A 41 13.535 4.248 4.312 1.00 0.00 H new ATOM 0 HA ASP A 41 16.380 4.851 4.284 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.785 6.785 3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.667 7.203 4.908 1.00 0.00 H new ATOM 535 N THR A 42 15.885 5.786 6.855 1.00 0.00 N ATOM 536 CA THR A 42 15.771 5.690 8.306 1.00 0.00 C ATOM 537 C THR A 42 14.431 6.233 8.804 1.00 0.00 C ATOM 538 O THR A 42 14.286 7.427 9.063 1.00 0.00 O ATOM 539 CB THR A 42 16.923 6.444 8.996 1.00 0.00 C ATOM 540 OG1 THR A 42 17.671 7.184 8.020 1.00 0.00 O ATOM 541 CG2 THR A 42 17.845 5.477 9.723 1.00 0.00 C ATOM 0 H THR A 42 16.558 6.481 6.532 1.00 0.00 H new ATOM 0 HA THR A 42 15.829 4.632 8.563 1.00 0.00 H new ATOM 0 HB THR A 42 16.496 7.130 9.728 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.402 7.664 8.463 1.00 0.00 H new ATOM 0 HG21 THR A 42 18.651 6.033 10.202 1.00 0.00 H new ATOM 0 HG22 THR A 42 17.279 4.934 10.480 1.00 0.00 H new ATOM 0 HG23 THR A 42 18.267 4.770 9.009 1.00 0.00 H new ATOM 549 N GLY A 43 13.450 5.349 8.915 1.00 0.00 N ATOM 550 CA GLY A 43 12.136 5.748 9.378 1.00 0.00 C ATOM 551 C GLY A 43 11.237 6.198 8.245 1.00 0.00 C ATOM 552 O GLY A 43 10.070 6.520 8.457 1.00 0.00 O ATOM 0 H GLY A 43 13.541 4.358 8.692 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.668 4.913 9.900 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.239 6.558 10.100 1.00 0.00 H new ATOM 556 N VAL A 44 11.776 6.209 7.036 1.00 0.00 N ATOM 557 CA VAL A 44 11.016 6.634 5.872 1.00 0.00 C ATOM 558 C VAL A 44 10.587 5.433 5.043 1.00 0.00 C ATOM 559 O VAL A 44 11.398 4.557 4.729 1.00 0.00 O ATOM 560 CB VAL A 44 11.825 7.600 4.980 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.948 8.181 3.878 1.00 0.00 C ATOM 562 CG2 VAL A 44 12.448 8.715 5.811 1.00 0.00 C ATOM 0 H VAL A 44 12.736 5.929 6.836 1.00 0.00 H new ATOM 0 HA VAL A 44 10.136 7.159 6.243 1.00 0.00 H new ATOM 0 HB VAL A 44 12.630 7.032 4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.539 8.859 3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.559 7.373 3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.117 8.728 4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.013 9.382 5.160 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.661 9.278 6.313 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.117 8.283 6.556 1.00 0.00 H new ATOM 572 N LEU A 45 9.311 5.396 4.701 1.00 0.00 N ATOM 573 CA LEU A 45 8.756 4.313 3.907 1.00 0.00 C ATOM 574 C LEU A 45 8.322 4.843 2.550 1.00 0.00 C ATOM 575 O LEU A 45 8.032 6.030 2.410 1.00 0.00 O ATOM 576 CB LEU A 45 7.560 3.690 4.632 1.00 0.00 C ATOM 577 CG LEU A 45 7.852 3.183 6.042 1.00 0.00 C ATOM 578 CD1 LEU A 45 6.788 3.672 7.013 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.935 1.665 6.050 1.00 0.00 C ATOM 0 H LEU A 45 8.633 6.112 4.964 1.00 0.00 H new ATOM 0 HA LEU A 45 9.519 3.547 3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.762 4.430 4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.184 2.860 4.034 1.00 0.00 H new ATOM 0 HG LEU A 45 8.815 3.580 6.364 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.011 3.302 8.014 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.778 4.762 7.023 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.812 3.303 6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.144 1.317 7.062 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.987 1.247 5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.734 1.341 5.383 1.00 0.00 H new ATOM 591 N ALA A 46 8.292 3.971 1.556 1.00 0.00 N ATOM 592 CA ALA A 46 7.891 4.364 0.213 1.00 0.00 C ATOM 593 C ALA A 46 7.201 3.209 -0.503 1.00 0.00 C ATOM 594 O ALA A 46 7.602 2.054 -0.352 1.00 0.00 O ATOM 595 CB ALA A 46 9.105 4.829 -0.571 1.00 0.00 C ATOM 0 H ALA A 46 8.540 2.986 1.652 1.00 0.00 H new ATOM 0 HA ALA A 46 7.181 5.188 0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.799 5.122 -1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.559 5.682 -0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.830 4.017 -0.635 1.00 0.00 H new ATOM 601 N CYS A 47 6.168 3.521 -1.279 1.00 0.00 N ATOM 602 CA CYS A 47 5.419 2.500 -2.006 1.00 0.00 C ATOM 603 C CYS A 47 5.767 2.510 -3.487 1.00 0.00 C ATOM 604 O CYS A 47 6.346 3.469 -3.992 1.00 0.00 O ATOM 605 CB CYS A 47 3.914 2.719 -1.853 1.00 0.00 C ATOM 606 SG CYS A 47 3.373 3.045 -0.152 1.00 0.00 S ATOM 0 H CYS A 47 5.830 4.473 -1.421 1.00 0.00 H new ATOM 0 HA CYS A 47 5.695 1.536 -1.580 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.615 3.557 -2.483 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.391 1.838 -2.225 1.00 0.00 H new ATOM 611 N ASN A 48 5.411 1.435 -4.174 1.00 0.00 N ATOM 612 CA ASN A 48 5.669 1.311 -5.602 1.00 0.00 C ATOM 613 C ASN A 48 4.594 2.027 -6.410 1.00 0.00 C ATOM 614 O ASN A 48 3.408 1.721 -6.289 1.00 0.00 O ATOM 615 CB ASN A 48 5.724 -0.162 -6.009 1.00 0.00 C ATOM 616 CG ASN A 48 5.810 -0.337 -7.511 1.00 0.00 C ATOM 617 OD1 ASN A 48 4.862 -0.784 -8.152 1.00 0.00 O ATOM 618 ND2 ASN A 48 6.940 0.044 -8.084 1.00 0.00 N ATOM 0 H ASN A 48 4.939 0.630 -3.762 1.00 0.00 H new ATOM 0 HA ASN A 48 6.633 1.775 -5.811 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.587 -0.635 -5.540 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.837 -0.674 -5.635 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.048 -0.028 -9.096 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.703 0.410 -7.514 1.00 0.00 H new ATOM 625 N PRO A 49 4.997 2.991 -7.250 1.00 0.00 N ATOM 626 CA PRO A 49 4.079 3.756 -8.085 1.00 0.00 C ATOM 627 C PRO A 49 3.857 3.124 -9.462 1.00 0.00 C ATOM 628 O PRO A 49 3.565 3.822 -10.433 1.00 0.00 O ATOM 629 CB PRO A 49 4.818 5.082 -8.221 1.00 0.00 C ATOM 630 CG PRO A 49 6.259 4.692 -8.270 1.00 0.00 C ATOM 631 CD PRO A 49 6.392 3.441 -7.432 1.00 0.00 C ATOM 0 HA PRO A 49 3.079 3.826 -7.656 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.518 5.615 -9.123 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.612 5.742 -7.378 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.577 4.507 -9.296 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.891 5.490 -7.879 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.994 2.684 -7.935 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.874 3.649 -6.476 1.00 0.00 H new ATOM 639 N ALA A 50 4.005 1.811 -9.549 1.00 0.00 N ATOM 640 CA ALA A 50 3.818 1.115 -10.813 1.00 0.00 C ATOM 641 C ALA A 50 2.627 0.165 -10.745 1.00 0.00 C ATOM 642 O ALA A 50 1.648 0.328 -11.475 1.00 0.00 O ATOM 643 CB ALA A 50 5.084 0.363 -11.188 1.00 0.00 C ATOM 0 H ALA A 50 4.253 1.209 -8.764 1.00 0.00 H new ATOM 0 HA ALA A 50 3.609 1.856 -11.585 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.933 -0.154 -12.135 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.910 1.067 -11.287 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.319 -0.364 -10.411 1.00 0.00 H new ATOM 649 N ASP A 51 2.706 -0.818 -9.856 1.00 0.00 N ATOM 650 CA ASP A 51 1.633 -1.796 -9.697 1.00 0.00 C ATOM 651 C ASP A 51 0.660 -1.372 -8.601 1.00 0.00 C ATOM 652 O ASP A 51 0.001 -2.209 -7.982 1.00 0.00 O ATOM 653 CB ASP A 51 2.213 -3.180 -9.384 1.00 0.00 C ATOM 654 CG ASP A 51 2.066 -4.142 -10.545 1.00 0.00 C ATOM 655 OD1 ASP A 51 0.938 -4.611 -10.803 1.00 0.00 O ATOM 656 OD2 ASP A 51 3.080 -4.437 -11.208 1.00 0.00 O ATOM 0 H ASP A 51 3.501 -0.960 -9.233 1.00 0.00 H new ATOM 0 HA ASP A 51 1.084 -1.848 -10.637 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.268 -3.080 -9.130 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.712 -3.592 -8.508 1.00 0.00 H new ATOM 661 N PHE A 52 0.577 -0.070 -8.367 1.00 0.00 N ATOM 662 CA PHE A 52 -0.328 0.470 -7.360 1.00 0.00 C ATOM 663 C PHE A 52 -1.710 0.678 -7.970 1.00 0.00 C ATOM 664 O PHE A 52 -1.859 0.700 -9.195 1.00 0.00 O ATOM 665 CB PHE A 52 0.206 1.797 -6.801 1.00 0.00 C ATOM 666 CG PHE A 52 -0.147 2.998 -7.638 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.521 3.254 -8.824 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.153 3.866 -7.241 1.00 0.00 C ATOM 669 CE1 PHE A 52 0.194 4.350 -9.598 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.486 4.963 -8.011 1.00 0.00 C ATOM 671 CZ PHE A 52 -0.811 5.205 -9.190 1.00 0.00 C ATOM 0 H PHE A 52 1.126 0.634 -8.861 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.398 -0.242 -6.538 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.187 1.940 -5.794 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.291 1.733 -6.714 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.307 2.588 -9.148 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.683 3.682 -6.318 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.723 4.538 -10.521 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.273 5.630 -7.691 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.069 6.063 -9.794 1.00 0.00 H new ATOM 681 N SER A 53 -2.717 0.831 -7.125 1.00 0.00 N ATOM 682 CA SER A 53 -4.076 1.037 -7.597 1.00 0.00 C ATOM 683 C SER A 53 -4.889 1.839 -6.586 1.00 0.00 C ATOM 684 O SER A 53 -5.232 1.340 -5.512 1.00 0.00 O ATOM 685 CB SER A 53 -4.752 -0.309 -7.874 1.00 0.00 C ATOM 686 OG SER A 53 -3.964 -1.103 -8.749 1.00 0.00 O ATOM 0 H SER A 53 -2.619 0.816 -6.110 1.00 0.00 H new ATOM 0 HA SER A 53 -4.031 1.606 -8.525 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.909 -0.841 -6.936 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.735 -0.143 -8.314 1.00 0.00 H new ATOM 0 HG SER A 53 -4.415 -1.958 -8.910 1.00 0.00 H new ATOM 692 N SER A 54 -5.167 3.089 -6.922 1.00 0.00 N ATOM 693 CA SER A 54 -5.954 3.949 -6.059 1.00 0.00 C ATOM 694 C SER A 54 -7.419 3.533 -6.125 1.00 0.00 C ATOM 695 O SER A 54 -7.975 3.359 -7.215 1.00 0.00 O ATOM 696 CB SER A 54 -5.794 5.407 -6.488 1.00 0.00 C ATOM 697 OG SER A 54 -4.468 5.661 -6.918 1.00 0.00 O ATOM 0 H SER A 54 -4.858 3.529 -7.789 1.00 0.00 H new ATOM 0 HA SER A 54 -5.603 3.850 -5.032 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.492 5.633 -7.294 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.044 6.065 -5.656 1.00 0.00 H new ATOM 0 HG SER A 54 -3.860 5.611 -6.151 1.00 0.00 H new ATOM 703 N VAL A 55 -8.035 3.345 -4.971 1.00 0.00 N ATOM 704 CA VAL A 55 -9.430 2.935 -4.922 1.00 0.00 C ATOM 705 C VAL A 55 -10.293 3.998 -4.258 1.00 0.00 C ATOM 706 O VAL A 55 -9.932 4.555 -3.221 1.00 0.00 O ATOM 707 CB VAL A 55 -9.600 1.583 -4.185 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.031 1.642 -2.775 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.064 1.160 -4.159 1.00 0.00 C ATOM 0 H VAL A 55 -7.595 3.469 -4.059 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.761 2.809 -5.953 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.036 0.833 -4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.167 0.677 -2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.968 1.878 -2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.550 2.413 -2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.158 0.208 -3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.653 1.918 -3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.429 1.051 -5.180 1.00 0.00 H new ATOM 719 N THR A 56 -11.419 4.300 -4.883 1.00 0.00 N ATOM 720 CA THR A 56 -12.343 5.276 -4.344 1.00 0.00 C ATOM 721 C THR A 56 -13.369 4.568 -3.461 1.00 0.00 C ATOM 722 O THR A 56 -13.804 3.452 -3.766 1.00 0.00 O ATOM 723 CB THR A 56 -13.052 6.074 -5.471 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.773 7.186 -4.919 1.00 0.00 O ATOM 725 CG2 THR A 56 -14.006 5.190 -6.263 1.00 0.00 C ATOM 0 H THR A 56 -11.713 3.881 -5.765 1.00 0.00 H new ATOM 0 HA THR A 56 -11.780 5.992 -3.746 1.00 0.00 H new ATOM 0 HB THR A 56 -12.281 6.441 -6.148 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.214 7.681 -5.641 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.485 5.780 -7.044 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.450 4.370 -6.718 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.767 4.786 -5.595 1.00 0.00 H new ATOM 733 N ALA A 57 -13.721 5.186 -2.347 1.00 0.00 N ATOM 734 CA ALA A 57 -14.695 4.601 -1.444 1.00 0.00 C ATOM 735 C ALA A 57 -16.098 4.800 -1.987 1.00 0.00 C ATOM 736 O ALA A 57 -16.483 5.919 -2.345 1.00 0.00 O ATOM 737 CB ALA A 57 -14.569 5.202 -0.055 1.00 0.00 C ATOM 0 H ALA A 57 -13.349 6.087 -2.048 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.499 3.531 -1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.308 4.749 0.606 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.569 5.011 0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.739 6.277 -0.107 1.00 0.00 H new ATOM 743 N ASP A 58 -16.854 3.714 -2.051 1.00 0.00 N ATOM 744 CA ASP A 58 -18.217 3.762 -2.557 1.00 0.00 C ATOM 745 C ASP A 58 -19.112 4.569 -1.623 1.00 0.00 C ATOM 746 O ASP A 58 -18.690 4.977 -0.539 1.00 0.00 O ATOM 747 CB ASP A 58 -18.784 2.348 -2.755 1.00 0.00 C ATOM 748 CG ASP A 58 -18.612 1.457 -1.541 1.00 0.00 C ATOM 749 OD1 ASP A 58 -19.145 1.794 -0.463 1.00 0.00 O ATOM 750 OD2 ASP A 58 -17.958 0.404 -1.665 1.00 0.00 O ATOM 0 H ASP A 58 -16.545 2.787 -1.758 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.195 4.257 -3.528 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.844 2.420 -2.997 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -18.293 1.884 -3.610 1.00 0.00 H new ATOM 755 N ALA A 59 -20.355 4.776 -2.041 1.00 0.00 N ATOM 756 CA ALA A 59 -21.324 5.552 -1.269 1.00 0.00 C ATOM 757 C ALA A 59 -21.632 4.918 0.089 1.00 0.00 C ATOM 758 O ALA A 59 -22.217 5.562 0.962 1.00 0.00 O ATOM 759 CB ALA A 59 -22.605 5.720 -2.070 1.00 0.00 C ATOM 0 H ALA A 59 -20.721 4.413 -2.921 1.00 0.00 H new ATOM 0 HA ALA A 59 -20.879 6.527 -1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.324 6.299 -1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.386 6.242 -3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.025 4.740 -2.294 1.00 0.00 H new ATOM 765 N ASN A 60 -21.233 3.666 0.268 1.00 0.00 N ATOM 766 CA ASN A 60 -21.479 2.955 1.517 1.00 0.00 C ATOM 767 C ASN A 60 -20.305 3.135 2.469 1.00 0.00 C ATOM 768 O ASN A 60 -20.415 2.859 3.663 1.00 0.00 O ATOM 769 CB ASN A 60 -21.714 1.464 1.254 1.00 0.00 C ATOM 770 CG ASN A 60 -22.523 1.208 -0.001 1.00 0.00 C ATOM 771 OD1 ASN A 60 -21.835 0.930 -1.095 1.00 0.00 O flip ATOM 772 ND2 ASN A 60 -23.750 1.258 0.012 1.00 0.00 N flip ATOM 0 H ASN A 60 -20.737 3.120 -0.437 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.375 3.373 1.976 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.752 0.959 1.169 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -22.230 1.026 2.109 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -24.242 1.476 0.878 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -24.277 1.081 -0.843 1.00 0.00 H new ATOM 779 N GLY A 61 -19.185 3.608 1.939 1.00 0.00 N ATOM 780 CA GLY A 61 -18.008 3.816 2.758 1.00 0.00 C ATOM 781 C GLY A 61 -17.081 2.624 2.744 1.00 0.00 C ATOM 782 O GLY A 61 -16.361 2.369 3.713 1.00 0.00 O ATOM 0 H GLY A 61 -19.071 3.852 0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.471 4.695 2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.314 4.023 3.783 1.00 0.00 H new ATOM 786 N SER A 62 -17.104 1.883 1.652 1.00 0.00 N ATOM 787 CA SER A 62 -16.258 0.712 1.508 1.00 0.00 C ATOM 788 C SER A 62 -15.258 0.913 0.371 1.00 0.00 C ATOM 789 O SER A 62 -15.532 1.642 -0.587 1.00 0.00 O ATOM 790 CB SER A 62 -17.125 -0.519 1.248 1.00 0.00 C ATOM 791 OG SER A 62 -18.481 -0.259 1.576 1.00 0.00 O ATOM 0 H SER A 62 -17.702 2.072 0.848 1.00 0.00 H new ATOM 0 HA SER A 62 -15.697 0.562 2.431 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.049 -0.808 0.200 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.758 -1.359 1.838 1.00 0.00 H new ATOM 0 HG SER A 62 -18.877 0.322 0.893 1.00 0.00 H new ATOM 797 N ALA A 63 -14.093 0.290 0.492 1.00 0.00 N ATOM 798 CA ALA A 63 -13.052 0.403 -0.520 1.00 0.00 C ATOM 799 C ALA A 63 -12.209 -0.868 -0.583 1.00 0.00 C ATOM 800 O ALA A 63 -11.597 -1.271 0.406 1.00 0.00 O ATOM 801 CB ALA A 63 -12.171 1.612 -0.234 1.00 0.00 C ATOM 0 H ALA A 63 -13.845 -0.301 1.285 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.531 0.537 -1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.396 1.686 -0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.779 2.516 -0.245 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.706 1.500 0.745 1.00 0.00 H new ATOM 807 N SER A 64 -12.190 -1.508 -1.745 1.00 0.00 N ATOM 808 CA SER A 64 -11.421 -2.726 -1.936 1.00 0.00 C ATOM 809 C SER A 64 -10.657 -2.660 -3.252 1.00 0.00 C ATOM 810 O SER A 64 -11.160 -2.130 -4.243 1.00 0.00 O ATOM 811 CB SER A 64 -12.345 -3.948 -1.911 1.00 0.00 C ATOM 812 OG SER A 64 -11.603 -5.145 -1.746 1.00 0.00 O ATOM 0 H SER A 64 -12.702 -1.200 -2.572 1.00 0.00 H new ATOM 0 HA SER A 64 -10.703 -2.822 -1.121 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.064 -3.847 -1.098 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.916 -3.995 -2.838 1.00 0.00 H new ATOM 0 HG SER A 64 -10.727 -4.936 -1.359 1.00 0.00 H new ATOM 818 N THR A 65 -9.437 -3.175 -3.250 1.00 0.00 N ATOM 819 CA THR A 65 -8.609 -3.172 -4.440 1.00 0.00 C ATOM 820 C THR A 65 -7.554 -4.279 -4.359 1.00 0.00 C ATOM 821 O THR A 65 -7.415 -4.936 -3.322 1.00 0.00 O ATOM 822 CB THR A 65 -7.937 -1.792 -4.654 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.440 -1.677 -5.997 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.802 -1.565 -3.659 1.00 0.00 C ATOM 0 H THR A 65 -9.000 -3.601 -2.433 1.00 0.00 H new ATOM 0 HA THR A 65 -9.252 -3.365 -5.298 1.00 0.00 H new ATOM 0 HB THR A 65 -8.695 -1.027 -4.487 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.020 -0.800 -6.116 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.352 -0.588 -3.837 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.195 -1.604 -2.643 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.047 -2.341 -3.786 1.00 0.00 H new ATOM 832 N SER A 66 -6.828 -4.487 -5.449 1.00 0.00 N ATOM 833 CA SER A 66 -5.801 -5.517 -5.506 1.00 0.00 C ATOM 834 C SER A 66 -4.468 -4.942 -5.991 1.00 0.00 C ATOM 835 O SER A 66 -4.427 -4.194 -6.972 1.00 0.00 O ATOM 836 CB SER A 66 -6.264 -6.643 -6.429 1.00 0.00 C ATOM 837 OG SER A 66 -7.557 -7.097 -6.063 1.00 0.00 O ATOM 0 H SER A 66 -6.933 -3.952 -6.311 1.00 0.00 H new ATOM 0 HA SER A 66 -5.644 -5.911 -4.502 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.276 -6.291 -7.461 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.557 -7.471 -6.383 1.00 0.00 H new ATOM 0 HG SER A 66 -7.834 -7.816 -6.668 1.00 0.00 H new ATOM 843 N LEU A 67 -3.387 -5.290 -5.294 1.00 0.00 N ATOM 844 CA LEU A 67 -2.050 -4.807 -5.638 1.00 0.00 C ATOM 845 C LEU A 67 -1.109 -5.978 -5.884 1.00 0.00 C ATOM 846 O LEU A 67 -1.130 -6.956 -5.148 1.00 0.00 O ATOM 847 CB LEU A 67 -1.466 -3.942 -4.506 1.00 0.00 C ATOM 848 CG LEU A 67 -2.221 -2.652 -4.170 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.656 -1.932 -5.430 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.409 -2.938 -3.265 1.00 0.00 C ATOM 0 H LEU A 67 -3.412 -5.908 -4.483 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.143 -4.206 -6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.414 -4.551 -3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.442 -3.678 -4.772 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.539 -1.995 -3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.190 -1.020 -5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.779 -1.678 -6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.313 -2.579 -6.011 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.928 -2.006 -3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.092 -3.623 -3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.059 -3.390 -2.337 1.00 0.00 H new ATOM 862 N THR A 68 -0.290 -5.885 -6.912 1.00 0.00 N ATOM 863 CA THR A 68 0.658 -6.942 -7.218 1.00 0.00 C ATOM 864 C THR A 68 1.982 -6.679 -6.506 1.00 0.00 C ATOM 865 O THR A 68 2.633 -5.661 -6.743 1.00 0.00 O ATOM 866 CB THR A 68 0.881 -7.061 -8.735 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.232 -6.480 -9.431 1.00 0.00 O ATOM 868 CG2 THR A 68 1.042 -8.518 -9.147 1.00 0.00 C ATOM 0 H THR A 68 -0.260 -5.090 -7.550 1.00 0.00 H new ATOM 0 HA THR A 68 0.245 -7.886 -6.863 1.00 0.00 H new ATOM 0 HB THR A 68 1.796 -6.528 -8.994 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.098 -5.905 -10.153 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.198 -8.576 -10.224 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.900 -8.949 -8.632 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.143 -9.073 -8.880 1.00 0.00 H new ATOM 876 N VAL A 69 2.372 -7.594 -5.626 1.00 0.00 N ATOM 877 CA VAL A 69 3.605 -7.441 -4.862 1.00 0.00 C ATOM 878 C VAL A 69 4.822 -7.903 -5.662 1.00 0.00 C ATOM 879 O VAL A 69 4.834 -8.993 -6.233 1.00 0.00 O ATOM 880 CB VAL A 69 3.533 -8.200 -3.508 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.360 -9.698 -3.711 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.764 -7.905 -2.657 1.00 0.00 C ATOM 0 H VAL A 69 1.853 -8.449 -5.424 1.00 0.00 H new ATOM 0 HA VAL A 69 3.718 -6.377 -4.653 1.00 0.00 H new ATOM 0 HB VAL A 69 2.652 -7.840 -2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.314 -10.194 -2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.437 -9.887 -4.259 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.205 -10.088 -4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.693 -8.447 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.660 -8.222 -3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.821 -6.835 -2.458 1.00 0.00 H new ATOM 892 N ARG A 70 5.832 -7.048 -5.726 1.00 0.00 N ATOM 893 CA ARG A 70 7.062 -7.358 -6.439 1.00 0.00 C ATOM 894 C ARG A 70 8.210 -7.560 -5.449 1.00 0.00 C ATOM 895 O ARG A 70 8.113 -7.155 -4.288 1.00 0.00 O ATOM 896 CB ARG A 70 7.410 -6.223 -7.409 1.00 0.00 C ATOM 897 CG ARG A 70 6.278 -5.844 -8.349 1.00 0.00 C ATOM 898 CD ARG A 70 5.927 -6.986 -9.283 1.00 0.00 C ATOM 899 NE ARG A 70 4.800 -6.651 -10.144 1.00 0.00 N ATOM 900 CZ ARG A 70 4.155 -7.529 -10.906 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.543 -8.797 -10.946 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.124 -7.131 -11.633 1.00 0.00 N ATOM 0 H ARG A 70 5.823 -6.127 -5.289 1.00 0.00 H new ATOM 0 HA ARG A 70 6.914 -8.278 -7.004 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.701 -5.344 -6.834 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.277 -6.518 -8.001 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.399 -5.564 -7.768 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.566 -4.970 -8.933 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.793 -7.233 -9.897 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.687 -7.874 -8.698 1.00 0.00 H new ATOM 0 HE ARG A 70 4.486 -5.681 -10.163 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.341 -9.104 -10.390 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.043 -9.465 -11.533 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.828 -6.155 -11.607 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.625 -7.800 -12.220 1.00 0.00 H new ATOM 916 N ARG A 71 9.290 -8.182 -5.911 1.00 0.00 N ATOM 917 CA ARG A 71 10.454 -8.433 -5.067 1.00 0.00 C ATOM 918 C ARG A 71 11.264 -7.149 -4.925 1.00 0.00 C ATOM 919 O ARG A 71 11.835 -6.863 -3.871 1.00 0.00 O ATOM 920 CB ARG A 71 11.319 -9.540 -5.680 1.00 0.00 C ATOM 921 CG ARG A 71 12.281 -10.190 -4.700 1.00 0.00 C ATOM 922 CD ARG A 71 11.601 -11.286 -3.890 1.00 0.00 C ATOM 923 NE ARG A 71 11.061 -12.353 -4.743 1.00 0.00 N ATOM 924 CZ ARG A 71 10.820 -13.597 -4.325 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.098 -13.954 -3.079 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.296 -14.487 -5.157 1.00 0.00 N ATOM 0 H ARG A 71 9.384 -8.523 -6.868 1.00 0.00 H new ATOM 0 HA ARG A 71 10.122 -8.758 -4.081 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.667 -10.308 -6.096 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.889 -9.123 -6.510 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.127 -10.610 -5.244 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.681 -9.433 -4.025 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.316 -11.712 -3.187 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.794 -10.852 -3.300 1.00 0.00 H new ATOM 0 HE ARG A 71 10.857 -12.129 -5.717 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.499 -13.276 -2.432 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.911 -14.907 -2.768 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.077 -14.221 -6.117 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.112 -15.438 -4.837 1.00 0.00 H new ATOM 940 N SER A 72 11.306 -6.386 -6.004 1.00 0.00 N ATOM 941 CA SER A 72 12.018 -5.119 -6.041 1.00 0.00 C ATOM 942 C SER A 72 11.122 -4.069 -6.687 1.00 0.00 C ATOM 943 O SER A 72 10.338 -4.399 -7.581 1.00 0.00 O ATOM 944 CB SER A 72 13.316 -5.271 -6.831 1.00 0.00 C ATOM 945 OG SER A 72 13.944 -6.512 -6.541 1.00 0.00 O ATOM 0 H SER A 72 10.846 -6.628 -6.882 1.00 0.00 H new ATOM 0 HA SER A 72 12.270 -4.807 -5.028 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.106 -5.206 -7.899 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.992 -4.451 -6.588 1.00 0.00 H new ATOM 0 HG SER A 72 14.756 -6.353 -6.017 1.00 0.00 H new ATOM 951 N PHE A 73 11.225 -2.816 -6.251 1.00 0.00 N ATOM 952 CA PHE A 73 10.379 -1.762 -6.794 1.00 0.00 C ATOM 953 C PHE A 73 10.924 -0.376 -6.470 1.00 0.00 C ATOM 954 O PHE A 73 11.843 -0.225 -5.670 1.00 0.00 O ATOM 955 CB PHE A 73 8.957 -1.900 -6.235 1.00 0.00 C ATOM 956 CG PHE A 73 8.886 -1.835 -4.731 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.143 -2.957 -3.961 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.567 -0.649 -4.089 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.085 -2.897 -2.583 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.506 -0.585 -2.710 1.00 0.00 C ATOM 961 CZ PHE A 73 8.766 -1.709 -1.956 1.00 0.00 C ATOM 0 H PHE A 73 11.879 -2.510 -5.531 1.00 0.00 H new ATOM 0 HA PHE A 73 10.366 -1.871 -7.878 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.334 -1.110 -6.653 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.536 -2.848 -6.569 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.392 -3.890 -4.444 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.364 0.236 -4.674 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.289 -3.780 -1.995 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.255 0.346 -2.223 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.720 -1.661 -0.878 1.00 0.00 H new ATOM 971 N GLU A 74 10.355 0.628 -7.110 1.00 0.00 N ATOM 972 CA GLU A 74 10.746 2.009 -6.887 1.00 0.00 C ATOM 973 C GLU A 74 9.990 2.565 -5.687 1.00 0.00 C ATOM 974 O GLU A 74 8.831 2.211 -5.468 1.00 0.00 O ATOM 975 CB GLU A 74 10.456 2.864 -8.127 1.00 0.00 C ATOM 976 CG GLU A 74 10.810 2.186 -9.441 1.00 0.00 C ATOM 977 CD GLU A 74 9.679 1.334 -9.976 1.00 0.00 C ATOM 978 OE1 GLU A 74 8.797 1.881 -10.669 1.00 0.00 O ATOM 979 OE2 GLU A 74 9.664 0.116 -9.699 1.00 0.00 O ATOM 0 H GLU A 74 9.611 0.511 -7.797 1.00 0.00 H new ATOM 0 HA GLU A 74 11.818 2.041 -6.691 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.397 3.124 -8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.013 3.798 -8.050 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.070 2.945 -10.179 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.694 1.564 -9.299 1.00 0.00 H new ATOM 986 N GLY A 75 10.635 3.435 -4.927 1.00 0.00 N ATOM 987 CA GLY A 75 10.007 4.014 -3.758 1.00 0.00 C ATOM 988 C GLY A 75 9.416 5.374 -4.042 1.00 0.00 C ATOM 989 O GLY A 75 10.125 6.290 -4.470 1.00 0.00 O ATOM 0 H GLY A 75 11.589 3.753 -5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.223 3.346 -3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.742 4.099 -2.958 1.00 0.00 H new ATOM 993 N PHE A 76 8.125 5.512 -3.794 1.00 0.00 N ATOM 994 CA PHE A 76 7.433 6.759 -4.045 1.00 0.00 C ATOM 995 C PHE A 76 6.694 7.208 -2.799 1.00 0.00 C ATOM 996 O PHE A 76 6.176 6.383 -2.040 1.00 0.00 O ATOM 997 CB PHE A 76 6.438 6.578 -5.190 1.00 0.00 C ATOM 998 CG PHE A 76 6.445 7.686 -6.202 1.00 0.00 C ATOM 999 CD1 PHE A 76 7.562 7.924 -6.985 1.00 0.00 C ATOM 1000 CD2 PHE A 76 5.325 8.482 -6.376 1.00 0.00 C ATOM 1001 CE1 PHE A 76 7.562 8.939 -7.922 1.00 0.00 C ATOM 1002 CE2 PHE A 76 5.319 9.497 -7.314 1.00 0.00 C ATOM 1003 CZ PHE A 76 6.439 9.727 -8.088 1.00 0.00 C ATOM 0 H PHE A 76 7.535 4.770 -3.417 1.00 0.00 H new ATOM 0 HA PHE A 76 8.166 7.518 -4.317 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.655 5.638 -5.698 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.435 6.491 -4.772 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.442 7.310 -6.862 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.447 8.308 -5.772 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.440 9.117 -8.525 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.439 10.110 -7.441 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.437 10.520 -8.821 1.00 0.00 H new ATOM 1013 N LEU A 77 6.658 8.509 -2.590 1.00 0.00 N ATOM 1014 CA LEU A 77 5.968 9.081 -1.450 1.00 0.00 C ATOM 1015 C LEU A 77 4.552 9.474 -1.868 1.00 0.00 C ATOM 1016 O LEU A 77 4.292 9.669 -3.058 1.00 0.00 O ATOM 1017 CB LEU A 77 6.742 10.290 -0.919 1.00 0.00 C ATOM 1018 CG LEU A 77 8.256 10.073 -0.793 1.00 0.00 C ATOM 1019 CD1 LEU A 77 8.963 11.376 -0.461 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.567 9.014 0.261 1.00 0.00 C ATOM 0 H LEU A 77 7.102 9.195 -3.200 1.00 0.00 H new ATOM 0 HA LEU A 77 5.906 8.346 -0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.563 11.138 -1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.344 10.559 0.059 1.00 0.00 H new ATOM 0 HG LEU A 77 8.625 9.718 -1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.035 11.197 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.777 12.102 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.585 11.765 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.646 8.878 0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.177 9.336 1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.100 8.071 -0.022 1.00 0.00 H new ATOM 1032 N PHE A 78 3.646 9.600 -0.908 1.00 0.00 N ATOM 1033 CA PHE A 78 2.253 9.939 -1.210 1.00 0.00 C ATOM 1034 C PHE A 78 2.109 11.369 -1.730 1.00 0.00 C ATOM 1035 O PHE A 78 1.100 11.713 -2.346 1.00 0.00 O ATOM 1036 CB PHE A 78 1.373 9.743 0.028 1.00 0.00 C ATOM 1037 CG PHE A 78 1.160 8.304 0.402 1.00 0.00 C ATOM 1038 CD1 PHE A 78 0.833 7.360 -0.559 1.00 0.00 C ATOM 1039 CD2 PHE A 78 1.281 7.896 1.719 1.00 0.00 C ATOM 1040 CE1 PHE A 78 0.632 6.039 -0.213 1.00 0.00 C ATOM 1041 CE2 PHE A 78 1.080 6.575 2.071 1.00 0.00 C ATOM 1042 CZ PHE A 78 0.756 5.645 1.105 1.00 0.00 C ATOM 0 H PHE A 78 3.845 9.474 0.084 1.00 0.00 H new ATOM 0 HA PHE A 78 1.923 9.264 -2.000 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.828 10.264 0.871 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.404 10.209 -0.150 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.734 7.662 -1.591 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.535 8.618 2.480 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.378 5.314 -0.972 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.177 6.271 3.103 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.600 4.612 1.378 1.00 0.00 H new ATOM 1052 N ASP A 79 3.114 12.199 -1.486 1.00 0.00 N ATOM 1053 CA ASP A 79 3.086 13.589 -1.943 1.00 0.00 C ATOM 1054 C ASP A 79 3.403 13.674 -3.435 1.00 0.00 C ATOM 1055 O ASP A 79 3.097 14.672 -4.091 1.00 0.00 O ATOM 1056 CB ASP A 79 4.083 14.444 -1.155 1.00 0.00 C ATOM 1057 CG ASP A 79 5.456 14.459 -1.792 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.143 13.420 -1.748 1.00 0.00 O ATOM 1059 OD2 ASP A 79 5.851 15.505 -2.347 1.00 0.00 O ATOM 0 H ASP A 79 3.958 11.939 -0.976 1.00 0.00 H new ATOM 0 HA ASP A 79 2.081 13.974 -1.771 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.707 15.464 -1.084 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.161 14.062 -0.137 1.00 0.00 H new ATOM 1064 N GLY A 80 4.018 12.625 -3.969 1.00 0.00 N ATOM 1065 CA GLY A 80 4.358 12.604 -5.378 1.00 0.00 C ATOM 1066 C GLY A 80 5.854 12.662 -5.629 1.00 0.00 C ATOM 1067 O GLY A 80 6.298 12.624 -6.780 1.00 0.00 O ATOM 0 H GLY A 80 4.287 11.789 -3.451 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.954 11.698 -5.830 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.879 13.448 -5.874 1.00 0.00 H new ATOM 1071 N THR A 81 6.636 12.761 -4.567 1.00 0.00 N ATOM 1072 CA THR A 81 8.083 12.818 -4.697 1.00 0.00 C ATOM 1073 C THR A 81 8.696 11.419 -4.574 1.00 0.00 C ATOM 1074 O THR A 81 8.173 10.560 -3.867 1.00 0.00 O ATOM 1075 CB THR A 81 8.691 13.766 -3.641 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.060 15.050 -3.731 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.192 13.933 -3.838 1.00 0.00 C ATOM 0 H THR A 81 6.294 12.804 -3.607 1.00 0.00 H new ATOM 0 HA THR A 81 8.316 13.210 -5.687 1.00 0.00 H new ATOM 0 HB THR A 81 8.521 13.327 -2.658 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.522 15.207 -2.927 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.586 14.607 -3.077 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.681 12.962 -3.752 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.385 14.350 -4.827 1.00 0.00 H new ATOM 1085 N ARG A 82 9.784 11.188 -5.296 1.00 0.00 N ATOM 1086 CA ARG A 82 10.465 9.902 -5.257 1.00 0.00 C ATOM 1087 C ARG A 82 11.639 9.950 -4.286 1.00 0.00 C ATOM 1088 O ARG A 82 12.240 11.005 -4.081 1.00 0.00 O ATOM 1089 CB ARG A 82 10.956 9.509 -6.653 1.00 0.00 C ATOM 1090 CG ARG A 82 11.957 10.486 -7.256 1.00 0.00 C ATOM 1091 CD ARG A 82 12.280 10.137 -8.700 1.00 0.00 C ATOM 1092 NE ARG A 82 13.216 11.096 -9.294 1.00 0.00 N ATOM 1093 CZ ARG A 82 13.674 11.021 -10.542 1.00 0.00 C ATOM 1094 NH1 ARG A 82 13.269 10.045 -11.347 1.00 0.00 N ATOM 1095 NH2 ARG A 82 14.532 11.930 -10.993 1.00 0.00 N ATOM 0 H ARG A 82 10.214 11.875 -5.916 1.00 0.00 H new ATOM 0 HA ARG A 82 9.754 9.151 -4.913 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.414 8.521 -6.601 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.097 9.427 -7.319 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.554 11.497 -7.207 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.873 10.479 -6.666 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.708 9.135 -8.745 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.360 10.117 -9.284 1.00 0.00 H new ATOM 0 HE ARG A 82 13.537 11.871 -8.714 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.604 9.349 -11.010 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.623 9.992 -12.302 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.841 12.687 -10.383 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.882 11.871 -11.949 1.00 0.00 H new ATOM 1109 N TRP A 83 11.961 8.811 -3.693 1.00 0.00 N ATOM 1110 CA TRP A 83 13.069 8.735 -2.750 1.00 0.00 C ATOM 1111 C TRP A 83 14.199 7.886 -3.327 1.00 0.00 C ATOM 1112 O TRP A 83 15.373 8.098 -3.024 1.00 0.00 O ATOM 1113 CB TRP A 83 12.589 8.152 -1.420 1.00 0.00 C ATOM 1114 CG TRP A 83 13.517 8.426 -0.274 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.671 7.758 0.022 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.368 9.434 0.733 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.247 8.287 1.148 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.468 9.315 1.604 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.416 10.423 0.987 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.639 10.145 2.707 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 12.590 11.249 2.081 1.00 0.00 C ATOM 1122 CH2 TRP A 83 13.693 11.106 2.929 1.00 0.00 C ATOM 0 H TRP A 83 11.473 7.928 -3.846 1.00 0.00 H new ATOM 0 HA TRP A 83 13.449 9.741 -2.573 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.606 8.562 -1.187 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.467 7.074 -1.528 1.00 0.00 H new ATOM 0 HD1 TRP A 83 15.072 6.933 -0.548 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.115 7.966 1.576 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.559 10.540 0.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.489 10.034 3.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 11.861 12.019 2.285 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.799 11.768 3.776 1.00 0.00 H new ATOM 1133 N GLY A 84 13.833 6.930 -4.167 1.00 0.00 N ATOM 1134 CA GLY A 84 14.813 6.058 -4.776 1.00 0.00 C ATOM 1135 C GLY A 84 14.234 4.691 -5.062 1.00 0.00 C ATOM 1136 O GLY A 84 13.034 4.567 -5.303 1.00 0.00 O ATOM 0 H GLY A 84 12.868 6.742 -4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.172 6.504 -5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.674 5.959 -4.115 1.00 0.00 H new ATOM 1140 N THR A 85 15.071 3.668 -5.046 1.00 0.00 N ATOM 1141 CA THR A 85 14.610 2.313 -5.300 1.00 0.00 C ATOM 1142 C THR A 85 14.638 1.491 -4.010 1.00 0.00 C ATOM 1143 O THR A 85 15.456 1.748 -3.121 1.00 0.00 O ATOM 1144 CB THR A 85 15.468 1.617 -6.378 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.341 2.567 -7.003 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.588 0.967 -7.436 1.00 0.00 C ATOM 0 H THR A 85 16.071 3.749 -4.860 1.00 0.00 H new ATOM 0 HA THR A 85 13.586 2.377 -5.667 1.00 0.00 H new ATOM 0 HB THR A 85 16.060 0.843 -5.890 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.882 2.115 -7.684 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.216 0.483 -8.184 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.944 0.223 -6.967 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.973 1.728 -7.916 1.00 0.00 H new ATOM 1154 N VAL A 86 13.726 0.531 -3.895 1.00 0.00 N ATOM 1155 CA VAL A 86 13.649 -0.325 -2.718 1.00 0.00 C ATOM 1156 C VAL A 86 13.678 -1.792 -3.138 1.00 0.00 C ATOM 1157 O VAL A 86 13.269 -2.136 -4.248 1.00 0.00 O ATOM 1158 CB VAL A 86 12.362 -0.067 -1.893 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.602 -0.366 -0.424 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.855 1.359 -2.072 1.00 0.00 C ATOM 0 H VAL A 86 13.026 0.326 -4.608 1.00 0.00 H new ATOM 0 HA VAL A 86 14.510 -0.089 -2.093 1.00 0.00 H new ATOM 0 HB VAL A 86 11.591 -0.740 -2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.688 -0.179 0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.893 -1.410 -0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.398 0.276 -0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.952 1.501 -1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.620 2.061 -1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.629 1.536 -3.124 1.00 0.00 H new ATOM 1170 N ASP A 87 14.165 -2.652 -2.261 1.00 0.00 N ATOM 1171 CA ASP A 87 14.241 -4.074 -2.558 1.00 0.00 C ATOM 1172 C ASP A 87 13.824 -4.899 -1.347 1.00 0.00 C ATOM 1173 O ASP A 87 14.260 -4.634 -0.229 1.00 0.00 O ATOM 1174 CB ASP A 87 15.661 -4.438 -2.985 1.00 0.00 C ATOM 1175 CG ASP A 87 15.798 -5.896 -3.349 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.503 -6.248 -4.506 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.204 -6.697 -2.485 1.00 0.00 O ATOM 0 H ASP A 87 14.514 -2.392 -1.338 1.00 0.00 H new ATOM 0 HA ASP A 87 13.555 -4.298 -3.375 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.949 -3.825 -3.839 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.352 -4.202 -2.176 1.00 0.00 H new ATOM 1182 N CYS A 88 12.994 -5.908 -1.570 1.00 0.00 N ATOM 1183 CA CYS A 88 12.524 -6.753 -0.485 1.00 0.00 C ATOM 1184 C CYS A 88 12.920 -8.209 -0.711 1.00 0.00 C ATOM 1185 O CYS A 88 12.207 -9.126 -0.298 1.00 0.00 O ATOM 1186 CB CYS A 88 11.008 -6.634 -0.331 1.00 0.00 C ATOM 1187 SG CYS A 88 10.477 -5.163 0.605 1.00 0.00 S ATOM 0 H CYS A 88 12.634 -6.160 -2.490 1.00 0.00 H new ATOM 0 HA CYS A 88 12.998 -6.411 0.435 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.553 -6.607 -1.321 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.632 -7.527 0.169 1.00 0.00 H new ATOM 1192 N THR A 89 14.057 -8.423 -1.368 1.00 0.00 N ATOM 1193 CA THR A 89 14.535 -9.773 -1.616 1.00 0.00 C ATOM 1194 C THR A 89 14.903 -10.441 -0.292 1.00 0.00 C ATOM 1195 O THR A 89 14.656 -11.625 -0.090 1.00 0.00 O ATOM 1196 CB THR A 89 15.740 -9.783 -2.575 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.458 -8.953 -3.709 1.00 0.00 O ATOM 1198 CG2 THR A 89 16.050 -11.196 -3.048 1.00 0.00 C ATOM 0 H THR A 89 14.657 -7.684 -1.734 1.00 0.00 H new ATOM 0 HA THR A 89 13.732 -10.334 -2.095 1.00 0.00 H new ATOM 0 HB THR A 89 16.608 -9.399 -2.039 1.00 0.00 H new ATOM 0 HG1 THR A 89 16.226 -8.959 -4.318 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.905 -11.174 -3.724 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.283 -11.825 -2.188 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.184 -11.603 -3.571 1.00 0.00 H new ATOM 1206 N THR A 90 15.478 -9.665 0.615 1.00 0.00 N ATOM 1207 CA THR A 90 15.839 -10.174 1.928 1.00 0.00 C ATOM 1208 C THR A 90 15.150 -9.348 3.012 1.00 0.00 C ATOM 1209 O THR A 90 15.017 -9.785 4.156 1.00 0.00 O ATOM 1210 CB THR A 90 17.368 -10.177 2.151 1.00 0.00 C ATOM 1211 OG1 THR A 90 17.704 -11.062 3.225 1.00 0.00 O ATOM 1212 CG2 THR A 90 17.885 -8.781 2.465 1.00 0.00 C ATOM 0 H THR A 90 15.704 -8.682 0.465 1.00 0.00 H new ATOM 0 HA THR A 90 15.501 -11.209 1.985 1.00 0.00 H new ATOM 0 HB THR A 90 17.839 -10.519 1.229 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.675 -11.060 3.359 1.00 0.00 H new ATOM 0 HG21 THR A 90 18.964 -8.818 2.616 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.658 -8.113 1.634 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.404 -8.410 3.370 1.00 0.00 H new ATOM 1220 N ALA A 91 14.709 -8.155 2.639 1.00 0.00 N ATOM 1221 CA ALA A 91 14.028 -7.267 3.565 1.00 0.00 C ATOM 1222 C ALA A 91 12.537 -7.581 3.609 1.00 0.00 C ATOM 1223 O ALA A 91 12.043 -8.397 2.831 1.00 0.00 O ATOM 1224 CB ALA A 91 14.257 -5.816 3.169 1.00 0.00 C ATOM 0 H ALA A 91 14.812 -7.780 1.696 1.00 0.00 H new ATOM 0 HA ALA A 91 14.440 -7.423 4.562 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.741 -5.161 3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.325 -5.598 3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.869 -5.648 2.164 1.00 0.00 H new ATOM 1230 N ALA A 92 11.825 -6.927 4.515 1.00 0.00 N ATOM 1231 CA ALA A 92 10.396 -7.144 4.659 1.00 0.00 C ATOM 1232 C ALA A 92 9.607 -6.001 4.039 1.00 0.00 C ATOM 1233 O ALA A 92 9.926 -4.830 4.244 1.00 0.00 O ATOM 1234 CB ALA A 92 10.029 -7.310 6.127 1.00 0.00 C ATOM 0 H ALA A 92 12.215 -6.241 5.161 1.00 0.00 H new ATOM 0 HA ALA A 92 10.137 -8.061 4.129 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.955 -7.472 6.217 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.561 -8.167 6.540 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.308 -6.410 6.676 1.00 0.00 H new ATOM 1240 N CYS A 93 8.597 -6.356 3.266 1.00 0.00 N ATOM 1241 CA CYS A 93 7.745 -5.378 2.612 1.00 0.00 C ATOM 1242 C CYS A 93 6.402 -5.334 3.324 1.00 0.00 C ATOM 1243 O CYS A 93 6.034 -6.288 4.005 1.00 0.00 O ATOM 1244 CB CYS A 93 7.534 -5.752 1.145 1.00 0.00 C ATOM 1245 SG CYS A 93 8.580 -4.839 -0.035 1.00 0.00 S ATOM 0 H CYS A 93 8.344 -7.325 3.074 1.00 0.00 H new ATOM 0 HA CYS A 93 8.223 -4.400 2.657 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.723 -6.819 1.026 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.488 -5.583 0.888 1.00 0.00 H new ATOM 1250 N GLN A 94 5.677 -4.239 3.186 1.00 0.00 N ATOM 1251 CA GLN A 94 4.379 -4.114 3.824 1.00 0.00 C ATOM 1252 C GLN A 94 3.380 -3.432 2.901 1.00 0.00 C ATOM 1253 O GLN A 94 3.754 -2.704 1.982 1.00 0.00 O ATOM 1254 CB GLN A 94 4.478 -3.346 5.151 1.00 0.00 C ATOM 1255 CG GLN A 94 5.452 -2.179 5.147 1.00 0.00 C ATOM 1256 CD GLN A 94 6.759 -2.512 5.844 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.284 -3.615 5.711 1.00 0.00 O ATOM 1258 NE2 GLN A 94 7.273 -1.577 6.623 1.00 0.00 N ATOM 0 H GLN A 94 5.963 -3.426 2.640 1.00 0.00 H new ATOM 0 HA GLN A 94 4.026 -5.123 4.037 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.488 -2.972 5.412 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.773 -4.043 5.936 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.657 -1.884 4.118 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.990 -1.322 5.638 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.809 -0.673 6.709 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.134 -1.759 7.139 1.00 0.00 H new ATOM 1267 N VAL A 95 2.105 -3.694 3.136 1.00 0.00 N ATOM 1268 CA VAL A 95 1.044 -3.101 2.343 1.00 0.00 C ATOM 1269 C VAL A 95 0.697 -1.733 2.907 1.00 0.00 C ATOM 1270 O VAL A 95 0.216 -1.623 4.038 1.00 0.00 O ATOM 1271 CB VAL A 95 -0.220 -3.988 2.323 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -1.219 -3.466 1.299 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.144 -5.441 2.039 1.00 0.00 C ATOM 0 H VAL A 95 1.779 -4.318 3.875 1.00 0.00 H new ATOM 0 HA VAL A 95 1.402 -3.007 1.318 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.687 -3.946 3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.104 -4.102 1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.505 -2.446 1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.764 -3.475 0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.761 -6.048 2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.637 -5.510 1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.817 -5.806 2.815 1.00 0.00 H new ATOM 1283 N GLY A 96 0.956 -0.697 2.127 1.00 0.00 N ATOM 1284 CA GLY A 96 0.683 0.645 2.576 1.00 0.00 C ATOM 1285 C GLY A 96 -0.565 1.220 1.963 1.00 0.00 C ATOM 1286 O GLY A 96 -0.671 1.345 0.744 1.00 0.00 O ATOM 0 H GLY A 96 1.351 -0.764 1.189 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.584 0.647 3.661 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.531 1.285 2.332 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.514 1.561 2.813 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.764 2.139 2.369 1.00 0.00 C ATOM 1292 C LEU A 97 -3.072 3.379 3.192 1.00 0.00 C ATOM 1293 O LEU A 97 -3.004 3.352 4.423 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.913 1.123 2.468 1.00 0.00 C ATOM 1295 CG LEU A 97 -4.247 0.610 3.875 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -5.712 0.214 3.955 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -3.362 -0.573 4.251 1.00 0.00 C ATOM 0 H LEU A 97 -1.440 1.446 3.824 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.665 2.420 1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.810 1.579 2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.667 0.266 1.841 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.057 1.416 4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.937 -0.148 4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.336 1.080 3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.916 -0.574 3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.620 -0.917 5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.516 -1.383 3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.316 -0.266 4.231 1.00 0.00 H new ATOM 1309 N SER A 98 -3.367 4.476 2.516 1.00 0.00 N ATOM 1310 CA SER A 98 -3.675 5.728 3.192 1.00 0.00 C ATOM 1311 C SER A 98 -4.690 6.542 2.397 1.00 0.00 C ATOM 1312 O SER A 98 -4.839 6.363 1.185 1.00 0.00 O ATOM 1313 CB SER A 98 -2.394 6.537 3.407 1.00 0.00 C ATOM 1314 OG SER A 98 -1.433 5.781 4.125 1.00 0.00 O ATOM 0 H SER A 98 -3.400 4.527 1.498 1.00 0.00 H new ATOM 0 HA SER A 98 -4.115 5.496 4.162 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.982 6.836 2.443 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.624 7.452 3.953 1.00 0.00 H new ATOM 0 HG SER A 98 -0.557 5.874 3.696 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.399 7.419 3.096 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.400 8.277 2.477 1.00 0.00 C ATOM 1322 C ASP A 99 -5.731 9.474 1.808 1.00 0.00 C ATOM 1323 O ASP A 99 -4.509 9.504 1.653 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.411 8.752 3.529 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.918 9.941 4.331 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.884 9.816 5.012 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.557 11.010 4.269 1.00 0.00 O ATOM 0 H ASP A 99 -5.297 7.555 4.102 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.929 7.705 1.715 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.345 9.017 3.033 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.633 7.929 4.209 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.534 10.461 1.427 1.00 0.00 N ATOM 1333 CA ALA A 100 -6.025 11.659 0.778 1.00 0.00 C ATOM 1334 C ALA A 100 -5.054 12.413 1.687 1.00 0.00 C ATOM 1335 O ALA A 100 -4.119 13.054 1.207 1.00 0.00 O ATOM 1336 CB ALA A 100 -7.176 12.564 0.377 1.00 0.00 C ATOM 0 H ALA A 100 -7.545 10.453 1.558 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.481 11.353 -0.116 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.784 13.458 -0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.832 12.034 -0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.740 12.851 1.265 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.290 12.339 2.997 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.436 13.010 3.970 1.00 0.00 C ATOM 1344 C ALA A 101 -3.200 12.167 4.281 1.00 0.00 C ATOM 1345 O ALA A 101 -2.070 12.647 4.172 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.214 13.308 5.246 1.00 0.00 C ATOM 0 H ALA A 101 -6.067 11.820 3.406 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.104 13.954 3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.562 13.809 5.961 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.061 13.954 5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.577 12.375 5.677 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.418 10.912 4.667 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.309 10.025 4.985 1.00 0.00 C ATOM 1354 C GLY A 102 -2.600 9.123 6.171 1.00 0.00 C ATOM 1355 O GLY A 102 -1.677 8.657 6.848 1.00 0.00 O ATOM 0 H GLY A 102 -4.343 10.493 4.766 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.080 9.411 4.114 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.422 10.621 5.197 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.878 8.868 6.418 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.294 8.020 7.526 1.00 0.00 C ATOM 1361 C ASN A 103 -5.107 6.839 7.006 1.00 0.00 C ATOM 1362 O ASN A 103 -5.207 6.634 5.793 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.131 8.814 8.537 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.388 10.002 9.119 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.588 9.858 10.048 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -4.654 11.187 8.588 1.00 0.00 N ATOM 0 H ASN A 103 -4.648 9.239 5.862 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.398 7.652 8.026 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.041 9.165 8.051 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.437 8.152 9.347 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.191 12.022 8.946 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.322 11.264 7.821 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.685 6.073 7.920 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.486 4.929 7.534 1.00 0.00 C ATOM 1375 C GLY A 104 -6.112 3.686 8.318 1.00 0.00 C ATOM 1376 O GLY A 104 -5.444 3.789 9.349 1.00 0.00 O ATOM 0 H GLY A 104 -5.613 6.224 8.926 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.541 5.154 7.692 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.357 4.739 6.469 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.541 2.495 7.863 1.00 0.00 N ATOM 1381 CA PRO A 105 -6.229 1.227 8.534 1.00 0.00 C ATOM 1382 C PRO A 105 -4.726 1.001 8.666 1.00 0.00 C ATOM 1383 O PRO A 105 -3.937 1.526 7.877 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.850 0.167 7.622 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.904 0.898 6.864 1.00 0.00 C ATOM 1386 CD PRO A 105 -7.377 2.292 6.672 1.00 0.00 C ATOM 0 HA PRO A 105 -6.616 1.203 9.553 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.107 -0.265 6.952 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.274 -0.654 8.200 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.100 0.418 5.905 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.845 0.908 7.414 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.799 2.382 5.753 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -8.183 3.024 6.615 1.00 0.00 H new ATOM 1394 N GLU A 106 -4.344 0.218 9.667 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.940 -0.078 9.934 1.00 0.00 C ATOM 1396 C GLU A 106 -2.307 -0.854 8.781 1.00 0.00 C ATOM 1397 O GLU A 106 -2.985 -1.620 8.094 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.815 -0.878 11.233 1.00 0.00 C ATOM 1399 CG GLU A 106 -1.420 -0.862 11.836 1.00 0.00 C ATOM 1400 CD GLU A 106 -1.335 -1.666 13.113 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -2.048 -1.333 14.084 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.547 -2.635 13.159 1.00 0.00 O ATOM 0 H GLU A 106 -4.994 -0.228 10.314 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.408 0.868 10.036 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.520 -0.479 11.963 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.105 -1.911 11.041 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.709 -1.260 11.111 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.126 0.168 12.038 1.00 0.00 H new ATOM 1409 N GLY A 107 -1.013 -0.645 8.568 1.00 0.00 N ATOM 1410 CA GLY A 107 -0.318 -1.340 7.505 1.00 0.00 C ATOM 1411 C GLY A 107 -0.057 -2.789 7.862 1.00 0.00 C ATOM 1412 O GLY A 107 0.040 -3.133 9.038 1.00 0.00 O ATOM 0 H GLY A 107 -0.434 -0.006 9.113 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.909 -1.291 6.590 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.628 -0.839 7.300 1.00 0.00 H new ATOM 1416 N VAL A 108 0.060 -3.641 6.857 1.00 0.00 N ATOM 1417 CA VAL A 108 0.292 -5.062 7.091 1.00 0.00 C ATOM 1418 C VAL A 108 1.602 -5.503 6.457 1.00 0.00 C ATOM 1419 O VAL A 108 1.823 -5.288 5.268 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.867 -5.919 6.528 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.624 -7.398 6.778 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -2.193 -5.488 7.135 1.00 0.00 C ATOM 0 H VAL A 108 -0.001 -3.378 5.874 1.00 0.00 H new ATOM 0 HA VAL A 108 0.345 -5.211 8.169 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.910 -5.761 5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.454 -7.977 6.372 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.303 -7.702 6.291 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.546 -7.578 7.850 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.996 -6.102 6.727 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.155 -5.612 8.217 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.379 -4.441 6.896 1.00 0.00 H new ATOM 1432 N ALA A 109 2.462 -6.118 7.250 1.00 0.00 N ATOM 1433 CA ALA A 109 3.750 -6.580 6.759 1.00 0.00 C ATOM 1434 C ALA A 109 3.615 -7.929 6.068 1.00 0.00 C ATOM 1435 O ALA A 109 2.784 -8.754 6.449 1.00 0.00 O ATOM 1436 CB ALA A 109 4.753 -6.667 7.899 1.00 0.00 C ATOM 0 H ALA A 109 2.292 -6.309 8.237 1.00 0.00 H new ATOM 0 HA ALA A 109 4.114 -5.858 6.028 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.712 -7.014 7.514 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.878 -5.682 8.350 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.389 -7.367 8.651 1.00 0.00 H new ATOM 1442 N ILE A 110 4.424 -8.144 5.043 1.00 0.00 N ATOM 1443 CA ILE A 110 4.409 -9.391 4.299 1.00 0.00 C ATOM 1444 C ILE A 110 5.834 -9.869 4.060 1.00 0.00 C ATOM 1445 O ILE A 110 6.792 -9.105 4.204 1.00 0.00 O ATOM 1446 CB ILE A 110 3.672 -9.258 2.940 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.279 -8.142 2.083 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.192 -9.002 3.160 1.00 0.00 C ATOM 1449 CD1 ILE A 110 5.217 -8.643 1.005 1.00 0.00 C ATOM 0 H ILE A 110 5.105 -7.463 4.706 1.00 0.00 H new ATOM 0 HA ILE A 110 3.864 -10.119 4.900 1.00 0.00 H new ATOM 0 HB ILE A 110 3.793 -10.200 2.404 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.473 -7.576 1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 110 4.820 -7.452 2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.691 -8.911 2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.758 -9.832 3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.062 -8.079 3.724 1.00 0.00 H new ATOM 0 HD11 ILE A 110 5.607 -7.796 0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.044 -9.184 1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 110 4.676 -9.309 0.333 1.00 0.00 H new ATOM 1461 N SER A 111 5.974 -11.133 3.715 1.00 0.00 N ATOM 1462 CA SER A 111 7.278 -11.714 3.450 1.00 0.00 C ATOM 1463 C SER A 111 7.145 -12.831 2.435 1.00 0.00 C ATOM 1464 O SER A 111 6.103 -13.484 2.361 1.00 0.00 O ATOM 1465 CB SER A 111 7.909 -12.240 4.743 1.00 0.00 C ATOM 1466 OG SER A 111 8.148 -11.179 5.657 1.00 0.00 O ATOM 0 H SER A 111 5.195 -11.783 3.611 1.00 0.00 H new ATOM 0 HA SER A 111 7.930 -10.941 3.045 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.250 -12.978 5.200 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.846 -12.747 4.515 1.00 0.00 H new ATOM 0 HG SER A 111 8.550 -11.537 6.476 1.00 0.00 H new ATOM 1472 N PHE A 112 8.188 -13.039 1.648 1.00 0.00 N ATOM 1473 CA PHE A 112 8.178 -14.079 0.634 1.00 0.00 C ATOM 1474 C PHE A 112 8.763 -15.366 1.200 1.00 0.00 C ATOM 1475 O PHE A 112 9.431 -15.350 2.239 1.00 0.00 O ATOM 1476 CB PHE A 112 8.974 -13.637 -0.596 1.00 0.00 C ATOM 1477 CG PHE A 112 8.590 -12.279 -1.111 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.395 -12.092 -1.781 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.428 -11.193 -0.924 1.00 0.00 C ATOM 1480 CE1 PHE A 112 7.041 -10.842 -2.255 1.00 0.00 C ATOM 1481 CE2 PHE A 112 9.082 -9.943 -1.393 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.886 -9.767 -2.059 1.00 0.00 C ATOM 0 H PHE A 112 9.053 -12.500 1.693 1.00 0.00 H new ATOM 0 HA PHE A 112 7.146 -14.260 0.333 1.00 0.00 H new ATOM 0 HB2 PHE A 112 10.036 -13.635 -0.349 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.834 -14.370 -1.391 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.732 -12.930 -1.936 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.365 -11.326 -0.404 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.106 -10.707 -2.777 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.745 -9.104 -1.240 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.611 -8.789 -2.427 1.00 0.00 H new ATOM 1492 N ASN A 113 8.499 -16.478 0.535 1.00 0.00 N ATOM 1493 CA ASN A 113 9.021 -17.763 0.980 1.00 0.00 C ATOM 1494 C ASN A 113 10.462 -17.922 0.516 1.00 0.00 C ATOM 1495 O ASN A 113 11.326 -18.231 1.358 1.00 0.00 O ATOM 1496 CB ASN A 113 8.159 -18.931 0.473 1.00 0.00 C ATOM 1497 CG ASN A 113 8.084 -19.022 -1.043 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.938 -19.636 -1.688 1.00 0.00 O ATOM 1499 ND2 ASN A 113 7.049 -18.434 -1.619 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.731 -17.708 -0.683 1.00 0.00 O ATOM 0 H ASN A 113 7.930 -16.519 -0.310 1.00 0.00 H new ATOM 0 HA ASN A 113 8.989 -17.784 2.069 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.562 -19.865 0.865 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.150 -18.827 0.872 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.936 -18.479 -2.632 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.364 -17.936 -1.051 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 4.249 5.652 4.586 1.00 20.00 O HETATM 1509 C8A FLN A 114 4.770 6.882 4.199 1.00 20.00 C HETATM 1510 C4A FLN A 114 5.064 7.177 2.857 1.00 20.00 C HETATM 1511 C4 FLN A 114 4.812 6.133 1.827 1.00 20.00 C HETATM 1512 C3 FLN A 114 4.264 4.865 2.308 1.00 20.00 C HETATM 1513 C2 FLN A 114 4.006 4.669 3.628 1.00 20.00 C HETATM 1514 C1' FLN A 114 3.452 3.469 4.354 1.00 20.00 C HETATM 1515 C2' FLN A 114 4.222 2.316 4.510 1.00 20.00 C HETATM 1516 C3' FLN A 114 3.693 1.215 5.186 1.00 20.00 C HETATM 1517 C4' FLN A 114 2.399 1.206 5.729 1.00 20.00 C HETATM 1518 C5' FLN A 114 1.662 2.384 5.549 1.00 20.00 C HETATM 1519 C6' FLN A 114 2.163 3.497 4.881 1.00 20.00 C HETATM 1520 O4 FLN A 114 5.050 6.340 0.631 1.00 20.00 O HETATM 1521 C5 FLN A 114 5.595 8.449 2.527 1.00 20.00 C HETATM 1522 C6 FLN A 114 5.815 9.393 3.543 1.00 20.00 C HETATM 1523 C7 FLN A 114 5.507 9.062 4.881 1.00 20.00 C HETATM 1524 C8 FLN A 114 4.985 7.812 5.212 1.00 20.00 C HETATM 0 H8 FLN A 114 4.749 7.567 6.248 1.00 20.00 H new HETATM 0 H7 FLN A 114 5.680 9.796 5.668 1.00 20.00 H new HETATM 0 H6' FLN A 114 1.547 4.390 4.770 1.00 20.00 H new HETATM 0 H6 FLN A 114 6.221 10.375 3.301 1.00 20.00 H new HETATM 0 H5' FLN A 114 0.650 2.431 5.951 1.00 20.00 H new HETATM 0 H5 FLN A 114 5.831 8.693 1.491 1.00 20.00 H new HETATM 0 H4' FLN A 114 1.995 0.341 6.255 1.00 20.00 H new HETATM 0 H3' FLN A 114 4.311 0.324 5.297 1.00 20.00 H new HETATM 0 H3 FLN A 114 4.059 4.065 1.597 1.00 20.00 H new HETATM 0 H2' FLN A 114 5.233 2.275 4.105 1.00 20.00 H new